data_25135 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25135 _Entry.PDB_ID 2MSV 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 25135 _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 GLU N N 2 120.000 120.000 120.323 -0.323 25135 2 1 1 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.010 -0.030 25135 3 1 1 . 1 1 2 2 GLU C C 2 178.400 178.400 177.612 0.788 25135 4 1 1 . 1 1 2 2 GLU CA C 2 59.400 59.400 59.427 -0.027 25135 5 1 1 . 1 1 2 2 GLU CB C 2 29.200 29.200 29.226 -0.026 25135 6 1 1 . 1 1 2 2 GLU H H 2 8.140 8.140 8.879 -0.739 25135 7 1 1 . 1 1 3 3 ASN N N 3 117.300 117.300 115.461 1.839 25135 8 1 1 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.721 -0.081 25135 9 1 1 . 1 1 3 3 ASN C C 3 177.900 177.900 176.751 1.149 25135 10 1 1 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.595 1.205 25135 11 1 1 . 1 1 3 3 ASN CB C 3 39.000 39.000 38.159 0.841 25135 12 1 1 . 1 1 3 3 ASN H H 3 7.960 7.960 8.688 -0.728 25135 13 1 1 . 1 1 4 4 LEU N N 4 119.700 119.700 122.529 -2.829 25135 14 1 1 . 1 1 4 4 LEU HA H 4 4.030 4.030 3.990 0.040 25135 15 1 1 . 1 1 4 4 LEU C C 4 177.900 177.900 178.384 -0.484 25135 16 1 1 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.627 -0.227 25135 17 1 1 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.807 0.193 25135 18 1 1 . 1 1 4 4 LEU H H 4 8.450 8.450 8.101 0.349 25135 19 1 1 . 1 1 5 5 LYS N N 5 118.200 118.200 116.847 1.353 25135 20 1 1 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.046 -0.106 25135 21 1 1 . 1 1 5 5 LYS C C 5 179.200 179.200 179.582 -0.382 25135 22 1 1 . 1 1 5 5 LYS CA C 5 60.000 60.000 58.600 1.400 25135 23 1 1 . 1 1 5 5 LYS CB C 5 31.900 31.900 31.534 0.366 25135 24 1 1 . 1 1 5 5 LYS H H 5 7.940 7.940 7.878 0.062 25135 25 1 1 . 1 1 6 6 HIS N N 6 118.400 118.400 119.656 -1.256 25135 26 1 1 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.508 -0.088 25135 27 1 1 . 1 1 6 6 HIS C C 6 178.200 178.200 177.665 0.535 25135 28 1 1 . 1 1 6 6 HIS CA C 6 59.100 59.100 58.638 0.462 25135 29 1 1 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.252 0.648 25135 30 1 1 . 1 1 6 6 HIS H H 6 7.710 7.710 7.784 -0.074 25135 31 1 1 . 1 1 7 7 ILE N N 7 120.300 120.300 121.377 -1.077 25135 32 1 1 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.486 -0.046 25135 33 1 1 . 1 1 7 7 ILE C C 7 176.500 176.500 177.486 -0.986 25135 34 1 1 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.529 0.471 25135 35 1 1 . 1 1 7 7 ILE CB C 7 38.700 38.700 37.971 0.730 25135 36 1 1 . 1 1 7 7 ILE H H 7 7.950 7.950 8.291 -0.341 25135 37 1 1 . 1 1 8 8 ILE N N 8 120.200 120.200 119.620 0.580 25135 38 1 1 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.442 0.138 25135 39 1 1 . 1 1 8 8 ILE C C 8 178.000 178.000 177.829 0.171 25135 40 1 1 . 1 1 8 8 ILE CA C 8 65.800 65.800 66.016 -0.216 25135 41 1 1 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.600 1.000 25135 42 1 1 . 1 1 8 8 ILE H H 8 8.450 8.450 8.888 -0.438 25135 43 1 1 . 1 1 9 9 THR N N 9 115.400 115.400 114.572 0.828 25135 44 1 1 . 1 1 9 9 THR HA H 9 3.880 3.880 3.947 -0.067 25135 45 1 1 . 1 1 9 9 THR C C 9 176.300 176.300 176.604 -0.304 25135 46 1 1 . 1 1 9 9 THR CA C 9 66.900 66.900 66.278 0.622 25135 47 1 1 . 1 1 9 9 THR CB C 9 68.800 68.800 68.892 -0.092 25135 48 1 1 . 1 1 9 9 THR H H 9 8.120 8.120 7.457 0.663 25135 49 1 1 . 1 1 10 10 LEU N N 10 122.100 122.100 121.767 0.333 25135 50 1 1 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.070 -0.020 25135 51 1 1 . 1 1 10 10 LEU C C 10 178.800 178.800 178.250 0.550 25135 52 1 1 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.824 1.076 25135 53 1 1 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.193 1.107 25135 54 1 1 . 1 1 10 10 LEU H H 10 7.950 7.950 7.512 0.438 25135 55 1 1 . 1 1 11 11 GLY N N 11 105.800 105.800 105.129 0.671 25135 56 1 1 . 1 1 11 11 GLY C C 11 174.700 174.700 176.055 -1.355 25135 57 1 1 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.081 0.419 25135 58 1 1 . 1 1 11 11 GLY H H 11 8.660 8.660 8.522 0.138 25135 59 1 1 . 1 1 12 12 GLN N N 12 119.600 119.600 119.478 0.122 25135 60 1 1 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.380 -0.390 25135 61 1 1 . 1 1 12 12 GLN C C 12 179.600 179.600 178.631 0.969 25135 62 1 1 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.461 1.839 25135 63 1 1 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.447 -0.547 25135 64 1 1 . 1 1 12 12 GLN H H 12 8.050 8.050 7.533 0.517 25135 65 1 1 . 1 1 13 13 VAL N N 13 122.600 122.600 121.874 0.726 25135 66 1 1 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.674 -0.004 25135 67 1 1 . 1 1 13 13 VAL C C 13 178.500 178.500 177.918 0.582 25135 68 1 1 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.375 0.325 25135 69 1 1 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.187 0.713 25135 70 1 1 . 1 1 13 13 VAL H H 13 8.300 8.300 7.920 0.380 25135 71 1 1 . 1 1 14 14 ILE N N 14 121.000 121.000 119.294 1.706 25135 72 1 1 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.764 -0.294 25135 73 1 1 . 1 1 14 14 ILE C C 14 177.700 177.700 178.417 -0.717 25135 74 1 1 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.112 0.688 25135 75 1 1 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.665 0.735 25135 76 1 1 . 1 1 14 14 ILE H H 14 8.480 8.480 8.550 -0.070 25135 77 1 1 . 1 1 15 15 HIS N N 15 118.900 118.900 118.358 0.542 25135 78 1 1 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.421 -0.521 25135 79 1 1 . 1 1 15 15 HIS C C 15 176.200 176.200 177.096 -0.896 25135 80 1 1 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.085 2.215 25135 81 1 1 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.161 -0.161 25135 82 1 1 . 1 1 15 15 HIS H H 15 8.250 8.250 7.562 0.688 25135 83 1 1 . 1 1 16 16 LYS N N 16 118.500 118.500 120.048 -1.548 25135 84 1 1 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.692 -0.022 25135 85 1 1 . 1 1 16 16 LYS C C 16 179.200 179.200 178.881 0.319 25135 86 1 1 . 1 1 16 16 LYS CA C 16 59.500 59.500 59.153 0.347 25135 87 1 1 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.158 0.342 25135 88 1 1 . 1 1 16 16 LYS H H 16 7.820 7.820 8.171 -0.351 25135 89 1 1 . 1 1 17 17 ARG N N 17 117.600 117.600 118.698 -1.098 25135 90 1 1 . 1 1 17 17 ARG HA H 17 3.960 3.960 4.015 -0.055 25135 91 1 1 . 1 1 17 17 ARG C C 17 180.600 180.600 177.527 3.073 25135 92 1 1 . 1 1 17 17 ARG CA C 17 59.200 59.200 59.019 0.181 25135 93 1 1 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.147 0.353 25135 94 1 1 . 1 1 17 17 ARG H H 17 8.330 8.330 8.819 -0.489 25135 95 1 1 . 1 1 18 18 CYS N N 18 118.100 118.100 114.823 3.277 25135 96 1 1 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.259 -0.369 25135 97 1 1 . 1 1 18 18 CYS C C 18 177.300 177.300 177.783 -0.483 25135 98 1 1 . 1 1 18 18 CYS CA C 18 65.900 65.900 60.553 5.347 25135 99 1 1 . 1 1 18 18 CYS CB C 18 27.600 27.600 28.301 -0.701 25135 100 1 1 . 1 1 18 18 CYS H H 18 8.550 8.550 7.546 1.004 25135 101 1 1 . 1 1 19 19 GLU N N 19 117.900 117.900 120.566 -2.666 25135 102 1 1 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.091 -0.281 25135 103 1 1 . 1 1 19 19 GLU C C 19 177.100 177.100 177.597 -0.497 25135 104 1 1 . 1 1 19 19 GLU CA C 19 58.300 58.300 59.025 -0.725 25135 105 1 1 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.551 0.449 25135 106 1 1 . 1 1 19 19 GLU H H 19 7.540 7.540 7.848 -0.308 25135 107 1 1 . 1 1 20 20 GLU N N 20 115.400 115.400 113.516 1.884 25135 108 1 1 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.382 -0.162 25135 109 1 1 . 1 1 20 20 GLU C C 20 177.100 177.100 176.797 0.303 25135 110 1 1 . 1 1 20 20 GLU CA C 20 55.900 55.900 55.175 0.725 25135 111 1 1 . 1 1 20 20 GLU CB C 20 30.600 30.600 29.428 1.172 25135 112 1 1 . 1 1 20 20 GLU H H 20 7.190 7.190 7.547 -0.357 25135 113 1 1 . 1 1 21 21 MET N N 21 120.500 120.500 120.696 -0.196 25135 114 1 1 . 1 1 21 21 MET HA H 21 4.260 4.260 4.289 -0.029 25135 115 1 1 . 1 1 21 21 MET C C 21 177.800 177.800 176.397 1.403 25135 116 1 1 . 1 1 21 21 MET CA C 21 56.400 56.400 55.928 0.472 25135 117 1 1 . 1 1 21 21 MET CB C 21 33.300 33.300 32.665 0.635 25135 118 1 1 . 1 1 21 21 MET H H 21 6.940 6.940 7.344 -0.404 25135 119 1 1 . 1 1 22 22 LYS N N 22 120.500 120.500 123.075 -2.575 25135 120 1 1 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.282 -0.332 25135 121 1 1 . 1 1 22 22 LYS C C 22 175.400 175.400 175.796 -0.396 25135 122 1 1 . 1 1 22 22 LYS CA C 22 57.000 57.000 56.194 0.806 25135 123 1 1 . 1 1 22 22 LYS CB C 22 33.600 33.600 32.855 0.745 25135 124 1 1 . 1 1 22 22 LYS H H 22 8.760 8.760 8.776 -0.016 25135 125 1 1 . 1 1 23 23 TYR N N 23 115.500 115.500 118.069 -2.569 25135 126 1 1 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.595 0.315 25135 127 1 1 . 1 1 23 23 TYR C C 23 173.700 173.700 174.775 -1.075 25135 128 1 1 . 1 1 23 23 TYR CA C 23 55.000 55.000 57.338 -2.338 25135 129 1 1 . 1 1 23 23 TYR CB C 23 41.900 41.900 41.674 0.226 25135 130 1 1 . 1 1 23 23 TYR H H 23 7.260 7.260 7.389 -0.130 25135 131 1 1 . 1 1 24 24 CYS N N 24 113.600 113.600 117.174 -3.574 25135 132 1 1 . 1 1 24 24 CYS HA H 24 3.700 3.700 4.143 -0.443 25135 133 1 1 . 1 1 24 24 CYS C C 24 174.700 174.700 175.876 -1.176 25135 134 1 1 . 1 1 24 24 CYS CA C 24 60.400 60.400 59.493 0.907 25135 135 1 1 . 1 1 24 24 CYS CB C 24 26.100 26.100 26.633 -0.533 25135 136 1 1 . 1 1 24 24 CYS H H 24 8.720 8.720 9.103 -0.383 25135 137 1 1 . 1 1 25 25 LYS N N 25 115.800 115.800 119.554 -3.754 25135 138 1 1 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.932 -0.352 25135 139 1 1 . 1 1 25 25 LYS C C 25 179.800 179.800 178.646 1.154 25135 140 1 1 . 1 1 25 25 LYS CA C 25 60.700 60.700 59.716 0.984 25135 141 1 1 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.209 1.091 25135 142 1 1 . 1 1 25 25 LYS H H 25 8.050 8.050 8.452 -0.402 25135 143 1 1 . 1 1 26 26 LYS N N 26 121.000 121.000 119.558 1.442 25135 144 1 1 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.857 0.133 25135 145 1 1 . 1 1 26 26 LYS C C 26 181.300 181.300 179.243 2.057 25135 146 1 1 . 1 1 26 26 LYS CA C 26 59.000 59.000 59.922 -0.922 25135 147 1 1 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.963 -1.563 25135 148 1 1 . 1 1 26 26 LYS H H 26 10.600 10.600 8.473 2.127 25135 149 1 1 . 1 1 27 27 GLN N N 27 120.500 120.500 117.294 3.206 25135 150 1 1 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.273 -0.303 25135 151 1 1 . 1 1 27 27 GLN C C 27 180.200 180.200 178.644 1.556 25135 152 1 1 . 1 1 27 27 GLN CA C 27 59.300 59.300 59.319 -0.019 25135 153 1 1 . 1 1 27 27 GLN CB C 27 32.100 32.100 28.445 3.655 25135 154 1 1 . 1 1 27 27 GLN H H 27 9.890 9.890 7.933 1.957 25135 155 1 1 . 1 1 28 28 CYS N N 28 118.800 118.800 119.381 -0.581 25135 156 1 1 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.758 0.452 25135 157 1 1 . 1 1 28 28 CYS C C 28 176.200 176.200 176.858 -0.658 25135 158 1 1 . 1 1 28 28 CYS CA C 28 64.300 64.300 64.296 0.004 25135 159 1 1 . 1 1 28 28 CYS CB C 28 26.800 26.800 26.658 0.142 25135 160 1 1 . 1 1 28 28 CYS H H 28 8.550 8.550 8.509 0.041 25135 161 1 1 . 1 1 29 29 ARG N N 29 119.300 119.300 118.451 0.849 25135 162 1 1 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.965 -0.095 25135 163 1 1 . 1 1 29 29 ARG C C 29 178.900 178.900 178.915 -0.015 25135 164 1 1 . 1 1 29 29 ARG CA C 29 59.300 59.300 60.084 -0.784 25135 165 1 1 . 1 1 29 29 ARG CB C 29 29.200 29.200 29.748 -0.548 25135 166 1 1 . 1 1 29 29 ARG H H 29 8.700 8.700 8.642 0.058 25135 167 1 1 . 1 1 30 30 ARG N N 30 119.700 119.700 119.146 0.554 25135 168 1 1 . 1 1 30 30 ARG HA H 30 3.890 3.890 4.125 -0.235 25135 169 1 1 . 1 1 30 30 ARG C C 30 178.000 178.000 178.609 -0.609 25135 170 1 1 . 1 1 30 30 ARG CA C 30 58.200 58.200 59.144 -0.944 25135 171 1 1 . 1 1 30 30 ARG CB C 30 29.100 29.100 29.375 -0.275 25135 172 1 1 . 1 1 30 30 ARG H H 30 7.810 7.810 7.451 0.359 25135 173 1 1 . 1 1 31 31 LEU N N 31 120.600 120.600 120.929 -0.329 25135 174 1 1 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.648 0.392 25135 175 1 1 . 1 1 31 31 LEU C C 31 178.400 178.400 178.312 0.088 25135 176 1 1 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.874 0.426 25135 177 1 1 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.354 -0.154 25135 178 1 1 . 1 1 31 31 LEU H H 31 7.310 7.310 8.225 -0.915 25135 179 1 1 . 1 1 32 32 GLY N N 32 105.200 105.200 105.542 -0.342 25135 180 1 1 . 1 1 32 32 GLY C C 32 175.600 175.600 175.841 -0.241 25135 181 1 1 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.242 1.159 25135 182 1 1 . 1 1 32 32 GLY H H 32 7.960 7.960 7.968 -0.008 25135 183 1 1 . 1 1 33 33 HIS N N 33 120.500 120.500 122.454 -1.954 25135 184 1 1 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.185 0.045 25135 185 1 1 . 1 1 33 33 HIS C C 33 179.400 179.400 178.025 1.375 25135 186 1 1 . 1 1 33 33 HIS CA C 33 59.600 59.600 59.959 -0.359 25135 187 1 1 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.161 0.439 25135 188 1 1 . 1 1 33 33 HIS H H 33 8.340 8.340 8.500 -0.160 25135 189 1 1 . 1 1 34 34 ARG N N 34 121.900 121.900 118.766 3.134 25135 190 1 1 . 1 1 34 34 ARG HA H 34 3.870 3.870 4.022 -0.152 25135 191 1 1 . 1 1 34 34 ARG C C 34 179.600 179.600 178.476 1.124 25135 192 1 1 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.218 0.282 25135 193 1 1 . 1 1 34 34 ARG CB C 34 30.100 30.100 29.940 0.160 25135 194 1 1 . 1 1 34 34 ARG H H 34 8.680 8.680 8.603 0.077 25135 195 1 1 . 1 1 35 35 VAL N N 35 118.500 118.500 120.882 -2.382 25135 196 1 1 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.444 -0.034 25135 197 1 1 . 1 1 35 35 VAL C C 35 177.600 177.600 177.776 -0.176 25135 198 1 1 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.202 1.598 25135 199 1 1 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.164 0.136 25135 200 1 1 . 1 1 35 35 VAL H H 35 8.500 8.500 8.038 0.462 25135 201 1 1 . 1 1 36 36 LEU N N 36 118.300 118.300 119.305 -1.005 25135 202 1 1 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.770 0.130 25135 203 1 1 . 1 1 36 36 LEU C C 36 179.600 179.600 179.160 0.440 25135 204 1 1 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.799 0.201 25135 205 1 1 . 1 1 36 36 LEU CB C 36 41.400 41.400 40.944 0.456 25135 206 1 1 . 1 1 36 36 LEU H H 36 7.890 7.890 8.763 -0.873 25135 207 1 1 . 1 1 37 37 GLY N N 37 104.900 104.900 104.994 -0.094 25135 208 1 1 . 1 1 37 37 GLY C C 37 175.700 175.700 175.281 0.419 25135 209 1 1 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.562 0.138 25135 210 1 1 . 1 1 37 37 GLY H H 37 7.760 7.760 7.528 0.232 25135 211 1 1 . 1 1 38 38 LEU N N 38 120.500 120.500 120.316 0.184 25135 212 1 1 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.806 -0.216 25135 213 1 1 . 1 1 38 38 LEU C C 38 176.900 176.900 178.232 -1.332 25135 214 1 1 . 1 1 38 38 LEU CA C 38 56.500 56.500 56.061 0.439 25135 215 1 1 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.402 -0.802 25135 216 1 1 . 1 1 38 38 LEU H H 38 7.720 7.720 7.418 0.302 25135 217 1 1 . 1 1 39 39 ILE N N 39 108.700 108.700 116.173 -7.473 25135 218 1 1 . 1 1 39 39 ILE HA H 39 4.190 4.190 3.951 0.239 25135 219 1 1 . 1 1 39 39 ILE C C 39 178.100 178.100 177.101 0.999 25135 220 1 1 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.741 -1.041 25135 221 1 1 . 1 1 39 39 ILE CB C 39 38.500 38.500 37.846 0.654 25135 222 1 1 . 1 1 39 39 ILE H H 39 7.540 7.540 7.082 0.458 25135 223 1 1 . 1 1 40 40 LYS N N 40 122.800 122.800 122.581 0.219 25135 224 1 1 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.471 -0.041 25135 225 1 1 . 1 1 40 40 LYS CA C 40 60.700 60.700 59.557 1.143 25135 226 1 1 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.318 0.082 25135 227 1 1 . 1 1 40 40 LYS H H 40 7.600 7.600 8.335 -0.735 25135 228 1 1 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.283 0.147 25135 229 1 1 . 1 1 41 41 PRO C C 41 178.700 178.700 178.888 -0.188 25135 230 1 1 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.840 -0.340 25135 231 1 1 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.385 0.215 25135 232 1 1 . 1 1 42 42 LEU N N 42 114.400 114.400 117.673 -3.273 25135 233 1 1 . 1 1 42 42 LEU HA H 42 4.060 4.060 3.966 0.094 25135 234 1 1 . 1 1 42 42 LEU C C 42 178.800 178.800 179.090 -0.290 25135 235 1 1 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.808 -0.708 25135 236 1 1 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.178 -0.878 25135 237 1 1 . 1 1 42 42 LEU H H 42 7.200 7.200 7.738 -0.538 25135 238 1 1 . 1 1 43 43 GLU N N 43 119.200 119.200 118.657 0.543 25135 239 1 1 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.936 -0.016 25135 240 1 1 . 1 1 43 43 GLU C C 43 179.100 179.100 178.871 0.229 25135 241 1 1 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.439 0.061 25135 242 1 1 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.305 0.795 25135 243 1 1 . 1 1 43 43 GLU H H 43 8.120 8.120 8.049 0.071 25135 244 1 1 . 1 1 44 44 MET N N 44 116.500 116.500 116.204 0.296 25135 245 1 1 . 1 1 44 44 MET HA H 44 4.310 4.310 4.246 0.064 25135 246 1 1 . 1 1 44 44 MET C C 44 177.900 177.900 177.814 0.086 25135 247 1 1 . 1 1 44 44 MET CA C 44 57.600 57.600 57.984 -0.384 25135 248 1 1 . 1 1 44 44 MET CB C 44 32.500 32.500 32.856 -0.356 25135 249 1 1 . 1 1 44 44 MET H H 44 7.600 7.600 7.619 -0.019 25135 250 1 1 . 1 1 45 45 LEU N N 45 119.900 119.900 119.117 0.783 25135 251 1 1 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.205 -0.055 25135 252 1 1 . 1 1 45 45 LEU C C 45 178.000 178.000 179.496 -1.496 25135 253 1 1 . 1 1 45 45 LEU CA C 45 56.600 56.600 58.457 -1.857 25135 254 1 1 . 1 1 45 45 LEU CB C 45 42.000 42.000 42.308 -0.308 25135 255 1 1 . 1 1 45 45 LEU H H 45 7.620 7.620 7.955 -0.335 25135 256 1 1 . 1 1 46 46 GLN N N 46 118.300 118.300 118.644 -0.344 25135 257 1 1 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.092 -0.072 25135 258 1 1 . 1 1 46 46 GLN C C 46 176.500 176.500 177.195 -0.695 25135 259 1 1 . 1 1 46 46 GLN CA C 46 57.700 57.700 58.343 -0.643 25135 260 1 1 . 1 1 46 46 GLN CB C 46 29.500 29.500 28.151 1.349 25135 261 1 1 . 1 1 46 46 GLN H H 46 7.950 7.950 8.573 -0.623 25135 262 1 1 . 1 1 47 47 ASP N N 47 119.000 119.000 118.610 0.390 25135 263 1 1 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.562 0.008 25135 264 1 1 . 1 1 47 47 ASP C C 47 176.900 176.900 176.887 0.013 25135 265 1 1 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.276 -0.976 25135 266 1 1 . 1 1 47 47 ASP CB C 47 41.300 41.300 41.311 -0.011 25135 267 1 1 . 1 1 47 47 ASP H H 47 7.890 7.890 7.906 -0.016 25135 268 1 1 . 1 1 48 48 GLN N N 48 119.500 119.500 117.417 2.083 25135 269 1 1 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.489 -0.259 25135 270 1 1 . 1 1 48 48 GLN C C 48 177.200 177.200 176.420 0.780 25135 271 1 1 . 1 1 48 48 GLN CA C 48 56.700 56.700 54.631 2.069 25135 272 1 1 . 1 1 48 48 GLN CB C 48 29.300 29.300 28.436 0.864 25135 273 1 1 . 1 1 48 48 GLN H H 48 8.080 8.080 7.694 0.387 25135 274 1 1 . 1 1 49 49 GLY N N 49 108.100 108.100 107.921 0.179 25135 275 1 1 . 1 1 49 49 GLY C C 49 174.300 174.300 173.889 0.411 25135 276 1 1 . 1 1 49 49 GLY CA C 49 46.000 46.000 44.775 1.225 25135 277 1 1 . 1 1 49 49 GLY H H 49 8.270 8.270 7.718 0.552 25135 278 1 1 . 1 1 50 50 LYS N N 50 120.200 120.200 119.409 0.791 25135 279 1 1 . 1 1 50 50 LYS HA H 50 4.320 4.320 3.969 0.351 25135 280 1 1 . 1 1 50 50 LYS C C 50 176.400 176.400 175.816 0.584 25135 281 1 1 . 1 1 50 50 LYS CA C 50 56.500 56.500 56.915 -0.415 25135 282 1 1 . 1 1 50 50 LYS CB C 50 32.900 32.900 31.377 1.523 25135 283 1 1 . 1 1 50 50 LYS H H 50 8.130 8.130 8.133 -0.003 25135 284 1 1 . 1 1 51 51 ARG N N 51 121.300 121.300 120.624 0.676 25135 285 1 1 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.038 0.422 25135 286 1 1 . 1 1 51 51 ARG C C 51 176.100 176.100 174.061 2.039 25135 287 1 1 . 1 1 51 51 ARG CA C 51 56.000 56.000 57.095 -1.095 25135 288 1 1 . 1 1 51 51 ARG CB C 51 31.200 31.200 30.836 0.364 25135 289 1 1 . 1 1 51 51 ARG H H 51 8.260 8.260 8.427 -0.167 25135 290 1 1 . 1 1 52 52 SER N N 52 116.900 116.900 114.800 2.100 25135 291 1 1 . 1 1 52 52 SER HA H 52 4.550 4.550 4.533 0.017 25135 292 1 1 . 1 1 52 52 SER C C 52 173.900 173.900 173.211 0.689 25135 293 1 1 . 1 1 52 52 SER CA C 52 57.800 57.800 58.083 -0.283 25135 294 1 1 . 1 1 52 52 SER CB C 52 64.300 64.300 63.654 0.646 25135 295 1 1 . 1 1 52 52 SER H H 52 8.150 8.150 8.426 -0.276 25135 296 1 1 . 1 1 53 53 VAL N N 53 124.300 124.300 125.537 -1.237 25135 297 1 1 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.244 0.046 25135 298 1 1 . 1 1 53 53 VAL CA C 53 60.400 60.400 59.732 0.668 25135 299 1 1 . 1 1 53 53 VAL CB C 53 32.500 32.500 32.545 -0.045 25135 300 1 1 . 1 1 53 53 VAL H H 53 8.420 8.420 8.218 0.202 25135 301 1 1 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.621 -0.131 25135 302 1 1 . 1 1 54 54 PRO C C 54 176.600 176.600 176.211 0.389 25135 303 1 1 . 1 1 54 54 PRO CA C 54 62.500 62.500 61.924 0.576 25135 304 1 1 . 1 1 54 54 PRO CB C 54 32.600 32.600 30.869 1.731 25135 305 1 1 . 1 1 55 55 SER N N 55 119.500 119.500 118.301 1.199 25135 306 1 1 . 1 1 55 55 SER HA H 55 4.370 4.370 4.262 0.108 25135 307 1 1 . 1 1 55 55 SER C C 55 175.500 175.500 176.166 -0.666 25135 308 1 1 . 1 1 55 55 SER CA C 55 58.200 58.200 57.958 0.242 25135 309 1 1 . 1 1 55 55 SER CB C 55 64.200 64.200 64.856 -0.657 25135 310 1 1 . 1 1 55 55 SER H H 55 8.970 8.970 7.860 1.110 25135 311 1 1 . 1 1 56 56 GLU N N 56 123.000 123.000 122.436 0.564 25135 312 1 1 . 1 1 56 56 GLU HA H 56 4.140 4.140 4.014 0.126 25135 313 1 1 . 1 1 56 56 GLU C C 56 179.300 179.300 178.585 0.715 25135 314 1 1 . 1 1 56 56 GLU CA C 56 59.700 59.700 60.074 -0.374 25135 315 1 1 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.632 -0.432 25135 316 1 1 . 1 1 56 56 GLU H H 56 9.030 9.030 8.933 0.097 25135 317 1 1 . 1 1 57 57 LYS N N 57 118.900 118.900 118.711 0.189 25135 318 1 1 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.182 -0.182 25135 319 1 1 . 1 1 57 57 LYS C C 57 179.400 179.400 178.612 0.788 25135 320 1 1 . 1 1 57 57 LYS CA C 57 59.600 59.600 58.774 0.826 25135 321 1 1 . 1 1 57 57 LYS CB C 57 32.700 32.700 31.260 1.440 25135 322 1 1 . 1 1 57 57 LYS H H 57 8.150 8.150 8.420 -0.270 25135 323 1 1 . 1 1 58 58 LEU N N 58 122.800 122.800 121.036 1.764 25135 324 1 1 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.119 -0.019 25135 325 1 1 . 1 1 58 58 LEU C C 58 178.200 178.200 178.594 -0.394 25135 326 1 1 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.062 0.238 25135 327 1 1 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.353 -0.853 25135 328 1 1 . 1 1 58 58 LEU H H 58 8.420 8.420 7.905 0.515 25135 329 1 1 . 1 1 59 59 THR N N 59 117.800 117.800 113.378 4.422 25135 330 1 1 . 1 1 59 59 THR HA H 59 3.730 3.730 4.057 -0.327 25135 331 1 1 . 1 1 59 59 THR C C 59 176.800 176.800 176.709 0.091 25135 332 1 1 . 1 1 59 59 THR CA C 59 67.500 67.500 67.064 0.436 25135 333 1 1 . 1 1 59 59 THR CB C 59 68.400 68.400 68.233 0.167 25135 334 1 1 . 1 1 59 59 THR H H 59 8.600 8.600 8.480 0.120 25135 335 1 1 . 1 1 60 60 THR N N 60 118.300 118.300 117.756 0.544 25135 336 1 1 . 1 1 60 60 THR HA H 60 3.980 3.980 4.046 -0.066 25135 337 1 1 . 1 1 60 60 THR C C 60 176.400 176.400 175.910 0.490 25135 338 1 1 . 1 1 60 60 THR CA C 60 66.900 66.900 66.792 0.108 25135 339 1 1 . 1 1 60 60 THR CB C 60 68.400 68.400 68.625 -0.225 25135 340 1 1 . 1 1 60 60 THR H H 60 8.390 8.390 7.561 0.829 25135 341 1 1 . 1 1 61 61 ALA N N 61 124.900 124.900 125.214 -0.314 25135 342 1 1 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.168 -0.048 25135 343 1 1 . 1 1 61 61 ALA C C 61 180.000 180.000 179.530 0.470 25135 344 1 1 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.167 0.633 25135 345 1 1 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.479 0.321 25135 346 1 1 . 1 1 61 61 ALA H H 61 8.090 8.090 7.856 0.234 25135 347 1 1 . 1 1 62 62 MET N N 62 118.300 118.300 117.588 0.712 25135 348 1 1 . 1 1 62 62 MET HA H 62 4.110 4.110 4.235 -0.125 25135 349 1 1 . 1 1 62 62 MET C C 62 178.300 178.300 178.742 -0.442 25135 350 1 1 . 1 1 62 62 MET CA C 62 59.600 59.600 59.763 -0.163 25135 351 1 1 . 1 1 62 62 MET CB C 62 32.500 32.500 32.232 0.268 25135 352 1 1 . 1 1 62 62 MET H H 62 8.820 8.820 8.614 0.206 25135 353 1 1 . 1 1 63 63 ASN N N 63 119.500 119.500 118.561 0.939 25135 354 1 1 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.523 0.057 25135 355 1 1 . 1 1 63 63 ASN C C 63 179.000 179.000 177.836 1.164 25135 356 1 1 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.757 -0.457 25135 357 1 1 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.354 -0.654 25135 358 1 1 . 1 1 63 63 ASN H H 63 8.320 8.320 8.785 -0.465 25135 359 1 1 . 1 1 64 64 ARG N N 64 122.500 122.500 120.092 2.408 25135 360 1 1 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.085 0.105 25135 361 1 1 . 1 1 64 64 ARG C C 64 179.300 179.300 178.723 0.577 25135 362 1 1 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.734 -0.034 25135 363 1 1 . 1 1 64 64 ARG CB C 64 30.700 30.700 30.074 0.626 25135 364 1 1 . 1 1 64 64 ARG H H 64 8.560 8.560 8.256 0.304 25135 365 1 1 . 1 1 65 65 PHE N N 65 123.100 123.100 122.298 0.802 25135 366 1 1 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.301 0.169 25135 367 1 1 . 1 1 65 65 PHE C C 65 176.400 176.400 176.922 -0.522 25135 368 1 1 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.420 1.180 25135 369 1 1 . 1 1 65 65 PHE CB C 65 39.400 39.400 38.948 0.452 25135 370 1 1 . 1 1 65 65 PHE H H 65 8.560 8.560 8.845 -0.285 25135 371 1 1 . 1 1 66 66 LYS N N 66 119.800 119.800 119.674 0.126 25135 372 1 1 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.731 -0.111 25135 373 1 1 . 1 1 66 66 LYS C C 66 177.600 177.600 178.803 -1.203 25135 374 1 1 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.636 1.064 25135 375 1 1 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.258 0.242 25135 376 1 1 . 1 1 66 66 LYS H H 66 8.610 8.610 8.873 -0.263 25135 377 1 1 . 1 1 67 67 ALA N N 67 119.000 119.000 121.107 -2.107 25135 378 1 1 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.368 -0.138 25135 379 1 1 . 1 1 67 67 ALA C C 67 180.400 180.400 179.298 1.102 25135 380 1 1 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.541 0.459 25135 381 1 1 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.504 -0.504 25135 382 1 1 . 1 1 67 67 ALA H H 67 8.000 8.000 8.244 -0.244 25135 383 1 1 . 1 1 68 68 ALA N N 68 122.200 122.200 121.989 0.211 25135 384 1 1 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.020 0.170 25135 385 1 1 . 1 1 68 68 ALA C C 68 179.800 179.800 179.770 0.030 25135 386 1 1 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.907 0.293 25135 387 1 1 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.432 -0.632 25135 388 1 1 . 1 1 68 68 ALA H H 68 7.950 7.950 8.376 -0.426 25135 389 1 1 . 1 1 69 69 LEU N N 69 118.900 118.900 118.631 0.269 25135 390 1 1 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.814 0.036 25135 391 1 1 . 1 1 69 69 LEU C C 69 179.200 179.200 178.423 0.777 25135 392 1 1 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.280 -0.780 25135 393 1 1 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.367 0.034 25135 394 1 1 . 1 1 69 69 LEU H H 69 8.020 8.020 8.523 -0.503 25135 395 1 1 . 1 1 70 70 GLU N N 70 120.500 120.500 118.276 2.224 25135 396 1 1 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.842 0.098 25135 397 1 1 . 1 1 70 70 GLU C C 70 180.500 180.500 178.691 1.809 25135 398 1 1 . 1 1 70 70 GLU CA C 70 59.900 59.900 59.658 0.242 25135 399 1 1 . 1 1 70 70 GLU CB C 70 29.200 29.200 28.486 0.714 25135 400 1 1 . 1 1 70 70 GLU H H 70 8.590 8.590 8.149 0.441 25135 401 1 1 . 1 1 71 71 GLU N N 71 122.200 122.200 119.930 2.270 25135 402 1 1 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.094 -0.024 25135 403 1 1 . 1 1 71 71 GLU C C 71 179.600 179.600 178.685 0.915 25135 404 1 1 . 1 1 71 71 GLU CA C 71 59.400 59.400 58.915 0.485 25135 405 1 1 . 1 1 71 71 GLU CB C 71 29.400 29.400 28.402 0.998 25135 406 1 1 . 1 1 71 71 GLU H H 71 8.300 8.300 7.599 0.701 25135 407 1 1 . 1 1 72 72 ALA N N 72 122.800 122.800 123.149 -0.349 25135 408 1 1 . 1 1 72 72 ALA HA H 72 3.890 3.890 4.042 -0.152 25135 409 1 1 . 1 1 72 72 ALA C C 72 178.500 178.500 179.992 -1.492 25135 410 1 1 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.170 0.530 25135 411 1 1 . 1 1 72 72 ALA CB C 72 17.200 17.200 17.993 -0.793 25135 412 1 1 . 1 1 72 72 ALA H H 72 8.330 8.330 7.650 0.680 25135 413 1 1 . 1 1 73 73 ASN N N 73 115.700 115.700 117.434 -1.734 25135 414 1 1 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.353 0.097 25135 415 1 1 . 1 1 73 73 ASN C C 73 177.600 177.600 178.061 -0.461 25135 416 1 1 . 1 1 73 73 ASN CA C 73 56.300 56.300 56.072 0.228 25135 417 1 1 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.110 0.790 25135 418 1 1 . 1 1 73 73 ASN H H 73 8.460 8.460 8.717 -0.257 25135 419 1 1 . 1 1 74 74 GLY N N 74 105.500 105.500 108.209 -2.709 25135 420 1 1 . 1 1 74 74 GLY C C 74 177.100 177.100 176.366 0.734 25135 421 1 1 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.922 0.078 25135 422 1 1 . 1 1 74 74 GLY H H 74 8.070 8.070 8.582 -0.512 25135 423 1 1 . 1 1 75 75 GLU N N 75 123.500 123.500 122.779 0.721 25135 424 1 1 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.951 0.159 25135 425 1 1 . 1 1 75 75 GLU C C 75 178.500 178.500 179.306 -0.806 25135 426 1 1 . 1 1 75 75 GLU CA C 75 58.700 58.700 59.337 -0.637 25135 427 1 1 . 1 1 75 75 GLU CB C 75 29.900 29.900 29.721 0.179 25135 428 1 1 . 1 1 75 75 GLU H H 75 8.110 8.110 8.381 -0.271 25135 429 1 1 . 1 1 76 76 ILE N N 76 120.300 120.300 119.333 0.967 25135 430 1 1 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.933 -0.113 25135 431 1 1 . 1 1 76 76 ILE C C 76 178.300 178.300 178.187 0.113 25135 432 1 1 . 1 1 76 76 ILE CA C 76 65.500 65.500 65.321 0.179 25135 433 1 1 . 1 1 76 76 ILE CB C 76 37.900 37.900 38.051 -0.151 25135 434 1 1 . 1 1 76 76 ILE H H 76 8.330 8.330 8.712 -0.382 25135 435 1 1 . 1 1 77 77 GLU N N 77 119.400 119.400 120.877 -1.477 25135 436 1 1 . 1 1 77 77 GLU HA H 77 3.920 3.920 4.101 -0.181 25135 437 1 1 . 1 1 77 77 GLU C C 77 180.200 180.200 179.349 0.851 25135 438 1 1 . 1 1 77 77 GLU CA C 77 59.700 59.700 59.062 0.638 25135 439 1 1 . 1 1 77 77 GLU CB C 77 29.300 29.300 29.733 -0.433 25135 440 1 1 . 1 1 77 77 GLU H H 77 7.860 7.860 8.100 -0.240 25135 441 1 1 . 1 1 78 78 LYS N N 78 121.600 121.600 119.775 1.825 25135 442 1 1 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.008 -0.108 25135 443 1 1 . 1 1 78 78 LYS C C 78 179.200 179.200 178.766 0.434 25135 444 1 1 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.783 1.117 25135 445 1 1 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.224 0.076 25135 446 1 1 . 1 1 78 78 LYS H H 78 7.760 7.760 8.386 -0.626 25135 447 1 1 . 1 1 79 79 PHE N N 79 115.900 115.900 116.107 -0.207 25135 448 1 1 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.597 0.083 25135 449 1 1 . 1 1 79 79 PHE C C 79 174.100 174.100 176.387 -2.287 25135 450 1 1 . 1 1 79 79 PHE CA C 79 58.200 58.200 57.944 0.256 25135 451 1 1 . 1 1 79 79 PHE CB C 79 36.900 36.900 39.279 -2.379 25135 452 1 1 . 1 1 79 79 PHE H H 79 8.170 8.170 7.639 0.531 25135 453 1 1 . 1 1 80 80 SER N N 80 113.300 113.300 114.668 -1.368 25135 454 1 1 . 1 1 80 80 SER HA H 80 4.500 4.500 4.200 0.300 25135 455 1 1 . 1 1 80 80 SER C C 80 173.700 173.700 174.610 -0.910 25135 456 1 1 . 1 1 80 80 SER CA C 80 60.500 60.500 60.837 -0.338 25135 457 1 1 . 1 1 80 80 SER CB C 80 63.400 63.400 63.557 -0.157 25135 458 1 1 . 1 1 80 80 SER H H 80 7.700 7.700 7.562 0.138 25135 459 1 1 . 1 1 81 81 ASN N N 81 119.500 119.500 119.638 -0.138 25135 460 1 1 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.680 0.290 25135 461 1 1 . 1 1 81 81 ASN CA C 81 52.100 52.100 52.668 -0.568 25135 462 1 1 . 1 1 81 81 ASN CB C 81 40.300 40.300 38.811 1.489 25135 463 1 1 . 1 1 81 81 ASN H H 81 7.290 7.290 7.714 -0.424 25135 464 1 1 . 1 1 82 82 ARG N N 82 127.400 127.400 127.904 -0.504 25135 465 1 1 . 1 1 82 82 ARG HA H 82 3.590 3.590 3.074 0.516 25135 466 1 1 . 1 1 82 82 ARG C C 82 177.700 177.700 177.419 0.281 25135 467 1 1 . 1 1 82 82 ARG CA C 82 59.800 59.800 59.313 0.487 25135 468 1 1 . 1 1 82 82 ARG CB C 82 30.100 30.100 29.062 1.038 25135 469 1 1 . 1 1 82 82 ARG H H 82 9.050 9.050 8.498 0.552 25135 470 1 1 . 1 1 83 83 SER N N 83 114.600 114.600 114.309 0.291 25135 471 1 1 . 1 1 83 83 SER HA H 83 3.930 3.930 4.164 -0.234 25135 472 1 1 . 1 1 83 83 SER C C 83 177.100 177.100 176.388 0.712 25135 473 1 1 . 1 1 83 83 SER CA C 83 62.200 62.200 61.652 0.548 25135 474 1 1 . 1 1 83 83 SER CB C 83 62.000 62.000 62.883 -0.883 25135 475 1 1 . 1 1 83 83 SER H H 83 8.390 8.390 8.379 0.011 25135 476 1 1 . 1 1 84 84 ASN N N 84 119.700 119.700 120.099 -0.399 25135 477 1 1 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.649 -0.049 25135 478 1 1 . 1 1 84 84 ASN C C 84 179.100 179.100 177.597 1.503 25135 479 1 1 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.719 -0.319 25135 480 1 1 . 1 1 84 84 ASN CB C 84 37.600 37.600 38.453 -0.854 25135 481 1 1 . 1 1 84 84 ASN H H 84 7.980 7.980 8.158 -0.178 25135 482 1 1 . 1 1 85 85 ILE N N 85 122.100 122.100 121.954 0.146 25135 483 1 1 . 1 1 85 85 ILE HA H 85 3.820 3.820 3.992 -0.172 25135 484 1 1 . 1 1 85 85 ILE C C 85 176.900 176.900 177.727 -0.827 25135 485 1 1 . 1 1 85 85 ILE CA C 85 64.700 64.700 65.482 -0.782 25135 486 1 1 . 1 1 85 85 ILE CB C 85 37.400 37.400 36.898 0.502 25135 487 1 1 . 1 1 85 85 ILE H H 85 7.760 7.760 7.714 0.046 25135 488 1 1 . 1 1 86 86 CYS N N 86 119.200 119.200 116.721 2.479 25135 489 1 1 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.985 -0.045 25135 490 1 1 . 1 1 86 86 CYS C C 86 177.400 177.400 176.685 0.715 25135 491 1 1 . 1 1 86 86 CYS CA C 86 63.800 63.800 64.192 -0.392 25135 492 1 1 . 1 1 86 86 CYS CB C 86 26.900 26.900 27.655 -0.756 25135 493 1 1 . 1 1 86 86 CYS H H 86 8.330 8.330 8.130 0.200 25135 494 1 1 . 1 1 87 87 ARG N N 87 119.200 119.200 119.905 -0.705 25135 495 1 1 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.247 -0.227 25135 496 1 1 . 1 1 87 87 ARG C C 87 178.500 178.500 177.704 0.796 25135 497 1 1 . 1 1 87 87 ARG CA C 87 59.500 59.500 58.429 1.071 25135 498 1 1 . 1 1 87 87 ARG CB C 87 30.300 30.300 29.341 0.959 25135 499 1 1 . 1 1 87 87 ARG H H 87 7.900 7.900 7.752 0.148 25135 500 1 1 . 1 1 88 88 PHE N N 88 120.300 120.300 120.777 -0.477 25135 501 1 1 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.641 -0.421 25135 502 1 1 . 1 1 88 88 PHE C C 88 177.200 177.200 176.124 1.076 25135 503 1 1 . 1 1 88 88 PHE CA C 88 61.500 61.500 59.531 1.969 25135 504 1 1 . 1 1 88 88 PHE CB C 88 39.800 39.800 39.972 -0.172 25135 505 1 1 . 1 1 88 88 PHE H H 88 7.760 7.760 8.060 -0.300 25135 506 1 1 . 1 1 89 89 LEU N N 89 117.900 117.900 119.680 -1.780 25135 507 1 1 . 1 1 89 89 LEU HA H 89 3.640 3.640 3.223 0.417 25135 508 1 1 . 1 1 89 89 LEU C C 89 178.700 178.700 178.494 0.206 25135 509 1 1 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.197 0.204 25135 510 1 1 . 1 1 89 89 LEU CB C 89 41.600 41.600 40.883 0.717 25135 511 1 1 . 1 1 89 89 LEU H H 89 8.590 8.590 8.270 0.320 25135 512 1 1 . 1 1 90 90 THR N N 90 112.000 112.000 111.920 0.080 25135 513 1 1 . 1 1 90 90 THR HA H 90 3.980 3.980 4.102 -0.122 25135 514 1 1 . 1 1 90 90 THR C C 90 174.900 174.900 175.943 -1.043 25135 515 1 1 . 1 1 90 90 THR CA C 90 65.200 65.200 64.727 0.473 25135 516 1 1 . 1 1 90 90 THR CB C 90 69.300 69.300 69.411 -0.111 25135 517 1 1 . 1 1 90 90 THR H H 90 7.690 7.690 7.720 -0.030 25135 518 1 1 . 1 1 91 91 ALA N N 91 122.400 122.400 121.501 0.899 25135 519 1 1 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.344 -0.074 25135 520 1 1 . 1 1 91 91 ALA C C 91 177.500 177.500 177.470 0.030 25135 521 1 1 . 1 1 91 91 ALA CA C 91 53.000 53.000 52.499 0.501 25135 522 1 1 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.380 0.620 25135 523 1 1 . 1 1 91 91 ALA H H 91 7.220 7.220 7.506 -0.286 25135 524 1 1 . 1 1 92 92 SER N N 92 112.900 112.900 112.762 0.138 25135 525 1 1 . 1 1 92 92 SER HA H 92 4.130 4.130 4.171 -0.041 25135 526 1 1 . 1 1 92 92 SER CA C 92 57.600 57.600 58.787 -1.187 25135 527 1 1 . 1 1 92 92 SER CB C 92 64.000 64.000 61.580 2.420 25135 528 1 1 . 1 1 92 92 SER H H 92 7.510 7.510 7.938 -0.428 25135 529 1 1 . 1 1 93 93 GLN N N 93 125.700 125.700 122.937 2.763 25135 530 1 1 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.206 -0.006 25135 531 1 1 . 1 1 93 93 GLN C C 93 176.700 176.700 176.612 0.088 25135 532 1 1 . 1 1 93 93 GLN CA C 93 57.700 57.700 58.889 -1.189 25135 533 1 1 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.521 -0.521 25135 534 1 1 . 1 1 93 93 GLN H H 93 8.710 8.710 8.453 0.257 25135 535 1 1 . 1 1 94 94 ASP N N 94 116.400 116.400 115.307 1.093 25135 536 1 1 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.782 -0.222 25135 537 1 1 . 1 1 94 94 ASP CA C 94 54.000 54.000 54.082 -0.082 25135 538 1 1 . 1 1 94 94 ASP CB C 94 41.700 41.700 41.530 0.170 25135 539 1 1 . 1 1 94 94 ASP H H 94 7.800 7.800 8.657 -0.857 25135 540 1 1 . 1 1 95 95 LYS N N 95 114.300 114.300 116.259 -1.959 25135 541 1 1 . 1 1 95 95 LYS H H 95 8.290 8.290 8.801 -0.511 25135 542 1 1 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.435 -0.115 25135 543 1 1 . 1 1 96 96 ILE C C 96 177.000 177.000 176.924 0.076 25135 544 1 1 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.659 1.141 25135 545 1 1 . 1 1 96 96 ILE CB C 96 38.100 38.100 40.435 -2.335 25135 546 1 1 . 1 1 97 97 LEU N N 97 131.100 131.100 126.727 4.373 25135 547 1 1 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.393 -0.273 25135 548 1 1 . 1 1 97 97 LEU C C 97 177.200 177.200 177.685 -0.485 25135 549 1 1 . 1 1 97 97 LEU CA C 97 58.000 58.000 58.427 -0.427 25135 550 1 1 . 1 1 97 97 LEU CB C 97 42.900 42.900 41.794 1.106 25135 551 1 1 . 1 1 97 97 LEU H H 97 8.620 8.620 8.993 -0.373 25135 552 1 1 . 1 1 98 98 PHE N N 98 113.600 113.600 110.952 2.648 25135 553 1 1 . 1 1 98 98 PHE HA H 98 5.100 5.100 4.902 0.198 25135 554 1 1 . 1 1 98 98 PHE C C 98 175.400 175.400 175.292 0.108 25135 555 1 1 . 1 1 98 98 PHE CA C 98 55.700 55.700 54.955 0.745 25135 556 1 1 . 1 1 98 98 PHE CB C 98 37.600 37.600 37.083 0.517 25135 557 1 1 . 1 1 98 98 PHE H H 98 8.450 8.450 7.575 0.875 25135 558 1 1 . 1 1 99 99 LYS N N 99 119.500 119.500 123.907 -4.407 25135 559 1 1 . 1 1 99 99 LYS HA H 99 3.880 3.880 4.029 -0.149 25135 560 1 1 . 1 1 99 99 LYS C C 99 178.900 178.900 177.963 0.937 25135 561 1 1 . 1 1 99 99 LYS CA C 99 61.100 61.100 59.437 1.663 25135 562 1 1 . 1 1 99 99 LYS CB C 99 33.500 33.500 32.189 1.311 25135 563 1 1 . 1 1 99 99 LYS H H 99 6.790 6.790 7.270 -0.480 25135 564 1 1 . 1 1 100 100 ASP N N 100 117.800 117.800 119.194 -1.394 25135 565 1 1 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.432 0.178 25135 566 1 1 . 1 1 100 100 ASP C C 100 179.000 179.000 178.833 0.167 25135 567 1 1 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.886 -0.086 25135 568 1 1 . 1 1 100 100 ASP CB C 100 40.400 40.400 40.162 0.238 25135 569 1 1 . 1 1 100 100 ASP H H 100 8.520 8.520 8.838 -0.318 25135 570 1 1 . 1 1 101 101 VAL N N 101 122.600 122.600 119.222 3.378 25135 571 1 1 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.814 0.046 25135 572 1 1 . 1 1 101 101 VAL C C 101 177.100 177.100 177.898 -0.798 25135 573 1 1 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.180 -0.480 25135 574 1 1 . 1 1 101 101 VAL CB C 101 32.300 32.300 31.987 0.313 25135 575 1 1 . 1 1 101 101 VAL H H 101 8.210 8.210 7.821 0.389 25135 576 1 1 . 1 1 102 102 ASN N N 102 121.000 121.000 118.469 2.531 25135 577 1 1 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.844 -0.284 25135 578 1 1 . 1 1 102 102 ASN C C 102 178.500 178.500 178.374 0.126 25135 579 1 1 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.692 -0.492 25135 580 1 1 . 1 1 102 102 ASN CB C 102 37.900 37.900 38.574 -0.674 25135 581 1 1 . 1 1 102 102 ASN H H 102 9.060 9.060 8.465 0.595 25135 582 1 1 . 1 1 103 103 ARG N N 103 120.700 120.700 118.799 1.901 25135 583 1 1 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.216 -0.056 25135 584 1 1 . 1 1 103 103 ARG C C 103 177.900 177.900 177.877 0.023 25135 585 1 1 . 1 1 103 103 ARG CA C 103 59.100 59.100 59.369 -0.269 25135 586 1 1 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.703 -0.803 25135 587 1 1 . 1 1 103 103 ARG H H 103 7.640 7.640 8.184 -0.544 25135 588 1 1 . 1 1 104 104 LYS N N 104 119.700 119.700 120.805 -1.105 25135 589 1 1 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.305 -0.115 25135 590 1 1 . 1 1 104 104 LYS C C 104 179.300 179.300 178.708 0.592 25135 591 1 1 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.189 0.911 25135 592 1 1 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.694 -0.194 25135 593 1 1 . 1 1 104 104 LYS H H 104 7.960 7.960 8.086 -0.126 25135 594 1 1 . 1 1 105 105 LEU N N 105 118.200 118.200 121.116 -2.916 25135 595 1 1 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.194 -0.154 25135 596 1 1 . 1 1 105 105 LEU C C 105 178.400 178.400 178.691 -0.291 25135 597 1 1 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.234 0.266 25135 598 1 1 . 1 1 105 105 LEU CB C 105 42.500 42.500 41.820 0.680 25135 599 1 1 . 1 1 105 105 LEU H H 105 8.990 8.990 9.042 -0.052 25135 600 1 1 . 1 1 106 106 SER N N 106 111.700 111.700 114.033 -2.333 25135 601 1 1 . 1 1 106 106 SER HA H 106 3.870 3.870 4.523 -0.653 25135 602 1 1 . 1 1 106 106 SER C C 106 177.500 177.500 176.629 0.871 25135 603 1 1 . 1 1 106 106 SER CA C 106 61.400 61.400 61.900 -0.500 25135 604 1 1 . 1 1 106 106 SER CB C 106 62.600 62.600 62.769 -0.169 25135 605 1 1 . 1 1 106 106 SER H H 106 7.980 7.980 7.804 0.176 25135 606 1 1 . 1 1 107 107 ASP N N 107 122.000 122.000 121.873 0.127 25135 607 1 1 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.386 0.054 25135 608 1 1 . 1 1 107 107 ASP C C 107 179.700 179.700 178.573 1.127 25135 609 1 1 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.171 0.729 25135 610 1 1 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.500 0.100 25135 611 1 1 . 1 1 107 107 ASP H H 107 8.500 8.500 7.705 0.795 25135 612 1 1 . 1 1 108 108 VAL N N 108 119.200 119.200 119.176 0.024 25135 613 1 1 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.797 0.213 25135 614 1 1 . 1 1 108 108 VAL C C 108 178.400 178.400 177.581 0.819 25135 615 1 1 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.436 -0.836 25135 616 1 1 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.248 0.251 25135 617 1 1 . 1 1 108 108 VAL H H 108 8.830 8.830 7.821 1.009 25135 618 1 1 . 1 1 109 109 TRP N N 109 121.900 121.900 121.093 0.807 25135 619 1 1 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.904 0.366 25135 620 1 1 . 1 1 109 109 TRP C C 109 178.000 178.000 178.060 -0.060 25135 621 1 1 . 1 1 109 109 TRP CA C 109 60.100 60.100 59.779 0.321 25135 622 1 1 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.454 0.246 25135 623 1 1 . 1 1 109 109 TRP H H 109 8.710 8.710 7.779 0.930 25135 624 1 1 . 1 1 110 110 LYS N N 110 119.500 119.500 118.391 1.109 25135 625 1 1 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.719 -0.089 25135 626 1 1 . 1 1 110 110 LYS C C 110 178.000 178.000 179.107 -1.107 25135 627 1 1 . 1 1 110 110 LYS CA C 110 60.500 60.500 59.801 0.699 25135 628 1 1 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.056 0.144 25135 629 1 1 . 1 1 110 110 LYS H H 110 8.010 8.010 7.814 0.196 25135 630 1 1 . 1 1 111 111 GLU N N 111 116.700 116.700 118.174 -1.474 25135 631 1 1 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.122 -0.112 25135 632 1 1 . 1 1 111 111 GLU C C 111 178.400 178.400 178.591 -0.191 25135 633 1 1 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.141 0.659 25135 634 1 1 . 1 1 111 111 GLU CB C 111 30.400 30.400 30.051 0.349 25135 635 1 1 . 1 1 111 111 GLU H H 111 7.000 7.000 7.656 -0.656 25135 636 1 1 . 1 1 112 112 LEU N N 112 119.000 119.000 121.733 -2.733 25135 637 1 1 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.154 -0.414 25135 638 1 1 . 1 1 112 112 LEU C C 112 177.600 177.600 177.762 -0.162 25135 639 1 1 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.221 0.579 25135 640 1 1 . 1 1 112 112 LEU CB C 112 42.200 42.200 42.143 0.057 25135 641 1 1 . 1 1 112 112 LEU H H 112 8.380 8.380 8.250 0.130 25135 642 1 1 . 1 1 113 113 SER N N 113 113.100 113.100 115.027 -1.927 25135 643 1 1 . 1 1 113 113 SER HA H 113 3.190 3.190 3.544 -0.354 25135 644 1 1 . 1 1 113 113 SER C C 113 176.300 176.300 176.074 0.226 25135 645 1 1 . 1 1 113 113 SER CA C 113 61.600 61.600 61.382 0.218 25135 646 1 1 . 1 1 113 113 SER CB C 113 61.800 61.800 62.152 -0.352 25135 647 1 1 . 1 1 113 113 SER H H 113 8.490 8.490 8.082 0.408 25135 648 1 1 . 1 1 114 114 LEU N N 114 121.500 121.500 121.581 -0.081 25135 649 1 1 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.057 -0.037 25135 650 1 1 . 1 1 114 114 LEU C C 114 179.100 179.100 177.787 1.313 25135 651 1 1 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.104 0.896 25135 652 1 1 . 1 1 114 114 LEU CB C 114 41.800 41.800 40.502 1.298 25135 653 1 1 . 1 1 114 114 LEU H H 114 6.810 6.810 7.139 -0.329 25135 654 1 1 . 1 1 115 115 LEU N N 115 118.200 118.200 118.924 -0.724 25135 655 1 1 . 1 1 115 115 LEU HA H 115 4.060 4.060 3.931 0.129 25135 656 1 1 . 1 1 115 115 LEU C C 115 179.600 179.600 179.179 0.421 25135 657 1 1 . 1 1 115 115 LEU CA C 115 57.700 57.700 57.252 0.448 25135 658 1 1 . 1 1 115 115 LEU CB C 115 43.100 43.100 41.751 1.349 25135 659 1 1 . 1 1 115 115 LEU H H 115 7.270 7.270 7.063 0.207 25135 660 1 1 . 1 1 116 116 LEU N N 116 118.700 118.700 120.105 -1.405 25135 661 1 1 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.818 0.032 25135 662 1 1 . 1 1 116 116 LEU C C 116 179.300 179.300 179.329 -0.029 25135 663 1 1 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.157 -0.557 25135 664 1 1 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.630 -0.230 25135 665 1 1 . 1 1 116 116 LEU H H 116 8.440 8.440 7.959 0.481 25135 666 1 1 . 1 1 117 117 GLN N N 117 119.500 119.500 117.476 2.024 25135 667 1 1 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.188 0.152 25135 668 1 1 . 1 1 117 117 GLN C C 117 178.200 178.200 178.556 -0.356 25135 669 1 1 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.977 -0.177 25135 670 1 1 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.694 0.106 25135 671 1 1 . 1 1 117 117 GLN H H 117 8.030 8.030 8.178 -0.148 25135 672 1 1 . 1 1 118 118 VAL N N 118 117.600 117.600 119.291 -1.691 25135 673 1 1 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.739 0.101 25135 674 1 1 . 1 1 118 118 VAL C C 118 177.900 177.900 177.232 0.668 25135 675 1 1 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.282 0.118 25135 676 1 1 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.793 1.107 25135 677 1 1 . 1 1 118 118 VAL H H 118 8.110 8.110 7.702 0.408 25135 678 1 1 . 1 1 119 119 GLU N N 119 116.900 116.900 117.296 -0.396 25135 679 1 1 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.074 0.236 25135 680 1 1 . 1 1 119 119 GLU C C 119 177.700 177.700 178.751 -1.051 25135 681 1 1 . 1 1 119 119 GLU CA C 119 58.400 58.400 58.791 -0.391 25135 682 1 1 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.737 0.963 25135 683 1 1 . 1 1 119 119 GLU H H 119 8.620 8.620 8.156 0.464 25135 684 1 1 . 1 1 120 120 GLN N N 120 113.300 113.300 116.082 -2.782 25135 685 1 1 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.380 0.070 25135 686 1 1 . 1 1 120 120 GLN C C 120 174.700 174.700 176.005 -1.305 25135 687 1 1 . 1 1 120 120 GLN CA C 120 54.500 54.500 55.698 -1.198 25135 688 1 1 . 1 1 120 120 GLN CB C 120 28.600 28.600 30.194 -1.594 25135 689 1 1 . 1 1 120 120 GLN H H 120 7.350 7.350 8.115 -0.765 25135 690 1 1 . 1 1 121 121 ARG N N 121 114.800 114.800 113.869 0.931 25135 691 1 1 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.116 0.004 25135 692 1 1 . 1 1 121 121 ARG C C 121 175.600 175.600 175.877 -0.277 25135 693 1 1 . 1 1 121 121 ARG CA C 121 56.600 56.600 56.999 -0.399 25135 694 1 1 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.252 0.448 25135 695 1 1 . 1 1 121 121 ARG H H 121 7.410 7.410 7.865 -0.455 25135 696 1 1 . 1 1 122 122 MET N N 122 120.300 120.300 117.306 2.994 25135 697 1 1 . 1 1 122 122 MET HA H 122 4.600 4.600 4.816 -0.216 25135 698 1 1 . 1 1 122 122 MET CA C 122 53.700 53.700 53.478 0.222 25135 699 1 1 . 1 1 122 122 MET CB C 122 34.700 34.700 32.566 2.134 25135 700 1 1 . 1 1 122 122 MET H H 122 7.760 7.760 7.543 0.217 25135 701 1 1 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.427 0.053 25135 702 1 1 . 1 1 123 123 PRO C C 123 176.300 176.300 175.988 0.312 25135 703 1 1 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.060 -0.260 25135 704 1 1 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.663 -0.363 25135 705 1 1 . 1 1 124 124 VAL N N 124 120.000 120.000 122.308 -2.308 25135 706 1 1 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.400 -0.320 25135 707 1 1 . 1 1 124 124 VAL C C 124 175.800 175.800 175.047 0.753 25135 708 1 1 . 1 1 124 124 VAL CA C 124 61.700 61.700 61.263 0.437 25135 709 1 1 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.113 -1.013 25135 710 1 1 . 1 1 124 124 VAL H H 124 8.080 8.080 8.267 -0.187 25135 711 1 1 . 1 1 125 125 SER N N 125 121.200 121.200 119.653 1.547 25135 712 1 1 . 1 1 125 125 SER HA H 125 4.800 4.800 4.921 -0.121 25135 713 1 1 . 1 1 125 125 SER CA C 125 56.200 56.200 56.095 0.105 25135 714 1 1 . 1 1 125 125 SER CB C 125 63.700 63.700 63.590 0.110 25135 715 1 1 . 1 1 125 125 SER H H 125 8.380 8.380 8.244 0.136 25135 716 1 1 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.398 0.082 25135 717 1 1 . 1 1 126 126 PRO C C 126 177.100 177.100 175.938 1.162 25135 718 1 1 . 1 1 126 126 PRO CA C 126 63.400 63.400 63.306 0.094 25135 719 1 1 . 1 1 126 126 PRO CB C 126 31.900 31.900 29.843 2.057 25135 720 1 1 . 1 1 127 127 ILE N N 127 119.900 119.900 120.490 -0.590 25135 721 1 1 . 1 1 127 127 ILE HA H 127 4.140 4.140 4.085 0.055 25135 722 1 1 . 1 1 127 127 ILE C C 127 176.300 176.300 177.032 -0.732 25135 723 1 1 . 1 1 127 127 ILE CA C 127 61.300 61.300 61.747 -0.447 25135 724 1 1 . 1 1 127 127 ILE CB C 127 38.800 38.800 35.554 3.246 25135 725 1 1 . 1 1 127 127 ILE H H 127 8.050 8.050 8.780 -0.730 25135 726 1 1 . 1 1 128 128 SER N N 128 119.000 119.000 116.678 2.322 25135 727 1 1 . 1 1 128 128 SER HA H 128 4.400 4.400 4.105 0.295 25135 728 1 1 . 1 1 128 128 SER C C 128 174.600 174.600 175.832 -1.232 25135 729 1 1 . 1 1 128 128 SER CA C 128 58.300 58.300 61.308 -3.008 25135 730 1 1 . 1 1 128 128 SER CB C 128 63.600 63.600 63.361 0.239 25135 731 1 1 . 1 1 128 128 SER H H 128 8.230 8.230 8.765 -0.535 25135 732 1 1 . 1 1 129 129 GLN N N 129 122.600 122.600 117.749 4.851 25135 733 1 1 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.227 0.003 25135 734 1 1 . 1 1 129 129 GLN C C 129 176.200 176.200 176.951 -0.751 25135 735 1 1 . 1 1 129 129 GLN CA C 129 56.300 56.300 56.994 -0.694 25135 736 1 1 . 1 1 129 129 GLN CB C 129 29.100 29.100 29.053 0.047 25135 737 1 1 . 1 1 129 129 GLN H H 129 8.340 8.340 8.278 0.062 25135 738 1 1 . 1 1 130 130 GLY N N 130 109.200 109.200 106.170 3.030 25135 739 1 1 . 1 1 130 130 GLY C C 130 175.100 175.100 173.929 1.171 25135 740 1 1 . 1 1 130 130 GLY CA C 130 45.200 45.200 44.921 0.279 25135 741 1 1 . 1 1 130 130 GLY H H 130 8.150 8.150 8.269 -0.119 25135 742 1 1 . 1 1 131 131 ALA N N 131 124.700 124.700 123.226 1.474 25135 743 1 1 . 1 1 131 131 ALA HA H 131 4.230 4.230 2.912 1.318 25135 744 1 1 . 1 1 131 131 ALA C C 131 178.700 178.700 177.636 1.064 25135 745 1 1 . 1 1 131 131 ALA CA C 131 53.800 53.800 52.231 1.569 25135 746 1 1 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.510 0.390 25135 747 1 1 . 1 1 131 131 ALA H H 131 8.070 8.070 8.017 0.053 25135 748 1 1 . 1 1 132 132 SER N N 132 113.200 113.200 114.304 -1.104 25135 749 1 1 . 1 1 132 132 SER HA H 132 4.580 4.580 4.372 0.208 25135 750 1 1 . 1 1 132 132 SER C C 132 175.700 175.700 175.712 -0.012 25135 751 1 1 . 1 1 132 132 SER CA C 132 58.500 58.500 58.426 0.074 25135 752 1 1 . 1 1 132 132 SER CB C 132 63.800 63.800 62.492 1.308 25135 753 1 1 . 1 1 132 132 SER H H 132 8.340 8.340 7.932 0.408 25135 754 1 1 . 1 1 133 133 TRP N N 133 122.800 122.800 122.240 0.560 25135 755 1 1 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.303 0.227 25135 756 1 1 . 1 1 133 133 TRP C C 133 178.200 178.200 178.018 0.182 25135 757 1 1 . 1 1 133 133 TRP CA C 133 58.900 58.900 59.594 -0.694 25135 758 1 1 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.405 1.794 25135 759 1 1 . 1 1 133 133 TRP H H 133 8.380 8.380 7.116 1.264 25135 760 1 1 . 1 1 134 134 ALA N N 134 120.600 120.600 120.779 -0.179 25135 761 1 1 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.930 0.320 25135 762 1 1 . 1 1 134 134 ALA C C 134 180.700 180.700 179.476 1.224 25135 763 1 1 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.325 0.375 25135 764 1 1 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.991 0.010 25135 765 1 1 . 1 1 134 134 ALA H H 134 8.420 8.420 8.499 -0.079 25135 766 1 1 . 1 1 135 135 GLN N N 135 118.900 118.900 118.574 0.326 25135 767 1 1 . 1 1 135 135 GLN HA H 135 4.100 4.100 4.066 0.034 25135 768 1 1 . 1 1 135 135 GLN C C 135 179.200 179.200 178.541 0.659 25135 769 1 1 . 1 1 135 135 GLN CA C 135 59.000 59.000 58.785 0.215 25135 770 1 1 . 1 1 135 135 GLN CB C 135 28.500 28.500 27.820 0.680 25135 771 1 1 . 1 1 135 135 GLN H H 135 7.860 7.860 7.739 0.121 25135 772 1 1 . 1 1 136 136 GLU N N 136 120.900 120.900 119.154 1.746 25135 773 1 1 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.206 -0.386 25135 774 1 1 . 1 1 136 136 GLU C C 136 177.800 177.800 178.775 -0.975 25135 775 1 1 . 1 1 136 136 GLU CA C 136 59.000 59.000 58.970 0.030 25135 776 1 1 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.811 0.189 25135 777 1 1 . 1 1 136 136 GLU H H 136 7.720 7.720 8.018 -0.298 25135 778 1 1 . 1 1 137 137 ASP N N 137 118.200 118.200 121.008 -2.808 25135 779 1 1 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.287 0.173 25135 780 1 1 . 1 1 137 137 ASP C C 137 178.100 178.100 178.588 -0.488 25135 781 1 1 . 1 1 137 137 ASP CA C 137 57.200 57.200 58.087 -0.887 25135 782 1 1 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.773 -0.673 25135 783 1 1 . 1 1 137 137 ASP H H 137 8.800 8.800 8.622 0.178 25135 784 1 1 . 1 1 138 138 GLN N N 138 116.900 116.900 118.448 -1.548 25135 785 1 1 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.029 -0.149 25135 786 1 1 . 1 1 138 138 GLN C C 138 178.400 178.400 178.120 0.280 25135 787 1 1 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.486 0.415 25135 788 1 1 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.431 0.269 25135 789 1 1 . 1 1 138 138 GLN H H 138 7.510 7.510 8.030 -0.520 25135 790 1 1 . 1 1 139 139 GLN N N 139 119.500 119.500 119.270 0.230 25135 791 1 1 . 1 1 139 139 GLN HA H 139 4.110 4.110 4.046 0.064 25135 792 1 1 . 1 1 139 139 GLN C C 139 178.900 178.900 178.776 0.124 25135 793 1 1 . 1 1 139 139 GLN CA C 139 58.900 58.900 58.723 0.177 25135 794 1 1 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.422 0.179 25135 795 1 1 . 1 1 139 139 GLN H H 139 7.520 7.520 7.749 -0.229 25135 796 1 1 . 1 1 140 140 ASP N N 140 121.700 121.700 119.071 2.629 25135 797 1 1 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.480 -0.460 25135 798 1 1 . 1 1 140 140 ASP C C 140 177.700 177.700 177.886 -0.186 25135 799 1 1 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.785 0.515 25135 800 1 1 . 1 1 140 140 ASP CB C 140 40.700 40.700 40.652 0.048 25135 801 1 1 . 1 1 140 140 ASP H H 140 9.130 9.130 8.197 0.933 25135 802 1 1 . 1 1 141 141 ALA N N 141 121.000 121.000 123.785 -2.785 25135 803 1 1 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.067 0.183 25135 804 1 1 . 1 1 141 141 ALA C C 141 180.800 180.800 179.080 1.720 25135 805 1 1 . 1 1 141 141 ALA CA C 141 55.400 55.400 55.338 0.062 25135 806 1 1 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.264 1.236 25135 807 1 1 . 1 1 141 141 ALA H H 141 8.720 8.720 7.831 0.889 25135 808 1 1 . 1 1 142 142 ASP N N 142 119.100 119.100 117.884 1.216 25135 809 1 1 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.358 0.072 25135 810 1 1 . 1 1 142 142 ASP C C 142 178.600 178.600 178.844 -0.244 25135 811 1 1 . 1 1 142 142 ASP CA C 142 57.600 57.600 57.442 0.158 25135 812 1 1 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.596 0.704 25135 813 1 1 . 1 1 142 142 ASP H H 142 7.850 7.850 8.418 -0.568 25135 814 1 1 . 1 1 143 143 GLU N N 143 119.500 119.500 118.418 1.082 25135 815 1 1 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.143 -0.113 25135 816 1 1 . 1 1 143 143 GLU C C 143 180.100 180.100 178.424 1.676 25135 817 1 1 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.666 1.034 25135 818 1 1 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.844 -0.244 25135 819 1 1 . 1 1 143 143 GLU H H 143 7.860 7.860 7.654 0.206 25135 820 1 1 . 1 1 144 144 ASP N N 144 121.000 121.000 121.077 -0.077 25135 821 1 1 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.368 0.282 25135 822 1 1 . 1 1 144 144 ASP C C 144 179.500 179.500 178.255 1.245 25135 823 1 1 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.306 0.194 25135 824 1 1 . 1 1 144 144 ASP CB C 144 41.100 41.100 41.026 0.074 25135 825 1 1 . 1 1 144 144 ASP H H 144 8.840 8.840 8.289 0.551 25135 826 1 1 . 1 1 145 145 ARG N N 145 121.400 121.400 118.159 3.241 25135 827 1 1 . 1 1 145 145 ARG HA H 145 4.130 4.130 4.118 0.012 25135 828 1 1 . 1 1 145 145 ARG C C 145 178.700 178.700 179.405 -0.705 25135 829 1 1 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.012 0.488 25135 830 1 1 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.588 0.012 25135 831 1 1 . 1 1 145 145 ARG H H 145 8.510 8.510 8.158 0.352 25135 832 1 1 . 1 1 146 146 ARG N N 146 119.400 119.400 117.896 1.504 25135 833 1 1 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.307 -0.197 25135 834 1 1 . 1 1 146 146 ARG C C 146 178.400 178.400 177.502 0.898 25135 835 1 1 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.012 1.388 25135 836 1 1 . 1 1 146 146 ARG CB C 146 30.200 30.200 30.414 -0.214 25135 837 1 1 . 1 1 146 146 ARG H H 146 7.680 7.680 7.814 -0.134 25135 838 1 1 . 1 1 147 147 ALA N N 147 120.300 120.300 123.317 -3.017 25135 839 1 1 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.332 -0.022 25135 840 1 1 . 1 1 147 147 ALA C C 147 179.500 179.500 179.392 0.108 25135 841 1 1 . 1 1 147 147 ALA CA C 147 54.100 54.100 54.792 -0.692 25135 842 1 1 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.810 0.290 25135 843 1 1 . 1 1 147 147 ALA H H 147 7.840 7.840 7.746 0.094 25135 844 1 1 . 1 1 148 148 PHE N N 148 119.900 119.900 117.782 2.118 25135 845 1 1 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.467 -0.077 25135 846 1 1 . 1 1 148 148 PHE C C 148 176.900 176.900 177.197 -0.297 25135 847 1 1 . 1 1 148 148 PHE CA C 148 60.500 60.500 58.648 1.851 25135 848 1 1 . 1 1 148 148 PHE CB C 148 39.700 39.700 38.012 1.688 25135 849 1 1 . 1 1 148 148 PHE H H 148 8.210 8.210 8.527 -0.317 25135 850 1 1 . 1 1 149 149 GLN N N 149 118.500 118.500 118.968 -0.468 25135 851 1 1 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.389 0.741 25135 852 1 1 . 1 1 149 149 GLN C C 149 176.400 176.400 176.823 -0.423 25135 853 1 1 . 1 1 149 149 GLN CA C 149 56.900 56.900 58.012 -1.112 25135 854 1 1 . 1 1 149 149 GLN CB C 149 28.900 28.900 28.606 0.294 25135 855 1 1 . 1 1 149 149 GLN H H 149 7.960 7.960 7.821 0.139 25135 856 1 1 . 1 1 150 150 MET N N 150 118.000 118.000 113.143 4.857 25135 857 1 1 . 1 1 150 150 MET HA H 150 4.360 4.360 4.458 -0.098 25135 858 1 1 . 1 1 150 150 MET C C 150 176.300 176.300 175.691 0.609 25135 859 1 1 . 1 1 150 150 MET CA C 150 56.000 56.000 55.498 0.502 25135 860 1 1 . 1 1 150 150 MET CB C 150 32.800 32.800 35.342 -2.542 25135 861 1 1 . 1 1 150 150 MET H H 150 7.760 7.760 7.637 0.123 25135 862 1 1 . 1 1 151 151 LEU N N 151 121.200 121.200 120.932 0.268 25135 863 1 1 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.463 -0.193 25135 864 1 1 . 1 1 151 151 LEU C C 151 177.100 177.100 176.153 0.947 25135 865 1 1 . 1 1 151 151 LEU CA C 151 55.400 55.400 53.764 1.636 25135 866 1 1 . 1 1 151 151 LEU CB C 151 42.300 42.300 42.711 -0.411 25135 867 1 1 . 1 1 151 151 LEU H H 151 7.690 7.690 7.967 -0.277 25135 868 1 1 . 1 1 152 152 ARG N N 152 121.800 121.800 122.162 -0.362 25135 869 1 1 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.203 0.037 25135 870 1 1 . 1 1 152 152 ARG C C 152 176.000 176.000 176.387 -0.387 25135 871 1 1 . 1 1 152 152 ARG CA C 152 56.200 56.200 56.340 -0.140 25135 872 1 1 . 1 1 152 152 ARG CB C 152 30.900 30.900 30.707 0.193 25135 873 1 1 . 1 1 152 152 ARG H H 152 8.120 8.120 8.470 -0.350 25135 874 1 1 . 1 1 153 153 ARG N N 153 123.100 123.100 124.513 -1.413 25135 875 1 1 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.155 0.205 25135 876 1 1 . 1 1 153 153 ARG C C 153 174.900 174.900 176.319 -1.419 25135 877 1 1 . 1 1 153 153 ARG CA C 153 56.000 56.000 56.246 -0.246 25135 878 1 1 . 1 1 153 153 ARG CB C 153 31.000 31.000 28.508 2.492 25135 879 1 1 . 1 1 153 153 ARG H H 153 8.380 8.380 8.587 -0.207 25135 880 1 2 . 1 1 2 2 GLU N N 2 120.000 120.000 120.297 -0.297 25135 881 1 2 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.026 -0.046 25135 882 1 2 . 1 1 2 2 GLU C C 2 178.400 178.400 177.677 0.723 25135 883 1 2 . 1 1 2 2 GLU CA C 2 59.400 59.400 59.568 -0.168 25135 884 1 2 . 1 1 2 2 GLU CB C 2 29.200 29.200 29.175 0.025 25135 885 1 2 . 1 1 2 2 GLU H H 2 8.140 8.140 8.900 -0.760 25135 886 1 2 . 1 1 3 3 ASN N N 3 117.300 117.300 114.902 2.398 25135 887 1 2 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.650 -0.010 25135 888 1 2 . 1 1 3 3 ASN C C 3 177.900 177.900 176.537 1.363 25135 889 1 2 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.791 1.009 25135 890 1 2 . 1 1 3 3 ASN CB C 3 39.000 39.000 38.209 0.791 25135 891 1 2 . 1 1 3 3 ASN H H 3 7.960 7.960 8.632 -0.672 25135 892 1 2 . 1 1 4 4 LEU N N 4 119.700 119.700 122.377 -2.677 25135 893 1 2 . 1 1 4 4 LEU HA H 4 4.030 4.030 4.003 0.027 25135 894 1 2 . 1 1 4 4 LEU C C 4 177.900 177.900 178.407 -0.507 25135 895 1 2 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.662 -0.262 25135 896 1 2 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.796 0.204 25135 897 1 2 . 1 1 4 4 LEU H H 4 8.450 8.450 8.151 0.299 25135 898 1 2 . 1 1 5 5 LYS N N 5 118.200 118.200 115.428 2.772 25135 899 1 2 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.119 -0.179 25135 900 1 2 . 1 1 5 5 LYS C C 5 179.200 179.200 179.075 0.125 25135 901 1 2 . 1 1 5 5 LYS CA C 5 60.000 60.000 57.983 2.017 25135 902 1 2 . 1 1 5 5 LYS CB C 5 31.900 31.900 31.611 0.289 25135 903 1 2 . 1 1 5 5 LYS H H 5 7.940 7.940 7.802 0.138 25135 904 1 2 . 1 1 6 6 HIS N N 6 118.400 118.400 119.998 -1.598 25135 905 1 2 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.488 -0.068 25135 906 1 2 . 1 1 6 6 HIS C C 6 178.200 178.200 177.633 0.567 25135 907 1 2 . 1 1 6 6 HIS CA C 6 59.100 59.100 59.391 -0.291 25135 908 1 2 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.443 0.457 25135 909 1 2 . 1 1 6 6 HIS H H 6 7.710 7.710 7.832 -0.122 25135 910 1 2 . 1 1 7 7 ILE N N 7 120.300 120.300 121.348 -1.048 25135 911 1 2 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.500 -0.060 25135 912 1 2 . 1 1 7 7 ILE C C 7 176.500 176.500 177.461 -0.961 25135 913 1 2 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.667 0.333 25135 914 1 2 . 1 1 7 7 ILE CB C 7 38.700 38.700 37.944 0.756 25135 915 1 2 . 1 1 7 7 ILE H H 7 7.950 7.950 8.505 -0.555 25135 916 1 2 . 1 1 8 8 ILE N N 8 120.200 120.200 119.391 0.809 25135 917 1 2 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.437 0.143 25135 918 1 2 . 1 1 8 8 ILE C C 8 178.000 178.000 177.815 0.185 25135 919 1 2 . 1 1 8 8 ILE CA C 8 65.800 65.800 66.027 -0.227 25135 920 1 2 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.513 1.087 25135 921 1 2 . 1 1 8 8 ILE H H 8 8.450 8.450 8.861 -0.411 25135 922 1 2 . 1 1 9 9 THR N N 9 115.400 115.400 114.576 0.824 25135 923 1 2 . 1 1 9 9 THR HA H 9 3.880 3.880 3.976 -0.096 25135 924 1 2 . 1 1 9 9 THR C C 9 176.300 176.300 176.678 -0.378 25135 925 1 2 . 1 1 9 9 THR CA C 9 66.900 66.900 66.142 0.758 25135 926 1 2 . 1 1 9 9 THR CB C 9 68.800 68.800 68.742 0.058 25135 927 1 2 . 1 1 9 9 THR H H 9 8.120 8.120 7.446 0.674 25135 928 1 2 . 1 1 10 10 LEU N N 10 122.100 122.100 121.762 0.338 25135 929 1 2 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.108 -0.058 25135 930 1 2 . 1 1 10 10 LEU C C 10 178.800 178.800 178.329 0.471 25135 931 1 2 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.862 1.038 25135 932 1 2 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.206 1.094 25135 933 1 2 . 1 1 10 10 LEU H H 10 7.950 7.950 7.538 0.412 25135 934 1 2 . 1 1 11 11 GLY N N 11 105.800 105.800 106.128 -0.328 25135 935 1 2 . 1 1 11 11 GLY C C 11 174.700 174.700 176.517 -1.817 25135 936 1 2 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.084 0.416 25135 937 1 2 . 1 1 11 11 GLY H H 11 8.660 8.660 8.582 0.078 25135 938 1 2 . 1 1 12 12 GLN N N 12 119.600 119.600 120.224 -0.624 25135 939 1 2 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.320 -0.330 25135 940 1 2 . 1 1 12 12 GLN C C 12 179.600 179.600 178.813 0.787 25135 941 1 2 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.532 1.768 25135 942 1 2 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.308 -0.408 25135 943 1 2 . 1 1 12 12 GLN H H 12 8.050 8.050 7.628 0.422 25135 944 1 2 . 1 1 13 13 VAL N N 13 122.600 122.600 122.117 0.483 25135 945 1 2 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.507 0.163 25135 946 1 2 . 1 1 13 13 VAL C C 13 178.500 178.500 177.852 0.648 25135 947 1 2 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.971 -0.271 25135 948 1 2 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.662 0.238 25135 949 1 2 . 1 1 13 13 VAL H H 13 8.300 8.300 7.861 0.439 25135 950 1 2 . 1 1 14 14 ILE N N 14 121.000 121.000 118.963 2.037 25135 951 1 2 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.717 -0.247 25135 952 1 2 . 1 1 14 14 ILE C C 14 177.700 177.700 178.169 -0.469 25135 953 1 2 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.102 0.698 25135 954 1 2 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.843 0.557 25135 955 1 2 . 1 1 14 14 ILE H H 14 8.480 8.480 8.536 -0.056 25135 956 1 2 . 1 1 15 15 HIS N N 15 118.900 118.900 118.308 0.592 25135 957 1 2 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.410 -0.510 25135 958 1 2 . 1 1 15 15 HIS C C 15 176.200 176.200 177.058 -0.858 25135 959 1 2 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.057 2.243 25135 960 1 2 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.198 -0.198 25135 961 1 2 . 1 1 15 15 HIS H H 15 8.250 8.250 7.573 0.677 25135 962 1 2 . 1 1 16 16 LYS N N 16 118.500 118.500 120.458 -1.958 25135 963 1 2 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.769 -0.099 25135 964 1 2 . 1 1 16 16 LYS C C 16 179.200 179.200 178.859 0.341 25135 965 1 2 . 1 1 16 16 LYS CA C 16 59.500 59.500 58.736 0.764 25135 966 1 2 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.244 0.256 25135 967 1 2 . 1 1 16 16 LYS H H 16 7.820 7.820 8.237 -0.417 25135 968 1 2 . 1 1 17 17 ARG N N 17 117.600 117.600 119.096 -1.496 25135 969 1 2 . 1 1 17 17 ARG HA H 17 3.960 3.960 4.156 -0.196 25135 970 1 2 . 1 1 17 17 ARG C C 17 180.600 180.600 178.662 1.938 25135 971 1 2 . 1 1 17 17 ARG CA C 17 59.200 59.200 59.075 0.125 25135 972 1 2 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.111 0.389 25135 973 1 2 . 1 1 17 17 ARG H H 17 8.330 8.330 8.922 -0.592 25135 974 1 2 . 1 1 18 18 CYS N N 18 118.100 118.100 115.572 2.528 25135 975 1 2 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.197 -0.307 25135 976 1 2 . 1 1 18 18 CYS C C 18 177.300 177.300 176.347 0.953 25135 977 1 2 . 1 1 18 18 CYS CA C 18 65.900 65.900 61.464 4.436 25135 978 1 2 . 1 1 18 18 CYS CB C 18 27.600 27.600 27.914 -0.314 25135 979 1 2 . 1 1 18 18 CYS H H 18 8.550 8.550 7.502 1.048 25135 980 1 2 . 1 1 19 19 GLU N N 19 117.900 117.900 119.385 -1.485 25135 981 1 2 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.036 -0.226 25135 982 1 2 . 1 1 19 19 GLU C C 19 177.100 177.100 178.050 -0.950 25135 983 1 2 . 1 1 19 19 GLU CA C 19 58.300 58.300 58.735 -0.435 25135 984 1 2 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.731 0.269 25135 985 1 2 . 1 1 19 19 GLU H H 19 7.540 7.540 7.659 -0.119 25135 986 1 2 . 1 1 20 20 GLU N N 20 115.400 115.400 115.131 0.269 25135 987 1 2 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.248 -0.028 25135 988 1 2 . 1 1 20 20 GLU C C 20 177.100 177.100 177.034 0.066 25135 989 1 2 . 1 1 20 20 GLU CA C 20 55.900 55.900 55.911 -0.011 25135 990 1 2 . 1 1 20 20 GLU CB C 20 30.600 30.600 29.986 0.614 25135 991 1 2 . 1 1 20 20 GLU H H 20 7.190 7.190 7.602 -0.412 25135 992 1 2 . 1 1 21 21 MET N N 21 120.500 120.500 120.483 0.017 25135 993 1 2 . 1 1 21 21 MET HA H 21 4.260 4.260 4.262 -0.002 25135 994 1 2 . 1 1 21 21 MET C C 21 177.800 177.800 176.571 1.229 25135 995 1 2 . 1 1 21 21 MET CA C 21 56.400 56.400 55.992 0.408 25135 996 1 2 . 1 1 21 21 MET CB C 21 33.300 33.300 32.638 0.662 25135 997 1 2 . 1 1 21 21 MET H H 21 6.940 6.940 7.382 -0.442 25135 998 1 2 . 1 1 22 22 LYS N N 22 120.500 120.500 122.204 -1.704 25135 999 1 2 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.295 -0.345 25135 1000 1 2 . 1 1 22 22 LYS C C 22 175.400 175.400 175.790 -0.390 25135 1001 1 2 . 1 1 22 22 LYS CA C 22 57.000 57.000 56.434 0.566 25135 1002 1 2 . 1 1 22 22 LYS CB C 22 33.600 33.600 32.772 0.828 25135 1003 1 2 . 1 1 22 22 LYS H H 22 8.760 8.760 8.745 0.015 25135 1004 1 2 . 1 1 23 23 TYR N N 23 115.500 115.500 117.655 -2.155 25135 1005 1 2 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.639 0.271 25135 1006 1 2 . 1 1 23 23 TYR C C 23 173.700 173.700 174.832 -1.132 25135 1007 1 2 . 1 1 23 23 TYR CA C 23 55.000 55.000 57.594 -2.594 25135 1008 1 2 . 1 1 23 23 TYR CB C 23 41.900 41.900 41.762 0.138 25135 1009 1 2 . 1 1 23 23 TYR H H 23 7.260 7.260 7.531 -0.271 25135 1010 1 2 . 1 1 24 24 CYS N N 24 113.600 113.600 114.718 -1.118 25135 1011 1 2 . 1 1 24 24 CYS HA H 24 3.700 3.700 4.127 -0.427 25135 1012 1 2 . 1 1 24 24 CYS C C 24 174.700 174.700 175.603 -0.903 25135 1013 1 2 . 1 1 24 24 CYS CA C 24 60.400 60.400 59.165 1.235 25135 1014 1 2 . 1 1 24 24 CYS CB C 24 26.100 26.100 26.796 -0.696 25135 1015 1 2 . 1 1 24 24 CYS H H 24 8.720 8.720 8.803 -0.083 25135 1016 1 2 . 1 1 25 25 LYS N N 25 115.800 115.800 120.754 -4.954 25135 1017 1 2 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.868 -0.288 25135 1018 1 2 . 1 1 25 25 LYS C C 25 179.800 179.800 178.777 1.023 25135 1019 1 2 . 1 1 25 25 LYS CA C 25 60.700 60.700 59.716 0.984 25135 1020 1 2 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.188 1.113 25135 1021 1 2 . 1 1 25 25 LYS H H 25 8.050 8.050 8.442 -0.392 25135 1022 1 2 . 1 1 26 26 LYS N N 26 121.000 121.000 118.353 2.647 25135 1023 1 2 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.867 0.123 25135 1024 1 2 . 1 1 26 26 LYS C C 26 181.300 181.300 179.382 1.918 25135 1025 1 2 . 1 1 26 26 LYS CA C 26 59.000 59.000 59.741 -0.741 25135 1026 1 2 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.741 -1.341 25135 1027 1 2 . 1 1 26 26 LYS H H 26 10.600 10.600 8.410 2.190 25135 1028 1 2 . 1 1 27 27 GLN N N 27 120.500 120.500 118.243 2.257 25135 1029 1 2 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.443 -0.473 25135 1030 1 2 . 1 1 27 27 GLN C C 27 180.200 180.200 178.530 1.670 25135 1031 1 2 . 1 1 27 27 GLN CA C 27 59.300 59.300 59.204 0.096 25135 1032 1 2 . 1 1 27 27 GLN CB C 27 32.100 32.100 29.069 3.031 25135 1033 1 2 . 1 1 27 27 GLN H H 27 9.890 9.890 7.795 2.095 25135 1034 1 2 . 1 1 28 28 CYS N N 28 118.800 118.800 119.367 -0.567 25135 1035 1 2 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.751 0.459 25135 1036 1 2 . 1 1 28 28 CYS C C 28 176.200 176.200 176.906 -0.706 25135 1037 1 2 . 1 1 28 28 CYS CA C 28 64.300 64.300 64.622 -0.322 25135 1038 1 2 . 1 1 28 28 CYS CB C 28 26.800 26.800 27.244 -0.445 25135 1039 1 2 . 1 1 28 28 CYS H H 28 8.550 8.550 8.459 0.091 25135 1040 1 2 . 1 1 29 29 ARG N N 29 119.300 119.300 119.442 -0.142 25135 1041 1 2 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.938 -0.068 25135 1042 1 2 . 1 1 29 29 ARG C C 29 178.900 178.900 178.728 0.172 25135 1043 1 2 . 1 1 29 29 ARG CA C 29 59.300 59.300 59.919 -0.619 25135 1044 1 2 . 1 1 29 29 ARG CB C 29 29.200 29.200 29.947 -0.747 25135 1045 1 2 . 1 1 29 29 ARG H H 29 8.700 8.700 8.598 0.102 25135 1046 1 2 . 1 1 30 30 ARG N N 30 119.700 119.700 118.642 1.058 25135 1047 1 2 . 1 1 30 30 ARG HA H 30 3.890 3.890 4.005 -0.115 25135 1048 1 2 . 1 1 30 30 ARG C C 30 178.000 178.000 178.502 -0.502 25135 1049 1 2 . 1 1 30 30 ARG CA C 30 58.200 58.200 59.228 -1.028 25135 1050 1 2 . 1 1 30 30 ARG CB C 30 29.100 29.100 29.642 -0.542 25135 1051 1 2 . 1 1 30 30 ARG H H 30 7.810 7.810 7.518 0.292 25135 1052 1 2 . 1 1 31 31 LEU N N 31 120.600 120.600 120.525 0.075 25135 1053 1 2 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.611 0.429 25135 1054 1 2 . 1 1 31 31 LEU C C 31 178.400 178.400 178.131 0.269 25135 1055 1 2 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.881 0.419 25135 1056 1 2 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.403 -0.203 25135 1057 1 2 . 1 1 31 31 LEU H H 31 7.310 7.310 7.921 -0.611 25135 1058 1 2 . 1 1 32 32 GLY N N 32 105.200 105.200 105.697 -0.497 25135 1059 1 2 . 1 1 32 32 GLY C C 32 175.600 175.600 176.066 -0.466 25135 1060 1 2 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.279 1.121 25135 1061 1 2 . 1 1 32 32 GLY H H 32 7.960 7.960 8.342 -0.382 25135 1062 1 2 . 1 1 33 33 HIS N N 33 120.500 120.500 121.932 -1.432 25135 1063 1 2 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.204 0.026 25135 1064 1 2 . 1 1 33 33 HIS C C 33 179.400 179.400 178.164 1.236 25135 1065 1 2 . 1 1 33 33 HIS CA C 33 59.600 59.600 60.266 -0.666 25135 1066 1 2 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.078 0.521 25135 1067 1 2 . 1 1 33 33 HIS H H 33 8.340 8.340 8.607 -0.267 25135 1068 1 2 . 1 1 34 34 ARG N N 34 121.900 121.900 119.107 2.793 25135 1069 1 2 . 1 1 34 34 ARG HA H 34 3.870 3.870 4.034 -0.164 25135 1070 1 2 . 1 1 34 34 ARG C C 34 179.600 179.600 178.539 1.061 25135 1071 1 2 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.267 0.233 25135 1072 1 2 . 1 1 34 34 ARG CB C 34 30.100 30.100 29.960 0.140 25135 1073 1 2 . 1 1 34 34 ARG H H 34 8.680 8.680 8.536 0.144 25135 1074 1 2 . 1 1 35 35 VAL N N 35 118.500 118.500 120.893 -2.393 25135 1075 1 2 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.374 0.036 25135 1076 1 2 . 1 1 35 35 VAL C C 35 177.600 177.600 177.759 -0.159 25135 1077 1 2 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.475 1.325 25135 1078 1 2 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.502 -0.202 25135 1079 1 2 . 1 1 35 35 VAL H H 35 8.500 8.500 8.135 0.365 25135 1080 1 2 . 1 1 36 36 LEU N N 36 118.300 118.300 119.330 -1.030 25135 1081 1 2 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.796 0.104 25135 1082 1 2 . 1 1 36 36 LEU C C 36 179.600 179.600 179.203 0.397 25135 1083 1 2 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.844 0.156 25135 1084 1 2 . 1 1 36 36 LEU CB C 36 41.400 41.400 40.890 0.510 25135 1085 1 2 . 1 1 36 36 LEU H H 36 7.890 7.890 8.636 -0.746 25135 1086 1 2 . 1 1 37 37 GLY N N 37 104.900 104.900 104.904 -0.004 25135 1087 1 2 . 1 1 37 37 GLY C C 37 175.700 175.700 175.474 0.226 25135 1088 1 2 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.578 0.122 25135 1089 1 2 . 1 1 37 37 GLY H H 37 7.760 7.760 7.508 0.252 25135 1090 1 2 . 1 1 38 38 LEU N N 38 120.500 120.500 120.129 0.371 25135 1091 1 2 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.641 -0.051 25135 1092 1 2 . 1 1 38 38 LEU C C 38 176.900 176.900 178.103 -1.203 25135 1093 1 2 . 1 1 38 38 LEU CA C 38 56.500 56.500 56.115 0.385 25135 1094 1 2 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.325 -0.725 25135 1095 1 2 . 1 1 38 38 LEU H H 38 7.720 7.720 7.514 0.206 25135 1096 1 2 . 1 1 39 39 ILE N N 39 108.700 108.700 115.998 -7.298 25135 1097 1 2 . 1 1 39 39 ILE HA H 39 4.190 4.190 4.025 0.165 25135 1098 1 2 . 1 1 39 39 ILE C C 39 178.100 178.100 177.093 1.007 25135 1099 1 2 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.464 -0.764 25135 1100 1 2 . 1 1 39 39 ILE CB C 39 38.500 38.500 37.980 0.520 25135 1101 1 2 . 1 1 39 39 ILE H H 39 7.540 7.540 7.307 0.233 25135 1102 1 2 . 1 1 40 40 LYS N N 40 122.800 122.800 122.439 0.361 25135 1103 1 2 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.197 0.233 25135 1104 1 2 . 1 1 40 40 LYS CA C 40 60.700 60.700 59.685 1.015 25135 1105 1 2 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.393 0.007 25135 1106 1 2 . 1 1 40 40 LYS H H 40 7.600 7.600 8.361 -0.761 25135 1107 1 2 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.347 0.083 25135 1108 1 2 . 1 1 41 41 PRO C C 41 178.700 178.700 179.206 -0.506 25135 1109 1 2 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.525 -0.025 25135 1110 1 2 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.297 0.303 25135 1111 1 2 . 1 1 42 42 LEU N N 42 114.400 114.400 119.285 -4.885 25135 1112 1 2 . 1 1 42 42 LEU HA H 42 4.060 4.060 4.021 0.039 25135 1113 1 2 . 1 1 42 42 LEU C C 42 178.800 178.800 178.996 -0.196 25135 1114 1 2 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.797 -0.697 25135 1115 1 2 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.078 -0.778 25135 1116 1 2 . 1 1 42 42 LEU H H 42 7.200 7.200 7.813 -0.613 25135 1117 1 2 . 1 1 43 43 GLU N N 43 119.200 119.200 118.833 0.367 25135 1118 1 2 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.935 -0.015 25135 1119 1 2 . 1 1 43 43 GLU C C 43 179.100 179.100 178.889 0.211 25135 1120 1 2 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.559 -0.059 25135 1121 1 2 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.280 0.820 25135 1122 1 2 . 1 1 43 43 GLU H H 43 8.120 8.120 8.003 0.117 25135 1123 1 2 . 1 1 44 44 MET N N 44 116.500 116.500 115.649 0.851 25135 1124 1 2 . 1 1 44 44 MET HA H 44 4.310 4.310 4.269 0.041 25135 1125 1 2 . 1 1 44 44 MET C C 44 177.900 177.900 177.605 0.295 25135 1126 1 2 . 1 1 44 44 MET CA C 44 57.600 57.600 57.666 -0.067 25135 1127 1 2 . 1 1 44 44 MET CB C 44 32.500 32.500 32.931 -0.431 25135 1128 1 2 . 1 1 44 44 MET H H 44 7.600 7.600 7.764 -0.164 25135 1129 1 2 . 1 1 45 45 LEU N N 45 119.900 119.900 118.435 1.465 25135 1130 1 2 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.228 -0.078 25135 1131 1 2 . 1 1 45 45 LEU C C 45 178.000 178.000 179.094 -1.094 25135 1132 1 2 . 1 1 45 45 LEU CA C 45 56.600 56.600 58.421 -1.821 25135 1133 1 2 . 1 1 45 45 LEU CB C 45 42.000 42.000 42.492 -0.492 25135 1134 1 2 . 1 1 45 45 LEU H H 45 7.620 7.620 7.917 -0.297 25135 1135 1 2 . 1 1 46 46 GLN N N 46 118.300 118.300 117.894 0.406 25135 1136 1 2 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.244 -0.224 25135 1137 1 2 . 1 1 46 46 GLN C C 46 176.500 176.500 177.401 -0.901 25135 1138 1 2 . 1 1 46 46 GLN CA C 46 57.700 57.700 57.613 0.087 25135 1139 1 2 . 1 1 46 46 GLN CB C 46 29.500 29.500 28.333 1.167 25135 1140 1 2 . 1 1 46 46 GLN H H 46 7.950 7.950 8.589 -0.639 25135 1141 1 2 . 1 1 47 47 ASP N N 47 119.000 119.000 120.100 -1.100 25135 1142 1 2 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.502 0.068 25135 1143 1 2 . 1 1 47 47 ASP C C 47 176.900 176.900 178.035 -1.135 25135 1144 1 2 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.157 -0.857 25135 1145 1 2 . 1 1 47 47 ASP CB C 47 41.300 41.300 41.243 0.057 25135 1146 1 2 . 1 1 47 47 ASP H H 47 7.890 7.890 7.704 0.186 25135 1147 1 2 . 1 1 48 48 GLN N N 48 119.500 119.500 117.983 1.517 25135 1148 1 2 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.258 -0.028 25135 1149 1 2 . 1 1 48 48 GLN C C 48 177.200 177.200 177.310 -0.110 25135 1150 1 2 . 1 1 48 48 GLN CA C 48 56.700 56.700 56.736 -0.036 25135 1151 1 2 . 1 1 48 48 GLN CB C 48 29.300 29.300 28.903 0.397 25135 1152 1 2 . 1 1 48 48 GLN H H 48 8.080 8.080 7.800 0.280 25135 1153 1 2 . 1 1 49 49 GLY N N 49 108.100 108.100 108.376 -0.276 25135 1154 1 2 . 1 1 49 49 GLY C C 49 174.300 174.300 174.951 -0.651 25135 1155 1 2 . 1 1 49 49 GLY CA C 49 46.000 46.000 44.942 1.058 25135 1156 1 2 . 1 1 49 49 GLY H H 49 8.270 8.270 8.017 0.253 25135 1157 1 2 . 1 1 50 50 LYS N N 50 120.200 120.200 121.277 -1.077 25135 1158 1 2 . 1 1 50 50 LYS HA H 50 4.320 4.320 4.139 0.181 25135 1159 1 2 . 1 1 50 50 LYS C C 50 176.400 176.400 177.113 -0.713 25135 1160 1 2 . 1 1 50 50 LYS CA C 50 56.500 56.500 57.042 -0.542 25135 1161 1 2 . 1 1 50 50 LYS CB C 50 32.900 32.900 32.792 0.108 25135 1162 1 2 . 1 1 50 50 LYS H H 50 8.130 8.130 8.430 -0.300 25135 1163 1 2 . 1 1 51 51 ARG N N 51 121.300 121.300 119.699 1.601 25135 1164 1 2 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.561 -0.101 25135 1165 1 2 . 1 1 51 51 ARG C C 51 176.100 176.100 174.249 1.851 25135 1166 1 2 . 1 1 51 51 ARG CA C 51 56.000 56.000 55.535 0.465 25135 1167 1 2 . 1 1 51 51 ARG CB C 51 31.200 31.200 32.914 -1.714 25135 1168 1 2 . 1 1 51 51 ARG H H 51 8.260 8.260 7.858 0.402 25135 1169 1 2 . 1 1 52 52 SER N N 52 116.900 116.900 117.257 -0.357 25135 1170 1 2 . 1 1 52 52 SER HA H 52 4.550 4.550 4.562 -0.012 25135 1171 1 2 . 1 1 52 52 SER C C 52 173.900 173.900 173.087 0.813 25135 1172 1 2 . 1 1 52 52 SER CA C 52 57.800 57.800 58.255 -0.455 25135 1173 1 2 . 1 1 52 52 SER CB C 52 64.300 64.300 63.727 0.573 25135 1174 1 2 . 1 1 52 52 SER H H 52 8.150 8.150 8.468 -0.318 25135 1175 1 2 . 1 1 53 53 VAL N N 53 124.300 124.300 125.895 -1.595 25135 1176 1 2 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.106 0.184 25135 1177 1 2 . 1 1 53 53 VAL CA C 53 60.400 60.400 61.047 -0.647 25135 1178 1 2 . 1 1 53 53 VAL CB C 53 32.500 32.500 32.753 -0.253 25135 1179 1 2 . 1 1 53 53 VAL H H 53 8.420 8.420 8.265 0.155 25135 1180 1 2 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.591 -0.101 25135 1181 1 2 . 1 1 54 54 PRO C C 54 176.600 176.600 176.270 0.330 25135 1182 1 2 . 1 1 54 54 PRO CA C 54 62.500 62.500 61.913 0.587 25135 1183 1 2 . 1 1 54 54 PRO CB C 54 32.600 32.600 30.550 2.050 25135 1184 1 2 . 1 1 55 55 SER N N 55 119.500 119.500 117.626 1.874 25135 1185 1 2 . 1 1 55 55 SER HA H 55 4.370 4.370 4.287 0.083 25135 1186 1 2 . 1 1 55 55 SER C C 55 175.500 175.500 175.998 -0.498 25135 1187 1 2 . 1 1 55 55 SER CA C 55 58.200 58.200 58.201 -0.001 25135 1188 1 2 . 1 1 55 55 SER CB C 55 64.200 64.200 64.885 -0.685 25135 1189 1 2 . 1 1 55 55 SER H H 55 8.970 8.970 7.901 1.069 25135 1190 1 2 . 1 1 56 56 GLU N N 56 123.000 123.000 124.447 -1.447 25135 1191 1 2 . 1 1 56 56 GLU HA H 56 4.140 4.140 3.997 0.143 25135 1192 1 2 . 1 1 56 56 GLU C C 56 179.300 179.300 178.655 0.645 25135 1193 1 2 . 1 1 56 56 GLU CA C 56 59.700 59.700 59.645 0.056 25135 1194 1 2 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.644 -0.444 25135 1195 1 2 . 1 1 56 56 GLU H H 56 9.030 9.030 8.971 0.059 25135 1196 1 2 . 1 1 57 57 LYS N N 57 118.900 118.900 117.974 0.926 25135 1197 1 2 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.110 -0.110 25135 1198 1 2 . 1 1 57 57 LYS C C 57 179.400 179.400 178.215 1.185 25135 1199 1 2 . 1 1 57 57 LYS CA C 57 59.600 59.600 58.808 0.792 25135 1200 1 2 . 1 1 57 57 LYS CB C 57 32.700 32.700 32.043 0.657 25135 1201 1 2 . 1 1 57 57 LYS H H 57 8.150 8.150 8.302 -0.152 25135 1202 1 2 . 1 1 58 58 LEU N N 58 122.800 122.800 121.338 1.462 25135 1203 1 2 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.086 0.014 25135 1204 1 2 . 1 1 58 58 LEU C C 58 178.200 178.200 178.462 -0.262 25135 1205 1 2 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.024 0.276 25135 1206 1 2 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.329 -0.829 25135 1207 1 2 . 1 1 58 58 LEU H H 58 8.420 8.420 8.002 0.418 25135 1208 1 2 . 1 1 59 59 THR N N 59 117.800 117.800 113.991 3.809 25135 1209 1 2 . 1 1 59 59 THR HA H 59 3.730 3.730 4.025 -0.295 25135 1210 1 2 . 1 1 59 59 THR C C 59 176.800 176.800 176.827 -0.027 25135 1211 1 2 . 1 1 59 59 THR CA C 59 67.500 67.500 67.003 0.497 25135 1212 1 2 . 1 1 59 59 THR CB C 59 68.400 68.400 68.178 0.222 25135 1213 1 2 . 1 1 59 59 THR H H 59 8.600 8.600 8.346 0.254 25135 1214 1 2 . 1 1 60 60 THR N N 60 118.300 118.300 117.384 0.916 25135 1215 1 2 . 1 1 60 60 THR HA H 60 3.980 3.980 4.023 -0.043 25135 1216 1 2 . 1 1 60 60 THR C C 60 176.400 176.400 175.965 0.435 25135 1217 1 2 . 1 1 60 60 THR CA C 60 66.900 66.900 66.559 0.341 25135 1218 1 2 . 1 1 60 60 THR CB C 60 68.400 68.400 68.540 -0.139 25135 1219 1 2 . 1 1 60 60 THR H H 60 8.390 8.390 7.651 0.739 25135 1220 1 2 . 1 1 61 61 ALA N N 61 124.900 124.900 124.648 0.252 25135 1221 1 2 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.079 0.041 25135 1222 1 2 . 1 1 61 61 ALA C C 61 180.000 180.000 179.532 0.468 25135 1223 1 2 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.330 0.470 25135 1224 1 2 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.363 0.437 25135 1225 1 2 . 1 1 61 61 ALA H H 61 8.090 8.090 7.721 0.369 25135 1226 1 2 . 1 1 62 62 MET N N 62 118.300 118.300 117.679 0.621 25135 1227 1 2 . 1 1 62 62 MET HA H 62 4.110 4.110 4.230 -0.120 25135 1228 1 2 . 1 1 62 62 MET C C 62 178.300 178.300 178.728 -0.428 25135 1229 1 2 . 1 1 62 62 MET CA C 62 59.600 59.600 59.746 -0.146 25135 1230 1 2 . 1 1 62 62 MET CB C 62 32.500 32.500 32.237 0.263 25135 1231 1 2 . 1 1 62 62 MET H H 62 8.820 8.820 8.657 0.163 25135 1232 1 2 . 1 1 63 63 ASN N N 63 119.500 119.500 118.531 0.969 25135 1233 1 2 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.498 0.082 25135 1234 1 2 . 1 1 63 63 ASN C C 63 179.000 179.000 177.837 1.163 25135 1235 1 2 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.829 -0.529 25135 1236 1 2 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.385 -0.685 25135 1237 1 2 . 1 1 63 63 ASN H H 63 8.320 8.320 8.777 -0.457 25135 1238 1 2 . 1 1 64 64 ARG N N 64 122.500 122.500 119.791 2.709 25135 1239 1 2 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.088 0.102 25135 1240 1 2 . 1 1 64 64 ARG C C 64 179.300 179.300 178.672 0.628 25135 1241 1 2 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.554 0.146 25135 1242 1 2 . 1 1 64 64 ARG CB C 64 30.700 30.700 29.968 0.733 25135 1243 1 2 . 1 1 64 64 ARG H H 64 8.560 8.560 8.153 0.407 25135 1244 1 2 . 1 1 65 65 PHE N N 65 123.100 123.100 122.417 0.683 25135 1245 1 2 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.324 0.146 25135 1246 1 2 . 1 1 65 65 PHE C C 65 176.400 176.400 176.961 -0.561 25135 1247 1 2 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.463 1.137 25135 1248 1 2 . 1 1 65 65 PHE CB C 65 39.400 39.400 38.987 0.413 25135 1249 1 2 . 1 1 65 65 PHE H H 65 8.560 8.560 8.778 -0.218 25135 1250 1 2 . 1 1 66 66 LYS N N 66 119.800 119.800 119.630 0.170 25135 1251 1 2 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.805 -0.185 25135 1252 1 2 . 1 1 66 66 LYS C C 66 177.600 177.600 178.811 -1.211 25135 1253 1 2 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.659 1.041 25135 1254 1 2 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.344 0.156 25135 1255 1 2 . 1 1 66 66 LYS H H 66 8.610 8.610 8.891 -0.281 25135 1256 1 2 . 1 1 67 67 ALA N N 67 119.000 119.000 121.926 -2.926 25135 1257 1 2 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.052 0.178 25135 1258 1 2 . 1 1 67 67 ALA C C 67 180.400 180.400 179.010 1.390 25135 1259 1 2 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.752 0.248 25135 1260 1 2 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.631 -0.631 25135 1261 1 2 . 1 1 67 67 ALA H H 67 8.000 8.000 8.263 -0.263 25135 1262 1 2 . 1 1 68 68 ALA N N 68 122.200 122.200 121.855 0.345 25135 1263 1 2 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.092 0.098 25135 1264 1 2 . 1 1 68 68 ALA C C 68 179.800 179.800 179.814 -0.014 25135 1265 1 2 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.855 0.345 25135 1266 1 2 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.311 -0.510 25135 1267 1 2 . 1 1 68 68 ALA H H 68 7.950 7.950 8.441 -0.491 25135 1268 1 2 . 1 1 69 69 LEU N N 69 118.900 118.900 119.067 -0.167 25135 1269 1 2 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.822 0.028 25135 1270 1 2 . 1 1 69 69 LEU C C 69 179.200 179.200 178.933 0.267 25135 1271 1 2 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.247 -0.747 25135 1272 1 2 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.640 -0.240 25135 1273 1 2 . 1 1 69 69 LEU H H 69 8.020 8.020 8.423 -0.403 25135 1274 1 2 . 1 1 70 70 GLU N N 70 120.500 120.500 118.158 2.342 25135 1275 1 2 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.840 0.100 25135 1276 1 2 . 1 1 70 70 GLU C C 70 180.500 180.500 178.932 1.568 25135 1277 1 2 . 1 1 70 70 GLU CA C 70 59.900 59.900 59.826 0.074 25135 1278 1 2 . 1 1 70 70 GLU CB C 70 29.200 29.200 28.977 0.223 25135 1279 1 2 . 1 1 70 70 GLU H H 70 8.590 8.590 7.816 0.774 25135 1280 1 2 . 1 1 71 71 GLU N N 71 122.200 122.200 118.748 3.452 25135 1281 1 2 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.085 -0.015 25135 1282 1 2 . 1 1 71 71 GLU C C 71 179.600 179.600 178.698 0.902 25135 1283 1 2 . 1 1 71 71 GLU CA C 71 59.400 59.400 59.045 0.355 25135 1284 1 2 . 1 1 71 71 GLU CB C 71 29.400 29.400 28.453 0.947 25135 1285 1 2 . 1 1 71 71 GLU H H 71 8.300 8.300 7.575 0.725 25135 1286 1 2 . 1 1 72 72 ALA N N 72 122.800 122.800 122.928 -0.128 25135 1287 1 2 . 1 1 72 72 ALA HA H 72 3.890 3.890 4.053 -0.163 25135 1288 1 2 . 1 1 72 72 ALA C C 72 178.500 178.500 179.955 -1.455 25135 1289 1 2 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.129 0.571 25135 1290 1 2 . 1 1 72 72 ALA CB C 72 17.200 17.200 18.085 -0.885 25135 1291 1 2 . 1 1 72 72 ALA H H 72 8.330 8.330 7.951 0.379 25135 1292 1 2 . 1 1 73 73 ASN N N 73 115.700 115.700 117.406 -1.706 25135 1293 1 2 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.362 0.088 25135 1294 1 2 . 1 1 73 73 ASN C C 73 177.600 177.600 178.013 -0.413 25135 1295 1 2 . 1 1 73 73 ASN CA C 73 56.300 56.300 55.904 0.396 25135 1296 1 2 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.155 0.745 25135 1297 1 2 . 1 1 73 73 ASN H H 73 8.460 8.460 8.618 -0.158 25135 1298 1 2 . 1 1 74 74 GLY N N 74 105.500 105.500 107.580 -2.080 25135 1299 1 2 . 1 1 74 74 GLY C C 74 177.100 177.100 175.867 1.233 25135 1300 1 2 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.910 0.090 25135 1301 1 2 . 1 1 74 74 GLY H H 74 8.070 8.070 8.525 -0.455 25135 1302 1 2 . 1 1 75 75 GLU N N 75 123.500 123.500 122.815 0.685 25135 1303 1 2 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.876 0.234 25135 1304 1 2 . 1 1 75 75 GLU C C 75 178.500 178.500 179.028 -0.528 25135 1305 1 2 . 1 1 75 75 GLU CA C 75 58.700 58.700 58.678 0.022 25135 1306 1 2 . 1 1 75 75 GLU CB C 75 29.900 29.900 29.026 0.874 25135 1307 1 2 . 1 1 75 75 GLU H H 75 8.110 8.110 8.358 -0.248 25135 1308 1 2 . 1 1 76 76 ILE N N 76 120.300 120.300 118.869 1.431 25135 1309 1 2 . 1 1 76 76 ILE HA H 76 3.820 3.820 4.005 -0.185 25135 1310 1 2 . 1 1 76 76 ILE C C 76 178.300 178.300 177.036 1.264 25135 1311 1 2 . 1 1 76 76 ILE CA C 76 65.500 65.500 64.486 1.014 25135 1312 1 2 . 1 1 76 76 ILE CB C 76 37.900 37.900 38.208 -0.308 25135 1313 1 2 . 1 1 76 76 ILE H H 76 8.330 8.330 8.305 0.025 25135 1314 1 2 . 1 1 77 77 GLU N N 77 119.400 119.400 118.507 0.893 25135 1315 1 2 . 1 1 77 77 GLU HA H 77 3.920 3.920 4.021 -0.101 25135 1316 1 2 . 1 1 77 77 GLU C C 77 180.200 180.200 179.081 1.119 25135 1317 1 2 . 1 1 77 77 GLU CA C 77 59.700 59.700 58.764 0.936 25135 1318 1 2 . 1 1 77 77 GLU CB C 77 29.300 29.300 29.673 -0.373 25135 1319 1 2 . 1 1 77 77 GLU H H 77 7.860 7.860 7.844 0.016 25135 1320 1 2 . 1 1 78 78 LYS N N 78 121.600 121.600 119.484 2.116 25135 1321 1 2 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.071 -0.171 25135 1322 1 2 . 1 1 78 78 LYS C C 78 179.200 179.200 177.393 1.807 25135 1323 1 2 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.307 1.593 25135 1324 1 2 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.186 0.114 25135 1325 1 2 . 1 1 78 78 LYS H H 78 7.760 7.760 8.373 -0.613 25135 1326 1 2 . 1 1 79 79 PHE N N 79 115.900 115.900 115.955 -0.055 25135 1327 1 2 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.631 0.049 25135 1328 1 2 . 1 1 79 79 PHE C C 79 174.100 174.100 175.920 -1.820 25135 1329 1 2 . 1 1 79 79 PHE CA C 79 58.200 58.200 56.648 1.552 25135 1330 1 2 . 1 1 79 79 PHE CB C 79 36.900 36.900 38.829 -1.929 25135 1331 1 2 . 1 1 79 79 PHE H H 79 8.170 8.170 7.448 0.722 25135 1332 1 2 . 1 1 80 80 SER N N 80 113.300 113.300 114.716 -1.416 25135 1333 1 2 . 1 1 80 80 SER HA H 80 4.500 4.500 4.283 0.217 25135 1334 1 2 . 1 1 80 80 SER C C 80 173.700 173.700 174.971 -1.271 25135 1335 1 2 . 1 1 80 80 SER CA C 80 60.500 60.500 59.908 0.592 25135 1336 1 2 . 1 1 80 80 SER CB C 80 63.400 63.400 63.995 -0.595 25135 1337 1 2 . 1 1 80 80 SER H H 80 7.700 7.700 7.447 0.253 25135 1338 1 2 . 1 1 81 81 ASN N N 81 119.500 119.500 120.950 -1.450 25135 1339 1 2 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.721 0.249 25135 1340 1 2 . 1 1 81 81 ASN CA C 81 52.100 52.100 52.956 -0.856 25135 1341 1 2 . 1 1 81 81 ASN CB C 81 40.300 40.300 38.951 1.349 25135 1342 1 2 . 1 1 81 81 ASN H H 81 7.290 7.290 8.123 -0.833 25135 1343 1 2 . 1 1 82 82 ARG N N 82 127.400 127.400 124.791 2.609 25135 1344 1 2 . 1 1 82 82 ARG HA H 82 3.590 3.590 2.904 0.686 25135 1345 1 2 . 1 1 82 82 ARG C C 82 177.700 177.700 177.103 0.597 25135 1346 1 2 . 1 1 82 82 ARG CA C 82 59.800 59.800 59.437 0.363 25135 1347 1 2 . 1 1 82 82 ARG CB C 82 30.100 30.100 29.100 1.000 25135 1348 1 2 . 1 1 82 82 ARG H H 82 9.050 9.050 8.648 0.402 25135 1349 1 2 . 1 1 83 83 SER N N 83 114.600 114.600 114.947 -0.347 25135 1350 1 2 . 1 1 83 83 SER HA H 83 3.930 3.930 4.251 -0.321 25135 1351 1 2 . 1 1 83 83 SER C C 83 177.100 177.100 176.596 0.504 25135 1352 1 2 . 1 1 83 83 SER CA C 83 62.200 62.200 61.812 0.388 25135 1353 1 2 . 1 1 83 83 SER CB C 83 62.000 62.000 62.330 -0.330 25135 1354 1 2 . 1 1 83 83 SER H H 83 8.390 8.390 8.454 -0.064 25135 1355 1 2 . 1 1 84 84 ASN N N 84 119.700 119.700 119.774 -0.074 25135 1356 1 2 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.599 0.001 25135 1357 1 2 . 1 1 84 84 ASN C C 84 179.100 179.100 177.313 1.787 25135 1358 1 2 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.758 -0.358 25135 1359 1 2 . 1 1 84 84 ASN CB C 84 37.600 37.600 38.301 -0.701 25135 1360 1 2 . 1 1 84 84 ASN H H 84 7.980 7.980 7.713 0.267 25135 1361 1 2 . 1 1 85 85 ILE N N 85 122.100 122.100 121.282 0.818 25135 1362 1 2 . 1 1 85 85 ILE HA H 85 3.820 3.820 4.094 -0.274 25135 1363 1 2 . 1 1 85 85 ILE C C 85 176.900 176.900 177.482 -0.582 25135 1364 1 2 . 1 1 85 85 ILE CA C 85 64.700 64.700 64.331 0.369 25135 1365 1 2 . 1 1 85 85 ILE CB C 85 37.400 37.400 37.060 0.340 25135 1366 1 2 . 1 1 85 85 ILE H H 85 7.760 7.760 7.425 0.335 25135 1367 1 2 . 1 1 86 86 CYS N N 86 119.200 119.200 117.628 1.572 25135 1368 1 2 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.809 0.131 25135 1369 1 2 . 1 1 86 86 CYS C C 86 177.400 177.400 177.101 0.299 25135 1370 1 2 . 1 1 86 86 CYS CA C 86 63.800 63.800 63.235 0.565 25135 1371 1 2 . 1 1 86 86 CYS CB C 86 26.900 26.900 26.383 0.517 25135 1372 1 2 . 1 1 86 86 CYS H H 86 8.330 8.330 8.192 0.138 25135 1373 1 2 . 1 1 87 87 ARG N N 87 119.200 119.200 120.547 -1.347 25135 1374 1 2 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.224 -0.204 25135 1375 1 2 . 1 1 87 87 ARG C C 87 178.500 178.500 177.932 0.568 25135 1376 1 2 . 1 1 87 87 ARG CA C 87 59.500 59.500 58.559 0.941 25135 1377 1 2 . 1 1 87 87 ARG CB C 87 30.300 30.300 29.314 0.987 25135 1378 1 2 . 1 1 87 87 ARG H H 87 7.900 7.900 7.868 0.032 25135 1379 1 2 . 1 1 88 88 PHE N N 88 120.300 120.300 121.390 -1.090 25135 1380 1 2 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.624 -0.404 25135 1381 1 2 . 1 1 88 88 PHE C C 88 177.200 177.200 176.299 0.901 25135 1382 1 2 . 1 1 88 88 PHE CA C 88 61.500 61.500 59.083 2.417 25135 1383 1 2 . 1 1 88 88 PHE CB C 88 39.800 39.800 39.811 -0.011 25135 1384 1 2 . 1 1 88 88 PHE H H 88 7.760 7.760 8.119 -0.359 25135 1385 1 2 . 1 1 89 89 LEU N N 89 117.900 117.900 119.001 -1.101 25135 1386 1 2 . 1 1 89 89 LEU HA H 89 3.640 3.640 2.985 0.655 25135 1387 1 2 . 1 1 89 89 LEU C C 89 178.700 178.700 178.158 0.542 25135 1388 1 2 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.559 -0.159 25135 1389 1 2 . 1 1 89 89 LEU CB C 89 41.600 41.600 40.533 1.067 25135 1390 1 2 . 1 1 89 89 LEU H H 89 8.590 8.590 8.163 0.427 25135 1391 1 2 . 1 1 90 90 THR N N 90 112.000 112.000 110.988 1.012 25135 1392 1 2 . 1 1 90 90 THR HA H 90 3.980 3.980 4.246 -0.266 25135 1393 1 2 . 1 1 90 90 THR C C 90 174.900 174.900 175.696 -0.796 25135 1394 1 2 . 1 1 90 90 THR CA C 90 65.200 65.200 64.358 0.842 25135 1395 1 2 . 1 1 90 90 THR CB C 90 69.300 69.300 69.509 -0.209 25135 1396 1 2 . 1 1 90 90 THR H H 90 7.690 7.690 7.432 0.258 25135 1397 1 2 . 1 1 91 91 ALA N N 91 122.400 122.400 123.537 -1.137 25135 1398 1 2 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.332 -0.062 25135 1399 1 2 . 1 1 91 91 ALA C C 91 177.500 177.500 177.432 0.068 25135 1400 1 2 . 1 1 91 91 ALA CA C 91 53.000 53.000 52.386 0.614 25135 1401 1 2 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.536 0.464 25135 1402 1 2 . 1 1 91 91 ALA H H 91 7.220 7.220 7.440 -0.220 25135 1403 1 2 . 1 1 92 92 SER N N 92 112.900 112.900 113.490 -0.590 25135 1404 1 2 . 1 1 92 92 SER HA H 92 4.130 4.130 4.237 -0.107 25135 1405 1 2 . 1 1 92 92 SER CA C 92 57.600 57.600 58.871 -1.271 25135 1406 1 2 . 1 1 92 92 SER CB C 92 64.000 64.000 62.043 1.957 25135 1407 1 2 . 1 1 92 92 SER H H 92 7.510 7.510 8.237 -0.727 25135 1408 1 2 . 1 1 93 93 GLN N N 93 125.700 125.700 121.950 3.750 25135 1409 1 2 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.223 -0.023 25135 1410 1 2 . 1 1 93 93 GLN C C 93 176.700 176.700 176.308 0.392 25135 1411 1 2 . 1 1 93 93 GLN CA C 93 57.700 57.700 58.599 -0.899 25135 1412 1 2 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.067 -0.067 25135 1413 1 2 . 1 1 93 93 GLN H H 93 8.710 8.710 8.395 0.315 25135 1414 1 2 . 1 1 94 94 ASP N N 94 116.400 116.400 115.599 0.801 25135 1415 1 2 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.820 -0.260 25135 1416 1 2 . 1 1 94 94 ASP CA C 94 54.000 54.000 53.911 0.089 25135 1417 1 2 . 1 1 94 94 ASP CB C 94 41.700 41.700 42.510 -0.810 25135 1418 1 2 . 1 1 94 94 ASP H H 94 7.800 7.800 8.606 -0.806 25135 1419 1 2 . 1 1 95 95 LYS N N 95 114.300 114.300 115.279 -0.979 25135 1420 1 2 . 1 1 95 95 LYS H H 95 8.290 8.290 8.782 -0.492 25135 1421 1 2 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.443 -0.123 25135 1422 1 2 . 1 1 96 96 ILE C C 96 177.000 177.000 177.078 -0.078 25135 1423 1 2 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.903 0.897 25135 1424 1 2 . 1 1 96 96 ILE CB C 96 38.100 38.100 39.745 -1.645 25135 1425 1 2 . 1 1 97 97 LEU N N 97 131.100 131.100 126.337 4.763 25135 1426 1 2 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.796 -0.676 25135 1427 1 2 . 1 1 97 97 LEU C C 97 177.200 177.200 177.480 -0.280 25135 1428 1 2 . 1 1 97 97 LEU CA C 97 58.000 58.000 58.485 -0.485 25135 1429 1 2 . 1 1 97 97 LEU CB C 97 42.900 42.900 42.068 0.832 25135 1430 1 2 . 1 1 97 97 LEU H H 97 8.620 8.620 8.915 -0.295 25135 1431 1 2 . 1 1 98 98 PHE N N 98 113.600 113.600 110.881 2.719 25135 1432 1 2 . 1 1 98 98 PHE HA H 98 5.100 5.100 4.727 0.373 25135 1433 1 2 . 1 1 98 98 PHE C C 98 175.400 175.400 175.363 0.037 25135 1434 1 2 . 1 1 98 98 PHE CA C 98 55.700 55.700 55.240 0.460 25135 1435 1 2 . 1 1 98 98 PHE CB C 98 37.600 37.600 37.050 0.550 25135 1436 1 2 . 1 1 98 98 PHE H H 98 8.450 8.450 8.155 0.295 25135 1437 1 2 . 1 1 99 99 LYS N N 99 119.500 119.500 123.789 -4.289 25135 1438 1 2 . 1 1 99 99 LYS HA H 99 3.880 3.880 3.891 -0.011 25135 1439 1 2 . 1 1 99 99 LYS C C 99 178.900 178.900 177.948 0.952 25135 1440 1 2 . 1 1 99 99 LYS CA C 99 61.100 61.100 60.192 0.908 25135 1441 1 2 . 1 1 99 99 LYS CB C 99 33.500 33.500 32.385 1.115 25135 1442 1 2 . 1 1 99 99 LYS H H 99 6.790 6.790 7.280 -0.490 25135 1443 1 2 . 1 1 100 100 ASP N N 100 117.800 117.800 119.751 -1.951 25135 1444 1 2 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.428 0.182 25135 1445 1 2 . 1 1 100 100 ASP C C 100 179.000 179.000 178.944 0.056 25135 1446 1 2 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.547 0.253 25135 1447 1 2 . 1 1 100 100 ASP CB C 100 40.400 40.400 39.858 0.542 25135 1448 1 2 . 1 1 100 100 ASP H H 100 8.520 8.520 8.672 -0.152 25135 1449 1 2 . 1 1 101 101 VAL N N 101 122.600 122.600 119.168 3.432 25135 1450 1 2 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.755 0.105 25135 1451 1 2 . 1 1 101 101 VAL C C 101 177.100 177.100 178.032 -0.932 25135 1452 1 2 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.854 -1.154 25135 1453 1 2 . 1 1 101 101 VAL CB C 101 32.300 32.300 31.827 0.473 25135 1454 1 2 . 1 1 101 101 VAL H H 101 8.210 8.210 7.797 0.413 25135 1455 1 2 . 1 1 102 102 ASN N N 102 121.000 121.000 117.564 3.436 25135 1456 1 2 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.826 -0.266 25135 1457 1 2 . 1 1 102 102 ASN C C 102 178.500 178.500 177.818 0.682 25135 1458 1 2 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.468 -0.268 25135 1459 1 2 . 1 1 102 102 ASN CB C 102 37.900 37.900 38.251 -0.351 25135 1460 1 2 . 1 1 102 102 ASN H H 102 9.060 9.060 8.543 0.517 25135 1461 1 2 . 1 1 103 103 ARG N N 103 120.700 120.700 119.565 1.135 25135 1462 1 2 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.180 -0.020 25135 1463 1 2 . 1 1 103 103 ARG C C 103 177.900 177.900 178.133 -0.233 25135 1464 1 2 . 1 1 103 103 ARG CA C 103 59.100 59.100 59.393 -0.293 25135 1465 1 2 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.689 -0.789 25135 1466 1 2 . 1 1 103 103 ARG H H 103 7.640 7.640 7.934 -0.294 25135 1467 1 2 . 1 1 104 104 LYS N N 104 119.700 119.700 120.797 -1.097 25135 1468 1 2 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.279 -0.089 25135 1469 1 2 . 1 1 104 104 LYS C C 104 179.300 179.300 178.737 0.563 25135 1470 1 2 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.241 0.859 25135 1471 1 2 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.669 -0.169 25135 1472 1 2 . 1 1 104 104 LYS H H 104 7.960 7.960 8.255 -0.295 25135 1473 1 2 . 1 1 105 105 LEU N N 105 118.200 118.200 121.014 -2.814 25135 1474 1 2 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.205 -0.165 25135 1475 1 2 . 1 1 105 105 LEU C C 105 178.400 178.400 178.677 -0.277 25135 1476 1 2 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.227 0.273 25135 1477 1 2 . 1 1 105 105 LEU CB C 105 42.500 42.500 41.868 0.632 25135 1478 1 2 . 1 1 105 105 LEU H H 105 8.990 8.990 9.045 -0.055 25135 1479 1 2 . 1 1 106 106 SER N N 106 111.700 111.700 114.218 -2.518 25135 1480 1 2 . 1 1 106 106 SER HA H 106 3.870 3.870 4.443 -0.573 25135 1481 1 2 . 1 1 106 106 SER C C 106 177.500 177.500 176.537 0.963 25135 1482 1 2 . 1 1 106 106 SER CA C 106 61.400 61.400 62.008 -0.608 25135 1483 1 2 . 1 1 106 106 SER CB C 106 62.600 62.600 62.763 -0.163 25135 1484 1 2 . 1 1 106 106 SER H H 106 7.980 7.980 7.912 0.068 25135 1485 1 2 . 1 1 107 107 ASP N N 107 122.000 122.000 122.235 -0.235 25135 1486 1 2 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.359 0.081 25135 1487 1 2 . 1 1 107 107 ASP C C 107 179.700 179.700 178.634 1.066 25135 1488 1 2 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.385 0.515 25135 1489 1 2 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.999 -0.399 25135 1490 1 2 . 1 1 107 107 ASP H H 107 8.500 8.500 7.660 0.840 25135 1491 1 2 . 1 1 108 108 VAL N N 108 119.200 119.200 118.992 0.208 25135 1492 1 2 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.683 0.327 25135 1493 1 2 . 1 1 108 108 VAL C C 108 178.400 178.400 177.466 0.934 25135 1494 1 2 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.096 -0.496 25135 1495 1 2 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.445 0.055 25135 1496 1 2 . 1 1 108 108 VAL H H 108 8.830 8.830 7.802 1.028 25135 1497 1 2 . 1 1 109 109 TRP N N 109 121.900 121.900 121.723 0.177 25135 1498 1 2 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.949 0.321 25135 1499 1 2 . 1 1 109 109 TRP C C 109 178.000 178.000 177.646 0.354 25135 1500 1 2 . 1 1 109 109 TRP CA C 109 60.100 60.100 59.931 0.169 25135 1501 1 2 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.463 0.237 25135 1502 1 2 . 1 1 109 109 TRP H H 109 8.710 8.710 7.880 0.830 25135 1503 1 2 . 1 1 110 110 LYS N N 110 119.500 119.500 118.538 0.962 25135 1504 1 2 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.729 -0.099 25135 1505 1 2 . 1 1 110 110 LYS C C 110 178.000 178.000 179.140 -1.140 25135 1506 1 2 . 1 1 110 110 LYS CA C 110 60.500 60.500 59.804 0.696 25135 1507 1 2 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.047 0.153 25135 1508 1 2 . 1 1 110 110 LYS H H 110 8.010 8.010 7.791 0.219 25135 1509 1 2 . 1 1 111 111 GLU N N 111 116.700 116.700 118.106 -1.406 25135 1510 1 2 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.114 -0.104 25135 1511 1 2 . 1 1 111 111 GLU C C 111 178.400 178.400 178.575 -0.175 25135 1512 1 2 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.154 0.646 25135 1513 1 2 . 1 1 111 111 GLU CB C 111 30.400 30.400 30.054 0.346 25135 1514 1 2 . 1 1 111 111 GLU H H 111 7.000 7.000 7.681 -0.681 25135 1515 1 2 . 1 1 112 112 LEU N N 112 119.000 119.000 121.395 -2.395 25135 1516 1 2 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.156 -0.416 25135 1517 1 2 . 1 1 112 112 LEU C C 112 177.600 177.600 177.680 -0.080 25135 1518 1 2 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.156 0.644 25135 1519 1 2 . 1 1 112 112 LEU CB C 112 42.200 42.200 41.937 0.263 25135 1520 1 2 . 1 1 112 112 LEU H H 112 8.380 8.380 8.211 0.169 25135 1521 1 2 . 1 1 113 113 SER N N 113 113.100 113.100 115.055 -1.955 25135 1522 1 2 . 1 1 113 113 SER HA H 113 3.190 3.190 3.423 -0.233 25135 1523 1 2 . 1 1 113 113 SER C C 113 176.300 176.300 175.959 0.341 25135 1524 1 2 . 1 1 113 113 SER CA C 113 61.600 61.600 61.102 0.498 25135 1525 1 2 . 1 1 113 113 SER CB C 113 61.800 61.800 61.812 -0.012 25135 1526 1 2 . 1 1 113 113 SER H H 113 8.490 8.490 8.042 0.448 25135 1527 1 2 . 1 1 114 114 LEU N N 114 121.500 121.500 120.900 0.600 25135 1528 1 2 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.062 -0.042 25135 1529 1 2 . 1 1 114 114 LEU C C 114 179.100 179.100 177.388 1.712 25135 1530 1 2 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.123 0.877 25135 1531 1 2 . 1 1 114 114 LEU CB C 114 41.800 41.800 40.652 1.148 25135 1532 1 2 . 1 1 114 114 LEU H H 114 6.810 6.810 7.092 -0.282 25135 1533 1 2 . 1 1 115 115 LEU N N 115 118.200 118.200 118.647 -0.447 25135 1534 1 2 . 1 1 115 115 LEU HA H 115 4.060 4.060 4.032 0.028 25135 1535 1 2 . 1 1 115 115 LEU C C 115 179.600 179.600 178.902 0.698 25135 1536 1 2 . 1 1 115 115 LEU CA C 115 57.700 57.700 57.067 0.633 25135 1537 1 2 . 1 1 115 115 LEU CB C 115 43.100 43.100 42.017 1.083 25135 1538 1 2 . 1 1 115 115 LEU H H 115 7.270 7.270 7.068 0.202 25135 1539 1 2 . 1 1 116 116 LEU N N 116 118.700 118.700 120.567 -1.867 25135 1540 1 2 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.780 0.070 25135 1541 1 2 . 1 1 116 116 LEU C C 116 179.300 179.300 178.990 0.310 25135 1542 1 2 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.316 -0.717 25135 1543 1 2 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.693 -0.293 25135 1544 1 2 . 1 1 116 116 LEU H H 116 8.440 8.440 8.265 0.175 25135 1545 1 2 . 1 1 117 117 GLN N N 117 119.500 119.500 116.190 3.310 25135 1546 1 2 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.304 0.036 25135 1547 1 2 . 1 1 117 117 GLN C C 117 178.200 178.200 178.212 -0.012 25135 1548 1 2 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.359 0.441 25135 1549 1 2 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.124 0.676 25135 1550 1 2 . 1 1 117 117 GLN H H 117 8.030 8.030 8.121 -0.091 25135 1551 1 2 . 1 1 118 118 VAL N N 118 117.600 117.600 119.643 -2.043 25135 1552 1 2 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.867 -0.027 25135 1553 1 2 . 1 1 118 118 VAL C C 118 177.900 177.900 177.924 -0.024 25135 1554 1 2 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.064 0.336 25135 1555 1 2 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.445 1.455 25135 1556 1 2 . 1 1 118 118 VAL H H 118 8.110 8.110 7.587 0.523 25135 1557 1 2 . 1 1 119 119 GLU N N 119 116.900 116.900 118.548 -1.648 25135 1558 1 2 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.122 0.188 25135 1559 1 2 . 1 1 119 119 GLU C C 119 177.700 177.700 178.529 -0.829 25135 1560 1 2 . 1 1 119 119 GLU CA C 119 58.400 58.400 58.839 -0.438 25135 1561 1 2 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.556 1.144 25135 1562 1 2 . 1 1 119 119 GLU H H 119 8.620 8.620 8.398 0.222 25135 1563 1 2 . 1 1 120 120 GLN N N 120 113.300 113.300 116.496 -3.196 25135 1564 1 2 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.340 0.110 25135 1565 1 2 . 1 1 120 120 GLN C C 120 174.700 174.700 176.412 -1.712 25135 1566 1 2 . 1 1 120 120 GLN CA C 120 54.500 54.500 55.897 -1.397 25135 1567 1 2 . 1 1 120 120 GLN CB C 120 28.600 28.600 29.808 -1.208 25135 1568 1 2 . 1 1 120 120 GLN H H 120 7.350 7.350 8.205 -0.855 25135 1569 1 2 . 1 1 121 121 ARG N N 121 114.800 114.800 113.974 0.826 25135 1570 1 2 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.161 -0.041 25135 1571 1 2 . 1 1 121 121 ARG C C 121 175.600 175.600 175.704 -0.104 25135 1572 1 2 . 1 1 121 121 ARG CA C 121 56.600 56.600 56.934 -0.334 25135 1573 1 2 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.140 0.560 25135 1574 1 2 . 1 1 121 121 ARG H H 121 7.410 7.410 7.655 -0.245 25135 1575 1 2 . 1 1 122 122 MET N N 122 120.300 120.300 117.720 2.580 25135 1576 1 2 . 1 1 122 122 MET HA H 122 4.600 4.600 4.862 -0.262 25135 1577 1 2 . 1 1 122 122 MET CA C 122 53.700 53.700 53.332 0.368 25135 1578 1 2 . 1 1 122 122 MET CB C 122 34.700 34.700 32.838 1.862 25135 1579 1 2 . 1 1 122 122 MET H H 122 7.760 7.760 7.506 0.254 25135 1580 1 2 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.561 -0.081 25135 1581 1 2 . 1 1 123 123 PRO C C 123 176.300 176.300 175.679 0.621 25135 1582 1 2 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.424 -0.624 25135 1583 1 2 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.577 -0.277 25135 1584 1 2 . 1 1 124 124 VAL N N 124 120.000 120.000 122.293 -2.293 25135 1585 1 2 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.372 -0.292 25135 1586 1 2 . 1 1 124 124 VAL C C 124 175.800 175.800 175.164 0.636 25135 1587 1 2 . 1 1 124 124 VAL CA C 124 61.700 61.700 60.963 0.737 25135 1588 1 2 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.363 -1.263 25135 1589 1 2 . 1 1 124 124 VAL H H 124 8.080 8.080 8.278 -0.198 25135 1590 1 2 . 1 1 125 125 SER N N 125 121.200 121.200 117.474 3.726 25135 1591 1 2 . 1 1 125 125 SER HA H 125 4.800 4.800 4.892 -0.092 25135 1592 1 2 . 1 1 125 125 SER CA C 125 56.200 56.200 56.065 0.135 25135 1593 1 2 . 1 1 125 125 SER CB C 125 63.700 63.700 64.610 -0.910 25135 1594 1 2 . 1 1 125 125 SER H H 125 8.380 8.380 8.165 0.215 25135 1595 1 2 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.437 0.043 25135 1596 1 2 . 1 1 126 126 PRO C C 126 177.100 177.100 176.126 0.974 25135 1597 1 2 . 1 1 126 126 PRO CA C 126 63.400 63.400 63.260 0.140 25135 1598 1 2 . 1 1 126 126 PRO CB C 126 31.900 31.900 30.026 1.874 25135 1599 1 2 . 1 1 127 127 ILE N N 127 119.900 119.900 120.474 -0.574 25135 1600 1 2 . 1 1 127 127 ILE HA H 127 4.140 4.140 4.107 0.033 25135 1601 1 2 . 1 1 127 127 ILE C C 127 176.300 176.300 177.349 -1.049 25135 1602 1 2 . 1 1 127 127 ILE CA C 127 61.300 61.300 61.937 -0.637 25135 1603 1 2 . 1 1 127 127 ILE CB C 127 38.800 38.800 35.365 3.435 25135 1604 1 2 . 1 1 127 127 ILE H H 127 8.050 8.050 8.779 -0.729 25135 1605 1 2 . 1 1 128 128 SER N N 128 119.000 119.000 116.908 2.092 25135 1606 1 2 . 1 1 128 128 SER HA H 128 4.400 4.400 4.078 0.322 25135 1607 1 2 . 1 1 128 128 SER C C 128 174.600 174.600 175.990 -1.390 25135 1608 1 2 . 1 1 128 128 SER CA C 128 58.300 58.300 61.295 -2.995 25135 1609 1 2 . 1 1 128 128 SER CB C 128 63.600 63.600 63.423 0.176 25135 1610 1 2 . 1 1 128 128 SER H H 128 8.230 8.230 8.870 -0.640 25135 1611 1 2 . 1 1 129 129 GLN N N 129 122.600 122.600 117.766 4.834 25135 1612 1 2 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.249 -0.019 25135 1613 1 2 . 1 1 129 129 GLN C C 129 176.200 176.200 176.790 -0.590 25135 1614 1 2 . 1 1 129 129 GLN CA C 129 56.300 56.300 56.805 -0.505 25135 1615 1 2 . 1 1 129 129 GLN CB C 129 29.100 29.100 28.953 0.147 25135 1616 1 2 . 1 1 129 129 GLN H H 129 8.340 8.340 8.196 0.144 25135 1617 1 2 . 1 1 130 130 GLY N N 130 109.200 109.200 106.594 2.606 25135 1618 1 2 . 1 1 130 130 GLY C C 130 175.100 175.100 173.864 1.236 25135 1619 1 2 . 1 1 130 130 GLY CA C 130 45.200 45.200 44.998 0.202 25135 1620 1 2 . 1 1 130 130 GLY H H 130 8.150 8.150 8.328 -0.178 25135 1621 1 2 . 1 1 131 131 ALA N N 131 124.700 124.700 123.740 0.960 25135 1622 1 2 . 1 1 131 131 ALA HA H 131 4.230 4.230 2.864 1.366 25135 1623 1 2 . 1 1 131 131 ALA C C 131 178.700 178.700 177.447 1.253 25135 1624 1 2 . 1 1 131 131 ALA CA C 131 53.800 53.800 51.860 1.940 25135 1625 1 2 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.666 0.234 25135 1626 1 2 . 1 1 131 131 ALA H H 131 8.070 8.070 8.179 -0.109 25135 1627 1 2 . 1 1 132 132 SER N N 132 113.200 113.200 114.230 -1.030 25135 1628 1 2 . 1 1 132 132 SER HA H 132 4.580 4.580 4.330 0.250 25135 1629 1 2 . 1 1 132 132 SER C C 132 175.700 175.700 175.883 -0.183 25135 1630 1 2 . 1 1 132 132 SER CA C 132 58.500 58.500 58.559 -0.059 25135 1631 1 2 . 1 1 132 132 SER CB C 132 63.800 63.800 62.463 1.337 25135 1632 1 2 . 1 1 132 132 SER H H 132 8.340 8.340 7.915 0.425 25135 1633 1 2 . 1 1 133 133 TRP N N 133 122.800 122.800 122.491 0.309 25135 1634 1 2 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.335 0.195 25135 1635 1 2 . 1 1 133 133 TRP C C 133 178.200 178.200 177.946 0.254 25135 1636 1 2 . 1 1 133 133 TRP CA C 133 58.900 58.900 60.087 -1.187 25135 1637 1 2 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.326 1.874 25135 1638 1 2 . 1 1 133 133 TRP H H 133 8.380 8.380 7.099 1.281 25135 1639 1 2 . 1 1 134 134 ALA N N 134 120.600 120.600 121.581 -0.981 25135 1640 1 2 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.897 0.353 25135 1641 1 2 . 1 1 134 134 ALA C C 134 180.700 180.700 180.084 0.616 25135 1642 1 2 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.128 0.572 25135 1643 1 2 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.642 0.358 25135 1644 1 2 . 1 1 134 134 ALA H H 134 8.420 8.420 8.362 0.058 25135 1645 1 2 . 1 1 135 135 GLN N N 135 118.900 118.900 116.652 2.248 25135 1646 1 2 . 1 1 135 135 GLN HA H 135 4.100 4.100 4.025 0.075 25135 1647 1 2 . 1 1 135 135 GLN C C 135 179.200 179.200 178.611 0.589 25135 1648 1 2 . 1 1 135 135 GLN CA C 135 59.000 59.000 59.200 -0.200 25135 1649 1 2 . 1 1 135 135 GLN CB C 135 28.500 28.500 28.694 -0.194 25135 1650 1 2 . 1 1 135 135 GLN H H 135 7.860 7.860 7.873 -0.013 25135 1651 1 2 . 1 1 136 136 GLU N N 136 120.900 120.900 119.074 1.826 25135 1652 1 2 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.211 -0.391 25135 1653 1 2 . 1 1 136 136 GLU C C 136 177.800 177.800 178.968 -1.168 25135 1654 1 2 . 1 1 136 136 GLU CA C 136 59.000 59.000 58.963 0.037 25135 1655 1 2 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.285 0.715 25135 1656 1 2 . 1 1 136 136 GLU H H 136 7.720 7.720 7.698 0.022 25135 1657 1 2 . 1 1 137 137 ASP N N 137 118.200 118.200 120.545 -2.345 25135 1658 1 2 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.452 0.008 25135 1659 1 2 . 1 1 137 137 ASP C C 137 178.100 178.100 178.635 -0.535 25135 1660 1 2 . 1 1 137 137 ASP CA C 137 57.200 57.200 57.562 -0.362 25135 1661 1 2 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.365 -0.265 25135 1662 1 2 . 1 1 137 137 ASP H H 137 8.800 8.800 8.588 0.212 25135 1663 1 2 . 1 1 138 138 GLN N N 138 116.900 116.900 118.556 -1.656 25135 1664 1 2 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.034 -0.154 25135 1665 1 2 . 1 1 138 138 GLN C C 138 178.400 178.400 178.378 0.022 25135 1666 1 2 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.830 0.070 25135 1667 1 2 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.672 0.028 25135 1668 1 2 . 1 1 138 138 GLN H H 138 7.510 7.510 7.601 -0.091 25135 1669 1 2 . 1 1 139 139 GLN N N 139 119.500 119.500 118.898 0.602 25135 1670 1 2 . 1 1 139 139 GLN HA H 139 4.110 4.110 3.998 0.112 25135 1671 1 2 . 1 1 139 139 GLN C C 139 178.900 178.900 178.749 0.151 25135 1672 1 2 . 1 1 139 139 GLN CA C 139 58.900 58.900 58.930 -0.030 25135 1673 1 2 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.422 0.179 25135 1674 1 2 . 1 1 139 139 GLN H H 139 7.520 7.520 7.704 -0.184 25135 1675 1 2 . 1 1 140 140 ASP N N 140 121.700 121.700 118.282 3.418 25135 1676 1 2 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.577 -0.557 25135 1677 1 2 . 1 1 140 140 ASP C C 140 177.700 177.700 177.615 0.085 25135 1678 1 2 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.669 0.631 25135 1679 1 2 . 1 1 140 140 ASP CB C 140 40.700 40.700 40.749 -0.049 25135 1680 1 2 . 1 1 140 140 ASP H H 140 9.130 9.130 7.913 1.217 25135 1681 1 2 . 1 1 141 141 ALA N N 141 121.000 121.000 123.779 -2.779 25135 1682 1 2 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.192 0.058 25135 1683 1 2 . 1 1 141 141 ALA C C 141 180.800 180.800 179.308 1.492 25135 1684 1 2 . 1 1 141 141 ALA CA C 141 55.400 55.400 55.066 0.334 25135 1685 1 2 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.567 0.933 25135 1686 1 2 . 1 1 141 141 ALA H H 141 8.720 8.720 7.247 1.473 25135 1687 1 2 . 1 1 142 142 ASP N N 142 119.100 119.100 117.979 1.121 25135 1688 1 2 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.322 0.108 25135 1689 1 2 . 1 1 142 142 ASP C C 142 178.600 178.600 178.448 0.152 25135 1690 1 2 . 1 1 142 142 ASP CA C 142 57.600 57.600 57.385 0.215 25135 1691 1 2 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.507 0.793 25135 1692 1 2 . 1 1 142 142 ASP H H 142 7.850 7.850 8.650 -0.800 25135 1693 1 2 . 1 1 143 143 GLU N N 143 119.500 119.500 118.067 1.433 25135 1694 1 2 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.190 -0.160 25135 1695 1 2 . 1 1 143 143 GLU C C 143 180.100 180.100 178.727 1.373 25135 1696 1 2 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.697 1.003 25135 1697 1 2 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.666 -0.066 25135 1698 1 2 . 1 1 143 143 GLU H H 143 7.860 7.860 7.699 0.161 25135 1699 1 2 . 1 1 144 144 ASP N N 144 121.000 121.000 121.110 -0.110 25135 1700 1 2 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.357 0.293 25135 1701 1 2 . 1 1 144 144 ASP C C 144 179.500 179.500 178.274 1.226 25135 1702 1 2 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.541 -0.041 25135 1703 1 2 . 1 1 144 144 ASP CB C 144 41.100 41.100 40.623 0.477 25135 1704 1 2 . 1 1 144 144 ASP H H 144 8.840 8.840 8.237 0.603 25135 1705 1 2 . 1 1 145 145 ARG N N 145 121.400 121.400 118.496 2.904 25135 1706 1 2 . 1 1 145 145 ARG HA H 145 4.130 4.130 4.108 0.022 25135 1707 1 2 . 1 1 145 145 ARG C C 145 178.700 178.700 179.323 -0.623 25135 1708 1 2 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.169 0.332 25135 1709 1 2 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.746 -0.146 25135 1710 1 2 . 1 1 145 145 ARG H H 145 8.510 8.510 7.995 0.515 25135 1711 1 2 . 1 1 146 146 ARG N N 146 119.400 119.400 118.846 0.554 25135 1712 1 2 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.211 -0.101 25135 1713 1 2 . 1 1 146 146 ARG C C 146 178.400 178.400 178.134 0.266 25135 1714 1 2 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.487 0.913 25135 1715 1 2 . 1 1 146 146 ARG CB C 146 30.200 30.200 29.996 0.204 25135 1716 1 2 . 1 1 146 146 ARG H H 146 7.680 7.680 7.783 -0.103 25135 1717 1 2 . 1 1 147 147 ALA N N 147 120.300 120.300 123.512 -3.212 25135 1718 1 2 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.333 -0.023 25135 1719 1 2 . 1 1 147 147 ALA C C 147 179.500 179.500 179.328 0.172 25135 1720 1 2 . 1 1 147 147 ALA CA C 147 54.100 54.100 54.898 -0.798 25135 1721 1 2 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.608 0.492 25135 1722 1 2 . 1 1 147 147 ALA H H 147 7.840 7.840 7.958 -0.118 25135 1723 1 2 . 1 1 148 148 PHE N N 148 119.900 119.900 117.683 2.217 25135 1724 1 2 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.665 -0.275 25135 1725 1 2 . 1 1 148 148 PHE C C 148 176.900 176.900 176.884 0.016 25135 1726 1 2 . 1 1 148 148 PHE CA C 148 60.500 60.500 58.468 2.032 25135 1727 1 2 . 1 1 148 148 PHE CB C 148 39.700 39.700 37.829 1.871 25135 1728 1 2 . 1 1 148 148 PHE H H 148 8.210 8.210 8.408 -0.198 25135 1729 1 2 . 1 1 149 149 GLN N N 149 118.500 118.500 118.296 0.204 25135 1730 1 2 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.370 0.760 25135 1731 1 2 . 1 1 149 149 GLN C C 149 176.400 176.400 177.771 -1.371 25135 1732 1 2 . 1 1 149 149 GLN CA C 149 56.900 56.900 58.438 -1.538 25135 1733 1 2 . 1 1 149 149 GLN CB C 149 28.900 28.900 28.648 0.252 25135 1734 1 2 . 1 1 149 149 GLN H H 149 7.960 7.960 7.562 0.398 25135 1735 1 2 . 1 1 150 150 MET N N 150 118.000 118.000 113.970 4.030 25135 1736 1 2 . 1 1 150 150 MET HA H 150 4.360 4.360 4.419 -0.059 25135 1737 1 2 . 1 1 150 150 MET C C 150 176.300 176.300 176.434 -0.134 25135 1738 1 2 . 1 1 150 150 MET CA C 150 56.000 56.000 55.768 0.232 25135 1739 1 2 . 1 1 150 150 MET CB C 150 32.800 32.800 34.656 -1.856 25135 1740 1 2 . 1 1 150 150 MET H H 150 7.760 7.760 7.505 0.255 25135 1741 1 2 . 1 1 151 151 LEU N N 151 121.200 121.200 121.346 -0.146 25135 1742 1 2 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.447 -0.177 25135 1743 1 2 . 1 1 151 151 LEU C C 151 177.100 177.100 175.836 1.264 25135 1744 1 2 . 1 1 151 151 LEU CA C 151 55.400 55.400 54.493 0.907 25135 1745 1 2 . 1 1 151 151 LEU CB C 151 42.300 42.300 41.978 0.322 25135 1746 1 2 . 1 1 151 151 LEU H H 151 7.690 7.690 8.365 -0.675 25135 1747 1 2 . 1 1 152 152 ARG N N 152 121.800 121.800 123.812 -2.012 25135 1748 1 2 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.465 -0.225 25135 1749 1 2 . 1 1 152 152 ARG C C 152 176.000 176.000 175.476 0.524 25135 1750 1 2 . 1 1 152 152 ARG CA C 152 56.200 56.200 56.396 -0.196 25135 1751 1 2 . 1 1 152 152 ARG CB C 152 30.900 30.900 29.758 1.142 25135 1752 1 2 . 1 1 152 152 ARG H H 152 8.120 8.120 8.724 -0.604 25135 1753 1 2 . 1 1 153 153 ARG N N 153 123.100 123.100 117.790 5.310 25135 1754 1 2 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.575 -0.215 25135 1755 1 2 . 1 1 153 153 ARG C C 153 174.900 174.900 174.739 0.161 25135 1756 1 2 . 1 1 153 153 ARG CA C 153 56.000 56.000 55.458 0.542 25135 1757 1 2 . 1 1 153 153 ARG CB C 153 31.000 31.000 29.799 1.201 25135 1758 1 2 . 1 1 153 153 ARG H H 153 8.380 8.380 8.084 0.296 25135 1759 1 3 . 1 1 2 2 GLU N N 2 120.000 120.000 120.148 -0.148 25135 1760 1 3 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.038 -0.058 25135 1761 1 3 . 1 1 2 2 GLU C C 2 178.400 178.400 177.947 0.453 25135 1762 1 3 . 1 1 2 2 GLU CA C 2 59.400 59.400 59.254 0.146 25135 1763 1 3 . 1 1 2 2 GLU CB C 2 29.200 29.200 28.987 0.213 25135 1764 1 3 . 1 1 2 2 GLU H H 2 8.140 8.140 8.858 -0.718 25135 1765 1 3 . 1 1 3 3 ASN N N 3 117.300 117.300 115.467 1.833 25135 1766 1 3 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.690 -0.050 25135 1767 1 3 . 1 1 3 3 ASN C C 3 177.900 177.900 176.682 1.218 25135 1768 1 3 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.734 1.066 25135 1769 1 3 . 1 1 3 3 ASN CB C 3 39.000 39.000 38.111 0.889 25135 1770 1 3 . 1 1 3 3 ASN H H 3 7.960 7.960 8.658 -0.698 25135 1771 1 3 . 1 1 4 4 LEU N N 4 119.700 119.700 122.396 -2.696 25135 1772 1 3 . 1 1 4 4 LEU HA H 4 4.030 4.030 3.996 0.034 25135 1773 1 3 . 1 1 4 4 LEU C C 4 177.900 177.900 178.386 -0.486 25135 1774 1 3 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.559 -0.159 25135 1775 1 3 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.790 0.210 25135 1776 1 3 . 1 1 4 4 LEU H H 4 8.450 8.450 8.086 0.364 25135 1777 1 3 . 1 1 5 5 LYS N N 5 118.200 118.200 116.863 1.337 25135 1778 1 3 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.011 -0.071 25135 1779 1 3 . 1 1 5 5 LYS C C 5 179.200 179.200 179.539 -0.339 25135 1780 1 3 . 1 1 5 5 LYS CA C 5 60.000 60.000 58.782 1.218 25135 1781 1 3 . 1 1 5 5 LYS CB C 5 31.900 31.900 31.607 0.293 25135 1782 1 3 . 1 1 5 5 LYS H H 5 7.940 7.940 7.847 0.093 25135 1783 1 3 . 1 1 6 6 HIS N N 6 118.400 118.400 119.416 -1.016 25135 1784 1 3 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.494 -0.074 25135 1785 1 3 . 1 1 6 6 HIS C C 6 178.200 178.200 177.632 0.568 25135 1786 1 3 . 1 1 6 6 HIS CA C 6 59.100 59.100 59.236 -0.136 25135 1787 1 3 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.347 0.553 25135 1788 1 3 . 1 1 6 6 HIS H H 6 7.710 7.710 7.755 -0.045 25135 1789 1 3 . 1 1 7 7 ILE N N 7 120.300 120.300 121.209 -0.909 25135 1790 1 3 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.526 -0.086 25135 1791 1 3 . 1 1 7 7 ILE C C 7 176.500 176.500 177.369 -0.869 25135 1792 1 3 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.429 0.571 25135 1793 1 3 . 1 1 7 7 ILE CB C 7 38.700 38.700 38.028 0.672 25135 1794 1 3 . 1 1 7 7 ILE H H 7 7.950 7.950 8.252 -0.302 25135 1795 1 3 . 1 1 8 8 ILE N N 8 120.200 120.200 119.806 0.394 25135 1796 1 3 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.436 0.144 25135 1797 1 3 . 1 1 8 8 ILE C C 8 178.000 178.000 177.847 0.153 25135 1798 1 3 . 1 1 8 8 ILE CA C 8 65.800 65.800 66.063 -0.263 25135 1799 1 3 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.566 1.034 25135 1800 1 3 . 1 1 8 8 ILE H H 8 8.450 8.450 8.911 -0.461 25135 1801 1 3 . 1 1 9 9 THR N N 9 115.400 115.400 114.592 0.808 25135 1802 1 3 . 1 1 9 9 THR HA H 9 3.880 3.880 3.930 -0.050 25135 1803 1 3 . 1 1 9 9 THR C C 9 176.300 176.300 176.556 -0.256 25135 1804 1 3 . 1 1 9 9 THR CA C 9 66.900 66.900 66.340 0.560 25135 1805 1 3 . 1 1 9 9 THR CB C 9 68.800 68.800 68.832 -0.032 25135 1806 1 3 . 1 1 9 9 THR H H 9 8.120 8.120 7.403 0.717 25135 1807 1 3 . 1 1 10 10 LEU N N 10 122.100 122.100 121.631 0.469 25135 1808 1 3 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.091 -0.041 25135 1809 1 3 . 1 1 10 10 LEU C C 10 178.800 178.800 178.297 0.503 25135 1810 1 3 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.731 1.169 25135 1811 1 3 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.261 1.039 25135 1812 1 3 . 1 1 10 10 LEU H H 10 7.950 7.950 7.471 0.479 25135 1813 1 3 . 1 1 11 11 GLY N N 11 105.800 105.800 105.189 0.611 25135 1814 1 3 . 1 1 11 11 GLY C C 11 174.700 174.700 176.280 -1.580 25135 1815 1 3 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.104 0.396 25135 1816 1 3 . 1 1 11 11 GLY H H 11 8.660 8.660 8.555 0.105 25135 1817 1 3 . 1 1 12 12 GLN N N 12 119.600 119.600 120.108 -0.508 25135 1818 1 3 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.382 -0.392 25135 1819 1 3 . 1 1 12 12 GLN C C 12 179.600 179.600 178.719 0.881 25135 1820 1 3 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.479 1.821 25135 1821 1 3 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.420 -0.520 25135 1822 1 3 . 1 1 12 12 GLN H H 12 8.050 8.050 7.579 0.471 25135 1823 1 3 . 1 1 13 13 VAL N N 13 122.600 122.600 122.054 0.546 25135 1824 1 3 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.662 0.008 25135 1825 1 3 . 1 1 13 13 VAL C C 13 178.500 178.500 177.794 0.706 25135 1826 1 3 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.733 -0.033 25135 1827 1 3 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.470 0.430 25135 1828 1 3 . 1 1 13 13 VAL H H 13 8.300 8.300 7.818 0.482 25135 1829 1 3 . 1 1 14 14 ILE N N 14 121.000 121.000 118.875 2.125 25135 1830 1 3 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.524 -0.054 25135 1831 1 3 . 1 1 14 14 ILE C C 14 177.700 177.700 177.351 0.349 25135 1832 1 3 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.383 0.417 25135 1833 1 3 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.839 0.561 25135 1834 1 3 . 1 1 14 14 ILE H H 14 8.480 8.480 8.482 -0.002 25135 1835 1 3 . 1 1 15 15 HIS N N 15 118.900 118.900 118.377 0.523 25135 1836 1 3 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.398 -0.498 25135 1837 1 3 . 1 1 15 15 HIS C C 15 176.200 176.200 177.060 -0.860 25135 1838 1 3 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.041 2.260 25135 1839 1 3 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.256 -0.256 25135 1840 1 3 . 1 1 15 15 HIS H H 15 8.250 8.250 7.613 0.637 25135 1841 1 3 . 1 1 16 16 LYS N N 16 118.500 118.500 120.490 -1.990 25135 1842 1 3 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.763 -0.093 25135 1843 1 3 . 1 1 16 16 LYS C C 16 179.200 179.200 178.909 0.291 25135 1844 1 3 . 1 1 16 16 LYS CA C 16 59.500 59.500 58.743 0.757 25135 1845 1 3 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.220 0.280 25135 1846 1 3 . 1 1 16 16 LYS H H 16 7.820 7.820 8.243 -0.423 25135 1847 1 3 . 1 1 17 17 ARG N N 17 117.600 117.600 119.393 -1.793 25135 1848 1 3 . 1 1 17 17 ARG HA H 17 3.960 3.960 3.969 -0.009 25135 1849 1 3 . 1 1 17 17 ARG C C 17 180.600 180.600 178.551 2.049 25135 1850 1 3 . 1 1 17 17 ARG CA C 17 59.200 59.200 59.437 -0.237 25135 1851 1 3 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.252 0.248 25135 1852 1 3 . 1 1 17 17 ARG H H 17 8.330 8.330 8.782 -0.452 25135 1853 1 3 . 1 1 18 18 CYS N N 18 118.100 118.100 114.792 3.308 25135 1854 1 3 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.150 -0.260 25135 1855 1 3 . 1 1 18 18 CYS C C 18 177.300 177.300 176.296 1.004 25135 1856 1 3 . 1 1 18 18 CYS CA C 18 65.900 65.900 60.873 5.027 25135 1857 1 3 . 1 1 18 18 CYS CB C 18 27.600 27.600 28.005 -0.405 25135 1858 1 3 . 1 1 18 18 CYS H H 18 8.550 8.550 7.553 0.997 25135 1859 1 3 . 1 1 19 19 GLU N N 19 117.900 117.900 118.821 -0.921 25135 1860 1 3 . 1 1 19 19 GLU HA H 19 3.810 3.810 3.949 -0.139 25135 1861 1 3 . 1 1 19 19 GLU C C 19 177.100 177.100 177.705 -0.605 25135 1862 1 3 . 1 1 19 19 GLU CA C 19 58.300 58.300 58.396 -0.096 25135 1863 1 3 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.602 0.398 25135 1864 1 3 . 1 1 19 19 GLU H H 19 7.540 7.540 7.735 -0.195 25135 1865 1 3 . 1 1 20 20 GLU N N 20 115.400 115.400 114.767 0.633 25135 1866 1 3 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.256 -0.036 25135 1867 1 3 . 1 1 20 20 GLU C C 20 177.100 177.100 176.961 0.139 25135 1868 1 3 . 1 1 20 20 GLU CA C 20 55.900 55.900 56.103 -0.203 25135 1869 1 3 . 1 1 20 20 GLU CB C 20 30.600 30.600 29.931 0.669 25135 1870 1 3 . 1 1 20 20 GLU H H 20 7.190 7.190 7.514 -0.324 25135 1871 1 3 . 1 1 21 21 MET N N 21 120.500 120.500 118.825 1.675 25135 1872 1 3 . 1 1 21 21 MET HA H 21 4.260 4.260 4.243 0.017 25135 1873 1 3 . 1 1 21 21 MET C C 21 177.800 177.800 176.423 1.377 25135 1874 1 3 . 1 1 21 21 MET CA C 21 56.400 56.400 56.513 -0.113 25135 1875 1 3 . 1 1 21 21 MET CB C 21 33.300 33.300 32.603 0.697 25135 1876 1 3 . 1 1 21 21 MET H H 21 6.940 6.940 7.118 -0.178 25135 1877 1 3 . 1 1 22 22 LYS N N 22 120.500 120.500 124.087 -3.587 25135 1878 1 3 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.354 -0.404 25135 1879 1 3 . 1 1 22 22 LYS C C 22 175.400 175.400 175.837 -0.437 25135 1880 1 3 . 1 1 22 22 LYS CA C 22 57.000 57.000 55.786 1.214 25135 1881 1 3 . 1 1 22 22 LYS CB C 22 33.600 33.600 33.310 0.290 25135 1882 1 3 . 1 1 22 22 LYS H H 22 8.760 8.760 8.830 -0.070 25135 1883 1 3 . 1 1 23 23 TYR N N 23 115.500 115.500 116.927 -1.427 25135 1884 1 3 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.587 0.323 25135 1885 1 3 . 1 1 23 23 TYR C C 23 173.700 173.700 174.811 -1.111 25135 1886 1 3 . 1 1 23 23 TYR CA C 23 55.000 55.000 57.915 -2.915 25135 1887 1 3 . 1 1 23 23 TYR CB C 23 41.900 41.900 41.996 -0.096 25135 1888 1 3 . 1 1 23 23 TYR H H 23 7.260 7.260 7.550 -0.290 25135 1889 1 3 . 1 1 24 24 CYS N N 24 113.600 113.600 117.886 -4.286 25135 1890 1 3 . 1 1 24 24 CYS HA H 24 3.700 3.700 4.140 -0.440 25135 1891 1 3 . 1 1 24 24 CYS C C 24 174.700 174.700 176.037 -1.337 25135 1892 1 3 . 1 1 24 24 CYS CA C 24 60.400 60.400 59.750 0.650 25135 1893 1 3 . 1 1 24 24 CYS CB C 24 26.100 26.100 25.766 0.334 25135 1894 1 3 . 1 1 24 24 CYS H H 24 8.720 8.720 9.339 -0.619 25135 1895 1 3 . 1 1 25 25 LYS N N 25 115.800 115.800 118.897 -3.097 25135 1896 1 3 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.803 -0.223 25135 1897 1 3 . 1 1 25 25 LYS C C 25 179.800 179.800 178.501 1.299 25135 1898 1 3 . 1 1 25 25 LYS CA C 25 60.700 60.700 59.069 1.631 25135 1899 1 3 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.007 1.293 25135 1900 1 3 . 1 1 25 25 LYS H H 25 8.050 8.050 8.476 -0.426 25135 1901 1 3 . 1 1 26 26 LYS N N 26 121.000 121.000 119.306 1.694 25135 1902 1 3 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.884 0.106 25135 1903 1 3 . 1 1 26 26 LYS C C 26 181.300 181.300 179.146 2.154 25135 1904 1 3 . 1 1 26 26 LYS CA C 26 59.000 59.000 59.721 -0.721 25135 1905 1 3 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.849 -1.449 25135 1906 1 3 . 1 1 26 26 LYS H H 26 10.600 10.600 8.320 2.280 25135 1907 1 3 . 1 1 27 27 GLN N N 27 120.500 120.500 117.980 2.520 25135 1908 1 3 . 1 1 27 27 GLN HA H 27 3.970 3.970 3.767 0.203 25135 1909 1 3 . 1 1 27 27 GLN C C 27 180.200 180.200 177.953 2.247 25135 1910 1 3 . 1 1 27 27 GLN CA C 27 59.300 59.300 58.438 0.862 25135 1911 1 3 . 1 1 27 27 GLN CB C 27 32.100 32.100 28.646 3.454 25135 1912 1 3 . 1 1 27 27 GLN H H 27 9.890 9.890 7.661 2.229 25135 1913 1 3 . 1 1 28 28 CYS N N 28 118.800 118.800 118.395 0.405 25135 1914 1 3 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.771 0.439 25135 1915 1 3 . 1 1 28 28 CYS C C 28 176.200 176.200 176.632 -0.432 25135 1916 1 3 . 1 1 28 28 CYS CA C 28 64.300 64.300 63.419 0.881 25135 1917 1 3 . 1 1 28 28 CYS CB C 28 26.800 26.800 26.856 -0.056 25135 1918 1 3 . 1 1 28 28 CYS H H 28 8.550 8.550 8.107 0.443 25135 1919 1 3 . 1 1 29 29 ARG N N 29 119.300 119.300 119.462 -0.162 25135 1920 1 3 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.725 0.145 25135 1921 1 3 . 1 1 29 29 ARG C C 29 178.900 178.900 178.530 0.370 25135 1922 1 3 . 1 1 29 29 ARG CA C 29 59.300 59.300 58.882 0.418 25135 1923 1 3 . 1 1 29 29 ARG CB C 29 29.200 29.200 29.192 0.008 25135 1924 1 3 . 1 1 29 29 ARG H H 29 8.700 8.700 8.487 0.213 25135 1925 1 3 . 1 1 30 30 ARG N N 30 119.700 119.700 119.731 -0.031 25135 1926 1 3 . 1 1 30 30 ARG HA H 30 3.890 3.890 4.060 -0.170 25135 1927 1 3 . 1 1 30 30 ARG C C 30 178.000 178.000 178.525 -0.525 25135 1928 1 3 . 1 1 30 30 ARG CA C 30 58.200 58.200 58.642 -0.442 25135 1929 1 3 . 1 1 30 30 ARG CB C 30 29.100 29.100 29.649 -0.549 25135 1930 1 3 . 1 1 30 30 ARG H H 30 7.810 7.810 7.243 0.567 25135 1931 1 3 . 1 1 31 31 LEU N N 31 120.600 120.600 121.233 -0.633 25135 1932 1 3 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.901 0.139 25135 1933 1 3 . 1 1 31 31 LEU C C 31 178.400 178.400 178.388 0.012 25135 1934 1 3 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.907 0.393 25135 1935 1 3 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.966 -0.766 25135 1936 1 3 . 1 1 31 31 LEU H H 31 7.310 7.310 8.328 -1.018 25135 1937 1 3 . 1 1 32 32 GLY N N 32 105.200 105.200 104.994 0.206 25135 1938 1 3 . 1 1 32 32 GLY C C 32 175.600 175.600 175.957 -0.357 25135 1939 1 3 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.375 1.025 25135 1940 1 3 . 1 1 32 32 GLY H H 32 7.960 7.960 8.006 -0.046 25135 1941 1 3 . 1 1 33 33 HIS N N 33 120.500 120.500 122.207 -1.707 25135 1942 1 3 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.141 0.089 25135 1943 1 3 . 1 1 33 33 HIS C C 33 179.400 179.400 178.229 1.171 25135 1944 1 3 . 1 1 33 33 HIS CA C 33 59.600 59.600 58.787 0.813 25135 1945 1 3 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.032 0.568 25135 1946 1 3 . 1 1 33 33 HIS H H 33 8.340 8.340 8.172 0.168 25135 1947 1 3 . 1 1 34 34 ARG N N 34 121.900 121.900 119.073 2.827 25135 1948 1 3 . 1 1 34 34 ARG HA H 34 3.870 3.870 4.042 -0.172 25135 1949 1 3 . 1 1 34 34 ARG C C 34 179.600 179.600 178.485 1.115 25135 1950 1 3 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.192 0.308 25135 1951 1 3 . 1 1 34 34 ARG CB C 34 30.100 30.100 29.928 0.172 25135 1952 1 3 . 1 1 34 34 ARG H H 34 8.680 8.680 8.522 0.158 25135 1953 1 3 . 1 1 35 35 VAL N N 35 118.500 118.500 120.900 -2.400 25135 1954 1 3 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.455 -0.045 25135 1955 1 3 . 1 1 35 35 VAL C C 35 177.600 177.600 178.436 -0.836 25135 1956 1 3 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.436 1.363 25135 1957 1 3 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.559 -0.259 25135 1958 1 3 . 1 1 35 35 VAL H H 35 8.500 8.500 8.214 0.286 25135 1959 1 3 . 1 1 36 36 LEU N N 36 118.300 118.300 120.011 -1.711 25135 1960 1 3 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.815 0.085 25135 1961 1 3 . 1 1 36 36 LEU C C 36 179.600 179.600 178.835 0.765 25135 1962 1 3 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.812 0.188 25135 1963 1 3 . 1 1 36 36 LEU CB C 36 41.400 41.400 41.108 0.292 25135 1964 1 3 . 1 1 36 36 LEU H H 36 7.890 7.890 8.835 -0.945 25135 1965 1 3 . 1 1 37 37 GLY N N 37 104.900 104.900 105.156 -0.256 25135 1966 1 3 . 1 1 37 37 GLY C C 37 175.700 175.700 175.477 0.223 25135 1967 1 3 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.724 -0.024 25135 1968 1 3 . 1 1 37 37 GLY H H 37 7.760 7.760 7.602 0.158 25135 1969 1 3 . 1 1 38 38 LEU N N 38 120.500 120.500 120.124 0.376 25135 1970 1 3 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.590 0.000 25135 1971 1 3 . 1 1 38 38 LEU C C 38 176.900 176.900 177.956 -1.056 25135 1972 1 3 . 1 1 38 38 LEU CA C 38 56.500 56.500 56.139 0.361 25135 1973 1 3 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.147 -0.547 25135 1974 1 3 . 1 1 38 38 LEU H H 38 7.720 7.720 7.538 0.181 25135 1975 1 3 . 1 1 39 39 ILE N N 39 108.700 108.700 116.377 -7.677 25135 1976 1 3 . 1 1 39 39 ILE HA H 39 4.190 4.190 4.040 0.150 25135 1977 1 3 . 1 1 39 39 ILE C C 39 178.100 178.100 177.139 0.961 25135 1978 1 3 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.472 -0.772 25135 1979 1 3 . 1 1 39 39 ILE CB C 39 38.500 38.500 38.041 0.459 25135 1980 1 3 . 1 1 39 39 ILE H H 39 7.540 7.540 7.569 -0.029 25135 1981 1 3 . 1 1 40 40 LYS N N 40 122.800 122.800 122.549 0.251 25135 1982 1 3 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.467 -0.037 25135 1983 1 3 . 1 1 40 40 LYS CA C 40 60.700 60.700 59.714 0.986 25135 1984 1 3 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.456 -0.056 25135 1985 1 3 . 1 1 40 40 LYS H H 40 7.600 7.600 8.578 -0.978 25135 1986 1 3 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.353 0.077 25135 1987 1 3 . 1 1 41 41 PRO C C 41 178.700 178.700 178.802 -0.102 25135 1988 1 3 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.498 0.002 25135 1989 1 3 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.448 0.152 25135 1990 1 3 . 1 1 42 42 LEU N N 42 114.400 114.400 118.704 -4.304 25135 1991 1 3 . 1 1 42 42 LEU HA H 42 4.060 4.060 3.983 0.077 25135 1992 1 3 . 1 1 42 42 LEU C C 42 178.800 178.800 179.214 -0.414 25135 1993 1 3 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.751 -0.651 25135 1994 1 3 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.105 -0.805 25135 1995 1 3 . 1 1 42 42 LEU H H 42 7.200 7.200 7.705 -0.505 25135 1996 1 3 . 1 1 43 43 GLU N N 43 119.200 119.200 118.259 0.941 25135 1997 1 3 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.949 -0.029 25135 1998 1 3 . 1 1 43 43 GLU C C 43 179.100 179.100 178.769 0.331 25135 1999 1 3 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.511 -0.011 25135 2000 1 3 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.426 0.674 25135 2001 1 3 . 1 1 43 43 GLU H H 43 8.120 8.120 7.999 0.121 25135 2002 1 3 . 1 1 44 44 MET N N 44 116.500 116.500 115.247 1.253 25135 2003 1 3 . 1 1 44 44 MET HA H 44 4.310 4.310 4.257 0.053 25135 2004 1 3 . 1 1 44 44 MET C C 44 177.900 177.900 177.406 0.494 25135 2005 1 3 . 1 1 44 44 MET CA C 44 57.600 57.600 57.571 0.029 25135 2006 1 3 . 1 1 44 44 MET CB C 44 32.500 32.500 32.888 -0.388 25135 2007 1 3 . 1 1 44 44 MET H H 44 7.600 7.600 7.593 0.007 25135 2008 1 3 . 1 1 45 45 LEU N N 45 119.900 119.900 117.731 2.169 25135 2009 1 3 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.308 -0.158 25135 2010 1 3 . 1 1 45 45 LEU C C 45 178.000 178.000 178.698 -0.698 25135 2011 1 3 . 1 1 45 45 LEU CA C 45 56.600 56.600 57.646 -1.046 25135 2012 1 3 . 1 1 45 45 LEU CB C 45 42.000 42.000 42.969 -0.969 25135 2013 1 3 . 1 1 45 45 LEU H H 45 7.620 7.620 7.836 -0.216 25135 2014 1 3 . 1 1 46 46 GLN N N 46 118.300 118.300 118.599 -0.299 25135 2015 1 3 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.147 -0.127 25135 2016 1 3 . 1 1 46 46 GLN C C 46 176.500 176.500 177.686 -1.186 25135 2017 1 3 . 1 1 46 46 GLN CA C 46 57.700 57.700 58.164 -0.464 25135 2018 1 3 . 1 1 46 46 GLN CB C 46 29.500 29.500 28.176 1.324 25135 2019 1 3 . 1 1 46 46 GLN H H 46 7.950 7.950 8.577 -0.627 25135 2020 1 3 . 1 1 47 47 ASP N N 47 119.000 119.000 118.855 0.145 25135 2021 1 3 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.323 0.247 25135 2022 1 3 . 1 1 47 47 ASP C C 47 176.900 176.900 178.409 -1.509 25135 2023 1 3 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.885 -1.585 25135 2024 1 3 . 1 1 47 47 ASP CB C 47 41.300 41.300 40.619 0.681 25135 2025 1 3 . 1 1 47 47 ASP H H 47 7.890 7.890 8.177 -0.287 25135 2026 1 3 . 1 1 48 48 GLN N N 48 119.500 119.500 115.978 3.522 25135 2027 1 3 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.114 0.116 25135 2028 1 3 . 1 1 48 48 GLN C C 48 177.200 177.200 177.670 -0.470 25135 2029 1 3 . 1 1 48 48 GLN CA C 48 56.700 56.700 57.482 -0.782 25135 2030 1 3 . 1 1 48 48 GLN CB C 48 29.300 29.300 28.840 0.459 25135 2031 1 3 . 1 1 48 48 GLN H H 48 8.080 8.080 7.764 0.316 25135 2032 1 3 . 1 1 49 49 GLY N N 49 108.100 108.100 107.729 0.371 25135 2033 1 3 . 1 1 49 49 GLY C C 49 174.300 174.300 174.931 -0.631 25135 2034 1 3 . 1 1 49 49 GLY CA C 49 46.000 46.000 45.972 0.028 25135 2035 1 3 . 1 1 49 49 GLY H H 49 8.270 8.270 7.791 0.479 25135 2036 1 3 . 1 1 50 50 LYS N N 50 120.200 120.200 119.054 1.146 25135 2037 1 3 . 1 1 50 50 LYS HA H 50 4.320 4.320 4.075 0.245 25135 2038 1 3 . 1 1 50 50 LYS C C 50 176.400 176.400 176.494 -0.094 25135 2039 1 3 . 1 1 50 50 LYS CA C 50 56.500 56.500 57.893 -1.393 25135 2040 1 3 . 1 1 50 50 LYS CB C 50 32.900 32.900 32.457 0.443 25135 2041 1 3 . 1 1 50 50 LYS H H 50 8.130 8.130 8.380 -0.250 25135 2042 1 3 . 1 1 51 51 ARG N N 51 121.300 121.300 119.895 1.405 25135 2043 1 3 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.510 -0.050 25135 2044 1 3 . 1 1 51 51 ARG C C 51 176.100 176.100 174.085 2.015 25135 2045 1 3 . 1 1 51 51 ARG CA C 51 56.000 56.000 55.612 0.388 25135 2046 1 3 . 1 1 51 51 ARG CB C 51 31.200 31.200 32.512 -1.312 25135 2047 1 3 . 1 1 51 51 ARG H H 51 8.260 8.260 7.783 0.477 25135 2048 1 3 . 1 1 52 52 SER N N 52 116.900 116.900 117.069 -0.169 25135 2049 1 3 . 1 1 52 52 SER HA H 52 4.550 4.550 4.758 -0.208 25135 2050 1 3 . 1 1 52 52 SER C C 52 173.900 173.900 173.328 0.572 25135 2051 1 3 . 1 1 52 52 SER CA C 52 57.800 57.800 57.990 -0.190 25135 2052 1 3 . 1 1 52 52 SER CB C 52 64.300 64.300 63.965 0.335 25135 2053 1 3 . 1 1 52 52 SER H H 52 8.150 8.150 8.578 -0.428 25135 2054 1 3 . 1 1 53 53 VAL N N 53 124.300 124.300 124.344 -0.044 25135 2055 1 3 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.307 -0.017 25135 2056 1 3 . 1 1 53 53 VAL CA C 53 60.400 60.400 59.699 0.701 25135 2057 1 3 . 1 1 53 53 VAL CB C 53 32.500 32.500 32.608 -0.108 25135 2058 1 3 . 1 1 53 53 VAL H H 53 8.420 8.420 8.274 0.146 25135 2059 1 3 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.517 -0.027 25135 2060 1 3 . 1 1 54 54 PRO C C 54 176.600 176.600 176.299 0.301 25135 2061 1 3 . 1 1 54 54 PRO CA C 54 62.500 62.500 62.605 -0.105 25135 2062 1 3 . 1 1 54 54 PRO CB C 54 32.600 32.600 30.357 2.244 25135 2063 1 3 . 1 1 55 55 SER N N 55 119.500 119.500 118.690 0.810 25135 2064 1 3 . 1 1 55 55 SER HA H 55 4.370 4.370 4.382 -0.012 25135 2065 1 3 . 1 1 55 55 SER C C 55 175.500 175.500 176.018 -0.518 25135 2066 1 3 . 1 1 55 55 SER CA C 55 58.200 58.200 56.623 1.577 25135 2067 1 3 . 1 1 55 55 SER CB C 55 64.200 64.200 65.281 -1.081 25135 2068 1 3 . 1 1 55 55 SER H H 55 8.970 8.970 8.093 0.877 25135 2069 1 3 . 1 1 56 56 GLU N N 56 123.000 123.000 124.085 -1.085 25135 2070 1 3 . 1 1 56 56 GLU HA H 56 4.140 4.140 4.037 0.103 25135 2071 1 3 . 1 1 56 56 GLU C C 56 179.300 179.300 178.542 0.758 25135 2072 1 3 . 1 1 56 56 GLU CA C 56 59.700 59.700 60.244 -0.544 25135 2073 1 3 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.743 -0.543 25135 2074 1 3 . 1 1 56 56 GLU H H 56 9.030 9.030 9.072 -0.042 25135 2075 1 3 . 1 1 57 57 LYS N N 57 118.900 118.900 118.264 0.636 25135 2076 1 3 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.085 -0.085 25135 2077 1 3 . 1 1 57 57 LYS C C 57 179.400 179.400 178.228 1.172 25135 2078 1 3 . 1 1 57 57 LYS CA C 57 59.600 59.600 59.020 0.580 25135 2079 1 3 . 1 1 57 57 LYS CB C 57 32.700 32.700 32.129 0.571 25135 2080 1 3 . 1 1 57 57 LYS H H 57 8.150 8.150 7.595 0.555 25135 2081 1 3 . 1 1 58 58 LEU N N 58 122.800 122.800 120.382 2.418 25135 2082 1 3 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.098 0.002 25135 2083 1 3 . 1 1 58 58 LEU C C 58 178.200 178.200 178.371 -0.171 25135 2084 1 3 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.002 0.298 25135 2085 1 3 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.328 -0.828 25135 2086 1 3 . 1 1 58 58 LEU H H 58 8.420 8.420 7.812 0.608 25135 2087 1 3 . 1 1 59 59 THR N N 59 117.800 117.800 113.265 4.535 25135 2088 1 3 . 1 1 59 59 THR HA H 59 3.730 3.730 3.985 -0.255 25135 2089 1 3 . 1 1 59 59 THR C C 59 176.800 176.800 176.408 0.392 25135 2090 1 3 . 1 1 59 59 THR CA C 59 67.500 67.500 66.605 0.895 25135 2091 1 3 . 1 1 59 59 THR CB C 59 68.400 68.400 68.417 -0.017 25135 2092 1 3 . 1 1 59 59 THR H H 59 8.600 8.600 8.439 0.161 25135 2093 1 3 . 1 1 60 60 THR N N 60 118.300 118.300 117.198 1.102 25135 2094 1 3 . 1 1 60 60 THR HA H 60 3.980 3.980 4.049 -0.069 25135 2095 1 3 . 1 1 60 60 THR C C 60 176.400 176.400 176.092 0.308 25135 2096 1 3 . 1 1 60 60 THR CA C 60 66.900 66.900 66.214 0.686 25135 2097 1 3 . 1 1 60 60 THR CB C 60 68.400 68.400 68.660 -0.260 25135 2098 1 3 . 1 1 60 60 THR H H 60 8.390 8.390 7.518 0.872 25135 2099 1 3 . 1 1 61 61 ALA N N 61 124.900 124.900 125.139 -0.239 25135 2100 1 3 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.149 -0.029 25135 2101 1 3 . 1 1 61 61 ALA C C 61 180.000 180.000 179.736 0.264 25135 2102 1 3 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.269 0.531 25135 2103 1 3 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.443 0.357 25135 2104 1 3 . 1 1 61 61 ALA H H 61 8.090 8.090 7.785 0.305 25135 2105 1 3 . 1 1 62 62 MET N N 62 118.300 118.300 117.603 0.697 25135 2106 1 3 . 1 1 62 62 MET HA H 62 4.110 4.110 4.253 -0.143 25135 2107 1 3 . 1 1 62 62 MET C C 62 178.300 178.300 178.755 -0.455 25135 2108 1 3 . 1 1 62 62 MET CA C 62 59.600 59.600 59.775 -0.175 25135 2109 1 3 . 1 1 62 62 MET CB C 62 32.500 32.500 32.234 0.266 25135 2110 1 3 . 1 1 62 62 MET H H 62 8.820 8.820 8.530 0.290 25135 2111 1 3 . 1 1 63 63 ASN N N 63 119.500 119.500 118.590 0.910 25135 2112 1 3 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.516 0.064 25135 2113 1 3 . 1 1 63 63 ASN C C 63 179.000 179.000 177.820 1.180 25135 2114 1 3 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.762 -0.462 25135 2115 1 3 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.349 -0.649 25135 2116 1 3 . 1 1 63 63 ASN H H 63 8.320 8.320 8.785 -0.465 25135 2117 1 3 . 1 1 64 64 ARG N N 64 122.500 122.500 120.583 1.917 25135 2118 1 3 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.151 0.039 25135 2119 1 3 . 1 1 64 64 ARG C C 64 179.300 179.300 179.097 0.203 25135 2120 1 3 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.494 0.206 25135 2121 1 3 . 1 1 64 64 ARG CB C 64 30.700 30.700 30.114 0.586 25135 2122 1 3 . 1 1 64 64 ARG H H 64 8.560 8.560 8.138 0.422 25135 2123 1 3 . 1 1 65 65 PHE N N 65 123.100 123.100 122.304 0.796 25135 2124 1 3 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.306 0.164 25135 2125 1 3 . 1 1 65 65 PHE C C 65 176.400 176.400 176.938 -0.538 25135 2126 1 3 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.458 1.142 25135 2127 1 3 . 1 1 65 65 PHE CB C 65 39.400 39.400 38.962 0.438 25135 2128 1 3 . 1 1 65 65 PHE H H 65 8.560 8.560 8.874 -0.314 25135 2129 1 3 . 1 1 66 66 LYS N N 66 119.800 119.800 119.700 0.100 25135 2130 1 3 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.782 -0.162 25135 2131 1 3 . 1 1 66 66 LYS C C 66 177.600 177.600 178.845 -1.245 25135 2132 1 3 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.668 1.032 25135 2133 1 3 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.304 0.196 25135 2134 1 3 . 1 1 66 66 LYS H H 66 8.610 8.610 8.874 -0.264 25135 2135 1 3 . 1 1 67 67 ALA N N 67 119.000 119.000 121.341 -2.341 25135 2136 1 3 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.133 0.097 25135 2137 1 3 . 1 1 67 67 ALA C C 67 180.400 180.400 179.317 1.083 25135 2138 1 3 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.758 0.242 25135 2139 1 3 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.559 -0.559 25135 2140 1 3 . 1 1 67 67 ALA H H 67 8.000 8.000 8.364 -0.364 25135 2141 1 3 . 1 1 68 68 ALA N N 68 122.200 122.200 121.760 0.440 25135 2142 1 3 . 1 1 68 68 ALA HA H 68 4.190 4.190 3.973 0.217 25135 2143 1 3 . 1 1 68 68 ALA C C 68 179.800 179.800 179.581 0.219 25135 2144 1 3 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.979 0.221 25135 2145 1 3 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.549 -0.749 25135 2146 1 3 . 1 1 68 68 ALA H H 68 7.950 7.950 8.404 -0.454 25135 2147 1 3 . 1 1 69 69 LEU N N 69 118.900 118.900 119.370 -0.470 25135 2148 1 3 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.852 -0.002 25135 2149 1 3 . 1 1 69 69 LEU C C 69 179.200 179.200 179.072 0.128 25135 2150 1 3 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.216 -0.716 25135 2151 1 3 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.563 -0.163 25135 2152 1 3 . 1 1 69 69 LEU H H 69 8.020 8.020 8.374 -0.354 25135 2153 1 3 . 1 1 70 70 GLU N N 70 120.500 120.500 117.490 3.010 25135 2154 1 3 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.813 0.127 25135 2155 1 3 . 1 1 70 70 GLU C C 70 180.500 180.500 178.867 1.633 25135 2156 1 3 . 1 1 70 70 GLU CA C 70 59.900 59.900 59.947 -0.047 25135 2157 1 3 . 1 1 70 70 GLU CB C 70 29.200 29.200 28.814 0.386 25135 2158 1 3 . 1 1 70 70 GLU H H 70 8.590 8.590 7.904 0.686 25135 2159 1 3 . 1 1 71 71 GLU N N 71 122.200 122.200 118.930 3.270 25135 2160 1 3 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.103 -0.033 25135 2161 1 3 . 1 1 71 71 GLU C C 71 179.600 179.600 178.741 0.859 25135 2162 1 3 . 1 1 71 71 GLU CA C 71 59.400 59.400 59.104 0.296 25135 2163 1 3 . 1 1 71 71 GLU CB C 71 29.400 29.400 28.434 0.966 25135 2164 1 3 . 1 1 71 71 GLU H H 71 8.300 8.300 7.608 0.692 25135 2165 1 3 . 1 1 72 72 ALA N N 72 122.800 122.800 123.296 -0.496 25135 2166 1 3 . 1 1 72 72 ALA HA H 72 3.890 3.890 4.085 -0.195 25135 2167 1 3 . 1 1 72 72 ALA C C 72 178.500 178.500 179.729 -1.229 25135 2168 1 3 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.271 0.429 25135 2169 1 3 . 1 1 72 72 ALA CB C 72 17.200 17.200 17.951 -0.751 25135 2170 1 3 . 1 1 72 72 ALA H H 72 8.330 8.330 7.758 0.572 25135 2171 1 3 . 1 1 73 73 ASN N N 73 115.700 115.700 117.460 -1.760 25135 2172 1 3 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.336 0.114 25135 2173 1 3 . 1 1 73 73 ASN C C 73 177.600 177.600 177.768 -0.168 25135 2174 1 3 . 1 1 73 73 ASN CA C 73 56.300 56.300 56.698 -0.398 25135 2175 1 3 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.415 0.485 25135 2176 1 3 . 1 1 73 73 ASN H H 73 8.460 8.460 8.757 -0.297 25135 2177 1 3 . 1 1 74 74 GLY N N 74 105.500 105.500 108.467 -2.967 25135 2178 1 3 . 1 1 74 74 GLY C C 74 177.100 177.100 176.371 0.729 25135 2179 1 3 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.913 0.088 25135 2180 1 3 . 1 1 74 74 GLY H H 74 8.070 8.070 8.619 -0.549 25135 2181 1 3 . 1 1 75 75 GLU N N 75 123.500 123.500 122.847 0.653 25135 2182 1 3 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.784 0.326 25135 2183 1 3 . 1 1 75 75 GLU C C 75 178.500 178.500 179.314 -0.814 25135 2184 1 3 . 1 1 75 75 GLU CA C 75 58.700 58.700 59.531 -0.831 25135 2185 1 3 . 1 1 75 75 GLU CB C 75 29.900 29.900 29.703 0.197 25135 2186 1 3 . 1 1 75 75 GLU H H 75 8.110 8.110 8.305 -0.195 25135 2187 1 3 . 1 1 76 76 ILE N N 76 120.300 120.300 118.769 1.531 25135 2188 1 3 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.889 -0.069 25135 2189 1 3 . 1 1 76 76 ILE C C 76 178.300 178.300 177.522 0.778 25135 2190 1 3 . 1 1 76 76 ILE CA C 76 65.500 65.500 65.242 0.258 25135 2191 1 3 . 1 1 76 76 ILE CB C 76 37.900 37.900 38.169 -0.269 25135 2192 1 3 . 1 1 76 76 ILE H H 76 8.330 8.330 8.608 -0.278 25135 2193 1 3 . 1 1 77 77 GLU N N 77 119.400 119.400 118.780 0.620 25135 2194 1 3 . 1 1 77 77 GLU HA H 77 3.920 3.920 4.072 -0.152 25135 2195 1 3 . 1 1 77 77 GLU C C 77 180.200 180.200 179.516 0.684 25135 2196 1 3 . 1 1 77 77 GLU CA C 77 59.700 59.700 59.141 0.559 25135 2197 1 3 . 1 1 77 77 GLU CB C 77 29.300 29.300 29.734 -0.434 25135 2198 1 3 . 1 1 77 77 GLU H H 77 7.860 7.860 8.070 -0.210 25135 2199 1 3 . 1 1 78 78 LYS N N 78 121.600 121.600 119.976 1.624 25135 2200 1 3 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.036 -0.136 25135 2201 1 3 . 1 1 78 78 LYS C C 78 179.200 179.200 178.139 1.061 25135 2202 1 3 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.309 1.591 25135 2203 1 3 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.202 0.098 25135 2204 1 3 . 1 1 78 78 LYS H H 78 7.760 7.760 8.443 -0.683 25135 2205 1 3 . 1 1 79 79 PHE N N 79 115.900 115.900 115.820 0.080 25135 2206 1 3 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.583 0.097 25135 2207 1 3 . 1 1 79 79 PHE C C 79 174.100 174.100 176.162 -2.062 25135 2208 1 3 . 1 1 79 79 PHE CA C 79 58.200 58.200 57.251 0.949 25135 2209 1 3 . 1 1 79 79 PHE CB C 79 36.900 36.900 38.854 -1.954 25135 2210 1 3 . 1 1 79 79 PHE H H 79 8.170 8.170 7.551 0.619 25135 2211 1 3 . 1 1 80 80 SER N N 80 113.300 113.300 114.294 -0.994 25135 2212 1 3 . 1 1 80 80 SER HA H 80 4.500 4.500 4.243 0.257 25135 2213 1 3 . 1 1 80 80 SER C C 80 173.700 173.700 174.297 -0.597 25135 2214 1 3 . 1 1 80 80 SER CA C 80 60.500 60.500 60.595 -0.095 25135 2215 1 3 . 1 1 80 80 SER CB C 80 63.400 63.400 63.710 -0.310 25135 2216 1 3 . 1 1 80 80 SER H H 80 7.700 7.700 7.402 0.298 25135 2217 1 3 . 1 1 81 81 ASN N N 81 119.500 119.500 118.886 0.614 25135 2218 1 3 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.736 0.234 25135 2219 1 3 . 1 1 81 81 ASN CA C 81 52.100 52.100 52.675 -0.575 25135 2220 1 3 . 1 1 81 81 ASN CB C 81 40.300 40.300 38.777 1.523 25135 2221 1 3 . 1 1 81 81 ASN H H 81 7.290 7.290 7.923 -0.633 25135 2222 1 3 . 1 1 82 82 ARG N N 82 127.400 127.400 126.554 0.846 25135 2223 1 3 . 1 1 82 82 ARG HA H 82 3.590 3.590 2.985 0.605 25135 2224 1 3 . 1 1 82 82 ARG C C 82 177.700 177.700 177.623 0.077 25135 2225 1 3 . 1 1 82 82 ARG CA C 82 59.800 59.800 59.299 0.501 25135 2226 1 3 . 1 1 82 82 ARG CB C 82 30.100 30.100 29.261 0.839 25135 2227 1 3 . 1 1 82 82 ARG H H 82 9.050 9.050 8.666 0.384 25135 2228 1 3 . 1 1 83 83 SER N N 83 114.600 114.600 113.376 1.224 25135 2229 1 3 . 1 1 83 83 SER HA H 83 3.930 3.930 4.218 -0.288 25135 2230 1 3 . 1 1 83 83 SER C C 83 177.100 177.100 175.986 1.114 25135 2231 1 3 . 1 1 83 83 SER CA C 83 62.200 62.200 61.256 0.944 25135 2232 1 3 . 1 1 83 83 SER CB C 83 62.000 62.000 62.740 -0.740 25135 2233 1 3 . 1 1 83 83 SER H H 83 8.390 8.390 8.397 -0.007 25135 2234 1 3 . 1 1 84 84 ASN N N 84 119.700 119.700 119.617 0.083 25135 2235 1 3 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.665 -0.065 25135 2236 1 3 . 1 1 84 84 ASN C C 84 179.100 179.100 177.831 1.269 25135 2237 1 3 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.616 -0.216 25135 2238 1 3 . 1 1 84 84 ASN CB C 84 37.600 37.600 38.760 -1.160 25135 2239 1 3 . 1 1 84 84 ASN H H 84 7.980 7.980 7.775 0.205 25135 2240 1 3 . 1 1 85 85 ILE N N 85 122.100 122.100 122.452 -0.352 25135 2241 1 3 . 1 1 85 85 ILE HA H 85 3.820 3.820 3.984 -0.164 25135 2242 1 3 . 1 1 85 85 ILE C C 85 176.900 176.900 177.381 -0.481 25135 2243 1 3 . 1 1 85 85 ILE CA C 85 64.700 64.700 65.088 -0.388 25135 2244 1 3 . 1 1 85 85 ILE CB C 85 37.400 37.400 36.807 0.593 25135 2245 1 3 . 1 1 85 85 ILE H H 85 7.760 7.760 7.664 0.096 25135 2246 1 3 . 1 1 86 86 CYS N N 86 119.200 119.200 117.293 1.907 25135 2247 1 3 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.744 0.196 25135 2248 1 3 . 1 1 86 86 CYS C C 86 177.400 177.400 177.338 0.062 25135 2249 1 3 . 1 1 86 86 CYS CA C 86 63.800 63.800 63.581 0.219 25135 2250 1 3 . 1 1 86 86 CYS CB C 86 26.900 26.900 26.590 0.310 25135 2251 1 3 . 1 1 86 86 CYS H H 86 8.330 8.330 8.094 0.236 25135 2252 1 3 . 1 1 87 87 ARG N N 87 119.200 119.200 118.796 0.404 25135 2253 1 3 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.234 -0.214 25135 2254 1 3 . 1 1 87 87 ARG C C 87 178.500 178.500 178.826 -0.326 25135 2255 1 3 . 1 1 87 87 ARG CA C 87 59.500 59.500 59.400 0.100 25135 2256 1 3 . 1 1 87 87 ARG CB C 87 30.300 30.300 30.379 -0.079 25135 2257 1 3 . 1 1 87 87 ARG H H 87 7.900 7.900 7.492 0.408 25135 2258 1 3 . 1 1 88 88 PHE N N 88 120.300 120.300 121.491 -1.191 25135 2259 1 3 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.424 -0.204 25135 2260 1 3 . 1 1 88 88 PHE C C 88 177.200 177.200 177.392 -0.192 25135 2261 1 3 . 1 1 88 88 PHE CA C 88 61.500 61.500 60.315 1.185 25135 2262 1 3 . 1 1 88 88 PHE CB C 88 39.800 39.800 38.878 0.922 25135 2263 1 3 . 1 1 88 88 PHE H H 88 7.760 7.760 8.472 -0.712 25135 2264 1 3 . 1 1 89 89 LEU N N 89 117.900 117.900 119.946 -2.046 25135 2265 1 3 . 1 1 89 89 LEU HA H 89 3.640 3.640 3.185 0.455 25135 2266 1 3 . 1 1 89 89 LEU C C 89 178.700 178.700 178.561 0.139 25135 2267 1 3 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.420 -0.020 25135 2268 1 3 . 1 1 89 89 LEU CB C 89 41.600 41.600 40.861 0.738 25135 2269 1 3 . 1 1 89 89 LEU H H 89 8.590 8.590 8.384 0.206 25135 2270 1 3 . 1 1 90 90 THR N N 90 112.000 112.000 112.396 -0.396 25135 2271 1 3 . 1 1 90 90 THR HA H 90 3.980 3.980 4.115 -0.135 25135 2272 1 3 . 1 1 90 90 THR C C 90 174.900 174.900 176.218 -1.318 25135 2273 1 3 . 1 1 90 90 THR CA C 90 65.200 65.200 65.370 -0.170 25135 2274 1 3 . 1 1 90 90 THR CB C 90 69.300 69.300 69.176 0.124 25135 2275 1 3 . 1 1 90 90 THR H H 90 7.690 7.690 7.546 0.144 25135 2276 1 3 . 1 1 91 91 ALA N N 91 122.400 122.400 121.691 0.709 25135 2277 1 3 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.325 -0.055 25135 2278 1 3 . 1 1 91 91 ALA C C 91 177.500 177.500 177.385 0.115 25135 2279 1 3 . 1 1 91 91 ALA CA C 91 53.000 53.000 52.291 0.709 25135 2280 1 3 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.400 0.600 25135 2281 1 3 . 1 1 91 91 ALA H H 91 7.220 7.220 7.715 -0.495 25135 2282 1 3 . 1 1 92 92 SER N N 92 112.900 112.900 113.216 -0.316 25135 2283 1 3 . 1 1 92 92 SER HA H 92 4.130 4.130 4.187 -0.057 25135 2284 1 3 . 1 1 92 92 SER CA C 92 57.600 57.600 58.667 -1.067 25135 2285 1 3 . 1 1 92 92 SER CB C 92 64.000 64.000 61.752 2.248 25135 2286 1 3 . 1 1 92 92 SER H H 92 7.510 7.510 7.831 -0.321 25135 2287 1 3 . 1 1 93 93 GLN N N 93 125.700 125.700 122.737 2.963 25135 2288 1 3 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.243 -0.043 25135 2289 1 3 . 1 1 93 93 GLN C C 93 176.700 176.700 176.829 -0.129 25135 2290 1 3 . 1 1 93 93 GLN CA C 93 57.700 57.700 58.798 -1.098 25135 2291 1 3 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.441 -0.441 25135 2292 1 3 . 1 1 93 93 GLN H H 93 8.710 8.710 8.587 0.123 25135 2293 1 3 . 1 1 94 94 ASP N N 94 116.400 116.400 114.542 1.858 25135 2294 1 3 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.784 -0.224 25135 2295 1 3 . 1 1 94 94 ASP CA C 94 54.000 54.000 54.195 -0.195 25135 2296 1 3 . 1 1 94 94 ASP CB C 94 41.700 41.700 41.870 -0.170 25135 2297 1 3 . 1 1 94 94 ASP H H 94 7.800 7.800 8.639 -0.839 25135 2298 1 3 . 1 1 95 95 LYS N N 95 114.300 114.300 116.506 -2.206 25135 2299 1 3 . 1 1 95 95 LYS H H 95 8.290 8.290 8.679 -0.389 25135 2300 1 3 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.486 -0.166 25135 2301 1 3 . 1 1 96 96 ILE C C 96 177.000 177.000 176.534 0.466 25135 2302 1 3 . 1 1 96 96 ILE CA C 96 60.800 60.800 60.115 0.685 25135 2303 1 3 . 1 1 96 96 ILE CB C 96 38.100 38.100 39.740 -1.641 25135 2304 1 3 . 1 1 97 97 LEU N N 97 131.100 131.100 127.206 3.894 25135 2305 1 3 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.592 -0.472 25135 2306 1 3 . 1 1 97 97 LEU C C 97 177.200 177.200 177.910 -0.710 25135 2307 1 3 . 1 1 97 97 LEU CA C 97 58.000 58.000 58.517 -0.517 25135 2308 1 3 . 1 1 97 97 LEU CB C 97 42.900 42.900 41.974 0.926 25135 2309 1 3 . 1 1 97 97 LEU H H 97 8.620 8.620 9.177 -0.557 25135 2310 1 3 . 1 1 98 98 PHE N N 98 113.600 113.600 112.427 1.173 25135 2311 1 3 . 1 1 98 98 PHE HA H 98 5.100 5.100 5.242 -0.142 25135 2312 1 3 . 1 1 98 98 PHE C C 98 175.400 175.400 175.372 0.028 25135 2313 1 3 . 1 1 98 98 PHE CA C 98 55.700 55.700 53.602 2.098 25135 2314 1 3 . 1 1 98 98 PHE CB C 98 37.600 37.600 37.273 0.327 25135 2315 1 3 . 1 1 98 98 PHE H H 98 8.450 8.450 8.330 0.120 25135 2316 1 3 . 1 1 99 99 LYS N N 99 119.500 119.500 124.203 -4.703 25135 2317 1 3 . 1 1 99 99 LYS HA H 99 3.880 3.880 4.052 -0.172 25135 2318 1 3 . 1 1 99 99 LYS C C 99 178.900 178.900 178.022 0.878 25135 2319 1 3 . 1 1 99 99 LYS CA C 99 61.100 61.100 59.737 1.363 25135 2320 1 3 . 1 1 99 99 LYS CB C 99 33.500 33.500 32.616 0.884 25135 2321 1 3 . 1 1 99 99 LYS H H 99 6.790 6.790 7.406 -0.616 25135 2322 1 3 . 1 1 100 100 ASP N N 100 117.800 117.800 118.922 -1.122 25135 2323 1 3 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.438 0.172 25135 2324 1 3 . 1 1 100 100 ASP C C 100 179.000 179.000 178.514 0.486 25135 2325 1 3 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.021 0.779 25135 2326 1 3 . 1 1 100 100 ASP CB C 100 40.400 40.400 40.588 -0.188 25135 2327 1 3 . 1 1 100 100 ASP H H 100 8.520 8.520 8.568 -0.048 25135 2328 1 3 . 1 1 101 101 VAL N N 101 122.600 122.600 119.352 3.248 25135 2329 1 3 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.859 0.001 25135 2330 1 3 . 1 1 101 101 VAL C C 101 177.100 177.100 177.610 -0.510 25135 2331 1 3 . 1 1 101 101 VAL CA C 101 65.700 65.700 65.201 0.499 25135 2332 1 3 . 1 1 101 101 VAL CB C 101 32.300 32.300 31.753 0.547 25135 2333 1 3 . 1 1 101 101 VAL H H 101 8.210 8.210 7.851 0.359 25135 2334 1 3 . 1 1 102 102 ASN N N 102 121.000 121.000 118.162 2.838 25135 2335 1 3 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.548 0.012 25135 2336 1 3 . 1 1 102 102 ASN C C 102 178.500 178.500 177.605 0.895 25135 2337 1 3 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.229 -0.029 25135 2338 1 3 . 1 1 102 102 ASN CB C 102 37.900 37.900 37.714 0.186 25135 2339 1 3 . 1 1 102 102 ASN H H 102 9.060 9.060 7.996 1.064 25135 2340 1 3 . 1 1 103 103 ARG N N 103 120.700 120.700 119.006 1.694 25135 2341 1 3 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.134 0.026 25135 2342 1 3 . 1 1 103 103 ARG C C 103 177.900 177.900 177.942 -0.042 25135 2343 1 3 . 1 1 103 103 ARG CA C 103 59.100 59.100 59.296 -0.196 25135 2344 1 3 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.597 -0.697 25135 2345 1 3 . 1 1 103 103 ARG H H 103 7.640 7.640 7.883 -0.243 25135 2346 1 3 . 1 1 104 104 LYS N N 104 119.700 119.700 120.766 -1.066 25135 2347 1 3 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.251 -0.061 25135 2348 1 3 . 1 1 104 104 LYS C C 104 179.300 179.300 178.730 0.570 25135 2349 1 3 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.153 0.947 25135 2350 1 3 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.725 -0.225 25135 2351 1 3 . 1 1 104 104 LYS H H 104 7.960 7.960 7.567 0.393 25135 2352 1 3 . 1 1 105 105 LEU N N 105 118.200 118.200 121.423 -3.223 25135 2353 1 3 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.195 -0.155 25135 2354 1 3 . 1 1 105 105 LEU C C 105 178.400 178.400 178.575 -0.175 25135 2355 1 3 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.089 0.411 25135 2356 1 3 . 1 1 105 105 LEU CB C 105 42.500 42.500 41.975 0.525 25135 2357 1 3 . 1 1 105 105 LEU H H 105 8.990 8.990 9.030 -0.040 25135 2358 1 3 . 1 1 106 106 SER N N 106 111.700 111.700 114.598 -2.898 25135 2359 1 3 . 1 1 106 106 SER HA H 106 3.870 3.870 4.422 -0.552 25135 2360 1 3 . 1 1 106 106 SER C C 106 177.500 177.500 176.877 0.623 25135 2361 1 3 . 1 1 106 106 SER CA C 106 61.400 61.400 62.347 -0.947 25135 2362 1 3 . 1 1 106 106 SER CB C 106 62.600 62.600 62.501 0.099 25135 2363 1 3 . 1 1 106 106 SER H H 106 7.980 7.980 7.848 0.132 25135 2364 1 3 . 1 1 107 107 ASP N N 107 122.000 122.000 122.301 -0.301 25135 2365 1 3 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.347 0.093 25135 2366 1 3 . 1 1 107 107 ASP C C 107 179.700 179.700 178.619 1.081 25135 2367 1 3 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.722 0.178 25135 2368 1 3 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.736 -0.136 25135 2369 1 3 . 1 1 107 107 ASP H H 107 8.500 8.500 7.656 0.844 25135 2370 1 3 . 1 1 108 108 VAL N N 108 119.200 119.200 119.103 0.097 25135 2371 1 3 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.778 0.232 25135 2372 1 3 . 1 1 108 108 VAL C C 108 178.400 178.400 177.376 1.024 25135 2373 1 3 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.678 -1.078 25135 2374 1 3 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.291 0.208 25135 2375 1 3 . 1 1 108 108 VAL H H 108 8.830 8.830 7.648 1.182 25135 2376 1 3 . 1 1 109 109 TRP N N 109 121.900 121.900 120.982 0.918 25135 2377 1 3 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.920 0.350 25135 2378 1 3 . 1 1 109 109 TRP C C 109 178.000 178.000 178.064 -0.064 25135 2379 1 3 . 1 1 109 109 TRP CA C 109 60.100 60.100 59.726 0.374 25135 2380 1 3 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.493 0.207 25135 2381 1 3 . 1 1 109 109 TRP H H 109 8.710 8.710 7.723 0.987 25135 2382 1 3 . 1 1 110 110 LYS N N 110 119.500 119.500 117.808 1.692 25135 2383 1 3 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.683 -0.053 25135 2384 1 3 . 1 1 110 110 LYS C C 110 178.000 178.000 178.929 -0.929 25135 2385 1 3 . 1 1 110 110 LYS CA C 110 60.500 60.500 60.098 0.402 25135 2386 1 3 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.022 0.178 25135 2387 1 3 . 1 1 110 110 LYS H H 110 8.010 8.010 7.712 0.298 25135 2388 1 3 . 1 1 111 111 GLU N N 111 116.700 116.700 118.955 -2.255 25135 2389 1 3 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.149 -0.139 25135 2390 1 3 . 1 1 111 111 GLU C C 111 178.400 178.400 178.896 -0.496 25135 2391 1 3 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.247 0.553 25135 2392 1 3 . 1 1 111 111 GLU CB C 111 30.400 30.400 30.101 0.299 25135 2393 1 3 . 1 1 111 111 GLU H H 111 7.000 7.000 7.653 -0.653 25135 2394 1 3 . 1 1 112 112 LEU N N 112 119.000 119.000 121.955 -2.955 25135 2395 1 3 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.154 -0.414 25135 2396 1 3 . 1 1 112 112 LEU C C 112 177.600 177.600 177.760 -0.160 25135 2397 1 3 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.197 0.603 25135 2398 1 3 . 1 1 112 112 LEU CB C 112 42.200 42.200 42.066 0.134 25135 2399 1 3 . 1 1 112 112 LEU H H 112 8.380 8.380 8.349 0.031 25135 2400 1 3 . 1 1 113 113 SER N N 113 113.100 113.100 114.499 -1.399 25135 2401 1 3 . 1 1 113 113 SER HA H 113 3.190 3.190 3.560 -0.370 25135 2402 1 3 . 1 1 113 113 SER C C 113 176.300 176.300 175.965 0.335 25135 2403 1 3 . 1 1 113 113 SER CA C 113 61.600 61.600 61.173 0.427 25135 2404 1 3 . 1 1 113 113 SER CB C 113 61.800 61.800 61.998 -0.198 25135 2405 1 3 . 1 1 113 113 SER H H 113 8.490 8.490 7.988 0.502 25135 2406 1 3 . 1 1 114 114 LEU N N 114 121.500 121.500 121.307 0.193 25135 2407 1 3 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.018 0.002 25135 2408 1 3 . 1 1 114 114 LEU C C 114 179.100 179.100 177.626 1.474 25135 2409 1 3 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.556 0.444 25135 2410 1 3 . 1 1 114 114 LEU CB C 114 41.800 41.800 40.621 1.179 25135 2411 1 3 . 1 1 114 114 LEU H H 114 6.810 6.810 7.240 -0.430 25135 2412 1 3 . 1 1 115 115 LEU N N 115 118.200 118.200 118.340 -0.140 25135 2413 1 3 . 1 1 115 115 LEU HA H 115 4.060 4.060 3.990 0.070 25135 2414 1 3 . 1 1 115 115 LEU C C 115 179.600 179.600 179.279 0.321 25135 2415 1 3 . 1 1 115 115 LEU CA C 115 57.700 57.700 57.085 0.615 25135 2416 1 3 . 1 1 115 115 LEU CB C 115 43.100 43.100 41.913 1.187 25135 2417 1 3 . 1 1 115 115 LEU H H 115 7.270 7.270 7.120 0.150 25135 2418 1 3 . 1 1 116 116 LEU N N 116 118.700 118.700 120.517 -1.817 25135 2419 1 3 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.833 0.017 25135 2420 1 3 . 1 1 116 116 LEU C C 116 179.300 179.300 179.419 -0.119 25135 2421 1 3 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.146 -0.546 25135 2422 1 3 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.625 -0.225 25135 2423 1 3 . 1 1 116 116 LEU H H 116 8.440 8.440 8.252 0.188 25135 2424 1 3 . 1 1 117 117 GLN N N 117 119.500 119.500 117.180 2.320 25135 2425 1 3 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.187 0.153 25135 2426 1 3 . 1 1 117 117 GLN C C 117 178.200 178.200 178.361 -0.161 25135 2427 1 3 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.876 -0.076 25135 2428 1 3 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.688 0.112 25135 2429 1 3 . 1 1 117 117 GLN H H 117 8.030 8.030 8.466 -0.436 25135 2430 1 3 . 1 1 118 118 VAL N N 118 117.600 117.600 118.975 -1.375 25135 2431 1 3 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.860 -0.020 25135 2432 1 3 . 1 1 118 118 VAL C C 118 177.900 177.900 177.416 0.484 25135 2433 1 3 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.040 0.360 25135 2434 1 3 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.771 1.129 25135 2435 1 3 . 1 1 118 118 VAL H H 118 8.110 8.110 7.571 0.539 25135 2436 1 3 . 1 1 119 119 GLU N N 119 116.900 116.900 117.154 -0.254 25135 2437 1 3 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.207 0.103 25135 2438 1 3 . 1 1 119 119 GLU C C 119 177.700 177.700 178.702 -1.002 25135 2439 1 3 . 1 1 119 119 GLU CA C 119 58.400 58.400 58.300 0.100 25135 2440 1 3 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.796 0.904 25135 2441 1 3 . 1 1 119 119 GLU H H 119 8.620 8.620 8.285 0.335 25135 2442 1 3 . 1 1 120 120 GLN N N 120 113.300 113.300 116.528 -3.228 25135 2443 1 3 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.374 0.076 25135 2444 1 3 . 1 1 120 120 GLN C C 120 174.700 174.700 176.599 -1.899 25135 2445 1 3 . 1 1 120 120 GLN CA C 120 54.500 54.500 55.686 -1.186 25135 2446 1 3 . 1 1 120 120 GLN CB C 120 28.600 28.600 29.776 -1.176 25135 2447 1 3 . 1 1 120 120 GLN H H 120 7.350 7.350 8.036 -0.686 25135 2448 1 3 . 1 1 121 121 ARG N N 121 114.800 114.800 114.912 -0.112 25135 2449 1 3 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.129 -0.009 25135 2450 1 3 . 1 1 121 121 ARG C C 121 175.600 175.600 175.689 -0.089 25135 2451 1 3 . 1 1 121 121 ARG CA C 121 56.600 56.600 57.025 -0.425 25135 2452 1 3 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.993 -0.293 25135 2453 1 3 . 1 1 121 121 ARG H H 121 7.410 7.410 7.898 -0.488 25135 2454 1 3 . 1 1 122 122 MET N N 122 120.300 120.300 117.570 2.730 25135 2455 1 3 . 1 1 122 122 MET HA H 122 4.600 4.600 4.828 -0.228 25135 2456 1 3 . 1 1 122 122 MET CA C 122 53.700 53.700 53.388 0.312 25135 2457 1 3 . 1 1 122 122 MET CB C 122 34.700 34.700 32.498 2.202 25135 2458 1 3 . 1 1 122 122 MET H H 122 7.760 7.760 7.491 0.269 25135 2459 1 3 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.426 0.054 25135 2460 1 3 . 1 1 123 123 PRO C C 123 176.300 176.300 175.702 0.598 25135 2461 1 3 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.569 -0.769 25135 2462 1 3 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.744 -0.444 25135 2463 1 3 . 1 1 124 124 VAL N N 124 120.000 120.000 121.306 -1.306 25135 2464 1 3 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.360 -0.280 25135 2465 1 3 . 1 1 124 124 VAL C C 124 175.800 175.800 174.929 0.871 25135 2466 1 3 . 1 1 124 124 VAL CA C 124 61.700 61.700 60.863 0.837 25135 2467 1 3 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.626 -1.526 25135 2468 1 3 . 1 1 124 124 VAL H H 124 8.080 8.080 8.126 -0.046 25135 2469 1 3 . 1 1 125 125 SER N N 125 121.200 121.200 118.113 3.087 25135 2470 1 3 . 1 1 125 125 SER HA H 125 4.800 4.800 4.863 -0.063 25135 2471 1 3 . 1 1 125 125 SER CA C 125 56.200 56.200 56.024 0.176 25135 2472 1 3 . 1 1 125 125 SER CB C 125 63.700 63.700 63.990 -0.290 25135 2473 1 3 . 1 1 125 125 SER H H 125 8.380 8.380 8.245 0.135 25135 2474 1 3 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.427 0.053 25135 2475 1 3 . 1 1 126 126 PRO C C 126 177.100 177.100 176.290 0.810 25135 2476 1 3 . 1 1 126 126 PRO CA C 126 63.400 63.400 63.008 0.392 25135 2477 1 3 . 1 1 126 126 PRO CB C 126 31.900 31.900 29.968 1.933 25135 2478 1 3 . 1 1 127 127 ILE N N 127 119.900 119.900 119.003 0.897 25135 2479 1 3 . 1 1 127 127 ILE HA H 127 4.140 4.140 4.028 0.112 25135 2480 1 3 . 1 1 127 127 ILE C C 127 176.300 176.300 176.900 -0.600 25135 2481 1 3 . 1 1 127 127 ILE CA C 127 61.300 61.300 61.645 -0.346 25135 2482 1 3 . 1 1 127 127 ILE CB C 127 38.800 38.800 35.579 3.221 25135 2483 1 3 . 1 1 127 127 ILE H H 127 8.050 8.050 8.843 -0.793 25135 2484 1 3 . 1 1 128 128 SER N N 128 119.000 119.000 117.794 1.206 25135 2485 1 3 . 1 1 128 128 SER HA H 128 4.400 4.400 4.038 0.362 25135 2486 1 3 . 1 1 128 128 SER C C 128 174.600 174.600 175.946 -1.346 25135 2487 1 3 . 1 1 128 128 SER CA C 128 58.300 58.300 61.676 -3.376 25135 2488 1 3 . 1 1 128 128 SER CB C 128 63.600 63.600 63.355 0.245 25135 2489 1 3 . 1 1 128 128 SER H H 128 8.230 8.230 8.952 -0.722 25135 2490 1 3 . 1 1 129 129 GLN N N 129 122.600 122.600 116.394 6.206 25135 2491 1 3 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.216 0.014 25135 2492 1 3 . 1 1 129 129 GLN C C 129 176.200 176.200 176.971 -0.771 25135 2493 1 3 . 1 1 129 129 GLN CA C 129 56.300 56.300 56.339 -0.039 25135 2494 1 3 . 1 1 129 129 GLN CB C 129 29.100 29.100 28.803 0.297 25135 2495 1 3 . 1 1 129 129 GLN H H 129 8.340 8.340 8.311 0.029 25135 2496 1 3 . 1 1 130 130 GLY N N 130 109.200 109.200 107.431 1.769 25135 2497 1 3 . 1 1 130 130 GLY C C 130 175.100 175.100 173.883 1.217 25135 2498 1 3 . 1 1 130 130 GLY CA C 130 45.200 45.200 45.008 0.192 25135 2499 1 3 . 1 1 130 130 GLY H H 130 8.150 8.150 8.231 -0.081 25135 2500 1 3 . 1 1 131 131 ALA N N 131 124.700 124.700 123.768 0.932 25135 2501 1 3 . 1 1 131 131 ALA HA H 131 4.230 4.230 3.090 1.140 25135 2502 1 3 . 1 1 131 131 ALA C C 131 178.700 178.700 177.515 1.185 25135 2503 1 3 . 1 1 131 131 ALA CA C 131 53.800 53.800 51.831 1.969 25135 2504 1 3 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.622 0.278 25135 2505 1 3 . 1 1 131 131 ALA H H 131 8.070 8.070 8.337 -0.267 25135 2506 1 3 . 1 1 132 132 SER N N 132 113.200 113.200 115.144 -1.944 25135 2507 1 3 . 1 1 132 132 SER HA H 132 4.580 4.580 4.456 0.124 25135 2508 1 3 . 1 1 132 132 SER C C 132 175.700 175.700 175.365 0.335 25135 2509 1 3 . 1 1 132 132 SER CA C 132 58.500 58.500 59.535 -1.035 25135 2510 1 3 . 1 1 132 132 SER CB C 132 63.800 63.800 62.404 1.396 25135 2511 1 3 . 1 1 132 132 SER H H 132 8.340 8.340 7.268 1.072 25135 2512 1 3 . 1 1 133 133 TRP N N 133 122.800 122.800 122.464 0.336 25135 2513 1 3 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.377 0.153 25135 2514 1 3 . 1 1 133 133 TRP C C 133 178.200 178.200 177.932 0.268 25135 2515 1 3 . 1 1 133 133 TRP CA C 133 58.900 58.900 58.850 0.050 25135 2516 1 3 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.191 2.009 25135 2517 1 3 . 1 1 133 133 TRP H H 133 8.380 8.380 7.133 1.247 25135 2518 1 3 . 1 1 134 134 ALA N N 134 120.600 120.600 121.804 -1.204 25135 2519 1 3 . 1 1 134 134 ALA HA H 134 4.250 4.250 4.333 -0.083 25135 2520 1 3 . 1 1 134 134 ALA C C 134 180.700 180.700 179.924 0.776 25135 2521 1 3 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.032 0.668 25135 2522 1 3 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.851 0.149 25135 2523 1 3 . 1 1 134 134 ALA H H 134 8.420 8.420 8.167 0.253 25135 2524 1 3 . 1 1 135 135 GLN N N 135 118.900 118.900 116.638 2.262 25135 2525 1 3 . 1 1 135 135 GLN HA H 135 4.100 4.100 4.047 0.053 25135 2526 1 3 . 1 1 135 135 GLN C C 135 179.200 179.200 178.696 0.504 25135 2527 1 3 . 1 1 135 135 GLN CA C 135 59.000 59.000 58.670 0.329 25135 2528 1 3 . 1 1 135 135 GLN CB C 135 28.500 28.500 28.083 0.417 25135 2529 1 3 . 1 1 135 135 GLN H H 135 7.860 7.860 7.962 -0.102 25135 2530 1 3 . 1 1 136 136 GLU N N 136 120.900 120.900 119.800 1.100 25135 2531 1 3 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.194 -0.374 25135 2532 1 3 . 1 1 136 136 GLU C C 136 177.800 177.800 178.714 -0.914 25135 2533 1 3 . 1 1 136 136 GLU CA C 136 59.000 59.000 59.146 -0.146 25135 2534 1 3 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.931 0.069 25135 2535 1 3 . 1 1 136 136 GLU H H 136 7.720 7.720 7.740 -0.020 25135 2536 1 3 . 1 1 137 137 ASP N N 137 118.200 118.200 120.684 -2.484 25135 2537 1 3 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.674 -0.214 25135 2538 1 3 . 1 1 137 137 ASP C C 137 178.100 178.100 178.698 -0.598 25135 2539 1 3 . 1 1 137 137 ASP CA C 137 57.200 57.200 57.488 -0.288 25135 2540 1 3 . 1 1 137 137 ASP CB C 137 40.100 40.100 39.803 0.297 25135 2541 1 3 . 1 1 137 137 ASP H H 137 8.800 8.800 8.829 -0.029 25135 2542 1 3 . 1 1 138 138 GLN N N 138 116.900 116.900 119.124 -2.224 25135 2543 1 3 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.162 -0.282 25135 2544 1 3 . 1 1 138 138 GLN C C 138 178.400 178.400 178.470 -0.070 25135 2545 1 3 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.406 0.494 25135 2546 1 3 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.266 0.434 25135 2547 1 3 . 1 1 138 138 GLN H H 138 7.510 7.510 7.693 -0.183 25135 2548 1 3 . 1 1 139 139 GLN N N 139 119.500 119.500 119.524 -0.024 25135 2549 1 3 . 1 1 139 139 GLN HA H 139 4.110 4.110 4.095 0.015 25135 2550 1 3 . 1 1 139 139 GLN C C 139 178.900 178.900 178.688 0.212 25135 2551 1 3 . 1 1 139 139 GLN CA C 139 58.900 58.900 59.156 -0.256 25135 2552 1 3 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.566 0.034 25135 2553 1 3 . 1 1 139 139 GLN H H 139 7.520 7.520 7.684 -0.164 25135 2554 1 3 . 1 1 140 140 ASP N N 140 121.700 121.700 119.392 2.308 25135 2555 1 3 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.614 -0.594 25135 2556 1 3 . 1 1 140 140 ASP C C 140 177.700 177.700 177.971 -0.271 25135 2557 1 3 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.491 0.809 25135 2558 1 3 . 1 1 140 140 ASP CB C 140 40.700 40.700 40.770 -0.070 25135 2559 1 3 . 1 1 140 140 ASP H H 140 9.130 9.130 8.656 0.474 25135 2560 1 3 . 1 1 141 141 ALA N N 141 121.000 121.000 124.393 -3.393 25135 2561 1 3 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.128 0.122 25135 2562 1 3 . 1 1 141 141 ALA C C 141 180.800 180.800 178.956 1.844 25135 2563 1 3 . 1 1 141 141 ALA CA C 141 55.400 55.400 55.075 0.325 25135 2564 1 3 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.620 0.880 25135 2565 1 3 . 1 1 141 141 ALA H H 141 8.720 8.720 7.930 0.790 25135 2566 1 3 . 1 1 142 142 ASP N N 142 119.100 119.100 118.115 0.985 25135 2567 1 3 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.391 0.039 25135 2568 1 3 . 1 1 142 142 ASP C C 142 178.600 178.600 179.021 -0.421 25135 2569 1 3 . 1 1 142 142 ASP CA C 142 57.600 57.600 57.487 0.113 25135 2570 1 3 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.796 0.504 25135 2571 1 3 . 1 1 142 142 ASP H H 142 7.850 7.850 8.533 -0.683 25135 2572 1 3 . 1 1 143 143 GLU N N 143 119.500 119.500 118.004 1.496 25135 2573 1 3 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.216 -0.186 25135 2574 1 3 . 1 1 143 143 GLU C C 143 180.100 180.100 178.713 1.387 25135 2575 1 3 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.845 0.855 25135 2576 1 3 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.776 -0.176 25135 2577 1 3 . 1 1 143 143 GLU H H 143 7.860 7.860 7.672 0.188 25135 2578 1 3 . 1 1 144 144 ASP N N 144 121.000 121.000 121.198 -0.198 25135 2579 1 3 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.366 0.284 25135 2580 1 3 . 1 1 144 144 ASP C C 144 179.500 179.500 178.348 1.152 25135 2581 1 3 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.590 -0.090 25135 2582 1 3 . 1 1 144 144 ASP CB C 144 41.100 41.100 40.717 0.383 25135 2583 1 3 . 1 1 144 144 ASP H H 144 8.840 8.840 8.265 0.575 25135 2584 1 3 . 1 1 145 145 ARG N N 145 121.400 121.400 117.403 3.997 25135 2585 1 3 . 1 1 145 145 ARG HA H 145 4.130 4.130 4.127 0.003 25135 2586 1 3 . 1 1 145 145 ARG C C 145 178.700 178.700 179.209 -0.509 25135 2587 1 3 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.393 0.107 25135 2588 1 3 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.727 -0.127 25135 2589 1 3 . 1 1 145 145 ARG H H 145 8.510 8.510 7.995 0.515 25135 2590 1 3 . 1 1 146 146 ARG N N 146 119.400 119.400 119.038 0.362 25135 2591 1 3 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.226 -0.116 25135 2592 1 3 . 1 1 146 146 ARG C C 146 178.400 178.400 178.180 0.220 25135 2593 1 3 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.555 0.845 25135 2594 1 3 . 1 1 146 146 ARG CB C 146 30.200 30.200 29.936 0.264 25135 2595 1 3 . 1 1 146 146 ARG H H 146 7.680 7.680 7.777 -0.097 25135 2596 1 3 . 1 1 147 147 ALA N N 147 120.300 120.300 123.571 -3.271 25135 2597 1 3 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.326 -0.016 25135 2598 1 3 . 1 1 147 147 ALA C C 147 179.500 179.500 179.291 0.209 25135 2599 1 3 . 1 1 147 147 ALA CA C 147 54.100 54.100 54.928 -0.828 25135 2600 1 3 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.551 0.549 25135 2601 1 3 . 1 1 147 147 ALA H H 147 7.840 7.840 8.003 -0.163 25135 2602 1 3 . 1 1 148 148 PHE N N 148 119.900 119.900 117.768 2.132 25135 2603 1 3 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.839 -0.449 25135 2604 1 3 . 1 1 148 148 PHE C C 148 176.900 176.900 177.195 -0.295 25135 2605 1 3 . 1 1 148 148 PHE CA C 148 60.500 60.500 58.553 1.947 25135 2606 1 3 . 1 1 148 148 PHE CB C 148 39.700 39.700 38.014 1.685 25135 2607 1 3 . 1 1 148 148 PHE H H 148 8.210 8.210 8.331 -0.121 25135 2608 1 3 . 1 1 149 149 GLN N N 149 118.500 118.500 118.079 0.421 25135 2609 1 3 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.352 0.778 25135 2610 1 3 . 1 1 149 149 GLN C C 149 176.400 176.400 176.857 -0.457 25135 2611 1 3 . 1 1 149 149 GLN CA C 149 56.900 56.900 58.277 -1.377 25135 2612 1 3 . 1 1 149 149 GLN CB C 149 28.900 28.900 29.035 -0.135 25135 2613 1 3 . 1 1 149 149 GLN H H 149 7.960 7.960 7.484 0.476 25135 2614 1 3 . 1 1 150 150 MET N N 150 118.000 118.000 112.897 5.103 25135 2615 1 3 . 1 1 150 150 MET HA H 150 4.360 4.360 4.516 -0.156 25135 2616 1 3 . 1 1 150 150 MET C C 150 176.300 176.300 176.939 -0.639 25135 2617 1 3 . 1 1 150 150 MET CA C 150 56.000 56.000 56.103 -0.103 25135 2618 1 3 . 1 1 150 150 MET CB C 150 32.800 32.800 33.619 -0.819 25135 2619 1 3 . 1 1 150 150 MET H H 150 7.760 7.760 7.461 0.299 25135 2620 1 3 . 1 1 151 151 LEU N N 151 121.200 121.200 122.556 -1.356 25135 2621 1 3 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.450 -0.180 25135 2622 1 3 . 1 1 151 151 LEU C C 151 177.100 177.100 175.902 1.198 25135 2623 1 3 . 1 1 151 151 LEU CA C 151 55.400 55.400 54.304 1.095 25135 2624 1 3 . 1 1 151 151 LEU CB C 151 42.300 42.300 42.413 -0.113 25135 2625 1 3 . 1 1 151 151 LEU H H 151 7.690 7.690 8.404 -0.714 25135 2626 1 3 . 1 1 152 152 ARG N N 152 121.800 121.800 125.013 -3.213 25135 2627 1 3 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.372 -0.132 25135 2628 1 3 . 1 1 152 152 ARG C C 152 176.000 176.000 175.728 0.272 25135 2629 1 3 . 1 1 152 152 ARG CA C 152 56.200 56.200 56.076 0.124 25135 2630 1 3 . 1 1 152 152 ARG CB C 152 30.900 30.900 29.549 1.351 25135 2631 1 3 . 1 1 152 152 ARG H H 152 8.120 8.120 8.783 -0.663 25135 2632 1 3 . 1 1 153 153 ARG N N 153 123.100 123.100 118.838 4.262 25135 2633 1 3 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.377 -0.017 25135 2634 1 3 . 1 1 153 153 ARG C C 153 174.900 174.900 174.486 0.414 25135 2635 1 3 . 1 1 153 153 ARG CA C 153 56.000 56.000 56.425 -0.425 25135 2636 1 3 . 1 1 153 153 ARG CB C 153 31.000 31.000 31.355 -0.355 25135 2637 1 3 . 1 1 153 153 ARG H H 153 8.380 8.380 7.526 0.854 25135 2638 1 4 . 1 1 2 2 GLU N N 2 120.000 120.000 120.758 -0.758 25135 2639 1 4 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.086 -0.106 25135 2640 1 4 . 1 1 2 2 GLU C C 2 178.400 178.400 177.906 0.494 25135 2641 1 4 . 1 1 2 2 GLU CA C 2 59.400 59.400 59.081 0.319 25135 2642 1 4 . 1 1 2 2 GLU CB C 2 29.200 29.200 29.370 -0.170 25135 2643 1 4 . 1 1 2 2 GLU H H 2 8.140 8.140 8.834 -0.694 25135 2644 1 4 . 1 1 3 3 ASN N N 3 117.300 117.300 116.183 1.117 25135 2645 1 4 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.657 -0.017 25135 2646 1 4 . 1 1 3 3 ASN C C 3 177.900 177.900 177.110 0.790 25135 2647 1 4 . 1 1 3 3 ASN CA C 3 55.800 55.800 55.049 0.751 25135 2648 1 4 . 1 1 3 3 ASN CB C 3 39.000 39.000 37.841 1.159 25135 2649 1 4 . 1 1 3 3 ASN H H 3 7.960 7.960 8.716 -0.756 25135 2650 1 4 . 1 1 4 4 LEU N N 4 119.700 119.700 123.266 -3.566 25135 2651 1 4 . 1 1 4 4 LEU HA H 4 4.030 4.030 3.958 0.072 25135 2652 1 4 . 1 1 4 4 LEU C C 4 177.900 177.900 178.475 -0.575 25135 2653 1 4 . 1 1 4 4 LEU CA C 4 58.400 58.400 59.086 -0.686 25135 2654 1 4 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.988 0.012 25135 2655 1 4 . 1 1 4 4 LEU H H 4 8.450 8.450 7.928 0.522 25135 2656 1 4 . 1 1 5 5 LYS N N 5 118.200 118.200 116.505 1.695 25135 2657 1 4 . 1 1 5 5 LYS HA H 5 3.940 3.940 3.997 -0.057 25135 2658 1 4 . 1 1 5 5 LYS C C 5 179.200 179.200 178.735 0.465 25135 2659 1 4 . 1 1 5 5 LYS CA C 5 60.000 60.000 59.662 0.338 25135 2660 1 4 . 1 1 5 5 LYS CB C 5 31.900 31.900 31.971 -0.071 25135 2661 1 4 . 1 1 5 5 LYS H H 5 7.940 7.940 8.015 -0.075 25135 2662 1 4 . 1 1 6 6 HIS N N 6 118.400 118.400 119.464 -1.064 25135 2663 1 4 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.480 -0.060 25135 2664 1 4 . 1 1 6 6 HIS C C 6 178.200 178.200 177.465 0.735 25135 2665 1 4 . 1 1 6 6 HIS CA C 6 59.100 59.100 58.486 0.614 25135 2666 1 4 . 1 1 6 6 HIS CB C 6 30.900 30.900 29.839 1.061 25135 2667 1 4 . 1 1 6 6 HIS H H 6 7.710 7.710 7.462 0.248 25135 2668 1 4 . 1 1 7 7 ILE N N 7 120.300 120.300 121.589 -1.289 25135 2669 1 4 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.383 0.057 25135 2670 1 4 . 1 1 7 7 ILE C C 7 176.500 176.500 177.605 -1.105 25135 2671 1 4 . 1 1 7 7 ILE CA C 7 66.000 66.000 66.023 -0.023 25135 2672 1 4 . 1 1 7 7 ILE CB C 7 38.700 38.700 37.896 0.804 25135 2673 1 4 . 1 1 7 7 ILE H H 7 7.950 7.950 8.462 -0.512 25135 2674 1 4 . 1 1 8 8 ILE N N 8 120.200 120.200 119.077 1.123 25135 2675 1 4 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.460 0.120 25135 2676 1 4 . 1 1 8 8 ILE C C 8 178.000 178.000 178.177 -0.177 25135 2677 1 4 . 1 1 8 8 ILE CA C 8 65.800 65.800 65.909 -0.109 25135 2678 1 4 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.498 1.102 25135 2679 1 4 . 1 1 8 8 ILE H H 8 8.450 8.450 8.852 -0.402 25135 2680 1 4 . 1 1 9 9 THR N N 9 115.400 115.400 114.521 0.879 25135 2681 1 4 . 1 1 9 9 THR HA H 9 3.880 3.880 3.973 -0.093 25135 2682 1 4 . 1 1 9 9 THR C C 9 176.300 176.300 176.446 -0.146 25135 2683 1 4 . 1 1 9 9 THR CA C 9 66.900 66.900 66.238 0.662 25135 2684 1 4 . 1 1 9 9 THR CB C 9 68.800 68.800 68.868 -0.068 25135 2685 1 4 . 1 1 9 9 THR H H 9 8.120 8.120 7.528 0.592 25135 2686 1 4 . 1 1 10 10 LEU N N 10 122.100 122.100 121.326 0.774 25135 2687 1 4 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.104 -0.054 25135 2688 1 4 . 1 1 10 10 LEU C C 10 178.800 178.800 178.331 0.469 25135 2689 1 4 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.760 1.140 25135 2690 1 4 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.148 1.152 25135 2691 1 4 . 1 1 10 10 LEU H H 10 7.950 7.950 7.822 0.128 25135 2692 1 4 . 1 1 11 11 GLY N N 11 105.800 105.800 105.112 0.688 25135 2693 1 4 . 1 1 11 11 GLY C C 11 174.700 174.700 176.273 -1.573 25135 2694 1 4 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.078 0.422 25135 2695 1 4 . 1 1 11 11 GLY H H 11 8.660 8.660 8.508 0.152 25135 2696 1 4 . 1 1 12 12 GLN N N 12 119.600 119.600 119.893 -0.293 25135 2697 1 4 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.342 -0.352 25135 2698 1 4 . 1 1 12 12 GLN C C 12 179.600 179.600 178.687 0.913 25135 2699 1 4 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.722 1.578 25135 2700 1 4 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.381 -0.481 25135 2701 1 4 . 1 1 12 12 GLN H H 12 8.050 8.050 7.509 0.541 25135 2702 1 4 . 1 1 13 13 VAL N N 13 122.600 122.600 121.715 0.885 25135 2703 1 4 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.669 0.001 25135 2704 1 4 . 1 1 13 13 VAL C C 13 178.500 178.500 177.982 0.518 25135 2705 1 4 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.305 0.395 25135 2706 1 4 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.127 0.773 25135 2707 1 4 . 1 1 13 13 VAL H H 13 8.300 8.300 7.860 0.440 25135 2708 1 4 . 1 1 14 14 ILE N N 14 121.000 121.000 118.810 2.190 25135 2709 1 4 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.500 -0.030 25135 2710 1 4 . 1 1 14 14 ILE C C 14 177.700 177.700 177.485 0.215 25135 2711 1 4 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.313 0.487 25135 2712 1 4 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.648 0.752 25135 2713 1 4 . 1 1 14 14 ILE H H 14 8.480 8.480 8.537 -0.057 25135 2714 1 4 . 1 1 15 15 HIS N N 15 118.900 118.900 118.451 0.449 25135 2715 1 4 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.453 -0.553 25135 2716 1 4 . 1 1 15 15 HIS C C 15 176.200 176.200 177.103 -0.903 25135 2717 1 4 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.053 2.248 25135 2718 1 4 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.245 -0.245 25135 2719 1 4 . 1 1 15 15 HIS H H 15 8.250 8.250 7.594 0.656 25135 2720 1 4 . 1 1 16 16 LYS N N 16 118.500 118.500 119.956 -1.456 25135 2721 1 4 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.693 -0.023 25135 2722 1 4 . 1 1 16 16 LYS C C 16 179.200 179.200 178.891 0.309 25135 2723 1 4 . 1 1 16 16 LYS CA C 16 59.500 59.500 59.140 0.360 25135 2724 1 4 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.194 0.306 25135 2725 1 4 . 1 1 16 16 LYS H H 16 7.820 7.820 8.207 -0.387 25135 2726 1 4 . 1 1 17 17 ARG N N 17 117.600 117.600 118.728 -1.128 25135 2727 1 4 . 1 1 17 17 ARG HA H 17 3.960 3.960 4.117 -0.157 25135 2728 1 4 . 1 1 17 17 ARG C C 17 180.600 180.600 177.580 3.020 25135 2729 1 4 . 1 1 17 17 ARG CA C 17 59.200 59.200 59.092 0.108 25135 2730 1 4 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.270 0.230 25135 2731 1 4 . 1 1 17 17 ARG H H 17 8.330 8.330 8.646 -0.316 25135 2732 1 4 . 1 1 18 18 CYS N N 18 118.100 118.100 114.905 3.195 25135 2733 1 4 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.262 -0.372 25135 2734 1 4 . 1 1 18 18 CYS C C 18 177.300 177.300 177.703 -0.403 25135 2735 1 4 . 1 1 18 18 CYS CA C 18 65.900 65.900 60.357 5.543 25135 2736 1 4 . 1 1 18 18 CYS CB C 18 27.600 27.600 28.267 -0.667 25135 2737 1 4 . 1 1 18 18 CYS H H 18 8.550 8.550 7.547 1.003 25135 2738 1 4 . 1 1 19 19 GLU N N 19 117.900 117.900 120.579 -2.679 25135 2739 1 4 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.073 -0.263 25135 2740 1 4 . 1 1 19 19 GLU C C 19 177.100 177.100 177.430 -0.330 25135 2741 1 4 . 1 1 19 19 GLU CA C 19 58.300 58.300 59.146 -0.846 25135 2742 1 4 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.638 0.362 25135 2743 1 4 . 1 1 19 19 GLU H H 19 7.540 7.540 7.790 -0.250 25135 2744 1 4 . 1 1 20 20 GLU N N 20 115.400 115.400 113.406 1.994 25135 2745 1 4 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.371 -0.151 25135 2746 1 4 . 1 1 20 20 GLU C C 20 177.100 177.100 176.765 0.335 25135 2747 1 4 . 1 1 20 20 GLU CA C 20 55.900 55.900 55.160 0.740 25135 2748 1 4 . 1 1 20 20 GLU CB C 20 30.600 30.600 29.436 1.164 25135 2749 1 4 . 1 1 20 20 GLU H H 20 7.190 7.190 7.511 -0.321 25135 2750 1 4 . 1 1 21 21 MET N N 21 120.500 120.500 120.642 -0.142 25135 2751 1 4 . 1 1 21 21 MET HA H 21 4.260 4.260 4.298 -0.038 25135 2752 1 4 . 1 1 21 21 MET C C 21 177.800 177.800 176.423 1.377 25135 2753 1 4 . 1 1 21 21 MET CA C 21 56.400 56.400 55.607 0.793 25135 2754 1 4 . 1 1 21 21 MET CB C 21 33.300 33.300 32.308 0.992 25135 2755 1 4 . 1 1 21 21 MET H H 21 6.940 6.940 7.295 -0.355 25135 2756 1 4 . 1 1 22 22 LYS N N 22 120.500 120.500 124.202 -3.702 25135 2757 1 4 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.248 -0.298 25135 2758 1 4 . 1 1 22 22 LYS C C 22 175.400 175.400 176.112 -0.712 25135 2759 1 4 . 1 1 22 22 LYS CA C 22 57.000 57.000 55.859 1.141 25135 2760 1 4 . 1 1 22 22 LYS CB C 22 33.600 33.600 32.917 0.683 25135 2761 1 4 . 1 1 22 22 LYS H H 22 8.760 8.760 8.794 -0.034 25135 2762 1 4 . 1 1 23 23 TYR N N 23 115.500 115.500 117.296 -1.796 25135 2763 1 4 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.714 0.196 25135 2764 1 4 . 1 1 23 23 TYR C C 23 173.700 173.700 175.615 -1.915 25135 2765 1 4 . 1 1 23 23 TYR CA C 23 55.000 55.000 57.067 -2.067 25135 2766 1 4 . 1 1 23 23 TYR CB C 23 41.900 41.900 41.526 0.374 25135 2767 1 4 . 1 1 23 23 TYR H H 23 7.260 7.260 7.601 -0.341 25135 2768 1 4 . 1 1 24 24 CYS N N 24 113.600 113.600 117.366 -3.766 25135 2769 1 4 . 1 1 24 24 CYS HA H 24 3.700 3.700 3.991 -0.291 25135 2770 1 4 . 1 1 24 24 CYS C C 24 174.700 174.700 175.964 -1.264 25135 2771 1 4 . 1 1 24 24 CYS CA C 24 60.400 60.400 59.556 0.844 25135 2772 1 4 . 1 1 24 24 CYS CB C 24 26.100 26.100 26.128 -0.028 25135 2773 1 4 . 1 1 24 24 CYS H H 24 8.720 8.720 9.360 -0.640 25135 2774 1 4 . 1 1 25 25 LYS N N 25 115.800 115.800 119.543 -3.743 25135 2775 1 4 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.990 -0.410 25135 2776 1 4 . 1 1 25 25 LYS C C 25 179.800 179.800 178.123 1.677 25135 2777 1 4 . 1 1 25 25 LYS CA C 25 60.700 60.700 58.842 1.859 25135 2778 1 4 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.247 1.053 25135 2779 1 4 . 1 1 25 25 LYS H H 25 8.050 8.050 8.540 -0.490 25135 2780 1 4 . 1 1 26 26 LYS N N 26 121.000 121.000 120.601 0.399 25135 2781 1 4 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.891 0.099 25135 2782 1 4 . 1 1 26 26 LYS C C 26 181.300 181.300 179.107 2.193 25135 2783 1 4 . 1 1 26 26 LYS CA C 26 59.000 59.000 59.729 -0.729 25135 2784 1 4 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.677 -1.277 25135 2785 1 4 . 1 1 26 26 LYS H H 26 10.600 10.600 8.204 2.397 25135 2786 1 4 . 1 1 27 27 GLN N N 27 120.500 120.500 118.325 2.175 25135 2787 1 4 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.225 -0.255 25135 2788 1 4 . 1 1 27 27 GLN C C 27 180.200 180.200 178.852 1.348 25135 2789 1 4 . 1 1 27 27 GLN CA C 27 59.300 59.300 59.002 0.298 25135 2790 1 4 . 1 1 27 27 GLN CB C 27 32.100 32.100 28.771 3.329 25135 2791 1 4 . 1 1 27 27 GLN H H 27 9.890 9.890 8.245 1.645 25135 2792 1 4 . 1 1 28 28 CYS N N 28 118.800 118.800 119.081 -0.281 25135 2793 1 4 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.731 0.479 25135 2794 1 4 . 1 1 28 28 CYS C C 28 176.200 176.200 176.273 -0.073 25135 2795 1 4 . 1 1 28 28 CYS CA C 28 64.300 64.300 64.929 -0.629 25135 2796 1 4 . 1 1 28 28 CYS CB C 28 26.800 26.800 27.764 -0.964 25135 2797 1 4 . 1 1 28 28 CYS H H 28 8.550 8.550 8.215 0.335 25135 2798 1 4 . 1 1 29 29 ARG N N 29 119.300 119.300 119.165 0.135 25135 2799 1 4 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.912 -0.042 25135 2800 1 4 . 1 1 29 29 ARG C C 29 178.900 178.900 178.228 0.672 25135 2801 1 4 . 1 1 29 29 ARG CA C 29 59.300 59.300 58.891 0.409 25135 2802 1 4 . 1 1 29 29 ARG CB C 29 29.200 29.200 29.205 -0.005 25135 2803 1 4 . 1 1 29 29 ARG H H 29 8.700 8.700 8.742 -0.042 25135 2804 1 4 . 1 1 30 30 ARG N N 30 119.700 119.700 119.242 0.458 25135 2805 1 4 . 1 1 30 30 ARG HA H 30 3.890 3.890 4.090 -0.200 25135 2806 1 4 . 1 1 30 30 ARG C C 30 178.000 178.000 178.293 -0.293 25135 2807 1 4 . 1 1 30 30 ARG CA C 30 58.200 58.200 58.712 -0.512 25135 2808 1 4 . 1 1 30 30 ARG CB C 30 29.100 29.100 29.891 -0.791 25135 2809 1 4 . 1 1 30 30 ARG H H 30 7.810 7.810 7.285 0.525 25135 2810 1 4 . 1 1 31 31 LEU N N 31 120.600 120.600 121.662 -1.062 25135 2811 1 4 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.564 0.476 25135 2812 1 4 . 1 1 31 31 LEU C C 31 178.400 178.400 178.550 -0.150 25135 2813 1 4 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.704 0.596 25135 2814 1 4 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.285 -0.085 25135 2815 1 4 . 1 1 31 31 LEU H H 31 7.310 7.310 8.071 -0.761 25135 2816 1 4 . 1 1 32 32 GLY N N 32 105.200 105.200 104.542 0.658 25135 2817 1 4 . 1 1 32 32 GLY C C 32 175.600 175.600 175.797 -0.197 25135 2818 1 4 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.105 1.295 25135 2819 1 4 . 1 1 32 32 GLY H H 32 7.960 7.960 7.870 0.090 25135 2820 1 4 . 1 1 33 33 HIS N N 33 120.500 120.500 122.439 -1.939 25135 2821 1 4 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.152 0.078 25135 2822 1 4 . 1 1 33 33 HIS C C 33 179.400 179.400 177.999 1.401 25135 2823 1 4 . 1 1 33 33 HIS CA C 33 59.600 59.600 59.536 0.064 25135 2824 1 4 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.109 0.491 25135 2825 1 4 . 1 1 33 33 HIS H H 33 8.340 8.340 7.869 0.471 25135 2826 1 4 . 1 1 34 34 ARG N N 34 121.900 121.900 118.669 3.231 25135 2827 1 4 . 1 1 34 34 ARG HA H 34 3.870 3.870 3.965 -0.095 25135 2828 1 4 . 1 1 34 34 ARG C C 34 179.600 179.600 178.445 1.155 25135 2829 1 4 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.192 0.308 25135 2830 1 4 . 1 1 34 34 ARG CB C 34 30.100 30.100 29.736 0.364 25135 2831 1 4 . 1 1 34 34 ARG H H 34 8.680 8.680 8.550 0.130 25135 2832 1 4 . 1 1 35 35 VAL N N 35 118.500 118.500 120.847 -2.347 25135 2833 1 4 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.394 0.016 25135 2834 1 4 . 1 1 35 35 VAL C C 35 177.600 177.600 177.740 -0.140 25135 2835 1 4 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.418 1.382 25135 2836 1 4 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.497 -0.198 25135 2837 1 4 . 1 1 35 35 VAL H H 35 8.500 8.500 7.705 0.795 25135 2838 1 4 . 1 1 36 36 LEU N N 36 118.300 118.300 119.110 -0.810 25135 2839 1 4 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.745 0.155 25135 2840 1 4 . 1 1 36 36 LEU C C 36 179.600 179.600 179.162 0.438 25135 2841 1 4 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.700 0.300 25135 2842 1 4 . 1 1 36 36 LEU CB C 36 41.400 41.400 41.062 0.338 25135 2843 1 4 . 1 1 36 36 LEU H H 36 7.890 7.890 8.640 -0.750 25135 2844 1 4 . 1 1 37 37 GLY N N 37 104.900 104.900 104.961 -0.061 25135 2845 1 4 . 1 1 37 37 GLY C C 37 175.700 175.700 175.211 0.489 25135 2846 1 4 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.785 -0.085 25135 2847 1 4 . 1 1 37 37 GLY H H 37 7.760 7.760 7.506 0.254 25135 2848 1 4 . 1 1 38 38 LEU N N 38 120.500 120.500 119.768 0.732 25135 2849 1 4 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.530 0.060 25135 2850 1 4 . 1 1 38 38 LEU C C 38 176.900 176.900 177.969 -1.069 25135 2851 1 4 . 1 1 38 38 LEU CA C 38 56.500 56.500 56.075 0.425 25135 2852 1 4 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.143 -0.543 25135 2853 1 4 . 1 1 38 38 LEU H H 38 7.720 7.720 7.426 0.294 25135 2854 1 4 . 1 1 39 39 ILE N N 39 108.700 108.700 115.573 -6.873 25135 2855 1 4 . 1 1 39 39 ILE HA H 39 4.190 4.190 4.050 0.140 25135 2856 1 4 . 1 1 39 39 ILE C C 39 178.100 178.100 177.052 1.048 25135 2857 1 4 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.249 -0.549 25135 2858 1 4 . 1 1 39 39 ILE CB C 39 38.500 38.500 37.935 0.565 25135 2859 1 4 . 1 1 39 39 ILE H H 39 7.540 7.540 7.220 0.320 25135 2860 1 4 . 1 1 40 40 LYS N N 40 122.800 122.800 121.879 0.921 25135 2861 1 4 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.107 0.323 25135 2862 1 4 . 1 1 40 40 LYS CA C 40 60.700 60.700 60.143 0.557 25135 2863 1 4 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.422 -0.021 25135 2864 1 4 . 1 1 40 40 LYS H H 40 7.600 7.600 8.472 -0.872 25135 2865 1 4 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.353 0.077 25135 2866 1 4 . 1 1 41 41 PRO C C 41 178.700 178.700 179.335 -0.635 25135 2867 1 4 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.459 0.041 25135 2868 1 4 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.398 0.202 25135 2869 1 4 . 1 1 42 42 LEU N N 42 114.400 114.400 119.242 -4.842 25135 2870 1 4 . 1 1 42 42 LEU HA H 42 4.060 4.060 4.011 0.049 25135 2871 1 4 . 1 1 42 42 LEU C C 42 178.800 178.800 178.927 -0.127 25135 2872 1 4 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.721 -0.621 25135 2873 1 4 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.000 -0.700 25135 2874 1 4 . 1 1 42 42 LEU H H 42 7.200 7.200 7.767 -0.567 25135 2875 1 4 . 1 1 43 43 GLU N N 43 119.200 119.200 118.061 1.139 25135 2876 1 4 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.975 -0.055 25135 2877 1 4 . 1 1 43 43 GLU C C 43 179.100 179.100 178.725 0.375 25135 2878 1 4 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.559 -0.059 25135 2879 1 4 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.342 0.758 25135 2880 1 4 . 1 1 43 43 GLU H H 43 8.120 8.120 8.004 0.116 25135 2881 1 4 . 1 1 44 44 MET N N 44 116.500 116.500 115.516 0.984 25135 2882 1 4 . 1 1 44 44 MET HA H 44 4.310 4.310 4.297 0.013 25135 2883 1 4 . 1 1 44 44 MET C C 44 177.900 177.900 177.587 0.313 25135 2884 1 4 . 1 1 44 44 MET CA C 44 57.600 57.600 57.669 -0.069 25135 2885 1 4 . 1 1 44 44 MET CB C 44 32.500 32.500 32.747 -0.247 25135 2886 1 4 . 1 1 44 44 MET H H 44 7.600 7.600 7.607 -0.007 25135 2887 1 4 . 1 1 45 45 LEU N N 45 119.900 119.900 118.788 1.112 25135 2888 1 4 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.266 -0.116 25135 2889 1 4 . 1 1 45 45 LEU C C 45 178.000 178.000 178.900 -0.900 25135 2890 1 4 . 1 1 45 45 LEU CA C 45 56.600 56.600 58.012 -1.412 25135 2891 1 4 . 1 1 45 45 LEU CB C 45 42.000 42.000 42.625 -0.625 25135 2892 1 4 . 1 1 45 45 LEU H H 45 7.620 7.620 7.871 -0.251 25135 2893 1 4 . 1 1 46 46 GLN N N 46 118.300 118.300 118.449 -0.149 25135 2894 1 4 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.112 -0.092 25135 2895 1 4 . 1 1 46 46 GLN C C 46 176.500 176.500 178.268 -1.768 25135 2896 1 4 . 1 1 46 46 GLN CA C 46 57.700 57.700 58.320 -0.620 25135 2897 1 4 . 1 1 46 46 GLN CB C 46 29.500 29.500 27.930 1.570 25135 2898 1 4 . 1 1 46 46 GLN H H 46 7.950 7.950 8.627 -0.677 25135 2899 1 4 . 1 1 47 47 ASP N N 47 119.000 119.000 119.866 -0.866 25135 2900 1 4 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.406 0.164 25135 2901 1 4 . 1 1 47 47 ASP C C 47 176.900 176.900 177.997 -1.097 25135 2902 1 4 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.727 -1.427 25135 2903 1 4 . 1 1 47 47 ASP CB C 47 41.300 41.300 40.956 0.344 25135 2904 1 4 . 1 1 47 47 ASP H H 47 7.890 7.890 7.784 0.106 25135 2905 1 4 . 1 1 48 48 GLN N N 48 119.500 119.500 116.445 3.055 25135 2906 1 4 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.262 -0.032 25135 2907 1 4 . 1 1 48 48 GLN C C 48 177.200 177.200 177.362 -0.162 25135 2908 1 4 . 1 1 48 48 GLN CA C 48 56.700 56.700 56.621 0.079 25135 2909 1 4 . 1 1 48 48 GLN CB C 48 29.300 29.300 30.012 -0.712 25135 2910 1 4 . 1 1 48 48 GLN H H 48 8.080 8.080 7.950 0.130 25135 2911 1 4 . 1 1 49 49 GLY N N 49 108.100 108.100 106.474 1.626 25135 2912 1 4 . 1 1 49 49 GLY C C 49 174.300 174.300 173.827 0.473 25135 2913 1 4 . 1 1 49 49 GLY CA C 49 46.000 46.000 44.673 1.327 25135 2914 1 4 . 1 1 49 49 GLY H H 49 8.270 8.270 8.125 0.145 25135 2915 1 4 . 1 1 50 50 LYS N N 50 120.200 120.200 121.462 -1.262 25135 2916 1 4 . 1 1 50 50 LYS HA H 50 4.320 4.320 3.923 0.397 25135 2917 1 4 . 1 1 50 50 LYS C C 50 176.400 176.400 175.489 0.911 25135 2918 1 4 . 1 1 50 50 LYS CA C 50 56.500 56.500 56.742 -0.242 25135 2919 1 4 . 1 1 50 50 LYS CB C 50 32.900 32.900 31.625 1.275 25135 2920 1 4 . 1 1 50 50 LYS H H 50 8.130 8.130 8.503 -0.373 25135 2921 1 4 . 1 1 51 51 ARG N N 51 121.300 121.300 116.915 4.385 25135 2922 1 4 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.068 0.392 25135 2923 1 4 . 1 1 51 51 ARG C C 51 176.100 176.100 174.024 2.076 25135 2924 1 4 . 1 1 51 51 ARG CA C 51 56.000 56.000 56.908 -0.908 25135 2925 1 4 . 1 1 51 51 ARG CB C 51 31.200 31.200 30.609 0.591 25135 2926 1 4 . 1 1 51 51 ARG H H 51 8.260 8.260 8.078 0.182 25135 2927 1 4 . 1 1 52 52 SER N N 52 116.900 116.900 116.416 0.484 25135 2928 1 4 . 1 1 52 52 SER HA H 52 4.550 4.550 4.641 -0.091 25135 2929 1 4 . 1 1 52 52 SER C C 52 173.900 173.900 173.353 0.547 25135 2930 1 4 . 1 1 52 52 SER CA C 52 57.800 57.800 57.838 -0.038 25135 2931 1 4 . 1 1 52 52 SER CB C 52 64.300 64.300 64.981 -0.681 25135 2932 1 4 . 1 1 52 52 SER H H 52 8.150 8.150 8.301 -0.151 25135 2933 1 4 . 1 1 53 53 VAL N N 53 124.300 124.300 125.518 -1.218 25135 2934 1 4 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.421 -0.131 25135 2935 1 4 . 1 1 53 53 VAL CA C 53 60.400 60.400 58.498 1.902 25135 2936 1 4 . 1 1 53 53 VAL CB C 53 32.500 32.500 33.026 -0.526 25135 2937 1 4 . 1 1 53 53 VAL H H 53 8.420 8.420 8.606 -0.186 25135 2938 1 4 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.528 -0.038 25135 2939 1 4 . 1 1 54 54 PRO C C 54 176.600 176.600 176.321 0.279 25135 2940 1 4 . 1 1 54 54 PRO CA C 54 62.500 62.500 62.590 -0.090 25135 2941 1 4 . 1 1 54 54 PRO CB C 54 32.600 32.600 30.372 2.228 25135 2942 1 4 . 1 1 55 55 SER N N 55 119.500 119.500 118.063 1.437 25135 2943 1 4 . 1 1 55 55 SER HA H 55 4.370 4.370 4.369 0.001 25135 2944 1 4 . 1 1 55 55 SER C C 55 175.500 175.500 175.871 -0.371 25135 2945 1 4 . 1 1 55 55 SER CA C 55 58.200 58.200 58.717 -0.517 25135 2946 1 4 . 1 1 55 55 SER CB C 55 64.200 64.200 64.570 -0.370 25135 2947 1 4 . 1 1 55 55 SER H H 55 8.970 8.970 8.404 0.566 25135 2948 1 4 . 1 1 56 56 GLU N N 56 123.000 123.000 123.696 -0.696 25135 2949 1 4 . 1 1 56 56 GLU HA H 56 4.140 4.140 4.039 0.101 25135 2950 1 4 . 1 1 56 56 GLU C C 56 179.300 179.300 178.477 0.823 25135 2951 1 4 . 1 1 56 56 GLU CA C 56 59.700 59.700 60.520 -0.820 25135 2952 1 4 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.626 -0.426 25135 2953 1 4 . 1 1 56 56 GLU H H 56 9.030 9.030 9.072 -0.042 25135 2954 1 4 . 1 1 57 57 LYS N N 57 118.900 118.900 118.708 0.192 25135 2955 1 4 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.078 -0.078 25135 2956 1 4 . 1 1 57 57 LYS C C 57 179.400 179.400 178.729 0.671 25135 2957 1 4 . 1 1 57 57 LYS CA C 57 59.600 59.600 59.108 0.492 25135 2958 1 4 . 1 1 57 57 LYS CB C 57 32.700 32.700 31.301 1.399 25135 2959 1 4 . 1 1 57 57 LYS H H 57 8.150 8.150 8.472 -0.322 25135 2960 1 4 . 1 1 58 58 LEU N N 58 122.800 122.800 120.597 2.203 25135 2961 1 4 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.149 -0.049 25135 2962 1 4 . 1 1 58 58 LEU C C 58 178.200 178.200 178.604 -0.404 25135 2963 1 4 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.228 0.072 25135 2964 1 4 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.288 -0.788 25135 2965 1 4 . 1 1 58 58 LEU H H 58 8.420 8.420 7.891 0.529 25135 2966 1 4 . 1 1 59 59 THR N N 59 117.800 117.800 113.278 4.522 25135 2967 1 4 . 1 1 59 59 THR HA H 59 3.730 3.730 4.037 -0.307 25135 2968 1 4 . 1 1 59 59 THR C C 59 176.800 176.800 176.899 -0.099 25135 2969 1 4 . 1 1 59 59 THR CA C 59 67.500 67.500 66.724 0.776 25135 2970 1 4 . 1 1 59 59 THR CB C 59 68.400 68.400 68.496 -0.096 25135 2971 1 4 . 1 1 59 59 THR H H 59 8.600 8.600 7.988 0.612 25135 2972 1 4 . 1 1 60 60 THR N N 60 118.300 118.300 117.286 1.014 25135 2973 1 4 . 1 1 60 60 THR HA H 60 3.980 3.980 4.066 -0.086 25135 2974 1 4 . 1 1 60 60 THR C C 60 176.400 176.400 176.092 0.308 25135 2975 1 4 . 1 1 60 60 THR CA C 60 66.900 66.900 66.428 0.472 25135 2976 1 4 . 1 1 60 60 THR CB C 60 68.400 68.400 68.591 -0.191 25135 2977 1 4 . 1 1 60 60 THR H H 60 8.390 8.390 7.796 0.594 25135 2978 1 4 . 1 1 61 61 ALA N N 61 124.900 124.900 124.497 0.403 25135 2979 1 4 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.105 0.015 25135 2980 1 4 . 1 1 61 61 ALA C C 61 180.000 180.000 179.599 0.401 25135 2981 1 4 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.375 0.425 25135 2982 1 4 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.280 0.520 25135 2983 1 4 . 1 1 61 61 ALA H H 61 8.090 8.090 7.775 0.315 25135 2984 1 4 . 1 1 62 62 MET N N 62 118.300 118.300 117.408 0.892 25135 2985 1 4 . 1 1 62 62 MET HA H 62 4.110 4.110 4.263 -0.153 25135 2986 1 4 . 1 1 62 62 MET C C 62 178.300 178.300 178.693 -0.393 25135 2987 1 4 . 1 1 62 62 MET CA C 62 59.600 59.600 59.415 0.185 25135 2988 1 4 . 1 1 62 62 MET CB C 62 32.500 32.500 31.771 0.729 25135 2989 1 4 . 1 1 62 62 MET H H 62 8.820 8.820 8.844 -0.024 25135 2990 1 4 . 1 1 63 63 ASN N N 63 119.500 119.500 118.961 0.539 25135 2991 1 4 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.542 0.038 25135 2992 1 4 . 1 1 63 63 ASN C C 63 179.000 179.000 177.880 1.120 25135 2993 1 4 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.796 -0.496 25135 2994 1 4 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.395 -0.695 25135 2995 1 4 . 1 1 63 63 ASN H H 63 8.320 8.320 8.796 -0.476 25135 2996 1 4 . 1 1 64 64 ARG N N 64 122.500 122.500 120.584 1.916 25135 2997 1 4 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.143 0.047 25135 2998 1 4 . 1 1 64 64 ARG C C 64 179.300 179.300 179.123 0.177 25135 2999 1 4 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.511 0.189 25135 3000 1 4 . 1 1 64 64 ARG CB C 64 30.700 30.700 30.087 0.613 25135 3001 1 4 . 1 1 64 64 ARG H H 64 8.560 8.560 8.270 0.290 25135 3002 1 4 . 1 1 65 65 PHE N N 65 123.100 123.100 122.064 1.036 25135 3003 1 4 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.311 0.160 25135 3004 1 4 . 1 1 65 65 PHE C C 65 176.400 176.400 176.934 -0.534 25135 3005 1 4 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.470 1.130 25135 3006 1 4 . 1 1 65 65 PHE CB C 65 39.400 39.400 38.974 0.426 25135 3007 1 4 . 1 1 65 65 PHE H H 65 8.560 8.560 8.890 -0.330 25135 3008 1 4 . 1 1 66 66 LYS N N 66 119.800 119.800 120.021 -0.221 25135 3009 1 4 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.725 -0.105 25135 3010 1 4 . 1 1 66 66 LYS C C 66 177.600 177.600 178.866 -1.266 25135 3011 1 4 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.688 1.012 25135 3012 1 4 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.226 0.274 25135 3013 1 4 . 1 1 66 66 LYS H H 66 8.610 8.610 8.866 -0.256 25135 3014 1 4 . 1 1 67 67 ALA N N 67 119.000 119.000 121.703 -2.703 25135 3015 1 4 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.036 0.194 25135 3016 1 4 . 1 1 67 67 ALA C C 67 180.400 180.400 179.027 1.373 25135 3017 1 4 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.759 0.241 25135 3018 1 4 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.608 -0.608 25135 3019 1 4 . 1 1 67 67 ALA H H 67 8.000 8.000 8.385 -0.385 25135 3020 1 4 . 1 1 68 68 ALA N N 68 122.200 122.200 121.944 0.256 25135 3021 1 4 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.036 0.154 25135 3022 1 4 . 1 1 68 68 ALA C C 68 179.800 179.800 179.650 0.150 25135 3023 1 4 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.837 0.363 25135 3024 1 4 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.489 -0.689 25135 3025 1 4 . 1 1 68 68 ALA H H 68 7.950 7.950 8.338 -0.388 25135 3026 1 4 . 1 1 69 69 LEU N N 69 118.900 118.900 119.420 -0.520 25135 3027 1 4 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.838 0.012 25135 3028 1 4 . 1 1 69 69 LEU C C 69 179.200 179.200 179.000 0.200 25135 3029 1 4 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.141 -0.641 25135 3030 1 4 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.514 -0.114 25135 3031 1 4 . 1 1 69 69 LEU H H 69 8.020 8.020 8.221 -0.201 25135 3032 1 4 . 1 1 70 70 GLU N N 70 120.500 120.500 118.425 2.075 25135 3033 1 4 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.803 0.137 25135 3034 1 4 . 1 1 70 70 GLU C C 70 180.500 180.500 179.299 1.201 25135 3035 1 4 . 1 1 70 70 GLU CA C 70 59.900 59.900 59.728 0.172 25135 3036 1 4 . 1 1 70 70 GLU CB C 70 29.200 29.200 28.936 0.264 25135 3037 1 4 . 1 1 70 70 GLU H H 70 8.590 8.590 7.674 0.916 25135 3038 1 4 . 1 1 71 71 GLU N N 71 122.200 122.200 119.586 2.614 25135 3039 1 4 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.066 0.004 25135 3040 1 4 . 1 1 71 71 GLU C C 71 179.600 179.600 178.640 0.960 25135 3041 1 4 . 1 1 71 71 GLU CA C 71 59.400 59.400 59.651 -0.251 25135 3042 1 4 . 1 1 71 71 GLU CB C 71 29.400 29.400 28.989 0.411 25135 3043 1 4 . 1 1 71 71 GLU H H 71 8.300 8.300 7.697 0.603 25135 3044 1 4 . 1 1 72 72 ALA N N 72 122.800 122.800 121.707 1.093 25135 3045 1 4 . 1 1 72 72 ALA HA H 72 3.890 3.890 4.014 -0.124 25135 3046 1 4 . 1 1 72 72 ALA C C 72 178.500 178.500 179.663 -1.163 25135 3047 1 4 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.246 0.454 25135 3048 1 4 . 1 1 72 72 ALA CB C 72 17.200 17.200 17.671 -0.471 25135 3049 1 4 . 1 1 72 72 ALA H H 72 8.330 8.330 7.582 0.748 25135 3050 1 4 . 1 1 73 73 ASN N N 73 115.700 115.700 117.314 -1.614 25135 3051 1 4 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.312 0.138 25135 3052 1 4 . 1 1 73 73 ASN C C 73 177.600 177.600 177.675 -0.075 25135 3053 1 4 . 1 1 73 73 ASN CA C 73 56.300 56.300 56.539 -0.239 25135 3054 1 4 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.409 0.491 25135 3055 1 4 . 1 1 73 73 ASN H H 73 8.460 8.460 8.695 -0.235 25135 3056 1 4 . 1 1 74 74 GLY N N 74 105.500 105.500 108.364 -2.864 25135 3057 1 4 . 1 1 74 74 GLY C C 74 177.100 177.100 176.435 0.665 25135 3058 1 4 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.870 0.130 25135 3059 1 4 . 1 1 74 74 GLY H H 74 8.070 8.070 8.665 -0.595 25135 3060 1 4 . 1 1 75 75 GLU N N 75 123.500 123.500 122.750 0.750 25135 3061 1 4 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.823 0.287 25135 3062 1 4 . 1 1 75 75 GLU C C 75 178.500 178.500 179.225 -0.725 25135 3063 1 4 . 1 1 75 75 GLU CA C 75 58.700 58.700 59.406 -0.706 25135 3064 1 4 . 1 1 75 75 GLU CB C 75 29.900 29.900 29.726 0.174 25135 3065 1 4 . 1 1 75 75 GLU H H 75 8.110 8.110 8.320 -0.210 25135 3066 1 4 . 1 1 76 76 ILE N N 76 120.300 120.300 119.342 0.958 25135 3067 1 4 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.902 -0.082 25135 3068 1 4 . 1 1 76 76 ILE C C 76 178.300 178.300 178.536 -0.236 25135 3069 1 4 . 1 1 76 76 ILE CA C 76 65.500 65.500 65.370 0.131 25135 3070 1 4 . 1 1 76 76 ILE CB C 76 37.900 37.900 38.222 -0.322 25135 3071 1 4 . 1 1 76 76 ILE H H 76 8.330 8.330 8.736 -0.406 25135 3072 1 4 . 1 1 77 77 GLU N N 77 119.400 119.400 119.991 -0.591 25135 3073 1 4 . 1 1 77 77 GLU HA H 77 3.920 3.920 3.955 -0.035 25135 3074 1 4 . 1 1 77 77 GLU C C 77 180.200 180.200 178.283 1.917 25135 3075 1 4 . 1 1 77 77 GLU CA C 77 59.700 59.700 59.359 0.341 25135 3076 1 4 . 1 1 77 77 GLU CB C 77 29.300 29.300 29.546 -0.246 25135 3077 1 4 . 1 1 77 77 GLU H H 77 7.860 7.860 8.119 -0.259 25135 3078 1 4 . 1 1 78 78 LYS N N 78 121.600 121.600 118.291 3.309 25135 3079 1 4 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.024 -0.124 25135 3080 1 4 . 1 1 78 78 LYS C C 78 179.200 179.200 178.167 1.033 25135 3081 1 4 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.473 1.427 25135 3082 1 4 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.303 -0.003 25135 3083 1 4 . 1 1 78 78 LYS H H 78 7.760 7.760 8.260 -0.500 25135 3084 1 4 . 1 1 79 79 PHE N N 79 115.900 115.900 116.623 -0.723 25135 3085 1 4 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.590 0.090 25135 3086 1 4 . 1 1 79 79 PHE C C 79 174.100 174.100 176.523 -2.423 25135 3087 1 4 . 1 1 79 79 PHE CA C 79 58.200 58.200 57.772 0.428 25135 3088 1 4 . 1 1 79 79 PHE CB C 79 36.900 36.900 39.554 -2.654 25135 3089 1 4 . 1 1 79 79 PHE H H 79 8.170 8.170 7.484 0.686 25135 3090 1 4 . 1 1 80 80 SER N N 80 113.300 113.300 115.312 -2.012 25135 3091 1 4 . 1 1 80 80 SER HA H 80 4.500 4.500 4.152 0.348 25135 3092 1 4 . 1 1 80 80 SER C C 80 173.700 173.700 174.736 -1.036 25135 3093 1 4 . 1 1 80 80 SER CA C 80 60.500 60.500 60.160 0.340 25135 3094 1 4 . 1 1 80 80 SER CB C 80 63.400 63.400 63.415 -0.015 25135 3095 1 4 . 1 1 80 80 SER H H 80 7.700 7.700 7.433 0.267 25135 3096 1 4 . 1 1 81 81 ASN N N 81 119.500 119.500 118.916 0.584 25135 3097 1 4 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.641 0.329 25135 3098 1 4 . 1 1 81 81 ASN CA C 81 52.100 52.100 52.697 -0.597 25135 3099 1 4 . 1 1 81 81 ASN CB C 81 40.300 40.300 38.456 1.844 25135 3100 1 4 . 1 1 81 81 ASN H H 81 7.290 7.290 7.924 -0.634 25135 3101 1 4 . 1 1 82 82 ARG N N 82 127.400 127.400 127.500 -0.100 25135 3102 1 4 . 1 1 82 82 ARG HA H 82 3.590 3.590 3.049 0.541 25135 3103 1 4 . 1 1 82 82 ARG C C 82 177.700 177.700 177.463 0.237 25135 3104 1 4 . 1 1 82 82 ARG CA C 82 59.800 59.800 59.219 0.581 25135 3105 1 4 . 1 1 82 82 ARG CB C 82 30.100 30.100 28.801 1.299 25135 3106 1 4 . 1 1 82 82 ARG H H 82 9.050 9.050 8.245 0.805 25135 3107 1 4 . 1 1 83 83 SER N N 83 114.600 114.600 113.846 0.754 25135 3108 1 4 . 1 1 83 83 SER HA H 83 3.930 3.930 4.230 -0.300 25135 3109 1 4 . 1 1 83 83 SER C C 83 177.100 177.100 176.616 0.484 25135 3110 1 4 . 1 1 83 83 SER CA C 83 62.200 62.200 61.080 1.120 25135 3111 1 4 . 1 1 83 83 SER CB C 83 62.000 62.000 62.578 -0.577 25135 3112 1 4 . 1 1 83 83 SER H H 83 8.390 8.390 8.341 0.049 25135 3113 1 4 . 1 1 84 84 ASN N N 84 119.700 119.700 119.818 -0.118 25135 3114 1 4 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.635 -0.035 25135 3115 1 4 . 1 1 84 84 ASN C C 84 179.100 179.100 177.801 1.299 25135 3116 1 4 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.726 -0.326 25135 3117 1 4 . 1 1 84 84 ASN CB C 84 37.600 37.600 38.613 -1.013 25135 3118 1 4 . 1 1 84 84 ASN H H 84 7.980 7.980 8.309 -0.329 25135 3119 1 4 . 1 1 85 85 ILE N N 85 122.100 122.100 121.586 0.514 25135 3120 1 4 . 1 1 85 85 ILE HA H 85 3.820 3.820 4.071 -0.251 25135 3121 1 4 . 1 1 85 85 ILE C C 85 176.900 176.900 177.805 -0.905 25135 3122 1 4 . 1 1 85 85 ILE CA C 85 64.700 64.700 65.399 -0.699 25135 3123 1 4 . 1 1 85 85 ILE CB C 85 37.400 37.400 37.008 0.392 25135 3124 1 4 . 1 1 85 85 ILE H H 85 7.760 7.760 7.744 0.016 25135 3125 1 4 . 1 1 86 86 CYS N N 86 119.200 119.200 117.088 2.112 25135 3126 1 4 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.720 0.220 25135 3127 1 4 . 1 1 86 86 CYS C C 86 177.400 177.400 176.278 1.122 25135 3128 1 4 . 1 1 86 86 CYS CA C 86 63.800 63.800 63.578 0.222 25135 3129 1 4 . 1 1 86 86 CYS CB C 86 26.900 26.900 27.228 -0.328 25135 3130 1 4 . 1 1 86 86 CYS H H 86 8.330 8.330 8.071 0.259 25135 3131 1 4 . 1 1 87 87 ARG N N 87 119.200 119.200 119.440 -0.240 25135 3132 1 4 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.289 -0.269 25135 3133 1 4 . 1 1 87 87 ARG C C 87 178.500 178.500 178.073 0.427 25135 3134 1 4 . 1 1 87 87 ARG CA C 87 59.500 59.500 58.412 1.088 25135 3135 1 4 . 1 1 87 87 ARG CB C 87 30.300 30.300 29.397 0.903 25135 3136 1 4 . 1 1 87 87 ARG H H 87 7.900 7.900 7.608 0.292 25135 3137 1 4 . 1 1 88 88 PHE N N 88 120.300 120.300 122.093 -1.793 25135 3138 1 4 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.481 -0.261 25135 3139 1 4 . 1 1 88 88 PHE C C 88 177.200 177.200 176.131 1.069 25135 3140 1 4 . 1 1 88 88 PHE CA C 88 61.500 61.500 59.956 1.544 25135 3141 1 4 . 1 1 88 88 PHE CB C 88 39.800 39.800 39.501 0.299 25135 3142 1 4 . 1 1 88 88 PHE H H 88 7.760 7.760 7.989 -0.229 25135 3143 1 4 . 1 1 89 89 LEU N N 89 117.900 117.900 119.525 -1.625 25135 3144 1 4 . 1 1 89 89 LEU HA H 89 3.640 3.640 3.051 0.589 25135 3145 1 4 . 1 1 89 89 LEU C C 89 178.700 178.700 179.081 -0.381 25135 3146 1 4 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.526 -0.126 25135 3147 1 4 . 1 1 89 89 LEU CB C 89 41.600 41.600 40.596 1.004 25135 3148 1 4 . 1 1 89 89 LEU H H 89 8.590 8.590 8.130 0.460 25135 3149 1 4 . 1 1 90 90 THR N N 90 112.000 112.000 113.287 -1.287 25135 3150 1 4 . 1 1 90 90 THR HA H 90 3.980 3.980 4.054 -0.074 25135 3151 1 4 . 1 1 90 90 THR C C 90 174.900 174.900 176.357 -1.457 25135 3152 1 4 . 1 1 90 90 THR CA C 90 65.200 65.200 65.556 -0.356 25135 3153 1 4 . 1 1 90 90 THR CB C 90 69.300 69.300 68.931 0.369 25135 3154 1 4 . 1 1 90 90 THR H H 90 7.690 7.690 7.640 0.050 25135 3155 1 4 . 1 1 91 91 ALA N N 91 122.400 122.400 122.015 0.385 25135 3156 1 4 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.283 -0.013 25135 3157 1 4 . 1 1 91 91 ALA C C 91 177.500 177.500 177.599 -0.099 25135 3158 1 4 . 1 1 91 91 ALA CA C 91 53.000 53.000 52.980 0.020 25135 3159 1 4 . 1 1 91 91 ALA CB C 91 20.000 20.000 18.968 1.032 25135 3160 1 4 . 1 1 91 91 ALA H H 91 7.220 7.220 7.524 -0.304 25135 3161 1 4 . 1 1 92 92 SER N N 92 112.900 112.900 112.741 0.159 25135 3162 1 4 . 1 1 92 92 SER HA H 92 4.130 4.130 4.128 0.002 25135 3163 1 4 . 1 1 92 92 SER CA C 92 57.600 57.600 58.712 -1.112 25135 3164 1 4 . 1 1 92 92 SER CB C 92 64.000 64.000 61.578 2.422 25135 3165 1 4 . 1 1 92 92 SER H H 92 7.510 7.510 7.892 -0.382 25135 3166 1 4 . 1 1 93 93 GLN N N 93 125.700 125.700 122.557 3.143 25135 3167 1 4 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.188 0.012 25135 3168 1 4 . 1 1 93 93 GLN C C 93 176.700 176.700 176.344 0.356 25135 3169 1 4 . 1 1 93 93 GLN CA C 93 57.700 57.700 59.046 -1.346 25135 3170 1 4 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.566 -0.566 25135 3171 1 4 . 1 1 93 93 GLN H H 93 8.710 8.710 8.466 0.244 25135 3172 1 4 . 1 1 94 94 ASP N N 94 116.400 116.400 114.128 2.272 25135 3173 1 4 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.772 -0.212 25135 3174 1 4 . 1 1 94 94 ASP CA C 94 54.000 54.000 54.086 -0.085 25135 3175 1 4 . 1 1 94 94 ASP CB C 94 41.700 41.700 42.228 -0.528 25135 3176 1 4 . 1 1 94 94 ASP H H 94 7.800 7.800 8.651 -0.851 25135 3177 1 4 . 1 1 95 95 LYS N N 95 114.300 114.300 114.198 0.102 25135 3178 1 4 . 1 1 95 95 LYS H H 95 8.290 8.290 8.678 -0.388 25135 3179 1 4 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.424 -0.104 25135 3180 1 4 . 1 1 96 96 ILE C C 96 177.000 177.000 177.118 -0.118 25135 3181 1 4 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.705 1.095 25135 3182 1 4 . 1 1 96 96 ILE CB C 96 38.100 38.100 40.371 -2.271 25135 3183 1 4 . 1 1 97 97 LEU N N 97 131.100 131.100 126.900 4.200 25135 3184 1 4 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.358 -0.238 25135 3185 1 4 . 1 1 97 97 LEU C C 97 177.200 177.200 177.470 -0.270 25135 3186 1 4 . 1 1 97 97 LEU CA C 97 58.000 58.000 58.722 -0.722 25135 3187 1 4 . 1 1 97 97 LEU CB C 97 42.900 42.900 41.934 0.966 25135 3188 1 4 . 1 1 97 97 LEU H H 97 8.620 8.620 9.188 -0.568 25135 3189 1 4 . 1 1 98 98 PHE N N 98 113.600 113.600 110.333 3.267 25135 3190 1 4 . 1 1 98 98 PHE HA H 98 5.100 5.100 5.116 -0.016 25135 3191 1 4 . 1 1 98 98 PHE C C 98 175.400 175.400 175.238 0.162 25135 3192 1 4 . 1 1 98 98 PHE CA C 98 55.700 55.700 54.464 1.236 25135 3193 1 4 . 1 1 98 98 PHE CB C 98 37.600 37.600 37.450 0.149 25135 3194 1 4 . 1 1 98 98 PHE H H 98 8.450 8.450 7.787 0.663 25135 3195 1 4 . 1 1 99 99 LYS N N 99 119.500 119.500 122.662 -3.162 25135 3196 1 4 . 1 1 99 99 LYS HA H 99 3.880 3.880 3.909 -0.029 25135 3197 1 4 . 1 1 99 99 LYS C C 99 178.900 178.900 178.370 0.530 25135 3198 1 4 . 1 1 99 99 LYS CA C 99 61.100 61.100 60.148 0.952 25135 3199 1 4 . 1 1 99 99 LYS CB C 99 33.500 33.500 31.646 1.854 25135 3200 1 4 . 1 1 99 99 LYS H H 99 6.790 6.790 7.107 -0.317 25135 3201 1 4 . 1 1 100 100 ASP N N 100 117.800 117.800 118.362 -0.562 25135 3202 1 4 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.406 0.204 25135 3203 1 4 . 1 1 100 100 ASP C C 100 179.000 179.000 178.521 0.479 25135 3204 1 4 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.355 0.445 25135 3205 1 4 . 1 1 100 100 ASP CB C 100 40.400 40.400 40.056 0.344 25135 3206 1 4 . 1 1 100 100 ASP H H 100 8.520 8.520 8.686 -0.166 25135 3207 1 4 . 1 1 101 101 VAL N N 101 122.600 122.600 119.477 3.123 25135 3208 1 4 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.821 0.039 25135 3209 1 4 . 1 1 101 101 VAL C C 101 177.100 177.100 178.097 -0.997 25135 3210 1 4 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.772 -1.072 25135 3211 1 4 . 1 1 101 101 VAL CB C 101 32.300 32.300 31.887 0.413 25135 3212 1 4 . 1 1 101 101 VAL H H 101 8.210 8.210 7.313 0.897 25135 3213 1 4 . 1 1 102 102 ASN N N 102 121.000 121.000 118.305 2.695 25135 3214 1 4 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.913 -0.353 25135 3215 1 4 . 1 1 102 102 ASN C C 102 178.500 178.500 178.125 0.375 25135 3216 1 4 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.674 -0.474 25135 3217 1 4 . 1 1 102 102 ASN CB C 102 37.900 37.900 37.961 -0.061 25135 3218 1 4 . 1 1 102 102 ASN H H 102 9.060 9.060 9.115 -0.055 25135 3219 1 4 . 1 1 103 103 ARG N N 103 120.700 120.700 120.446 0.254 25135 3220 1 4 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.216 -0.056 25135 3221 1 4 . 1 1 103 103 ARG C C 103 177.900 177.900 178.544 -0.644 25135 3222 1 4 . 1 1 103 103 ARG CA C 103 59.100 59.100 59.643 -0.543 25135 3223 1 4 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.714 -0.814 25135 3224 1 4 . 1 1 103 103 ARG H H 103 7.640 7.640 8.701 -1.061 25135 3225 1 4 . 1 1 104 104 LYS N N 104 119.700 119.700 121.079 -1.379 25135 3226 1 4 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.255 -0.065 25135 3227 1 4 . 1 1 104 104 LYS C C 104 179.300 179.300 178.680 0.620 25135 3228 1 4 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.281 0.820 25135 3229 1 4 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.785 -0.285 25135 3230 1 4 . 1 1 104 104 LYS H H 104 7.960 7.960 8.339 -0.379 25135 3231 1 4 . 1 1 105 105 LEU N N 105 118.200 118.200 121.431 -3.231 25135 3232 1 4 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.210 -0.170 25135 3233 1 4 . 1 1 105 105 LEU C C 105 178.400 178.400 178.653 -0.253 25135 3234 1 4 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.277 0.223 25135 3235 1 4 . 1 1 105 105 LEU CB C 105 42.500 42.500 42.112 0.388 25135 3236 1 4 . 1 1 105 105 LEU H H 105 8.990 8.990 9.078 -0.088 25135 3237 1 4 . 1 1 106 106 SER N N 106 111.700 111.700 113.898 -2.198 25135 3238 1 4 . 1 1 106 106 SER HA H 106 3.870 3.870 4.338 -0.468 25135 3239 1 4 . 1 1 106 106 SER C C 106 177.500 177.500 176.870 0.630 25135 3240 1 4 . 1 1 106 106 SER CA C 106 61.400 61.400 61.722 -0.322 25135 3241 1 4 . 1 1 106 106 SER CB C 106 62.600 62.600 62.325 0.275 25135 3242 1 4 . 1 1 106 106 SER H H 106 7.980 7.980 7.880 0.100 25135 3243 1 4 . 1 1 107 107 ASP N N 107 122.000 122.000 123.345 -1.345 25135 3244 1 4 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.409 0.031 25135 3245 1 4 . 1 1 107 107 ASP C C 107 179.700 179.700 178.674 1.026 25135 3246 1 4 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.217 0.683 25135 3247 1 4 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.548 0.052 25135 3248 1 4 . 1 1 107 107 ASP H H 107 8.500 8.500 7.623 0.877 25135 3249 1 4 . 1 1 108 108 VAL N N 108 119.200 119.200 119.478 -0.278 25135 3250 1 4 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.758 0.252 25135 3251 1 4 . 1 1 108 108 VAL C C 108 178.400 178.400 177.584 0.816 25135 3252 1 4 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.145 -0.546 25135 3253 1 4 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.689 -0.189 25135 3254 1 4 . 1 1 108 108 VAL H H 108 8.830 8.830 7.957 0.873 25135 3255 1 4 . 1 1 109 109 TRP N N 109 121.900 121.900 121.419 0.481 25135 3256 1 4 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.918 0.352 25135 3257 1 4 . 1 1 109 109 TRP C C 109 178.000 178.000 177.473 0.527 25135 3258 1 4 . 1 1 109 109 TRP CA C 109 60.100 60.100 59.682 0.418 25135 3259 1 4 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.397 0.303 25135 3260 1 4 . 1 1 109 109 TRP H H 109 8.710 8.710 7.775 0.935 25135 3261 1 4 . 1 1 110 110 LYS N N 110 119.500 119.500 119.589 -0.089 25135 3262 1 4 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.709 -0.079 25135 3263 1 4 . 1 1 110 110 LYS C C 110 178.000 178.000 178.984 -0.984 25135 3264 1 4 . 1 1 110 110 LYS CA C 110 60.500 60.500 59.720 0.780 25135 3265 1 4 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.120 0.080 25135 3266 1 4 . 1 1 110 110 LYS H H 110 8.010 8.010 7.460 0.550 25135 3267 1 4 . 1 1 111 111 GLU N N 111 116.700 116.700 119.289 -2.589 25135 3268 1 4 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.045 -0.035 25135 3269 1 4 . 1 1 111 111 GLU C C 111 178.400 178.400 179.296 -0.896 25135 3270 1 4 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.911 -0.111 25135 3271 1 4 . 1 1 111 111 GLU CB C 111 30.400 30.400 29.764 0.636 25135 3272 1 4 . 1 1 111 111 GLU H H 111 7.000 7.000 7.896 -0.896 25135 3273 1 4 . 1 1 112 112 LEU N N 112 119.000 119.000 120.776 -1.776 25135 3274 1 4 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.233 -0.493 25135 3275 1 4 . 1 1 112 112 LEU C C 112 177.600 177.600 177.538 0.062 25135 3276 1 4 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.200 0.600 25135 3277 1 4 . 1 1 112 112 LEU CB C 112 42.200 42.200 42.092 0.109 25135 3278 1 4 . 1 1 112 112 LEU H H 112 8.380 8.380 8.069 0.311 25135 3279 1 4 . 1 1 113 113 SER N N 113 113.100 113.100 115.765 -2.665 25135 3280 1 4 . 1 1 113 113 SER HA H 113 3.190 3.190 3.482 -0.292 25135 3281 1 4 . 1 1 113 113 SER C C 113 176.300 176.300 176.297 0.003 25135 3282 1 4 . 1 1 113 113 SER CA C 113 61.600 61.600 61.232 0.368 25135 3283 1 4 . 1 1 113 113 SER CB C 113 61.800 61.800 61.836 -0.036 25135 3284 1 4 . 1 1 113 113 SER H H 113 8.490 8.490 7.861 0.629 25135 3285 1 4 . 1 1 114 114 LEU N N 114 121.500 121.500 120.928 0.572 25135 3286 1 4 . 1 1 114 114 LEU HA H 114 4.020 4.020 3.941 0.079 25135 3287 1 4 . 1 1 114 114 LEU C C 114 179.100 179.100 178.160 0.940 25135 3288 1 4 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.822 0.178 25135 3289 1 4 . 1 1 114 114 LEU CB C 114 41.800 41.800 41.316 0.484 25135 3290 1 4 . 1 1 114 114 LEU H H 114 6.810 6.810 7.600 -0.790 25135 3291 1 4 . 1 1 115 115 LEU N N 115 118.200 118.200 118.256 -0.056 25135 3292 1 4 . 1 1 115 115 LEU HA H 115 4.060 4.060 3.920 0.140 25135 3293 1 4 . 1 1 115 115 LEU C C 115 179.600 179.600 179.104 0.496 25135 3294 1 4 . 1 1 115 115 LEU CA C 115 57.700 57.700 57.141 0.559 25135 3295 1 4 . 1 1 115 115 LEU CB C 115 43.100 43.100 41.442 1.658 25135 3296 1 4 . 1 1 115 115 LEU H H 115 7.270 7.270 7.221 0.049 25135 3297 1 4 . 1 1 116 116 LEU N N 116 118.700 118.700 120.520 -1.820 25135 3298 1 4 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.830 0.020 25135 3299 1 4 . 1 1 116 116 LEU C C 116 179.300 179.300 178.952 0.348 25135 3300 1 4 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.163 -0.563 25135 3301 1 4 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.676 -0.276 25135 3302 1 4 . 1 1 116 116 LEU H H 116 8.440 8.440 8.206 0.234 25135 3303 1 4 . 1 1 117 117 GLN N N 117 119.500 119.500 117.074 2.426 25135 3304 1 4 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.187 0.153 25135 3305 1 4 . 1 1 117 117 GLN C C 117 178.200 178.200 178.728 -0.528 25135 3306 1 4 . 1 1 117 117 GLN CA C 117 58.800 58.800 59.041 -0.241 25135 3307 1 4 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.597 0.203 25135 3308 1 4 . 1 1 117 117 GLN H H 117 8.030 8.030 8.077 -0.047 25135 3309 1 4 . 1 1 118 118 VAL N N 118 117.600 117.600 118.510 -0.910 25135 3310 1 4 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.831 0.009 25135 3311 1 4 . 1 1 118 118 VAL C C 118 177.900 177.900 177.368 0.532 25135 3312 1 4 . 1 1 118 118 VAL CA C 118 65.400 65.400 64.859 0.541 25135 3313 1 4 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.774 1.126 25135 3314 1 4 . 1 1 118 118 VAL H H 118 8.110 8.110 7.120 0.990 25135 3315 1 4 . 1 1 119 119 GLU N N 119 116.900 116.900 118.580 -1.680 25135 3316 1 4 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.138 0.172 25135 3317 1 4 . 1 1 119 119 GLU C C 119 177.700 177.700 178.906 -1.206 25135 3318 1 4 . 1 1 119 119 GLU CA C 119 58.400 58.400 58.823 -0.423 25135 3319 1 4 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.352 1.348 25135 3320 1 4 . 1 1 119 119 GLU H H 119 8.620 8.620 8.525 0.095 25135 3321 1 4 . 1 1 120 120 GLN N N 120 113.300 113.300 117.055 -3.755 25135 3322 1 4 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.315 0.135 25135 3323 1 4 . 1 1 120 120 GLN C C 120 174.700 174.700 176.564 -1.864 25135 3324 1 4 . 1 1 120 120 GLN CA C 120 54.500 54.500 56.126 -1.626 25135 3325 1 4 . 1 1 120 120 GLN CB C 120 28.600 28.600 29.711 -1.111 25135 3326 1 4 . 1 1 120 120 GLN H H 120 7.350 7.350 8.020 -0.670 25135 3327 1 4 . 1 1 121 121 ARG N N 121 114.800 114.800 113.764 1.036 25135 3328 1 4 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.120 0.000 25135 3329 1 4 . 1 1 121 121 ARG C C 121 175.600 175.600 175.798 -0.198 25135 3330 1 4 . 1 1 121 121 ARG CA C 121 56.600 56.600 56.925 -0.325 25135 3331 1 4 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.357 0.343 25135 3332 1 4 . 1 1 121 121 ARG H H 121 7.410 7.410 8.089 -0.679 25135 3333 1 4 . 1 1 122 122 MET N N 122 120.300 120.300 117.578 2.722 25135 3334 1 4 . 1 1 122 122 MET HA H 122 4.600 4.600 4.834 -0.234 25135 3335 1 4 . 1 1 122 122 MET CA C 122 53.700 53.700 53.333 0.367 25135 3336 1 4 . 1 1 122 122 MET CB C 122 34.700 34.700 32.482 2.218 25135 3337 1 4 . 1 1 122 122 MET H H 122 7.760 7.760 7.498 0.262 25135 3338 1 4 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.434 0.046 25135 3339 1 4 . 1 1 123 123 PRO C C 123 176.300 176.300 175.769 0.531 25135 3340 1 4 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.596 -0.797 25135 3341 1 4 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.694 -0.394 25135 3342 1 4 . 1 1 124 124 VAL N N 124 120.000 120.000 121.750 -1.750 25135 3343 1 4 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.367 -0.287 25135 3344 1 4 . 1 1 124 124 VAL C C 124 175.800 175.800 175.054 0.746 25135 3345 1 4 . 1 1 124 124 VAL CA C 124 61.700 61.700 60.761 0.939 25135 3346 1 4 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.481 -1.381 25135 3347 1 4 . 1 1 124 124 VAL H H 124 8.080 8.080 8.262 -0.182 25135 3348 1 4 . 1 1 125 125 SER N N 125 121.200 121.200 119.571 1.629 25135 3349 1 4 . 1 1 125 125 SER HA H 125 4.800 4.800 4.929 -0.129 25135 3350 1 4 . 1 1 125 125 SER CA C 125 56.200 56.200 56.524 -0.324 25135 3351 1 4 . 1 1 125 125 SER CB C 125 63.700 63.700 63.048 0.652 25135 3352 1 4 . 1 1 125 125 SER H H 125 8.380 8.380 8.247 0.133 25135 3353 1 4 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.412 0.068 25135 3354 1 4 . 1 1 126 126 PRO C C 126 177.100 177.100 175.892 1.208 25135 3355 1 4 . 1 1 126 126 PRO CA C 126 63.400 63.400 63.032 0.368 25135 3356 1 4 . 1 1 126 126 PRO CB C 126 31.900 31.900 29.546 2.354 25135 3357 1 4 . 1 1 127 127 ILE N N 127 119.900 119.900 119.897 0.003 25135 3358 1 4 . 1 1 127 127 ILE HA H 127 4.140 4.140 4.070 0.070 25135 3359 1 4 . 1 1 127 127 ILE C C 127 176.300 176.300 177.059 -0.759 25135 3360 1 4 . 1 1 127 127 ILE CA C 127 61.300 61.300 61.798 -0.498 25135 3361 1 4 . 1 1 127 127 ILE CB C 127 38.800 38.800 36.204 2.596 25135 3362 1 4 . 1 1 127 127 ILE H H 127 8.050 8.050 8.792 -0.742 25135 3363 1 4 . 1 1 128 128 SER N N 128 119.000 119.000 117.879 1.121 25135 3364 1 4 . 1 1 128 128 SER HA H 128 4.400 4.400 4.133 0.267 25135 3365 1 4 . 1 1 128 128 SER C C 128 174.600 174.600 175.917 -1.317 25135 3366 1 4 . 1 1 128 128 SER CA C 128 58.300 58.300 61.347 -3.047 25135 3367 1 4 . 1 1 128 128 SER CB C 128 63.600 63.600 63.469 0.131 25135 3368 1 4 . 1 1 128 128 SER H H 128 8.230 8.230 8.983 -0.753 25135 3369 1 4 . 1 1 129 129 GLN N N 129 122.600 122.600 118.083 4.517 25135 3370 1 4 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.318 -0.088 25135 3371 1 4 . 1 1 129 129 GLN C C 129 176.200 176.200 176.451 -0.251 25135 3372 1 4 . 1 1 129 129 GLN CA C 129 56.300 56.300 56.438 -0.138 25135 3373 1 4 . 1 1 129 129 GLN CB C 129 29.100 29.100 28.927 0.173 25135 3374 1 4 . 1 1 129 129 GLN H H 129 8.340 8.340 8.228 0.112 25135 3375 1 4 . 1 1 130 130 GLY N N 130 109.200 109.200 107.290 1.910 25135 3376 1 4 . 1 1 130 130 GLY C C 130 175.100 175.100 173.944 1.156 25135 3377 1 4 . 1 1 130 130 GLY CA C 130 45.200 45.200 45.162 0.038 25135 3378 1 4 . 1 1 130 130 GLY H H 130 8.150 8.150 8.399 -0.249 25135 3379 1 4 . 1 1 131 131 ALA N N 131 124.700 124.700 124.345 0.355 25135 3380 1 4 . 1 1 131 131 ALA HA H 131 4.230 4.230 2.953 1.277 25135 3381 1 4 . 1 1 131 131 ALA C C 131 178.700 178.700 177.485 1.215 25135 3382 1 4 . 1 1 131 131 ALA CA C 131 53.800 53.800 52.101 1.699 25135 3383 1 4 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.513 0.387 25135 3384 1 4 . 1 1 131 131 ALA H H 131 8.070 8.070 8.434 -0.364 25135 3385 1 4 . 1 1 132 132 SER N N 132 113.200 113.200 114.196 -0.996 25135 3386 1 4 . 1 1 132 132 SER HA H 132 4.580 4.580 4.368 0.212 25135 3387 1 4 . 1 1 132 132 SER C C 132 175.700 175.700 175.740 -0.040 25135 3388 1 4 . 1 1 132 132 SER CA C 132 58.500 58.500 59.147 -0.647 25135 3389 1 4 . 1 1 132 132 SER CB C 132 63.800 63.800 62.342 1.458 25135 3390 1 4 . 1 1 132 132 SER H H 132 8.340 8.340 7.906 0.434 25135 3391 1 4 . 1 1 133 133 TRP N N 133 122.800 122.800 122.642 0.158 25135 3392 1 4 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.316 0.214 25135 3393 1 4 . 1 1 133 133 TRP C C 133 178.200 178.200 177.774 0.426 25135 3394 1 4 . 1 1 133 133 TRP CA C 133 58.900 58.900 58.806 0.094 25135 3395 1 4 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.331 1.869 25135 3396 1 4 . 1 1 133 133 TRP H H 133 8.380 8.380 7.139 1.241 25135 3397 1 4 . 1 1 134 134 ALA N N 134 120.600 120.600 120.554 0.046 25135 3398 1 4 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.931 0.319 25135 3399 1 4 . 1 1 134 134 ALA C C 134 180.700 180.700 180.037 0.663 25135 3400 1 4 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.201 0.499 25135 3401 1 4 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.886 0.114 25135 3402 1 4 . 1 1 134 134 ALA H H 134 8.420 8.420 8.503 -0.083 25135 3403 1 4 . 1 1 135 135 GLN N N 135 118.900 118.900 117.667 1.233 25135 3404 1 4 . 1 1 135 135 GLN HA H 135 4.100 4.100 3.982 0.118 25135 3405 1 4 . 1 1 135 135 GLN C C 135 179.200 179.200 178.851 0.349 25135 3406 1 4 . 1 1 135 135 GLN CA C 135 59.000 59.000 59.204 -0.204 25135 3407 1 4 . 1 1 135 135 GLN CB C 135 28.500 28.500 28.549 -0.049 25135 3408 1 4 . 1 1 135 135 GLN H H 135 7.860 7.860 7.796 0.064 25135 3409 1 4 . 1 1 136 136 GLU N N 136 120.900 120.900 118.302 2.598 25135 3410 1 4 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.214 -0.394 25135 3411 1 4 . 1 1 136 136 GLU C C 136 177.800 177.800 179.070 -1.270 25135 3412 1 4 . 1 1 136 136 GLU CA C 136 59.000 59.000 58.611 0.389 25135 3413 1 4 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.286 0.714 25135 3414 1 4 . 1 1 136 136 GLU H H 136 7.720 7.720 7.678 0.042 25135 3415 1 4 . 1 1 137 137 ASP N N 137 118.200 118.200 120.846 -2.646 25135 3416 1 4 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.372 0.088 25135 3417 1 4 . 1 1 137 137 ASP C C 137 178.100 178.100 178.536 -0.436 25135 3418 1 4 . 1 1 137 137 ASP CA C 137 57.200 57.200 57.445 -0.245 25135 3419 1 4 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.595 -0.495 25135 3420 1 4 . 1 1 137 137 ASP H H 137 8.800 8.800 8.461 0.339 25135 3421 1 4 . 1 1 138 138 GLN N N 138 116.900 116.900 118.838 -1.938 25135 3422 1 4 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.033 -0.153 25135 3423 1 4 . 1 1 138 138 GLN C C 138 178.400 178.400 178.257 0.143 25135 3424 1 4 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.789 0.111 25135 3425 1 4 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.100 0.600 25135 3426 1 4 . 1 1 138 138 GLN H H 138 7.510 7.510 8.154 -0.644 25135 3427 1 4 . 1 1 139 139 GLN N N 139 119.500 119.500 119.523 -0.023 25135 3428 1 4 . 1 1 139 139 GLN HA H 139 4.110 4.110 4.003 0.107 25135 3429 1 4 . 1 1 139 139 GLN C C 139 178.900 178.900 178.644 0.256 25135 3430 1 4 . 1 1 139 139 GLN CA C 139 58.900 58.900 58.931 -0.031 25135 3431 1 4 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.678 -0.078 25135 3432 1 4 . 1 1 139 139 GLN H H 139 7.520 7.520 7.635 -0.115 25135 3433 1 4 . 1 1 140 140 ASP N N 140 121.700 121.700 118.479 3.221 25135 3434 1 4 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.535 -0.515 25135 3435 1 4 . 1 1 140 140 ASP C C 140 177.700 177.700 177.578 0.122 25135 3436 1 4 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.194 1.106 25135 3437 1 4 . 1 1 140 140 ASP CB C 140 40.700 40.700 41.057 -0.357 25135 3438 1 4 . 1 1 140 140 ASP H H 140 9.130 9.130 8.095 1.035 25135 3439 1 4 . 1 1 141 141 ALA N N 141 121.000 121.000 123.620 -2.620 25135 3440 1 4 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.085 0.165 25135 3441 1 4 . 1 1 141 141 ALA C C 141 180.800 180.800 179.199 1.601 25135 3442 1 4 . 1 1 141 141 ALA CA C 141 55.400 55.400 55.452 -0.052 25135 3443 1 4 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.594 0.906 25135 3444 1 4 . 1 1 141 141 ALA H H 141 8.720 8.720 7.936 0.784 25135 3445 1 4 . 1 1 142 142 ASP N N 142 119.100 119.100 118.001 1.099 25135 3446 1 4 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.335 0.095 25135 3447 1 4 . 1 1 142 142 ASP C C 142 178.600 178.600 179.102 -0.502 25135 3448 1 4 . 1 1 142 142 ASP CA C 142 57.600 57.600 58.092 -0.492 25135 3449 1 4 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.460 0.840 25135 3450 1 4 . 1 1 142 142 ASP H H 142 7.850 7.850 8.474 -0.624 25135 3451 1 4 . 1 1 143 143 GLU N N 143 119.500 119.500 118.470 1.030 25135 3452 1 4 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.171 -0.141 25135 3453 1 4 . 1 1 143 143 GLU C C 143 180.100 180.100 178.654 1.446 25135 3454 1 4 . 1 1 143 143 GLU CA C 143 59.700 59.700 59.041 0.659 25135 3455 1 4 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.714 -0.114 25135 3456 1 4 . 1 1 143 143 GLU H H 143 7.860 7.860 7.661 0.199 25135 3457 1 4 . 1 1 144 144 ASP N N 144 121.000 121.000 121.007 -0.007 25135 3458 1 4 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.423 0.227 25135 3459 1 4 . 1 1 144 144 ASP C C 144 179.500 179.500 178.449 1.051 25135 3460 1 4 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.489 0.011 25135 3461 1 4 . 1 1 144 144 ASP CB C 144 41.100 41.100 40.524 0.576 25135 3462 1 4 . 1 1 144 144 ASP H H 144 8.840 8.840 8.233 0.607 25135 3463 1 4 . 1 1 145 145 ARG N N 145 121.400 121.400 118.763 2.637 25135 3464 1 4 . 1 1 145 145 ARG HA H 145 4.130 4.130 4.138 -0.008 25135 3465 1 4 . 1 1 145 145 ARG C C 145 178.700 178.700 179.184 -0.484 25135 3466 1 4 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.265 0.235 25135 3467 1 4 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.463 0.137 25135 3468 1 4 . 1 1 145 145 ARG H H 145 8.510 8.510 8.219 0.291 25135 3469 1 4 . 1 1 146 146 ARG N N 146 119.400 119.400 118.727 0.673 25135 3470 1 4 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.199 -0.089 25135 3471 1 4 . 1 1 146 146 ARG C C 146 178.400 178.400 178.167 0.233 25135 3472 1 4 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.509 0.891 25135 3473 1 4 . 1 1 146 146 ARG CB C 146 30.200 30.200 29.978 0.222 25135 3474 1 4 . 1 1 146 146 ARG H H 146 7.680 7.680 7.820 -0.140 25135 3475 1 4 . 1 1 147 147 ALA N N 147 120.300 120.300 123.765 -3.465 25135 3476 1 4 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.167 0.143 25135 3477 1 4 . 1 1 147 147 ALA C C 147 179.500 179.500 178.989 0.511 25135 3478 1 4 . 1 1 147 147 ALA CA C 147 54.100 54.100 55.061 -0.961 25135 3479 1 4 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.833 0.267 25135 3480 1 4 . 1 1 147 147 ALA H H 147 7.840 7.840 7.979 -0.139 25135 3481 1 4 . 1 1 148 148 PHE N N 148 119.900 119.900 117.754 2.146 25135 3482 1 4 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.819 -0.429 25135 3483 1 4 . 1 1 148 148 PHE C C 148 176.900 176.900 177.205 -0.305 25135 3484 1 4 . 1 1 148 148 PHE CA C 148 60.500 60.500 58.346 2.154 25135 3485 1 4 . 1 1 148 148 PHE CB C 148 39.700 39.700 38.181 1.520 25135 3486 1 4 . 1 1 148 148 PHE H H 148 8.210 8.210 8.455 -0.245 25135 3487 1 4 . 1 1 149 149 GLN N N 149 118.500 118.500 119.274 -0.774 25135 3488 1 4 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.331 0.799 25135 3489 1 4 . 1 1 149 149 GLN C C 149 176.400 176.400 177.224 -0.824 25135 3490 1 4 . 1 1 149 149 GLN CA C 149 56.900 56.900 58.266 -1.366 25135 3491 1 4 . 1 1 149 149 GLN CB C 149 28.900 28.900 28.812 0.087 25135 3492 1 4 . 1 1 149 149 GLN H H 149 7.960 7.960 7.586 0.374 25135 3493 1 4 . 1 1 150 150 MET N N 150 118.000 118.000 112.502 5.498 25135 3494 1 4 . 1 1 150 150 MET HA H 150 4.360 4.360 4.547 -0.187 25135 3495 1 4 . 1 1 150 150 MET C C 150 176.300 176.300 176.083 0.217 25135 3496 1 4 . 1 1 150 150 MET CA C 150 56.000 56.000 56.150 -0.150 25135 3497 1 4 . 1 1 150 150 MET CB C 150 32.800 32.800 34.723 -1.923 25135 3498 1 4 . 1 1 150 150 MET H H 150 7.760 7.760 7.574 0.186 25135 3499 1 4 . 1 1 151 151 LEU N N 151 121.200 121.200 123.393 -2.193 25135 3500 1 4 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.455 -0.185 25135 3501 1 4 . 1 1 151 151 LEU C C 151 177.100 177.100 176.149 0.951 25135 3502 1 4 . 1 1 151 151 LEU CA C 151 55.400 55.400 53.883 1.518 25135 3503 1 4 . 1 1 151 151 LEU CB C 151 42.300 42.300 41.618 0.682 25135 3504 1 4 . 1 1 151 151 LEU H H 151 7.690 7.690 8.232 -0.542 25135 3505 1 4 . 1 1 152 152 ARG N N 152 121.800 121.800 125.314 -3.514 25135 3506 1 4 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.322 -0.082 25135 3507 1 4 . 1 1 152 152 ARG C C 152 176.000 176.000 175.998 0.002 25135 3508 1 4 . 1 1 152 152 ARG CA C 152 56.200 56.200 56.142 0.059 25135 3509 1 4 . 1 1 152 152 ARG CB C 152 30.900 30.900 28.693 2.207 25135 3510 1 4 . 1 1 152 152 ARG H H 152 8.120 8.120 8.721 -0.601 25135 3511 1 4 . 1 1 153 153 ARG N N 153 123.100 123.100 121.814 1.286 25135 3512 1 4 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.590 -0.230 25135 3513 1 4 . 1 1 153 153 ARG C C 153 174.900 174.900 174.508 0.392 25135 3514 1 4 . 1 1 153 153 ARG CA C 153 56.000 56.000 55.769 0.231 25135 3515 1 4 . 1 1 153 153 ARG CB C 153 31.000 31.000 30.430 0.570 25135 3516 1 4 . 1 1 153 153 ARG H H 153 8.380 8.380 7.874 0.506 25135 3517 1 5 . 1 1 2 2 GLU N N 2 120.000 120.000 120.781 -0.781 25135 3518 1 5 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.037 -0.057 25135 3519 1 5 . 1 1 2 2 GLU C C 2 178.400 178.400 177.727 0.673 25135 3520 1 5 . 1 1 2 2 GLU CA C 2 59.400 59.400 59.522 -0.122 25135 3521 1 5 . 1 1 2 2 GLU CB C 2 29.200 29.200 28.967 0.233 25135 3522 1 5 . 1 1 2 2 GLU H H 2 8.140 8.140 8.822 -0.682 25135 3523 1 5 . 1 1 3 3 ASN N N 3 117.300 117.300 114.746 2.554 25135 3524 1 5 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.695 -0.055 25135 3525 1 5 . 1 1 3 3 ASN C C 3 177.900 177.900 176.369 1.531 25135 3526 1 5 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.568 1.232 25135 3527 1 5 . 1 1 3 3 ASN CB C 3 39.000 39.000 38.365 0.635 25135 3528 1 5 . 1 1 3 3 ASN H H 3 7.960 7.960 8.620 -0.660 25135 3529 1 5 . 1 1 4 4 LEU N N 4 119.700 119.700 122.471 -2.771 25135 3530 1 5 . 1 1 4 4 LEU HA H 4 4.030 4.030 3.962 0.068 25135 3531 1 5 . 1 1 4 4 LEU C C 4 177.900 177.900 178.367 -0.467 25135 3532 1 5 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.830 -0.430 25135 3533 1 5 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.897 0.103 25135 3534 1 5 . 1 1 4 4 LEU H H 4 8.450 8.450 8.081 0.369 25135 3535 1 5 . 1 1 5 5 LYS N N 5 118.200 118.200 116.128 2.072 25135 3536 1 5 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.018 -0.078 25135 3537 1 5 . 1 1 5 5 LYS C C 5 179.200 179.200 178.862 0.338 25135 3538 1 5 . 1 1 5 5 LYS CA C 5 60.000 60.000 59.497 0.503 25135 3539 1 5 . 1 1 5 5 LYS CB C 5 31.900 31.900 32.153 -0.253 25135 3540 1 5 . 1 1 5 5 LYS H H 5 7.940 7.940 7.861 0.079 25135 3541 1 5 . 1 1 6 6 HIS N N 6 118.400 118.400 119.444 -1.044 25135 3542 1 5 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.479 -0.059 25135 3543 1 5 . 1 1 6 6 HIS C C 6 178.200 178.200 177.431 0.769 25135 3544 1 5 . 1 1 6 6 HIS CA C 6 59.100 59.100 58.866 0.234 25135 3545 1 5 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.144 0.756 25135 3546 1 5 . 1 1 6 6 HIS H H 6 7.710 7.710 7.813 -0.103 25135 3547 1 5 . 1 1 7 7 ILE N N 7 120.300 120.300 121.439 -1.139 25135 3548 1 5 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.493 -0.053 25135 3549 1 5 . 1 1 7 7 ILE C C 7 176.500 176.500 177.447 -0.947 25135 3550 1 5 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.608 0.392 25135 3551 1 5 . 1 1 7 7 ILE CB C 7 38.700 38.700 37.931 0.769 25135 3552 1 5 . 1 1 7 7 ILE H H 7 7.950 7.950 8.408 -0.458 25135 3553 1 5 . 1 1 8 8 ILE N N 8 120.200 120.200 119.412 0.788 25135 3554 1 5 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.426 0.154 25135 3555 1 5 . 1 1 8 8 ILE C C 8 178.000 178.000 177.785 0.215 25135 3556 1 5 . 1 1 8 8 ILE CA C 8 65.800 65.800 65.958 -0.158 25135 3557 1 5 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.512 1.088 25135 3558 1 5 . 1 1 8 8 ILE H H 8 8.450 8.450 8.927 -0.477 25135 3559 1 5 . 1 1 9 9 THR N N 9 115.400 115.400 114.635 0.765 25135 3560 1 5 . 1 1 9 9 THR HA H 9 3.880 3.880 3.974 -0.094 25135 3561 1 5 . 1 1 9 9 THR C C 9 176.300 176.300 176.670 -0.370 25135 3562 1 5 . 1 1 9 9 THR CA C 9 66.900 66.900 66.184 0.716 25135 3563 1 5 . 1 1 9 9 THR CB C 9 68.800 68.800 68.765 0.035 25135 3564 1 5 . 1 1 9 9 THR H H 9 8.120 8.120 7.437 0.683 25135 3565 1 5 . 1 1 10 10 LEU N N 10 122.100 122.100 121.752 0.348 25135 3566 1 5 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.111 -0.061 25135 3567 1 5 . 1 1 10 10 LEU C C 10 178.800 178.800 178.314 0.486 25135 3568 1 5 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.809 1.091 25135 3569 1 5 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.199 1.101 25135 3570 1 5 . 1 1 10 10 LEU H H 10 7.950 7.950 7.592 0.358 25135 3571 1 5 . 1 1 11 11 GLY N N 11 105.800 105.800 105.055 0.745 25135 3572 1 5 . 1 1 11 11 GLY C C 11 174.700 174.700 176.188 -1.488 25135 3573 1 5 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.083 0.417 25135 3574 1 5 . 1 1 11 11 GLY H H 11 8.660 8.660 8.575 0.085 25135 3575 1 5 . 1 1 12 12 GLN N N 12 119.600 119.600 119.882 -0.282 25135 3576 1 5 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.341 -0.351 25135 3577 1 5 . 1 1 12 12 GLN C C 12 179.600 179.600 178.638 0.962 25135 3578 1 5 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.390 1.910 25135 3579 1 5 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.440 -0.540 25135 3580 1 5 . 1 1 12 12 GLN H H 12 8.050 8.050 7.504 0.546 25135 3581 1 5 . 1 1 13 13 VAL N N 13 122.600 122.600 122.122 0.478 25135 3582 1 5 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.647 0.023 25135 3583 1 5 . 1 1 13 13 VAL C C 13 178.500 178.500 177.793 0.707 25135 3584 1 5 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.639 0.061 25135 3585 1 5 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.436 0.464 25135 3586 1 5 . 1 1 13 13 VAL H H 13 8.300 8.300 7.817 0.483 25135 3587 1 5 . 1 1 14 14 ILE N N 14 121.000 121.000 119.423 1.577 25135 3588 1 5 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.773 -0.303 25135 3589 1 5 . 1 1 14 14 ILE C C 14 177.700 177.700 178.173 -0.473 25135 3590 1 5 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.105 0.695 25135 3591 1 5 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.801 0.599 25135 3592 1 5 . 1 1 14 14 ILE H H 14 8.480 8.480 8.506 -0.026 25135 3593 1 5 . 1 1 15 15 HIS N N 15 118.900 118.900 118.258 0.642 25135 3594 1 5 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.363 -0.463 25135 3595 1 5 . 1 1 15 15 HIS C C 15 176.200 176.200 177.024 -0.824 25135 3596 1 5 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.017 2.283 25135 3597 1 5 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.132 -0.132 25135 3598 1 5 . 1 1 15 15 HIS H H 15 8.250 8.250 7.560 0.690 25135 3599 1 5 . 1 1 16 16 LYS N N 16 118.500 118.500 120.061 -1.561 25135 3600 1 5 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.657 0.013 25135 3601 1 5 . 1 1 16 16 LYS C C 16 179.200 179.200 178.798 0.402 25135 3602 1 5 . 1 1 16 16 LYS CA C 16 59.500 59.500 59.192 0.308 25135 3603 1 5 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.111 0.389 25135 3604 1 5 . 1 1 16 16 LYS H H 16 7.820 7.820 8.177 -0.357 25135 3605 1 5 . 1 1 17 17 ARG N N 17 117.600 117.600 119.738 -2.138 25135 3606 1 5 . 1 1 17 17 ARG HA H 17 3.960 3.960 4.041 -0.081 25135 3607 1 5 . 1 1 17 17 ARG C C 17 180.600 180.600 178.537 2.063 25135 3608 1 5 . 1 1 17 17 ARG CA C 17 59.200 59.200 59.580 -0.380 25135 3609 1 5 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.256 0.243 25135 3610 1 5 . 1 1 17 17 ARG H H 17 8.330 8.330 8.798 -0.468 25135 3611 1 5 . 1 1 18 18 CYS N N 18 118.100 118.100 114.905 3.195 25135 3612 1 5 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.172 -0.282 25135 3613 1 5 . 1 1 18 18 CYS C C 18 177.300 177.300 176.378 0.922 25135 3614 1 5 . 1 1 18 18 CYS CA C 18 65.900 65.900 60.859 5.041 25135 3615 1 5 . 1 1 18 18 CYS CB C 18 27.600 27.600 27.762 -0.162 25135 3616 1 5 . 1 1 18 18 CYS H H 18 8.550 8.550 7.596 0.954 25135 3617 1 5 . 1 1 19 19 GLU N N 19 117.900 117.900 119.233 -1.333 25135 3618 1 5 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.080 -0.270 25135 3619 1 5 . 1 1 19 19 GLU C C 19 177.100 177.100 177.961 -0.861 25135 3620 1 5 . 1 1 19 19 GLU CA C 19 58.300 58.300 58.528 -0.228 25135 3621 1 5 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.365 0.635 25135 3622 1 5 . 1 1 19 19 GLU H H 19 7.540 7.540 7.658 -0.118 25135 3623 1 5 . 1 1 20 20 GLU N N 20 115.400 115.400 115.512 -0.112 25135 3624 1 5 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.192 0.028 25135 3625 1 5 . 1 1 20 20 GLU C C 20 177.100 177.100 177.561 -0.461 25135 3626 1 5 . 1 1 20 20 GLU CA C 20 55.900 55.900 56.433 -0.533 25135 3627 1 5 . 1 1 20 20 GLU CB C 20 30.600 30.600 30.084 0.516 25135 3628 1 5 . 1 1 20 20 GLU H H 20 7.190 7.190 7.605 -0.415 25135 3629 1 5 . 1 1 21 21 MET N N 21 120.500 120.500 118.672 1.828 25135 3630 1 5 . 1 1 21 21 MET HA H 21 4.260 4.260 4.263 -0.003 25135 3631 1 5 . 1 1 21 21 MET C C 21 177.800 177.800 176.241 1.559 25135 3632 1 5 . 1 1 21 21 MET CA C 21 56.400 56.400 55.767 0.633 25135 3633 1 5 . 1 1 21 21 MET CB C 21 33.300 33.300 32.181 1.119 25135 3634 1 5 . 1 1 21 21 MET H H 21 6.940 6.940 7.663 -0.723 25135 3635 1 5 . 1 1 22 22 LYS N N 22 120.500 120.500 123.514 -3.014 25135 3636 1 5 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.318 -0.368 25135 3637 1 5 . 1 1 22 22 LYS C C 22 175.400 175.400 176.216 -0.816 25135 3638 1 5 . 1 1 22 22 LYS CA C 22 57.000 57.000 56.255 0.744 25135 3639 1 5 . 1 1 22 22 LYS CB C 22 33.600 33.600 33.506 0.094 25135 3640 1 5 . 1 1 22 22 LYS H H 22 8.760 8.760 8.771 -0.011 25135 3641 1 5 . 1 1 23 23 TYR N N 23 115.500 115.500 118.532 -3.032 25135 3642 1 5 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.577 0.333 25135 3643 1 5 . 1 1 23 23 TYR C C 23 173.700 173.700 175.481 -1.781 25135 3644 1 5 . 1 1 23 23 TYR CA C 23 55.000 55.000 58.608 -3.608 25135 3645 1 5 . 1 1 23 23 TYR CB C 23 41.900 41.900 40.642 1.258 25135 3646 1 5 . 1 1 23 23 TYR H H 23 7.260 7.260 8.026 -0.766 25135 3647 1 5 . 1 1 24 24 CYS N N 24 113.600 113.600 119.017 -5.417 25135 3648 1 5 . 1 1 24 24 CYS HA H 24 3.700 3.700 4.038 -0.338 25135 3649 1 5 . 1 1 24 24 CYS C C 24 174.700 174.700 175.948 -1.248 25135 3650 1 5 . 1 1 24 24 CYS CA C 24 60.400 60.400 59.600 0.800 25135 3651 1 5 . 1 1 24 24 CYS CB C 24 26.100 26.100 25.596 0.503 25135 3652 1 5 . 1 1 24 24 CYS H H 24 8.720 8.720 9.119 -0.399 25135 3653 1 5 . 1 1 25 25 LYS N N 25 115.800 115.800 118.517 -2.717 25135 3654 1 5 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.893 -0.313 25135 3655 1 5 . 1 1 25 25 LYS C C 25 179.800 179.800 178.518 1.282 25135 3656 1 5 . 1 1 25 25 LYS CA C 25 60.700 60.700 59.478 1.222 25135 3657 1 5 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.309 0.991 25135 3658 1 5 . 1 1 25 25 LYS H H 25 8.050 8.050 8.555 -0.505 25135 3659 1 5 . 1 1 26 26 LYS N N 26 121.000 121.000 119.455 1.545 25135 3660 1 5 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.945 0.045 25135 3661 1 5 . 1 1 26 26 LYS C C 26 181.300 181.300 179.450 1.850 25135 3662 1 5 . 1 1 26 26 LYS CA C 26 59.000 59.000 59.838 -0.838 25135 3663 1 5 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.895 -1.495 25135 3664 1 5 . 1 1 26 26 LYS H H 26 10.600 10.600 8.377 2.223 25135 3665 1 5 . 1 1 27 27 GLN N N 27 120.500 120.500 117.994 2.506 25135 3666 1 5 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.445 -0.475 25135 3667 1 5 . 1 1 27 27 GLN C C 27 180.200 180.200 178.383 1.817 25135 3668 1 5 . 1 1 27 27 GLN CA C 27 59.300 59.300 59.162 0.138 25135 3669 1 5 . 1 1 27 27 GLN CB C 27 32.100 32.100 28.827 3.273 25135 3670 1 5 . 1 1 27 27 GLN H H 27 9.890 9.890 7.804 2.086 25135 3671 1 5 . 1 1 28 28 CYS N N 28 118.800 118.800 119.555 -0.755 25135 3672 1 5 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.867 0.343 25135 3673 1 5 . 1 1 28 28 CYS C C 28 176.200 176.200 176.653 -0.453 25135 3674 1 5 . 1 1 28 28 CYS CA C 28 64.300 64.300 63.541 0.760 25135 3675 1 5 . 1 1 28 28 CYS CB C 28 26.800 26.800 26.460 0.340 25135 3676 1 5 . 1 1 28 28 CYS H H 28 8.550 8.550 8.112 0.438 25135 3677 1 5 . 1 1 29 29 ARG N N 29 119.300 119.300 119.205 0.095 25135 3678 1 5 . 1 1 29 29 ARG HA H 29 3.870 3.870 4.022 -0.152 25135 3679 1 5 . 1 1 29 29 ARG C C 29 178.900 178.900 178.731 0.169 25135 3680 1 5 . 1 1 29 29 ARG CA C 29 59.300 59.300 59.270 0.030 25135 3681 1 5 . 1 1 29 29 ARG CB C 29 29.200 29.200 29.173 0.027 25135 3682 1 5 . 1 1 29 29 ARG H H 29 8.700 8.700 8.654 0.046 25135 3683 1 5 . 1 1 30 30 ARG N N 30 119.700 119.700 119.964 -0.264 25135 3684 1 5 . 1 1 30 30 ARG HA H 30 3.890 3.890 4.095 -0.205 25135 3685 1 5 . 1 1 30 30 ARG C C 30 178.000 178.000 178.450 -0.450 25135 3686 1 5 . 1 1 30 30 ARG CA C 30 58.200 58.200 59.630 -1.430 25135 3687 1 5 . 1 1 30 30 ARG CB C 30 29.100 29.100 30.120 -1.020 25135 3688 1 5 . 1 1 30 30 ARG H H 30 7.810 7.810 7.409 0.401 25135 3689 1 5 . 1 1 31 31 LEU N N 31 120.600 120.600 121.052 -0.452 25135 3690 1 5 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.518 0.522 25135 3691 1 5 . 1 1 31 31 LEU C C 31 178.400 178.400 178.217 0.183 25135 3692 1 5 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.768 0.532 25135 3693 1 5 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.100 0.100 25135 3694 1 5 . 1 1 31 31 LEU H H 31 7.310 7.310 8.383 -1.073 25135 3695 1 5 . 1 1 32 32 GLY N N 32 105.200 105.200 105.174 0.026 25135 3696 1 5 . 1 1 32 32 GLY C C 32 175.600 175.600 175.863 -0.263 25135 3697 1 5 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.246 1.154 25135 3698 1 5 . 1 1 32 32 GLY H H 32 7.960 7.960 7.931 0.029 25135 3699 1 5 . 1 1 33 33 HIS N N 33 120.500 120.500 122.236 -1.736 25135 3700 1 5 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.218 0.012 25135 3701 1 5 . 1 1 33 33 HIS C C 33 179.400 179.400 178.145 1.255 25135 3702 1 5 . 1 1 33 33 HIS CA C 33 59.600 59.600 60.532 -0.932 25135 3703 1 5 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.045 0.555 25135 3704 1 5 . 1 1 33 33 HIS H H 33 8.340 8.340 7.958 0.382 25135 3705 1 5 . 1 1 34 34 ARG N N 34 121.900 121.900 119.021 2.879 25135 3706 1 5 . 1 1 34 34 ARG HA H 34 3.870 3.870 3.989 -0.119 25135 3707 1 5 . 1 1 34 34 ARG C C 34 179.600 179.600 178.510 1.090 25135 3708 1 5 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.451 0.049 25135 3709 1 5 . 1 1 34 34 ARG CB C 34 30.100 30.100 29.836 0.264 25135 3710 1 5 . 1 1 34 34 ARG H H 34 8.680 8.680 8.627 0.053 25135 3711 1 5 . 1 1 35 35 VAL N N 35 118.500 118.500 120.583 -2.083 25135 3712 1 5 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.492 -0.082 25135 3713 1 5 . 1 1 35 35 VAL C C 35 177.600 177.600 177.943 -0.343 25135 3714 1 5 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.158 1.642 25135 3715 1 5 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.150 0.150 25135 3716 1 5 . 1 1 35 35 VAL H H 35 8.500 8.500 8.020 0.480 25135 3717 1 5 . 1 1 36 36 LEU N N 36 118.300 118.300 119.174 -0.874 25135 3718 1 5 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.755 0.145 25135 3719 1 5 . 1 1 36 36 LEU C C 36 179.600 179.600 179.208 0.392 25135 3720 1 5 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.758 0.242 25135 3721 1 5 . 1 1 36 36 LEU CB C 36 41.400 41.400 40.915 0.485 25135 3722 1 5 . 1 1 36 36 LEU H H 36 7.890 7.890 8.757 -0.867 25135 3723 1 5 . 1 1 37 37 GLY N N 37 104.900 104.900 105.282 -0.382 25135 3724 1 5 . 1 1 37 37 GLY C C 37 175.700 175.700 175.324 0.376 25135 3725 1 5 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.882 -0.182 25135 3726 1 5 . 1 1 37 37 GLY H H 37 7.760 7.760 7.605 0.155 25135 3727 1 5 . 1 1 38 38 LEU N N 38 120.500 120.500 119.597 0.903 25135 3728 1 5 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.770 -0.180 25135 3729 1 5 . 1 1 38 38 LEU C C 38 176.900 176.900 178.424 -1.524 25135 3730 1 5 . 1 1 38 38 LEU CA C 38 56.500 56.500 56.131 0.369 25135 3731 1 5 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.188 -0.588 25135 3732 1 5 . 1 1 38 38 LEU H H 38 7.720 7.720 7.465 0.255 25135 3733 1 5 . 1 1 39 39 ILE N N 39 108.700 108.700 115.508 -6.808 25135 3734 1 5 . 1 1 39 39 ILE HA H 39 4.190 4.190 3.949 0.241 25135 3735 1 5 . 1 1 39 39 ILE C C 39 178.100 178.100 177.033 1.067 25135 3736 1 5 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.556 -0.856 25135 3737 1 5 . 1 1 39 39 ILE CB C 39 38.500 38.500 37.742 0.758 25135 3738 1 5 . 1 1 39 39 ILE H H 39 7.540 7.540 7.058 0.482 25135 3739 1 5 . 1 1 40 40 LYS N N 40 122.800 122.800 121.830 0.970 25135 3740 1 5 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.099 0.331 25135 3741 1 5 . 1 1 40 40 LYS CA C 40 60.700 60.700 60.217 0.483 25135 3742 1 5 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.448 -0.048 25135 3743 1 5 . 1 1 40 40 LYS H H 40 7.600 7.600 8.522 -0.922 25135 3744 1 5 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.367 0.063 25135 3745 1 5 . 1 1 41 41 PRO C C 41 178.700 178.700 179.202 -0.502 25135 3746 1 5 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.391 0.108 25135 3747 1 5 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.282 0.318 25135 3748 1 5 . 1 1 42 42 LEU N N 42 114.400 114.400 119.996 -5.596 25135 3749 1 5 . 1 1 42 42 LEU HA H 42 4.060 4.060 3.992 0.068 25135 3750 1 5 . 1 1 42 42 LEU C C 42 178.800 178.800 179.029 -0.229 25135 3751 1 5 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.790 -0.690 25135 3752 1 5 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.012 -0.712 25135 3753 1 5 . 1 1 42 42 LEU H H 42 7.200 7.200 7.486 -0.286 25135 3754 1 5 . 1 1 43 43 GLU N N 43 119.200 119.200 118.689 0.511 25135 3755 1 5 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.981 -0.061 25135 3756 1 5 . 1 1 43 43 GLU C C 43 179.100 179.100 178.877 0.223 25135 3757 1 5 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.671 -0.171 25135 3758 1 5 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.420 0.680 25135 3759 1 5 . 1 1 43 43 GLU H H 43 8.120 8.120 8.039 0.081 25135 3760 1 5 . 1 1 44 44 MET N N 44 116.500 116.500 116.315 0.185 25135 3761 1 5 . 1 1 44 44 MET HA H 44 4.310 4.310 4.295 0.015 25135 3762 1 5 . 1 1 44 44 MET C C 44 177.900 177.900 177.800 0.100 25135 3763 1 5 . 1 1 44 44 MET CA C 44 57.600 57.600 57.561 0.039 25135 3764 1 5 . 1 1 44 44 MET CB C 44 32.500 32.500 32.795 -0.295 25135 3765 1 5 . 1 1 44 44 MET H H 44 7.600 7.600 7.589 0.011 25135 3766 1 5 . 1 1 45 45 LEU N N 45 119.900 119.900 120.288 -0.388 25135 3767 1 5 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.269 -0.119 25135 3768 1 5 . 1 1 45 45 LEU C C 45 178.000 178.000 178.420 -0.420 25135 3769 1 5 . 1 1 45 45 LEU CA C 45 56.600 56.600 58.524 -1.924 25135 3770 1 5 . 1 1 45 45 LEU CB C 45 42.000 42.000 43.026 -1.026 25135 3771 1 5 . 1 1 45 45 LEU H H 45 7.620 7.620 7.960 -0.340 25135 3772 1 5 . 1 1 46 46 GLN N N 46 118.300 118.300 117.855 0.445 25135 3773 1 5 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.096 -0.076 25135 3774 1 5 . 1 1 46 46 GLN C C 46 176.500 176.500 177.963 -1.463 25135 3775 1 5 . 1 1 46 46 GLN CA C 46 57.700 57.700 58.020 -0.320 25135 3776 1 5 . 1 1 46 46 GLN CB C 46 29.500 29.500 28.253 1.247 25135 3777 1 5 . 1 1 46 46 GLN H H 46 7.950 7.950 8.409 -0.459 25135 3778 1 5 . 1 1 47 47 ASP N N 47 119.000 119.000 120.158 -1.158 25135 3779 1 5 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.303 0.267 25135 3780 1 5 . 1 1 47 47 ASP C C 47 176.900 176.900 178.546 -1.646 25135 3781 1 5 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.966 -1.666 25135 3782 1 5 . 1 1 47 47 ASP CB C 47 41.300 41.300 41.055 0.245 25135 3783 1 5 . 1 1 47 47 ASP H H 47 7.890 7.890 7.733 0.157 25135 3784 1 5 . 1 1 48 48 GLN N N 48 119.500 119.500 117.720 1.780 25135 3785 1 5 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.129 0.101 25135 3786 1 5 . 1 1 48 48 GLN C C 48 177.200 177.200 177.049 0.151 25135 3787 1 5 . 1 1 48 48 GLN CA C 48 56.700 56.700 56.489 0.211 25135 3788 1 5 . 1 1 48 48 GLN CB C 48 29.300 29.300 28.921 0.379 25135 3789 1 5 . 1 1 48 48 GLN H H 48 8.080 8.080 7.631 0.449 25135 3790 1 5 . 1 1 49 49 GLY N N 49 108.100 108.100 108.853 -0.753 25135 3791 1 5 . 1 1 49 49 GLY C C 49 174.300 174.300 173.856 0.444 25135 3792 1 5 . 1 1 49 49 GLY CA C 49 46.000 46.000 45.194 0.806 25135 3793 1 5 . 1 1 49 49 GLY H H 49 8.270 8.270 7.443 0.827 25135 3794 1 5 . 1 1 50 50 LYS N N 50 120.200 120.200 120.873 -0.673 25135 3795 1 5 . 1 1 50 50 LYS HA H 50 4.320 4.320 4.264 0.056 25135 3796 1 5 . 1 1 50 50 LYS C C 50 176.400 176.400 175.585 0.815 25135 3797 1 5 . 1 1 50 50 LYS CA C 50 56.500 56.500 56.833 -0.333 25135 3798 1 5 . 1 1 50 50 LYS CB C 50 32.900 32.900 33.672 -0.772 25135 3799 1 5 . 1 1 50 50 LYS H H 50 8.130 8.130 8.549 -0.419 25135 3800 1 5 . 1 1 51 51 ARG N N 51 121.300 121.300 119.411 1.889 25135 3801 1 5 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.508 -0.048 25135 3802 1 5 . 1 1 51 51 ARG C C 51 176.100 176.100 173.875 2.225 25135 3803 1 5 . 1 1 51 51 ARG CA C 51 56.000 56.000 56.243 -0.243 25135 3804 1 5 . 1 1 51 51 ARG CB C 51 31.200 31.200 31.517 -0.317 25135 3805 1 5 . 1 1 51 51 ARG H H 51 8.260 8.260 8.049 0.211 25135 3806 1 5 . 1 1 52 52 SER N N 52 116.900 116.900 119.374 -2.474 25135 3807 1 5 . 1 1 52 52 SER HA H 52 4.550 4.550 4.534 0.016 25135 3808 1 5 . 1 1 52 52 SER C C 52 173.900 173.900 172.441 1.459 25135 3809 1 5 . 1 1 52 52 SER CA C 52 57.800 57.800 58.687 -0.887 25135 3810 1 5 . 1 1 52 52 SER CB C 52 64.300 64.300 64.306 -0.006 25135 3811 1 5 . 1 1 52 52 SER H H 52 8.150 8.150 8.687 -0.537 25135 3812 1 5 . 1 1 53 53 VAL N N 53 124.300 124.300 128.350 -4.050 25135 3813 1 5 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.419 -0.129 25135 3814 1 5 . 1 1 53 53 VAL CA C 53 60.400 60.400 58.939 1.461 25135 3815 1 5 . 1 1 53 53 VAL CB C 53 32.500 32.500 33.120 -0.620 25135 3816 1 5 . 1 1 53 53 VAL H H 53 8.420 8.420 8.497 -0.077 25135 3817 1 5 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.467 0.023 25135 3818 1 5 . 1 1 54 54 PRO C C 54 176.600 176.600 175.824 0.776 25135 3819 1 5 . 1 1 54 54 PRO CA C 54 62.500 62.500 63.291 -0.791 25135 3820 1 5 . 1 1 54 54 PRO CB C 54 32.600 32.600 30.921 1.679 25135 3821 1 5 . 1 1 55 55 SER N N 55 119.500 119.500 118.866 0.634 25135 3822 1 5 . 1 1 55 55 SER HA H 55 4.370 4.370 4.528 -0.158 25135 3823 1 5 . 1 1 55 55 SER C C 55 175.500 175.500 175.882 -0.382 25135 3824 1 5 . 1 1 55 55 SER CA C 55 58.200 58.200 57.142 1.058 25135 3825 1 5 . 1 1 55 55 SER CB C 55 64.200 64.200 65.297 -1.097 25135 3826 1 5 . 1 1 55 55 SER H H 55 8.970 8.970 8.035 0.935 25135 3827 1 5 . 1 1 56 56 GLU N N 56 123.000 123.000 126.480 -3.480 25135 3828 1 5 . 1 1 56 56 GLU HA H 56 4.140 4.140 3.973 0.167 25135 3829 1 5 . 1 1 56 56 GLU C C 56 179.300 179.300 178.163 1.137 25135 3830 1 5 . 1 1 56 56 GLU CA C 56 59.700 59.700 60.341 -0.641 25135 3831 1 5 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.714 -0.514 25135 3832 1 5 . 1 1 56 56 GLU H H 56 9.030 9.030 9.102 -0.072 25135 3833 1 5 . 1 1 57 57 LYS N N 57 118.900 118.900 118.518 0.382 25135 3834 1 5 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.118 -0.118 25135 3835 1 5 . 1 1 57 57 LYS C C 57 179.400 179.400 178.485 0.915 25135 3836 1 5 . 1 1 57 57 LYS CA C 57 59.600 59.600 59.117 0.483 25135 3837 1 5 . 1 1 57 57 LYS CB C 57 32.700 32.700 31.772 0.928 25135 3838 1 5 . 1 1 57 57 LYS H H 57 8.150 8.150 8.276 -0.126 25135 3839 1 5 . 1 1 58 58 LEU N N 58 122.800 122.800 120.691 2.109 25135 3840 1 5 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.062 0.038 25135 3841 1 5 . 1 1 58 58 LEU C C 58 178.200 178.200 178.389 -0.189 25135 3842 1 5 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.194 0.105 25135 3843 1 5 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.444 -0.944 25135 3844 1 5 . 1 1 58 58 LEU H H 58 8.420 8.420 7.860 0.560 25135 3845 1 5 . 1 1 59 59 THR N N 59 117.800 117.800 113.113 4.687 25135 3846 1 5 . 1 1 59 59 THR HA H 59 3.730 3.730 4.003 -0.273 25135 3847 1 5 . 1 1 59 59 THR C C 59 176.800 176.800 176.456 0.344 25135 3848 1 5 . 1 1 59 59 THR CA C 59 67.500 67.500 66.730 0.770 25135 3849 1 5 . 1 1 59 59 THR CB C 59 68.400 68.400 68.361 0.039 25135 3850 1 5 . 1 1 59 59 THR H H 59 8.600 8.600 8.344 0.256 25135 3851 1 5 . 1 1 60 60 THR N N 60 118.300 118.300 117.562 0.738 25135 3852 1 5 . 1 1 60 60 THR HA H 60 3.980 3.980 4.019 -0.039 25135 3853 1 5 . 1 1 60 60 THR C C 60 176.400 176.400 175.847 0.553 25135 3854 1 5 . 1 1 60 60 THR CA C 60 66.900 66.900 66.836 0.064 25135 3855 1 5 . 1 1 60 60 THR CB C 60 68.400 68.400 68.723 -0.323 25135 3856 1 5 . 1 1 60 60 THR H H 60 8.390 8.390 7.566 0.824 25135 3857 1 5 . 1 1 61 61 ALA N N 61 124.900 124.900 124.420 0.480 25135 3858 1 5 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.192 -0.072 25135 3859 1 5 . 1 1 61 61 ALA C C 61 180.000 180.000 179.622 0.378 25135 3860 1 5 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.312 0.488 25135 3861 1 5 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.218 0.582 25135 3862 1 5 . 1 1 61 61 ALA H H 61 8.090 8.090 7.736 0.354 25135 3863 1 5 . 1 1 62 62 MET N N 62 118.300 118.300 117.655 0.645 25135 3864 1 5 . 1 1 62 62 MET HA H 62 4.110 4.110 4.236 -0.126 25135 3865 1 5 . 1 1 62 62 MET C C 62 178.300 178.300 178.735 -0.435 25135 3866 1 5 . 1 1 62 62 MET CA C 62 59.600 59.600 59.779 -0.179 25135 3867 1 5 . 1 1 62 62 MET CB C 62 32.500 32.500 32.236 0.264 25135 3868 1 5 . 1 1 62 62 MET H H 62 8.820 8.820 8.584 0.236 25135 3869 1 5 . 1 1 63 63 ASN N N 63 119.500 119.500 118.535 0.965 25135 3870 1 5 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.521 0.059 25135 3871 1 5 . 1 1 63 63 ASN C C 63 179.000 179.000 177.857 1.143 25135 3872 1 5 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.711 -0.411 25135 3873 1 5 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.311 -0.611 25135 3874 1 5 . 1 1 63 63 ASN H H 63 8.320 8.320 8.801 -0.481 25135 3875 1 5 . 1 1 64 64 ARG N N 64 122.500 122.500 120.478 2.022 25135 3876 1 5 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.162 0.028 25135 3877 1 5 . 1 1 64 64 ARG C C 64 179.300 179.300 179.078 0.222 25135 3878 1 5 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.399 0.301 25135 3879 1 5 . 1 1 64 64 ARG CB C 64 30.700 30.700 30.073 0.627 25135 3880 1 5 . 1 1 64 64 ARG H H 64 8.560 8.560 8.035 0.525 25135 3881 1 5 . 1 1 65 65 PHE N N 65 123.100 123.100 122.373 0.727 25135 3882 1 5 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.310 0.160 25135 3883 1 5 . 1 1 65 65 PHE C C 65 176.400 176.400 176.973 -0.573 25135 3884 1 5 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.485 1.115 25135 3885 1 5 . 1 1 65 65 PHE CB C 65 39.400 39.400 38.964 0.436 25135 3886 1 5 . 1 1 65 65 PHE H H 65 8.560 8.560 8.842 -0.282 25135 3887 1 5 . 1 1 66 66 LYS N N 66 119.800 119.800 119.624 0.176 25135 3888 1 5 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.776 -0.156 25135 3889 1 5 . 1 1 66 66 LYS C C 66 177.600 177.600 178.798 -1.198 25135 3890 1 5 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.655 1.045 25135 3891 1 5 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.320 0.180 25135 3892 1 5 . 1 1 66 66 LYS H H 66 8.610 8.610 8.897 -0.287 25135 3893 1 5 . 1 1 67 67 ALA N N 67 119.000 119.000 121.227 -2.227 25135 3894 1 5 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.141 0.089 25135 3895 1 5 . 1 1 67 67 ALA C C 67 180.400 180.400 179.163 1.237 25135 3896 1 5 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.668 0.332 25135 3897 1 5 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.573 -0.573 25135 3898 1 5 . 1 1 67 67 ALA H H 67 8.000 8.000 8.311 -0.311 25135 3899 1 5 . 1 1 68 68 ALA N N 68 122.200 122.200 121.983 0.217 25135 3900 1 5 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.090 0.100 25135 3901 1 5 . 1 1 68 68 ALA C C 68 179.800 179.800 179.792 0.008 25135 3902 1 5 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.885 0.315 25135 3903 1 5 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.312 -0.512 25135 3904 1 5 . 1 1 68 68 ALA H H 68 7.950 7.950 8.408 -0.458 25135 3905 1 5 . 1 1 69 69 LEU N N 69 118.900 118.900 119.227 -0.327 25135 3906 1 5 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.807 0.043 25135 3907 1 5 . 1 1 69 69 LEU C C 69 179.200 179.200 178.980 0.220 25135 3908 1 5 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.264 -0.764 25135 3909 1 5 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.527 -0.127 25135 3910 1 5 . 1 1 69 69 LEU H H 69 8.020 8.020 8.464 -0.444 25135 3911 1 5 . 1 1 70 70 GLU N N 70 120.500 120.500 118.142 2.358 25135 3912 1 5 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.851 0.089 25135 3913 1 5 . 1 1 70 70 GLU C C 70 180.500 180.500 179.011 1.489 25135 3914 1 5 . 1 1 70 70 GLU CA C 70 59.900 59.900 59.984 -0.084 25135 3915 1 5 . 1 1 70 70 GLU CB C 70 29.200 29.200 29.100 0.100 25135 3916 1 5 . 1 1 70 70 GLU H H 70 8.590 8.590 7.813 0.777 25135 3917 1 5 . 1 1 71 71 GLU N N 71 122.200 122.200 118.727 3.473 25135 3918 1 5 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.114 -0.044 25135 3919 1 5 . 1 1 71 71 GLU C C 71 179.600 179.600 178.712 0.888 25135 3920 1 5 . 1 1 71 71 GLU CA C 71 59.400 59.400 59.122 0.278 25135 3921 1 5 . 1 1 71 71 GLU CB C 71 29.400 29.400 28.511 0.889 25135 3922 1 5 . 1 1 71 71 GLU H H 71 8.300 8.300 7.574 0.726 25135 3923 1 5 . 1 1 72 72 ALA N N 72 122.800 122.800 123.052 -0.252 25135 3924 1 5 . 1 1 72 72 ALA HA H 72 3.890 3.890 4.078 -0.188 25135 3925 1 5 . 1 1 72 72 ALA C C 72 178.500 178.500 179.972 -1.472 25135 3926 1 5 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.163 0.537 25135 3927 1 5 . 1 1 72 72 ALA CB C 72 17.200 17.200 18.056 -0.856 25135 3928 1 5 . 1 1 72 72 ALA H H 72 8.330 8.330 7.677 0.653 25135 3929 1 5 . 1 1 73 73 ASN N N 73 115.700 115.700 117.617 -1.917 25135 3930 1 5 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.337 0.113 25135 3931 1 5 . 1 1 73 73 ASN C C 73 177.600 177.600 177.960 -0.360 25135 3932 1 5 . 1 1 73 73 ASN CA C 73 56.300 56.300 56.200 0.100 25135 3933 1 5 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.118 0.782 25135 3934 1 5 . 1 1 73 73 ASN H H 73 8.460 8.460 8.764 -0.304 25135 3935 1 5 . 1 1 74 74 GLY N N 74 105.500 105.500 108.103 -2.603 25135 3936 1 5 . 1 1 74 74 GLY C C 74 177.100 177.100 176.444 0.656 25135 3937 1 5 . 1 1 74 74 GLY CA C 74 47.000 47.000 47.009 -0.009 25135 3938 1 5 . 1 1 74 74 GLY H H 74 8.070 8.070 8.702 -0.632 25135 3939 1 5 . 1 1 75 75 GLU N N 75 123.500 123.500 122.810 0.690 25135 3940 1 5 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.966 0.144 25135 3941 1 5 . 1 1 75 75 GLU C C 75 178.500 178.500 179.356 -0.856 25135 3942 1 5 . 1 1 75 75 GLU CA C 75 58.700 58.700 59.300 -0.600 25135 3943 1 5 . 1 1 75 75 GLU CB C 75 29.900 29.900 29.636 0.264 25135 3944 1 5 . 1 1 75 75 GLU H H 75 8.110 8.110 8.241 -0.131 25135 3945 1 5 . 1 1 76 76 ILE N N 76 120.300 120.300 118.971 1.329 25135 3946 1 5 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.847 -0.027 25135 3947 1 5 . 1 1 76 76 ILE C C 76 178.300 178.300 177.241 1.059 25135 3948 1 5 . 1 1 76 76 ILE CA C 76 65.500 65.500 65.180 0.320 25135 3949 1 5 . 1 1 76 76 ILE CB C 76 37.900 37.900 38.176 -0.276 25135 3950 1 5 . 1 1 76 76 ILE H H 76 8.330 8.330 8.518 -0.188 25135 3951 1 5 . 1 1 77 77 GLU N N 77 119.400 119.400 118.561 0.839 25135 3952 1 5 . 1 1 77 77 GLU HA H 77 3.920 3.920 4.061 -0.141 25135 3953 1 5 . 1 1 77 77 GLU C C 77 180.200 180.200 179.416 0.784 25135 3954 1 5 . 1 1 77 77 GLU CA C 77 59.700 59.700 58.800 0.900 25135 3955 1 5 . 1 1 77 77 GLU CB C 77 29.300 29.300 30.052 -0.752 25135 3956 1 5 . 1 1 77 77 GLU H H 77 7.860 7.860 8.037 -0.177 25135 3957 1 5 . 1 1 78 78 LYS N N 78 121.600 121.600 119.667 1.933 25135 3958 1 5 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.013 -0.113 25135 3959 1 5 . 1 1 78 78 LYS C C 78 179.200 179.200 178.291 0.909 25135 3960 1 5 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.393 1.507 25135 3961 1 5 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.311 -0.011 25135 3962 1 5 . 1 1 78 78 LYS H H 78 7.760 7.760 8.370 -0.610 25135 3963 1 5 . 1 1 79 79 PHE N N 79 115.900 115.900 116.547 -0.647 25135 3964 1 5 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.691 -0.011 25135 3965 1 5 . 1 1 79 79 PHE C C 79 174.100 174.100 175.772 -1.672 25135 3966 1 5 . 1 1 79 79 PHE CA C 79 58.200 58.200 57.003 1.197 25135 3967 1 5 . 1 1 79 79 PHE CB C 79 36.900 36.900 38.402 -1.502 25135 3968 1 5 . 1 1 79 79 PHE H H 79 8.170 8.170 7.653 0.517 25135 3969 1 5 . 1 1 80 80 SER N N 80 113.300 113.300 114.433 -1.133 25135 3970 1 5 . 1 1 80 80 SER HA H 80 4.500 4.500 4.436 0.064 25135 3971 1 5 . 1 1 80 80 SER C C 80 173.700 173.700 174.458 -0.758 25135 3972 1 5 . 1 1 80 80 SER CA C 80 60.500 60.500 60.784 -0.284 25135 3973 1 5 . 1 1 80 80 SER CB C 80 63.400 63.400 64.191 -0.790 25135 3974 1 5 . 1 1 80 80 SER H H 80 7.700 7.700 7.521 0.179 25135 3975 1 5 . 1 1 81 81 ASN N N 81 119.500 119.500 118.864 0.636 25135 3976 1 5 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.768 0.202 25135 3977 1 5 . 1 1 81 81 ASN CA C 81 52.100 52.100 52.633 -0.533 25135 3978 1 5 . 1 1 81 81 ASN CB C 81 40.300 40.300 39.432 0.868 25135 3979 1 5 . 1 1 81 81 ASN H H 81 7.290 7.290 7.840 -0.550 25135 3980 1 5 . 1 1 82 82 ARG N N 82 127.400 127.400 126.823 0.577 25135 3981 1 5 . 1 1 82 82 ARG HA H 82 3.590 3.590 3.114 0.476 25135 3982 1 5 . 1 1 82 82 ARG C C 82 177.700 177.700 177.266 0.434 25135 3983 1 5 . 1 1 82 82 ARG CA C 82 59.800 59.800 59.620 0.180 25135 3984 1 5 . 1 1 82 82 ARG CB C 82 30.100 30.100 29.820 0.280 25135 3985 1 5 . 1 1 82 82 ARG H H 82 9.050 9.050 8.703 0.347 25135 3986 1 5 . 1 1 83 83 SER N N 83 114.600 114.600 113.280 1.320 25135 3987 1 5 . 1 1 83 83 SER HA H 83 3.930 3.930 4.211 -0.281 25135 3988 1 5 . 1 1 83 83 SER C C 83 177.100 177.100 175.976 1.124 25135 3989 1 5 . 1 1 83 83 SER CA C 83 62.200 62.200 61.125 1.075 25135 3990 1 5 . 1 1 83 83 SER CB C 83 62.000 62.000 62.578 -0.578 25135 3991 1 5 . 1 1 83 83 SER H H 83 8.390 8.390 8.500 -0.110 25135 3992 1 5 . 1 1 84 84 ASN N N 84 119.700 119.700 118.222 1.478 25135 3993 1 5 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.781 -0.181 25135 3994 1 5 . 1 1 84 84 ASN C C 84 179.100 179.100 177.311 1.789 25135 3995 1 5 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.297 0.103 25135 3996 1 5 . 1 1 84 84 ASN CB C 84 37.600 37.600 39.123 -1.523 25135 3997 1 5 . 1 1 84 84 ASN H H 84 7.980 7.980 7.908 0.072 25135 3998 1 5 . 1 1 85 85 ILE N N 85 122.100 122.100 122.255 -0.155 25135 3999 1 5 . 1 1 85 85 ILE HA H 85 3.820 3.820 4.213 -0.393 25135 4000 1 5 . 1 1 85 85 ILE C C 85 176.900 176.900 177.511 -0.611 25135 4001 1 5 . 1 1 85 85 ILE CA C 85 64.700 64.700 64.353 0.346 25135 4002 1 5 . 1 1 85 85 ILE CB C 85 37.400 37.400 37.283 0.117 25135 4003 1 5 . 1 1 85 85 ILE H H 85 7.760 7.760 7.860 -0.100 25135 4004 1 5 . 1 1 86 86 CYS N N 86 119.200 119.200 116.973 2.227 25135 4005 1 5 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.831 0.109 25135 4006 1 5 . 1 1 86 86 CYS C C 86 177.400 177.400 176.789 0.611 25135 4007 1 5 . 1 1 86 86 CYS CA C 86 63.800 63.800 62.908 0.892 25135 4008 1 5 . 1 1 86 86 CYS CB C 86 26.900 26.900 26.480 0.420 25135 4009 1 5 . 1 1 86 86 CYS H H 86 8.330 8.330 8.290 0.040 25135 4010 1 5 . 1 1 87 87 ARG N N 87 119.200 119.200 120.150 -0.950 25135 4011 1 5 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.281 -0.261 25135 4012 1 5 . 1 1 87 87 ARG C C 87 178.500 178.500 177.928 0.572 25135 4013 1 5 . 1 1 87 87 ARG CA C 87 59.500 59.500 58.599 0.902 25135 4014 1 5 . 1 1 87 87 ARG CB C 87 30.300 30.300 29.409 0.891 25135 4015 1 5 . 1 1 87 87 ARG H H 87 7.900 7.900 7.923 -0.023 25135 4016 1 5 . 1 1 88 88 PHE N N 88 120.300 120.300 120.524 -0.224 25135 4017 1 5 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.699 -0.479 25135 4018 1 5 . 1 1 88 88 PHE C C 88 177.200 177.200 176.310 0.890 25135 4019 1 5 . 1 1 88 88 PHE CA C 88 61.500 61.500 59.231 2.269 25135 4020 1 5 . 1 1 88 88 PHE CB C 88 39.800 39.800 39.716 0.084 25135 4021 1 5 . 1 1 88 88 PHE H H 88 7.760 7.760 8.079 -0.319 25135 4022 1 5 . 1 1 89 89 LEU N N 89 117.900 117.900 121.137 -3.237 25135 4023 1 5 . 1 1 89 89 LEU HA H 89 3.640 3.640 3.278 0.362 25135 4024 1 5 . 1 1 89 89 LEU C C 89 178.700 178.700 178.483 0.217 25135 4025 1 5 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.389 0.011 25135 4026 1 5 . 1 1 89 89 LEU CB C 89 41.600 41.600 40.857 0.743 25135 4027 1 5 . 1 1 89 89 LEU H H 89 8.590 8.590 7.973 0.617 25135 4028 1 5 . 1 1 90 90 THR N N 90 112.000 112.000 111.288 0.712 25135 4029 1 5 . 1 1 90 90 THR HA H 90 3.980 3.980 4.140 -0.160 25135 4030 1 5 . 1 1 90 90 THR C C 90 174.900 174.900 175.375 -0.475 25135 4031 1 5 . 1 1 90 90 THR CA C 90 65.200 65.200 64.523 0.677 25135 4032 1 5 . 1 1 90 90 THR CB C 90 69.300 69.300 69.112 0.188 25135 4033 1 5 . 1 1 90 90 THR H H 90 7.690 7.690 7.687 0.003 25135 4034 1 5 . 1 1 91 91 ALA N N 91 122.400 122.400 121.450 0.950 25135 4035 1 5 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.496 -0.226 25135 4036 1 5 . 1 1 91 91 ALA C C 91 177.500 177.500 177.149 0.351 25135 4037 1 5 . 1 1 91 91 ALA CA C 91 53.000 53.000 51.922 1.078 25135 4038 1 5 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.971 0.029 25135 4039 1 5 . 1 1 91 91 ALA H H 91 7.220 7.220 7.428 -0.208 25135 4040 1 5 . 1 1 92 92 SER N N 92 112.900 112.900 113.282 -0.382 25135 4041 1 5 . 1 1 92 92 SER HA H 92 4.130 4.130 4.311 -0.181 25135 4042 1 5 . 1 1 92 92 SER CA C 92 57.600 57.600 58.807 -1.207 25135 4043 1 5 . 1 1 92 92 SER CB C 92 64.000 64.000 61.607 2.393 25135 4044 1 5 . 1 1 92 92 SER H H 92 7.510 7.510 8.012 -0.502 25135 4045 1 5 . 1 1 93 93 GLN N N 93 125.700 125.700 121.634 4.066 25135 4046 1 5 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.223 -0.023 25135 4047 1 5 . 1 1 93 93 GLN C C 93 176.700 176.700 176.681 0.019 25135 4048 1 5 . 1 1 93 93 GLN CA C 93 57.700 57.700 58.941 -1.241 25135 4049 1 5 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.443 -0.443 25135 4050 1 5 . 1 1 93 93 GLN H H 93 8.710 8.710 8.347 0.363 25135 4051 1 5 . 1 1 94 94 ASP N N 94 116.400 116.400 114.241 2.159 25135 4052 1 5 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.805 -0.245 25135 4053 1 5 . 1 1 94 94 ASP CA C 94 54.000 54.000 53.938 0.062 25135 4054 1 5 . 1 1 94 94 ASP CB C 94 41.700 41.700 41.694 0.006 25135 4055 1 5 . 1 1 94 94 ASP H H 94 7.800 7.800 8.485 -0.685 25135 4056 1 5 . 1 1 95 95 LYS N N 95 114.300 114.300 115.512 -1.212 25135 4057 1 5 . 1 1 95 95 LYS H H 95 8.290 8.290 8.512 -0.222 25135 4058 1 5 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.485 -0.165 25135 4059 1 5 . 1 1 96 96 ILE C C 96 177.000 177.000 176.479 0.521 25135 4060 1 5 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.702 1.098 25135 4061 1 5 . 1 1 96 96 ILE CB C 96 38.100 38.100 40.157 -2.058 25135 4062 1 5 . 1 1 97 97 LEU N N 97 131.100 131.100 127.546 3.554 25135 4063 1 5 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.055 0.065 25135 4064 1 5 . 1 1 97 97 LEU C C 97 177.200 177.200 176.878 0.322 25135 4065 1 5 . 1 1 97 97 LEU CA C 97 58.000 58.000 57.666 0.334 25135 4066 1 5 . 1 1 97 97 LEU CB C 97 42.900 42.900 42.068 0.832 25135 4067 1 5 . 1 1 97 97 LEU H H 97 8.620 8.620 9.160 -0.540 25135 4068 1 5 . 1 1 98 98 PHE N N 98 113.600 113.600 109.499 4.101 25135 4069 1 5 . 1 1 98 98 PHE HA H 98 5.100 5.100 4.951 0.149 25135 4070 1 5 . 1 1 98 98 PHE C C 98 175.400 175.400 174.863 0.537 25135 4071 1 5 . 1 1 98 98 PHE CA C 98 55.700 55.700 55.193 0.507 25135 4072 1 5 . 1 1 98 98 PHE CB C 98 37.600 37.600 38.063 -0.463 25135 4073 1 5 . 1 1 98 98 PHE H H 98 8.450 8.450 7.667 0.783 25135 4074 1 5 . 1 1 99 99 LYS N N 99 119.500 119.500 123.726 -4.226 25135 4075 1 5 . 1 1 99 99 LYS HA H 99 3.880 3.880 3.725 0.155 25135 4076 1 5 . 1 1 99 99 LYS C C 99 178.900 178.900 177.719 1.181 25135 4077 1 5 . 1 1 99 99 LYS CA C 99 61.100 61.100 60.831 0.269 25135 4078 1 5 . 1 1 99 99 LYS CB C 99 33.500 33.500 32.055 1.445 25135 4079 1 5 . 1 1 99 99 LYS H H 99 6.790 6.790 7.340 -0.550 25135 4080 1 5 . 1 1 100 100 ASP N N 100 117.800 117.800 117.792 0.008 25135 4081 1 5 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.404 0.206 25135 4082 1 5 . 1 1 100 100 ASP C C 100 179.000 179.000 178.582 0.418 25135 4083 1 5 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.096 0.704 25135 4084 1 5 . 1 1 100 100 ASP CB C 100 40.400 40.400 40.259 0.141 25135 4085 1 5 . 1 1 100 100 ASP H H 100 8.520 8.520 8.641 -0.121 25135 4086 1 5 . 1 1 101 101 VAL N N 101 122.600 122.600 118.760 3.840 25135 4087 1 5 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.849 0.011 25135 4088 1 5 . 1 1 101 101 VAL C C 101 177.100 177.100 177.946 -0.846 25135 4089 1 5 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.598 -0.898 25135 4090 1 5 . 1 1 101 101 VAL CB C 101 32.300 32.300 32.053 0.247 25135 4091 1 5 . 1 1 101 101 VAL H H 101 8.210 8.210 7.215 0.995 25135 4092 1 5 . 1 1 102 102 ASN N N 102 121.000 121.000 118.153 2.847 25135 4093 1 5 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.802 -0.242 25135 4094 1 5 . 1 1 102 102 ASN C C 102 178.500 178.500 178.048 0.452 25135 4095 1 5 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.373 -0.173 25135 4096 1 5 . 1 1 102 102 ASN CB C 102 37.900 37.900 37.778 0.122 25135 4097 1 5 . 1 1 102 102 ASN H H 102 9.060 9.060 8.654 0.406 25135 4098 1 5 . 1 1 103 103 ARG N N 103 120.700 120.700 119.455 1.245 25135 4099 1 5 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.281 -0.121 25135 4100 1 5 . 1 1 103 103 ARG C C 103 177.900 177.900 178.108 -0.208 25135 4101 1 5 . 1 1 103 103 ARG CA C 103 59.100 59.100 59.320 -0.220 25135 4102 1 5 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.869 -0.969 25135 4103 1 5 . 1 1 103 103 ARG H H 103 7.640 7.640 8.505 -0.865 25135 4104 1 5 . 1 1 104 104 LYS N N 104 119.700 119.700 120.913 -1.213 25135 4105 1 5 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.246 -0.056 25135 4106 1 5 . 1 1 104 104 LYS C C 104 179.300 179.300 178.682 0.618 25135 4107 1 5 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.422 0.678 25135 4108 1 5 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.630 -0.130 25135 4109 1 5 . 1 1 104 104 LYS H H 104 7.960 7.960 7.954 0.006 25135 4110 1 5 . 1 1 105 105 LEU N N 105 118.200 118.200 121.389 -3.189 25135 4111 1 5 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.228 -0.188 25135 4112 1 5 . 1 1 105 105 LEU C C 105 178.400 178.400 178.493 -0.093 25135 4113 1 5 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.265 0.235 25135 4114 1 5 . 1 1 105 105 LEU CB C 105 42.500 42.500 42.105 0.395 25135 4115 1 5 . 1 1 105 105 LEU H H 105 8.990 8.990 9.127 -0.137 25135 4116 1 5 . 1 1 106 106 SER N N 106 111.700 111.700 114.107 -2.407 25135 4117 1 5 . 1 1 106 106 SER HA H 106 3.870 3.870 4.499 -0.629 25135 4118 1 5 . 1 1 106 106 SER C C 106 177.500 177.500 176.900 0.600 25135 4119 1 5 . 1 1 106 106 SER CA C 106 61.400 61.400 61.974 -0.574 25135 4120 1 5 . 1 1 106 106 SER CB C 106 62.600 62.600 62.248 0.352 25135 4121 1 5 . 1 1 106 106 SER H H 106 7.980 7.980 7.920 0.060 25135 4122 1 5 . 1 1 107 107 ASP N N 107 122.000 122.000 122.703 -0.703 25135 4123 1 5 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.372 0.068 25135 4124 1 5 . 1 1 107 107 ASP C C 107 179.700 179.700 178.482 1.218 25135 4125 1 5 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.575 0.325 25135 4126 1 5 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.784 -0.184 25135 4127 1 5 . 1 1 107 107 ASP H H 107 8.500 8.500 7.610 0.890 25135 4128 1 5 . 1 1 108 108 VAL N N 108 119.200 119.200 119.023 0.177 25135 4129 1 5 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.792 0.218 25135 4130 1 5 . 1 1 108 108 VAL C C 108 178.400 178.400 177.469 0.931 25135 4131 1 5 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.500 -0.900 25135 4132 1 5 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.340 0.160 25135 4133 1 5 . 1 1 108 108 VAL H H 108 8.830 8.830 7.670 1.160 25135 4134 1 5 . 1 1 109 109 TRP N N 109 121.900 121.900 121.152 0.748 25135 4135 1 5 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.912 0.358 25135 4136 1 5 . 1 1 109 109 TRP C C 109 178.000 178.000 178.032 -0.032 25135 4137 1 5 . 1 1 109 109 TRP CA C 109 60.100 60.100 59.791 0.309 25135 4138 1 5 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.513 0.187 25135 4139 1 5 . 1 1 109 109 TRP H H 109 8.710 8.710 7.762 0.948 25135 4140 1 5 . 1 1 110 110 LYS N N 110 119.500 119.500 118.234 1.266 25135 4141 1 5 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.715 -0.085 25135 4142 1 5 . 1 1 110 110 LYS C C 110 178.000 178.000 179.113 -1.113 25135 4143 1 5 . 1 1 110 110 LYS CA C 110 60.500 60.500 59.813 0.687 25135 4144 1 5 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.041 0.159 25135 4145 1 5 . 1 1 110 110 LYS H H 110 8.010 8.010 7.799 0.211 25135 4146 1 5 . 1 1 111 111 GLU N N 111 116.700 116.700 118.094 -1.394 25135 4147 1 5 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.118 -0.108 25135 4148 1 5 . 1 1 111 111 GLU C C 111 178.400 178.400 178.590 -0.190 25135 4149 1 5 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.171 0.629 25135 4150 1 5 . 1 1 111 111 GLU CB C 111 30.400 30.400 30.004 0.396 25135 4151 1 5 . 1 1 111 111 GLU H H 111 7.000 7.000 7.603 -0.603 25135 4152 1 5 . 1 1 112 112 LEU N N 112 119.000 119.000 121.426 -2.426 25135 4153 1 5 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.174 -0.434 25135 4154 1 5 . 1 1 112 112 LEU C C 112 177.600 177.600 177.583 0.017 25135 4155 1 5 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.119 0.681 25135 4156 1 5 . 1 1 112 112 LEU CB C 112 42.200 42.200 42.025 0.175 25135 4157 1 5 . 1 1 112 112 LEU H H 112 8.380 8.380 8.176 0.204 25135 4158 1 5 . 1 1 113 113 SER N N 113 113.100 113.100 114.896 -1.796 25135 4159 1 5 . 1 1 113 113 SER HA H 113 3.190 3.190 3.545 -0.355 25135 4160 1 5 . 1 1 113 113 SER C C 113 176.300 176.300 175.991 0.309 25135 4161 1 5 . 1 1 113 113 SER CA C 113 61.600 61.600 61.230 0.370 25135 4162 1 5 . 1 1 113 113 SER CB C 113 61.800 61.800 62.112 -0.312 25135 4163 1 5 . 1 1 113 113 SER H H 113 8.490 8.490 8.048 0.442 25135 4164 1 5 . 1 1 114 114 LEU N N 114 121.500 121.500 121.286 0.214 25135 4165 1 5 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.047 -0.027 25135 4166 1 5 . 1 1 114 114 LEU C C 114 179.100 179.100 177.366 1.734 25135 4167 1 5 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.099 0.901 25135 4168 1 5 . 1 1 114 114 LEU CB C 114 41.800 41.800 40.617 1.183 25135 4169 1 5 . 1 1 114 114 LEU H H 114 6.810 6.810 7.105 -0.295 25135 4170 1 5 . 1 1 115 115 LEU N N 115 118.200 118.200 118.794 -0.594 25135 4171 1 5 . 1 1 115 115 LEU HA H 115 4.060 4.060 3.955 0.105 25135 4172 1 5 . 1 1 115 115 LEU C C 115 179.600 179.600 179.223 0.377 25135 4173 1 5 . 1 1 115 115 LEU CA C 115 57.700 57.700 57.095 0.605 25135 4174 1 5 . 1 1 115 115 LEU CB C 115 43.100 43.100 41.918 1.182 25135 4175 1 5 . 1 1 115 115 LEU H H 115 7.270 7.270 7.037 0.233 25135 4176 1 5 . 1 1 116 116 LEU N N 116 118.700 118.700 120.090 -1.390 25135 4177 1 5 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.811 0.039 25135 4178 1 5 . 1 1 116 116 LEU C C 116 179.300 179.300 179.402 -0.102 25135 4179 1 5 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.185 -0.585 25135 4180 1 5 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.685 -0.285 25135 4181 1 5 . 1 1 116 116 LEU H H 116 8.440 8.440 8.157 0.283 25135 4182 1 5 . 1 1 117 117 GLN N N 117 119.500 119.500 117.269 2.231 25135 4183 1 5 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.183 0.157 25135 4184 1 5 . 1 1 117 117 GLN C C 117 178.200 178.200 178.677 -0.477 25135 4185 1 5 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.915 -0.115 25135 4186 1 5 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.697 0.103 25135 4187 1 5 . 1 1 117 117 GLN H H 117 8.030 8.030 8.033 -0.003 25135 4188 1 5 . 1 1 118 118 VAL N N 118 117.600 117.600 119.036 -1.436 25135 4189 1 5 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.797 0.043 25135 4190 1 5 . 1 1 118 118 VAL C C 118 177.900 177.900 177.645 0.255 25135 4191 1 5 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.156 0.244 25135 4192 1 5 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.842 1.058 25135 4193 1 5 . 1 1 118 118 VAL H H 118 8.110 8.110 7.996 0.114 25135 4194 1 5 . 1 1 119 119 GLU N N 119 116.900 116.900 118.882 -1.982 25135 4195 1 5 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.064 0.246 25135 4196 1 5 . 1 1 119 119 GLU C C 119 177.700 177.700 178.810 -1.110 25135 4197 1 5 . 1 1 119 119 GLU CA C 119 58.400 58.400 59.095 -0.695 25135 4198 1 5 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.316 1.384 25135 4199 1 5 . 1 1 119 119 GLU H H 119 8.620 8.620 8.248 0.372 25135 4200 1 5 . 1 1 120 120 GLN N N 120 113.300 113.300 117.125 -3.825 25135 4201 1 5 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.339 0.111 25135 4202 1 5 . 1 1 120 120 GLN C C 120 174.700 174.700 176.441 -1.741 25135 4203 1 5 . 1 1 120 120 GLN CA C 120 54.500 54.500 55.742 -1.242 25135 4204 1 5 . 1 1 120 120 GLN CB C 120 28.600 28.600 29.792 -1.192 25135 4205 1 5 . 1 1 120 120 GLN H H 120 7.350 7.350 8.045 -0.695 25135 4206 1 5 . 1 1 121 121 ARG N N 121 114.800 114.800 115.789 -0.989 25135 4207 1 5 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.158 -0.038 25135 4208 1 5 . 1 1 121 121 ARG C C 121 175.600 175.600 175.682 -0.082 25135 4209 1 5 . 1 1 121 121 ARG CA C 121 56.600 56.600 57.138 -0.538 25135 4210 1 5 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.495 0.205 25135 4211 1 5 . 1 1 121 121 ARG H H 121 7.410 7.410 7.912 -0.502 25135 4212 1 5 . 1 1 122 122 MET N N 122 120.300 120.300 117.780 2.520 25135 4213 1 5 . 1 1 122 122 MET HA H 122 4.600 4.600 4.806 -0.206 25135 4214 1 5 . 1 1 122 122 MET CA C 122 53.700 53.700 53.526 0.173 25135 4215 1 5 . 1 1 122 122 MET CB C 122 34.700 34.700 32.459 2.241 25135 4216 1 5 . 1 1 122 122 MET H H 122 7.760 7.760 7.480 0.280 25135 4217 1 5 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.457 0.023 25135 4218 1 5 . 1 1 123 123 PRO C C 123 176.300 176.300 175.706 0.594 25135 4219 1 5 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.504 -0.704 25135 4220 1 5 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.733 -0.433 25135 4221 1 5 . 1 1 124 124 VAL N N 124 120.000 120.000 122.349 -2.349 25135 4222 1 5 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.452 -0.372 25135 4223 1 5 . 1 1 124 124 VAL C C 124 175.800 175.800 175.127 0.673 25135 4224 1 5 . 1 1 124 124 VAL CA C 124 61.700 61.700 60.763 0.937 25135 4225 1 5 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.346 -1.246 25135 4226 1 5 . 1 1 124 124 VAL H H 124 8.080 8.080 8.294 -0.214 25135 4227 1 5 . 1 1 125 125 SER N N 125 121.200 121.200 119.374 1.826 25135 4228 1 5 . 1 1 125 125 SER HA H 125 4.800 4.800 4.919 -0.119 25135 4229 1 5 . 1 1 125 125 SER CA C 125 56.200 56.200 55.528 0.672 25135 4230 1 5 . 1 1 125 125 SER CB C 125 63.700 63.700 64.143 -0.443 25135 4231 1 5 . 1 1 125 125 SER H H 125 8.380 8.380 8.280 0.100 25135 4232 1 5 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.364 0.116 25135 4233 1 5 . 1 1 126 126 PRO C C 126 177.100 177.100 177.017 0.083 25135 4234 1 5 . 1 1 126 126 PRO CA C 126 63.400 63.400 64.017 -0.618 25135 4235 1 5 . 1 1 126 126 PRO CB C 126 31.900 31.900 30.035 1.865 25135 4236 1 5 . 1 1 127 127 ILE N N 127 119.900 119.900 120.682 -0.782 25135 4237 1 5 . 1 1 127 127 ILE HA H 127 4.140 4.140 3.969 0.171 25135 4238 1 5 . 1 1 127 127 ILE C C 127 176.300 176.300 176.595 -0.295 25135 4239 1 5 . 1 1 127 127 ILE CA C 127 61.300 61.300 64.246 -2.946 25135 4240 1 5 . 1 1 127 127 ILE CB C 127 38.800 38.800 36.959 1.841 25135 4241 1 5 . 1 1 127 127 ILE H H 127 8.050 8.050 9.031 -0.981 25135 4242 1 5 . 1 1 128 128 SER N N 128 119.000 119.000 114.047 4.953 25135 4243 1 5 . 1 1 128 128 SER HA H 128 4.400 4.400 4.202 0.198 25135 4244 1 5 . 1 1 128 128 SER C C 128 174.600 174.600 173.197 1.403 25135 4245 1 5 . 1 1 128 128 SER CA C 128 58.300 58.300 59.927 -1.627 25135 4246 1 5 . 1 1 128 128 SER CB C 128 63.600 63.600 62.221 1.379 25135 4247 1 5 . 1 1 128 128 SER H H 128 8.230 8.230 8.636 -0.406 25135 4248 1 5 . 1 1 129 129 GLN N N 129 122.600 122.600 116.769 5.831 25135 4249 1 5 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.588 -0.358 25135 4250 1 5 . 1 1 129 129 GLN C C 129 176.200 176.200 175.711 0.489 25135 4251 1 5 . 1 1 129 129 GLN CA C 129 56.300 56.300 55.193 1.107 25135 4252 1 5 . 1 1 129 129 GLN CB C 129 29.100 29.100 30.011 -0.911 25135 4253 1 5 . 1 1 129 129 GLN H H 129 8.340 8.340 8.282 0.058 25135 4254 1 5 . 1 1 130 130 GLY N N 130 109.200 109.200 108.388 0.812 25135 4255 1 5 . 1 1 130 130 GLY C C 130 175.100 175.100 174.456 0.644 25135 4256 1 5 . 1 1 130 130 GLY CA C 130 45.200 45.200 45.575 -0.375 25135 4257 1 5 . 1 1 130 130 GLY H H 130 8.150 8.150 8.434 -0.284 25135 4258 1 5 . 1 1 131 131 ALA N N 131 124.700 124.700 123.708 0.992 25135 4259 1 5 . 1 1 131 131 ALA HA H 131 4.230 4.230 3.028 1.202 25135 4260 1 5 . 1 1 131 131 ALA C C 131 178.700 178.700 177.314 1.386 25135 4261 1 5 . 1 1 131 131 ALA CA C 131 53.800 53.800 51.631 2.169 25135 4262 1 5 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.445 0.456 25135 4263 1 5 . 1 1 131 131 ALA H H 131 8.070 8.070 8.361 -0.291 25135 4264 1 5 . 1 1 132 132 SER N N 132 113.200 113.200 114.847 -1.647 25135 4265 1 5 . 1 1 132 132 SER HA H 132 4.580 4.580 4.556 0.024 25135 4266 1 5 . 1 1 132 132 SER C C 132 175.700 175.700 175.061 0.639 25135 4267 1 5 . 1 1 132 132 SER CA C 132 58.500 58.500 58.460 0.040 25135 4268 1 5 . 1 1 132 132 SER CB C 132 63.800 63.800 62.410 1.390 25135 4269 1 5 . 1 1 132 132 SER H H 132 8.340 8.340 8.115 0.225 25135 4270 1 5 . 1 1 133 133 TRP N N 133 122.800 122.800 122.928 -0.128 25135 4271 1 5 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.303 0.227 25135 4272 1 5 . 1 1 133 133 TRP C C 133 178.200 178.200 177.820 0.380 25135 4273 1 5 . 1 1 133 133 TRP CA C 133 58.900 58.900 59.330 -0.430 25135 4274 1 5 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.360 1.840 25135 4275 1 5 . 1 1 133 133 TRP H H 133 8.380 8.380 7.226 1.154 25135 4276 1 5 . 1 1 134 134 ALA N N 134 120.600 120.600 120.182 0.418 25135 4277 1 5 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.879 0.371 25135 4278 1 5 . 1 1 134 134 ALA C C 134 180.700 180.700 179.596 1.104 25135 4279 1 5 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.361 0.339 25135 4280 1 5 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.888 0.112 25135 4281 1 5 . 1 1 134 134 ALA H H 134 8.420 8.420 8.559 -0.139 25135 4282 1 5 . 1 1 135 135 GLN N N 135 118.900 118.900 119.318 -0.418 25135 4283 1 5 . 1 1 135 135 GLN HA H 135 4.100 4.100 4.001 0.099 25135 4284 1 5 . 1 1 135 135 GLN C C 135 179.200 179.200 178.381 0.819 25135 4285 1 5 . 1 1 135 135 GLN CA C 135 59.000 59.000 58.680 0.320 25135 4286 1 5 . 1 1 135 135 GLN CB C 135 28.500 28.500 28.120 0.380 25135 4287 1 5 . 1 1 135 135 GLN H H 135 7.860 7.860 7.747 0.113 25135 4288 1 5 . 1 1 136 136 GLU N N 136 120.900 120.900 119.818 1.082 25135 4289 1 5 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.088 -0.268 25135 4290 1 5 . 1 1 136 136 GLU C C 136 177.800 177.800 178.935 -1.135 25135 4291 1 5 . 1 1 136 136 GLU CA C 136 59.000 59.000 59.189 -0.189 25135 4292 1 5 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.686 0.314 25135 4293 1 5 . 1 1 136 136 GLU H H 136 7.720 7.720 8.039 -0.319 25135 4294 1 5 . 1 1 137 137 ASP N N 137 118.200 118.200 120.468 -2.268 25135 4295 1 5 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.354 0.106 25135 4296 1 5 . 1 1 137 137 ASP C C 137 178.100 178.100 178.722 -0.622 25135 4297 1 5 . 1 1 137 137 ASP CA C 137 57.200 57.200 57.913 -0.713 25135 4298 1 5 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.855 -0.756 25135 4299 1 5 . 1 1 137 137 ASP H H 137 8.800 8.800 8.608 0.192 25135 4300 1 5 . 1 1 138 138 GLN N N 138 116.900 116.900 118.113 -1.213 25135 4301 1 5 . 1 1 138 138 GLN HA H 138 3.880 3.880 3.973 -0.093 25135 4302 1 5 . 1 1 138 138 GLN C C 138 178.400 178.400 178.659 -0.259 25135 4303 1 5 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.832 0.068 25135 4304 1 5 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.514 0.186 25135 4305 1 5 . 1 1 138 138 GLN H H 138 7.510 7.510 7.844 -0.334 25135 4306 1 5 . 1 1 139 139 GLN N N 139 119.500 119.500 119.032 0.468 25135 4307 1 5 . 1 1 139 139 GLN HA H 139 4.110 4.110 3.984 0.126 25135 4308 1 5 . 1 1 139 139 GLN C C 139 178.900 178.900 178.759 0.141 25135 4309 1 5 . 1 1 139 139 GLN CA C 139 58.900 58.900 58.931 -0.031 25135 4310 1 5 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.407 0.193 25135 4311 1 5 . 1 1 139 139 GLN H H 139 7.520 7.520 7.680 -0.160 25135 4312 1 5 . 1 1 140 140 ASP N N 140 121.700 121.700 118.262 3.438 25135 4313 1 5 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.576 -0.556 25135 4314 1 5 . 1 1 140 140 ASP C C 140 177.700 177.700 178.035 -0.335 25135 4315 1 5 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.254 1.046 25135 4316 1 5 . 1 1 140 140 ASP CB C 140 40.700 40.700 40.292 0.408 25135 4317 1 5 . 1 1 140 140 ASP H H 140 9.130 9.130 7.878 1.252 25135 4318 1 5 . 1 1 141 141 ALA N N 141 121.000 121.000 124.182 -3.182 25135 4319 1 5 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.097 0.153 25135 4320 1 5 . 1 1 141 141 ALA C C 141 180.800 180.800 178.953 1.847 25135 4321 1 5 . 1 1 141 141 ALA CA C 141 55.400 55.400 54.929 0.471 25135 4322 1 5 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.583 0.917 25135 4323 1 5 . 1 1 141 141 ALA H H 141 8.720 8.720 7.978 0.742 25135 4324 1 5 . 1 1 142 142 ASP N N 142 119.100 119.100 118.278 0.822 25135 4325 1 5 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.332 0.098 25135 4326 1 5 . 1 1 142 142 ASP C C 142 178.600 178.600 178.807 -0.207 25135 4327 1 5 . 1 1 142 142 ASP CA C 142 57.600 57.600 57.398 0.202 25135 4328 1 5 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.568 0.732 25135 4329 1 5 . 1 1 142 142 ASP H H 142 7.850 7.850 8.738 -0.888 25135 4330 1 5 . 1 1 143 143 GLU N N 143 119.500 119.500 117.854 1.646 25135 4331 1 5 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.185 -0.155 25135 4332 1 5 . 1 1 143 143 GLU C C 143 180.100 180.100 178.580 1.520 25135 4333 1 5 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.544 1.156 25135 4334 1 5 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.842 -0.242 25135 4335 1 5 . 1 1 143 143 GLU H H 143 7.860 7.860 7.678 0.182 25135 4336 1 5 . 1 1 144 144 ASP N N 144 121.000 121.000 120.838 0.162 25135 4337 1 5 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.317 0.333 25135 4338 1 5 . 1 1 144 144 ASP C C 144 179.500 179.500 178.400 1.100 25135 4339 1 5 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.473 0.027 25135 4340 1 5 . 1 1 144 144 ASP CB C 144 41.100 41.100 40.744 0.356 25135 4341 1 5 . 1 1 144 144 ASP H H 144 8.840 8.840 8.136 0.704 25135 4342 1 5 . 1 1 145 145 ARG N N 145 121.400 121.400 117.894 3.506 25135 4343 1 5 . 1 1 145 145 ARG HA H 145 4.130 4.130 4.214 -0.084 25135 4344 1 5 . 1 1 145 145 ARG C C 145 178.700 178.700 179.052 -0.352 25135 4345 1 5 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.450 0.050 25135 4346 1 5 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.808 -0.208 25135 4347 1 5 . 1 1 145 145 ARG H H 145 8.510 8.510 8.047 0.463 25135 4348 1 5 . 1 1 146 146 ARG N N 146 119.400 119.400 119.424 -0.024 25135 4349 1 5 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.146 -0.036 25135 4350 1 5 . 1 1 146 146 ARG C C 146 178.400 178.400 178.034 0.366 25135 4351 1 5 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.598 0.802 25135 4352 1 5 . 1 1 146 146 ARG CB C 146 30.200 30.200 29.756 0.444 25135 4353 1 5 . 1 1 146 146 ARG H H 146 7.680 7.680 7.837 -0.157 25135 4354 1 5 . 1 1 147 147 ALA N N 147 120.300 120.300 122.343 -2.043 25135 4355 1 5 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.379 -0.069 25135 4356 1 5 . 1 1 147 147 ALA C C 147 179.500 179.500 179.180 0.320 25135 4357 1 5 . 1 1 147 147 ALA CA C 147 54.100 54.100 54.776 -0.676 25135 4358 1 5 . 1 1 147 147 ALA CB C 147 19.100 19.100 19.012 0.088 25135 4359 1 5 . 1 1 147 147 ALA H H 147 7.840 7.840 8.016 -0.176 25135 4360 1 5 . 1 1 148 148 PHE N N 148 119.900 119.900 117.896 2.004 25135 4361 1 5 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.335 0.055 25135 4362 1 5 . 1 1 148 148 PHE C C 148 176.900 176.900 177.236 -0.336 25135 4363 1 5 . 1 1 148 148 PHE CA C 148 60.500 60.500 58.368 2.132 25135 4364 1 5 . 1 1 148 148 PHE CB C 148 39.700 39.700 38.421 1.279 25135 4365 1 5 . 1 1 148 148 PHE H H 148 8.210 8.210 8.180 0.030 25135 4366 1 5 . 1 1 149 149 GLN N N 149 118.500 118.500 119.150 -0.650 25135 4367 1 5 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.401 0.729 25135 4368 1 5 . 1 1 149 149 GLN C C 149 176.400 176.400 176.753 -0.353 25135 4369 1 5 . 1 1 149 149 GLN CA C 149 56.900 56.900 57.847 -0.947 25135 4370 1 5 . 1 1 149 149 GLN CB C 149 28.900 28.900 28.318 0.582 25135 4371 1 5 . 1 1 149 149 GLN H H 149 7.960 7.960 8.107 -0.147 25135 4372 1 5 . 1 1 150 150 MET N N 150 118.000 118.000 113.641 4.359 25135 4373 1 5 . 1 1 150 150 MET HA H 150 4.360 4.360 4.505 -0.145 25135 4374 1 5 . 1 1 150 150 MET C C 150 176.300 176.300 175.309 0.991 25135 4375 1 5 . 1 1 150 150 MET CA C 150 56.000 56.000 55.202 0.798 25135 4376 1 5 . 1 1 150 150 MET CB C 150 32.800 32.800 35.730 -2.930 25135 4377 1 5 . 1 1 150 150 MET H H 150 7.760 7.760 7.346 0.414 25135 4378 1 5 . 1 1 151 151 LEU N N 151 121.200 121.200 121.022 0.178 25135 4379 1 5 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.080 0.190 25135 4380 1 5 . 1 1 151 151 LEU C C 151 177.100 177.100 176.859 0.241 25135 4381 1 5 . 1 1 151 151 LEU CA C 151 55.400 55.400 55.680 -0.280 25135 4382 1 5 . 1 1 151 151 LEU CB C 151 42.300 42.300 41.542 0.758 25135 4383 1 5 . 1 1 151 151 LEU H H 151 7.690 7.690 8.102 -0.412 25135 4384 1 5 . 1 1 152 152 ARG N N 152 121.800 121.800 121.804 -0.004 25135 4385 1 5 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.362 -0.122 25135 4386 1 5 . 1 1 152 152 ARG C C 152 176.000 176.000 176.875 -0.875 25135 4387 1 5 . 1 1 152 152 ARG CA C 152 56.200 56.200 56.345 -0.145 25135 4388 1 5 . 1 1 152 152 ARG CB C 152 30.900 30.900 31.215 -0.315 25135 4389 1 5 . 1 1 152 152 ARG H H 152 8.120 8.120 8.468 -0.348 25135 4390 1 5 . 1 1 153 153 ARG N N 153 123.100 123.100 121.739 1.361 25135 4391 1 5 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.435 -0.075 25135 4392 1 5 . 1 1 153 153 ARG C C 153 174.900 174.900 174.879 0.021 25135 4393 1 5 . 1 1 153 153 ARG CA C 153 56.000 56.000 55.742 0.258 25135 4394 1 5 . 1 1 153 153 ARG CB C 153 31.000 31.000 29.533 1.467 25135 4395 1 5 . 1 1 153 153 ARG H H 153 8.380 8.380 8.109 0.271 25135 4396 1 6 . 1 1 2 2 GLU N N 2 120.000 120.000 120.207 -0.207 25135 4397 1 6 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.086 -0.106 25135 4398 1 6 . 1 1 2 2 GLU C C 2 178.400 178.400 177.839 0.561 25135 4399 1 6 . 1 1 2 2 GLU CA C 2 59.400 59.400 59.364 0.037 25135 4400 1 6 . 1 1 2 2 GLU CB C 2 29.200 29.200 29.100 0.100 25135 4401 1 6 . 1 1 2 2 GLU H H 2 8.140 8.140 8.892 -0.752 25135 4402 1 6 . 1 1 3 3 ASN N N 3 117.300 117.300 115.409 1.891 25135 4403 1 6 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.672 -0.032 25135 4404 1 6 . 1 1 3 3 ASN C C 3 177.900 177.900 176.493 1.407 25135 4405 1 6 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.718 1.082 25135 4406 1 6 . 1 1 3 3 ASN CB C 3 39.000 39.000 38.235 0.765 25135 4407 1 6 . 1 1 3 3 ASN H H 3 7.960 7.960 8.662 -0.702 25135 4408 1 6 . 1 1 4 4 LEU N N 4 119.700 119.700 122.077 -2.377 25135 4409 1 6 . 1 1 4 4 LEU HA H 4 4.030 4.030 3.962 0.068 25135 4410 1 6 . 1 1 4 4 LEU C C 4 177.900 177.900 178.343 -0.443 25135 4411 1 6 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.886 -0.486 25135 4412 1 6 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.815 0.185 25135 4413 1 6 . 1 1 4 4 LEU H H 4 8.450 8.450 8.129 0.321 25135 4414 1 6 . 1 1 5 5 LYS N N 5 118.200 118.200 115.818 2.382 25135 4415 1 6 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.047 -0.107 25135 4416 1 6 . 1 1 5 5 LYS C C 5 179.200 179.200 178.867 0.333 25135 4417 1 6 . 1 1 5 5 LYS CA C 5 60.000 60.000 59.338 0.662 25135 4418 1 6 . 1 1 5 5 LYS CB C 5 31.900 31.900 32.131 -0.231 25135 4419 1 6 . 1 1 5 5 LYS H H 5 7.940 7.940 7.858 0.082 25135 4420 1 6 . 1 1 6 6 HIS N N 6 118.400 118.400 119.397 -0.997 25135 4421 1 6 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.481 -0.061 25135 4422 1 6 . 1 1 6 6 HIS C C 6 178.200 178.200 177.375 0.825 25135 4423 1 6 . 1 1 6 6 HIS CA C 6 59.100 59.100 58.629 0.471 25135 4424 1 6 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.130 0.770 25135 4425 1 6 . 1 1 6 6 HIS H H 6 7.710 7.710 7.781 -0.071 25135 4426 1 6 . 1 1 7 7 ILE N N 7 120.300 120.300 121.286 -0.986 25135 4427 1 6 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.494 -0.054 25135 4428 1 6 . 1 1 7 7 ILE C C 7 176.500 176.500 177.350 -0.850 25135 4429 1 6 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.441 0.559 25135 4430 1 6 . 1 1 7 7 ILE CB C 7 38.700 38.700 38.022 0.678 25135 4431 1 6 . 1 1 7 7 ILE H H 7 7.950 7.950 8.343 -0.393 25135 4432 1 6 . 1 1 8 8 ILE N N 8 120.200 120.200 119.650 0.550 25135 4433 1 6 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.423 0.157 25135 4434 1 6 . 1 1 8 8 ILE C C 8 178.000 178.000 177.821 0.179 25135 4435 1 6 . 1 1 8 8 ILE CA C 8 65.800 65.800 66.152 -0.352 25135 4436 1 6 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.560 1.040 25135 4437 1 6 . 1 1 8 8 ILE H H 8 8.450 8.450 8.840 -0.390 25135 4438 1 6 . 1 1 9 9 THR N N 9 115.400 115.400 114.654 0.746 25135 4439 1 6 . 1 1 9 9 THR HA H 9 3.880 3.880 4.103 -0.223 25135 4440 1 6 . 1 1 9 9 THR C C 9 176.300 176.300 176.518 -0.218 25135 4441 1 6 . 1 1 9 9 THR CA C 9 66.900 66.900 65.777 1.123 25135 4442 1 6 . 1 1 9 9 THR CB C 9 68.800 68.800 68.762 0.038 25135 4443 1 6 . 1 1 9 9 THR H H 9 8.120 8.120 7.558 0.562 25135 4444 1 6 . 1 1 10 10 LEU N N 10 122.100 122.100 121.676 0.424 25135 4445 1 6 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.081 -0.031 25135 4446 1 6 . 1 1 10 10 LEU C C 10 178.800 178.800 178.250 0.550 25135 4447 1 6 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.858 1.042 25135 4448 1 6 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.202 1.098 25135 4449 1 6 . 1 1 10 10 LEU H H 10 7.950 7.950 7.450 0.500 25135 4450 1 6 . 1 1 11 11 GLY N N 11 105.800 105.800 106.091 -0.291 25135 4451 1 6 . 1 1 11 11 GLY C C 11 174.700 174.700 176.311 -1.611 25135 4452 1 6 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.042 0.458 25135 4453 1 6 . 1 1 11 11 GLY H H 11 8.660 8.660 8.469 0.191 25135 4454 1 6 . 1 1 12 12 GLN N N 12 119.600 119.600 119.673 -0.073 25135 4455 1 6 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.351 -0.361 25135 4456 1 6 . 1 1 12 12 GLN C C 12 179.600 179.600 178.613 0.987 25135 4457 1 6 . 1 1 12 12 GLN CA C 12 59.300 59.300 58.200 1.100 25135 4458 1 6 . 1 1 12 12 GLN CB C 12 27.900 27.900 29.003 -1.103 25135 4459 1 6 . 1 1 12 12 GLN H H 12 8.050 8.050 7.559 0.491 25135 4460 1 6 . 1 1 13 13 VAL N N 13 122.600 122.600 121.959 0.641 25135 4461 1 6 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.665 0.005 25135 4462 1 6 . 1 1 13 13 VAL C C 13 178.500 178.500 177.541 0.959 25135 4463 1 6 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.863 -0.163 25135 4464 1 6 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.453 0.447 25135 4465 1 6 . 1 1 13 13 VAL H H 13 8.300 8.300 7.867 0.433 25135 4466 1 6 . 1 1 14 14 ILE N N 14 121.000 121.000 119.442 1.558 25135 4467 1 6 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.793 -0.323 25135 4468 1 6 . 1 1 14 14 ILE C C 14 177.700 177.700 178.471 -0.771 25135 4469 1 6 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.141 0.659 25135 4470 1 6 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.729 0.671 25135 4471 1 6 . 1 1 14 14 ILE H H 14 8.480 8.480 8.658 -0.178 25135 4472 1 6 . 1 1 15 15 HIS N N 15 118.900 118.900 118.181 0.719 25135 4473 1 6 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.314 -0.414 25135 4474 1 6 . 1 1 15 15 HIS C C 15 176.200 176.200 176.824 -0.624 25135 4475 1 6 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.260 2.040 25135 4476 1 6 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.191 -0.191 25135 4477 1 6 . 1 1 15 15 HIS H H 15 8.250 8.250 7.629 0.621 25135 4478 1 6 . 1 1 16 16 LYS N N 16 118.500 118.500 120.500 -2.000 25135 4479 1 6 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.644 0.026 25135 4480 1 6 . 1 1 16 16 LYS C C 16 179.200 179.200 178.937 0.263 25135 4481 1 6 . 1 1 16 16 LYS CA C 16 59.500 59.500 59.158 0.341 25135 4482 1 6 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.067 0.433 25135 4483 1 6 . 1 1 16 16 LYS H H 16 7.820 7.820 8.242 -0.422 25135 4484 1 6 . 1 1 17 17 ARG N N 17 117.600 117.600 117.716 -0.116 25135 4485 1 6 . 1 1 17 17 ARG HA H 17 3.960 3.960 4.056 -0.096 25135 4486 1 6 . 1 1 17 17 ARG C C 17 180.600 180.600 177.302 3.298 25135 4487 1 6 . 1 1 17 17 ARG CA C 17 59.200 59.200 58.929 0.271 25135 4488 1 6 . 1 1 17 17 ARG CB C 17 30.500 30.500 29.974 0.525 25135 4489 1 6 . 1 1 17 17 ARG H H 17 8.330 8.330 8.654 -0.324 25135 4490 1 6 . 1 1 18 18 CYS N N 18 118.100 118.100 116.101 1.999 25135 4491 1 6 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.280 -0.390 25135 4492 1 6 . 1 1 18 18 CYS C C 18 177.300 177.300 177.496 -0.196 25135 4493 1 6 . 1 1 18 18 CYS CA C 18 65.900 65.900 60.326 5.574 25135 4494 1 6 . 1 1 18 18 CYS CB C 18 27.600 27.600 27.468 0.132 25135 4495 1 6 . 1 1 18 18 CYS H H 18 8.550 8.550 7.550 1.000 25135 4496 1 6 . 1 1 19 19 GLU N N 19 117.900 117.900 119.872 -1.972 25135 4497 1 6 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.085 -0.275 25135 4498 1 6 . 1 1 19 19 GLU C C 19 177.100 177.100 177.400 -0.300 25135 4499 1 6 . 1 1 19 19 GLU CA C 19 58.300 58.300 58.855 -0.555 25135 4500 1 6 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.593 0.407 25135 4501 1 6 . 1 1 19 19 GLU H H 19 7.540 7.540 8.162 -0.622 25135 4502 1 6 . 1 1 20 20 GLU N N 20 115.400 115.400 114.377 1.023 25135 4503 1 6 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.367 -0.147 25135 4504 1 6 . 1 1 20 20 GLU C C 20 177.100 177.100 176.722 0.378 25135 4505 1 6 . 1 1 20 20 GLU CA C 20 55.900 55.900 55.500 0.400 25135 4506 1 6 . 1 1 20 20 GLU CB C 20 30.600 30.600 29.460 1.140 25135 4507 1 6 . 1 1 20 20 GLU H H 20 7.190 7.190 7.557 -0.367 25135 4508 1 6 . 1 1 21 21 MET N N 21 120.500 120.500 119.118 1.382 25135 4509 1 6 . 1 1 21 21 MET HA H 21 4.260 4.260 4.344 -0.084 25135 4510 1 6 . 1 1 21 21 MET C C 21 177.800 177.800 176.566 1.234 25135 4511 1 6 . 1 1 21 21 MET CA C 21 56.400 56.400 55.276 1.124 25135 4512 1 6 . 1 1 21 21 MET CB C 21 33.300 33.300 32.692 0.608 25135 4513 1 6 . 1 1 21 21 MET H H 21 6.940 6.940 7.359 -0.419 25135 4514 1 6 . 1 1 22 22 LYS N N 22 120.500 120.500 123.824 -3.324 25135 4515 1 6 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.333 -0.383 25135 4516 1 6 . 1 1 22 22 LYS C C 22 175.400 175.400 175.445 -0.045 25135 4517 1 6 . 1 1 22 22 LYS CA C 22 57.000 57.000 56.188 0.812 25135 4518 1 6 . 1 1 22 22 LYS CB C 22 33.600 33.600 32.768 0.832 25135 4519 1 6 . 1 1 22 22 LYS H H 22 8.760 8.760 8.802 -0.042 25135 4520 1 6 . 1 1 23 23 TYR N N 23 115.500 115.500 115.955 -0.455 25135 4521 1 6 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.601 0.309 25135 4522 1 6 . 1 1 23 23 TYR C C 23 173.700 173.700 174.801 -1.101 25135 4523 1 6 . 1 1 23 23 TYR CA C 23 55.000 55.000 57.678 -2.678 25135 4524 1 6 . 1 1 23 23 TYR CB C 23 41.900 41.900 42.322 -0.422 25135 4525 1 6 . 1 1 23 23 TYR H H 23 7.260 7.260 7.488 -0.228 25135 4526 1 6 . 1 1 24 24 CYS N N 24 113.600 113.600 118.673 -5.073 25135 4527 1 6 . 1 1 24 24 CYS HA H 24 3.700 3.700 4.204 -0.504 25135 4528 1 6 . 1 1 24 24 CYS C C 24 174.700 174.700 176.031 -1.331 25135 4529 1 6 . 1 1 24 24 CYS CA C 24 60.400 60.400 59.761 0.639 25135 4530 1 6 . 1 1 24 24 CYS CB C 24 26.100 26.100 25.650 0.450 25135 4531 1 6 . 1 1 24 24 CYS H H 24 8.720 8.720 9.083 -0.363 25135 4532 1 6 . 1 1 25 25 LYS N N 25 115.800 115.800 119.228 -3.428 25135 4533 1 6 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.907 -0.327 25135 4534 1 6 . 1 1 25 25 LYS C C 25 179.800 179.800 178.690 1.110 25135 4535 1 6 . 1 1 25 25 LYS CA C 25 60.700 60.700 59.688 1.012 25135 4536 1 6 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.171 1.129 25135 4537 1 6 . 1 1 25 25 LYS H H 25 8.050 8.050 8.093 -0.043 25135 4538 1 6 . 1 1 26 26 LYS N N 26 121.000 121.000 118.558 2.442 25135 4539 1 6 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.931 0.059 25135 4540 1 6 . 1 1 26 26 LYS C C 26 181.300 181.300 179.244 2.056 25135 4541 1 6 . 1 1 26 26 LYS CA C 26 59.000 59.000 59.700 -0.700 25135 4542 1 6 . 1 1 26 26 LYS CB C 26 30.400 30.400 32.027 -1.627 25135 4543 1 6 . 1 1 26 26 LYS H H 26 10.600 10.600 8.409 2.191 25135 4544 1 6 . 1 1 27 27 GLN N N 27 120.500 120.500 118.203 2.297 25135 4545 1 6 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.348 -0.378 25135 4546 1 6 . 1 1 27 27 GLN C C 27 180.200 180.200 178.709 1.491 25135 4547 1 6 . 1 1 27 27 GLN CA C 27 59.300 59.300 59.327 -0.027 25135 4548 1 6 . 1 1 27 27 GLN CB C 27 32.100 32.100 28.952 3.148 25135 4549 1 6 . 1 1 27 27 GLN H H 27 9.890 9.890 8.220 1.670 25135 4550 1 6 . 1 1 28 28 CYS N N 28 118.800 118.800 119.019 -0.219 25135 4551 1 6 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.975 0.235 25135 4552 1 6 . 1 1 28 28 CYS C C 28 176.200 176.200 177.118 -0.918 25135 4553 1 6 . 1 1 28 28 CYS CA C 28 64.300 64.300 64.124 0.176 25135 4554 1 6 . 1 1 28 28 CYS CB C 28 26.800 26.800 27.100 -0.300 25135 4555 1 6 . 1 1 28 28 CYS H H 28 8.550 8.550 8.869 -0.319 25135 4556 1 6 . 1 1 29 29 ARG N N 29 119.300 119.300 117.850 1.450 25135 4557 1 6 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.933 -0.063 25135 4558 1 6 . 1 1 29 29 ARG C C 29 178.900 178.900 178.970 -0.070 25135 4559 1 6 . 1 1 29 29 ARG CA C 29 59.300 59.300 59.445 -0.145 25135 4560 1 6 . 1 1 29 29 ARG CB C 29 29.200 29.200 29.617 -0.417 25135 4561 1 6 . 1 1 29 29 ARG H H 29 8.700 8.700 8.518 0.182 25135 4562 1 6 . 1 1 30 30 ARG N N 30 119.700 119.700 119.402 0.298 25135 4563 1 6 . 1 1 30 30 ARG HA H 30 3.890 3.890 4.099 -0.209 25135 4564 1 6 . 1 1 30 30 ARG C C 30 178.000 178.000 178.305 -0.305 25135 4565 1 6 . 1 1 30 30 ARG CA C 30 58.200 58.200 58.869 -0.669 25135 4566 1 6 . 1 1 30 30 ARG CB C 30 29.100 29.100 29.956 -0.856 25135 4567 1 6 . 1 1 30 30 ARG H H 30 7.810 7.810 7.428 0.382 25135 4568 1 6 . 1 1 31 31 LEU N N 31 120.600 120.600 120.852 -0.252 25135 4569 1 6 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.503 0.537 25135 4570 1 6 . 1 1 31 31 LEU C C 31 178.400 178.400 178.050 0.350 25135 4571 1 6 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.545 0.755 25135 4572 1 6 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.223 -0.023 25135 4573 1 6 . 1 1 31 31 LEU H H 31 7.310 7.310 8.032 -0.722 25135 4574 1 6 . 1 1 32 32 GLY N N 32 105.200 105.200 105.538 -0.338 25135 4575 1 6 . 1 1 32 32 GLY C C 32 175.600 175.600 175.779 -0.179 25135 4576 1 6 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.321 1.079 25135 4577 1 6 . 1 1 32 32 GLY H H 32 7.960 7.960 7.736 0.224 25135 4578 1 6 . 1 1 33 33 HIS N N 33 120.500 120.500 122.311 -1.811 25135 4579 1 6 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.143 0.087 25135 4580 1 6 . 1 1 33 33 HIS C C 33 179.400 179.400 177.976 1.424 25135 4581 1 6 . 1 1 33 33 HIS CA C 33 59.600 59.600 59.702 -0.102 25135 4582 1 6 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.140 0.460 25135 4583 1 6 . 1 1 33 33 HIS H H 33 8.340 8.340 8.174 0.166 25135 4584 1 6 . 1 1 34 34 ARG N N 34 121.900 121.900 118.934 2.966 25135 4585 1 6 . 1 1 34 34 ARG HA H 34 3.870 3.870 4.001 -0.131 25135 4586 1 6 . 1 1 34 34 ARG C C 34 179.600 179.600 178.491 1.109 25135 4587 1 6 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.260 0.240 25135 4588 1 6 . 1 1 34 34 ARG CB C 34 30.100 30.100 29.984 0.116 25135 4589 1 6 . 1 1 34 34 ARG H H 34 8.680 8.680 8.471 0.209 25135 4590 1 6 . 1 1 35 35 VAL N N 35 118.500 118.500 120.947 -2.447 25135 4591 1 6 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.362 0.048 25135 4592 1 6 . 1 1 35 35 VAL C C 35 177.600 177.600 177.741 -0.141 25135 4593 1 6 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.535 1.265 25135 4594 1 6 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.480 -0.180 25135 4595 1 6 . 1 1 35 35 VAL H H 35 8.500 8.500 8.170 0.330 25135 4596 1 6 . 1 1 36 36 LEU N N 36 118.300 118.300 119.074 -0.774 25135 4597 1 6 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.750 0.150 25135 4598 1 6 . 1 1 36 36 LEU C C 36 179.600 179.600 179.245 0.355 25135 4599 1 6 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.702 0.298 25135 4600 1 6 . 1 1 36 36 LEU CB C 36 41.400 41.400 41.041 0.359 25135 4601 1 6 . 1 1 36 36 LEU H H 36 7.890 7.890 8.537 -0.647 25135 4602 1 6 . 1 1 37 37 GLY N N 37 104.900 104.900 105.077 -0.177 25135 4603 1 6 . 1 1 37 37 GLY C C 37 175.700 175.700 175.314 0.386 25135 4604 1 6 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.755 -0.055 25135 4605 1 6 . 1 1 37 37 GLY H H 37 7.760 7.760 7.497 0.263 25135 4606 1 6 . 1 1 38 38 LEU N N 38 120.500 120.500 120.139 0.361 25135 4607 1 6 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.755 -0.165 25135 4608 1 6 . 1 1 38 38 LEU C C 38 176.900 176.900 177.945 -1.045 25135 4609 1 6 . 1 1 38 38 LEU CA C 38 56.500 56.500 56.073 0.427 25135 4610 1 6 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.353 -0.753 25135 4611 1 6 . 1 1 38 38 LEU H H 38 7.720 7.720 7.492 0.228 25135 4612 1 6 . 1 1 39 39 ILE N N 39 108.700 108.700 115.756 -7.056 25135 4613 1 6 . 1 1 39 39 ILE HA H 39 4.190 4.190 4.052 0.138 25135 4614 1 6 . 1 1 39 39 ILE C C 39 178.100 178.100 177.130 0.970 25135 4615 1 6 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.426 -0.726 25135 4616 1 6 . 1 1 39 39 ILE CB C 39 38.500 38.500 38.052 0.448 25135 4617 1 6 . 1 1 39 39 ILE H H 39 7.540 7.540 7.508 0.032 25135 4618 1 6 . 1 1 40 40 LYS N N 40 122.800 122.800 122.464 0.336 25135 4619 1 6 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.158 0.272 25135 4620 1 6 . 1 1 40 40 LYS CA C 40 60.700 60.700 59.876 0.824 25135 4621 1 6 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.365 0.035 25135 4622 1 6 . 1 1 40 40 LYS H H 40 7.600 7.600 8.438 -0.838 25135 4623 1 6 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.336 0.094 25135 4624 1 6 . 1 1 41 41 PRO C C 41 178.700 178.700 178.790 -0.090 25135 4625 1 6 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.523 -0.023 25135 4626 1 6 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.395 0.205 25135 4627 1 6 . 1 1 42 42 LEU N N 42 114.400 114.400 118.707 -4.307 25135 4628 1 6 . 1 1 42 42 LEU HA H 42 4.060 4.060 4.042 0.018 25135 4629 1 6 . 1 1 42 42 LEU C C 42 178.800 178.800 179.157 -0.357 25135 4630 1 6 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.686 -0.586 25135 4631 1 6 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.127 -0.827 25135 4632 1 6 . 1 1 42 42 LEU H H 42 7.200 7.200 7.616 -0.416 25135 4633 1 6 . 1 1 43 43 GLU N N 43 119.200 119.200 119.324 -0.124 25135 4634 1 6 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.958 -0.038 25135 4635 1 6 . 1 1 43 43 GLU C C 43 179.100 179.100 178.736 0.364 25135 4636 1 6 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.657 -0.157 25135 4637 1 6 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.444 0.656 25135 4638 1 6 . 1 1 43 43 GLU H H 43 8.120 8.120 8.279 -0.159 25135 4639 1 6 . 1 1 44 44 MET N N 44 116.500 116.500 116.059 0.441 25135 4640 1 6 . 1 1 44 44 MET HA H 44 4.310 4.310 4.294 0.016 25135 4641 1 6 . 1 1 44 44 MET C C 44 177.900 177.900 177.936 -0.036 25135 4642 1 6 . 1 1 44 44 MET CA C 44 57.600 57.600 57.931 -0.331 25135 4643 1 6 . 1 1 44 44 MET CB C 44 32.500 32.500 32.769 -0.269 25135 4644 1 6 . 1 1 44 44 MET H H 44 7.600 7.600 7.531 0.069 25135 4645 1 6 . 1 1 45 45 LEU N N 45 119.900 119.900 119.806 0.094 25135 4646 1 6 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.264 -0.114 25135 4647 1 6 . 1 1 45 45 LEU C C 45 178.000 178.000 178.874 -0.874 25135 4648 1 6 . 1 1 45 45 LEU CA C 45 56.600 56.600 58.183 -1.583 25135 4649 1 6 . 1 1 45 45 LEU CB C 45 42.000 42.000 42.625 -0.625 25135 4650 1 6 . 1 1 45 45 LEU H H 45 7.620 7.620 7.922 -0.302 25135 4651 1 6 . 1 1 46 46 GLN N N 46 118.300 118.300 118.211 0.089 25135 4652 1 6 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.224 -0.204 25135 4653 1 6 . 1 1 46 46 GLN C C 46 176.500 176.500 178.422 -1.922 25135 4654 1 6 . 1 1 46 46 GLN CA C 46 57.700 57.700 57.808 -0.108 25135 4655 1 6 . 1 1 46 46 GLN CB C 46 29.500 29.500 28.107 1.393 25135 4656 1 6 . 1 1 46 46 GLN H H 46 7.950 7.950 8.619 -0.669 25135 4657 1 6 . 1 1 47 47 ASP N N 47 119.000 119.000 120.221 -1.221 25135 4658 1 6 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.403 0.167 25135 4659 1 6 . 1 1 47 47 ASP C C 47 176.900 176.900 178.500 -1.600 25135 4660 1 6 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.457 -1.157 25135 4661 1 6 . 1 1 47 47 ASP CB C 47 41.300 41.300 40.960 0.340 25135 4662 1 6 . 1 1 47 47 ASP H H 47 7.890 7.890 7.634 0.256 25135 4663 1 6 . 1 1 48 48 GLN N N 48 119.500 119.500 117.444 2.056 25135 4664 1 6 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.091 0.139 25135 4665 1 6 . 1 1 48 48 GLN C C 48 177.200 177.200 177.135 0.065 25135 4666 1 6 . 1 1 48 48 GLN CA C 48 56.700 56.700 57.527 -0.827 25135 4667 1 6 . 1 1 48 48 GLN CB C 48 29.300 29.300 29.314 -0.014 25135 4668 1 6 . 1 1 48 48 GLN H H 48 8.080 8.080 8.063 0.017 25135 4669 1 6 . 1 1 49 49 GLY N N 49 108.100 108.100 104.640 3.460 25135 4670 1 6 . 1 1 49 49 GLY C C 49 174.300 174.300 174.373 -0.073 25135 4671 1 6 . 1 1 49 49 GLY CA C 49 46.000 46.000 44.695 1.305 25135 4672 1 6 . 1 1 49 49 GLY H H 49 8.270 8.270 7.911 0.359 25135 4673 1 6 . 1 1 50 50 LYS N N 50 120.200 120.200 122.174 -1.974 25135 4674 1 6 . 1 1 50 50 LYS HA H 50 4.320 4.320 4.332 -0.012 25135 4675 1 6 . 1 1 50 50 LYS C C 50 176.400 176.400 175.864 0.536 25135 4676 1 6 . 1 1 50 50 LYS CA C 50 56.500 56.500 55.291 1.209 25135 4677 1 6 . 1 1 50 50 LYS CB C 50 32.900 32.900 31.521 1.379 25135 4678 1 6 . 1 1 50 50 LYS H H 50 8.130 8.130 7.776 0.354 25135 4679 1 6 . 1 1 51 51 ARG N N 51 121.300 121.300 121.166 0.134 25135 4680 1 6 . 1 1 51 51 ARG HA H 51 4.460 4.460 3.984 0.476 25135 4681 1 6 . 1 1 51 51 ARG C C 51 176.100 176.100 173.954 2.146 25135 4682 1 6 . 1 1 51 51 ARG CA C 51 56.000 56.000 56.933 -0.933 25135 4683 1 6 . 1 1 51 51 ARG CB C 51 31.200 31.200 29.915 1.285 25135 4684 1 6 . 1 1 51 51 ARG H H 51 8.260 8.260 8.033 0.227 25135 4685 1 6 . 1 1 52 52 SER N N 52 116.900 116.900 118.078 -1.178 25135 4686 1 6 . 1 1 52 52 SER HA H 52 4.550 4.550 4.610 -0.060 25135 4687 1 6 . 1 1 52 52 SER C C 52 173.900 173.900 172.456 1.444 25135 4688 1 6 . 1 1 52 52 SER CA C 52 57.800 57.800 58.291 -0.491 25135 4689 1 6 . 1 1 52 52 SER CB C 52 64.300 64.300 63.900 0.400 25135 4690 1 6 . 1 1 52 52 SER H H 52 8.150 8.150 8.469 -0.319 25135 4691 1 6 . 1 1 53 53 VAL N N 53 124.300 124.300 124.227 0.073 25135 4692 1 6 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.352 -0.062 25135 4693 1 6 . 1 1 53 53 VAL CA C 53 60.400 60.400 58.783 1.617 25135 4694 1 6 . 1 1 53 53 VAL CB C 53 32.500 32.500 33.353 -0.853 25135 4695 1 6 . 1 1 53 53 VAL H H 53 8.420 8.420 8.078 0.342 25135 4696 1 6 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.598 -0.108 25135 4697 1 6 . 1 1 54 54 PRO C C 54 176.600 176.600 176.017 0.583 25135 4698 1 6 . 1 1 54 54 PRO CA C 54 62.500 62.500 62.199 0.301 25135 4699 1 6 . 1 1 54 54 PRO CB C 54 32.600 32.600 30.801 1.799 25135 4700 1 6 . 1 1 55 55 SER N N 55 119.500 119.500 118.885 0.615 25135 4701 1 6 . 1 1 55 55 SER HA H 55 4.370 4.370 4.546 -0.176 25135 4702 1 6 . 1 1 55 55 SER C C 55 175.500 175.500 175.615 -0.115 25135 4703 1 6 . 1 1 55 55 SER CA C 55 58.200 58.200 56.904 1.296 25135 4704 1 6 . 1 1 55 55 SER CB C 55 64.200 64.200 64.748 -0.548 25135 4705 1 6 . 1 1 55 55 SER H H 55 8.970 8.970 8.028 0.942 25135 4706 1 6 . 1 1 56 56 GLU N N 56 123.000 123.000 124.262 -1.262 25135 4707 1 6 . 1 1 56 56 GLU HA H 56 4.140 4.140 3.978 0.162 25135 4708 1 6 . 1 1 56 56 GLU C C 56 179.300 179.300 178.674 0.626 25135 4709 1 6 . 1 1 56 56 GLU CA C 56 59.700 59.700 60.402 -0.702 25135 4710 1 6 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.724 -0.524 25135 4711 1 6 . 1 1 56 56 GLU H H 56 9.030 9.030 9.088 -0.058 25135 4712 1 6 . 1 1 57 57 LYS N N 57 118.900 118.900 117.298 1.602 25135 4713 1 6 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.014 -0.014 25135 4714 1 6 . 1 1 57 57 LYS C C 57 179.400 179.400 177.997 1.403 25135 4715 1 6 . 1 1 57 57 LYS CA C 57 59.600 59.600 59.228 0.372 25135 4716 1 6 . 1 1 57 57 LYS CB C 57 32.700 32.700 32.147 0.553 25135 4717 1 6 . 1 1 57 57 LYS H H 57 8.150 8.150 8.305 -0.154 25135 4718 1 6 . 1 1 58 58 LEU N N 58 122.800 122.800 120.384 2.416 25135 4719 1 6 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.096 0.004 25135 4720 1 6 . 1 1 58 58 LEU C C 58 178.200 178.200 178.615 -0.415 25135 4721 1 6 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.059 0.240 25135 4722 1 6 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.321 -0.821 25135 4723 1 6 . 1 1 58 58 LEU H H 58 8.420 8.420 7.903 0.517 25135 4724 1 6 . 1 1 59 59 THR N N 59 117.800 117.800 113.469 4.331 25135 4725 1 6 . 1 1 59 59 THR HA H 59 3.730 3.730 4.065 -0.335 25135 4726 1 6 . 1 1 59 59 THR C C 59 176.800 176.800 176.618 0.182 25135 4727 1 6 . 1 1 59 59 THR CA C 59 67.500 67.500 66.670 0.830 25135 4728 1 6 . 1 1 59 59 THR CB C 59 68.400 68.400 68.425 -0.025 25135 4729 1 6 . 1 1 59 59 THR H H 59 8.600 8.600 8.408 0.192 25135 4730 1 6 . 1 1 60 60 THR N N 60 118.300 118.300 117.485 0.815 25135 4731 1 6 . 1 1 60 60 THR HA H 60 3.980 3.980 4.002 -0.022 25135 4732 1 6 . 1 1 60 60 THR C C 60 176.400 176.400 175.962 0.438 25135 4733 1 6 . 1 1 60 60 THR CA C 60 66.900 66.900 66.680 0.220 25135 4734 1 6 . 1 1 60 60 THR CB C 60 68.400 68.400 68.552 -0.152 25135 4735 1 6 . 1 1 60 60 THR H H 60 8.390 8.390 7.539 0.851 25135 4736 1 6 . 1 1 61 61 ALA N N 61 124.900 124.900 124.513 0.387 25135 4737 1 6 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.059 0.061 25135 4738 1 6 . 1 1 61 61 ALA C C 61 180.000 180.000 179.481 0.519 25135 4739 1 6 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.420 0.379 25135 4740 1 6 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.307 0.493 25135 4741 1 6 . 1 1 61 61 ALA H H 61 8.090 8.090 7.942 0.147 25135 4742 1 6 . 1 1 62 62 MET N N 62 118.300 118.300 117.697 0.603 25135 4743 1 6 . 1 1 62 62 MET HA H 62 4.110 4.110 4.238 -0.128 25135 4744 1 6 . 1 1 62 62 MET C C 62 178.300 178.300 178.722 -0.422 25135 4745 1 6 . 1 1 62 62 MET CA C 62 59.600 59.600 59.772 -0.172 25135 4746 1 6 . 1 1 62 62 MET CB C 62 32.500 32.500 32.240 0.260 25135 4747 1 6 . 1 1 62 62 MET H H 62 8.820 8.820 8.670 0.150 25135 4748 1 6 . 1 1 63 63 ASN N N 63 119.500 119.500 118.454 1.046 25135 4749 1 6 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.523 0.057 25135 4750 1 6 . 1 1 63 63 ASN C C 63 179.000 179.000 177.881 1.119 25135 4751 1 6 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.723 -0.423 25135 4752 1 6 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.328 -0.628 25135 4753 1 6 . 1 1 63 63 ASN H H 63 8.320 8.320 8.791 -0.471 25135 4754 1 6 . 1 1 64 64 ARG N N 64 122.500 122.500 120.427 2.073 25135 4755 1 6 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.176 0.014 25135 4756 1 6 . 1 1 64 64 ARG C C 64 179.300 179.300 178.982 0.318 25135 4757 1 6 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.259 0.441 25135 4758 1 6 . 1 1 64 64 ARG CB C 64 30.700 30.700 30.023 0.676 25135 4759 1 6 . 1 1 64 64 ARG H H 64 8.560 8.560 8.057 0.503 25135 4760 1 6 . 1 1 65 65 PHE N N 65 123.100 123.100 122.510 0.590 25135 4761 1 6 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.293 0.177 25135 4762 1 6 . 1 1 65 65 PHE C C 65 176.400 176.400 176.979 -0.579 25135 4763 1 6 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.516 1.084 25135 4764 1 6 . 1 1 65 65 PHE CB C 65 39.400 39.400 38.943 0.457 25135 4765 1 6 . 1 1 65 65 PHE H H 65 8.560 8.560 8.835 -0.275 25135 4766 1 6 . 1 1 66 66 LYS N N 66 119.800 119.800 119.576 0.224 25135 4767 1 6 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.752 -0.132 25135 4768 1 6 . 1 1 66 66 LYS C C 66 177.600 177.600 178.819 -1.219 25135 4769 1 6 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.642 1.058 25135 4770 1 6 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.291 0.209 25135 4771 1 6 . 1 1 66 66 LYS H H 66 8.610 8.610 8.894 -0.284 25135 4772 1 6 . 1 1 67 67 ALA N N 67 119.000 119.000 121.685 -2.685 25135 4773 1 6 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.440 -0.210 25135 4774 1 6 . 1 1 67 67 ALA C C 67 180.400 180.400 179.491 0.909 25135 4775 1 6 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.513 0.487 25135 4776 1 6 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.512 -0.512 25135 4777 1 6 . 1 1 67 67 ALA H H 67 8.000 8.000 8.135 -0.135 25135 4778 1 6 . 1 1 68 68 ALA N N 68 122.200 122.200 121.879 0.321 25135 4779 1 6 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.067 0.123 25135 4780 1 6 . 1 1 68 68 ALA C C 68 179.800 179.800 179.804 -0.004 25135 4781 1 6 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.901 0.299 25135 4782 1 6 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.308 -0.508 25135 4783 1 6 . 1 1 68 68 ALA H H 68 7.950 7.950 8.479 -0.529 25135 4784 1 6 . 1 1 69 69 LEU N N 69 118.900 118.900 118.528 0.372 25135 4785 1 6 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.834 0.016 25135 4786 1 6 . 1 1 69 69 LEU C C 69 179.200 179.200 178.727 0.473 25135 4787 1 6 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.431 -0.931 25135 4788 1 6 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.450 -0.050 25135 4789 1 6 . 1 1 69 69 LEU H H 69 8.020 8.020 8.448 -0.428 25135 4790 1 6 . 1 1 70 70 GLU N N 70 120.500 120.500 118.230 2.270 25135 4791 1 6 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.833 0.107 25135 4792 1 6 . 1 1 70 70 GLU C C 70 180.500 180.500 178.930 1.570 25135 4793 1 6 . 1 1 70 70 GLU CA C 70 59.900 59.900 59.778 0.122 25135 4794 1 6 . 1 1 70 70 GLU CB C 70 29.200 29.200 28.915 0.285 25135 4795 1 6 . 1 1 70 70 GLU H H 70 8.590 8.590 8.087 0.503 25135 4796 1 6 . 1 1 71 71 GLU N N 71 122.200 122.200 118.807 3.393 25135 4797 1 6 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.069 0.001 25135 4798 1 6 . 1 1 71 71 GLU C C 71 179.600 179.600 178.619 0.981 25135 4799 1 6 . 1 1 71 71 GLU CA C 71 59.400 59.400 58.923 0.477 25135 4800 1 6 . 1 1 71 71 GLU CB C 71 29.400 29.400 28.674 0.726 25135 4801 1 6 . 1 1 71 71 GLU H H 71 8.300 8.300 7.413 0.887 25135 4802 1 6 . 1 1 72 72 ALA N N 72 122.800 122.800 122.639 0.161 25135 4803 1 6 . 1 1 72 72 ALA HA H 72 3.890 3.890 3.999 -0.109 25135 4804 1 6 . 1 1 72 72 ALA C C 72 178.500 178.500 179.997 -1.497 25135 4805 1 6 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.197 0.503 25135 4806 1 6 . 1 1 72 72 ALA CB C 72 17.200 17.200 18.178 -0.978 25135 4807 1 6 . 1 1 72 72 ALA H H 72 8.330 8.330 7.718 0.612 25135 4808 1 6 . 1 1 73 73 ASN N N 73 115.700 115.700 116.646 -0.946 25135 4809 1 6 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.383 0.067 25135 4810 1 6 . 1 1 73 73 ASN C C 73 177.600 177.600 177.923 -0.323 25135 4811 1 6 . 1 1 73 73 ASN CA C 73 56.300 56.300 55.734 0.566 25135 4812 1 6 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.323 0.577 25135 4813 1 6 . 1 1 73 73 ASN H H 73 8.460 8.460 8.730 -0.270 25135 4814 1 6 . 1 1 74 74 GLY N N 74 105.500 105.500 107.941 -2.441 25135 4815 1 6 . 1 1 74 74 GLY C C 74 177.100 177.100 175.741 1.359 25135 4816 1 6 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.769 0.231 25135 4817 1 6 . 1 1 74 74 GLY H H 74 8.070 8.070 8.253 -0.183 25135 4818 1 6 . 1 1 75 75 GLU N N 75 123.500 123.500 122.537 0.963 25135 4819 1 6 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.840 0.270 25135 4820 1 6 . 1 1 75 75 GLU C C 75 178.500 178.500 179.105 -0.605 25135 4821 1 6 . 1 1 75 75 GLU CA C 75 58.700 58.700 58.928 -0.228 25135 4822 1 6 . 1 1 75 75 GLU CB C 75 29.900 29.900 28.950 0.951 25135 4823 1 6 . 1 1 75 75 GLU H H 75 8.110 8.110 8.626 -0.516 25135 4824 1 6 . 1 1 76 76 ILE N N 76 120.300 120.300 119.469 0.831 25135 4825 1 6 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.889 -0.069 25135 4826 1 6 . 1 1 76 76 ILE C C 76 178.300 178.300 177.868 0.432 25135 4827 1 6 . 1 1 76 76 ILE CA C 76 65.500 65.500 65.118 0.382 25135 4828 1 6 . 1 1 76 76 ILE CB C 76 37.900 37.900 37.934 -0.034 25135 4829 1 6 . 1 1 76 76 ILE H H 76 8.330 8.330 8.391 -0.061 25135 4830 1 6 . 1 1 77 77 GLU N N 77 119.400 119.400 120.859 -1.459 25135 4831 1 6 . 1 1 77 77 GLU HA H 77 3.920 3.920 4.028 -0.108 25135 4832 1 6 . 1 1 77 77 GLU C C 77 180.200 180.200 178.363 1.837 25135 4833 1 6 . 1 1 77 77 GLU CA C 77 59.700 59.700 59.291 0.409 25135 4834 1 6 . 1 1 77 77 GLU CB C 77 29.300 29.300 29.478 -0.178 25135 4835 1 6 . 1 1 77 77 GLU H H 77 7.860 7.860 7.810 0.050 25135 4836 1 6 . 1 1 78 78 LYS N N 78 121.600 121.600 117.560 4.040 25135 4837 1 6 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.078 -0.178 25135 4838 1 6 . 1 1 78 78 LYS C C 78 179.200 179.200 178.454 0.746 25135 4839 1 6 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.438 1.462 25135 4840 1 6 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.332 -0.032 25135 4841 1 6 . 1 1 78 78 LYS H H 78 7.760 7.760 8.217 -0.457 25135 4842 1 6 . 1 1 79 79 PHE N N 79 115.900 115.900 116.736 -0.836 25135 4843 1 6 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.570 0.110 25135 4844 1 6 . 1 1 79 79 PHE C C 79 174.100 174.100 176.693 -2.593 25135 4845 1 6 . 1 1 79 79 PHE CA C 79 58.200 58.200 57.745 0.455 25135 4846 1 6 . 1 1 79 79 PHE CB C 79 36.900 36.900 39.377 -2.477 25135 4847 1 6 . 1 1 79 79 PHE H H 79 8.170 8.170 7.460 0.710 25135 4848 1 6 . 1 1 80 80 SER N N 80 113.300 113.300 114.785 -1.485 25135 4849 1 6 . 1 1 80 80 SER HA H 80 4.500 4.500 4.208 0.292 25135 4850 1 6 . 1 1 80 80 SER C C 80 173.700 173.700 174.501 -0.801 25135 4851 1 6 . 1 1 80 80 SER CA C 80 60.500 60.500 60.944 -0.444 25135 4852 1 6 . 1 1 80 80 SER CB C 80 63.400 63.400 63.517 -0.117 25135 4853 1 6 . 1 1 80 80 SER H H 80 7.700 7.700 7.543 0.157 25135 4854 1 6 . 1 1 81 81 ASN N N 81 119.500 119.500 118.617 0.883 25135 4855 1 6 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.743 0.227 25135 4856 1 6 . 1 1 81 81 ASN CA C 81 52.100 52.100 53.116 -1.016 25135 4857 1 6 . 1 1 81 81 ASN CB C 81 40.300 40.300 39.111 1.189 25135 4858 1 6 . 1 1 81 81 ASN H H 81 7.290 7.290 7.955 -0.665 25135 4859 1 6 . 1 1 82 82 ARG N N 82 127.400 127.400 127.589 -0.189 25135 4860 1 6 . 1 1 82 82 ARG HA H 82 3.590 3.590 3.165 0.425 25135 4861 1 6 . 1 1 82 82 ARG C C 82 177.700 177.700 177.881 -0.181 25135 4862 1 6 . 1 1 82 82 ARG CA C 82 59.800 59.800 59.085 0.715 25135 4863 1 6 . 1 1 82 82 ARG CB C 82 30.100 30.100 29.321 0.779 25135 4864 1 6 . 1 1 82 82 ARG H H 82 9.050 9.050 8.734 0.316 25135 4865 1 6 . 1 1 83 83 SER N N 83 114.600 114.600 112.585 2.015 25135 4866 1 6 . 1 1 83 83 SER HA H 83 3.930 3.930 4.194 -0.264 25135 4867 1 6 . 1 1 83 83 SER C C 83 177.100 177.100 176.018 1.082 25135 4868 1 6 . 1 1 83 83 SER CA C 83 62.200 62.200 61.554 0.645 25135 4869 1 6 . 1 1 83 83 SER CB C 83 62.000 62.000 62.831 -0.831 25135 4870 1 6 . 1 1 83 83 SER H H 83 8.390 8.390 8.322 0.068 25135 4871 1 6 . 1 1 84 84 ASN N N 84 119.700 119.700 119.407 0.293 25135 4872 1 6 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.621 -0.021 25135 4873 1 6 . 1 1 84 84 ASN C C 84 179.100 179.100 177.259 1.841 25135 4874 1 6 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.759 -0.359 25135 4875 1 6 . 1 1 84 84 ASN CB C 84 37.600 37.600 38.739 -1.139 25135 4876 1 6 . 1 1 84 84 ASN H H 84 7.980 7.980 8.186 -0.206 25135 4877 1 6 . 1 1 85 85 ILE N N 85 122.100 122.100 122.446 -0.346 25135 4878 1 6 . 1 1 85 85 ILE HA H 85 3.820 3.820 3.947 -0.127 25135 4879 1 6 . 1 1 85 85 ILE C C 85 176.900 176.900 177.736 -0.836 25135 4880 1 6 . 1 1 85 85 ILE CA C 85 64.700 64.700 65.329 -0.629 25135 4881 1 6 . 1 1 85 85 ILE CB C 85 37.400 37.400 36.614 0.786 25135 4882 1 6 . 1 1 85 85 ILE H H 85 7.760 7.760 7.613 0.147 25135 4883 1 6 . 1 1 86 86 CYS N N 86 119.200 119.200 117.102 2.098 25135 4884 1 6 . 1 1 86 86 CYS HA H 86 3.940 3.940 4.024 -0.084 25135 4885 1 6 . 1 1 86 86 CYS C C 86 177.400 177.400 177.324 0.076 25135 4886 1 6 . 1 1 86 86 CYS CA C 86 63.800 63.800 64.140 -0.340 25135 4887 1 6 . 1 1 86 86 CYS CB C 86 26.900 26.900 26.972 -0.072 25135 4888 1 6 . 1 1 86 86 CYS H H 86 8.330 8.330 7.949 0.382 25135 4889 1 6 . 1 1 87 87 ARG N N 87 119.200 119.200 119.345 -0.145 25135 4890 1 6 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.231 -0.211 25135 4891 1 6 . 1 1 87 87 ARG C C 87 178.500 178.500 178.743 -0.243 25135 4892 1 6 . 1 1 87 87 ARG CA C 87 59.500 59.500 59.307 0.193 25135 4893 1 6 . 1 1 87 87 ARG CB C 87 30.300 30.300 30.344 -0.044 25135 4894 1 6 . 1 1 87 87 ARG H H 87 7.900 7.900 7.501 0.399 25135 4895 1 6 . 1 1 88 88 PHE N N 88 120.300 120.300 121.758 -1.458 25135 4896 1 6 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.382 -0.162 25135 4897 1 6 . 1 1 88 88 PHE C C 88 177.200 177.200 177.117 0.083 25135 4898 1 6 . 1 1 88 88 PHE CA C 88 61.500 61.500 60.574 0.926 25135 4899 1 6 . 1 1 88 88 PHE CB C 88 39.800 39.800 38.862 0.938 25135 4900 1 6 . 1 1 88 88 PHE H H 88 7.760 7.760 8.642 -0.882 25135 4901 1 6 . 1 1 89 89 LEU N N 89 117.900 117.900 119.557 -1.657 25135 4902 1 6 . 1 1 89 89 LEU HA H 89 3.640 3.640 2.948 0.692 25135 4903 1 6 . 1 1 89 89 LEU C C 89 178.700 178.700 178.578 0.122 25135 4904 1 6 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.643 -0.243 25135 4905 1 6 . 1 1 89 89 LEU CB C 89 41.600 41.600 40.714 0.886 25135 4906 1 6 . 1 1 89 89 LEU H H 89 8.590 8.590 8.447 0.143 25135 4907 1 6 . 1 1 90 90 THR N N 90 112.000 112.000 112.122 -0.122 25135 4908 1 6 . 1 1 90 90 THR HA H 90 3.980 3.980 4.034 -0.054 25135 4909 1 6 . 1 1 90 90 THR C C 90 174.900 174.900 176.329 -1.429 25135 4910 1 6 . 1 1 90 90 THR CA C 90 65.200 65.200 65.264 -0.064 25135 4911 1 6 . 1 1 90 90 THR CB C 90 69.300 69.300 69.016 0.284 25135 4912 1 6 . 1 1 90 90 THR H H 90 7.690 7.690 7.434 0.256 25135 4913 1 6 . 1 1 91 91 ALA N N 91 122.400 122.400 122.781 -0.381 25135 4914 1 6 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.241 0.029 25135 4915 1 6 . 1 1 91 91 ALA C C 91 177.500 177.500 177.366 0.134 25135 4916 1 6 . 1 1 91 91 ALA CA C 91 53.000 53.000 53.038 -0.038 25135 4917 1 6 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.451 0.549 25135 4918 1 6 . 1 1 91 91 ALA H H 91 7.220 7.220 7.813 -0.593 25135 4919 1 6 . 1 1 92 92 SER N N 92 112.900 112.900 112.454 0.446 25135 4920 1 6 . 1 1 92 92 SER HA H 92 4.130 4.130 4.208 -0.078 25135 4921 1 6 . 1 1 92 92 SER CA C 92 57.600 57.600 59.052 -1.452 25135 4922 1 6 . 1 1 92 92 SER CB C 92 64.000 64.000 60.944 3.055 25135 4923 1 6 . 1 1 92 92 SER H H 92 7.510 7.510 8.091 -0.581 25135 4924 1 6 . 1 1 93 93 GLN N N 93 125.700 125.700 121.359 4.341 25135 4925 1 6 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.176 0.024 25135 4926 1 6 . 1 1 93 93 GLN C C 93 176.700 176.700 175.841 0.859 25135 4927 1 6 . 1 1 93 93 GLN CA C 93 57.700 57.700 58.695 -0.995 25135 4928 1 6 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.293 -0.293 25135 4929 1 6 . 1 1 93 93 GLN H H 93 8.710 8.710 8.345 0.364 25135 4930 1 6 . 1 1 94 94 ASP N N 94 116.400 116.400 115.674 0.726 25135 4931 1 6 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.891 -0.331 25135 4932 1 6 . 1 1 94 94 ASP CA C 94 54.000 54.000 53.828 0.172 25135 4933 1 6 . 1 1 94 94 ASP CB C 94 41.700 41.700 41.748 -0.048 25135 4934 1 6 . 1 1 94 94 ASP H H 94 7.800 7.800 8.762 -0.962 25135 4935 1 6 . 1 1 95 95 LYS N N 95 114.300 114.300 115.595 -1.295 25135 4936 1 6 . 1 1 95 95 LYS H H 95 8.290 8.290 8.850 -0.560 25135 4937 1 6 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.448 -0.128 25135 4938 1 6 . 1 1 96 96 ILE C C 96 177.000 177.000 176.965 0.035 25135 4939 1 6 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.821 0.979 25135 4940 1 6 . 1 1 96 96 ILE CB C 96 38.100 38.100 39.888 -1.788 25135 4941 1 6 . 1 1 97 97 LEU N N 97 131.100 131.100 128.302 2.798 25135 4942 1 6 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.435 -0.315 25135 4943 1 6 . 1 1 97 97 LEU C C 97 177.200 177.200 177.412 -0.212 25135 4944 1 6 . 1 1 97 97 LEU CA C 97 58.000 58.000 58.734 -0.734 25135 4945 1 6 . 1 1 97 97 LEU CB C 97 42.900 42.900 41.762 1.138 25135 4946 1 6 . 1 1 97 97 LEU H H 97 8.620 8.620 8.940 -0.320 25135 4947 1 6 . 1 1 98 98 PHE N N 98 113.600 113.600 111.334 2.266 25135 4948 1 6 . 1 1 98 98 PHE HA H 98 5.100 5.100 4.775 0.325 25135 4949 1 6 . 1 1 98 98 PHE C C 98 175.400 175.400 175.387 0.013 25135 4950 1 6 . 1 1 98 98 PHE CA C 98 55.700 55.700 54.637 1.063 25135 4951 1 6 . 1 1 98 98 PHE CB C 98 37.600 37.600 36.886 0.714 25135 4952 1 6 . 1 1 98 98 PHE H H 98 8.450 8.450 8.080 0.370 25135 4953 1 6 . 1 1 99 99 LYS N N 99 119.500 119.500 124.058 -4.558 25135 4954 1 6 . 1 1 99 99 LYS HA H 99 3.880 3.880 3.755 0.125 25135 4955 1 6 . 1 1 99 99 LYS C C 99 178.900 178.900 177.897 1.003 25135 4956 1 6 . 1 1 99 99 LYS CA C 99 61.100 61.100 60.303 0.797 25135 4957 1 6 . 1 1 99 99 LYS CB C 99 33.500 33.500 32.342 1.158 25135 4958 1 6 . 1 1 99 99 LYS H H 99 6.790 6.790 7.265 -0.475 25135 4959 1 6 . 1 1 100 100 ASP N N 100 117.800 117.800 118.956 -1.156 25135 4960 1 6 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.391 0.219 25135 4961 1 6 . 1 1 100 100 ASP C C 100 179.000 179.000 178.266 0.734 25135 4962 1 6 . 1 1 100 100 ASP CA C 100 57.800 57.800 56.947 0.853 25135 4963 1 6 . 1 1 100 100 ASP CB C 100 40.400 40.400 40.100 0.300 25135 4964 1 6 . 1 1 100 100 ASP H H 100 8.520 8.520 8.637 -0.117 25135 4965 1 6 . 1 1 101 101 VAL N N 101 122.600 122.600 118.092 4.508 25135 4966 1 6 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.859 0.001 25135 4967 1 6 . 1 1 101 101 VAL C C 101 177.100 177.100 177.971 -0.871 25135 4968 1 6 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.245 -0.545 25135 4969 1 6 . 1 1 101 101 VAL CB C 101 32.300 32.300 32.008 0.292 25135 4970 1 6 . 1 1 101 101 VAL H H 101 8.210 8.210 7.756 0.454 25135 4971 1 6 . 1 1 102 102 ASN N N 102 121.000 121.000 118.806 2.194 25135 4972 1 6 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.826 -0.266 25135 4973 1 6 . 1 1 102 102 ASN C C 102 178.500 178.500 178.341 0.159 25135 4974 1 6 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.645 -0.445 25135 4975 1 6 . 1 1 102 102 ASN CB C 102 37.900 37.900 37.795 0.105 25135 4976 1 6 . 1 1 102 102 ASN H H 102 9.060 9.060 8.703 0.357 25135 4977 1 6 . 1 1 103 103 ARG N N 103 120.700 120.700 119.728 0.972 25135 4978 1 6 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.272 -0.112 25135 4979 1 6 . 1 1 103 103 ARG C C 103 177.900 177.900 178.265 -0.365 25135 4980 1 6 . 1 1 103 103 ARG CA C 103 59.100 59.100 59.550 -0.450 25135 4981 1 6 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.583 -0.683 25135 4982 1 6 . 1 1 103 103 ARG H H 103 7.640 7.640 8.414 -0.774 25135 4983 1 6 . 1 1 104 104 LYS N N 104 119.700 119.700 120.738 -1.038 25135 4984 1 6 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.254 -0.064 25135 4985 1 6 . 1 1 104 104 LYS C C 104 179.300 179.300 178.705 0.595 25135 4986 1 6 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.478 0.622 25135 4987 1 6 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.684 -0.184 25135 4988 1 6 . 1 1 104 104 LYS H H 104 7.960 7.960 7.756 0.204 25135 4989 1 6 . 1 1 105 105 LEU N N 105 118.200 118.200 121.473 -3.273 25135 4990 1 6 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.204 -0.164 25135 4991 1 6 . 1 1 105 105 LEU C C 105 178.400 178.400 178.548 -0.148 25135 4992 1 6 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.236 0.264 25135 4993 1 6 . 1 1 105 105 LEU CB C 105 42.500 42.500 42.113 0.387 25135 4994 1 6 . 1 1 105 105 LEU H H 105 8.990 8.990 9.081 -0.091 25135 4995 1 6 . 1 1 106 106 SER N N 106 111.700 111.700 114.093 -2.393 25135 4996 1 6 . 1 1 106 106 SER HA H 106 3.870 3.870 4.470 -0.600 25135 4997 1 6 . 1 1 106 106 SER C C 106 177.500 177.500 176.921 0.579 25135 4998 1 6 . 1 1 106 106 SER CA C 106 61.400 61.400 61.919 -0.519 25135 4999 1 6 . 1 1 106 106 SER CB C 106 62.600 62.600 62.519 0.081 25135 5000 1 6 . 1 1 106 106 SER H H 106 7.980 7.980 7.881 0.099 25135 5001 1 6 . 1 1 107 107 ASP N N 107 122.000 122.000 123.249 -1.249 25135 5002 1 6 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.388 0.052 25135 5003 1 6 . 1 1 107 107 ASP C C 107 179.700 179.700 178.813 0.887 25135 5004 1 6 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.398 0.503 25135 5005 1 6 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.328 0.272 25135 5006 1 6 . 1 1 107 107 ASP H H 107 8.500 8.500 7.730 0.770 25135 5007 1 6 . 1 1 108 108 VAL N N 108 119.200 119.200 119.128 0.072 25135 5008 1 6 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.749 0.261 25135 5009 1 6 . 1 1 108 108 VAL C C 108 178.400 178.400 177.662 0.738 25135 5010 1 6 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.606 -1.006 25135 5011 1 6 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.095 0.405 25135 5012 1 6 . 1 1 108 108 VAL H H 108 8.830 8.830 7.774 1.056 25135 5013 1 6 . 1 1 109 109 TRP N N 109 121.900 121.900 121.589 0.311 25135 5014 1 6 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.966 0.304 25135 5015 1 6 . 1 1 109 109 TRP C C 109 178.000 178.000 177.796 0.204 25135 5016 1 6 . 1 1 109 109 TRP CA C 109 60.100 60.100 59.558 0.542 25135 5017 1 6 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.506 0.194 25135 5018 1 6 . 1 1 109 109 TRP H H 109 8.710 8.710 7.920 0.790 25135 5019 1 6 . 1 1 110 110 LYS N N 110 119.500 119.500 118.340 1.160 25135 5020 1 6 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.775 -0.145 25135 5021 1 6 . 1 1 110 110 LYS C C 110 178.000 178.000 179.251 -1.251 25135 5022 1 6 . 1 1 110 110 LYS CA C 110 60.500 60.500 59.358 1.142 25135 5023 1 6 . 1 1 110 110 LYS CB C 110 32.200 32.200 31.625 0.575 25135 5024 1 6 . 1 1 110 110 LYS H H 110 8.010 8.010 7.908 0.102 25135 5025 1 6 . 1 1 111 111 GLU N N 111 116.700 116.700 117.942 -1.242 25135 5026 1 6 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.130 -0.120 25135 5027 1 6 . 1 1 111 111 GLU C C 111 178.400 178.400 178.731 -0.331 25135 5028 1 6 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.206 0.593 25135 5029 1 6 . 1 1 111 111 GLU CB C 111 30.400 30.400 29.999 0.401 25135 5030 1 6 . 1 1 111 111 GLU H H 111 7.000 7.000 7.696 -0.696 25135 5031 1 6 . 1 1 112 112 LEU N N 112 119.000 119.000 121.356 -2.356 25135 5032 1 6 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.176 -0.436 25135 5033 1 6 . 1 1 112 112 LEU C C 112 177.600 177.600 177.563 0.037 25135 5034 1 6 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.148 0.652 25135 5035 1 6 . 1 1 112 112 LEU CB C 112 42.200 42.200 42.049 0.151 25135 5036 1 6 . 1 1 112 112 LEU H H 112 8.380 8.380 8.223 0.157 25135 5037 1 6 . 1 1 113 113 SER N N 113 113.100 113.100 114.850 -1.750 25135 5038 1 6 . 1 1 113 113 SER HA H 113 3.190 3.190 3.436 -0.246 25135 5039 1 6 . 1 1 113 113 SER C C 113 176.300 176.300 175.966 0.334 25135 5040 1 6 . 1 1 113 113 SER CA C 113 61.600 61.600 61.101 0.499 25135 5041 1 6 . 1 1 113 113 SER CB C 113 61.800 61.800 61.953 -0.152 25135 5042 1 6 . 1 1 113 113 SER H H 113 8.490 8.490 8.039 0.451 25135 5043 1 6 . 1 1 114 114 LEU N N 114 121.500 121.500 120.893 0.607 25135 5044 1 6 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.073 -0.053 25135 5045 1 6 . 1 1 114 114 LEU C C 114 179.100 179.100 177.234 1.866 25135 5046 1 6 . 1 1 114 114 LEU CA C 114 58.000 58.000 56.999 1.001 25135 5047 1 6 . 1 1 114 114 LEU CB C 114 41.800 41.800 40.660 1.140 25135 5048 1 6 . 1 1 114 114 LEU H H 114 6.810 6.810 7.099 -0.289 25135 5049 1 6 . 1 1 115 115 LEU N N 115 118.200 118.200 118.351 -0.151 25135 5050 1 6 . 1 1 115 115 LEU HA H 115 4.060 4.060 4.017 0.043 25135 5051 1 6 . 1 1 115 115 LEU C C 115 179.600 179.600 179.211 0.389 25135 5052 1 6 . 1 1 115 115 LEU CA C 115 57.700 57.700 56.836 0.864 25135 5053 1 6 . 1 1 115 115 LEU CB C 115 43.100 43.100 42.072 1.028 25135 5054 1 6 . 1 1 115 115 LEU H H 115 7.270 7.270 7.041 0.229 25135 5055 1 6 . 1 1 116 116 LEU N N 116 118.700 118.700 119.913 -1.213 25135 5056 1 6 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.788 0.062 25135 5057 1 6 . 1 1 116 116 LEU C C 116 179.300 179.300 178.920 0.380 25135 5058 1 6 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.233 -0.633 25135 5059 1 6 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.685 -0.285 25135 5060 1 6 . 1 1 116 116 LEU H H 116 8.440 8.440 8.296 0.144 25135 5061 1 6 . 1 1 117 117 GLN N N 117 119.500 119.500 116.010 3.490 25135 5062 1 6 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.279 0.061 25135 5063 1 6 . 1 1 117 117 GLN C C 117 178.200 178.200 178.245 -0.045 25135 5064 1 6 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.327 0.473 25135 5065 1 6 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.236 0.564 25135 5066 1 6 . 1 1 117 117 GLN H H 117 8.030 8.030 7.980 0.050 25135 5067 1 6 . 1 1 118 118 VAL N N 118 117.600 117.600 120.603 -3.003 25135 5068 1 6 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.798 0.042 25135 5069 1 6 . 1 1 118 118 VAL C C 118 177.900 177.900 177.215 0.685 25135 5070 1 6 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.150 0.250 25135 5071 1 6 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.741 1.159 25135 5072 1 6 . 1 1 118 118 VAL H H 118 8.110 8.110 7.912 0.198 25135 5073 1 6 . 1 1 119 119 GLU N N 119 116.900 116.900 117.211 -0.311 25135 5074 1 6 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.167 0.143 25135 5075 1 6 . 1 1 119 119 GLU C C 119 177.700 177.700 178.790 -1.090 25135 5076 1 6 . 1 1 119 119 GLU CA C 119 58.400 58.400 58.388 0.012 25135 5077 1 6 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.610 1.090 25135 5078 1 6 . 1 1 119 119 GLU H H 119 8.620 8.620 8.236 0.384 25135 5079 1 6 . 1 1 120 120 GLN N N 120 113.300 113.300 116.635 -3.335 25135 5080 1 6 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.360 0.090 25135 5081 1 6 . 1 1 120 120 GLN C C 120 174.700 174.700 176.464 -1.764 25135 5082 1 6 . 1 1 120 120 GLN CA C 120 54.500 54.500 56.115 -1.615 25135 5083 1 6 . 1 1 120 120 GLN CB C 120 28.600 28.600 30.043 -1.443 25135 5084 1 6 . 1 1 120 120 GLN H H 120 7.350 7.350 8.140 -0.790 25135 5085 1 6 . 1 1 121 121 ARG N N 121 114.800 114.800 114.204 0.596 25135 5086 1 6 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.147 -0.027 25135 5087 1 6 . 1 1 121 121 ARG C C 121 175.600 175.600 175.601 -0.001 25135 5088 1 6 . 1 1 121 121 ARG CA C 121 56.600 56.600 57.007 -0.407 25135 5089 1 6 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.182 0.518 25135 5090 1 6 . 1 1 121 121 ARG H H 121 7.410 7.410 7.884 -0.474 25135 5091 1 6 . 1 1 122 122 MET N N 122 120.300 120.300 117.789 2.511 25135 5092 1 6 . 1 1 122 122 MET HA H 122 4.600 4.600 4.829 -0.229 25135 5093 1 6 . 1 1 122 122 MET CA C 122 53.700 53.700 53.152 0.548 25135 5094 1 6 . 1 1 122 122 MET CB C 122 34.700 34.700 32.433 2.267 25135 5095 1 6 . 1 1 122 122 MET H H 122 7.760 7.760 7.456 0.304 25135 5096 1 6 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.329 0.151 25135 5097 1 6 . 1 1 123 123 PRO C C 123 176.300 176.300 176.018 0.282 25135 5098 1 6 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.353 -0.553 25135 5099 1 6 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.575 -0.275 25135 5100 1 6 . 1 1 124 124 VAL N N 124 120.000 120.000 121.153 -1.153 25135 5101 1 6 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.371 -0.291 25135 5102 1 6 . 1 1 124 124 VAL C C 124 175.800 175.800 175.367 0.433 25135 5103 1 6 . 1 1 124 124 VAL CA C 124 61.700 61.700 61.741 -0.041 25135 5104 1 6 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.055 -0.955 25135 5105 1 6 . 1 1 124 124 VAL H H 124 8.080 8.080 8.063 0.017 25135 5106 1 6 . 1 1 125 125 SER N N 125 121.200 121.200 118.908 2.292 25135 5107 1 6 . 1 1 125 125 SER HA H 125 4.800 4.800 4.831 -0.031 25135 5108 1 6 . 1 1 125 125 SER CA C 125 56.200 56.200 56.133 0.067 25135 5109 1 6 . 1 1 125 125 SER CB C 125 63.700 63.700 63.895 -0.195 25135 5110 1 6 . 1 1 125 125 SER H H 125 8.380 8.380 8.075 0.305 25135 5111 1 6 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.379 0.101 25135 5112 1 6 . 1 1 126 126 PRO C C 126 177.100 177.100 175.980 1.120 25135 5113 1 6 . 1 1 126 126 PRO CA C 126 63.400 63.400 63.333 0.067 25135 5114 1 6 . 1 1 126 126 PRO CB C 126 31.900 31.900 30.164 1.736 25135 5115 1 6 . 1 1 127 127 ILE N N 127 119.900 119.900 120.641 -0.741 25135 5116 1 6 . 1 1 127 127 ILE HA H 127 4.140 4.140 4.113 0.027 25135 5117 1 6 . 1 1 127 127 ILE C C 127 176.300 176.300 177.399 -1.099 25135 5118 1 6 . 1 1 127 127 ILE CA C 127 61.300 61.300 62.064 -0.764 25135 5119 1 6 . 1 1 127 127 ILE CB C 127 38.800 38.800 35.476 3.324 25135 5120 1 6 . 1 1 127 127 ILE H H 127 8.050 8.050 8.814 -0.764 25135 5121 1 6 . 1 1 128 128 SER N N 128 119.000 119.000 116.610 2.390 25135 5122 1 6 . 1 1 128 128 SER HA H 128 4.400 4.400 4.067 0.333 25135 5123 1 6 . 1 1 128 128 SER C C 128 174.600 174.600 175.962 -1.362 25135 5124 1 6 . 1 1 128 128 SER CA C 128 58.300 58.300 61.138 -2.838 25135 5125 1 6 . 1 1 128 128 SER CB C 128 63.600 63.600 63.376 0.224 25135 5126 1 6 . 1 1 128 128 SER H H 128 8.230 8.230 8.789 -0.559 25135 5127 1 6 . 1 1 129 129 GLN N N 129 122.600 122.600 117.658 4.942 25135 5128 1 6 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.220 0.010 25135 5129 1 6 . 1 1 129 129 GLN C C 129 176.200 176.200 176.823 -0.623 25135 5130 1 6 . 1 1 129 129 GLN CA C 129 56.300 56.300 56.940 -0.640 25135 5131 1 6 . 1 1 129 129 GLN CB C 129 29.100 29.100 28.986 0.114 25135 5132 1 6 . 1 1 129 129 GLN H H 129 8.340 8.340 8.210 0.130 25135 5133 1 6 . 1 1 130 130 GLY N N 130 109.200 109.200 106.274 2.926 25135 5134 1 6 . 1 1 130 130 GLY C C 130 175.100 175.100 173.876 1.224 25135 5135 1 6 . 1 1 130 130 GLY CA C 130 45.200 45.200 44.953 0.248 25135 5136 1 6 . 1 1 130 130 GLY H H 130 8.150 8.150 8.306 -0.156 25135 5137 1 6 . 1 1 131 131 ALA N N 131 124.700 124.700 123.478 1.222 25135 5138 1 6 . 1 1 131 131 ALA HA H 131 4.230 4.230 2.902 1.328 25135 5139 1 6 . 1 1 131 131 ALA C C 131 178.700 178.700 177.305 1.395 25135 5140 1 6 . 1 1 131 131 ALA CA C 131 53.800 53.800 51.979 1.821 25135 5141 1 6 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.690 0.210 25135 5142 1 6 . 1 1 131 131 ALA H H 131 8.070 8.070 7.953 0.117 25135 5143 1 6 . 1 1 132 132 SER N N 132 113.200 113.200 114.149 -0.949 25135 5144 1 6 . 1 1 132 132 SER HA H 132 4.580 4.580 4.379 0.201 25135 5145 1 6 . 1 1 132 132 SER C C 132 175.700 175.700 175.789 -0.089 25135 5146 1 6 . 1 1 132 132 SER CA C 132 58.500 58.500 58.818 -0.318 25135 5147 1 6 . 1 1 132 132 SER CB C 132 63.800 63.800 62.229 1.571 25135 5148 1 6 . 1 1 132 132 SER H H 132 8.340 8.340 7.989 0.351 25135 5149 1 6 . 1 1 133 133 TRP N N 133 122.800 122.800 122.832 -0.032 25135 5150 1 6 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.356 0.174 25135 5151 1 6 . 1 1 133 133 TRP C C 133 178.200 178.200 177.717 0.483 25135 5152 1 6 . 1 1 133 133 TRP CA C 133 58.900 58.900 59.328 -0.428 25135 5153 1 6 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.086 2.114 25135 5154 1 6 . 1 1 133 133 TRP H H 133 8.380 8.380 7.185 1.195 25135 5155 1 6 . 1 1 134 134 ALA N N 134 120.600 120.600 120.061 0.539 25135 5156 1 6 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.921 0.329 25135 5157 1 6 . 1 1 134 134 ALA C C 134 180.700 180.700 179.773 0.927 25135 5158 1 6 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.156 0.544 25135 5159 1 6 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.955 0.045 25135 5160 1 6 . 1 1 134 134 ALA H H 134 8.420 8.420 8.559 -0.139 25135 5161 1 6 . 1 1 135 135 GLN N N 135 118.900 118.900 117.820 1.080 25135 5162 1 6 . 1 1 135 135 GLN HA H 135 4.100 4.100 4.060 0.040 25135 5163 1 6 . 1 1 135 135 GLN C C 135 179.200 179.200 178.245 0.955 25135 5164 1 6 . 1 1 135 135 GLN CA C 135 59.000 59.000 58.403 0.597 25135 5165 1 6 . 1 1 135 135 GLN CB C 135 28.500 28.500 28.484 0.016 25135 5166 1 6 . 1 1 135 135 GLN H H 135 7.860 7.860 7.802 0.058 25135 5167 1 6 . 1 1 136 136 GLU N N 136 120.900 120.900 119.575 1.325 25135 5168 1 6 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.251 -0.431 25135 5169 1 6 . 1 1 136 136 GLU C C 136 177.800 177.800 178.959 -1.159 25135 5170 1 6 . 1 1 136 136 GLU CA C 136 59.000 59.000 58.716 0.284 25135 5171 1 6 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.540 0.460 25135 5172 1 6 . 1 1 136 136 GLU H H 136 7.720 7.720 7.867 -0.147 25135 5173 1 6 . 1 1 137 137 ASP N N 137 118.200 118.200 120.408 -2.208 25135 5174 1 6 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.447 0.013 25135 5175 1 6 . 1 1 137 137 ASP C C 137 178.100 178.100 178.454 -0.354 25135 5176 1 6 . 1 1 137 137 ASP CA C 137 57.200 57.200 57.555 -0.355 25135 5177 1 6 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.540 -0.440 25135 5178 1 6 . 1 1 137 137 ASP H H 137 8.800 8.800 8.839 -0.039 25135 5179 1 6 . 1 1 138 138 GLN N N 138 116.900 116.900 118.746 -1.846 25135 5180 1 6 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.066 -0.186 25135 5181 1 6 . 1 1 138 138 GLN C C 138 178.400 178.400 178.189 0.211 25135 5182 1 6 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.812 0.088 25135 5183 1 6 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.132 0.568 25135 5184 1 6 . 1 1 138 138 GLN H H 138 7.510 7.510 7.718 -0.208 25135 5185 1 6 . 1 1 139 139 GLN N N 139 119.500 119.500 119.602 -0.102 25135 5186 1 6 . 1 1 139 139 GLN HA H 139 4.110 4.110 4.035 0.075 25135 5187 1 6 . 1 1 139 139 GLN C C 139 178.900 178.900 178.714 0.186 25135 5188 1 6 . 1 1 139 139 GLN CA C 139 58.900 58.900 58.864 0.036 25135 5189 1 6 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.657 -0.057 25135 5190 1 6 . 1 1 139 139 GLN H H 139 7.520 7.520 7.627 -0.107 25135 5191 1 6 . 1 1 140 140 ASP N N 140 121.700 121.700 118.353 3.347 25135 5192 1 6 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.623 -0.603 25135 5193 1 6 . 1 1 140 140 ASP C C 140 177.700 177.700 177.794 -0.094 25135 5194 1 6 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.278 1.022 25135 5195 1 6 . 1 1 140 140 ASP CB C 140 40.700 40.700 40.806 -0.106 25135 5196 1 6 . 1 1 140 140 ASP H H 140 9.130 9.130 8.099 1.031 25135 5197 1 6 . 1 1 141 141 ALA N N 141 121.000 121.000 124.091 -3.091 25135 5198 1 6 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.153 0.097 25135 5199 1 6 . 1 1 141 141 ALA C C 141 180.800 180.800 179.134 1.666 25135 5200 1 6 . 1 1 141 141 ALA CA C 141 55.400 55.400 55.371 0.029 25135 5201 1 6 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.615 0.885 25135 5202 1 6 . 1 1 141 141 ALA H H 141 8.720 8.720 7.823 0.897 25135 5203 1 6 . 1 1 142 142 ASP N N 142 119.100 119.100 117.999 1.101 25135 5204 1 6 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.301 0.129 25135 5205 1 6 . 1 1 142 142 ASP C C 142 178.600 178.600 179.053 -0.453 25135 5206 1 6 . 1 1 142 142 ASP CA C 142 57.600 57.600 57.962 -0.362 25135 5207 1 6 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.212 1.088 25135 5208 1 6 . 1 1 142 142 ASP H H 142 7.850 7.850 8.612 -0.762 25135 5209 1 6 . 1 1 143 143 GLU N N 143 119.500 119.500 118.576 0.924 25135 5210 1 6 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.144 -0.114 25135 5211 1 6 . 1 1 143 143 GLU C C 143 180.100 180.100 178.629 1.471 25135 5212 1 6 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.618 1.081 25135 5213 1 6 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.773 -0.173 25135 5214 1 6 . 1 1 143 143 GLU H H 143 7.860 7.860 7.656 0.204 25135 5215 1 6 . 1 1 144 144 ASP N N 144 121.000 121.000 121.323 -0.323 25135 5216 1 6 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.354 0.296 25135 5217 1 6 . 1 1 144 144 ASP C C 144 179.500 179.500 178.329 1.171 25135 5218 1 6 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.703 -0.203 25135 5219 1 6 . 1 1 144 144 ASP CB C 144 41.100 41.100 40.538 0.561 25135 5220 1 6 . 1 1 144 144 ASP H H 144 8.840 8.840 8.233 0.607 25135 5221 1 6 . 1 1 145 145 ARG N N 145 121.400 121.400 118.087 3.313 25135 5222 1 6 . 1 1 145 145 ARG HA H 145 4.130 4.130 4.018 0.112 25135 5223 1 6 . 1 1 145 145 ARG C C 145 178.700 178.700 179.065 -0.365 25135 5224 1 6 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.353 0.147 25135 5225 1 6 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.709 -0.109 25135 5226 1 6 . 1 1 145 145 ARG H H 145 8.510 8.510 8.182 0.328 25135 5227 1 6 . 1 1 146 146 ARG N N 146 119.400 119.400 119.335 0.065 25135 5228 1 6 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.258 -0.148 25135 5229 1 6 . 1 1 146 146 ARG C C 146 178.400 178.400 177.556 0.844 25135 5230 1 6 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.243 1.157 25135 5231 1 6 . 1 1 146 146 ARG CB C 146 30.200 30.200 30.193 0.007 25135 5232 1 6 . 1 1 146 146 ARG H H 146 7.680 7.680 7.861 -0.181 25135 5233 1 6 . 1 1 147 147 ALA N N 147 120.300 120.300 123.219 -2.919 25135 5234 1 6 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.254 0.056 25135 5235 1 6 . 1 1 147 147 ALA C C 147 179.500 179.500 179.939 -0.439 25135 5236 1 6 . 1 1 147 147 ALA CA C 147 54.100 54.100 54.686 -0.586 25135 5237 1 6 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.556 0.544 25135 5238 1 6 . 1 1 147 147 ALA H H 147 7.840 7.840 7.838 0.002 25135 5239 1 6 . 1 1 148 148 PHE N N 148 119.900 119.900 118.888 1.012 25135 5240 1 6 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.564 -0.174 25135 5241 1 6 . 1 1 148 148 PHE C C 148 176.900 176.900 176.729 0.171 25135 5242 1 6 . 1 1 148 148 PHE CA C 148 60.500 60.500 58.247 2.253 25135 5243 1 6 . 1 1 148 148 PHE CB C 148 39.700 39.700 37.895 1.806 25135 5244 1 6 . 1 1 148 148 PHE H H 148 8.210 8.210 8.728 -0.518 25135 5245 1 6 . 1 1 149 149 GLN N N 149 118.500 118.500 119.078 -0.578 25135 5246 1 6 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.578 0.552 25135 5247 1 6 . 1 1 149 149 GLN C C 149 176.400 176.400 176.874 -0.474 25135 5248 1 6 . 1 1 149 149 GLN CA C 149 56.900 56.900 57.736 -0.836 25135 5249 1 6 . 1 1 149 149 GLN CB C 149 28.900 28.900 28.691 0.209 25135 5250 1 6 . 1 1 149 149 GLN H H 149 7.960 7.960 7.710 0.250 25135 5251 1 6 . 1 1 150 150 MET N N 150 118.000 118.000 116.435 1.565 25135 5252 1 6 . 1 1 150 150 MET HA H 150 4.360 4.360 4.488 -0.128 25135 5253 1 6 . 1 1 150 150 MET C C 150 176.300 176.300 175.122 1.178 25135 5254 1 6 . 1 1 150 150 MET CA C 150 56.000 56.000 55.626 0.374 25135 5255 1 6 . 1 1 150 150 MET CB C 150 32.800 32.800 34.652 -1.852 25135 5256 1 6 . 1 1 150 150 MET H H 150 7.760 7.760 7.725 0.035 25135 5257 1 6 . 1 1 151 151 LEU N N 151 121.200 121.200 120.367 0.833 25135 5258 1 6 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.737 -0.467 25135 5259 1 6 . 1 1 151 151 LEU C C 151 177.100 177.100 176.113 0.987 25135 5260 1 6 . 1 1 151 151 LEU CA C 151 55.400 55.400 55.612 -0.212 25135 5261 1 6 . 1 1 151 151 LEU CB C 151 42.300 42.300 45.086 -2.786 25135 5262 1 6 . 1 1 151 151 LEU H H 151 7.690 7.690 8.509 -0.819 25135 5263 1 6 . 1 1 152 152 ARG N N 152 121.800 121.800 116.594 5.206 25135 5264 1 6 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.548 -0.308 25135 5265 1 6 . 1 1 152 152 ARG C C 152 176.000 176.000 174.885 1.115 25135 5266 1 6 . 1 1 152 152 ARG CA C 152 56.200 56.200 54.897 1.303 25135 5267 1 6 . 1 1 152 152 ARG CB C 152 30.900 30.900 33.761 -2.861 25135 5268 1 6 . 1 1 152 152 ARG H H 152 8.120 8.120 8.225 -0.105 25135 5269 1 6 . 1 1 153 153 ARG N N 153 123.100 123.100 121.491 1.609 25135 5270 1 6 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.306 0.054 25135 5271 1 6 . 1 1 153 153 ARG C C 153 174.900 174.900 174.720 0.180 25135 5272 1 6 . 1 1 153 153 ARG CA C 153 56.000 56.000 56.536 -0.536 25135 5273 1 6 . 1 1 153 153 ARG CB C 153 31.000 31.000 28.772 2.228 25135 5274 1 6 . 1 1 153 153 ARG H H 153 8.380 8.380 8.781 -0.401 25135 5275 1 7 . 1 1 2 2 GLU N N 2 120.000 120.000 120.230 -0.230 25135 5276 1 7 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.044 -0.064 25135 5277 1 7 . 1 1 2 2 GLU C C 2 178.400 178.400 177.712 0.688 25135 5278 1 7 . 1 1 2 2 GLU CA C 2 59.400 59.400 59.155 0.245 25135 5279 1 7 . 1 1 2 2 GLU CB C 2 29.200 29.200 29.015 0.185 25135 5280 1 7 . 1 1 2 2 GLU H H 2 8.140 8.140 8.855 -0.715 25135 5281 1 7 . 1 1 3 3 ASN N N 3 117.300 117.300 115.203 2.097 25135 5282 1 7 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.722 -0.082 25135 5283 1 7 . 1 1 3 3 ASN C C 3 177.900 177.900 176.601 1.299 25135 5284 1 7 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.414 1.386 25135 5285 1 7 . 1 1 3 3 ASN CB C 3 39.000 39.000 38.175 0.825 25135 5286 1 7 . 1 1 3 3 ASN H H 3 7.960 7.960 8.663 -0.703 25135 5287 1 7 . 1 1 4 4 LEU N N 4 119.700 119.700 122.454 -2.754 25135 5288 1 7 . 1 1 4 4 LEU HA H 4 4.030 4.030 4.004 0.026 25135 5289 1 7 . 1 1 4 4 LEU C C 4 177.900 177.900 178.347 -0.447 25135 5290 1 7 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.590 -0.190 25135 5291 1 7 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.789 0.211 25135 5292 1 7 . 1 1 4 4 LEU H H 4 8.450 8.450 8.149 0.301 25135 5293 1 7 . 1 1 5 5 LYS N N 5 118.200 118.200 115.576 2.624 25135 5294 1 7 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.100 -0.160 25135 5295 1 7 . 1 1 5 5 LYS C C 5 179.200 179.200 179.040 0.160 25135 5296 1 7 . 1 1 5 5 LYS CA C 5 60.000 60.000 58.088 1.912 25135 5297 1 7 . 1 1 5 5 LYS CB C 5 31.900 31.900 31.623 0.277 25135 5298 1 7 . 1 1 5 5 LYS H H 5 7.940 7.940 7.790 0.150 25135 5299 1 7 . 1 1 6 6 HIS N N 6 118.400 118.400 119.772 -1.372 25135 5300 1 7 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.507 -0.087 25135 5301 1 7 . 1 1 6 6 HIS C C 6 178.200 178.200 177.678 0.522 25135 5302 1 7 . 1 1 6 6 HIS CA C 6 59.100 59.100 58.721 0.379 25135 5303 1 7 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.290 0.610 25135 5304 1 7 . 1 1 6 6 HIS H H 6 7.710 7.710 7.856 -0.146 25135 5305 1 7 . 1 1 7 7 ILE N N 7 120.300 120.300 121.395 -1.095 25135 5306 1 7 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.503 -0.063 25135 5307 1 7 . 1 1 7 7 ILE C C 7 176.500 176.500 177.495 -0.995 25135 5308 1 7 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.537 0.463 25135 5309 1 7 . 1 1 7 7 ILE CB C 7 38.700 38.700 37.995 0.705 25135 5310 1 7 . 1 1 7 7 ILE H H 7 7.950 7.950 8.391 -0.441 25135 5311 1 7 . 1 1 8 8 ILE N N 8 120.200 120.200 119.568 0.632 25135 5312 1 7 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.482 0.098 25135 5313 1 7 . 1 1 8 8 ILE C C 8 178.000 178.000 177.994 0.006 25135 5314 1 7 . 1 1 8 8 ILE CA C 8 65.800 65.800 65.859 -0.058 25135 5315 1 7 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.582 1.018 25135 5316 1 7 . 1 1 8 8 ILE H H 8 8.450 8.450 8.917 -0.467 25135 5317 1 7 . 1 1 9 9 THR N N 9 115.400 115.400 114.322 1.078 25135 5318 1 7 . 1 1 9 9 THR HA H 9 3.880 3.880 3.985 -0.105 25135 5319 1 7 . 1 1 9 9 THR C C 9 176.300 176.300 176.367 -0.067 25135 5320 1 7 . 1 1 9 9 THR CA C 9 66.900 66.900 66.175 0.725 25135 5321 1 7 . 1 1 9 9 THR CB C 9 68.800 68.800 68.833 -0.033 25135 5322 1 7 . 1 1 9 9 THR H H 9 8.120 8.120 7.502 0.618 25135 5323 1 7 . 1 1 10 10 LEU N N 10 122.100 122.100 121.421 0.679 25135 5324 1 7 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.127 -0.077 25135 5325 1 7 . 1 1 10 10 LEU C C 10 178.800 178.800 178.302 0.498 25135 5326 1 7 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.764 1.136 25135 5327 1 7 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.163 1.137 25135 5328 1 7 . 1 1 10 10 LEU H H 10 7.950 7.950 7.487 0.463 25135 5329 1 7 . 1 1 11 11 GLY N N 11 105.800 105.800 105.310 0.490 25135 5330 1 7 . 1 1 11 11 GLY C C 11 174.700 174.700 176.243 -1.543 25135 5331 1 7 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.136 0.363 25135 5332 1 7 . 1 1 11 11 GLY H H 11 8.660 8.660 8.580 0.080 25135 5333 1 7 . 1 1 12 12 GLN N N 12 119.600 119.600 119.701 -0.101 25135 5334 1 7 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.357 -0.367 25135 5335 1 7 . 1 1 12 12 GLN C C 12 179.600 179.600 178.644 0.956 25135 5336 1 7 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.648 1.652 25135 5337 1 7 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.342 -0.442 25135 5338 1 7 . 1 1 12 12 GLN H H 12 8.050 8.050 7.394 0.656 25135 5339 1 7 . 1 1 13 13 VAL N N 13 122.600 122.600 121.856 0.744 25135 5340 1 7 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.680 -0.010 25135 5341 1 7 . 1 1 13 13 VAL C C 13 178.500 178.500 177.938 0.562 25135 5342 1 7 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.243 0.457 25135 5343 1 7 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.165 0.736 25135 5344 1 7 . 1 1 13 13 VAL H H 13 8.300 8.300 7.877 0.423 25135 5345 1 7 . 1 1 14 14 ILE N N 14 121.000 121.000 118.946 2.054 25135 5346 1 7 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.496 -0.026 25135 5347 1 7 . 1 1 14 14 ILE C C 14 177.700 177.700 177.407 0.293 25135 5348 1 7 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.379 0.421 25135 5349 1 7 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.642 0.758 25135 5350 1 7 . 1 1 14 14 ILE H H 14 8.480 8.480 8.642 -0.162 25135 5351 1 7 . 1 1 15 15 HIS N N 15 118.900 118.900 118.483 0.417 25135 5352 1 7 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.482 -0.582 25135 5353 1 7 . 1 1 15 15 HIS C C 15 176.200 176.200 177.091 -0.891 25135 5354 1 7 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.042 2.258 25135 5355 1 7 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.282 -0.282 25135 5356 1 7 . 1 1 15 15 HIS H H 15 8.250 8.250 7.601 0.649 25135 5357 1 7 . 1 1 16 16 LYS N N 16 118.500 118.500 120.005 -1.505 25135 5358 1 7 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.678 -0.008 25135 5359 1 7 . 1 1 16 16 LYS C C 16 179.200 179.200 178.845 0.355 25135 5360 1 7 . 1 1 16 16 LYS CA C 16 59.500 59.500 59.150 0.350 25135 5361 1 7 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.177 0.323 25135 5362 1 7 . 1 1 16 16 LYS H H 16 7.820 7.820 8.160 -0.340 25135 5363 1 7 . 1 1 17 17 ARG N N 17 117.600 117.600 119.306 -1.706 25135 5364 1 7 . 1 1 17 17 ARG HA H 17 3.960 3.960 4.244 -0.284 25135 5365 1 7 . 1 1 17 17 ARG C C 17 180.600 180.600 178.523 2.077 25135 5366 1 7 . 1 1 17 17 ARG CA C 17 59.200 59.200 59.107 0.093 25135 5367 1 7 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.201 0.299 25135 5368 1 7 . 1 1 17 17 ARG H H 17 8.330 8.330 8.869 -0.539 25135 5369 1 7 . 1 1 18 18 CYS N N 18 118.100 118.100 115.195 2.905 25135 5370 1 7 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.226 -0.336 25135 5371 1 7 . 1 1 18 18 CYS C C 18 177.300 177.300 176.389 0.911 25135 5372 1 7 . 1 1 18 18 CYS CA C 18 65.900 65.900 60.722 5.178 25135 5373 1 7 . 1 1 18 18 CYS CB C 18 27.600 27.600 26.646 0.954 25135 5374 1 7 . 1 1 18 18 CYS H H 18 8.550 8.550 7.639 0.911 25135 5375 1 7 . 1 1 19 19 GLU N N 19 117.900 117.900 120.213 -2.313 25135 5376 1 7 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.068 -0.258 25135 5377 1 7 . 1 1 19 19 GLU C C 19 177.100 177.100 177.885 -0.785 25135 5378 1 7 . 1 1 19 19 GLU CA C 19 58.300 58.300 58.949 -0.649 25135 5379 1 7 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.504 0.496 25135 5380 1 7 . 1 1 19 19 GLU H H 19 7.540 7.540 7.755 -0.215 25135 5381 1 7 . 1 1 20 20 GLU N N 20 115.400 115.400 113.839 1.561 25135 5382 1 7 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.327 -0.107 25135 5383 1 7 . 1 1 20 20 GLU C C 20 177.100 177.100 176.822 0.278 25135 5384 1 7 . 1 1 20 20 GLU CA C 20 55.900 55.900 55.858 0.042 25135 5385 1 7 . 1 1 20 20 GLU CB C 20 30.600 30.600 29.885 0.715 25135 5386 1 7 . 1 1 20 20 GLU H H 20 7.190 7.190 7.525 -0.335 25135 5387 1 7 . 1 1 21 21 MET N N 21 120.500 120.500 120.263 0.237 25135 5388 1 7 . 1 1 21 21 MET HA H 21 4.260 4.260 4.236 0.024 25135 5389 1 7 . 1 1 21 21 MET C C 21 177.800 177.800 176.588 1.212 25135 5390 1 7 . 1 1 21 21 MET CA C 21 56.400 56.400 56.273 0.127 25135 5391 1 7 . 1 1 21 21 MET CB C 21 33.300 33.300 32.752 0.548 25135 5392 1 7 . 1 1 21 21 MET H H 21 6.940 6.940 7.131 -0.191 25135 5393 1 7 . 1 1 22 22 LYS N N 22 120.500 120.500 123.580 -3.080 25135 5394 1 7 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.320 -0.370 25135 5395 1 7 . 1 1 22 22 LYS C C 22 175.400 175.400 175.752 -0.352 25135 5396 1 7 . 1 1 22 22 LYS CA C 22 57.000 57.000 55.874 1.126 25135 5397 1 7 . 1 1 22 22 LYS CB C 22 33.600 33.600 33.389 0.211 25135 5398 1 7 . 1 1 22 22 LYS H H 22 8.760 8.760 8.798 -0.038 25135 5399 1 7 . 1 1 23 23 TYR N N 23 115.500 115.500 117.066 -1.566 25135 5400 1 7 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.631 0.279 25135 5401 1 7 . 1 1 23 23 TYR C C 23 173.700 173.700 174.791 -1.091 25135 5402 1 7 . 1 1 23 23 TYR CA C 23 55.000 55.000 58.112 -3.112 25135 5403 1 7 . 1 1 23 23 TYR CB C 23 41.900 41.900 41.999 -0.099 25135 5404 1 7 . 1 1 23 23 TYR H H 23 7.260 7.260 7.560 -0.300 25135 5405 1 7 . 1 1 24 24 CYS N N 24 113.600 113.600 117.558 -3.958 25135 5406 1 7 . 1 1 24 24 CYS HA H 24 3.700 3.700 4.087 -0.387 25135 5407 1 7 . 1 1 24 24 CYS C C 24 174.700 174.700 175.796 -1.096 25135 5408 1 7 . 1 1 24 24 CYS CA C 24 60.400 60.400 59.206 1.194 25135 5409 1 7 . 1 1 24 24 CYS CB C 24 26.100 26.100 25.513 0.587 25135 5410 1 7 . 1 1 24 24 CYS H H 24 8.720 8.720 9.517 -0.797 25135 5411 1 7 . 1 1 25 25 LYS N N 25 115.800 115.800 119.713 -3.913 25135 5412 1 7 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.871 -0.291 25135 5413 1 7 . 1 1 25 25 LYS C C 25 179.800 179.800 178.683 1.117 25135 5414 1 7 . 1 1 25 25 LYS CA C 25 60.700 60.700 59.788 0.911 25135 5415 1 7 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.390 0.910 25135 5416 1 7 . 1 1 25 25 LYS H H 25 8.050 8.050 8.413 -0.363 25135 5417 1 7 . 1 1 26 26 LYS N N 26 121.000 121.000 118.506 2.494 25135 5418 1 7 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.881 0.109 25135 5419 1 7 . 1 1 26 26 LYS C C 26 181.300 181.300 179.335 1.965 25135 5420 1 7 . 1 1 26 26 LYS CA C 26 59.000 59.000 59.993 -0.994 25135 5421 1 7 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.413 -1.012 25135 5422 1 7 . 1 1 26 26 LYS H H 26 10.600 10.600 8.629 1.971 25135 5423 1 7 . 1 1 27 27 GLN N N 27 120.500 120.500 118.062 2.438 25135 5424 1 7 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.311 -0.341 25135 5425 1 7 . 1 1 27 27 GLN C C 27 180.200 180.200 178.540 1.660 25135 5426 1 7 . 1 1 27 27 GLN CA C 27 59.300 59.300 59.563 -0.263 25135 5427 1 7 . 1 1 27 27 GLN CB C 27 32.100 32.100 28.461 3.639 25135 5428 1 7 . 1 1 27 27 GLN H H 27 9.890 9.890 8.057 1.833 25135 5429 1 7 . 1 1 28 28 CYS N N 28 118.800 118.800 119.859 -1.059 25135 5430 1 7 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.672 0.538 25135 5431 1 7 . 1 1 28 28 CYS C C 28 176.200 176.200 176.581 -0.381 25135 5432 1 7 . 1 1 28 28 CYS CA C 28 64.300 64.300 64.660 -0.360 25135 5433 1 7 . 1 1 28 28 CYS CB C 28 26.800 26.800 27.591 -0.791 25135 5434 1 7 . 1 1 28 28 CYS H H 28 8.550 8.550 8.939 -0.389 25135 5435 1 7 . 1 1 29 29 ARG N N 29 119.300 119.300 118.756 0.544 25135 5436 1 7 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.915 -0.045 25135 5437 1 7 . 1 1 29 29 ARG C C 29 178.900 178.900 178.797 0.103 25135 5438 1 7 . 1 1 29 29 ARG CA C 29 59.300 59.300 59.702 -0.402 25135 5439 1 7 . 1 1 29 29 ARG CB C 29 29.200 29.200 29.845 -0.645 25135 5440 1 7 . 1 1 29 29 ARG H H 29 8.700 8.700 8.528 0.172 25135 5441 1 7 . 1 1 30 30 ARG N N 30 119.700 119.700 119.181 0.519 25135 5442 1 7 . 1 1 30 30 ARG HA H 30 3.890 3.890 3.996 -0.106 25135 5443 1 7 . 1 1 30 30 ARG C C 30 178.000 178.000 178.621 -0.621 25135 5444 1 7 . 1 1 30 30 ARG CA C 30 58.200 58.200 59.728 -1.528 25135 5445 1 7 . 1 1 30 30 ARG CB C 30 29.100 29.100 29.910 -0.810 25135 5446 1 7 . 1 1 30 30 ARG H H 30 7.810 7.810 7.473 0.337 25135 5447 1 7 . 1 1 31 31 LEU N N 31 120.600 120.600 120.784 -0.184 25135 5448 1 7 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.655 0.385 25135 5449 1 7 . 1 1 31 31 LEU C C 31 178.400 178.400 178.126 0.274 25135 5450 1 7 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.749 0.551 25135 5451 1 7 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.430 -0.230 25135 5452 1 7 . 1 1 31 31 LEU H H 31 7.310 7.310 8.099 -0.789 25135 5453 1 7 . 1 1 32 32 GLY N N 32 105.200 105.200 105.392 -0.192 25135 5454 1 7 . 1 1 32 32 GLY C C 32 175.600 175.600 175.992 -0.392 25135 5455 1 7 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.053 1.347 25135 5456 1 7 . 1 1 32 32 GLY H H 32 7.960 7.960 7.779 0.181 25135 5457 1 7 . 1 1 33 33 HIS N N 33 120.500 120.500 122.277 -1.777 25135 5458 1 7 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.190 0.040 25135 5459 1 7 . 1 1 33 33 HIS C C 33 179.400 179.400 178.074 1.326 25135 5460 1 7 . 1 1 33 33 HIS CA C 33 59.600 59.600 59.689 -0.089 25135 5461 1 7 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.182 0.418 25135 5462 1 7 . 1 1 33 33 HIS H H 33 8.340 8.340 8.669 -0.329 25135 5463 1 7 . 1 1 34 34 ARG N N 34 121.900 121.900 118.712 3.188 25135 5464 1 7 . 1 1 34 34 ARG HA H 34 3.870 3.870 4.036 -0.166 25135 5465 1 7 . 1 1 34 34 ARG C C 34 179.600 179.600 178.444 1.156 25135 5466 1 7 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.189 0.311 25135 5467 1 7 . 1 1 34 34 ARG CB C 34 30.100 30.100 29.880 0.220 25135 5468 1 7 . 1 1 34 34 ARG H H 34 8.680 8.680 8.566 0.114 25135 5469 1 7 . 1 1 35 35 VAL N N 35 118.500 118.500 120.863 -2.363 25135 5470 1 7 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.454 -0.044 25135 5471 1 7 . 1 1 35 35 VAL C C 35 177.600 177.600 177.629 -0.029 25135 5472 1 7 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.503 1.297 25135 5473 1 7 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.365 -0.065 25135 5474 1 7 . 1 1 35 35 VAL H H 35 8.500 8.500 7.679 0.821 25135 5475 1 7 . 1 1 36 36 LEU N N 36 118.300 118.300 119.287 -0.987 25135 5476 1 7 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.727 0.173 25135 5477 1 7 . 1 1 36 36 LEU C C 36 179.600 179.600 179.076 0.524 25135 5478 1 7 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.914 0.086 25135 5479 1 7 . 1 1 36 36 LEU CB C 36 41.400 41.400 40.990 0.410 25135 5480 1 7 . 1 1 36 36 LEU H H 36 7.890 7.890 8.671 -0.781 25135 5481 1 7 . 1 1 37 37 GLY N N 37 104.900 104.900 105.006 -0.106 25135 5482 1 7 . 1 1 37 37 GLY C C 37 175.700 175.700 175.357 0.343 25135 5483 1 7 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.551 0.149 25135 5484 1 7 . 1 1 37 37 GLY H H 37 7.760 7.760 7.528 0.232 25135 5485 1 7 . 1 1 38 38 LEU N N 38 120.500 120.500 120.598 -0.098 25135 5486 1 7 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.695 -0.105 25135 5487 1 7 . 1 1 38 38 LEU C C 38 176.900 176.900 178.134 -1.234 25135 5488 1 7 . 1 1 38 38 LEU CA C 38 56.500 56.500 56.249 0.251 25135 5489 1 7 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.381 -0.781 25135 5490 1 7 . 1 1 38 38 LEU H H 38 7.720 7.720 7.443 0.277 25135 5491 1 7 . 1 1 39 39 ILE N N 39 108.700 108.700 116.759 -8.059 25135 5492 1 7 . 1 1 39 39 ILE HA H 39 4.190 4.190 3.995 0.195 25135 5493 1 7 . 1 1 39 39 ILE C C 39 178.100 178.100 177.170 0.930 25135 5494 1 7 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.892 -1.192 25135 5495 1 7 . 1 1 39 39 ILE CB C 39 38.500 38.500 38.157 0.343 25135 5496 1 7 . 1 1 39 39 ILE H H 39 7.540 7.540 7.601 -0.061 25135 5497 1 7 . 1 1 40 40 LYS N N 40 122.800 122.800 122.821 -0.021 25135 5498 1 7 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.391 0.039 25135 5499 1 7 . 1 1 40 40 LYS CA C 40 60.700 60.700 59.684 1.016 25135 5500 1 7 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.374 0.026 25135 5501 1 7 . 1 1 40 40 LYS H H 40 7.600 7.600 8.469 -0.869 25135 5502 1 7 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.259 0.171 25135 5503 1 7 . 1 1 41 41 PRO C C 41 178.700 178.700 178.975 -0.275 25135 5504 1 7 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.921 -0.421 25135 5505 1 7 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.349 0.252 25135 5506 1 7 . 1 1 42 42 LEU N N 42 114.400 114.400 116.866 -2.466 25135 5507 1 7 . 1 1 42 42 LEU HA H 42 4.060 4.060 4.026 0.034 25135 5508 1 7 . 1 1 42 42 LEU C C 42 178.800 178.800 178.715 0.085 25135 5509 1 7 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.691 -0.591 25135 5510 1 7 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.074 -0.774 25135 5511 1 7 . 1 1 42 42 LEU H H 42 7.200 7.200 7.995 -0.795 25135 5512 1 7 . 1 1 43 43 GLU N N 43 119.200 119.200 118.762 0.438 25135 5513 1 7 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.950 -0.030 25135 5514 1 7 . 1 1 43 43 GLU C C 43 179.100 179.100 178.879 0.221 25135 5515 1 7 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.282 0.218 25135 5516 1 7 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.213 0.887 25135 5517 1 7 . 1 1 43 43 GLU H H 43 8.120 8.120 8.094 0.026 25135 5518 1 7 . 1 1 44 44 MET N N 44 116.500 116.500 115.975 0.525 25135 5519 1 7 . 1 1 44 44 MET HA H 44 4.310 4.310 4.262 0.048 25135 5520 1 7 . 1 1 44 44 MET C C 44 177.900 177.900 177.618 0.282 25135 5521 1 7 . 1 1 44 44 MET CA C 44 57.600 57.600 57.908 -0.308 25135 5522 1 7 . 1 1 44 44 MET CB C 44 32.500 32.500 32.902 -0.402 25135 5523 1 7 . 1 1 44 44 MET H H 44 7.600 7.600 7.621 -0.021 25135 5524 1 7 . 1 1 45 45 LEU N N 45 119.900 119.900 118.341 1.559 25135 5525 1 7 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.236 -0.086 25135 5526 1 7 . 1 1 45 45 LEU C C 45 178.000 178.000 178.524 -0.524 25135 5527 1 7 . 1 1 45 45 LEU CA C 45 56.600 56.600 57.895 -1.295 25135 5528 1 7 . 1 1 45 45 LEU CB C 45 42.000 42.000 42.499 -0.499 25135 5529 1 7 . 1 1 45 45 LEU H H 45 7.620 7.620 7.818 -0.198 25135 5530 1 7 . 1 1 46 46 GLN N N 46 118.300 118.300 117.942 0.358 25135 5531 1 7 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.076 -0.056 25135 5532 1 7 . 1 1 46 46 GLN C C 46 176.500 176.500 178.129 -1.629 25135 5533 1 7 . 1 1 46 46 GLN CA C 46 57.700 57.700 58.310 -0.610 25135 5534 1 7 . 1 1 46 46 GLN CB C 46 29.500 29.500 28.030 1.470 25135 5535 1 7 . 1 1 46 46 GLN H H 46 7.950 7.950 8.696 -0.746 25135 5536 1 7 . 1 1 47 47 ASP N N 47 119.000 119.000 119.885 -0.885 25135 5537 1 7 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.369 0.201 25135 5538 1 7 . 1 1 47 47 ASP C C 47 176.900 176.900 178.805 -1.905 25135 5539 1 7 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.674 -1.374 25135 5540 1 7 . 1 1 47 47 ASP CB C 47 41.300 41.300 40.858 0.442 25135 5541 1 7 . 1 1 47 47 ASP H H 47 7.890 7.890 7.717 0.173 25135 5542 1 7 . 1 1 48 48 GLN N N 48 119.500 119.500 116.614 2.886 25135 5543 1 7 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.082 0.148 25135 5544 1 7 . 1 1 48 48 GLN C C 48 177.200 177.200 177.400 -0.200 25135 5545 1 7 . 1 1 48 48 GLN CA C 48 56.700 56.700 57.274 -0.574 25135 5546 1 7 . 1 1 48 48 GLN CB C 48 29.300 29.300 29.219 0.081 25135 5547 1 7 . 1 1 48 48 GLN H H 48 8.080 8.080 7.657 0.423 25135 5548 1 7 . 1 1 49 49 GLY N N 49 108.100 108.100 106.390 1.710 25135 5549 1 7 . 1 1 49 49 GLY C C 49 174.300 174.300 174.892 -0.592 25135 5550 1 7 . 1 1 49 49 GLY CA C 49 46.000 46.000 45.748 0.252 25135 5551 1 7 . 1 1 49 49 GLY H H 49 8.270 8.270 7.848 0.422 25135 5552 1 7 . 1 1 50 50 LYS N N 50 120.200 120.200 118.478 1.722 25135 5553 1 7 . 1 1 50 50 LYS HA H 50 4.320 4.320 4.085 0.235 25135 5554 1 7 . 1 1 50 50 LYS C C 50 176.400 176.400 176.983 -0.583 25135 5555 1 7 . 1 1 50 50 LYS CA C 50 56.500 56.500 57.716 -1.216 25135 5556 1 7 . 1 1 50 50 LYS CB C 50 32.900 32.900 33.262 -0.362 25135 5557 1 7 . 1 1 50 50 LYS H H 50 8.130 8.130 7.915 0.215 25135 5558 1 7 . 1 1 51 51 ARG N N 51 121.300 121.300 118.488 2.812 25135 5559 1 7 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.418 0.042 25135 5560 1 7 . 1 1 51 51 ARG C C 51 176.100 176.100 173.571 2.529 25135 5561 1 7 . 1 1 51 51 ARG CA C 51 56.000 56.000 56.782 -0.782 25135 5562 1 7 . 1 1 51 51 ARG CB C 51 31.200 31.200 31.684 -0.484 25135 5563 1 7 . 1 1 51 51 ARG H H 51 8.260 8.260 7.568 0.692 25135 5564 1 7 . 1 1 52 52 SER N N 52 116.900 116.900 118.398 -1.498 25135 5565 1 7 . 1 1 52 52 SER HA H 52 4.550 4.550 4.915 -0.365 25135 5566 1 7 . 1 1 52 52 SER C C 52 173.900 173.900 173.565 0.335 25135 5567 1 7 . 1 1 52 52 SER CA C 52 57.800 57.800 58.226 -0.426 25135 5568 1 7 . 1 1 52 52 SER CB C 52 64.300 64.300 64.597 -0.297 25135 5569 1 7 . 1 1 52 52 SER H H 52 8.150 8.150 8.460 -0.310 25135 5570 1 7 . 1 1 53 53 VAL N N 53 124.300 124.300 126.193 -1.893 25135 5571 1 7 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.391 -0.101 25135 5572 1 7 . 1 1 53 53 VAL CA C 53 60.400 60.400 58.552 1.848 25135 5573 1 7 . 1 1 53 53 VAL CB C 53 32.500 32.500 33.936 -1.436 25135 5574 1 7 . 1 1 53 53 VAL H H 53 8.420 8.420 8.064 0.356 25135 5575 1 7 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.539 -0.049 25135 5576 1 7 . 1 1 54 54 PRO C C 54 176.600 176.600 176.177 0.423 25135 5577 1 7 . 1 1 54 54 PRO CA C 54 62.500 62.500 62.721 -0.221 25135 5578 1 7 . 1 1 54 54 PRO CB C 54 32.600 32.600 30.645 1.955 25135 5579 1 7 . 1 1 55 55 SER N N 55 119.500 119.500 119.060 0.440 25135 5580 1 7 . 1 1 55 55 SER HA H 55 4.370 4.370 4.582 -0.212 25135 5581 1 7 . 1 1 55 55 SER C C 55 175.500 175.500 175.611 -0.111 25135 5582 1 7 . 1 1 55 55 SER CA C 55 58.200 58.200 56.512 1.688 25135 5583 1 7 . 1 1 55 55 SER CB C 55 64.200 64.200 65.094 -0.894 25135 5584 1 7 . 1 1 55 55 SER H H 55 8.970 8.970 8.155 0.816 25135 5585 1 7 . 1 1 56 56 GLU N N 56 123.000 123.000 122.688 0.312 25135 5586 1 7 . 1 1 56 56 GLU HA H 56 4.140 4.140 4.000 0.140 25135 5587 1 7 . 1 1 56 56 GLU C C 56 179.300 179.300 178.580 0.720 25135 5588 1 7 . 1 1 56 56 GLU CA C 56 59.700 59.700 60.572 -0.872 25135 5589 1 7 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.592 -0.392 25135 5590 1 7 . 1 1 56 56 GLU H H 56 9.030 9.030 9.066 -0.036 25135 5591 1 7 . 1 1 57 57 LYS N N 57 118.900 118.900 118.245 0.655 25135 5592 1 7 . 1 1 57 57 LYS HA H 57 4.000 4.000 3.995 0.005 25135 5593 1 7 . 1 1 57 57 LYS C C 57 179.400 179.400 178.385 1.015 25135 5594 1 7 . 1 1 57 57 LYS CA C 57 59.600 59.600 59.777 -0.177 25135 5595 1 7 . 1 1 57 57 LYS CB C 57 32.700 32.700 31.849 0.851 25135 5596 1 7 . 1 1 57 57 LYS H H 57 8.150 8.150 8.603 -0.453 25135 5597 1 7 . 1 1 58 58 LEU N N 58 122.800 122.800 118.673 4.127 25135 5598 1 7 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.134 -0.034 25135 5599 1 7 . 1 1 58 58 LEU C C 58 178.200 178.200 178.404 -0.204 25135 5600 1 7 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.265 0.035 25135 5601 1 7 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.333 -0.833 25135 5602 1 7 . 1 1 58 58 LEU H H 58 8.420 8.420 7.942 0.478 25135 5603 1 7 . 1 1 59 59 THR N N 59 117.800 117.800 113.862 3.938 25135 5604 1 7 . 1 1 59 59 THR HA H 59 3.730 3.730 4.088 -0.358 25135 5605 1 7 . 1 1 59 59 THR C C 59 176.800 176.800 176.777 0.023 25135 5606 1 7 . 1 1 59 59 THR CA C 59 67.500 67.500 66.328 1.172 25135 5607 1 7 . 1 1 59 59 THR CB C 59 68.400 68.400 68.366 0.034 25135 5608 1 7 . 1 1 59 59 THR H H 59 8.600 8.600 7.962 0.638 25135 5609 1 7 . 1 1 60 60 THR N N 60 118.300 118.300 117.588 0.712 25135 5610 1 7 . 1 1 60 60 THR HA H 60 3.980 3.980 4.046 -0.066 25135 5611 1 7 . 1 1 60 60 THR C C 60 176.400 176.400 175.880 0.520 25135 5612 1 7 . 1 1 60 60 THR CA C 60 66.900 66.900 66.957 -0.057 25135 5613 1 7 . 1 1 60 60 THR CB C 60 68.400 68.400 68.670 -0.270 25135 5614 1 7 . 1 1 60 60 THR H H 60 8.390 8.390 8.225 0.165 25135 5615 1 7 . 1 1 61 61 ALA N N 61 124.900 124.900 124.551 0.349 25135 5616 1 7 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.061 0.059 25135 5617 1 7 . 1 1 61 61 ALA C C 61 180.000 180.000 179.376 0.624 25135 5618 1 7 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.348 0.452 25135 5619 1 7 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.230 0.570 25135 5620 1 7 . 1 1 61 61 ALA H H 61 8.090 8.090 7.815 0.275 25135 5621 1 7 . 1 1 62 62 MET N N 62 118.300 118.300 117.525 0.775 25135 5622 1 7 . 1 1 62 62 MET HA H 62 4.110 4.110 4.226 -0.116 25135 5623 1 7 . 1 1 62 62 MET C C 62 178.300 178.300 178.696 -0.396 25135 5624 1 7 . 1 1 62 62 MET CA C 62 59.600 59.600 59.759 -0.159 25135 5625 1 7 . 1 1 62 62 MET CB C 62 32.500 32.500 32.216 0.284 25135 5626 1 7 . 1 1 62 62 MET H H 62 8.820 8.820 8.621 0.199 25135 5627 1 7 . 1 1 63 63 ASN N N 63 119.500 119.500 118.446 1.054 25135 5628 1 7 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.520 0.060 25135 5629 1 7 . 1 1 63 63 ASN C C 63 179.000 179.000 177.900 1.100 25135 5630 1 7 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.601 -0.301 25135 5631 1 7 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.278 -0.578 25135 5632 1 7 . 1 1 63 63 ASN H H 63 8.320 8.320 8.696 -0.376 25135 5633 1 7 . 1 1 64 64 ARG N N 64 122.500 122.500 120.567 1.933 25135 5634 1 7 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.151 0.039 25135 5635 1 7 . 1 1 64 64 ARG C C 64 179.300 179.300 178.872 0.428 25135 5636 1 7 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.526 0.174 25135 5637 1 7 . 1 1 64 64 ARG CB C 64 30.700 30.700 30.104 0.596 25135 5638 1 7 . 1 1 64 64 ARG H H 64 8.560 8.560 8.043 0.517 25135 5639 1 7 . 1 1 65 65 PHE N N 65 123.100 123.100 122.178 0.922 25135 5640 1 7 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.267 0.203 25135 5641 1 7 . 1 1 65 65 PHE C C 65 176.400 176.400 176.992 -0.592 25135 5642 1 7 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.636 0.964 25135 5643 1 7 . 1 1 65 65 PHE CB C 65 39.400 39.400 38.924 0.476 25135 5644 1 7 . 1 1 65 65 PHE H H 65 8.560 8.560 8.857 -0.297 25135 5645 1 7 . 1 1 66 66 LYS N N 66 119.800 119.800 119.432 0.368 25135 5646 1 7 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.773 -0.153 25135 5647 1 7 . 1 1 66 66 LYS C C 66 177.600 177.600 178.733 -1.133 25135 5648 1 7 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.598 1.102 25135 5649 1 7 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.286 0.214 25135 5650 1 7 . 1 1 66 66 LYS H H 66 8.610 8.610 8.858 -0.248 25135 5651 1 7 . 1 1 67 67 ALA N N 67 119.000 119.000 121.997 -2.997 25135 5652 1 7 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.473 -0.243 25135 5653 1 7 . 1 1 67 67 ALA C C 67 180.400 180.400 179.510 0.890 25135 5654 1 7 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.451 0.549 25135 5655 1 7 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.565 -0.565 25135 5656 1 7 . 1 1 67 67 ALA H H 67 8.000 8.000 7.986 0.014 25135 5657 1 7 . 1 1 68 68 ALA N N 68 122.200 122.200 121.753 0.447 25135 5658 1 7 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.069 0.121 25135 5659 1 7 . 1 1 68 68 ALA C C 68 179.800 179.800 179.764 0.036 25135 5660 1 7 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.880 0.320 25135 5661 1 7 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.325 -0.525 25135 5662 1 7 . 1 1 68 68 ALA H H 68 7.950 7.950 8.657 -0.707 25135 5663 1 7 . 1 1 69 69 LEU N N 69 118.900 118.900 119.123 -0.223 25135 5664 1 7 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.762 0.088 25135 5665 1 7 . 1 1 69 69 LEU C C 69 179.200 179.200 178.917 0.283 25135 5666 1 7 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.300 -0.799 25135 5667 1 7 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.616 -0.216 25135 5668 1 7 . 1 1 69 69 LEU H H 69 8.020 8.020 8.441 -0.421 25135 5669 1 7 . 1 1 70 70 GLU N N 70 120.500 120.500 118.288 2.212 25135 5670 1 7 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.818 0.122 25135 5671 1 7 . 1 1 70 70 GLU C C 70 180.500 180.500 178.983 1.517 25135 5672 1 7 . 1 1 70 70 GLU CA C 70 59.900 59.900 59.890 0.010 25135 5673 1 7 . 1 1 70 70 GLU CB C 70 29.200 29.200 29.070 0.130 25135 5674 1 7 . 1 1 70 70 GLU H H 70 8.590 8.590 7.862 0.728 25135 5675 1 7 . 1 1 71 71 GLU N N 71 122.200 122.200 118.629 3.571 25135 5676 1 7 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.069 0.001 25135 5677 1 7 . 1 1 71 71 GLU C C 71 179.600 179.600 178.661 0.939 25135 5678 1 7 . 1 1 71 71 GLU CA C 71 59.400 59.400 59.095 0.305 25135 5679 1 7 . 1 1 71 71 GLU CB C 71 29.400 29.400 28.570 0.830 25135 5680 1 7 . 1 1 71 71 GLU H H 71 8.300 8.300 7.555 0.745 25135 5681 1 7 . 1 1 72 72 ALA N N 72 122.800 122.800 123.126 -0.326 25135 5682 1 7 . 1 1 72 72 ALA HA H 72 3.890 3.890 4.031 -0.141 25135 5683 1 7 . 1 1 72 72 ALA C C 72 178.500 178.500 179.611 -1.111 25135 5684 1 7 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.136 0.564 25135 5685 1 7 . 1 1 72 72 ALA CB C 72 17.200 17.200 17.930 -0.730 25135 5686 1 7 . 1 1 72 72 ALA H H 72 8.330 8.330 8.033 0.297 25135 5687 1 7 . 1 1 73 73 ASN N N 73 115.700 115.700 117.237 -1.537 25135 5688 1 7 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.317 0.133 25135 5689 1 7 . 1 1 73 73 ASN C C 73 177.600 177.600 177.734 -0.134 25135 5690 1 7 . 1 1 73 73 ASN CA C 73 56.300 56.300 56.443 -0.143 25135 5691 1 7 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.436 0.464 25135 5692 1 7 . 1 1 73 73 ASN H H 73 8.460 8.460 8.703 -0.243 25135 5693 1 7 . 1 1 74 74 GLY N N 74 105.500 105.500 108.369 -2.869 25135 5694 1 7 . 1 1 74 74 GLY C C 74 177.100 177.100 176.339 0.761 25135 5695 1 7 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.822 0.178 25135 5696 1 7 . 1 1 74 74 GLY H H 74 8.070 8.070 8.646 -0.576 25135 5697 1 7 . 1 1 75 75 GLU N N 75 123.500 123.500 122.671 0.829 25135 5698 1 7 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.888 0.222 25135 5699 1 7 . 1 1 75 75 GLU C C 75 178.500 178.500 179.311 -0.811 25135 5700 1 7 . 1 1 75 75 GLU CA C 75 58.700 58.700 59.275 -0.575 25135 5701 1 7 . 1 1 75 75 GLU CB C 75 29.900 29.900 29.676 0.224 25135 5702 1 7 . 1 1 75 75 GLU H H 75 8.110 8.110 8.373 -0.263 25135 5703 1 7 . 1 1 76 76 ILE N N 76 120.300 120.300 118.385 1.915 25135 5704 1 7 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.947 -0.127 25135 5705 1 7 . 1 1 76 76 ILE C C 76 178.300 178.300 177.932 0.368 25135 5706 1 7 . 1 1 76 76 ILE CA C 76 65.500 65.500 64.907 0.593 25135 5707 1 7 . 1 1 76 76 ILE CB C 76 37.900 37.900 38.130 -0.230 25135 5708 1 7 . 1 1 76 76 ILE H H 76 8.330 8.330 8.655 -0.325 25135 5709 1 7 . 1 1 77 77 GLU N N 77 119.400 119.400 120.654 -1.254 25135 5710 1 7 . 1 1 77 77 GLU HA H 77 3.920 3.920 4.073 -0.153 25135 5711 1 7 . 1 1 77 77 GLU C C 77 180.200 180.200 179.131 1.069 25135 5712 1 7 . 1 1 77 77 GLU CA C 77 59.700 59.700 59.228 0.472 25135 5713 1 7 . 1 1 77 77 GLU CB C 77 29.300 29.300 29.436 -0.136 25135 5714 1 7 . 1 1 77 77 GLU H H 77 7.860 7.860 8.026 -0.166 25135 5715 1 7 . 1 1 78 78 LYS N N 78 121.600 121.600 119.538 2.062 25135 5716 1 7 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.057 -0.157 25135 5717 1 7 . 1 1 78 78 LYS C C 78 179.200 179.200 178.067 1.133 25135 5718 1 7 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.325 1.575 25135 5719 1 7 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.306 -0.006 25135 5720 1 7 . 1 1 78 78 LYS H H 78 7.760 7.760 8.459 -0.699 25135 5721 1 7 . 1 1 79 79 PHE N N 79 115.900 115.900 115.549 0.351 25135 5722 1 7 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.607 0.073 25135 5723 1 7 . 1 1 79 79 PHE C C 79 174.100 174.100 176.098 -1.998 25135 5724 1 7 . 1 1 79 79 PHE CA C 79 58.200 58.200 56.842 1.358 25135 5725 1 7 . 1 1 79 79 PHE CB C 79 36.900 36.900 38.816 -1.916 25135 5726 1 7 . 1 1 79 79 PHE H H 79 8.170 8.170 7.432 0.738 25135 5727 1 7 . 1 1 80 80 SER N N 80 113.300 113.300 114.254 -0.954 25135 5728 1 7 . 1 1 80 80 SER HA H 80 4.500 4.500 4.318 0.182 25135 5729 1 7 . 1 1 80 80 SER C C 80 173.700 173.700 174.187 -0.487 25135 5730 1 7 . 1 1 80 80 SER CA C 80 60.500 60.500 60.848 -0.348 25135 5731 1 7 . 1 1 80 80 SER CB C 80 63.400 63.400 63.887 -0.487 25135 5732 1 7 . 1 1 80 80 SER H H 80 7.700 7.700 7.396 0.304 25135 5733 1 7 . 1 1 81 81 ASN N N 81 119.500 119.500 119.070 0.430 25135 5734 1 7 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.753 0.217 25135 5735 1 7 . 1 1 81 81 ASN CA C 81 52.100 52.100 53.018 -0.918 25135 5736 1 7 . 1 1 81 81 ASN CB C 81 40.300 40.300 38.943 1.357 25135 5737 1 7 . 1 1 81 81 ASN H H 81 7.290 7.290 7.970 -0.680 25135 5738 1 7 . 1 1 82 82 ARG N N 82 127.400 127.400 126.464 0.936 25135 5739 1 7 . 1 1 82 82 ARG HA H 82 3.590 3.590 3.016 0.574 25135 5740 1 7 . 1 1 82 82 ARG C C 82 177.700 177.700 177.391 0.309 25135 5741 1 7 . 1 1 82 82 ARG CA C 82 59.800 59.800 59.325 0.475 25135 5742 1 7 . 1 1 82 82 ARG CB C 82 30.100 30.100 29.282 0.819 25135 5743 1 7 . 1 1 82 82 ARG H H 82 9.050 9.050 8.743 0.307 25135 5744 1 7 . 1 1 83 83 SER N N 83 114.600 114.600 113.914 0.686 25135 5745 1 7 . 1 1 83 83 SER HA H 83 3.930 3.930 4.185 -0.255 25135 5746 1 7 . 1 1 83 83 SER C C 83 177.100 177.100 175.845 1.255 25135 5747 1 7 . 1 1 83 83 SER CA C 83 62.200 62.200 61.334 0.866 25135 5748 1 7 . 1 1 83 83 SER CB C 83 62.000 62.000 62.838 -0.838 25135 5749 1 7 . 1 1 83 83 SER H H 83 8.390 8.390 8.389 0.001 25135 5750 1 7 . 1 1 84 84 ASN N N 84 119.700 119.700 119.719 -0.019 25135 5751 1 7 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.688 -0.088 25135 5752 1 7 . 1 1 84 84 ASN C C 84 179.100 179.100 177.182 1.918 25135 5753 1 7 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.612 -0.212 25135 5754 1 7 . 1 1 84 84 ASN CB C 84 37.600 37.600 38.484 -0.885 25135 5755 1 7 . 1 1 84 84 ASN H H 84 7.980 7.980 7.812 0.168 25135 5756 1 7 . 1 1 85 85 ILE N N 85 122.100 122.100 122.662 -0.562 25135 5757 1 7 . 1 1 85 85 ILE HA H 85 3.820 3.820 3.997 -0.177 25135 5758 1 7 . 1 1 85 85 ILE C C 85 176.900 176.900 177.532 -0.632 25135 5759 1 7 . 1 1 85 85 ILE CA C 85 64.700 64.700 65.234 -0.534 25135 5760 1 7 . 1 1 85 85 ILE CB C 85 37.400 37.400 36.779 0.621 25135 5761 1 7 . 1 1 85 85 ILE H H 85 7.760 7.760 7.819 -0.059 25135 5762 1 7 . 1 1 86 86 CYS N N 86 119.200 119.200 116.580 2.620 25135 5763 1 7 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.682 0.258 25135 5764 1 7 . 1 1 86 86 CYS C C 86 177.400 177.400 177.290 0.110 25135 5765 1 7 . 1 1 86 86 CYS CA C 86 63.800 63.800 62.974 0.826 25135 5766 1 7 . 1 1 86 86 CYS CB C 86 26.900 26.900 26.068 0.832 25135 5767 1 7 . 1 1 86 86 CYS H H 86 8.330 8.330 8.038 0.292 25135 5768 1 7 . 1 1 87 87 ARG N N 87 119.200 119.200 119.280 -0.080 25135 5769 1 7 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.243 -0.223 25135 5770 1 7 . 1 1 87 87 ARG C C 87 178.500 178.500 178.704 -0.204 25135 5771 1 7 . 1 1 87 87 ARG CA C 87 59.500 59.500 59.214 0.286 25135 5772 1 7 . 1 1 87 87 ARG CB C 87 30.300 30.300 30.394 -0.094 25135 5773 1 7 . 1 1 87 87 ARG H H 87 7.900 7.900 7.436 0.464 25135 5774 1 7 . 1 1 88 88 PHE N N 88 120.300 120.300 122.040 -1.740 25135 5775 1 7 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.358 -0.138 25135 5776 1 7 . 1 1 88 88 PHE C C 88 177.200 177.200 177.152 0.048 25135 5777 1 7 . 1 1 88 88 PHE CA C 88 61.500 61.500 60.516 0.984 25135 5778 1 7 . 1 1 88 88 PHE CB C 88 39.800 39.800 38.836 0.964 25135 5779 1 7 . 1 1 88 88 PHE H H 88 7.760 7.760 8.672 -0.912 25135 5780 1 7 . 1 1 89 89 LEU N N 89 117.900 117.900 118.767 -0.867 25135 5781 1 7 . 1 1 89 89 LEU HA H 89 3.640 3.640 2.902 0.738 25135 5782 1 7 . 1 1 89 89 LEU C C 89 178.700 178.700 178.849 -0.149 25135 5783 1 7 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.360 0.040 25135 5784 1 7 . 1 1 89 89 LEU CB C 89 41.600 41.600 40.572 1.028 25135 5785 1 7 . 1 1 89 89 LEU H H 89 8.590 8.590 8.229 0.361 25135 5786 1 7 . 1 1 90 90 THR N N 90 112.000 112.000 112.098 -0.098 25135 5787 1 7 . 1 1 90 90 THR HA H 90 3.980 3.980 4.083 -0.103 25135 5788 1 7 . 1 1 90 90 THR C C 90 174.900 174.900 176.154 -1.254 25135 5789 1 7 . 1 1 90 90 THR CA C 90 65.200 65.200 64.754 0.446 25135 5790 1 7 . 1 1 90 90 THR CB C 90 69.300 69.300 69.128 0.172 25135 5791 1 7 . 1 1 90 90 THR H H 90 7.690 7.690 7.483 0.207 25135 5792 1 7 . 1 1 91 91 ALA N N 91 122.400 122.400 122.733 -0.333 25135 5793 1 7 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.224 0.046 25135 5794 1 7 . 1 1 91 91 ALA C C 91 177.500 177.500 177.569 -0.069 25135 5795 1 7 . 1 1 91 91 ALA CA C 91 53.000 53.000 52.983 0.017 25135 5796 1 7 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.349 0.651 25135 5797 1 7 . 1 1 91 91 ALA H H 91 7.220 7.220 7.785 -0.565 25135 5798 1 7 . 1 1 92 92 SER N N 92 112.900 112.900 112.254 0.646 25135 5799 1 7 . 1 1 92 92 SER HA H 92 4.130 4.130 4.177 -0.047 25135 5800 1 7 . 1 1 92 92 SER CA C 92 57.600 57.600 58.793 -1.193 25135 5801 1 7 . 1 1 92 92 SER CB C 92 64.000 64.000 61.712 2.288 25135 5802 1 7 . 1 1 92 92 SER H H 92 7.510 7.510 8.075 -0.565 25135 5803 1 7 . 1 1 93 93 GLN N N 93 125.700 125.700 122.768 2.932 25135 5804 1 7 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.227 -0.027 25135 5805 1 7 . 1 1 93 93 GLN C C 93 176.700 176.700 176.448 0.252 25135 5806 1 7 . 1 1 93 93 GLN CA C 93 57.700 57.700 58.794 -1.094 25135 5807 1 7 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.584 -0.584 25135 5808 1 7 . 1 1 93 93 GLN H H 93 8.710 8.710 8.363 0.347 25135 5809 1 7 . 1 1 94 94 ASP N N 94 116.400 116.400 115.312 1.088 25135 5810 1 7 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.804 -0.244 25135 5811 1 7 . 1 1 94 94 ASP CA C 94 54.000 54.000 54.010 -0.010 25135 5812 1 7 . 1 1 94 94 ASP CB C 94 41.700 41.700 41.869 -0.169 25135 5813 1 7 . 1 1 94 94 ASP H H 94 7.800 7.800 8.721 -0.921 25135 5814 1 7 . 1 1 95 95 LYS N N 95 114.300 114.300 115.100 -0.800 25135 5815 1 7 . 1 1 95 95 LYS H H 95 8.290 8.290 8.623 -0.333 25135 5816 1 7 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.398 -0.078 25135 5817 1 7 . 1 1 96 96 ILE C C 96 177.000 177.000 176.884 0.116 25135 5818 1 7 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.776 1.024 25135 5819 1 7 . 1 1 96 96 ILE CB C 96 38.100 38.100 39.811 -1.711 25135 5820 1 7 . 1 1 97 97 LEU N N 97 131.100 131.100 126.863 4.237 25135 5821 1 7 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.460 -0.340 25135 5822 1 7 . 1 1 97 97 LEU C C 97 177.200 177.200 177.475 -0.275 25135 5823 1 7 . 1 1 97 97 LEU CA C 97 58.000 58.000 58.436 -0.436 25135 5824 1 7 . 1 1 97 97 LEU CB C 97 42.900 42.900 41.821 1.079 25135 5825 1 7 . 1 1 97 97 LEU H H 97 8.620 8.620 8.988 -0.368 25135 5826 1 7 . 1 1 98 98 PHE N N 98 113.600 113.600 110.054 3.546 25135 5827 1 7 . 1 1 98 98 PHE HA H 98 5.100 5.100 5.072 0.028 25135 5828 1 7 . 1 1 98 98 PHE C C 98 175.400 175.400 175.222 0.178 25135 5829 1 7 . 1 1 98 98 PHE CA C 98 55.700 55.700 54.486 1.214 25135 5830 1 7 . 1 1 98 98 PHE CB C 98 37.600 37.600 37.472 0.128 25135 5831 1 7 . 1 1 98 98 PHE H H 98 8.450 8.450 7.597 0.853 25135 5832 1 7 . 1 1 99 99 LYS N N 99 119.500 119.500 123.874 -4.374 25135 5833 1 7 . 1 1 99 99 LYS HA H 99 3.880 3.880 4.061 -0.181 25135 5834 1 7 . 1 1 99 99 LYS C C 99 178.900 178.900 177.963 0.937 25135 5835 1 7 . 1 1 99 99 LYS CA C 99 61.100 61.100 59.358 1.742 25135 5836 1 7 . 1 1 99 99 LYS CB C 99 33.500 33.500 32.585 0.915 25135 5837 1 7 . 1 1 99 99 LYS H H 99 6.790 6.790 7.347 -0.557 25135 5838 1 7 . 1 1 100 100 ASP N N 100 117.800 117.800 119.125 -1.325 25135 5839 1 7 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.463 0.147 25135 5840 1 7 . 1 1 100 100 ASP C C 100 179.000 179.000 178.549 0.451 25135 5841 1 7 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.604 0.196 25135 5842 1 7 . 1 1 100 100 ASP CB C 100 40.400 40.400 40.522 -0.121 25135 5843 1 7 . 1 1 100 100 ASP H H 100 8.520 8.520 8.640 -0.120 25135 5844 1 7 . 1 1 101 101 VAL N N 101 122.600 122.600 118.708 3.892 25135 5845 1 7 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.741 0.119 25135 5846 1 7 . 1 1 101 101 VAL C C 101 177.100 177.100 178.167 -1.067 25135 5847 1 7 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.949 -1.249 25135 5848 1 7 . 1 1 101 101 VAL CB C 101 32.300 32.300 31.800 0.500 25135 5849 1 7 . 1 1 101 101 VAL H H 101 8.210 8.210 8.273 -0.063 25135 5850 1 7 . 1 1 102 102 ASN N N 102 121.000 121.000 118.079 2.921 25135 5851 1 7 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.869 -0.309 25135 5852 1 7 . 1 1 102 102 ASN C C 102 178.500 178.500 178.317 0.183 25135 5853 1 7 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.621 -0.421 25135 5854 1 7 . 1 1 102 102 ASN CB C 102 37.900 37.900 38.487 -0.587 25135 5855 1 7 . 1 1 102 102 ASN H H 102 9.060 9.060 8.234 0.826 25135 5856 1 7 . 1 1 103 103 ARG N N 103 120.700 120.700 119.651 1.049 25135 5857 1 7 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.140 0.020 25135 5858 1 7 . 1 1 103 103 ARG C C 103 177.900 177.900 178.059 -0.159 25135 5859 1 7 . 1 1 103 103 ARG CA C 103 59.100 59.100 59.721 -0.621 25135 5860 1 7 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.618 -0.718 25135 5861 1 7 . 1 1 103 103 ARG H H 103 7.640 7.640 8.106 -0.466 25135 5862 1 7 . 1 1 104 104 LYS N N 104 119.700 119.700 120.634 -0.934 25135 5863 1 7 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.192 -0.002 25135 5864 1 7 . 1 1 104 104 LYS C C 104 179.300 179.300 178.843 0.457 25135 5865 1 7 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.387 0.713 25135 5866 1 7 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.473 0.027 25135 5867 1 7 . 1 1 104 104 LYS H H 104 7.960 7.960 8.272 -0.312 25135 5868 1 7 . 1 1 105 105 LEU N N 105 118.200 118.200 120.580 -2.380 25135 5869 1 7 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.141 -0.101 25135 5870 1 7 . 1 1 105 105 LEU C C 105 178.400 178.400 178.662 -0.262 25135 5871 1 7 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.244 0.256 25135 5872 1 7 . 1 1 105 105 LEU CB C 105 42.500 42.500 41.969 0.531 25135 5873 1 7 . 1 1 105 105 LEU H H 105 8.990 8.990 8.671 0.319 25135 5874 1 7 . 1 1 106 106 SER N N 106 111.700 111.700 113.934 -2.234 25135 5875 1 7 . 1 1 106 106 SER HA H 106 3.870 3.870 4.555 -0.685 25135 5876 1 7 . 1 1 106 106 SER C C 106 177.500 177.500 176.577 0.923 25135 5877 1 7 . 1 1 106 106 SER CA C 106 61.400 61.400 61.888 -0.488 25135 5878 1 7 . 1 1 106 106 SER CB C 106 62.600 62.600 62.920 -0.320 25135 5879 1 7 . 1 1 106 106 SER H H 106 7.980 7.980 7.882 0.098 25135 5880 1 7 . 1 1 107 107 ASP N N 107 122.000 122.000 122.103 -0.103 25135 5881 1 7 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.412 0.028 25135 5882 1 7 . 1 1 107 107 ASP C C 107 179.700 179.700 178.762 0.938 25135 5883 1 7 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.067 0.833 25135 5884 1 7 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.573 0.027 25135 5885 1 7 . 1 1 107 107 ASP H H 107 8.500 8.500 7.737 0.762 25135 5886 1 7 . 1 1 108 108 VAL N N 108 119.200 119.200 118.842 0.358 25135 5887 1 7 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.799 0.211 25135 5888 1 7 . 1 1 108 108 VAL C C 108 178.400 178.400 177.594 0.806 25135 5889 1 7 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.707 -1.107 25135 5890 1 7 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.280 0.220 25135 5891 1 7 . 1 1 108 108 VAL H H 108 8.830 8.830 7.993 0.837 25135 5892 1 7 . 1 1 109 109 TRP N N 109 121.900 121.900 122.035 -0.135 25135 5893 1 7 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.947 0.323 25135 5894 1 7 . 1 1 109 109 TRP C C 109 178.000 178.000 177.792 0.208 25135 5895 1 7 . 1 1 109 109 TRP CA C 109 60.100 60.100 60.086 0.014 25135 5896 1 7 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.444 0.256 25135 5897 1 7 . 1 1 109 109 TRP H H 109 8.710 8.710 7.936 0.774 25135 5898 1 7 . 1 1 110 110 LYS N N 110 119.500 119.500 118.350 1.150 25135 5899 1 7 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.726 -0.096 25135 5900 1 7 . 1 1 110 110 LYS C C 110 178.000 178.000 179.088 -1.088 25135 5901 1 7 . 1 1 110 110 LYS CA C 110 60.500 60.500 59.822 0.678 25135 5902 1 7 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.068 0.132 25135 5903 1 7 . 1 1 110 110 LYS H H 110 8.010 8.010 7.835 0.175 25135 5904 1 7 . 1 1 111 111 GLU N N 111 116.700 116.700 118.139 -1.439 25135 5905 1 7 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.123 -0.113 25135 5906 1 7 . 1 1 111 111 GLU C C 111 178.400 178.400 178.598 -0.198 25135 5907 1 7 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.134 0.666 25135 5908 1 7 . 1 1 111 111 GLU CB C 111 30.400 30.400 30.057 0.343 25135 5909 1 7 . 1 1 111 111 GLU H H 111 7.000 7.000 7.623 -0.623 25135 5910 1 7 . 1 1 112 112 LEU N N 112 119.000 119.000 121.441 -2.441 25135 5911 1 7 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.157 -0.417 25135 5912 1 7 . 1 1 112 112 LEU C C 112 177.600 177.600 177.666 -0.066 25135 5913 1 7 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.179 0.621 25135 5914 1 7 . 1 1 112 112 LEU CB C 112 42.200 42.200 41.984 0.216 25135 5915 1 7 . 1 1 112 112 LEU H H 112 8.380 8.380 8.223 0.157 25135 5916 1 7 . 1 1 113 113 SER N N 113 113.100 113.100 114.847 -1.747 25135 5917 1 7 . 1 1 113 113 SER HA H 113 3.190 3.190 3.549 -0.359 25135 5918 1 7 . 1 1 113 113 SER C C 113 176.300 176.300 175.996 0.304 25135 5919 1 7 . 1 1 113 113 SER CA C 113 61.600 61.600 61.245 0.355 25135 5920 1 7 . 1 1 113 113 SER CB C 113 61.800 61.800 61.984 -0.184 25135 5921 1 7 . 1 1 113 113 SER H H 113 8.490 8.490 8.026 0.464 25135 5922 1 7 . 1 1 114 114 LEU N N 114 121.500 121.500 121.336 0.164 25135 5923 1 7 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.028 -0.008 25135 5924 1 7 . 1 1 114 114 LEU C C 114 179.100 179.100 177.480 1.620 25135 5925 1 7 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.207 0.793 25135 5926 1 7 . 1 1 114 114 LEU CB C 114 41.800 41.800 40.622 1.178 25135 5927 1 7 . 1 1 114 114 LEU H H 114 6.810 6.810 7.113 -0.303 25135 5928 1 7 . 1 1 115 115 LEU N N 115 118.200 118.200 118.566 -0.366 25135 5929 1 7 . 1 1 115 115 LEU HA H 115 4.060 4.060 3.969 0.091 25135 5930 1 7 . 1 1 115 115 LEU C C 115 179.600 179.600 179.159 0.441 25135 5931 1 7 . 1 1 115 115 LEU CA C 115 57.700 57.700 57.102 0.598 25135 5932 1 7 . 1 1 115 115 LEU CB C 115 43.100 43.100 41.781 1.319 25135 5933 1 7 . 1 1 115 115 LEU H H 115 7.270 7.270 7.070 0.200 25135 5934 1 7 . 1 1 116 116 LEU N N 116 118.700 118.700 120.370 -1.670 25135 5935 1 7 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.819 0.031 25135 5936 1 7 . 1 1 116 116 LEU C C 116 179.300 179.300 179.391 -0.091 25135 5937 1 7 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.159 -0.559 25135 5938 1 7 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.671 -0.271 25135 5939 1 7 . 1 1 116 116 LEU H H 116 8.440 8.440 8.060 0.380 25135 5940 1 7 . 1 1 117 117 GLN N N 117 119.500 119.500 117.139 2.361 25135 5941 1 7 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.211 0.129 25135 5942 1 7 . 1 1 117 117 GLN C C 117 178.200 178.200 178.505 -0.305 25135 5943 1 7 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.877 -0.077 25135 5944 1 7 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.630 0.170 25135 5945 1 7 . 1 1 117 117 GLN H H 117 8.030 8.030 8.246 -0.216 25135 5946 1 7 . 1 1 118 118 VAL N N 118 117.600 117.600 118.566 -0.966 25135 5947 1 7 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.854 -0.014 25135 5948 1 7 . 1 1 118 118 VAL C C 118 177.900 177.900 177.668 0.232 25135 5949 1 7 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.457 -0.057 25135 5950 1 7 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.489 1.411 25135 5951 1 7 . 1 1 118 118 VAL H H 118 8.110 8.110 7.591 0.519 25135 5952 1 7 . 1 1 119 119 GLU N N 119 116.900 116.900 119.595 -2.695 25135 5953 1 7 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.167 0.143 25135 5954 1 7 . 1 1 119 119 GLU C C 119 177.700 177.700 178.435 -0.735 25135 5955 1 7 . 1 1 119 119 GLU CA C 119 58.400 58.400 58.590 -0.190 25135 5956 1 7 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.415 1.285 25135 5957 1 7 . 1 1 119 119 GLU H H 119 8.620 8.620 8.288 0.332 25135 5958 1 7 . 1 1 120 120 GLN N N 120 113.300 113.300 116.625 -3.325 25135 5959 1 7 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.371 0.079 25135 5960 1 7 . 1 1 120 120 GLN C C 120 174.700 174.700 176.249 -1.549 25135 5961 1 7 . 1 1 120 120 GLN CA C 120 54.500 54.500 56.002 -1.502 25135 5962 1 7 . 1 1 120 120 GLN CB C 120 28.600 28.600 29.789 -1.189 25135 5963 1 7 . 1 1 120 120 GLN H H 120 7.350 7.350 8.076 -0.726 25135 5964 1 7 . 1 1 121 121 ARG N N 121 114.800 114.800 114.904 -0.104 25135 5965 1 7 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.141 -0.021 25135 5966 1 7 . 1 1 121 121 ARG C C 121 175.600 175.600 175.563 0.037 25135 5967 1 7 . 1 1 121 121 ARG CA C 121 56.600 56.600 57.176 -0.576 25135 5968 1 7 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.600 0.100 25135 5969 1 7 . 1 1 121 121 ARG H H 121 7.410 7.410 7.854 -0.444 25135 5970 1 7 . 1 1 122 122 MET N N 122 120.300 120.300 117.964 2.336 25135 5971 1 7 . 1 1 122 122 MET HA H 122 4.600 4.600 4.831 -0.231 25135 5972 1 7 . 1 1 122 122 MET CA C 122 53.700 53.700 53.703 -0.002 25135 5973 1 7 . 1 1 122 122 MET CB C 122 34.700 34.700 32.774 1.926 25135 5974 1 7 . 1 1 122 122 MET H H 122 7.760 7.760 7.501 0.259 25135 5975 1 7 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.621 -0.141 25135 5976 1 7 . 1 1 123 123 PRO C C 123 176.300 176.300 175.556 0.744 25135 5977 1 7 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.382 -0.582 25135 5978 1 7 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.822 -0.522 25135 5979 1 7 . 1 1 124 124 VAL N N 124 120.000 120.000 123.005 -3.005 25135 5980 1 7 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.436 -0.356 25135 5981 1 7 . 1 1 124 124 VAL C C 124 175.800 175.800 175.091 0.709 25135 5982 1 7 . 1 1 124 124 VAL CA C 124 61.700 61.700 60.434 1.266 25135 5983 1 7 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.480 -1.380 25135 5984 1 7 . 1 1 124 124 VAL H H 124 8.080 8.080 8.354 -0.274 25135 5985 1 7 . 1 1 125 125 SER N N 125 121.200 121.200 119.515 1.685 25135 5986 1 7 . 1 1 125 125 SER HA H 125 4.800 4.800 4.885 -0.085 25135 5987 1 7 . 1 1 125 125 SER CA C 125 56.200 56.200 56.121 0.079 25135 5988 1 7 . 1 1 125 125 SER CB C 125 63.700 63.700 63.715 -0.015 25135 5989 1 7 . 1 1 125 125 SER H H 125 8.380 8.380 8.159 0.221 25135 5990 1 7 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.432 0.048 25135 5991 1 7 . 1 1 126 126 PRO C C 126 177.100 177.100 176.017 1.083 25135 5992 1 7 . 1 1 126 126 PRO CA C 126 63.400 63.400 63.108 0.291 25135 5993 1 7 . 1 1 126 126 PRO CB C 126 31.900 31.900 29.626 2.274 25135 5994 1 7 . 1 1 127 127 ILE N N 127 119.900 119.900 119.187 0.713 25135 5995 1 7 . 1 1 127 127 ILE HA H 127 4.140 4.140 4.146 -0.006 25135 5996 1 7 . 1 1 127 127 ILE C C 127 176.300 176.300 177.231 -0.931 25135 5997 1 7 . 1 1 127 127 ILE CA C 127 61.300 61.300 61.753 -0.453 25135 5998 1 7 . 1 1 127 127 ILE CB C 127 38.800 38.800 35.171 3.629 25135 5999 1 7 . 1 1 127 127 ILE H H 127 8.050 8.050 8.857 -0.807 25135 6000 1 7 . 1 1 128 128 SER N N 128 119.000 119.000 117.054 1.946 25135 6001 1 7 . 1 1 128 128 SER HA H 128 4.400 4.400 4.060 0.340 25135 6002 1 7 . 1 1 128 128 SER C C 128 174.600 174.600 175.926 -1.326 25135 6003 1 7 . 1 1 128 128 SER CA C 128 58.300 58.300 61.206 -2.906 25135 6004 1 7 . 1 1 128 128 SER CB C 128 63.600 63.600 63.376 0.224 25135 6005 1 7 . 1 1 128 128 SER H H 128 8.230 8.230 8.789 -0.559 25135 6006 1 7 . 1 1 129 129 GLN N N 129 122.600 122.600 117.533 5.067 25135 6007 1 7 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.243 -0.013 25135 6008 1 7 . 1 1 129 129 GLN C C 129 176.200 176.200 176.791 -0.591 25135 6009 1 7 . 1 1 129 129 GLN CA C 129 56.300 56.300 56.925 -0.625 25135 6010 1 7 . 1 1 129 129 GLN CB C 129 29.100 29.100 29.010 0.090 25135 6011 1 7 . 1 1 129 129 GLN H H 129 8.340 8.340 8.233 0.107 25135 6012 1 7 . 1 1 130 130 GLY N N 130 109.200 109.200 106.324 2.876 25135 6013 1 7 . 1 1 130 130 GLY C C 130 175.100 175.100 173.946 1.154 25135 6014 1 7 . 1 1 130 130 GLY CA C 130 45.200 45.200 44.931 0.270 25135 6015 1 7 . 1 1 130 130 GLY H H 130 8.150 8.150 8.249 -0.099 25135 6016 1 7 . 1 1 131 131 ALA N N 131 124.700 124.700 123.421 1.279 25135 6017 1 7 . 1 1 131 131 ALA HA H 131 4.230 4.230 2.865 1.365 25135 6018 1 7 . 1 1 131 131 ALA C C 131 178.700 178.700 177.720 0.980 25135 6019 1 7 . 1 1 131 131 ALA CA C 131 53.800 53.800 52.080 1.720 25135 6020 1 7 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.456 0.445 25135 6021 1 7 . 1 1 131 131 ALA H H 131 8.070 8.070 8.087 -0.017 25135 6022 1 7 . 1 1 132 132 SER N N 132 113.200 113.200 114.217 -1.017 25135 6023 1 7 . 1 1 132 132 SER HA H 132 4.580 4.580 4.345 0.235 25135 6024 1 7 . 1 1 132 132 SER C C 132 175.700 175.700 175.857 -0.157 25135 6025 1 7 . 1 1 132 132 SER CA C 132 58.500 58.500 58.993 -0.493 25135 6026 1 7 . 1 1 132 132 SER CB C 132 63.800 63.800 62.475 1.325 25135 6027 1 7 . 1 1 132 132 SER H H 132 8.340 8.340 7.917 0.423 25135 6028 1 7 . 1 1 133 133 TRP N N 133 122.800 122.800 122.579 0.221 25135 6029 1 7 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.364 0.166 25135 6030 1 7 . 1 1 133 133 TRP C C 133 178.200 178.200 178.031 0.169 25135 6031 1 7 . 1 1 133 133 TRP CA C 133 58.900 58.900 59.799 -0.899 25135 6032 1 7 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.313 1.887 25135 6033 1 7 . 1 1 133 133 TRP H H 133 8.380 8.380 7.101 1.279 25135 6034 1 7 . 1 1 134 134 ALA N N 134 120.600 120.600 120.822 -0.222 25135 6035 1 7 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.966 0.284 25135 6036 1 7 . 1 1 134 134 ALA C C 134 180.700 180.700 179.637 1.063 25135 6037 1 7 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.280 0.420 25135 6038 1 7 . 1 1 134 134 ALA CB C 134 18.000 18.000 18.034 -0.034 25135 6039 1 7 . 1 1 134 134 ALA H H 134 8.420 8.420 8.336 0.084 25135 6040 1 7 . 1 1 135 135 GLN N N 135 118.900 118.900 117.406 1.494 25135 6041 1 7 . 1 1 135 135 GLN HA H 135 4.100 4.100 3.964 0.136 25135 6042 1 7 . 1 1 135 135 GLN C C 135 179.200 179.200 178.702 0.498 25135 6043 1 7 . 1 1 135 135 GLN CA C 135 59.000 59.000 59.240 -0.240 25135 6044 1 7 . 1 1 135 135 GLN CB C 135 28.500 28.500 28.320 0.180 25135 6045 1 7 . 1 1 135 135 GLN H H 135 7.860 7.860 8.527 -0.667 25135 6046 1 7 . 1 1 136 136 GLU N N 136 120.900 120.900 118.590 2.310 25135 6047 1 7 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.181 -0.361 25135 6048 1 7 . 1 1 136 136 GLU C C 136 177.800 177.800 179.017 -1.217 25135 6049 1 7 . 1 1 136 136 GLU CA C 136 59.000 59.000 58.893 0.107 25135 6050 1 7 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.437 0.563 25135 6051 1 7 . 1 1 136 136 GLU H H 136 7.720 7.720 8.095 -0.375 25135 6052 1 7 . 1 1 137 137 ASP N N 137 118.200 118.200 120.987 -2.787 25135 6053 1 7 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.278 0.182 25135 6054 1 7 . 1 1 137 137 ASP C C 137 178.100 178.100 178.447 -0.347 25135 6055 1 7 . 1 1 137 137 ASP CA C 137 57.200 57.200 57.896 -0.696 25135 6056 1 7 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.541 -0.441 25135 6057 1 7 . 1 1 137 137 ASP H H 137 8.800 8.800 8.628 0.172 25135 6058 1 7 . 1 1 138 138 GLN N N 138 116.900 116.900 118.653 -1.753 25135 6059 1 7 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.064 -0.184 25135 6060 1 7 . 1 1 138 138 GLN C C 138 178.400 178.400 178.139 0.261 25135 6061 1 7 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.503 0.397 25135 6062 1 7 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.191 0.509 25135 6063 1 7 . 1 1 138 138 GLN H H 138 7.510 7.510 8.060 -0.550 25135 6064 1 7 . 1 1 139 139 GLN N N 139 119.500 119.500 119.517 -0.017 25135 6065 1 7 . 1 1 139 139 GLN HA H 139 4.110 4.110 4.217 -0.107 25135 6066 1 7 . 1 1 139 139 GLN C C 139 178.900 178.900 178.417 0.483 25135 6067 1 7 . 1 1 139 139 GLN CA C 139 58.900 58.900 59.058 -0.158 25135 6068 1 7 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.698 -0.098 25135 6069 1 7 . 1 1 139 139 GLN H H 139 7.520 7.520 7.572 -0.052 25135 6070 1 7 . 1 1 140 140 ASP N N 140 121.700 121.700 118.354 3.346 25135 6071 1 7 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.558 -0.538 25135 6072 1 7 . 1 1 140 140 ASP C C 140 177.700 177.700 177.813 -0.113 25135 6073 1 7 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.394 0.906 25135 6074 1 7 . 1 1 140 140 ASP CB C 140 40.700 40.700 40.831 -0.131 25135 6075 1 7 . 1 1 140 140 ASP H H 140 9.130 9.130 8.249 0.881 25135 6076 1 7 . 1 1 141 141 ALA N N 141 121.000 121.000 124.275 -3.275 25135 6077 1 7 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.017 0.233 25135 6078 1 7 . 1 1 141 141 ALA C C 141 180.800 180.800 178.367 2.433 25135 6079 1 7 . 1 1 141 141 ALA CA C 141 55.400 55.400 55.436 -0.036 25135 6080 1 7 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.532 0.968 25135 6081 1 7 . 1 1 141 141 ALA H H 141 8.720 8.720 7.796 0.924 25135 6082 1 7 . 1 1 142 142 ASP N N 142 119.100 119.100 117.342 1.758 25135 6083 1 7 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.288 0.142 25135 6084 1 7 . 1 1 142 142 ASP C C 142 178.600 178.600 178.858 -0.258 25135 6085 1 7 . 1 1 142 142 ASP CA C 142 57.600 57.600 57.087 0.513 25135 6086 1 7 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.010 1.290 25135 6087 1 7 . 1 1 142 142 ASP H H 142 7.850 7.850 8.607 -0.757 25135 6088 1 7 . 1 1 143 143 GLU N N 143 119.500 119.500 119.086 0.414 25135 6089 1 7 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.125 -0.095 25135 6090 1 7 . 1 1 143 143 GLU C C 143 180.100 180.100 177.919 2.181 25135 6091 1 7 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.636 1.065 25135 6092 1 7 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.753 -0.153 25135 6093 1 7 . 1 1 143 143 GLU H H 143 7.860 7.860 7.703 0.157 25135 6094 1 7 . 1 1 144 144 ASP N N 144 121.000 121.000 121.008 -0.008 25135 6095 1 7 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.372 0.278 25135 6096 1 7 . 1 1 144 144 ASP C C 144 179.500 179.500 178.238 1.262 25135 6097 1 7 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.499 0.001 25135 6098 1 7 . 1 1 144 144 ASP CB C 144 41.100 41.100 41.126 -0.026 25135 6099 1 7 . 1 1 144 144 ASP H H 144 8.840 8.840 8.285 0.555 25135 6100 1 7 . 1 1 145 145 ARG N N 145 121.400 121.400 118.119 3.281 25135 6101 1 7 . 1 1 145 145 ARG HA H 145 4.130 4.130 4.169 -0.039 25135 6102 1 7 . 1 1 145 145 ARG C C 145 178.700 178.700 179.430 -0.730 25135 6103 1 7 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.152 0.348 25135 6104 1 7 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.679 -0.079 25135 6105 1 7 . 1 1 145 145 ARG H H 145 8.510 8.510 8.224 0.286 25135 6106 1 7 . 1 1 146 146 ARG N N 146 119.400 119.400 118.382 1.018 25135 6107 1 7 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.253 -0.143 25135 6108 1 7 . 1 1 146 146 ARG C C 146 178.400 178.400 177.823 0.577 25135 6109 1 7 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.270 1.130 25135 6110 1 7 . 1 1 146 146 ARG CB C 146 30.200 30.200 30.207 -0.007 25135 6111 1 7 . 1 1 146 146 ARG H H 146 7.680 7.680 7.861 -0.181 25135 6112 1 7 . 1 1 147 147 ALA N N 147 120.300 120.300 123.757 -3.457 25135 6113 1 7 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.299 0.011 25135 6114 1 7 . 1 1 147 147 ALA C C 147 179.500 179.500 179.714 -0.214 25135 6115 1 7 . 1 1 147 147 ALA CA C 147 54.100 54.100 54.829 -0.729 25135 6116 1 7 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.560 0.540 25135 6117 1 7 . 1 1 147 147 ALA H H 147 7.840 7.840 7.796 0.044 25135 6118 1 7 . 1 1 148 148 PHE N N 148 119.900 119.900 117.464 2.436 25135 6119 1 7 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.333 0.057 25135 6120 1 7 . 1 1 148 148 PHE C C 148 176.900 176.900 175.916 0.984 25135 6121 1 7 . 1 1 148 148 PHE CA C 148 60.500 60.500 59.406 1.094 25135 6122 1 7 . 1 1 148 148 PHE CB C 148 39.700 39.700 38.416 1.284 25135 6123 1 7 . 1 1 148 148 PHE H H 148 8.210 8.210 8.517 -0.307 25135 6124 1 7 . 1 1 149 149 GLN N N 149 118.500 118.500 117.816 0.684 25135 6125 1 7 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.649 0.481 25135 6126 1 7 . 1 1 149 149 GLN C C 149 176.400 176.400 176.649 -0.249 25135 6127 1 7 . 1 1 149 149 GLN CA C 149 56.900 56.900 56.452 0.449 25135 6128 1 7 . 1 1 149 149 GLN CB C 149 28.900 28.900 28.739 0.161 25135 6129 1 7 . 1 1 149 149 GLN H H 149 7.960 7.960 7.351 0.609 25135 6130 1 7 . 1 1 150 150 MET N N 150 118.000 118.000 116.681 1.319 25135 6131 1 7 . 1 1 150 150 MET HA H 150 4.360 4.360 4.444 -0.084 25135 6132 1 7 . 1 1 150 150 MET C C 150 176.300 176.300 176.491 -0.191 25135 6133 1 7 . 1 1 150 150 MET CA C 150 56.000 56.000 56.489 -0.488 25135 6134 1 7 . 1 1 150 150 MET CB C 150 32.800 32.800 35.586 -2.786 25135 6135 1 7 . 1 1 150 150 MET H H 150 7.760 7.760 7.503 0.257 25135 6136 1 7 . 1 1 151 151 LEU N N 151 121.200 121.200 121.233 -0.033 25135 6137 1 7 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.470 -0.200 25135 6138 1 7 . 1 1 151 151 LEU C C 151 177.100 177.100 175.691 1.409 25135 6139 1 7 . 1 1 151 151 LEU CA C 151 55.400 55.400 53.852 1.548 25135 6140 1 7 . 1 1 151 151 LEU CB C 151 42.300 42.300 40.153 2.147 25135 6141 1 7 . 1 1 151 151 LEU H H 151 7.690 7.690 7.921 -0.231 25135 6142 1 7 . 1 1 152 152 ARG N N 152 121.800 121.800 121.220 0.580 25135 6143 1 7 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.426 -0.186 25135 6144 1 7 . 1 1 152 152 ARG C C 152 176.000 176.000 176.221 -0.221 25135 6145 1 7 . 1 1 152 152 ARG CA C 152 56.200 56.200 56.439 -0.239 25135 6146 1 7 . 1 1 152 152 ARG CB C 152 30.900 30.900 29.668 1.232 25135 6147 1 7 . 1 1 152 152 ARG H H 152 8.120 8.120 7.823 0.297 25135 6148 1 7 . 1 1 153 153 ARG N N 153 123.100 123.100 117.736 5.364 25135 6149 1 7 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.539 -0.179 25135 6150 1 7 . 1 1 153 153 ARG C C 153 174.900 174.900 175.240 -0.340 25135 6151 1 7 . 1 1 153 153 ARG CA C 153 56.000 56.000 55.733 0.267 25135 6152 1 7 . 1 1 153 153 ARG CB C 153 31.000 31.000 30.332 0.668 25135 6153 1 7 . 1 1 153 153 ARG H H 153 8.380 8.380 8.061 0.319 25135 6154 1 8 . 1 1 2 2 GLU N N 2 120.000 120.000 120.112 -0.112 25135 6155 1 8 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.079 -0.099 25135 6156 1 8 . 1 1 2 2 GLU C C 2 178.400 178.400 177.773 0.627 25135 6157 1 8 . 1 1 2 2 GLU CA C 2 59.400 59.400 59.348 0.052 25135 6158 1 8 . 1 1 2 2 GLU CB C 2 29.200 29.200 29.380 -0.180 25135 6159 1 8 . 1 1 2 2 GLU H H 2 8.140 8.140 8.904 -0.764 25135 6160 1 8 . 1 1 3 3 ASN N N 3 117.300 117.300 115.927 1.373 25135 6161 1 8 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.700 -0.060 25135 6162 1 8 . 1 1 3 3 ASN C C 3 177.900 177.900 176.820 1.080 25135 6163 1 8 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.811 0.989 25135 6164 1 8 . 1 1 3 3 ASN CB C 3 39.000 39.000 38.087 0.913 25135 6165 1 8 . 1 1 3 3 ASN H H 3 7.960 7.960 8.691 -0.731 25135 6166 1 8 . 1 1 4 4 LEU N N 4 119.700 119.700 122.485 -2.785 25135 6167 1 8 . 1 1 4 4 LEU HA H 4 4.030 4.030 3.991 0.039 25135 6168 1 8 . 1 1 4 4 LEU C C 4 177.900 177.900 178.398 -0.498 25135 6169 1 8 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.652 -0.252 25135 6170 1 8 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.788 0.212 25135 6171 1 8 . 1 1 4 4 LEU H H 4 8.450 8.450 8.102 0.348 25135 6172 1 8 . 1 1 5 5 LYS N N 5 118.200 118.200 115.585 2.615 25135 6173 1 8 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.060 -0.120 25135 6174 1 8 . 1 1 5 5 LYS C C 5 179.200 179.200 179.039 0.161 25135 6175 1 8 . 1 1 5 5 LYS CA C 5 60.000 60.000 58.295 1.705 25135 6176 1 8 . 1 1 5 5 LYS CB C 5 31.900 31.900 31.599 0.301 25135 6177 1 8 . 1 1 5 5 LYS H H 5 7.940 7.940 7.845 0.095 25135 6178 1 8 . 1 1 6 6 HIS N N 6 118.400 118.400 119.587 -1.187 25135 6179 1 8 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.488 -0.068 25135 6180 1 8 . 1 1 6 6 HIS C C 6 178.200 178.200 177.623 0.577 25135 6181 1 8 . 1 1 6 6 HIS CA C 6 59.100 59.100 59.307 -0.207 25135 6182 1 8 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.399 0.501 25135 6183 1 8 . 1 1 6 6 HIS H H 6 7.710 7.710 7.739 -0.029 25135 6184 1 8 . 1 1 7 7 ILE N N 7 120.300 120.300 121.295 -0.995 25135 6185 1 8 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.511 -0.071 25135 6186 1 8 . 1 1 7 7 ILE C C 7 176.500 176.500 177.398 -0.898 25135 6187 1 8 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.594 0.406 25135 6188 1 8 . 1 1 7 7 ILE CB C 7 38.700 38.700 38.040 0.660 25135 6189 1 8 . 1 1 7 7 ILE H H 7 7.950 7.950 8.324 -0.374 25135 6190 1 8 . 1 1 8 8 ILE N N 8 120.200 120.200 119.591 0.609 25135 6191 1 8 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.483 0.097 25135 6192 1 8 . 1 1 8 8 ILE C C 8 178.000 178.000 178.089 -0.089 25135 6193 1 8 . 1 1 8 8 ILE CA C 8 65.800 65.800 65.846 -0.046 25135 6194 1 8 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.554 1.046 25135 6195 1 8 . 1 1 8 8 ILE H H 8 8.450 8.450 8.930 -0.480 25135 6196 1 8 . 1 1 9 9 THR N N 9 115.400 115.400 114.302 1.098 25135 6197 1 8 . 1 1 9 9 THR HA H 9 3.880 3.880 3.950 -0.070 25135 6198 1 8 . 1 1 9 9 THR C C 9 176.300 176.300 176.349 -0.049 25135 6199 1 8 . 1 1 9 9 THR CA C 9 66.900 66.900 66.185 0.715 25135 6200 1 8 . 1 1 9 9 THR CB C 9 68.800 68.800 68.782 0.018 25135 6201 1 8 . 1 1 9 9 THR H H 9 8.120 8.120 7.462 0.658 25135 6202 1 8 . 1 1 10 10 LEU N N 10 122.100 122.100 121.366 0.734 25135 6203 1 8 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.112 -0.062 25135 6204 1 8 . 1 1 10 10 LEU C C 10 178.800 178.800 178.293 0.507 25135 6205 1 8 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.789 1.111 25135 6206 1 8 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.194 1.107 25135 6207 1 8 . 1 1 10 10 LEU H H 10 7.950 7.950 7.522 0.428 25135 6208 1 8 . 1 1 11 11 GLY N N 11 105.800 105.800 105.177 0.623 25135 6209 1 8 . 1 1 11 11 GLY C C 11 174.700 174.700 176.110 -1.410 25135 6210 1 8 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.109 0.391 25135 6211 1 8 . 1 1 11 11 GLY H H 11 8.660 8.660 8.569 0.091 25135 6212 1 8 . 1 1 12 12 GLN N N 12 119.600 119.600 119.476 0.124 25135 6213 1 8 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.377 -0.387 25135 6214 1 8 . 1 1 12 12 GLN C C 12 179.600 179.600 178.589 1.011 25135 6215 1 8 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.560 1.740 25135 6216 1 8 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.449 -0.549 25135 6217 1 8 . 1 1 12 12 GLN H H 12 8.050 8.050 7.432 0.618 25135 6218 1 8 . 1 1 13 13 VAL N N 13 122.600 122.600 121.867 0.733 25135 6219 1 8 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.669 0.001 25135 6220 1 8 . 1 1 13 13 VAL C C 13 178.500 178.500 177.909 0.591 25135 6221 1 8 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.380 0.320 25135 6222 1 8 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.222 0.678 25135 6223 1 8 . 1 1 13 13 VAL H H 13 8.300 8.300 7.832 0.468 25135 6224 1 8 . 1 1 14 14 ILE N N 14 121.000 121.000 119.132 1.868 25135 6225 1 8 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.707 -0.237 25135 6226 1 8 . 1 1 14 14 ILE C C 14 177.700 177.700 178.251 -0.551 25135 6227 1 8 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.232 0.568 25135 6228 1 8 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.666 0.734 25135 6229 1 8 . 1 1 14 14 ILE H H 14 8.480 8.480 8.576 -0.096 25135 6230 1 8 . 1 1 15 15 HIS N N 15 118.900 118.900 118.345 0.555 25135 6231 1 8 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.459 -0.559 25135 6232 1 8 . 1 1 15 15 HIS C C 15 176.200 176.200 177.045 -0.845 25135 6233 1 8 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.025 2.276 25135 6234 1 8 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.254 -0.254 25135 6235 1 8 . 1 1 15 15 HIS H H 15 8.250 8.250 7.566 0.684 25135 6236 1 8 . 1 1 16 16 LYS N N 16 118.500 118.500 120.024 -1.524 25135 6237 1 8 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.672 -0.002 25135 6238 1 8 . 1 1 16 16 LYS C C 16 179.200 179.200 178.798 0.402 25135 6239 1 8 . 1 1 16 16 LYS CA C 16 59.500 59.500 59.102 0.398 25135 6240 1 8 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.220 0.280 25135 6241 1 8 . 1 1 16 16 LYS H H 16 7.820 7.820 8.097 -0.277 25135 6242 1 8 . 1 1 17 17 ARG N N 17 117.600 117.600 119.620 -2.020 25135 6243 1 8 . 1 1 17 17 ARG HA H 17 3.960 3.960 4.017 -0.057 25135 6244 1 8 . 1 1 17 17 ARG C C 17 180.600 180.600 178.538 2.062 25135 6245 1 8 . 1 1 17 17 ARG CA C 17 59.200 59.200 59.581 -0.381 25135 6246 1 8 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.116 0.384 25135 6247 1 8 . 1 1 17 17 ARG H H 17 8.330 8.330 8.806 -0.476 25135 6248 1 8 . 1 1 18 18 CYS N N 18 118.100 118.100 114.564 3.536 25135 6249 1 8 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.154 -0.264 25135 6250 1 8 . 1 1 18 18 CYS C C 18 177.300 177.300 176.452 0.848 25135 6251 1 8 . 1 1 18 18 CYS CA C 18 65.900 65.900 60.998 4.902 25135 6252 1 8 . 1 1 18 18 CYS CB C 18 27.600 27.600 27.522 0.078 25135 6253 1 8 . 1 1 18 18 CYS H H 18 8.550 8.550 7.584 0.966 25135 6254 1 8 . 1 1 19 19 GLU N N 19 117.900 117.900 118.673 -0.773 25135 6255 1 8 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.072 -0.262 25135 6256 1 8 . 1 1 19 19 GLU C C 19 177.100 177.100 177.528 -0.428 25135 6257 1 8 . 1 1 19 19 GLU CA C 19 58.300 58.300 58.705 -0.405 25135 6258 1 8 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.378 0.622 25135 6259 1 8 . 1 1 19 19 GLU H H 19 7.540 7.540 7.566 -0.026 25135 6260 1 8 . 1 1 20 20 GLU N N 20 115.400 115.400 115.654 -0.254 25135 6261 1 8 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.281 -0.061 25135 6262 1 8 . 1 1 20 20 GLU C C 20 177.100 177.100 177.304 -0.204 25135 6263 1 8 . 1 1 20 20 GLU CA C 20 55.900 55.900 56.272 -0.372 25135 6264 1 8 . 1 1 20 20 GLU CB C 20 30.600 30.600 30.293 0.307 25135 6265 1 8 . 1 1 20 20 GLU H H 20 7.190 7.190 7.561 -0.371 25135 6266 1 8 . 1 1 21 21 MET N N 21 120.500 120.500 119.361 1.139 25135 6267 1 8 . 1 1 21 21 MET HA H 21 4.260 4.260 4.220 0.040 25135 6268 1 8 . 1 1 21 21 MET C C 21 177.800 177.800 176.407 1.393 25135 6269 1 8 . 1 1 21 21 MET CA C 21 56.400 56.400 56.291 0.109 25135 6270 1 8 . 1 1 21 21 MET CB C 21 33.300 33.300 32.757 0.543 25135 6271 1 8 . 1 1 21 21 MET H H 21 6.940 6.940 7.735 -0.795 25135 6272 1 8 . 1 1 22 22 LYS N N 22 120.500 120.500 124.098 -3.598 25135 6273 1 8 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.447 -0.497 25135 6274 1 8 . 1 1 22 22 LYS C C 22 175.400 175.400 175.827 -0.427 25135 6275 1 8 . 1 1 22 22 LYS CA C 22 57.000 57.000 55.008 1.992 25135 6276 1 8 . 1 1 22 22 LYS CB C 22 33.600 33.600 33.795 -0.195 25135 6277 1 8 . 1 1 22 22 LYS H H 22 8.760 8.760 8.808 -0.048 25135 6278 1 8 . 1 1 23 23 TYR N N 23 115.500 115.500 117.511 -2.011 25135 6279 1 8 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.618 0.292 25135 6280 1 8 . 1 1 23 23 TYR C C 23 173.700 173.700 175.361 -1.661 25135 6281 1 8 . 1 1 23 23 TYR CA C 23 55.000 55.000 58.199 -3.199 25135 6282 1 8 . 1 1 23 23 TYR CB C 23 41.900 41.900 41.496 0.404 25135 6283 1 8 . 1 1 23 23 TYR H H 23 7.260 7.260 7.506 -0.246 25135 6284 1 8 . 1 1 24 24 CYS N N 24 113.600 113.600 117.404 -3.804 25135 6285 1 8 . 1 1 24 24 CYS HA H 24 3.700 3.700 4.110 -0.410 25135 6286 1 8 . 1 1 24 24 CYS C C 24 174.700 174.700 175.740 -1.040 25135 6287 1 8 . 1 1 24 24 CYS CA C 24 60.400 60.400 59.595 0.805 25135 6288 1 8 . 1 1 24 24 CYS CB C 24 26.100 26.100 26.343 -0.243 25135 6289 1 8 . 1 1 24 24 CYS H H 24 8.720 8.720 9.236 -0.516 25135 6290 1 8 . 1 1 25 25 LYS N N 25 115.800 115.800 119.785 -3.985 25135 6291 1 8 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.837 -0.257 25135 6292 1 8 . 1 1 25 25 LYS C C 25 179.800 179.800 178.570 1.230 25135 6293 1 8 . 1 1 25 25 LYS CA C 25 60.700 60.700 59.686 1.014 25135 6294 1 8 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.276 1.024 25135 6295 1 8 . 1 1 25 25 LYS H H 25 8.050 8.050 8.550 -0.500 25135 6296 1 8 . 1 1 26 26 LYS N N 26 121.000 121.000 118.960 2.040 25135 6297 1 8 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.901 0.089 25135 6298 1 8 . 1 1 26 26 LYS C C 26 181.300 181.300 179.748 1.552 25135 6299 1 8 . 1 1 26 26 LYS CA C 26 59.000 59.000 59.748 -0.748 25135 6300 1 8 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.763 -1.363 25135 6301 1 8 . 1 1 26 26 LYS H H 26 10.600 10.600 8.564 2.036 25135 6302 1 8 . 1 1 27 27 GLN N N 27 120.500 120.500 118.368 2.132 25135 6303 1 8 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.335 -0.365 25135 6304 1 8 . 1 1 27 27 GLN C C 27 180.200 180.200 178.425 1.775 25135 6305 1 8 . 1 1 27 27 GLN CA C 27 59.300 59.300 58.906 0.394 25135 6306 1 8 . 1 1 27 27 GLN CB C 27 32.100 32.100 29.286 2.814 25135 6307 1 8 . 1 1 27 27 GLN H H 27 9.890 9.890 7.814 2.076 25135 6308 1 8 . 1 1 28 28 CYS N N 28 118.800 118.800 118.870 -0.070 25135 6309 1 8 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.863 0.347 25135 6310 1 8 . 1 1 28 28 CYS C C 28 176.200 176.200 177.103 -0.903 25135 6311 1 8 . 1 1 28 28 CYS CA C 28 64.300 64.300 63.874 0.426 25135 6312 1 8 . 1 1 28 28 CYS CB C 28 26.800 26.800 26.714 0.086 25135 6313 1 8 . 1 1 28 28 CYS H H 28 8.550 8.550 8.572 -0.022 25135 6314 1 8 . 1 1 29 29 ARG N N 29 119.300 119.300 119.252 0.048 25135 6315 1 8 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.947 -0.077 25135 6316 1 8 . 1 1 29 29 ARG C C 29 178.900 178.900 178.869 0.031 25135 6317 1 8 . 1 1 29 29 ARG CA C 29 59.300 59.300 59.661 -0.361 25135 6318 1 8 . 1 1 29 29 ARG CB C 29 29.200 29.200 29.858 -0.658 25135 6319 1 8 . 1 1 29 29 ARG H H 29 8.700 8.700 8.542 0.158 25135 6320 1 8 . 1 1 30 30 ARG N N 30 119.700 119.700 119.047 0.653 25135 6321 1 8 . 1 1 30 30 ARG HA H 30 3.890 3.890 3.944 -0.054 25135 6322 1 8 . 1 1 30 30 ARG C C 30 178.000 178.000 178.424 -0.424 25135 6323 1 8 . 1 1 30 30 ARG CA C 30 58.200 58.200 59.660 -1.460 25135 6324 1 8 . 1 1 30 30 ARG CB C 30 29.100 29.100 29.999 -0.899 25135 6325 1 8 . 1 1 30 30 ARG H H 30 7.810 7.810 7.511 0.299 25135 6326 1 8 . 1 1 31 31 LEU N N 31 120.600 120.600 120.686 -0.086 25135 6327 1 8 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.575 0.465 25135 6328 1 8 . 1 1 31 31 LEU C C 31 178.400 178.400 178.004 0.396 25135 6329 1 8 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.609 0.691 25135 6330 1 8 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.262 -0.062 25135 6331 1 8 . 1 1 31 31 LEU H H 31 7.310 7.310 7.755 -0.445 25135 6332 1 8 . 1 1 32 32 GLY N N 32 105.200 105.200 105.851 -0.651 25135 6333 1 8 . 1 1 32 32 GLY C C 32 175.600 175.600 175.966 -0.366 25135 6334 1 8 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.146 1.254 25135 6335 1 8 . 1 1 32 32 GLY H H 32 7.960 7.960 7.792 0.168 25135 6336 1 8 . 1 1 33 33 HIS N N 33 120.500 120.500 122.264 -1.764 25135 6337 1 8 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.175 0.055 25135 6338 1 8 . 1 1 33 33 HIS C C 33 179.400 179.400 178.078 1.322 25135 6339 1 8 . 1 1 33 33 HIS CA C 33 59.600 59.600 60.158 -0.558 25135 6340 1 8 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.147 0.453 25135 6341 1 8 . 1 1 33 33 HIS H H 33 8.340 8.340 8.532 -0.192 25135 6342 1 8 . 1 1 34 34 ARG N N 34 121.900 121.900 118.927 2.973 25135 6343 1 8 . 1 1 34 34 ARG HA H 34 3.870 3.870 3.975 -0.105 25135 6344 1 8 . 1 1 34 34 ARG C C 34 179.600 179.600 178.521 1.079 25135 6345 1 8 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.488 0.012 25135 6346 1 8 . 1 1 34 34 ARG CB C 34 30.100 30.100 29.858 0.242 25135 6347 1 8 . 1 1 34 34 ARG H H 34 8.680 8.680 8.582 0.098 25135 6348 1 8 . 1 1 35 35 VAL N N 35 118.500 118.500 120.603 -2.103 25135 6349 1 8 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.524 -0.114 25135 6350 1 8 . 1 1 35 35 VAL C C 35 177.600 177.600 177.922 -0.322 25135 6351 1 8 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.198 1.602 25135 6352 1 8 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.213 0.087 25135 6353 1 8 . 1 1 35 35 VAL H H 35 8.500 8.500 7.905 0.595 25135 6354 1 8 . 1 1 36 36 LEU N N 36 118.300 118.300 118.723 -0.423 25135 6355 1 8 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.784 0.117 25135 6356 1 8 . 1 1 36 36 LEU C C 36 179.600 179.600 179.040 0.560 25135 6357 1 8 . 1 1 36 36 LEU CA C 36 58.000 58.000 58.090 -0.090 25135 6358 1 8 . 1 1 36 36 LEU CB C 36 41.400 41.400 41.063 0.337 25135 6359 1 8 . 1 1 36 36 LEU H H 36 7.890 7.890 8.565 -0.675 25135 6360 1 8 . 1 1 37 37 GLY N N 37 104.900 104.900 104.881 0.019 25135 6361 1 8 . 1 1 37 37 GLY C C 37 175.700 175.700 175.248 0.452 25135 6362 1 8 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.598 0.102 25135 6363 1 8 . 1 1 37 37 GLY H H 37 7.760 7.760 8.042 -0.282 25135 6364 1 8 . 1 1 38 38 LEU N N 38 120.500 120.500 119.609 0.891 25135 6365 1 8 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.687 -0.097 25135 6366 1 8 . 1 1 38 38 LEU C C 38 176.900 176.900 178.380 -1.480 25135 6367 1 8 . 1 1 38 38 LEU CA C 38 56.500 56.500 56.063 0.437 25135 6368 1 8 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.253 -0.653 25135 6369 1 8 . 1 1 38 38 LEU H H 38 7.720 7.720 7.484 0.236 25135 6370 1 8 . 1 1 39 39 ILE N N 39 108.700 108.700 115.750 -7.050 25135 6371 1 8 . 1 1 39 39 ILE HA H 39 4.190 4.190 3.996 0.194 25135 6372 1 8 . 1 1 39 39 ILE C C 39 178.100 178.100 177.109 0.991 25135 6373 1 8 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.650 -0.950 25135 6374 1 8 . 1 1 39 39 ILE CB C 39 38.500 38.500 37.900 0.600 25135 6375 1 8 . 1 1 39 39 ILE H H 39 7.540 7.540 7.037 0.503 25135 6376 1 8 . 1 1 40 40 LYS N N 40 122.800 122.800 121.842 0.958 25135 6377 1 8 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.271 0.159 25135 6378 1 8 . 1 1 40 40 LYS CA C 40 60.700 60.700 60.264 0.436 25135 6379 1 8 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.449 -0.049 25135 6380 1 8 . 1 1 40 40 LYS H H 40 7.600 7.600 8.520 -0.920 25135 6381 1 8 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.330 0.100 25135 6382 1 8 . 1 1 41 41 PRO C C 41 178.700 178.700 178.766 -0.066 25135 6383 1 8 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.684 -0.184 25135 6384 1 8 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.515 0.085 25135 6385 1 8 . 1 1 42 42 LEU N N 42 114.400 114.400 117.778 -3.378 25135 6386 1 8 . 1 1 42 42 LEU HA H 42 4.060 4.060 3.988 0.072 25135 6387 1 8 . 1 1 42 42 LEU C C 42 178.800 178.800 179.074 -0.274 25135 6388 1 8 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.788 -0.688 25135 6389 1 8 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.164 -0.864 25135 6390 1 8 . 1 1 42 42 LEU H H 42 7.200 7.200 7.768 -0.568 25135 6391 1 8 . 1 1 43 43 GLU N N 43 119.200 119.200 118.588 0.612 25135 6392 1 8 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.976 -0.056 25135 6393 1 8 . 1 1 43 43 GLU C C 43 179.100 179.100 178.677 0.423 25135 6394 1 8 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.574 -0.074 25135 6395 1 8 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.342 0.758 25135 6396 1 8 . 1 1 43 43 GLU H H 43 8.120 8.120 8.120 0.000 25135 6397 1 8 . 1 1 44 44 MET N N 44 116.500 116.500 115.115 1.385 25135 6398 1 8 . 1 1 44 44 MET HA H 44 4.310 4.310 4.262 0.048 25135 6399 1 8 . 1 1 44 44 MET C C 44 177.900 177.900 177.097 0.803 25135 6400 1 8 . 1 1 44 44 MET CA C 44 57.600 57.600 57.555 0.045 25135 6401 1 8 . 1 1 44 44 MET CB C 44 32.500 32.500 33.008 -0.508 25135 6402 1 8 . 1 1 44 44 MET H H 44 7.600 7.600 7.577 0.023 25135 6403 1 8 . 1 1 45 45 LEU N N 45 119.900 119.900 117.533 2.367 25135 6404 1 8 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.311 -0.161 25135 6405 1 8 . 1 1 45 45 LEU C C 45 178.000 178.000 178.715 -0.715 25135 6406 1 8 . 1 1 45 45 LEU CA C 45 56.600 56.600 57.865 -1.265 25135 6407 1 8 . 1 1 45 45 LEU CB C 45 42.000 42.000 43.210 -1.210 25135 6408 1 8 . 1 1 45 45 LEU H H 45 7.620 7.620 7.806 -0.186 25135 6409 1 8 . 1 1 46 46 GLN N N 46 118.300 118.300 118.388 -0.088 25135 6410 1 8 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.151 -0.131 25135 6411 1 8 . 1 1 46 46 GLN C C 46 176.500 176.500 178.240 -1.740 25135 6412 1 8 . 1 1 46 46 GLN CA C 46 57.700 57.700 58.200 -0.500 25135 6413 1 8 . 1 1 46 46 GLN CB C 46 29.500 29.500 27.939 1.561 25135 6414 1 8 . 1 1 46 46 GLN H H 46 7.950 7.950 8.689 -0.739 25135 6415 1 8 . 1 1 47 47 ASP N N 47 119.000 119.000 120.095 -1.095 25135 6416 1 8 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.386 0.184 25135 6417 1 8 . 1 1 47 47 ASP C C 47 176.900 176.900 178.521 -1.621 25135 6418 1 8 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.632 -1.332 25135 6419 1 8 . 1 1 47 47 ASP CB C 47 41.300 41.300 40.951 0.349 25135 6420 1 8 . 1 1 47 47 ASP H H 47 7.890 7.890 7.679 0.211 25135 6421 1 8 . 1 1 48 48 GLN N N 48 119.500 119.500 117.382 2.118 25135 6422 1 8 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.113 0.117 25135 6423 1 8 . 1 1 48 48 GLN C C 48 177.200 177.200 176.865 0.335 25135 6424 1 8 . 1 1 48 48 GLN CA C 48 56.700 56.700 57.089 -0.389 25135 6425 1 8 . 1 1 48 48 GLN CB C 48 29.300 29.300 29.383 -0.083 25135 6426 1 8 . 1 1 48 48 GLN H H 48 8.080 8.080 7.729 0.351 25135 6427 1 8 . 1 1 49 49 GLY N N 49 108.100 108.100 106.584 1.516 25135 6428 1 8 . 1 1 49 49 GLY C C 49 174.300 174.300 174.401 -0.101 25135 6429 1 8 . 1 1 49 49 GLY CA C 49 46.000 46.000 44.732 1.268 25135 6430 1 8 . 1 1 49 49 GLY H H 49 8.270 8.270 7.744 0.526 25135 6431 1 8 . 1 1 50 50 LYS N N 50 120.200 120.200 122.023 -1.823 25135 6432 1 8 . 1 1 50 50 LYS HA H 50 4.320 4.320 4.303 0.017 25135 6433 1 8 . 1 1 50 50 LYS C C 50 176.400 176.400 175.596 0.804 25135 6434 1 8 . 1 1 50 50 LYS CA C 50 56.500 56.500 54.271 2.229 25135 6435 1 8 . 1 1 50 50 LYS CB C 50 32.900 32.900 31.807 1.093 25135 6436 1 8 . 1 1 50 50 LYS H H 50 8.130 8.130 8.204 -0.074 25135 6437 1 8 . 1 1 51 51 ARG N N 51 121.300 121.300 119.214 2.086 25135 6438 1 8 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.074 0.386 25135 6439 1 8 . 1 1 51 51 ARG C C 51 176.100 176.100 174.433 1.667 25135 6440 1 8 . 1 1 51 51 ARG CA C 51 56.000 56.000 57.038 -1.038 25135 6441 1 8 . 1 1 51 51 ARG CB C 51 31.200 31.200 30.292 0.908 25135 6442 1 8 . 1 1 51 51 ARG H H 51 8.260 8.260 7.478 0.782 25135 6443 1 8 . 1 1 52 52 SER N N 52 116.900 116.900 118.431 -1.531 25135 6444 1 8 . 1 1 52 52 SER HA H 52 4.550 4.550 4.697 -0.147 25135 6445 1 8 . 1 1 52 52 SER C C 52 173.900 173.900 173.555 0.345 25135 6446 1 8 . 1 1 52 52 SER CA C 52 57.800 57.800 57.747 0.053 25135 6447 1 8 . 1 1 52 52 SER CB C 52 64.300 64.300 64.412 -0.112 25135 6448 1 8 . 1 1 52 52 SER H H 52 8.150 8.150 8.500 -0.350 25135 6449 1 8 . 1 1 53 53 VAL N N 53 124.300 124.300 125.252 -0.952 25135 6450 1 8 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.406 -0.116 25135 6451 1 8 . 1 1 53 53 VAL CA C 53 60.400 60.400 58.749 1.651 25135 6452 1 8 . 1 1 53 53 VAL CB C 53 32.500 32.500 32.914 -0.414 25135 6453 1 8 . 1 1 53 53 VAL H H 53 8.420 8.420 8.102 0.318 25135 6454 1 8 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.541 -0.051 25135 6455 1 8 . 1 1 54 54 PRO C C 54 176.600 176.600 176.423 0.177 25135 6456 1 8 . 1 1 54 54 PRO CA C 54 62.500 62.500 63.055 -0.555 25135 6457 1 8 . 1 1 54 54 PRO CB C 54 32.600 32.600 30.315 2.285 25135 6458 1 8 . 1 1 55 55 SER N N 55 119.500 119.500 118.829 0.671 25135 6459 1 8 . 1 1 55 55 SER HA H 55 4.370 4.370 4.410 -0.040 25135 6460 1 8 . 1 1 55 55 SER C C 55 175.500 175.500 175.477 0.023 25135 6461 1 8 . 1 1 55 55 SER CA C 55 58.200 58.200 57.418 0.782 25135 6462 1 8 . 1 1 55 55 SER CB C 55 64.200 64.200 65.025 -0.825 25135 6463 1 8 . 1 1 55 55 SER H H 55 8.970 8.970 8.331 0.639 25135 6464 1 8 . 1 1 56 56 GLU N N 56 123.000 123.000 122.197 0.803 25135 6465 1 8 . 1 1 56 56 GLU HA H 56 4.140 4.140 4.157 -0.017 25135 6466 1 8 . 1 1 56 56 GLU C C 56 179.300 179.300 178.447 0.853 25135 6467 1 8 . 1 1 56 56 GLU CA C 56 59.700 59.700 59.277 0.423 25135 6468 1 8 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.563 -0.363 25135 6469 1 8 . 1 1 56 56 GLU H H 56 9.030 9.030 9.000 0.030 25135 6470 1 8 . 1 1 57 57 LYS N N 57 118.900 118.900 119.829 -0.929 25135 6471 1 8 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.111 -0.111 25135 6472 1 8 . 1 1 57 57 LYS C C 57 179.400 179.400 178.686 0.714 25135 6473 1 8 . 1 1 57 57 LYS CA C 57 59.600 59.600 59.221 0.379 25135 6474 1 8 . 1 1 57 57 LYS CB C 57 32.700 32.700 32.526 0.173 25135 6475 1 8 . 1 1 57 57 LYS H H 57 8.150 8.150 8.044 0.106 25135 6476 1 8 . 1 1 58 58 LEU N N 58 122.800 122.800 120.770 2.030 25135 6477 1 8 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.056 0.044 25135 6478 1 8 . 1 1 58 58 LEU C C 58 178.200 178.200 178.065 0.135 25135 6479 1 8 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.294 0.006 25135 6480 1 8 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.620 -1.121 25135 6481 1 8 . 1 1 58 58 LEU H H 58 8.420 8.420 8.375 0.045 25135 6482 1 8 . 1 1 59 59 THR N N 59 117.800 117.800 113.022 4.778 25135 6483 1 8 . 1 1 59 59 THR HA H 59 3.730 3.730 3.991 -0.261 25135 6484 1 8 . 1 1 59 59 THR C C 59 176.800 176.800 176.424 0.376 25135 6485 1 8 . 1 1 59 59 THR CA C 59 67.500 67.500 66.642 0.858 25135 6486 1 8 . 1 1 59 59 THR CB C 59 68.400 68.400 68.317 0.083 25135 6487 1 8 . 1 1 59 59 THR H H 59 8.600 8.600 7.715 0.885 25135 6488 1 8 . 1 1 60 60 THR N N 60 118.300 118.300 117.438 0.862 25135 6489 1 8 . 1 1 60 60 THR HA H 60 3.980 3.980 4.002 -0.022 25135 6490 1 8 . 1 1 60 60 THR C C 60 176.400 176.400 175.847 0.553 25135 6491 1 8 . 1 1 60 60 THR CA C 60 66.900 66.900 66.867 0.033 25135 6492 1 8 . 1 1 60 60 THR CB C 60 68.400 68.400 68.730 -0.330 25135 6493 1 8 . 1 1 60 60 THR H H 60 8.390 8.390 7.567 0.823 25135 6494 1 8 . 1 1 61 61 ALA N N 61 124.900 124.900 124.728 0.172 25135 6495 1 8 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.097 0.023 25135 6496 1 8 . 1 1 61 61 ALA C C 61 180.000 180.000 179.507 0.493 25135 6497 1 8 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.287 0.513 25135 6498 1 8 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.372 0.428 25135 6499 1 8 . 1 1 61 61 ALA H H 61 8.090 8.090 7.711 0.379 25135 6500 1 8 . 1 1 62 62 MET N N 62 118.300 118.300 117.653 0.647 25135 6501 1 8 . 1 1 62 62 MET HA H 62 4.110 4.110 4.235 -0.125 25135 6502 1 8 . 1 1 62 62 MET C C 62 178.300 178.300 178.727 -0.427 25135 6503 1 8 . 1 1 62 62 MET CA C 62 59.600 59.600 59.746 -0.146 25135 6504 1 8 . 1 1 62 62 MET CB C 62 32.500 32.500 32.230 0.270 25135 6505 1 8 . 1 1 62 62 MET H H 62 8.820 8.820 8.581 0.239 25135 6506 1 8 . 1 1 63 63 ASN N N 63 119.500 119.500 118.554 0.946 25135 6507 1 8 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.500 0.080 25135 6508 1 8 . 1 1 63 63 ASN C C 63 179.000 179.000 177.840 1.160 25135 6509 1 8 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.790 -0.490 25135 6510 1 8 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.353 -0.653 25135 6511 1 8 . 1 1 63 63 ASN H H 63 8.320 8.320 8.780 -0.460 25135 6512 1 8 . 1 1 64 64 ARG N N 64 122.500 122.500 120.402 2.098 25135 6513 1 8 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.154 0.036 25135 6514 1 8 . 1 1 64 64 ARG C C 64 179.300 179.300 179.074 0.226 25135 6515 1 8 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.410 0.290 25135 6516 1 8 . 1 1 64 64 ARG CB C 64 30.700 30.700 30.067 0.633 25135 6517 1 8 . 1 1 64 64 ARG H H 64 8.560 8.560 8.063 0.497 25135 6518 1 8 . 1 1 65 65 PHE N N 65 123.100 123.100 122.364 0.736 25135 6519 1 8 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.303 0.167 25135 6520 1 8 . 1 1 65 65 PHE C C 65 176.400 176.400 176.975 -0.575 25135 6521 1 8 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.509 1.091 25135 6522 1 8 . 1 1 65 65 PHE CB C 65 39.400 39.400 38.958 0.442 25135 6523 1 8 . 1 1 65 65 PHE H H 65 8.560 8.560 8.791 -0.231 25135 6524 1 8 . 1 1 66 66 LYS N N 66 119.800 119.800 119.629 0.171 25135 6525 1 8 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.803 -0.183 25135 6526 1 8 . 1 1 66 66 LYS C C 66 177.600 177.600 178.860 -1.260 25135 6527 1 8 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.686 1.014 25135 6528 1 8 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.310 0.190 25135 6529 1 8 . 1 1 66 66 LYS H H 66 8.610 8.610 8.888 -0.278 25135 6530 1 8 . 1 1 67 67 ALA N N 67 119.000 119.000 121.423 -2.423 25135 6531 1 8 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.244 -0.014 25135 6532 1 8 . 1 1 67 67 ALA C C 67 180.400 180.400 179.380 1.020 25135 6533 1 8 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.567 0.433 25135 6534 1 8 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.520 -0.520 25135 6535 1 8 . 1 1 67 67 ALA H H 67 8.000 8.000 8.274 -0.274 25135 6536 1 8 . 1 1 68 68 ALA N N 68 122.200 122.200 121.845 0.355 25135 6537 1 8 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.101 0.089 25135 6538 1 8 . 1 1 68 68 ALA C C 68 179.800 179.800 179.818 -0.018 25135 6539 1 8 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.851 0.349 25135 6540 1 8 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.312 -0.512 25135 6541 1 8 . 1 1 68 68 ALA H H 68 7.950 7.950 8.399 -0.450 25135 6542 1 8 . 1 1 69 69 LEU N N 69 118.900 118.900 119.255 -0.355 25135 6543 1 8 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.830 0.020 25135 6544 1 8 . 1 1 69 69 LEU C C 69 179.200 179.200 178.929 0.271 25135 6545 1 8 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.285 -0.785 25135 6546 1 8 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.637 -0.237 25135 6547 1 8 . 1 1 69 69 LEU H H 69 8.020 8.020 8.379 -0.359 25135 6548 1 8 . 1 1 70 70 GLU N N 70 120.500 120.500 118.874 1.626 25135 6549 1 8 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.836 0.104 25135 6550 1 8 . 1 1 70 70 GLU C C 70 180.500 180.500 179.240 1.260 25135 6551 1 8 . 1 1 70 70 GLU CA C 70 59.900 59.900 59.635 0.265 25135 6552 1 8 . 1 1 70 70 GLU CB C 70 29.200 29.200 29.245 -0.045 25135 6553 1 8 . 1 1 70 70 GLU H H 70 8.590 8.590 7.761 0.829 25135 6554 1 8 . 1 1 71 71 GLU N N 71 122.200 122.200 118.390 3.810 25135 6555 1 8 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.074 -0.004 25135 6556 1 8 . 1 1 71 71 GLU C C 71 179.600 179.600 178.792 0.808 25135 6557 1 8 . 1 1 71 71 GLU CA C 71 59.400 59.400 59.115 0.285 25135 6558 1 8 . 1 1 71 71 GLU CB C 71 29.400 29.400 28.560 0.840 25135 6559 1 8 . 1 1 71 71 GLU H H 71 8.300 8.300 7.720 0.580 25135 6560 1 8 . 1 1 72 72 ALA N N 72 122.800 122.800 122.994 -0.194 25135 6561 1 8 . 1 1 72 72 ALA HA H 72 3.890 3.890 4.048 -0.158 25135 6562 1 8 . 1 1 72 72 ALA C C 72 178.500 178.500 179.907 -1.407 25135 6563 1 8 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.149 0.551 25135 6564 1 8 . 1 1 72 72 ALA CB C 72 17.200 17.200 18.043 -0.843 25135 6565 1 8 . 1 1 72 72 ALA H H 72 8.330 8.330 7.967 0.363 25135 6566 1 8 . 1 1 73 73 ASN N N 73 115.700 115.700 117.171 -1.471 25135 6567 1 8 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.362 0.088 25135 6568 1 8 . 1 1 73 73 ASN C C 73 177.600 177.600 177.939 -0.339 25135 6569 1 8 . 1 1 73 73 ASN CA C 73 56.300 56.300 55.739 0.561 25135 6570 1 8 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.226 0.674 25135 6571 1 8 . 1 1 73 73 ASN H H 73 8.460 8.460 8.600 -0.140 25135 6572 1 8 . 1 1 74 74 GLY N N 74 105.500 105.500 107.641 -2.141 25135 6573 1 8 . 1 1 74 74 GLY C C 74 177.100 177.100 175.811 1.289 25135 6574 1 8 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.818 0.182 25135 6575 1 8 . 1 1 74 74 GLY H H 74 8.070 8.070 8.430 -0.360 25135 6576 1 8 . 1 1 75 75 GLU N N 75 123.500 123.500 123.100 0.400 25135 6577 1 8 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.842 0.268 25135 6578 1 8 . 1 1 75 75 GLU C C 75 178.500 178.500 179.055 -0.555 25135 6579 1 8 . 1 1 75 75 GLU CA C 75 58.700 58.700 58.704 -0.004 25135 6580 1 8 . 1 1 75 75 GLU CB C 75 29.900 29.900 28.950 0.950 25135 6581 1 8 . 1 1 75 75 GLU H H 75 8.110 8.110 8.376 -0.266 25135 6582 1 8 . 1 1 76 76 ILE N N 76 120.300 120.300 119.939 0.361 25135 6583 1 8 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.915 -0.095 25135 6584 1 8 . 1 1 76 76 ILE C C 76 178.300 178.300 178.081 0.219 25135 6585 1 8 . 1 1 76 76 ILE CA C 76 65.500 65.500 65.330 0.170 25135 6586 1 8 . 1 1 76 76 ILE CB C 76 37.900 37.900 37.815 0.085 25135 6587 1 8 . 1 1 76 76 ILE H H 76 8.330 8.330 8.611 -0.281 25135 6588 1 8 . 1 1 77 77 GLU N N 77 119.400 119.400 121.425 -2.025 25135 6589 1 8 . 1 1 77 77 GLU HA H 77 3.920 3.920 4.100 -0.180 25135 6590 1 8 . 1 1 77 77 GLU C C 77 180.200 180.200 179.229 0.971 25135 6591 1 8 . 1 1 77 77 GLU CA C 77 59.700 59.700 59.054 0.646 25135 6592 1 8 . 1 1 77 77 GLU CB C 77 29.300 29.300 29.596 -0.297 25135 6593 1 8 . 1 1 77 77 GLU H H 77 7.860 7.860 7.963 -0.103 25135 6594 1 8 . 1 1 78 78 LYS N N 78 121.600 121.600 119.382 2.218 25135 6595 1 8 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.036 -0.136 25135 6596 1 8 . 1 1 78 78 LYS C C 78 179.200 179.200 177.894 1.306 25135 6597 1 8 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.497 1.403 25135 6598 1 8 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.197 0.103 25135 6599 1 8 . 1 1 78 78 LYS H H 78 7.760 7.760 8.331 -0.571 25135 6600 1 8 . 1 1 79 79 PHE N N 79 115.900 115.900 115.409 0.491 25135 6601 1 8 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.577 0.103 25135 6602 1 8 . 1 1 79 79 PHE C C 79 174.100 174.100 176.138 -2.038 25135 6603 1 8 . 1 1 79 79 PHE CA C 79 58.200 58.200 57.536 0.664 25135 6604 1 8 . 1 1 79 79 PHE CB C 79 36.900 36.900 39.039 -2.139 25135 6605 1 8 . 1 1 79 79 PHE H H 79 8.170 8.170 7.565 0.605 25135 6606 1 8 . 1 1 80 80 SER N N 80 113.300 113.300 114.036 -0.736 25135 6607 1 8 . 1 1 80 80 SER HA H 80 4.500 4.500 4.235 0.265 25135 6608 1 8 . 1 1 80 80 SER C C 80 173.700 173.700 174.218 -0.518 25135 6609 1 8 . 1 1 80 80 SER CA C 80 60.500 60.500 61.002 -0.502 25135 6610 1 8 . 1 1 80 80 SER CB C 80 63.400 63.400 63.596 -0.196 25135 6611 1 8 . 1 1 80 80 SER H H 80 7.700 7.700 7.440 0.260 25135 6612 1 8 . 1 1 81 81 ASN N N 81 119.500 119.500 119.546 -0.046 25135 6613 1 8 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.710 0.260 25135 6614 1 8 . 1 1 81 81 ASN CA C 81 52.100 52.100 53.391 -1.291 25135 6615 1 8 . 1 1 81 81 ASN CB C 81 40.300 40.300 38.969 1.331 25135 6616 1 8 . 1 1 81 81 ASN H H 81 7.290 7.290 7.845 -0.555 25135 6617 1 8 . 1 1 82 82 ARG N N 82 127.400 127.400 126.629 0.771 25135 6618 1 8 . 1 1 82 82 ARG HA H 82 3.590 3.590 2.810 0.780 25135 6619 1 8 . 1 1 82 82 ARG C C 82 177.700 177.700 177.236 0.464 25135 6620 1 8 . 1 1 82 82 ARG CA C 82 59.800 59.800 59.498 0.302 25135 6621 1 8 . 1 1 82 82 ARG CB C 82 30.100 30.100 29.092 1.008 25135 6622 1 8 . 1 1 82 82 ARG H H 82 9.050 9.050 8.595 0.455 25135 6623 1 8 . 1 1 83 83 SER N N 83 114.600 114.600 114.337 0.263 25135 6624 1 8 . 1 1 83 83 SER HA H 83 3.930 3.930 4.191 -0.261 25135 6625 1 8 . 1 1 83 83 SER C C 83 177.100 177.100 176.730 0.370 25135 6626 1 8 . 1 1 83 83 SER CA C 83 62.200 62.200 61.665 0.535 25135 6627 1 8 . 1 1 83 83 SER CB C 83 62.000 62.000 62.441 -0.442 25135 6628 1 8 . 1 1 83 83 SER H H 83 8.390 8.390 8.472 -0.082 25135 6629 1 8 . 1 1 84 84 ASN N N 84 119.700 119.700 120.108 -0.408 25135 6630 1 8 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.625 -0.025 25135 6631 1 8 . 1 1 84 84 ASN C C 84 179.100 179.100 177.742 1.358 25135 6632 1 8 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.831 -0.431 25135 6633 1 8 . 1 1 84 84 ASN CB C 84 37.600 37.600 38.535 -0.935 25135 6634 1 8 . 1 1 84 84 ASN H H 84 7.980 7.980 7.799 0.181 25135 6635 1 8 . 1 1 85 85 ILE N N 85 122.100 122.100 121.236 0.864 25135 6636 1 8 . 1 1 85 85 ILE HA H 85 3.820 3.820 4.016 -0.196 25135 6637 1 8 . 1 1 85 85 ILE C C 85 176.900 176.900 177.547 -0.647 25135 6638 1 8 . 1 1 85 85 ILE CA C 85 64.700 64.700 65.036 -0.336 25135 6639 1 8 . 1 1 85 85 ILE CB C 85 37.400 37.400 36.986 0.414 25135 6640 1 8 . 1 1 85 85 ILE H H 85 7.760 7.760 7.716 0.044 25135 6641 1 8 . 1 1 86 86 CYS N N 86 119.200 119.200 117.480 1.720 25135 6642 1 8 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.600 0.340 25135 6643 1 8 . 1 1 86 86 CYS C C 86 177.400 177.400 176.814 0.586 25135 6644 1 8 . 1 1 86 86 CYS CA C 86 63.800 63.800 62.313 1.487 25135 6645 1 8 . 1 1 86 86 CYS CB C 86 26.900 26.900 26.097 0.803 25135 6646 1 8 . 1 1 86 86 CYS H H 86 8.330 8.330 8.072 0.258 25135 6647 1 8 . 1 1 87 87 ARG N N 87 119.200 119.200 120.927 -1.727 25135 6648 1 8 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.205 -0.185 25135 6649 1 8 . 1 1 87 87 ARG C C 87 178.500 178.500 178.177 0.323 25135 6650 1 8 . 1 1 87 87 ARG CA C 87 59.500 59.500 58.366 1.134 25135 6651 1 8 . 1 1 87 87 ARG CB C 87 30.300 30.300 29.485 0.815 25135 6652 1 8 . 1 1 87 87 ARG H H 87 7.900 7.900 7.656 0.244 25135 6653 1 8 . 1 1 88 88 PHE N N 88 120.300 120.300 121.811 -1.511 25135 6654 1 8 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.527 -0.307 25135 6655 1 8 . 1 1 88 88 PHE C C 88 177.200 177.200 176.276 0.924 25135 6656 1 8 . 1 1 88 88 PHE CA C 88 61.500 61.500 59.791 1.709 25135 6657 1 8 . 1 1 88 88 PHE CB C 88 39.800 39.800 39.799 0.001 25135 6658 1 8 . 1 1 88 88 PHE H H 88 7.760 7.760 8.094 -0.334 25135 6659 1 8 . 1 1 89 89 LEU N N 89 117.900 117.900 120.161 -2.261 25135 6660 1 8 . 1 1 89 89 LEU HA H 89 3.640 3.640 2.912 0.728 25135 6661 1 8 . 1 1 89 89 LEU C C 89 178.700 178.700 178.737 -0.037 25135 6662 1 8 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.718 -0.318 25135 6663 1 8 . 1 1 89 89 LEU CB C 89 41.600 41.600 40.889 0.711 25135 6664 1 8 . 1 1 89 89 LEU H H 89 8.590 8.590 8.313 0.277 25135 6665 1 8 . 1 1 90 90 THR N N 90 112.000 112.000 112.425 -0.425 25135 6666 1 8 . 1 1 90 90 THR HA H 90 3.980 3.980 4.031 -0.051 25135 6667 1 8 . 1 1 90 90 THR C C 90 174.900 174.900 175.690 -0.790 25135 6668 1 8 . 1 1 90 90 THR CA C 90 65.200 65.200 65.483 -0.283 25135 6669 1 8 . 1 1 90 90 THR CB C 90 69.300 69.300 68.789 0.511 25135 6670 1 8 . 1 1 90 90 THR H H 90 7.690 7.690 7.577 0.113 25135 6671 1 8 . 1 1 91 91 ALA N N 91 122.400 122.400 120.884 1.516 25135 6672 1 8 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.258 0.012 25135 6673 1 8 . 1 1 91 91 ALA C C 91 177.500 177.500 177.698 -0.198 25135 6674 1 8 . 1 1 91 91 ALA CA C 91 53.000 53.000 53.001 -0.001 25135 6675 1 8 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.070 0.930 25135 6676 1 8 . 1 1 91 91 ALA H H 91 7.220 7.220 7.559 -0.339 25135 6677 1 8 . 1 1 92 92 SER N N 92 112.900 112.900 111.942 0.958 25135 6678 1 8 . 1 1 92 92 SER HA H 92 4.130 4.130 4.178 -0.048 25135 6679 1 8 . 1 1 92 92 SER CA C 92 57.600 57.600 59.033 -1.433 25135 6680 1 8 . 1 1 92 92 SER CB C 92 64.000 64.000 61.004 2.996 25135 6681 1 8 . 1 1 92 92 SER H H 92 7.510 7.510 8.059 -0.549 25135 6682 1 8 . 1 1 93 93 GLN N N 93 125.700 125.700 122.873 2.827 25135 6683 1 8 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.201 -0.001 25135 6684 1 8 . 1 1 93 93 GLN C C 93 176.700 176.700 176.313 0.387 25135 6685 1 8 . 1 1 93 93 GLN CA C 93 57.700 57.700 59.060 -1.360 25135 6686 1 8 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.590 -0.591 25135 6687 1 8 . 1 1 93 93 GLN H H 93 8.710 8.710 8.355 0.355 25135 6688 1 8 . 1 1 94 94 ASP N N 94 116.400 116.400 114.562 1.838 25135 6689 1 8 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.749 -0.189 25135 6690 1 8 . 1 1 94 94 ASP CA C 94 54.000 54.000 54.338 -0.338 25135 6691 1 8 . 1 1 94 94 ASP CB C 94 41.700 41.700 41.279 0.421 25135 6692 1 8 . 1 1 94 94 ASP H H 94 7.800 7.800 8.401 -0.601 25135 6693 1 8 . 1 1 95 95 LYS N N 95 114.300 114.300 117.355 -3.055 25135 6694 1 8 . 1 1 95 95 LYS H H 95 8.290 8.290 8.760 -0.470 25135 6695 1 8 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.455 -0.135 25135 6696 1 8 . 1 1 96 96 ILE C C 96 177.000 177.000 176.895 0.105 25135 6697 1 8 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.842 0.958 25135 6698 1 8 . 1 1 96 96 ILE CB C 96 38.100 38.100 40.872 -2.772 25135 6699 1 8 . 1 1 97 97 LEU N N 97 131.100 131.100 128.439 2.661 25135 6700 1 8 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.616 -0.496 25135 6701 1 8 . 1 1 97 97 LEU C C 97 177.200 177.200 177.427 -0.227 25135 6702 1 8 . 1 1 97 97 LEU CA C 97 58.000 58.000 58.752 -0.752 25135 6703 1 8 . 1 1 97 97 LEU CB C 97 42.900 42.900 41.959 0.941 25135 6704 1 8 . 1 1 97 97 LEU H H 97 8.620 8.620 9.026 -0.406 25135 6705 1 8 . 1 1 98 98 PHE N N 98 113.600 113.600 111.447 2.153 25135 6706 1 8 . 1 1 98 98 PHE HA H 98 5.100 5.100 4.890 0.210 25135 6707 1 8 . 1 1 98 98 PHE C C 98 175.400 175.400 175.080 0.320 25135 6708 1 8 . 1 1 98 98 PHE CA C 98 55.700 55.700 54.608 1.092 25135 6709 1 8 . 1 1 98 98 PHE CB C 98 37.600 37.600 37.324 0.276 25135 6710 1 8 . 1 1 98 98 PHE H H 98 8.450 8.450 8.081 0.369 25135 6711 1 8 . 1 1 99 99 LYS N N 99 119.500 119.500 123.918 -4.418 25135 6712 1 8 . 1 1 99 99 LYS HA H 99 3.880 3.880 3.923 -0.043 25135 6713 1 8 . 1 1 99 99 LYS C C 99 178.900 178.900 177.749 1.151 25135 6714 1 8 . 1 1 99 99 LYS CA C 99 61.100 61.100 60.047 1.053 25135 6715 1 8 . 1 1 99 99 LYS CB C 99 33.500 33.500 32.776 0.724 25135 6716 1 8 . 1 1 99 99 LYS H H 99 6.790 6.790 7.381 -0.591 25135 6717 1 8 . 1 1 100 100 ASP N N 100 117.800 117.800 119.525 -1.725 25135 6718 1 8 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.397 0.213 25135 6719 1 8 . 1 1 100 100 ASP C C 100 179.000 179.000 178.238 0.762 25135 6720 1 8 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.596 0.204 25135 6721 1 8 . 1 1 100 100 ASP CB C 100 40.400 40.400 40.274 0.126 25135 6722 1 8 . 1 1 100 100 ASP H H 100 8.520 8.520 8.625 -0.105 25135 6723 1 8 . 1 1 101 101 VAL N N 101 122.600 122.600 119.138 3.462 25135 6724 1 8 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.849 0.011 25135 6725 1 8 . 1 1 101 101 VAL C C 101 177.100 177.100 178.049 -0.949 25135 6726 1 8 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.727 -1.027 25135 6727 1 8 . 1 1 101 101 VAL CB C 101 32.300 32.300 31.880 0.420 25135 6728 1 8 . 1 1 101 101 VAL H H 101 8.210 8.210 7.978 0.232 25135 6729 1 8 . 1 1 102 102 ASN N N 102 121.000 121.000 117.853 3.147 25135 6730 1 8 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.877 -0.317 25135 6731 1 8 . 1 1 102 102 ASN C C 102 178.500 178.500 177.817 0.683 25135 6732 1 8 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.340 -0.140 25135 6733 1 8 . 1 1 102 102 ASN CB C 102 37.900 37.900 37.931 -0.031 25135 6734 1 8 . 1 1 102 102 ASN H H 102 9.060 9.060 8.462 0.598 25135 6735 1 8 . 1 1 103 103 ARG N N 103 120.700 120.700 119.497 1.203 25135 6736 1 8 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.267 -0.107 25135 6737 1 8 . 1 1 103 103 ARG C C 103 177.900 177.900 178.023 -0.123 25135 6738 1 8 . 1 1 103 103 ARG CA C 103 59.100 59.100 58.572 0.528 25135 6739 1 8 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.555 -0.655 25135 6740 1 8 . 1 1 103 103 ARG H H 103 7.640 7.640 8.104 -0.464 25135 6741 1 8 . 1 1 104 104 LYS N N 104 119.700 119.700 120.654 -0.954 25135 6742 1 8 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.290 -0.100 25135 6743 1 8 . 1 1 104 104 LYS C C 104 179.300 179.300 178.782 0.518 25135 6744 1 8 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.383 0.717 25135 6745 1 8 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.478 0.022 25135 6746 1 8 . 1 1 104 104 LYS H H 104 7.960 7.960 8.146 -0.186 25135 6747 1 8 . 1 1 105 105 LEU N N 105 118.200 118.200 121.497 -3.297 25135 6748 1 8 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.205 -0.165 25135 6749 1 8 . 1 1 105 105 LEU C C 105 178.400 178.400 178.718 -0.318 25135 6750 1 8 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.255 0.245 25135 6751 1 8 . 1 1 105 105 LEU CB C 105 42.500 42.500 41.957 0.543 25135 6752 1 8 . 1 1 105 105 LEU H H 105 8.990 8.990 9.037 -0.048 25135 6753 1 8 . 1 1 106 106 SER N N 106 111.700 111.700 114.415 -2.715 25135 6754 1 8 . 1 1 106 106 SER HA H 106 3.870 3.870 4.452 -0.582 25135 6755 1 8 . 1 1 106 106 SER C C 106 177.500 177.500 176.864 0.636 25135 6756 1 8 . 1 1 106 106 SER CA C 106 61.400 61.400 62.109 -0.709 25135 6757 1 8 . 1 1 106 106 SER CB C 106 62.600 62.600 62.476 0.124 25135 6758 1 8 . 1 1 106 106 SER H H 106 7.980 7.980 7.886 0.094 25135 6759 1 8 . 1 1 107 107 ASP N N 107 122.000 122.000 122.621 -0.621 25135 6760 1 8 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.358 0.082 25135 6761 1 8 . 1 1 107 107 ASP C C 107 179.700 179.700 178.845 0.855 25135 6762 1 8 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.591 0.309 25135 6763 1 8 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.721 -0.121 25135 6764 1 8 . 1 1 107 107 ASP H H 107 8.500 8.500 7.716 0.784 25135 6765 1 8 . 1 1 108 108 VAL N N 108 119.200 119.200 118.860 0.340 25135 6766 1 8 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.735 0.275 25135 6767 1 8 . 1 1 108 108 VAL C C 108 178.400 178.400 177.744 0.656 25135 6768 1 8 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.635 -1.035 25135 6769 1 8 . 1 1 108 108 VAL CB C 108 31.500 31.500 30.985 0.515 25135 6770 1 8 . 1 1 108 108 VAL H H 108 8.830 8.830 7.877 0.953 25135 6771 1 8 . 1 1 109 109 TRP N N 109 121.900 121.900 121.870 0.030 25135 6772 1 8 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.956 0.314 25135 6773 1 8 . 1 1 109 109 TRP C C 109 178.000 178.000 177.798 0.202 25135 6774 1 8 . 1 1 109 109 TRP CA C 109 60.100 60.100 60.053 0.047 25135 6775 1 8 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.388 0.312 25135 6776 1 8 . 1 1 109 109 TRP H H 109 8.710 8.710 7.927 0.783 25135 6777 1 8 . 1 1 110 110 LYS N N 110 119.500 119.500 118.656 0.844 25135 6778 1 8 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.726 -0.096 25135 6779 1 8 . 1 1 110 110 LYS C C 110 178.000 178.000 179.135 -1.135 25135 6780 1 8 . 1 1 110 110 LYS CA C 110 60.500 60.500 59.779 0.721 25135 6781 1 8 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.062 0.138 25135 6782 1 8 . 1 1 110 110 LYS H H 110 8.010 8.010 7.774 0.236 25135 6783 1 8 . 1 1 111 111 GLU N N 111 116.700 116.700 118.084 -1.384 25135 6784 1 8 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.117 -0.107 25135 6785 1 8 . 1 1 111 111 GLU C C 111 178.400 178.400 178.556 -0.156 25135 6786 1 8 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.123 0.677 25135 6787 1 8 . 1 1 111 111 GLU CB C 111 30.400 30.400 30.078 0.322 25135 6788 1 8 . 1 1 111 111 GLU H H 111 7.000 7.000 7.736 -0.736 25135 6789 1 8 . 1 1 112 112 LEU N N 112 119.000 119.000 121.567 -2.567 25135 6790 1 8 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.151 -0.411 25135 6791 1 8 . 1 1 112 112 LEU C C 112 177.600 177.600 177.524 0.076 25135 6792 1 8 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.129 0.671 25135 6793 1 8 . 1 1 112 112 LEU CB C 112 42.200 42.200 42.098 0.102 25135 6794 1 8 . 1 1 112 112 LEU H H 112 8.380 8.380 8.225 0.155 25135 6795 1 8 . 1 1 113 113 SER N N 113 113.100 113.100 114.823 -1.723 25135 6796 1 8 . 1 1 113 113 SER HA H 113 3.190 3.190 3.402 -0.212 25135 6797 1 8 . 1 1 113 113 SER C C 113 176.300 176.300 175.914 0.386 25135 6798 1 8 . 1 1 113 113 SER CA C 113 61.600 61.600 60.847 0.753 25135 6799 1 8 . 1 1 113 113 SER CB C 113 61.800 61.800 61.919 -0.119 25135 6800 1 8 . 1 1 113 113 SER H H 113 8.490 8.490 8.023 0.467 25135 6801 1 8 . 1 1 114 114 LEU N N 114 121.500 121.500 121.102 0.398 25135 6802 1 8 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.061 -0.041 25135 6803 1 8 . 1 1 114 114 LEU C C 114 179.100 179.100 177.368 1.732 25135 6804 1 8 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.041 0.959 25135 6805 1 8 . 1 1 114 114 LEU CB C 114 41.800 41.800 40.641 1.159 25135 6806 1 8 . 1 1 114 114 LEU H H 114 6.810 6.810 7.129 -0.319 25135 6807 1 8 . 1 1 115 115 LEU N N 115 118.200 118.200 118.629 -0.429 25135 6808 1 8 . 1 1 115 115 LEU HA H 115 4.060 4.060 4.029 0.031 25135 6809 1 8 . 1 1 115 115 LEU C C 115 179.600 179.600 178.906 0.694 25135 6810 1 8 . 1 1 115 115 LEU CA C 115 57.700 57.700 57.074 0.626 25135 6811 1 8 . 1 1 115 115 LEU CB C 115 43.100 43.100 42.073 1.027 25135 6812 1 8 . 1 1 115 115 LEU H H 115 7.270 7.270 7.059 0.211 25135 6813 1 8 . 1 1 116 116 LEU N N 116 118.700 118.700 120.264 -1.564 25135 6814 1 8 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.761 0.088 25135 6815 1 8 . 1 1 116 116 LEU C C 116 179.300 179.300 178.936 0.364 25135 6816 1 8 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.337 -0.737 25135 6817 1 8 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.669 -0.269 25135 6818 1 8 . 1 1 116 116 LEU H H 116 8.440 8.440 8.292 0.148 25135 6819 1 8 . 1 1 117 117 GLN N N 117 119.500 119.500 116.159 3.341 25135 6820 1 8 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.297 0.043 25135 6821 1 8 . 1 1 117 117 GLN C C 117 178.200 178.200 178.273 -0.073 25135 6822 1 8 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.361 0.439 25135 6823 1 8 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.144 0.656 25135 6824 1 8 . 1 1 117 117 GLN H H 117 8.030 8.030 8.085 -0.055 25135 6825 1 8 . 1 1 118 118 VAL N N 118 117.600 117.600 120.320 -2.720 25135 6826 1 8 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.814 0.026 25135 6827 1 8 . 1 1 118 118 VAL C C 118 177.900 177.900 177.384 0.516 25135 6828 1 8 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.151 0.249 25135 6829 1 8 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.441 1.460 25135 6830 1 8 . 1 1 118 118 VAL H H 118 8.110 8.110 7.779 0.331 25135 6831 1 8 . 1 1 119 119 GLU N N 119 116.900 116.900 117.346 -0.446 25135 6832 1 8 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.140 0.170 25135 6833 1 8 . 1 1 119 119 GLU C C 119 177.700 177.700 179.056 -1.356 25135 6834 1 8 . 1 1 119 119 GLU CA C 119 58.400 58.400 58.708 -0.308 25135 6835 1 8 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.797 0.903 25135 6836 1 8 . 1 1 119 119 GLU H H 119 8.620 8.620 8.365 0.255 25135 6837 1 8 . 1 1 120 120 GLN N N 120 113.300 113.300 116.719 -3.419 25135 6838 1 8 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.353 0.097 25135 6839 1 8 . 1 1 120 120 GLN C C 120 174.700 174.700 176.479 -1.779 25135 6840 1 8 . 1 1 120 120 GLN CA C 120 54.500 54.500 55.876 -1.375 25135 6841 1 8 . 1 1 120 120 GLN CB C 120 28.600 28.600 29.696 -1.096 25135 6842 1 8 . 1 1 120 120 GLN H H 120 7.350 7.350 8.219 -0.869 25135 6843 1 8 . 1 1 121 121 ARG N N 121 114.800 114.800 114.586 0.214 25135 6844 1 8 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.160 -0.040 25135 6845 1 8 . 1 1 121 121 ARG C C 121 175.600 175.600 175.655 -0.055 25135 6846 1 8 . 1 1 121 121 ARG CA C 121 56.600 56.600 56.974 -0.374 25135 6847 1 8 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.562 0.138 25135 6848 1 8 . 1 1 121 121 ARG H H 121 7.410 7.410 7.629 -0.219 25135 6849 1 8 . 1 1 122 122 MET N N 122 120.300 120.300 117.727 2.573 25135 6850 1 8 . 1 1 122 122 MET HA H 122 4.600 4.600 4.854 -0.254 25135 6851 1 8 . 1 1 122 122 MET CA C 122 53.700 53.700 53.379 0.321 25135 6852 1 8 . 1 1 122 122 MET CB C 122 34.700 34.700 32.835 1.865 25135 6853 1 8 . 1 1 122 122 MET H H 122 7.760 7.760 7.515 0.245 25135 6854 1 8 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.464 0.016 25135 6855 1 8 . 1 1 123 123 PRO C C 123 176.300 176.300 175.925 0.375 25135 6856 1 8 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.070 -0.270 25135 6857 1 8 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.587 -0.287 25135 6858 1 8 . 1 1 124 124 VAL N N 124 120.000 120.000 122.799 -2.799 25135 6859 1 8 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.416 -0.336 25135 6860 1 8 . 1 1 124 124 VAL C C 124 175.800 175.800 175.104 0.696 25135 6861 1 8 . 1 1 124 124 VAL CA C 124 61.700 61.700 61.247 0.453 25135 6862 1 8 . 1 1 124 124 VAL CB C 124 33.100 33.100 33.640 -0.540 25135 6863 1 8 . 1 1 124 124 VAL H H 124 8.080 8.080 8.272 -0.192 25135 6864 1 8 . 1 1 125 125 SER N N 125 121.200 121.200 119.058 2.142 25135 6865 1 8 . 1 1 125 125 SER HA H 125 4.800 4.800 4.950 -0.150 25135 6866 1 8 . 1 1 125 125 SER CA C 125 56.200 56.200 55.792 0.408 25135 6867 1 8 . 1 1 125 125 SER CB C 125 63.700 63.700 64.349 -0.649 25135 6868 1 8 . 1 1 125 125 SER H H 125 8.380 8.380 8.301 0.079 25135 6869 1 8 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.427 0.053 25135 6870 1 8 . 1 1 126 126 PRO C C 126 177.100 177.100 177.081 0.019 25135 6871 1 8 . 1 1 126 126 PRO CA C 126 63.400 63.400 63.956 -0.556 25135 6872 1 8 . 1 1 126 126 PRO CB C 126 31.900 31.900 29.984 1.916 25135 6873 1 8 . 1 1 127 127 ILE N N 127 119.900 119.900 120.716 -0.816 25135 6874 1 8 . 1 1 127 127 ILE HA H 127 4.140 4.140 3.973 0.167 25135 6875 1 8 . 1 1 127 127 ILE C C 127 176.300 176.300 176.594 -0.294 25135 6876 1 8 . 1 1 127 127 ILE CA C 127 61.300 61.300 64.187 -2.887 25135 6877 1 8 . 1 1 127 127 ILE CB C 127 38.800 38.800 36.864 1.936 25135 6878 1 8 . 1 1 127 127 ILE H H 127 8.050 8.050 9.048 -0.998 25135 6879 1 8 . 1 1 128 128 SER N N 128 119.000 119.000 113.868 5.132 25135 6880 1 8 . 1 1 128 128 SER HA H 128 4.400 4.400 4.138 0.262 25135 6881 1 8 . 1 1 128 128 SER C C 128 174.600 174.600 173.364 1.236 25135 6882 1 8 . 1 1 128 128 SER CA C 128 58.300 58.300 59.125 -0.825 25135 6883 1 8 . 1 1 128 128 SER CB C 128 63.600 63.600 62.321 1.279 25135 6884 1 8 . 1 1 128 128 SER H H 128 8.230 8.230 8.636 -0.406 25135 6885 1 8 . 1 1 129 129 GLN N N 129 122.600 122.600 116.691 5.909 25135 6886 1 8 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.599 -0.369 25135 6887 1 8 . 1 1 129 129 GLN C C 129 176.200 176.200 175.760 0.440 25135 6888 1 8 . 1 1 129 129 GLN CA C 129 56.300 56.300 55.053 1.247 25135 6889 1 8 . 1 1 129 129 GLN CB C 129 29.100 29.100 29.930 -0.830 25135 6890 1 8 . 1 1 129 129 GLN H H 129 8.340 8.340 8.146 0.194 25135 6891 1 8 . 1 1 130 130 GLY N N 130 109.200 109.200 108.571 0.629 25135 6892 1 8 . 1 1 130 130 GLY C C 130 175.100 175.100 174.441 0.659 25135 6893 1 8 . 1 1 130 130 GLY CA C 130 45.200 45.200 45.502 -0.302 25135 6894 1 8 . 1 1 130 130 GLY H H 130 8.150 8.150 8.406 -0.256 25135 6895 1 8 . 1 1 131 131 ALA N N 131 124.700 124.700 125.143 -0.443 25135 6896 1 8 . 1 1 131 131 ALA HA H 131 4.230 4.230 3.075 1.155 25135 6897 1 8 . 1 1 131 131 ALA C C 131 178.700 178.700 177.384 1.316 25135 6898 1 8 . 1 1 131 131 ALA CA C 131 53.800 53.800 51.823 1.977 25135 6899 1 8 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.165 0.735 25135 6900 1 8 . 1 1 131 131 ALA H H 131 8.070 8.070 8.380 -0.310 25135 6901 1 8 . 1 1 132 132 SER N N 132 113.200 113.200 115.214 -2.014 25135 6902 1 8 . 1 1 132 132 SER HA H 132 4.580 4.580 4.495 0.085 25135 6903 1 8 . 1 1 132 132 SER C C 132 175.700 175.700 175.619 0.081 25135 6904 1 8 . 1 1 132 132 SER CA C 132 58.500 58.500 58.443 0.057 25135 6905 1 8 . 1 1 132 132 SER CB C 132 63.800 63.800 62.476 1.324 25135 6906 1 8 . 1 1 132 132 SER H H 132 8.340 8.340 8.165 0.175 25135 6907 1 8 . 1 1 133 133 TRP N N 133 122.800 122.800 122.960 -0.160 25135 6908 1 8 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.379 0.151 25135 6909 1 8 . 1 1 133 133 TRP C C 133 178.200 178.200 178.269 -0.069 25135 6910 1 8 . 1 1 133 133 TRP CA C 133 58.900 58.900 59.396 -0.496 25135 6911 1 8 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.454 1.746 25135 6912 1 8 . 1 1 133 133 TRP H H 133 8.380 8.380 7.266 1.114 25135 6913 1 8 . 1 1 134 134 ALA N N 134 120.600 120.600 119.915 0.685 25135 6914 1 8 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.891 0.359 25135 6915 1 8 . 1 1 134 134 ALA C C 134 180.700 180.700 180.075 0.625 25135 6916 1 8 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.107 0.593 25135 6917 1 8 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.898 0.102 25135 6918 1 8 . 1 1 134 134 ALA H H 134 8.420 8.420 8.530 -0.110 25135 6919 1 8 . 1 1 135 135 GLN N N 135 118.900 118.900 118.412 0.488 25135 6920 1 8 . 1 1 135 135 GLN HA H 135 4.100 4.100 4.006 0.094 25135 6921 1 8 . 1 1 135 135 GLN C C 135 179.200 179.200 178.946 0.254 25135 6922 1 8 . 1 1 135 135 GLN CA C 135 59.000 59.000 59.320 -0.320 25135 6923 1 8 . 1 1 135 135 GLN CB C 135 28.500 28.500 28.750 -0.250 25135 6924 1 8 . 1 1 135 135 GLN H H 135 7.860 7.860 7.794 0.066 25135 6925 1 8 . 1 1 136 136 GLU N N 136 120.900 120.900 119.011 1.889 25135 6926 1 8 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.142 -0.322 25135 6927 1 8 . 1 1 136 136 GLU C C 136 177.800 177.800 179.139 -1.339 25135 6928 1 8 . 1 1 136 136 GLU CA C 136 59.000 59.000 58.864 0.136 25135 6929 1 8 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.492 0.508 25135 6930 1 8 . 1 1 136 136 GLU H H 136 7.720 7.720 7.935 -0.215 25135 6931 1 8 . 1 1 137 137 ASP N N 137 118.200 118.200 121.020 -2.820 25135 6932 1 8 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.338 0.122 25135 6933 1 8 . 1 1 137 137 ASP C C 137 178.100 178.100 178.356 -0.256 25135 6934 1 8 . 1 1 137 137 ASP CA C 137 57.200 57.200 57.943 -0.743 25135 6935 1 8 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.485 -0.385 25135 6936 1 8 . 1 1 137 137 ASP H H 137 8.800 8.800 8.509 0.291 25135 6937 1 8 . 1 1 138 138 GLN N N 138 116.900 116.900 118.600 -1.700 25135 6938 1 8 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.050 -0.170 25135 6939 1 8 . 1 1 138 138 GLN C C 138 178.400 178.400 178.178 0.222 25135 6940 1 8 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.544 0.356 25135 6941 1 8 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.553 0.147 25135 6942 1 8 . 1 1 138 138 GLN H H 138 7.510 7.510 7.923 -0.413 25135 6943 1 8 . 1 1 139 139 GLN N N 139 119.500 119.500 119.357 0.143 25135 6944 1 8 . 1 1 139 139 GLN HA H 139 4.110 4.110 4.015 0.095 25135 6945 1 8 . 1 1 139 139 GLN C C 139 178.900 178.900 178.778 0.122 25135 6946 1 8 . 1 1 139 139 GLN CA C 139 58.900 58.900 58.773 0.127 25135 6947 1 8 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.210 0.390 25135 6948 1 8 . 1 1 139 139 GLN H H 139 7.520 7.520 7.723 -0.203 25135 6949 1 8 . 1 1 140 140 ASP N N 140 121.700 121.700 118.637 3.063 25135 6950 1 8 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.583 -0.563 25135 6951 1 8 . 1 1 140 140 ASP C C 140 177.700 177.700 177.914 -0.214 25135 6952 1 8 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.321 0.979 25135 6953 1 8 . 1 1 140 140 ASP CB C 140 40.700 40.700 41.435 -0.736 25135 6954 1 8 . 1 1 140 140 ASP H H 140 9.130 9.130 8.204 0.926 25135 6955 1 8 . 1 1 141 141 ALA N N 141 121.000 121.000 123.827 -2.827 25135 6956 1 8 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.124 0.126 25135 6957 1 8 . 1 1 141 141 ALA C C 141 180.800 180.800 179.327 1.473 25135 6958 1 8 . 1 1 141 141 ALA CA C 141 55.400 55.400 55.479 -0.079 25135 6959 1 8 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.544 0.956 25135 6960 1 8 . 1 1 141 141 ALA H H 141 8.720 8.720 7.885 0.835 25135 6961 1 8 . 1 1 142 142 ASP N N 142 119.100 119.100 117.900 1.200 25135 6962 1 8 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.334 0.096 25135 6963 1 8 . 1 1 142 142 ASP C C 142 178.600 178.600 178.824 -0.224 25135 6964 1 8 . 1 1 142 142 ASP CA C 142 57.600 57.600 57.937 -0.337 25135 6965 1 8 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.724 0.576 25135 6966 1 8 . 1 1 142 142 ASP H H 142 7.850 7.850 8.794 -0.944 25135 6967 1 8 . 1 1 143 143 GLU N N 143 119.500 119.500 118.135 1.365 25135 6968 1 8 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.174 -0.144 25135 6969 1 8 . 1 1 143 143 GLU C C 143 180.100 180.100 178.807 1.293 25135 6970 1 8 . 1 1 143 143 GLU CA C 143 59.700 59.700 59.294 0.406 25135 6971 1 8 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.671 -0.071 25135 6972 1 8 . 1 1 143 143 GLU H H 143 7.860 7.860 7.682 0.178 25135 6973 1 8 . 1 1 144 144 ASP N N 144 121.000 121.000 120.918 0.082 25135 6974 1 8 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.380 0.270 25135 6975 1 8 . 1 1 144 144 ASP C C 144 179.500 179.500 178.516 0.984 25135 6976 1 8 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.904 -0.404 25135 6977 1 8 . 1 1 144 144 ASP CB C 144 41.100 41.100 41.033 0.067 25135 6978 1 8 . 1 1 144 144 ASP H H 144 8.840 8.840 8.380 0.460 25135 6979 1 8 . 1 1 145 145 ARG N N 145 121.400 121.400 118.526 2.874 25135 6980 1 8 . 1 1 145 145 ARG HA H 145 4.130 4.130 4.358 -0.228 25135 6981 1 8 . 1 1 145 145 ARG C C 145 178.700 178.700 179.058 -0.358 25135 6982 1 8 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.330 0.170 25135 6983 1 8 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.741 -0.141 25135 6984 1 8 . 1 1 145 145 ARG H H 145 8.510 8.510 8.381 0.129 25135 6985 1 8 . 1 1 146 146 ARG N N 146 119.400 119.400 119.292 0.108 25135 6986 1 8 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.117 -0.007 25135 6987 1 8 . 1 1 146 146 ARG C C 146 178.400 178.400 178.288 0.112 25135 6988 1 8 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.630 0.770 25135 6989 1 8 . 1 1 146 146 ARG CB C 146 30.200 30.200 29.443 0.757 25135 6990 1 8 . 1 1 146 146 ARG H H 146 7.680 7.680 7.823 -0.143 25135 6991 1 8 . 1 1 147 147 ALA N N 147 120.300 120.300 123.893 -3.593 25135 6992 1 8 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.086 0.224 25135 6993 1 8 . 1 1 147 147 ALA C C 147 179.500 179.500 179.591 -0.091 25135 6994 1 8 . 1 1 147 147 ALA CA C 147 54.100 54.100 54.969 -0.870 25135 6995 1 8 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.666 0.434 25135 6996 1 8 . 1 1 147 147 ALA H H 147 7.840 7.840 8.265 -0.425 25135 6997 1 8 . 1 1 148 148 PHE N N 148 119.900 119.900 117.078 2.822 25135 6998 1 8 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.400 -0.010 25135 6999 1 8 . 1 1 148 148 PHE C C 148 176.900 176.900 177.346 -0.446 25135 7000 1 8 . 1 1 148 148 PHE CA C 148 60.500 60.500 58.873 1.627 25135 7001 1 8 . 1 1 148 148 PHE CB C 148 39.700 39.700 38.585 1.115 25135 7002 1 8 . 1 1 148 148 PHE H H 148 8.210 8.210 8.165 0.045 25135 7003 1 8 . 1 1 149 149 GLN N N 149 118.500 118.500 120.800 -2.300 25135 7004 1 8 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.407 0.723 25135 7005 1 8 . 1 1 149 149 GLN C C 149 176.400 176.400 176.681 -0.281 25135 7006 1 8 . 1 1 149 149 GLN CA C 149 56.900 56.900 57.877 -0.977 25135 7007 1 8 . 1 1 149 149 GLN CB C 149 28.900 28.900 29.385 -0.485 25135 7008 1 8 . 1 1 149 149 GLN H H 149 7.960 7.960 7.658 0.302 25135 7009 1 8 . 1 1 150 150 MET N N 150 118.000 118.000 111.602 6.398 25135 7010 1 8 . 1 1 150 150 MET HA H 150 4.360 4.360 4.665 -0.305 25135 7011 1 8 . 1 1 150 150 MET C C 150 176.300 176.300 174.838 1.462 25135 7012 1 8 . 1 1 150 150 MET CA C 150 56.000 56.000 55.238 0.762 25135 7013 1 8 . 1 1 150 150 MET CB C 150 32.800 32.800 34.615 -1.815 25135 7014 1 8 . 1 1 150 150 MET H H 150 7.760 7.760 7.612 0.148 25135 7015 1 8 . 1 1 151 151 LEU N N 151 121.200 121.200 122.800 -1.600 25135 7016 1 8 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.534 -0.264 25135 7017 1 8 . 1 1 151 151 LEU C C 151 177.100 177.100 175.415 1.685 25135 7018 1 8 . 1 1 151 151 LEU CA C 151 55.400 55.400 54.695 0.705 25135 7019 1 8 . 1 1 151 151 LEU CB C 151 42.300 42.300 43.126 -0.826 25135 7020 1 8 . 1 1 151 151 LEU H H 151 7.690 7.690 7.874 -0.184 25135 7021 1 8 . 1 1 152 152 ARG N N 152 121.800 121.800 121.153 0.647 25135 7022 1 8 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.298 -0.058 25135 7023 1 8 . 1 1 152 152 ARG C C 152 176.000 176.000 177.017 -1.017 25135 7024 1 8 . 1 1 152 152 ARG CA C 152 56.200 56.200 56.725 -0.525 25135 7025 1 8 . 1 1 152 152 ARG CB C 152 30.900 30.900 30.543 0.357 25135 7026 1 8 . 1 1 152 152 ARG H H 152 8.120 8.120 8.239 -0.119 25135 7027 1 8 . 1 1 153 153 ARG N N 153 123.100 123.100 120.728 2.372 25135 7028 1 8 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.061 0.299 25135 7029 1 8 . 1 1 153 153 ARG C C 153 174.900 174.900 175.362 -0.462 25135 7030 1 8 . 1 1 153 153 ARG CA C 153 56.000 56.000 56.632 -0.632 25135 7031 1 8 . 1 1 153 153 ARG CB C 153 31.000 31.000 29.539 1.461 25135 7032 1 8 . 1 1 153 153 ARG H H 153 8.380 8.380 8.795 -0.415 25135 7033 1 9 . 1 1 2 2 GLU N N 2 120.000 120.000 120.115 -0.115 25135 7034 1 9 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.027 -0.047 25135 7035 1 9 . 1 1 2 2 GLU C C 2 178.400 178.400 177.570 0.830 25135 7036 1 9 . 1 1 2 2 GLU CA C 2 59.400 59.400 59.135 0.265 25135 7037 1 9 . 1 1 2 2 GLU CB C 2 29.200 29.200 29.178 0.022 25135 7038 1 9 . 1 1 2 2 GLU H H 2 8.140 8.140 8.900 -0.760 25135 7039 1 9 . 1 1 3 3 ASN N N 3 117.300 117.300 115.600 1.700 25135 7040 1 9 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.686 -0.046 25135 7041 1 9 . 1 1 3 3 ASN C C 3 177.900 177.900 176.665 1.235 25135 7042 1 9 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.785 1.015 25135 7043 1 9 . 1 1 3 3 ASN CB C 3 39.000 39.000 37.977 1.023 25135 7044 1 9 . 1 1 3 3 ASN H H 3 7.960 7.960 8.635 -0.675 25135 7045 1 9 . 1 1 4 4 LEU N N 4 119.700 119.700 122.428 -2.728 25135 7046 1 9 . 1 1 4 4 LEU HA H 4 4.030 4.030 3.993 0.037 25135 7047 1 9 . 1 1 4 4 LEU C C 4 177.900 177.900 178.408 -0.508 25135 7048 1 9 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.680 -0.280 25135 7049 1 9 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.793 0.207 25135 7050 1 9 . 1 1 4 4 LEU H H 4 8.450 8.450 8.119 0.331 25135 7051 1 9 . 1 1 5 5 LYS N N 5 118.200 118.200 116.731 1.469 25135 7052 1 9 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.043 -0.103 25135 7053 1 9 . 1 1 5 5 LYS C C 5 179.200 179.200 179.560 -0.360 25135 7054 1 9 . 1 1 5 5 LYS CA C 5 60.000 60.000 58.680 1.320 25135 7055 1 9 . 1 1 5 5 LYS CB C 5 31.900 31.900 31.593 0.307 25135 7056 1 9 . 1 1 5 5 LYS H H 5 7.940 7.940 7.780 0.160 25135 7057 1 9 . 1 1 6 6 HIS N N 6 118.400 118.400 119.680 -1.280 25135 7058 1 9 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.518 -0.098 25135 7059 1 9 . 1 1 6 6 HIS C C 6 178.200 178.200 177.665 0.535 25135 7060 1 9 . 1 1 6 6 HIS CA C 6 59.100 59.100 58.522 0.578 25135 7061 1 9 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.241 0.659 25135 7062 1 9 . 1 1 6 6 HIS H H 6 7.710 7.710 7.759 -0.049 25135 7063 1 9 . 1 1 7 7 ILE N N 7 120.300 120.300 121.345 -1.045 25135 7064 1 9 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.479 -0.039 25135 7065 1 9 . 1 1 7 7 ILE C C 7 176.500 176.500 177.494 -0.994 25135 7066 1 9 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.548 0.452 25135 7067 1 9 . 1 1 7 7 ILE CB C 7 38.700 38.700 37.975 0.725 25135 7068 1 9 . 1 1 7 7 ILE H H 7 7.950 7.950 8.375 -0.425 25135 7069 1 9 . 1 1 8 8 ILE N N 8 120.200 120.200 119.708 0.492 25135 7070 1 9 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.450 0.130 25135 7071 1 9 . 1 1 8 8 ILE C C 8 178.000 178.000 177.831 0.169 25135 7072 1 9 . 1 1 8 8 ILE CA C 8 65.800 65.800 66.030 -0.230 25135 7073 1 9 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.594 1.006 25135 7074 1 9 . 1 1 8 8 ILE H H 8 8.450 8.450 8.892 -0.442 25135 7075 1 9 . 1 1 9 9 THR N N 9 115.400 115.400 114.707 0.693 25135 7076 1 9 . 1 1 9 9 THR HA H 9 3.880 3.880 3.913 -0.033 25135 7077 1 9 . 1 1 9 9 THR C C 9 176.300 176.300 176.184 0.116 25135 7078 1 9 . 1 1 9 9 THR CA C 9 66.900 66.900 66.209 0.691 25135 7079 1 9 . 1 1 9 9 THR CB C 9 68.800 68.800 68.941 -0.141 25135 7080 1 9 . 1 1 9 9 THR H H 9 8.120 8.120 7.574 0.546 25135 7081 1 9 . 1 1 10 10 LEU N N 10 122.100 122.100 121.697 0.403 25135 7082 1 9 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.088 -0.038 25135 7083 1 9 . 1 1 10 10 LEU C C 10 178.800 178.800 178.254 0.546 25135 7084 1 9 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.803 1.097 25135 7085 1 9 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.190 1.111 25135 7086 1 9 . 1 1 10 10 LEU H H 10 7.950 7.950 7.490 0.460 25135 7087 1 9 . 1 1 11 11 GLY N N 11 105.800 105.800 105.372 0.428 25135 7088 1 9 . 1 1 11 11 GLY C C 11 174.700 174.700 176.257 -1.557 25135 7089 1 9 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.177 0.323 25135 7090 1 9 . 1 1 11 11 GLY H H 11 8.660 8.660 8.551 0.109 25135 7091 1 9 . 1 1 12 12 GLN N N 12 119.600 119.600 119.747 -0.147 25135 7092 1 9 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.350 -0.360 25135 7093 1 9 . 1 1 12 12 GLN C C 12 179.600 179.600 178.672 0.928 25135 7094 1 9 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.686 1.614 25135 7095 1 9 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.309 -0.409 25135 7096 1 9 . 1 1 12 12 GLN H H 12 8.050 8.050 7.391 0.659 25135 7097 1 9 . 1 1 13 13 VAL N N 13 122.600 122.600 121.829 0.771 25135 7098 1 9 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.685 -0.015 25135 7099 1 9 . 1 1 13 13 VAL C C 13 178.500 178.500 177.931 0.569 25135 7100 1 9 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.332 0.368 25135 7101 1 9 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.202 0.698 25135 7102 1 9 . 1 1 13 13 VAL H H 13 8.300 8.300 7.850 0.450 25135 7103 1 9 . 1 1 14 14 ILE N N 14 121.000 121.000 119.038 1.962 25135 7104 1 9 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.711 -0.241 25135 7105 1 9 . 1 1 14 14 ILE C C 14 177.700 177.700 178.329 -0.629 25135 7106 1 9 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.185 0.615 25135 7107 1 9 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.688 0.712 25135 7108 1 9 . 1 1 14 14 ILE H H 14 8.480 8.480 8.590 -0.110 25135 7109 1 9 . 1 1 15 15 HIS N N 15 118.900 118.900 118.350 0.550 25135 7110 1 9 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.428 -0.528 25135 7111 1 9 . 1 1 15 15 HIS C C 15 176.200 176.200 177.068 -0.868 25135 7112 1 9 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.047 2.253 25135 7113 1 9 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.254 -0.254 25135 7114 1 9 . 1 1 15 15 HIS H H 15 8.250 8.250 7.606 0.644 25135 7115 1 9 . 1 1 16 16 LYS N N 16 118.500 118.500 120.011 -1.511 25135 7116 1 9 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.684 -0.014 25135 7117 1 9 . 1 1 16 16 LYS C C 16 179.200 179.200 178.855 0.345 25135 7118 1 9 . 1 1 16 16 LYS CA C 16 59.500 59.500 59.166 0.334 25135 7119 1 9 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.162 0.338 25135 7120 1 9 . 1 1 16 16 LYS H H 16 7.820 7.820 8.196 -0.376 25135 7121 1 9 . 1 1 17 17 ARG N N 17 117.600 117.600 118.469 -0.869 25135 7122 1 9 . 1 1 17 17 ARG HA H 17 3.960 3.960 4.021 -0.061 25135 7123 1 9 . 1 1 17 17 ARG C C 17 180.600 180.600 177.349 3.251 25135 7124 1 9 . 1 1 17 17 ARG CA C 17 59.200 59.200 58.977 0.223 25135 7125 1 9 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.084 0.416 25135 7126 1 9 . 1 1 17 17 ARG H H 17 8.330 8.330 8.805 -0.475 25135 7127 1 9 . 1 1 18 18 CYS N N 18 118.100 118.100 114.576 3.524 25135 7128 1 9 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.297 -0.407 25135 7129 1 9 . 1 1 18 18 CYS C C 18 177.300 177.300 177.673 -0.373 25135 7130 1 9 . 1 1 18 18 CYS CA C 18 65.900 65.900 59.801 6.099 25135 7131 1 9 . 1 1 18 18 CYS CB C 18 27.600 27.600 28.536 -0.936 25135 7132 1 9 . 1 1 18 18 CYS H H 18 8.550 8.550 7.508 1.042 25135 7133 1 9 . 1 1 19 19 GLU N N 19 117.900 117.900 120.667 -2.767 25135 7134 1 9 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.039 -0.229 25135 7135 1 9 . 1 1 19 19 GLU C C 19 177.100 177.100 177.547 -0.447 25135 7136 1 9 . 1 1 19 19 GLU CA C 19 58.300 58.300 58.965 -0.665 25135 7137 1 9 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.569 0.431 25135 7138 1 9 . 1 1 19 19 GLU H H 19 7.540 7.540 7.892 -0.352 25135 7139 1 9 . 1 1 20 20 GLU N N 20 115.400 115.400 113.715 1.685 25135 7140 1 9 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.339 -0.119 25135 7141 1 9 . 1 1 20 20 GLU C C 20 177.100 177.100 176.762 0.338 25135 7142 1 9 . 1 1 20 20 GLU CA C 20 55.900 55.900 55.474 0.426 25135 7143 1 9 . 1 1 20 20 GLU CB C 20 30.600 30.600 29.492 1.108 25135 7144 1 9 . 1 1 20 20 GLU H H 20 7.190 7.190 7.577 -0.387 25135 7145 1 9 . 1 1 21 21 MET N N 21 120.500 120.500 119.885 0.615 25135 7146 1 9 . 1 1 21 21 MET HA H 21 4.260 4.260 4.325 -0.065 25135 7147 1 9 . 1 1 21 21 MET C C 21 177.800 177.800 176.446 1.354 25135 7148 1 9 . 1 1 21 21 MET CA C 21 56.400 56.400 55.491 0.909 25135 7149 1 9 . 1 1 21 21 MET CB C 21 33.300 33.300 32.885 0.415 25135 7150 1 9 . 1 1 21 21 MET H H 21 6.940 6.940 7.405 -0.465 25135 7151 1 9 . 1 1 22 22 LYS N N 22 120.500 120.500 121.426 -0.926 25135 7152 1 9 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.331 -0.381 25135 7153 1 9 . 1 1 22 22 LYS C C 22 175.400 175.400 175.722 -0.322 25135 7154 1 9 . 1 1 22 22 LYS CA C 22 57.000 57.000 56.092 0.908 25135 7155 1 9 . 1 1 22 22 LYS CB C 22 33.600 33.600 32.923 0.677 25135 7156 1 9 . 1 1 22 22 LYS H H 22 8.760 8.760 8.675 0.085 25135 7157 1 9 . 1 1 23 23 TYR N N 23 115.500 115.500 118.615 -3.115 25135 7158 1 9 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.673 0.237 25135 7159 1 9 . 1 1 23 23 TYR C C 23 173.700 173.700 174.990 -1.290 25135 7160 1 9 . 1 1 23 23 TYR CA C 23 55.000 55.000 57.743 -2.743 25135 7161 1 9 . 1 1 23 23 TYR CB C 23 41.900 41.900 41.356 0.544 25135 7162 1 9 . 1 1 23 23 TYR H H 23 7.260 7.260 7.587 -0.327 25135 7163 1 9 . 1 1 24 24 CYS N N 24 113.600 113.600 120.129 -6.529 25135 7164 1 9 . 1 1 24 24 CYS HA H 24 3.700 3.700 3.955 -0.255 25135 7165 1 9 . 1 1 24 24 CYS C C 24 174.700 174.700 175.598 -0.898 25135 7166 1 9 . 1 1 24 24 CYS CA C 24 60.400 60.400 59.890 0.510 25135 7167 1 9 . 1 1 24 24 CYS CB C 24 26.100 26.100 26.426 -0.326 25135 7168 1 9 . 1 1 24 24 CYS H H 24 8.720 8.720 9.197 -0.477 25135 7169 1 9 . 1 1 25 25 LYS N N 25 115.800 115.800 119.444 -3.644 25135 7170 1 9 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.850 -0.270 25135 7171 1 9 . 1 1 25 25 LYS C C 25 179.800 179.800 178.270 1.530 25135 7172 1 9 . 1 1 25 25 LYS CA C 25 60.700 60.700 59.549 1.151 25135 7173 1 9 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.393 0.907 25135 7174 1 9 . 1 1 25 25 LYS H H 25 8.050 8.050 8.511 -0.461 25135 7175 1 9 . 1 1 26 26 LYS N N 26 121.000 121.000 118.253 2.747 25135 7176 1 9 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.945 0.045 25135 7177 1 9 . 1 1 26 26 LYS C C 26 181.300 181.300 179.149 2.151 25135 7178 1 9 . 1 1 26 26 LYS CA C 26 59.000 59.000 58.962 0.038 25135 7179 1 9 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.248 -0.848 25135 7180 1 9 . 1 1 26 26 LYS H H 26 10.600 10.600 8.381 2.219 25135 7181 1 9 . 1 1 27 27 GLN N N 27 120.500 120.500 119.175 1.325 25135 7182 1 9 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.538 -0.568 25135 7183 1 9 . 1 1 27 27 GLN C C 27 180.200 180.200 178.492 1.708 25135 7184 1 9 . 1 1 27 27 GLN CA C 27 59.300 59.300 59.087 0.213 25135 7185 1 9 . 1 1 27 27 GLN CB C 27 32.100 32.100 29.347 2.753 25135 7186 1 9 . 1 1 27 27 GLN H H 27 9.890 9.890 7.769 2.121 25135 7187 1 9 . 1 1 28 28 CYS N N 28 118.800 118.800 119.022 -0.222 25135 7188 1 9 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.750 0.460 25135 7189 1 9 . 1 1 28 28 CYS C C 28 176.200 176.200 176.605 -0.405 25135 7190 1 9 . 1 1 28 28 CYS CA C 28 64.300 64.300 63.909 0.391 25135 7191 1 9 . 1 1 28 28 CYS CB C 28 26.800 26.800 26.336 0.464 25135 7192 1 9 . 1 1 28 28 CYS H H 28 8.550 8.550 8.100 0.450 25135 7193 1 9 . 1 1 29 29 ARG N N 29 119.300 119.300 119.897 -0.597 25135 7194 1 9 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.874 -0.004 25135 7195 1 9 . 1 1 29 29 ARG C C 29 178.900 178.900 178.792 0.108 25135 7196 1 9 . 1 1 29 29 ARG CA C 29 59.300 59.300 59.991 -0.691 25135 7197 1 9 . 1 1 29 29 ARG CB C 29 29.200 29.200 29.915 -0.714 25135 7198 1 9 . 1 1 29 29 ARG H H 29 8.700 8.700 8.526 0.174 25135 7199 1 9 . 1 1 30 30 ARG N N 30 119.700 119.700 118.873 0.827 25135 7200 1 9 . 1 1 30 30 ARG HA H 30 3.890 3.890 3.950 -0.060 25135 7201 1 9 . 1 1 30 30 ARG C C 30 178.000 178.000 178.543 -0.543 25135 7202 1 9 . 1 1 30 30 ARG CA C 30 58.200 58.200 59.663 -1.462 25135 7203 1 9 . 1 1 30 30 ARG CB C 30 29.100 29.100 29.929 -0.829 25135 7204 1 9 . 1 1 30 30 ARG H H 30 7.810 7.810 7.501 0.309 25135 7205 1 9 . 1 1 31 31 LEU N N 31 120.600 120.600 120.497 0.103 25135 7206 1 9 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.603 0.437 25135 7207 1 9 . 1 1 31 31 LEU C C 31 178.400 178.400 178.161 0.239 25135 7208 1 9 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.669 0.631 25135 7209 1 9 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.431 -0.230 25135 7210 1 9 . 1 1 31 31 LEU H H 31 7.310 7.310 7.877 -0.567 25135 7211 1 9 . 1 1 32 32 GLY N N 32 105.200 105.200 105.402 -0.202 25135 7212 1 9 . 1 1 32 32 GLY C C 32 175.600 175.600 175.801 -0.201 25135 7213 1 9 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.064 1.336 25135 7214 1 9 . 1 1 32 32 GLY H H 32 7.960 7.960 8.327 -0.367 25135 7215 1 9 . 1 1 33 33 HIS N N 33 120.500 120.500 122.537 -2.037 25135 7216 1 9 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.187 0.043 25135 7217 1 9 . 1 1 33 33 HIS C C 33 179.400 179.400 177.971 1.429 25135 7218 1 9 . 1 1 33 33 HIS CA C 33 59.600 59.600 59.484 0.115 25135 7219 1 9 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.163 0.437 25135 7220 1 9 . 1 1 33 33 HIS H H 33 8.340 8.340 8.725 -0.385 25135 7221 1 9 . 1 1 34 34 ARG N N 34 121.900 121.900 118.670 3.230 25135 7222 1 9 . 1 1 34 34 ARG HA H 34 3.870 3.870 4.034 -0.164 25135 7223 1 9 . 1 1 34 34 ARG C C 34 179.600 179.600 178.421 1.179 25135 7224 1 9 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.081 0.419 25135 7225 1 9 . 1 1 34 34 ARG CB C 34 30.100 30.100 29.967 0.133 25135 7226 1 9 . 1 1 34 34 ARG H H 34 8.680 8.680 8.505 0.175 25135 7227 1 9 . 1 1 35 35 VAL N N 35 118.500 118.500 120.982 -2.482 25135 7228 1 9 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.428 -0.018 25135 7229 1 9 . 1 1 35 35 VAL C C 35 177.600 177.600 177.704 -0.104 25135 7230 1 9 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.485 1.315 25135 7231 1 9 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.538 -0.238 25135 7232 1 9 . 1 1 35 35 VAL H H 35 8.500 8.500 7.734 0.766 25135 7233 1 9 . 1 1 36 36 LEU N N 36 118.300 118.300 119.039 -0.739 25135 7234 1 9 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.755 0.145 25135 7235 1 9 . 1 1 36 36 LEU C C 36 179.600 179.600 179.161 0.439 25135 7236 1 9 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.704 0.296 25135 7237 1 9 . 1 1 36 36 LEU CB C 36 41.400 41.400 41.109 0.291 25135 7238 1 9 . 1 1 36 36 LEU H H 36 7.890 7.890 8.557 -0.667 25135 7239 1 9 . 1 1 37 37 GLY N N 37 104.900 104.900 104.862 0.038 25135 7240 1 9 . 1 1 37 37 GLY C C 37 175.700 175.700 175.224 0.476 25135 7241 1 9 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.747 -0.047 25135 7242 1 9 . 1 1 37 37 GLY H H 37 7.760 7.760 7.472 0.288 25135 7243 1 9 . 1 1 38 38 LEU N N 38 120.500 120.500 119.760 0.740 25135 7244 1 9 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.562 0.028 25135 7245 1 9 . 1 1 38 38 LEU C C 38 176.900 176.900 177.922 -1.022 25135 7246 1 9 . 1 1 38 38 LEU CA C 38 56.500 56.500 55.986 0.514 25135 7247 1 9 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.195 -0.595 25135 7248 1 9 . 1 1 38 38 LEU H H 38 7.720 7.720 7.448 0.272 25135 7249 1 9 . 1 1 39 39 ILE N N 39 108.700 108.700 116.055 -7.355 25135 7250 1 9 . 1 1 39 39 ILE HA H 39 4.190 4.190 4.053 0.137 25135 7251 1 9 . 1 1 39 39 ILE C C 39 178.100 178.100 177.063 1.037 25135 7252 1 9 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.265 -0.565 25135 7253 1 9 . 1 1 39 39 ILE CB C 39 38.500 38.500 37.956 0.544 25135 7254 1 9 . 1 1 39 39 ILE H H 39 7.540 7.540 7.487 0.053 25135 7255 1 9 . 1 1 40 40 LYS N N 40 122.800 122.800 121.910 0.890 25135 7256 1 9 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.123 0.307 25135 7257 1 9 . 1 1 40 40 LYS CA C 40 60.700 60.700 60.110 0.590 25135 7258 1 9 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.390 0.010 25135 7259 1 9 . 1 1 40 40 LYS H H 40 7.600 7.600 8.448 -0.848 25135 7260 1 9 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.334 0.096 25135 7261 1 9 . 1 1 41 41 PRO C C 41 178.700 178.700 179.260 -0.560 25135 7262 1 9 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.543 -0.043 25135 7263 1 9 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.304 0.296 25135 7264 1 9 . 1 1 42 42 LEU N N 42 114.400 114.400 118.863 -4.463 25135 7265 1 9 . 1 1 42 42 LEU HA H 42 4.060 4.060 3.991 0.069 25135 7266 1 9 . 1 1 42 42 LEU C C 42 178.800 178.800 178.970 -0.170 25135 7267 1 9 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.692 -0.592 25135 7268 1 9 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.024 -0.724 25135 7269 1 9 . 1 1 42 42 LEU H H 42 7.200 7.200 7.780 -0.580 25135 7270 1 9 . 1 1 43 43 GLU N N 43 119.200 119.200 118.254 0.946 25135 7271 1 9 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.963 -0.043 25135 7272 1 9 . 1 1 43 43 GLU C C 43 179.100 179.100 178.778 0.322 25135 7273 1 9 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.660 -0.160 25135 7274 1 9 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.329 0.771 25135 7275 1 9 . 1 1 43 43 GLU H H 43 8.120 8.120 8.044 0.076 25135 7276 1 9 . 1 1 44 44 MET N N 44 116.500 116.500 115.806 0.694 25135 7277 1 9 . 1 1 44 44 MET HA H 44 4.310 4.310 4.280 0.030 25135 7278 1 9 . 1 1 44 44 MET C C 44 177.900 177.900 177.767 0.133 25135 7279 1 9 . 1 1 44 44 MET CA C 44 57.600 57.600 57.872 -0.272 25135 7280 1 9 . 1 1 44 44 MET CB C 44 32.500 32.500 32.762 -0.262 25135 7281 1 9 . 1 1 44 44 MET H H 44 7.600 7.600 7.636 -0.035 25135 7282 1 9 . 1 1 45 45 LEU N N 45 119.900 119.900 118.786 1.114 25135 7283 1 9 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.287 -0.137 25135 7284 1 9 . 1 1 45 45 LEU C C 45 178.000 178.000 178.815 -0.815 25135 7285 1 9 . 1 1 45 45 LEU CA C 45 56.600 56.600 57.770 -1.170 25135 7286 1 9 . 1 1 45 45 LEU CB C 45 42.000 42.000 42.248 -0.248 25135 7287 1 9 . 1 1 45 45 LEU H H 45 7.620 7.620 7.926 -0.306 25135 7288 1 9 . 1 1 46 46 GLN N N 46 118.300 118.300 118.172 0.128 25135 7289 1 9 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.149 -0.129 25135 7290 1 9 . 1 1 46 46 GLN C C 46 176.500 176.500 178.262 -1.762 25135 7291 1 9 . 1 1 46 46 GLN CA C 46 57.700 57.700 57.998 -0.298 25135 7292 1 9 . 1 1 46 46 GLN CB C 46 29.500 29.500 27.972 1.528 25135 7293 1 9 . 1 1 46 46 GLN H H 46 7.950 7.950 8.624 -0.674 25135 7294 1 9 . 1 1 47 47 ASP N N 47 119.000 119.000 120.154 -1.154 25135 7295 1 9 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.389 0.181 25135 7296 1 9 . 1 1 47 47 ASP C C 47 176.900 176.900 178.596 -1.696 25135 7297 1 9 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.484 -1.184 25135 7298 1 9 . 1 1 47 47 ASP CB C 47 41.300 41.300 40.886 0.414 25135 7299 1 9 . 1 1 47 47 ASP H H 47 7.890 7.890 7.745 0.145 25135 7300 1 9 . 1 1 48 48 GLN N N 48 119.500 119.500 117.277 2.223 25135 7301 1 9 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.103 0.127 25135 7302 1 9 . 1 1 48 48 GLN C C 48 177.200 177.200 177.157 0.043 25135 7303 1 9 . 1 1 48 48 GLN CA C 48 56.700 56.700 57.173 -0.473 25135 7304 1 9 . 1 1 48 48 GLN CB C 48 29.300 29.300 29.405 -0.105 25135 7305 1 9 . 1 1 48 48 GLN H H 48 8.080 8.080 7.745 0.335 25135 7306 1 9 . 1 1 49 49 GLY N N 49 108.100 108.100 105.395 2.705 25135 7307 1 9 . 1 1 49 49 GLY C C 49 174.300 174.300 174.480 -0.180 25135 7308 1 9 . 1 1 49 49 GLY CA C 49 46.000 46.000 45.089 0.911 25135 7309 1 9 . 1 1 49 49 GLY H H 49 8.270 8.270 7.793 0.477 25135 7310 1 9 . 1 1 50 50 LYS N N 50 120.200 120.200 118.953 1.247 25135 7311 1 9 . 1 1 50 50 LYS HA H 50 4.320 4.320 4.309 0.011 25135 7312 1 9 . 1 1 50 50 LYS C C 50 176.400 176.400 176.602 -0.202 25135 7313 1 9 . 1 1 50 50 LYS CA C 50 56.500 56.500 57.439 -0.939 25135 7314 1 9 . 1 1 50 50 LYS CB C 50 32.900 32.900 34.163 -1.263 25135 7315 1 9 . 1 1 50 50 LYS H H 50 8.130 8.130 7.911 0.219 25135 7316 1 9 . 1 1 51 51 ARG N N 51 121.300 121.300 118.236 3.064 25135 7317 1 9 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.451 0.009 25135 7318 1 9 . 1 1 51 51 ARG C C 51 176.100 176.100 173.567 2.533 25135 7319 1 9 . 1 1 51 51 ARG CA C 51 56.000 56.000 56.463 -0.463 25135 7320 1 9 . 1 1 51 51 ARG CB C 51 31.200 31.200 32.506 -1.306 25135 7321 1 9 . 1 1 51 51 ARG H H 51 8.260 8.260 7.578 0.682 25135 7322 1 9 . 1 1 52 52 SER N N 52 116.900 116.900 115.874 1.026 25135 7323 1 9 . 1 1 52 52 SER HA H 52 4.550 4.550 4.521 0.029 25135 7324 1 9 . 1 1 52 52 SER C C 52 173.900 173.900 173.831 0.069 25135 7325 1 9 . 1 1 52 52 SER CA C 52 57.800 57.800 58.011 -0.211 25135 7326 1 9 . 1 1 52 52 SER CB C 52 64.300 64.300 63.470 0.830 25135 7327 1 9 . 1 1 52 52 SER H H 52 8.150 8.150 8.501 -0.351 25135 7328 1 9 . 1 1 53 53 VAL N N 53 124.300 124.300 123.090 1.210 25135 7329 1 9 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.009 0.281 25135 7330 1 9 . 1 1 53 53 VAL CA C 53 60.400 60.400 61.422 -1.022 25135 7331 1 9 . 1 1 53 53 VAL CB C 53 32.500 32.500 31.533 0.967 25135 7332 1 9 . 1 1 53 53 VAL H H 53 8.420 8.420 8.123 0.297 25135 7333 1 9 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.441 0.049 25135 7334 1 9 . 1 1 54 54 PRO C C 54 176.600 176.600 176.305 0.295 25135 7335 1 9 . 1 1 54 54 PRO CA C 54 62.500 62.500 62.754 -0.254 25135 7336 1 9 . 1 1 54 54 PRO CB C 54 32.600 32.600 30.592 2.008 25135 7337 1 9 . 1 1 55 55 SER N N 55 119.500 119.500 117.615 1.885 25135 7338 1 9 . 1 1 55 55 SER HA H 55 4.370 4.370 4.451 -0.081 25135 7339 1 9 . 1 1 55 55 SER C C 55 175.500 175.500 176.036 -0.536 25135 7340 1 9 . 1 1 55 55 SER CA C 55 58.200 58.200 56.947 1.253 25135 7341 1 9 . 1 1 55 55 SER CB C 55 64.200 64.200 65.252 -1.052 25135 7342 1 9 . 1 1 55 55 SER H H 55 8.970 8.970 8.255 0.715 25135 7343 1 9 . 1 1 56 56 GLU N N 56 123.000 123.000 126.248 -3.248 25135 7344 1 9 . 1 1 56 56 GLU HA H 56 4.140 4.140 3.990 0.150 25135 7345 1 9 . 1 1 56 56 GLU C C 56 179.300 179.300 178.145 1.155 25135 7346 1 9 . 1 1 56 56 GLU CA C 56 59.700 59.700 60.459 -0.759 25135 7347 1 9 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.735 -0.535 25135 7348 1 9 . 1 1 56 56 GLU H H 56 9.030 9.030 9.077 -0.047 25135 7349 1 9 . 1 1 57 57 LYS N N 57 118.900 118.900 117.669 1.231 25135 7350 1 9 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.089 -0.089 25135 7351 1 9 . 1 1 57 57 LYS C C 57 179.400 179.400 178.426 0.974 25135 7352 1 9 . 1 1 57 57 LYS CA C 57 59.600 59.600 58.794 0.806 25135 7353 1 9 . 1 1 57 57 LYS CB C 57 32.700 32.700 31.841 0.859 25135 7354 1 9 . 1 1 57 57 LYS H H 57 8.150 8.150 8.353 -0.203 25135 7355 1 9 . 1 1 58 58 LEU N N 58 122.800 122.800 121.278 1.522 25135 7356 1 9 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.144 -0.044 25135 7357 1 9 . 1 1 58 58 LEU C C 58 178.200 178.200 178.561 -0.361 25135 7358 1 9 . 1 1 58 58 LEU CA C 58 58.300 58.300 57.978 0.322 25135 7359 1 9 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.253 -0.753 25135 7360 1 9 . 1 1 58 58 LEU H H 58 8.420 8.420 7.774 0.646 25135 7361 1 9 . 1 1 59 59 THR N N 59 117.800 117.800 113.641 4.159 25135 7362 1 9 . 1 1 59 59 THR HA H 59 3.730 3.730 4.061 -0.331 25135 7363 1 9 . 1 1 59 59 THR C C 59 176.800 176.800 176.569 0.231 25135 7364 1 9 . 1 1 59 59 THR CA C 59 67.500 67.500 66.622 0.878 25135 7365 1 9 . 1 1 59 59 THR CB C 59 68.400 68.400 68.445 -0.045 25135 7366 1 9 . 1 1 59 59 THR H H 59 8.600 8.600 8.585 0.015 25135 7367 1 9 . 1 1 60 60 THR N N 60 118.300 118.300 117.328 0.972 25135 7368 1 9 . 1 1 60 60 THR HA H 60 3.980 3.980 4.062 -0.082 25135 7369 1 9 . 1 1 60 60 THR C C 60 176.400 176.400 176.116 0.284 25135 7370 1 9 . 1 1 60 60 THR CA C 60 66.900 66.900 66.379 0.521 25135 7371 1 9 . 1 1 60 60 THR CB C 60 68.400 68.400 68.589 -0.189 25135 7372 1 9 . 1 1 60 60 THR H H 60 8.390 8.390 7.547 0.843 25135 7373 1 9 . 1 1 61 61 ALA N N 61 124.900 124.900 124.468 0.432 25135 7374 1 9 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.160 -0.040 25135 7375 1 9 . 1 1 61 61 ALA C C 61 180.000 180.000 179.697 0.303 25135 7376 1 9 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.358 0.441 25135 7377 1 9 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.160 0.640 25135 7378 1 9 . 1 1 61 61 ALA H H 61 8.090 8.090 7.732 0.358 25135 7379 1 9 . 1 1 62 62 MET N N 62 118.300 118.300 117.731 0.569 25135 7380 1 9 . 1 1 62 62 MET HA H 62 4.110 4.110 4.232 -0.122 25135 7381 1 9 . 1 1 62 62 MET C C 62 178.300 178.300 178.739 -0.439 25135 7382 1 9 . 1 1 62 62 MET CA C 62 59.600 59.600 59.817 -0.217 25135 7383 1 9 . 1 1 62 62 MET CB C 62 32.500 32.500 32.243 0.257 25135 7384 1 9 . 1 1 62 62 MET H H 62 8.820 8.820 8.748 0.072 25135 7385 1 9 . 1 1 63 63 ASN N N 63 119.500 119.500 118.386 1.114 25135 7386 1 9 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.524 0.056 25135 7387 1 9 . 1 1 63 63 ASN C C 63 179.000 179.000 177.857 1.143 25135 7388 1 9 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.704 -0.404 25135 7389 1 9 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.324 -0.624 25135 7390 1 9 . 1 1 63 63 ASN H H 63 8.320 8.320 8.788 -0.468 25135 7391 1 9 . 1 1 64 64 ARG N N 64 122.500 122.500 120.735 1.765 25135 7392 1 9 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.136 0.054 25135 7393 1 9 . 1 1 64 64 ARG C C 64 179.300 179.300 178.914 0.386 25135 7394 1 9 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.636 0.064 25135 7395 1 9 . 1 1 64 64 ARG CB C 64 30.700 30.700 30.168 0.532 25135 7396 1 9 . 1 1 64 64 ARG H H 64 8.560 8.560 8.080 0.480 25135 7397 1 9 . 1 1 65 65 PHE N N 65 123.100 123.100 121.751 1.349 25135 7398 1 9 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.306 0.164 25135 7399 1 9 . 1 1 65 65 PHE C C 65 176.400 176.400 177.219 -0.819 25135 7400 1 9 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.616 0.984 25135 7401 1 9 . 1 1 65 65 PHE CB C 65 39.400 39.400 38.883 0.517 25135 7402 1 9 . 1 1 65 65 PHE H H 65 8.560 8.560 8.883 -0.323 25135 7403 1 9 . 1 1 66 66 LYS N N 66 119.800 119.800 119.400 0.400 25135 7404 1 9 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.749 -0.129 25135 7405 1 9 . 1 1 66 66 LYS C C 66 177.600 177.600 178.777 -1.177 25135 7406 1 9 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.608 1.092 25135 7407 1 9 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.261 0.239 25135 7408 1 9 . 1 1 66 66 LYS H H 66 8.610 8.610 8.871 -0.261 25135 7409 1 9 . 1 1 67 67 ALA N N 67 119.000 119.000 121.757 -2.757 25135 7410 1 9 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.184 0.046 25135 7411 1 9 . 1 1 67 67 ALA C C 67 180.400 180.400 179.350 1.050 25135 7412 1 9 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.600 0.400 25135 7413 1 9 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.569 -0.569 25135 7414 1 9 . 1 1 67 67 ALA H H 67 8.000 8.000 8.112 -0.112 25135 7415 1 9 . 1 1 68 68 ALA N N 68 122.200 122.200 121.562 0.638 25135 7416 1 9 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.044 0.146 25135 7417 1 9 . 1 1 68 68 ALA C C 68 179.800 179.800 179.678 0.122 25135 7418 1 9 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.766 0.434 25135 7419 1 9 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.551 -0.751 25135 7420 1 9 . 1 1 68 68 ALA H H 68 7.950 7.950 8.604 -0.654 25135 7421 1 9 . 1 1 69 69 LEU N N 69 118.900 118.900 119.517 -0.617 25135 7422 1 9 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.832 0.018 25135 7423 1 9 . 1 1 69 69 LEU C C 69 179.200 179.200 178.837 0.363 25135 7424 1 9 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.305 -0.805 25135 7425 1 9 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.607 -0.207 25135 7426 1 9 . 1 1 69 69 LEU H H 69 8.020 8.020 8.316 -0.296 25135 7427 1 9 . 1 1 70 70 GLU N N 70 120.500 120.500 118.812 1.688 25135 7428 1 9 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.776 0.164 25135 7429 1 9 . 1 1 70 70 GLU C C 70 180.500 180.500 179.202 1.298 25135 7430 1 9 . 1 1 70 70 GLU CA C 70 59.900 59.900 59.702 0.198 25135 7431 1 9 . 1 1 70 70 GLU CB C 70 29.200 29.200 29.184 0.016 25135 7432 1 9 . 1 1 70 70 GLU H H 70 8.590 8.590 7.716 0.874 25135 7433 1 9 . 1 1 71 71 GLU N N 71 122.200 122.200 119.205 2.995 25135 7434 1 9 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.077 -0.007 25135 7435 1 9 . 1 1 71 71 GLU C C 71 179.600 179.600 178.519 1.081 25135 7436 1 9 . 1 1 71 71 GLU CA C 71 59.400 59.400 59.398 0.002 25135 7437 1 9 . 1 1 71 71 GLU CB C 71 29.400 29.400 29.144 0.256 25135 7438 1 9 . 1 1 71 71 GLU H H 71 8.300 8.300 7.727 0.573 25135 7439 1 9 . 1 1 72 72 ALA N N 72 122.800 122.800 121.852 0.948 25135 7440 1 9 . 1 1 72 72 ALA HA H 72 3.890 3.890 3.959 -0.069 25135 7441 1 9 . 1 1 72 72 ALA C C 72 178.500 178.500 179.509 -1.009 25135 7442 1 9 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.602 0.098 25135 7443 1 9 . 1 1 72 72 ALA CB C 72 17.200 17.200 18.015 -0.815 25135 7444 1 9 . 1 1 72 72 ALA H H 72 8.330 8.330 7.875 0.455 25135 7445 1 9 . 1 1 73 73 ASN N N 73 115.700 115.700 117.725 -2.025 25135 7446 1 9 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.359 0.091 25135 7447 1 9 . 1 1 73 73 ASN C C 73 177.600 177.600 178.008 -0.408 25135 7448 1 9 . 1 1 73 73 ASN CA C 73 56.300 56.300 56.011 0.289 25135 7449 1 9 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.079 0.821 25135 7450 1 9 . 1 1 73 73 ASN H H 73 8.460 8.460 8.739 -0.279 25135 7451 1 9 . 1 1 74 74 GLY N N 74 105.500 105.500 107.894 -2.394 25135 7452 1 9 . 1 1 74 74 GLY C C 74 177.100 177.100 176.426 0.674 25135 7453 1 9 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.884 0.116 25135 7454 1 9 . 1 1 74 74 GLY H H 74 8.070 8.070 8.597 -0.527 25135 7455 1 9 . 1 1 75 75 GLU N N 75 123.500 123.500 122.444 1.056 25135 7456 1 9 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.938 0.172 25135 7457 1 9 . 1 1 75 75 GLU C C 75 178.500 178.500 179.143 -0.643 25135 7458 1 9 . 1 1 75 75 GLU CA C 75 58.700 58.700 59.130 -0.430 25135 7459 1 9 . 1 1 75 75 GLU CB C 75 29.900 29.900 29.765 0.136 25135 7460 1 9 . 1 1 75 75 GLU H H 75 8.110 8.110 8.196 -0.086 25135 7461 1 9 . 1 1 76 76 ILE N N 76 120.300 120.300 119.015 1.285 25135 7462 1 9 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.876 -0.056 25135 7463 1 9 . 1 1 76 76 ILE C C 76 178.300 178.300 176.992 1.308 25135 7464 1 9 . 1 1 76 76 ILE CA C 76 65.500 65.500 65.202 0.298 25135 7465 1 9 . 1 1 76 76 ILE CB C 76 37.900 37.900 38.150 -0.250 25135 7466 1 9 . 1 1 76 76 ILE H H 76 8.330 8.330 8.625 -0.295 25135 7467 1 9 . 1 1 77 77 GLU N N 77 119.400 119.400 118.654 0.746 25135 7468 1 9 . 1 1 77 77 GLU HA H 77 3.920 3.920 4.067 -0.147 25135 7469 1 9 . 1 1 77 77 GLU C C 77 180.200 180.200 179.270 0.930 25135 7470 1 9 . 1 1 77 77 GLU CA C 77 59.700 59.700 58.577 1.123 25135 7471 1 9 . 1 1 77 77 GLU CB C 77 29.300 29.300 30.209 -0.909 25135 7472 1 9 . 1 1 77 77 GLU H H 77 7.860 7.860 7.898 -0.038 25135 7473 1 9 . 1 1 78 78 LYS N N 78 121.600 121.600 119.673 1.927 25135 7474 1 9 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.036 -0.136 25135 7475 1 9 . 1 1 78 78 LYS C C 78 179.200 179.200 178.123 1.077 25135 7476 1 9 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.147 1.753 25135 7477 1 9 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.310 -0.010 25135 7478 1 9 . 1 1 78 78 LYS H H 78 7.760 7.760 8.084 -0.324 25135 7479 1 9 . 1 1 79 79 PHE N N 79 115.900 115.900 116.939 -1.039 25135 7480 1 9 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.723 -0.043 25135 7481 1 9 . 1 1 79 79 PHE C C 79 174.100 174.100 175.675 -1.575 25135 7482 1 9 . 1 1 79 79 PHE CA C 79 58.200 58.200 56.620 1.580 25135 7483 1 9 . 1 1 79 79 PHE CB C 79 36.900 36.900 38.416 -1.516 25135 7484 1 9 . 1 1 79 79 PHE H H 79 8.170 8.170 7.496 0.674 25135 7485 1 9 . 1 1 80 80 SER N N 80 113.300 113.300 114.286 -0.986 25135 7486 1 9 . 1 1 80 80 SER HA H 80 4.500 4.500 4.402 0.098 25135 7487 1 9 . 1 1 80 80 SER C C 80 173.700 173.700 174.262 -0.562 25135 7488 1 9 . 1 1 80 80 SER CA C 80 60.500 60.500 60.303 0.197 25135 7489 1 9 . 1 1 80 80 SER CB C 80 63.400 63.400 64.126 -0.726 25135 7490 1 9 . 1 1 80 80 SER H H 80 7.700 7.700 7.497 0.203 25135 7491 1 9 . 1 1 81 81 ASN N N 81 119.500 119.500 119.029 0.471 25135 7492 1 9 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.763 0.207 25135 7493 1 9 . 1 1 81 81 ASN CA C 81 52.100 52.100 52.279 -0.179 25135 7494 1 9 . 1 1 81 81 ASN CB C 81 40.300 40.300 39.810 0.490 25135 7495 1 9 . 1 1 81 81 ASN H H 81 7.290 7.290 7.741 -0.451 25135 7496 1 9 . 1 1 82 82 ARG N N 82 127.400 127.400 127.399 0.001 25135 7497 1 9 . 1 1 82 82 ARG HA H 82 3.590 3.590 3.168 0.422 25135 7498 1 9 . 1 1 82 82 ARG C C 82 177.700 177.700 177.337 0.363 25135 7499 1 9 . 1 1 82 82 ARG CA C 82 59.800 59.800 58.878 0.922 25135 7500 1 9 . 1 1 82 82 ARG CB C 82 30.100 30.100 28.643 1.457 25135 7501 1 9 . 1 1 82 82 ARG H H 82 9.050 9.050 8.679 0.371 25135 7502 1 9 . 1 1 83 83 SER N N 83 114.600 114.600 113.750 0.850 25135 7503 1 9 . 1 1 83 83 SER HA H 83 3.930 3.930 4.203 -0.273 25135 7504 1 9 . 1 1 83 83 SER C C 83 177.100 177.100 175.631 1.469 25135 7505 1 9 . 1 1 83 83 SER CA C 83 62.200 62.200 61.464 0.736 25135 7506 1 9 . 1 1 83 83 SER CB C 83 62.000 62.000 62.722 -0.722 25135 7507 1 9 . 1 1 83 83 SER H H 83 8.390 8.390 8.415 -0.025 25135 7508 1 9 . 1 1 84 84 ASN N N 84 119.700 119.700 117.829 1.871 25135 7509 1 9 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.728 -0.128 25135 7510 1 9 . 1 1 84 84 ASN C C 84 179.100 179.100 177.425 1.675 25135 7511 1 9 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.386 0.014 25135 7512 1 9 . 1 1 84 84 ASN CB C 84 37.600 37.600 39.058 -1.458 25135 7513 1 9 . 1 1 84 84 ASN H H 84 7.980 7.980 7.776 0.204 25135 7514 1 9 . 1 1 85 85 ILE N N 85 122.100 122.100 122.486 -0.386 25135 7515 1 9 . 1 1 85 85 ILE HA H 85 3.820 3.820 3.988 -0.168 25135 7516 1 9 . 1 1 85 85 ILE C C 85 176.900 176.900 177.656 -0.756 25135 7517 1 9 . 1 1 85 85 ILE CA C 85 64.700 64.700 65.268 -0.568 25135 7518 1 9 . 1 1 85 85 ILE CB C 85 37.400 37.400 36.878 0.522 25135 7519 1 9 . 1 1 85 85 ILE H H 85 7.760 7.760 7.823 -0.063 25135 7520 1 9 . 1 1 86 86 CYS N N 86 119.200 119.200 116.832 2.368 25135 7521 1 9 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.794 0.146 25135 7522 1 9 . 1 1 86 86 CYS C C 86 177.400 177.400 176.892 0.508 25135 7523 1 9 . 1 1 86 86 CYS CA C 86 63.800 63.800 63.190 0.610 25135 7524 1 9 . 1 1 86 86 CYS CB C 86 26.900 26.900 26.434 0.466 25135 7525 1 9 . 1 1 86 86 CYS H H 86 8.330 8.330 8.190 0.140 25135 7526 1 9 . 1 1 87 87 ARG N N 87 119.200 119.200 119.511 -0.311 25135 7527 1 9 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.286 -0.266 25135 7528 1 9 . 1 1 87 87 ARG C C 87 178.500 178.500 178.850 -0.350 25135 7529 1 9 . 1 1 87 87 ARG CA C 87 59.500 59.500 58.883 0.617 25135 7530 1 9 . 1 1 87 87 ARG CB C 87 30.300 30.300 30.104 0.196 25135 7531 1 9 . 1 1 87 87 ARG H H 87 7.900 7.900 7.722 0.178 25135 7532 1 9 . 1 1 88 88 PHE N N 88 120.300 120.300 121.651 -1.351 25135 7533 1 9 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.434 -0.214 25135 7534 1 9 . 1 1 88 88 PHE C C 88 177.200 177.200 177.489 -0.289 25135 7535 1 9 . 1 1 88 88 PHE CA C 88 61.500 61.500 60.443 1.057 25135 7536 1 9 . 1 1 88 88 PHE CB C 88 39.800 39.800 38.688 1.112 25135 7537 1 9 . 1 1 88 88 PHE H H 88 7.760 7.760 8.695 -0.935 25135 7538 1 9 . 1 1 89 89 LEU N N 89 117.900 117.900 119.420 -1.520 25135 7539 1 9 . 1 1 89 89 LEU HA H 89 3.640 3.640 3.366 0.274 25135 7540 1 9 . 1 1 89 89 LEU C C 89 178.700 178.700 178.252 0.448 25135 7541 1 9 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.243 0.157 25135 7542 1 9 . 1 1 89 89 LEU CB C 89 41.600 41.600 40.997 0.603 25135 7543 1 9 . 1 1 89 89 LEU H H 89 8.590 8.590 8.008 0.582 25135 7544 1 9 . 1 1 90 90 THR N N 90 112.000 112.000 111.470 0.530 25135 7545 1 9 . 1 1 90 90 THR HA H 90 3.980 3.980 4.125 -0.145 25135 7546 1 9 . 1 1 90 90 THR C C 90 174.900 174.900 176.310 -1.410 25135 7547 1 9 . 1 1 90 90 THR CA C 90 65.200 65.200 64.506 0.694 25135 7548 1 9 . 1 1 90 90 THR CB C 90 69.300 69.300 69.410 -0.110 25135 7549 1 9 . 1 1 90 90 THR H H 90 7.690 7.690 7.596 0.094 25135 7550 1 9 . 1 1 91 91 ALA N N 91 122.400 122.400 121.882 0.518 25135 7551 1 9 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.448 -0.178 25135 7552 1 9 . 1 1 91 91 ALA C C 91 177.500 177.500 176.992 0.508 25135 7553 1 9 . 1 1 91 91 ALA CA C 91 53.000 53.000 52.143 0.857 25135 7554 1 9 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.794 0.206 25135 7555 1 9 . 1 1 91 91 ALA H H 91 7.220 7.220 7.734 -0.514 25135 7556 1 9 . 1 1 92 92 SER N N 92 112.900 112.900 112.972 -0.072 25135 7557 1 9 . 1 1 92 92 SER HA H 92 4.130 4.130 4.227 -0.097 25135 7558 1 9 . 1 1 92 92 SER CA C 92 57.600 57.600 58.355 -0.755 25135 7559 1 9 . 1 1 92 92 SER CB C 92 64.000 64.000 61.808 2.192 25135 7560 1 9 . 1 1 92 92 SER H H 92 7.510 7.510 7.891 -0.381 25135 7561 1 9 . 1 1 93 93 GLN N N 93 125.700 125.700 122.021 3.679 25135 7562 1 9 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.234 -0.034 25135 7563 1 9 . 1 1 93 93 GLN C C 93 176.700 176.700 176.488 0.212 25135 7564 1 9 . 1 1 93 93 GLN CA C 93 57.700 57.700 58.884 -1.184 25135 7565 1 9 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.548 -0.548 25135 7566 1 9 . 1 1 93 93 GLN H H 93 8.710 8.710 8.587 0.123 25135 7567 1 9 . 1 1 94 94 ASP N N 94 116.400 116.400 115.527 0.873 25135 7568 1 9 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.830 -0.270 25135 7569 1 9 . 1 1 94 94 ASP CA C 94 54.000 54.000 53.605 0.395 25135 7570 1 9 . 1 1 94 94 ASP CB C 94 41.700 41.700 41.542 0.158 25135 7571 1 9 . 1 1 94 94 ASP H H 94 7.800 7.800 8.723 -0.923 25135 7572 1 9 . 1 1 95 95 LYS N N 95 114.300 114.300 115.688 -1.388 25135 7573 1 9 . 1 1 95 95 LYS H H 95 8.290 8.290 8.747 -0.457 25135 7574 1 9 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.486 -0.166 25135 7575 1 9 . 1 1 96 96 ILE C C 96 177.000 177.000 176.546 0.454 25135 7576 1 9 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.644 1.156 25135 7577 1 9 . 1 1 96 96 ILE CB C 96 38.100 38.100 41.229 -3.129 25135 7578 1 9 . 1 1 97 97 LEU N N 97 131.100 131.100 127.654 3.446 25135 7579 1 9 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.104 0.016 25135 7580 1 9 . 1 1 97 97 LEU C C 97 177.200 177.200 175.806 1.394 25135 7581 1 9 . 1 1 97 97 LEU CA C 97 58.000 58.000 57.511 0.489 25135 7582 1 9 . 1 1 97 97 LEU CB C 97 42.900 42.900 41.598 1.302 25135 7583 1 9 . 1 1 97 97 LEU H H 97 8.620 8.620 9.253 -0.633 25135 7584 1 9 . 1 1 98 98 PHE N N 98 113.600 113.600 108.801 4.799 25135 7585 1 9 . 1 1 98 98 PHE HA H 98 5.100 5.100 5.057 0.043 25135 7586 1 9 . 1 1 98 98 PHE C C 98 175.400 175.400 174.951 0.449 25135 7587 1 9 . 1 1 98 98 PHE CA C 98 55.700 55.700 53.674 2.026 25135 7588 1 9 . 1 1 98 98 PHE CB C 98 37.600 37.600 37.574 0.026 25135 7589 1 9 . 1 1 98 98 PHE H H 98 8.450 8.450 7.753 0.697 25135 7590 1 9 . 1 1 99 99 LYS N N 99 119.500 119.500 124.111 -4.611 25135 7591 1 9 . 1 1 99 99 LYS HA H 99 3.880 3.880 3.921 -0.041 25135 7592 1 9 . 1 1 99 99 LYS C C 99 178.900 178.900 177.705 1.195 25135 7593 1 9 . 1 1 99 99 LYS CA C 99 61.100 61.100 60.672 0.428 25135 7594 1 9 . 1 1 99 99 LYS CB C 99 33.500 33.500 32.189 1.311 25135 7595 1 9 . 1 1 99 99 LYS H H 99 6.790 6.790 7.348 -0.558 25135 7596 1 9 . 1 1 100 100 ASP N N 100 117.800 117.800 118.366 -0.566 25135 7597 1 9 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.384 0.226 25135 7598 1 9 . 1 1 100 100 ASP C C 100 179.000 179.000 178.493 0.507 25135 7599 1 9 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.741 0.059 25135 7600 1 9 . 1 1 100 100 ASP CB C 100 40.400 40.400 40.044 0.356 25135 7601 1 9 . 1 1 100 100 ASP H H 100 8.520 8.520 8.713 -0.193 25135 7602 1 9 . 1 1 101 101 VAL N N 101 122.600 122.600 118.794 3.806 25135 7603 1 9 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.844 0.016 25135 7604 1 9 . 1 1 101 101 VAL C C 101 177.100 177.100 177.880 -0.780 25135 7605 1 9 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.297 -0.597 25135 7606 1 9 . 1 1 101 101 VAL CB C 101 32.300 32.300 32.078 0.222 25135 7607 1 9 . 1 1 101 101 VAL H H 101 8.210 8.210 7.729 0.481 25135 7608 1 9 . 1 1 102 102 ASN N N 102 121.000 121.000 117.631 3.369 25135 7609 1 9 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.857 -0.297 25135 7610 1 9 . 1 1 102 102 ASN C C 102 178.500 178.500 178.033 0.467 25135 7611 1 9 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.337 -0.137 25135 7612 1 9 . 1 1 102 102 ASN CB C 102 37.900 37.900 37.712 0.188 25135 7613 1 9 . 1 1 102 102 ASN H H 102 9.060 9.060 8.673 0.387 25135 7614 1 9 . 1 1 103 103 ARG N N 103 120.700 120.700 119.701 0.999 25135 7615 1 9 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.121 0.039 25135 7616 1 9 . 1 1 103 103 ARG C C 103 177.900 177.900 178.193 -0.293 25135 7617 1 9 . 1 1 103 103 ARG CA C 103 59.100 59.100 59.433 -0.333 25135 7618 1 9 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.476 -0.576 25135 7619 1 9 . 1 1 103 103 ARG H H 103 7.640 7.640 8.358 -0.718 25135 7620 1 9 . 1 1 104 104 LYS N N 104 119.700 119.700 120.476 -0.776 25135 7621 1 9 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.181 0.009 25135 7622 1 9 . 1 1 104 104 LYS C C 104 179.300 179.300 178.996 0.304 25135 7623 1 9 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.240 0.860 25135 7624 1 9 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.459 0.041 25135 7625 1 9 . 1 1 104 104 LYS H H 104 7.960 7.960 7.820 0.140 25135 7626 1 9 . 1 1 105 105 LEU N N 105 118.200 118.200 120.644 -2.444 25135 7627 1 9 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.137 -0.097 25135 7628 1 9 . 1 1 105 105 LEU C C 105 178.400 178.400 178.681 -0.281 25135 7629 1 9 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.430 0.070 25135 7630 1 9 . 1 1 105 105 LEU CB C 105 42.500 42.500 42.110 0.390 25135 7631 1 9 . 1 1 105 105 LEU H H 105 8.990 8.990 8.647 0.343 25135 7632 1 9 . 1 1 106 106 SER N N 106 111.700 111.700 114.552 -2.852 25135 7633 1 9 . 1 1 106 106 SER HA H 106 3.870 3.870 4.308 -0.438 25135 7634 1 9 . 1 1 106 106 SER C C 106 177.500 177.500 176.641 0.859 25135 7635 1 9 . 1 1 106 106 SER CA C 106 61.400 61.400 62.531 -1.131 25135 7636 1 9 . 1 1 106 106 SER CB C 106 62.600 62.600 62.288 0.312 25135 7637 1 9 . 1 1 106 106 SER H H 106 7.980 7.980 7.819 0.161 25135 7638 1 9 . 1 1 107 107 ASP N N 107 122.000 122.000 121.514 0.486 25135 7639 1 9 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.467 -0.027 25135 7640 1 9 . 1 1 107 107 ASP C C 107 179.700 179.700 178.646 1.054 25135 7641 1 9 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.020 0.880 25135 7642 1 9 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.513 0.087 25135 7643 1 9 . 1 1 107 107 ASP H H 107 8.500 8.500 7.824 0.676 25135 7644 1 9 . 1 1 108 108 VAL N N 108 119.200 119.200 119.062 0.138 25135 7645 1 9 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.931 0.079 25135 7646 1 9 . 1 1 108 108 VAL C C 108 178.400 178.400 177.367 1.033 25135 7647 1 9 . 1 1 108 108 VAL CA C 108 65.600 65.600 65.627 -0.027 25135 7648 1 9 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.310 0.190 25135 7649 1 9 . 1 1 108 108 VAL H H 108 8.830 8.830 7.883 0.947 25135 7650 1 9 . 1 1 109 109 TRP N N 109 121.900 121.900 122.046 -0.146 25135 7651 1 9 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.962 0.308 25135 7652 1 9 . 1 1 109 109 TRP C C 109 178.000 178.000 177.465 0.535 25135 7653 1 9 . 1 1 109 109 TRP CA C 109 60.100 60.100 60.063 0.037 25135 7654 1 9 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.638 0.062 25135 7655 1 9 . 1 1 109 109 TRP H H 109 8.710 8.710 7.821 0.889 25135 7656 1 9 . 1 1 110 110 LYS N N 110 119.500 119.500 118.539 0.961 25135 7657 1 9 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.736 -0.106 25135 7658 1 9 . 1 1 110 110 LYS C C 110 178.000 178.000 178.968 -0.968 25135 7659 1 9 . 1 1 110 110 LYS CA C 110 60.500 60.500 59.717 0.783 25135 7660 1 9 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.117 0.083 25135 7661 1 9 . 1 1 110 110 LYS H H 110 8.010 8.010 7.860 0.150 25135 7662 1 9 . 1 1 111 111 GLU N N 111 116.700 116.700 118.137 -1.437 25135 7663 1 9 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.124 -0.114 25135 7664 1 9 . 1 1 111 111 GLU C C 111 178.400 178.400 178.481 -0.081 25135 7665 1 9 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.068 0.732 25135 7666 1 9 . 1 1 111 111 GLU CB C 111 30.400 30.400 30.073 0.327 25135 7667 1 9 . 1 1 111 111 GLU H H 111 7.000 7.000 7.535 -0.535 25135 7668 1 9 . 1 1 112 112 LEU N N 112 119.000 119.000 121.373 -2.373 25135 7669 1 9 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.179 -0.439 25135 7670 1 9 . 1 1 112 112 LEU C C 112 177.600 177.600 177.627 -0.027 25135 7671 1 9 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.217 0.583 25135 7672 1 9 . 1 1 112 112 LEU CB C 112 42.200 42.200 42.051 0.149 25135 7673 1 9 . 1 1 112 112 LEU H H 112 8.380 8.380 8.151 0.229 25135 7674 1 9 . 1 1 113 113 SER N N 113 113.100 113.100 114.895 -1.795 25135 7675 1 9 . 1 1 113 113 SER HA H 113 3.190 3.190 3.562 -0.372 25135 7676 1 9 . 1 1 113 113 SER C C 113 176.300 176.300 175.986 0.314 25135 7677 1 9 . 1 1 113 113 SER CA C 113 61.600 61.600 61.162 0.438 25135 7678 1 9 . 1 1 113 113 SER CB C 113 61.800 61.800 61.946 -0.146 25135 7679 1 9 . 1 1 113 113 SER H H 113 8.490 8.490 8.022 0.468 25135 7680 1 9 . 1 1 114 114 LEU N N 114 121.500 121.500 121.296 0.204 25135 7681 1 9 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.030 -0.010 25135 7682 1 9 . 1 1 114 114 LEU C C 114 179.100 179.100 177.414 1.686 25135 7683 1 9 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.144 0.856 25135 7684 1 9 . 1 1 114 114 LEU CB C 114 41.800 41.800 40.623 1.177 25135 7685 1 9 . 1 1 114 114 LEU H H 114 6.810 6.810 7.118 -0.308 25135 7686 1 9 . 1 1 115 115 LEU N N 115 118.200 118.200 118.382 -0.182 25135 7687 1 9 . 1 1 115 115 LEU HA H 115 4.060 4.060 4.004 0.056 25135 7688 1 9 . 1 1 115 115 LEU C C 115 179.600 179.600 179.245 0.355 25135 7689 1 9 . 1 1 115 115 LEU CA C 115 57.700 57.700 56.933 0.767 25135 7690 1 9 . 1 1 115 115 LEU CB C 115 43.100 43.100 41.913 1.187 25135 7691 1 9 . 1 1 115 115 LEU H H 115 7.270 7.270 7.077 0.193 25135 7692 1 9 . 1 1 116 116 LEU N N 116 118.700 118.700 120.736 -2.036 25135 7693 1 9 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.799 0.051 25135 7694 1 9 . 1 1 116 116 LEU C C 116 179.300 179.300 179.068 0.232 25135 7695 1 9 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.272 -0.672 25135 7696 1 9 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.722 -0.322 25135 7697 1 9 . 1 1 116 116 LEU H H 116 8.440 8.440 8.100 0.340 25135 7698 1 9 . 1 1 117 117 GLN N N 117 119.500 119.500 116.600 2.900 25135 7699 1 9 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.182 0.158 25135 7700 1 9 . 1 1 117 117 GLN C C 117 178.200 178.200 178.670 -0.470 25135 7701 1 9 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.882 -0.082 25135 7702 1 9 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.630 0.170 25135 7703 1 9 . 1 1 117 117 GLN H H 117 8.030 8.030 8.116 -0.086 25135 7704 1 9 . 1 1 118 118 VAL N N 118 117.600 117.600 118.982 -1.382 25135 7705 1 9 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.837 0.003 25135 7706 1 9 . 1 1 118 118 VAL C C 118 177.900 177.900 177.616 0.284 25135 7707 1 9 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.331 0.069 25135 7708 1 9 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.734 1.166 25135 7709 1 9 . 1 1 118 118 VAL H H 118 8.110 8.110 7.684 0.426 25135 7710 1 9 . 1 1 119 119 GLU N N 119 116.900 116.900 118.387 -1.487 25135 7711 1 9 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.059 0.251 25135 7712 1 9 . 1 1 119 119 GLU C C 119 177.700 177.700 178.282 -0.582 25135 7713 1 9 . 1 1 119 119 GLU CA C 119 58.400 58.400 58.896 -0.496 25135 7714 1 9 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.323 1.377 25135 7715 1 9 . 1 1 119 119 GLU H H 119 8.620 8.620 8.380 0.240 25135 7716 1 9 . 1 1 120 120 GLN N N 120 113.300 113.300 116.667 -3.367 25135 7717 1 9 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.273 0.177 25135 7718 1 9 . 1 1 120 120 GLN C C 120 174.700 174.700 176.607 -1.907 25135 7719 1 9 . 1 1 120 120 GLN CA C 120 54.500 54.500 56.000 -1.500 25135 7720 1 9 . 1 1 120 120 GLN CB C 120 28.600 28.600 29.782 -1.182 25135 7721 1 9 . 1 1 120 120 GLN H H 120 7.350 7.350 8.057 -0.707 25135 7722 1 9 . 1 1 121 121 ARG N N 121 114.800 114.800 113.881 0.919 25135 7723 1 9 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.113 0.007 25135 7724 1 9 . 1 1 121 121 ARG C C 121 175.600 175.600 175.803 -0.203 25135 7725 1 9 . 1 1 121 121 ARG CA C 121 56.600 56.600 56.931 -0.331 25135 7726 1 9 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.407 0.293 25135 7727 1 9 . 1 1 121 121 ARG H H 121 7.410 7.410 8.096 -0.686 25135 7728 1 9 . 1 1 122 122 MET N N 122 120.300 120.300 117.276 3.024 25135 7729 1 9 . 1 1 122 122 MET HA H 122 4.600 4.600 4.836 -0.236 25135 7730 1 9 . 1 1 122 122 MET CA C 122 53.700 53.700 53.370 0.330 25135 7731 1 9 . 1 1 122 122 MET CB C 122 34.700 34.700 32.572 2.127 25135 7732 1 9 . 1 1 122 122 MET H H 122 7.760 7.760 7.522 0.238 25135 7733 1 9 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.453 0.027 25135 7734 1 9 . 1 1 123 123 PRO C C 123 176.300 176.300 175.742 0.558 25135 7735 1 9 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.642 -0.842 25135 7736 1 9 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.767 -0.467 25135 7737 1 9 . 1 1 124 124 VAL N N 124 120.000 120.000 122.068 -2.068 25135 7738 1 9 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.410 -0.330 25135 7739 1 9 . 1 1 124 124 VAL C C 124 175.800 175.800 175.110 0.690 25135 7740 1 9 . 1 1 124 124 VAL CA C 124 61.700 61.700 60.783 0.917 25135 7741 1 9 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.390 -1.290 25135 7742 1 9 . 1 1 124 124 VAL H H 124 8.080 8.080 8.287 -0.207 25135 7743 1 9 . 1 1 125 125 SER N N 125 121.200 121.200 119.637 1.563 25135 7744 1 9 . 1 1 125 125 SER HA H 125 4.800 4.800 4.917 -0.117 25135 7745 1 9 . 1 1 125 125 SER CA C 125 56.200 56.200 56.636 -0.436 25135 7746 1 9 . 1 1 125 125 SER CB C 125 63.700 63.700 63.180 0.520 25135 7747 1 9 . 1 1 125 125 SER H H 125 8.380 8.380 8.188 0.192 25135 7748 1 9 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.420 0.060 25135 7749 1 9 . 1 1 126 126 PRO C C 126 177.100 177.100 175.852 1.248 25135 7750 1 9 . 1 1 126 126 PRO CA C 126 63.400 63.400 63.152 0.248 25135 7751 1 9 . 1 1 126 126 PRO CB C 126 31.900 31.900 29.607 2.293 25135 7752 1 9 . 1 1 127 127 ILE N N 127 119.900 119.900 120.315 -0.415 25135 7753 1 9 . 1 1 127 127 ILE HA H 127 4.140 4.140 4.096 0.044 25135 7754 1 9 . 1 1 127 127 ILE C C 127 176.300 176.300 176.966 -0.666 25135 7755 1 9 . 1 1 127 127 ILE CA C 127 61.300 61.300 61.810 -0.511 25135 7756 1 9 . 1 1 127 127 ILE CB C 127 38.800 38.800 36.243 2.557 25135 7757 1 9 . 1 1 127 127 ILE H H 127 8.050 8.050 8.798 -0.748 25135 7758 1 9 . 1 1 128 128 SER N N 128 119.000 119.000 117.495 1.505 25135 7759 1 9 . 1 1 128 128 SER HA H 128 4.400 4.400 4.108 0.292 25135 7760 1 9 . 1 1 128 128 SER C C 128 174.600 174.600 176.012 -1.412 25135 7761 1 9 . 1 1 128 128 SER CA C 128 58.300 58.300 61.290 -2.990 25135 7762 1 9 . 1 1 128 128 SER CB C 128 63.600 63.600 63.391 0.209 25135 7763 1 9 . 1 1 128 128 SER H H 128 8.230 8.230 8.929 -0.699 25135 7764 1 9 . 1 1 129 129 GLN N N 129 122.600 122.600 117.747 4.853 25135 7765 1 9 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.280 -0.050 25135 7766 1 9 . 1 1 129 129 GLN C C 129 176.200 176.200 176.351 -0.151 25135 7767 1 9 . 1 1 129 129 GLN CA C 129 56.300 56.300 56.564 -0.264 25135 7768 1 9 . 1 1 129 129 GLN CB C 129 29.100 29.100 28.922 0.178 25135 7769 1 9 . 1 1 129 129 GLN H H 129 8.340 8.340 8.217 0.123 25135 7770 1 9 . 1 1 130 130 GLY N N 130 109.200 109.200 107.008 2.192 25135 7771 1 9 . 1 1 130 130 GLY C C 130 175.100 175.100 173.854 1.246 25135 7772 1 9 . 1 1 130 130 GLY CA C 130 45.200 45.200 45.126 0.074 25135 7773 1 9 . 1 1 130 130 GLY H H 130 8.150 8.150 8.432 -0.282 25135 7774 1 9 . 1 1 131 131 ALA N N 131 124.700 124.700 124.319 0.381 25135 7775 1 9 . 1 1 131 131 ALA HA H 131 4.230 4.230 2.968 1.262 25135 7776 1 9 . 1 1 131 131 ALA C C 131 178.700 178.700 177.309 1.391 25135 7777 1 9 . 1 1 131 131 ALA CA C 131 53.800 53.800 51.978 1.822 25135 7778 1 9 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.548 0.352 25135 7779 1 9 . 1 1 131 131 ALA H H 131 8.070 8.070 8.323 -0.253 25135 7780 1 9 . 1 1 132 132 SER N N 132 113.200 113.200 114.137 -0.937 25135 7781 1 9 . 1 1 132 132 SER HA H 132 4.580 4.580 4.388 0.192 25135 7782 1 9 . 1 1 132 132 SER C C 132 175.700 175.700 175.626 0.074 25135 7783 1 9 . 1 1 132 132 SER CA C 132 58.500 58.500 58.980 -0.480 25135 7784 1 9 . 1 1 132 132 SER CB C 132 63.800 63.800 62.439 1.361 25135 7785 1 9 . 1 1 132 132 SER H H 132 8.340 8.340 7.905 0.435 25135 7786 1 9 . 1 1 133 133 TRP N N 133 122.800 122.800 122.253 0.547 25135 7787 1 9 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.268 0.262 25135 7788 1 9 . 1 1 133 133 TRP C C 133 178.200 178.200 177.623 0.577 25135 7789 1 9 . 1 1 133 133 TRP CA C 133 58.900 58.900 59.296 -0.396 25135 7790 1 9 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.611 1.589 25135 7791 1 9 . 1 1 133 133 TRP H H 133 8.380 8.380 7.105 1.275 25135 7792 1 9 . 1 1 134 134 ALA N N 134 120.600 120.600 120.232 0.368 25135 7793 1 9 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.848 0.402 25135 7794 1 9 . 1 1 134 134 ALA C C 134 180.700 180.700 180.242 0.458 25135 7795 1 9 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.008 0.692 25135 7796 1 9 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.936 0.064 25135 7797 1 9 . 1 1 134 134 ALA H H 134 8.420 8.420 8.554 -0.134 25135 7798 1 9 . 1 1 135 135 GLN N N 135 118.900 118.900 117.715 1.185 25135 7799 1 9 . 1 1 135 135 GLN HA H 135 4.100 4.100 4.021 0.079 25135 7800 1 9 . 1 1 135 135 GLN C C 135 179.200 179.200 178.892 0.308 25135 7801 1 9 . 1 1 135 135 GLN CA C 135 59.000 59.000 59.283 -0.283 25135 7802 1 9 . 1 1 135 135 GLN CB C 135 28.500 28.500 28.727 -0.227 25135 7803 1 9 . 1 1 135 135 GLN H H 135 7.860 7.860 8.061 -0.201 25135 7804 1 9 . 1 1 136 136 GLU N N 136 120.900 120.900 119.005 1.895 25135 7805 1 9 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.232 -0.412 25135 7806 1 9 . 1 1 136 136 GLU C C 136 177.800 177.800 179.017 -1.217 25135 7807 1 9 . 1 1 136 136 GLU CA C 136 59.000 59.000 58.861 0.139 25135 7808 1 9 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.822 0.178 25135 7809 1 9 . 1 1 136 136 GLU H H 136 7.720 7.720 7.692 0.028 25135 7810 1 9 . 1 1 137 137 ASP N N 137 118.200 118.200 120.206 -2.006 25135 7811 1 9 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.520 -0.060 25135 7812 1 9 . 1 1 137 137 ASP C C 137 178.100 178.100 178.609 -0.509 25135 7813 1 9 . 1 1 137 137 ASP CA C 137 57.200 57.200 57.483 -0.283 25135 7814 1 9 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.515 -0.415 25135 7815 1 9 . 1 1 137 137 ASP H H 137 8.800 8.800 8.807 -0.007 25135 7816 1 9 . 1 1 138 138 GLN N N 138 116.900 116.900 118.783 -1.883 25135 7817 1 9 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.160 -0.280 25135 7818 1 9 . 1 1 138 138 GLN C C 138 178.400 178.400 178.073 0.327 25135 7819 1 9 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.532 0.368 25135 7820 1 9 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.130 0.570 25135 7821 1 9 . 1 1 138 138 GLN H H 138 7.510 7.510 7.895 -0.385 25135 7822 1 9 . 1 1 139 139 GLN N N 139 119.500 119.500 119.508 -0.008 25135 7823 1 9 . 1 1 139 139 GLN HA H 139 4.110 4.110 4.053 0.057 25135 7824 1 9 . 1 1 139 139 GLN C C 139 178.900 178.900 178.447 0.453 25135 7825 1 9 . 1 1 139 139 GLN CA C 139 58.900 58.900 59.093 -0.193 25135 7826 1 9 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.760 -0.160 25135 7827 1 9 . 1 1 139 139 GLN H H 139 7.520 7.520 7.749 -0.229 25135 7828 1 9 . 1 1 140 140 ASP N N 140 121.700 121.700 119.537 2.163 25135 7829 1 9 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.579 -0.559 25135 7830 1 9 . 1 1 140 140 ASP C C 140 177.700 177.700 177.731 -0.031 25135 7831 1 9 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.942 0.358 25135 7832 1 9 . 1 1 140 140 ASP CB C 140 40.700 40.700 40.748 -0.048 25135 7833 1 9 . 1 1 140 140 ASP H H 140 9.130 9.130 8.184 0.946 25135 7834 1 9 . 1 1 141 141 ALA N N 141 121.000 121.000 124.303 -3.303 25135 7835 1 9 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.111 0.139 25135 7836 1 9 . 1 1 141 141 ALA C C 141 180.800 180.800 178.903 1.897 25135 7837 1 9 . 1 1 141 141 ALA CA C 141 55.400 55.400 55.172 0.228 25135 7838 1 9 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.563 0.937 25135 7839 1 9 . 1 1 141 141 ALA H H 141 8.720 8.720 7.714 1.006 25135 7840 1 9 . 1 1 142 142 ASP N N 142 119.100 119.100 118.095 1.005 25135 7841 1 9 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.309 0.121 25135 7842 1 9 . 1 1 142 142 ASP C C 142 178.600 178.600 178.861 -0.261 25135 7843 1 9 . 1 1 142 142 ASP CA C 142 57.600 57.600 58.395 -0.795 25135 7844 1 9 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.476 0.824 25135 7845 1 9 . 1 1 142 142 ASP H H 142 7.850 7.850 8.515 -0.665 25135 7846 1 9 . 1 1 143 143 GLU N N 143 119.500 119.500 118.072 1.428 25135 7847 1 9 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.187 -0.157 25135 7848 1 9 . 1 1 143 143 GLU C C 143 180.100 180.100 178.767 1.333 25135 7849 1 9 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.918 0.782 25135 7850 1 9 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.509 0.091 25135 7851 1 9 . 1 1 143 143 GLU H H 143 7.860 7.860 7.661 0.199 25135 7852 1 9 . 1 1 144 144 ASP N N 144 121.000 121.000 121.204 -0.204 25135 7853 1 9 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.331 0.319 25135 7854 1 9 . 1 1 144 144 ASP C C 144 179.500 179.500 178.231 1.269 25135 7855 1 9 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.622 -0.122 25135 7856 1 9 . 1 1 144 144 ASP CB C 144 41.100 41.100 40.736 0.364 25135 7857 1 9 . 1 1 144 144 ASP H H 144 8.840 8.840 8.307 0.533 25135 7858 1 9 . 1 1 145 145 ARG N N 145 121.400 121.400 118.532 2.868 25135 7859 1 9 . 1 1 145 145 ARG HA H 145 4.130 4.130 4.091 0.039 25135 7860 1 9 . 1 1 145 145 ARG C C 145 178.700 178.700 178.985 -0.285 25135 7861 1 9 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.540 -0.040 25135 7862 1 9 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.820 -0.220 25135 7863 1 9 . 1 1 145 145 ARG H H 145 8.510 8.510 8.267 0.243 25135 7864 1 9 . 1 1 146 146 ARG N N 146 119.400 119.400 119.130 0.270 25135 7865 1 9 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.192 -0.082 25135 7866 1 9 . 1 1 146 146 ARG C C 146 178.400 178.400 178.373 0.027 25135 7867 1 9 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.241 1.159 25135 7868 1 9 . 1 1 146 146 ARG CB C 146 30.200 30.200 28.936 1.264 25135 7869 1 9 . 1 1 146 146 ARG H H 146 7.680 7.680 7.778 -0.098 25135 7870 1 9 . 1 1 147 147 ALA N N 147 120.300 120.300 123.834 -3.534 25135 7871 1 9 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.143 0.167 25135 7872 1 9 . 1 1 147 147 ALA C C 147 179.500 179.500 179.383 0.117 25135 7873 1 9 . 1 1 147 147 ALA CA C 147 54.100 54.100 54.974 -0.874 25135 7874 1 9 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.924 0.176 25135 7875 1 9 . 1 1 147 147 ALA H H 147 7.840 7.840 8.024 -0.184 25135 7876 1 9 . 1 1 148 148 PHE N N 148 119.900 119.900 117.779 2.121 25135 7877 1 9 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.598 -0.208 25135 7878 1 9 . 1 1 148 148 PHE C C 148 176.900 176.900 178.095 -1.195 25135 7879 1 9 . 1 1 148 148 PHE CA C 148 60.500 60.500 58.923 1.577 25135 7880 1 9 . 1 1 148 148 PHE CB C 148 39.700 39.700 38.167 1.533 25135 7881 1 9 . 1 1 148 148 PHE H H 148 8.210 8.210 8.688 -0.478 25135 7882 1 9 . 1 1 149 149 GLN N N 149 118.500 118.500 119.809 -1.309 25135 7883 1 9 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.383 0.747 25135 7884 1 9 . 1 1 149 149 GLN C C 149 176.400 176.400 176.665 -0.265 25135 7885 1 9 . 1 1 149 149 GLN CA C 149 56.900 56.900 58.372 -1.472 25135 7886 1 9 . 1 1 149 149 GLN CB C 149 28.900 28.900 28.920 -0.020 25135 7887 1 9 . 1 1 149 149 GLN H H 149 7.960 7.960 7.768 0.192 25135 7888 1 9 . 1 1 150 150 MET N N 150 118.000 118.000 113.761 4.239 25135 7889 1 9 . 1 1 150 150 MET HA H 150 4.360 4.360 4.495 -0.135 25135 7890 1 9 . 1 1 150 150 MET C C 150 176.300 176.300 175.768 0.532 25135 7891 1 9 . 1 1 150 150 MET CA C 150 56.000 56.000 55.407 0.593 25135 7892 1 9 . 1 1 150 150 MET CB C 150 32.800 32.800 34.253 -1.453 25135 7893 1 9 . 1 1 150 150 MET H H 150 7.760 7.760 7.507 0.253 25135 7894 1 9 . 1 1 151 151 LEU N N 151 121.200 121.200 121.202 -0.002 25135 7895 1 9 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.408 -0.138 25135 7896 1 9 . 1 1 151 151 LEU C C 151 177.100 177.100 177.663 -0.563 25135 7897 1 9 . 1 1 151 151 LEU CA C 151 55.400 55.400 56.883 -1.484 25135 7898 1 9 . 1 1 151 151 LEU CB C 151 42.300 42.300 43.739 -1.439 25135 7899 1 9 . 1 1 151 151 LEU H H 151 7.690 7.690 8.342 -0.652 25135 7900 1 9 . 1 1 152 152 ARG N N 152 121.800 121.800 114.302 7.498 25135 7901 1 9 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.558 -0.318 25135 7902 1 9 . 1 1 152 152 ARG C C 152 176.000 176.000 175.637 0.363 25135 7903 1 9 . 1 1 152 152 ARG CA C 152 56.200 56.200 55.382 0.818 25135 7904 1 9 . 1 1 152 152 ARG CB C 152 30.900 30.900 32.023 -1.123 25135 7905 1 9 . 1 1 152 152 ARG H H 152 8.120 8.120 8.202 -0.082 25135 7906 1 9 . 1 1 153 153 ARG N N 153 123.100 123.100 118.293 4.807 25135 7907 1 9 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.154 0.206 25135 7908 1 9 . 1 1 153 153 ARG C C 153 174.900 174.900 174.576 0.324 25135 7909 1 9 . 1 1 153 153 ARG CA C 153 56.000 56.000 57.369 -1.369 25135 7910 1 9 . 1 1 153 153 ARG CB C 153 31.000 31.000 28.653 2.347 25135 7911 1 9 . 1 1 153 153 ARG H H 153 8.380 8.380 7.778 0.602 25135 7912 1 10 . 1 1 2 2 GLU N N 2 120.000 120.000 120.290 -0.290 25135 7913 1 10 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.075 -0.095 25135 7914 1 10 . 1 1 2 2 GLU C C 2 178.400 178.400 177.552 0.848 25135 7915 1 10 . 1 1 2 2 GLU CA C 2 59.400 59.400 59.310 0.090 25135 7916 1 10 . 1 1 2 2 GLU CB C 2 29.200 29.200 29.482 -0.282 25135 7917 1 10 . 1 1 2 2 GLU H H 2 8.140 8.140 8.782 -0.642 25135 7918 1 10 . 1 1 3 3 ASN N N 3 117.300 117.300 115.248 2.052 25135 7919 1 10 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.684 -0.044 25135 7920 1 10 . 1 1 3 3 ASN C C 3 177.900 177.900 176.612 1.288 25135 7921 1 10 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.663 1.137 25135 7922 1 10 . 1 1 3 3 ASN CB C 3 39.000 39.000 38.292 0.708 25135 7923 1 10 . 1 1 3 3 ASN H H 3 7.960 7.960 8.657 -0.697 25135 7924 1 10 . 1 1 4 4 LEU N N 4 119.700 119.700 122.372 -2.672 25135 7925 1 10 . 1 1 4 4 LEU HA H 4 4.030 4.030 3.991 0.039 25135 7926 1 10 . 1 1 4 4 LEU C C 4 177.900 177.900 178.306 -0.406 25135 7927 1 10 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.607 -0.207 25135 7928 1 10 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.730 0.271 25135 7929 1 10 . 1 1 4 4 LEU H H 4 8.450 8.450 8.139 0.311 25135 7930 1 10 . 1 1 5 5 LYS N N 5 118.200 118.200 115.817 2.383 25135 7931 1 10 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.080 -0.140 25135 7932 1 10 . 1 1 5 5 LYS C C 5 179.200 179.200 179.044 0.156 25135 7933 1 10 . 1 1 5 5 LYS CA C 5 60.000 60.000 58.184 1.816 25135 7934 1 10 . 1 1 5 5 LYS CB C 5 31.900 31.900 31.560 0.340 25135 7935 1 10 . 1 1 5 5 LYS H H 5 7.940 7.940 7.840 0.100 25135 7936 1 10 . 1 1 6 6 HIS N N 6 118.400 118.400 119.693 -1.293 25135 7937 1 10 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.490 -0.070 25135 7938 1 10 . 1 1 6 6 HIS C C 6 178.200 178.200 177.657 0.543 25135 7939 1 10 . 1 1 6 6 HIS CA C 6 59.100 59.100 59.230 -0.130 25135 7940 1 10 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.409 0.491 25135 7941 1 10 . 1 1 6 6 HIS H H 6 7.710 7.710 7.735 -0.025 25135 7942 1 10 . 1 1 7 7 ILE N N 7 120.300 120.300 121.335 -1.035 25135 7943 1 10 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.463 -0.023 25135 7944 1 10 . 1 1 7 7 ILE C C 7 176.500 176.500 177.467 -0.967 25135 7945 1 10 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.712 0.288 25135 7946 1 10 . 1 1 7 7 ILE CB C 7 38.700 38.700 38.042 0.658 25135 7947 1 10 . 1 1 7 7 ILE H H 7 7.950 7.950 8.381 -0.431 25135 7948 1 10 . 1 1 8 8 ILE N N 8 120.200 120.200 119.168 1.032 25135 7949 1 10 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.441 0.139 25135 7950 1 10 . 1 1 8 8 ILE C C 8 178.000 178.000 177.785 0.215 25135 7951 1 10 . 1 1 8 8 ILE CA C 8 65.800 65.800 65.814 -0.014 25135 7952 1 10 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.529 1.071 25135 7953 1 10 . 1 1 8 8 ILE H H 8 8.450 8.450 8.923 -0.473 25135 7954 1 10 . 1 1 9 9 THR N N 9 115.400 115.400 114.716 0.684 25135 7955 1 10 . 1 1 9 9 THR HA H 9 3.880 3.880 3.968 -0.088 25135 7956 1 10 . 1 1 9 9 THR C C 9 176.300 176.300 176.677 -0.377 25135 7957 1 10 . 1 1 9 9 THR CA C 9 66.900 66.900 66.145 0.755 25135 7958 1 10 . 1 1 9 9 THR CB C 9 68.800 68.800 68.746 0.054 25135 7959 1 10 . 1 1 9 9 THR H H 9 8.120 8.120 7.449 0.671 25135 7960 1 10 . 1 1 10 10 LEU N N 10 122.100 122.100 121.630 0.470 25135 7961 1 10 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.104 -0.054 25135 7962 1 10 . 1 1 10 10 LEU C C 10 178.800 178.800 178.295 0.505 25135 7963 1 10 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.825 1.075 25135 7964 1 10 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.173 1.127 25135 7965 1 10 . 1 1 10 10 LEU H H 10 7.950 7.950 7.577 0.373 25135 7966 1 10 . 1 1 11 11 GLY N N 11 105.800 105.800 105.159 0.641 25135 7967 1 10 . 1 1 11 11 GLY C C 11 174.700 174.700 176.127 -1.427 25135 7968 1 10 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.089 0.411 25135 7969 1 10 . 1 1 11 11 GLY H H 11 8.660 8.660 8.415 0.245 25135 7970 1 10 . 1 1 12 12 GLN N N 12 119.600 119.600 119.843 -0.243 25135 7971 1 10 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.317 -0.327 25135 7972 1 10 . 1 1 12 12 GLN C C 12 179.600 179.600 178.626 0.974 25135 7973 1 10 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.502 1.798 25135 7974 1 10 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.503 -0.603 25135 7975 1 10 . 1 1 12 12 GLN H H 12 8.050 8.050 7.450 0.600 25135 7976 1 10 . 1 1 13 13 VAL N N 13 122.600 122.600 121.988 0.612 25135 7977 1 10 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.567 0.103 25135 7978 1 10 . 1 1 13 13 VAL C C 13 178.500 178.500 177.671 0.829 25135 7979 1 10 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.861 -0.161 25135 7980 1 10 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.652 0.248 25135 7981 1 10 . 1 1 13 13 VAL H H 13 8.300 8.300 7.867 0.433 25135 7982 1 10 . 1 1 14 14 ILE N N 14 121.000 121.000 119.047 1.953 25135 7983 1 10 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.731 -0.261 25135 7984 1 10 . 1 1 14 14 ILE C C 14 177.700 177.700 178.149 -0.449 25135 7985 1 10 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.129 0.672 25135 7986 1 10 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.828 0.572 25135 7987 1 10 . 1 1 14 14 ILE H H 14 8.480 8.480 8.532 -0.052 25135 7988 1 10 . 1 1 15 15 HIS N N 15 118.900 118.900 118.340 0.560 25135 7989 1 10 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.408 -0.508 25135 7990 1 10 . 1 1 15 15 HIS C C 15 176.200 176.200 177.053 -0.853 25135 7991 1 10 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.060 2.240 25135 7992 1 10 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.176 -0.176 25135 7993 1 10 . 1 1 15 15 HIS H H 15 8.250 8.250 7.554 0.696 25135 7994 1 10 . 1 1 16 16 LYS N N 16 118.500 118.500 120.082 -1.582 25135 7995 1 10 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.673 -0.003 25135 7996 1 10 . 1 1 16 16 LYS C C 16 179.200 179.200 178.816 0.384 25135 7997 1 10 . 1 1 16 16 LYS CA C 16 59.500 59.500 59.177 0.323 25135 7998 1 10 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.139 0.361 25135 7999 1 10 . 1 1 16 16 LYS H H 16 7.820 7.820 8.191 -0.371 25135 8000 1 10 . 1 1 17 17 ARG N N 17 117.600 117.600 119.575 -1.975 25135 8001 1 10 . 1 1 17 17 ARG HA H 17 3.960 3.960 3.934 0.026 25135 8002 1 10 . 1 1 17 17 ARG C C 17 180.600 180.600 178.439 2.161 25135 8003 1 10 . 1 1 17 17 ARG CA C 17 59.200 59.200 59.562 -0.362 25135 8004 1 10 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.340 0.160 25135 8005 1 10 . 1 1 17 17 ARG H H 17 8.330 8.330 8.768 -0.438 25135 8006 1 10 . 1 1 18 18 CYS N N 18 118.100 118.100 115.746 2.354 25135 8007 1 10 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.223 -0.333 25135 8008 1 10 . 1 1 18 18 CYS C C 18 177.300 177.300 177.449 -0.149 25135 8009 1 10 . 1 1 18 18 CYS CA C 18 65.900 65.900 61.162 4.738 25135 8010 1 10 . 1 1 18 18 CYS CB C 18 27.600 27.600 27.296 0.304 25135 8011 1 10 . 1 1 18 18 CYS H H 18 8.550 8.550 7.676 0.874 25135 8012 1 10 . 1 1 19 19 GLU N N 19 117.900 117.900 120.723 -2.823 25135 8013 1 10 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.050 -0.240 25135 8014 1 10 . 1 1 19 19 GLU C C 19 177.100 177.100 177.768 -0.668 25135 8015 1 10 . 1 1 19 19 GLU CA C 19 58.300 58.300 58.864 -0.564 25135 8016 1 10 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.395 0.605 25135 8017 1 10 . 1 1 19 19 GLU H H 19 7.540 7.540 7.763 -0.223 25135 8018 1 10 . 1 1 20 20 GLU N N 20 115.400 115.400 114.139 1.261 25135 8019 1 10 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.325 -0.105 25135 8020 1 10 . 1 1 20 20 GLU C C 20 177.100 177.100 176.871 0.229 25135 8021 1 10 . 1 1 20 20 GLU CA C 20 55.900 55.900 55.795 0.104 25135 8022 1 10 . 1 1 20 20 GLU CB C 20 30.600 30.600 29.854 0.746 25135 8023 1 10 . 1 1 20 20 GLU H H 20 7.190 7.190 7.539 -0.349 25135 8024 1 10 . 1 1 21 21 MET N N 21 120.500 120.500 119.562 0.938 25135 8025 1 10 . 1 1 21 21 MET HA H 21 4.260 4.260 4.276 -0.016 25135 8026 1 10 . 1 1 21 21 MET C C 21 177.800 177.800 176.314 1.486 25135 8027 1 10 . 1 1 21 21 MET CA C 21 56.400 56.400 55.816 0.584 25135 8028 1 10 . 1 1 21 21 MET CB C 21 33.300 33.300 32.673 0.627 25135 8029 1 10 . 1 1 21 21 MET H H 21 6.940 6.940 7.350 -0.410 25135 8030 1 10 . 1 1 22 22 LYS N N 22 120.500 120.500 123.063 -2.563 25135 8031 1 10 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.281 -0.331 25135 8032 1 10 . 1 1 22 22 LYS C C 22 175.400 175.400 175.659 -0.259 25135 8033 1 10 . 1 1 22 22 LYS CA C 22 57.000 57.000 56.729 0.271 25135 8034 1 10 . 1 1 22 22 LYS CB C 22 33.600 33.600 32.877 0.723 25135 8035 1 10 . 1 1 22 22 LYS H H 22 8.760 8.760 8.825 -0.065 25135 8036 1 10 . 1 1 23 23 TYR N N 23 115.500 115.500 117.409 -1.909 25135 8037 1 10 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.697 0.213 25135 8038 1 10 . 1 1 23 23 TYR C C 23 173.700 173.700 174.570 -0.870 25135 8039 1 10 . 1 1 23 23 TYR CA C 23 55.000 55.000 56.969 -1.969 25135 8040 1 10 . 1 1 23 23 TYR CB C 23 41.900 41.900 41.584 0.316 25135 8041 1 10 . 1 1 23 23 TYR H H 23 7.260 7.260 7.466 -0.206 25135 8042 1 10 . 1 1 24 24 CYS N N 24 113.600 113.600 114.486 -0.886 25135 8043 1 10 . 1 1 24 24 CYS HA H 24 3.700 3.700 3.997 -0.297 25135 8044 1 10 . 1 1 24 24 CYS C C 24 174.700 174.700 174.987 -0.287 25135 8045 1 10 . 1 1 24 24 CYS CA C 24 60.400 60.400 59.769 0.631 25135 8046 1 10 . 1 1 24 24 CYS CB C 24 26.100 26.100 27.148 -1.048 25135 8047 1 10 . 1 1 24 24 CYS H H 24 8.720 8.720 8.829 -0.109 25135 8048 1 10 . 1 1 25 25 LYS N N 25 115.800 115.800 119.475 -3.675 25135 8049 1 10 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.908 -0.328 25135 8050 1 10 . 1 1 25 25 LYS C C 25 179.800 179.800 178.794 1.006 25135 8051 1 10 . 1 1 25 25 LYS CA C 25 60.700 60.700 59.444 1.256 25135 8052 1 10 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.387 0.913 25135 8053 1 10 . 1 1 25 25 LYS H H 25 8.050 8.050 8.196 -0.146 25135 8054 1 10 . 1 1 26 26 LYS N N 26 121.000 121.000 119.040 1.960 25135 8055 1 10 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.922 0.068 25135 8056 1 10 . 1 1 26 26 LYS C C 26 181.300 181.300 179.458 1.842 25135 8057 1 10 . 1 1 26 26 LYS CA C 26 59.000 59.000 60.083 -1.083 25135 8058 1 10 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.606 -1.206 25135 8059 1 10 . 1 1 26 26 LYS H H 26 10.600 10.600 8.373 2.227 25135 8060 1 10 . 1 1 27 27 GLN N N 27 120.500 120.500 118.644 1.856 25135 8061 1 10 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.289 -0.319 25135 8062 1 10 . 1 1 27 27 GLN C C 27 180.200 180.200 178.230 1.970 25135 8063 1 10 . 1 1 27 27 GLN CA C 27 59.300 59.300 59.156 0.145 25135 8064 1 10 . 1 1 27 27 GLN CB C 27 32.100 32.100 29.087 3.014 25135 8065 1 10 . 1 1 27 27 GLN H H 27 9.890 9.890 7.748 2.142 25135 8066 1 10 . 1 1 28 28 CYS N N 28 118.800 118.800 119.110 -0.310 25135 8067 1 10 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.799 0.411 25135 8068 1 10 . 1 1 28 28 CYS C C 28 176.200 176.200 176.667 -0.467 25135 8069 1 10 . 1 1 28 28 CYS CA C 28 64.300 64.300 64.698 -0.397 25135 8070 1 10 . 1 1 28 28 CYS CB C 28 26.800 26.800 27.676 -0.876 25135 8071 1 10 . 1 1 28 28 CYS H H 28 8.550 8.550 8.748 -0.198 25135 8072 1 10 . 1 1 29 29 ARG N N 29 119.300 119.300 119.002 0.298 25135 8073 1 10 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.941 -0.071 25135 8074 1 10 . 1 1 29 29 ARG C C 29 178.900 178.900 178.415 0.485 25135 8075 1 10 . 1 1 29 29 ARG CA C 29 59.300 59.300 59.235 0.065 25135 8076 1 10 . 1 1 29 29 ARG CB C 29 29.200 29.200 29.174 0.026 25135 8077 1 10 . 1 1 29 29 ARG H H 29 8.700 8.700 8.640 0.060 25135 8078 1 10 . 1 1 30 30 ARG N N 30 119.700 119.700 119.708 -0.008 25135 8079 1 10 . 1 1 30 30 ARG HA H 30 3.890 3.890 4.038 -0.148 25135 8080 1 10 . 1 1 30 30 ARG C C 30 178.000 178.000 178.532 -0.532 25135 8081 1 10 . 1 1 30 30 ARG CA C 30 58.200 58.200 59.190 -0.990 25135 8082 1 10 . 1 1 30 30 ARG CB C 30 29.100 29.100 29.600 -0.500 25135 8083 1 10 . 1 1 30 30 ARG H H 30 7.810 7.810 7.473 0.337 25135 8084 1 10 . 1 1 31 31 LEU N N 31 120.600 120.600 120.462 0.138 25135 8085 1 10 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.495 0.545 25135 8086 1 10 . 1 1 31 31 LEU C C 31 178.400 178.400 178.156 0.244 25135 8087 1 10 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.908 0.391 25135 8088 1 10 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.322 -0.122 25135 8089 1 10 . 1 1 31 31 LEU H H 31 7.310 7.310 8.013 -0.703 25135 8090 1 10 . 1 1 32 32 GLY N N 32 105.200 105.200 105.442 -0.242 25135 8091 1 10 . 1 1 32 32 GLY C C 32 175.600 175.600 175.637 -0.037 25135 8092 1 10 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.168 1.232 25135 8093 1 10 . 1 1 32 32 GLY H H 32 7.960 7.960 7.978 -0.018 25135 8094 1 10 . 1 1 33 33 HIS N N 33 120.500 120.500 122.751 -2.251 25135 8095 1 10 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.236 -0.006 25135 8096 1 10 . 1 1 33 33 HIS C C 33 179.400 179.400 178.073 1.327 25135 8097 1 10 . 1 1 33 33 HIS CA C 33 59.600 59.600 60.179 -0.579 25135 8098 1 10 . 1 1 33 33 HIS CB C 33 30.600 30.600 29.979 0.621 25135 8099 1 10 . 1 1 33 33 HIS H H 33 8.340 8.340 8.552 -0.212 25135 8100 1 10 . 1 1 34 34 ARG N N 34 121.900 121.900 118.908 2.992 25135 8101 1 10 . 1 1 34 34 ARG HA H 34 3.870 3.870 4.231 -0.361 25135 8102 1 10 . 1 1 34 34 ARG C C 34 179.600 179.600 178.568 1.032 25135 8103 1 10 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.055 0.445 25135 8104 1 10 . 1 1 34 34 ARG CB C 34 30.100 30.100 30.120 -0.021 25135 8105 1 10 . 1 1 34 34 ARG H H 34 8.680 8.680 8.528 0.152 25135 8106 1 10 . 1 1 35 35 VAL N N 35 118.500 118.500 120.950 -2.450 25135 8107 1 10 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.400 0.010 25135 8108 1 10 . 1 1 35 35 VAL C C 35 177.600 177.600 178.383 -0.783 25135 8109 1 10 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.357 1.443 25135 8110 1 10 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.501 -0.201 25135 8111 1 10 . 1 1 35 35 VAL H H 35 8.500 8.500 7.999 0.501 25135 8112 1 10 . 1 1 36 36 LEU N N 36 118.300 118.300 119.856 -1.556 25135 8113 1 10 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.755 0.145 25135 8114 1 10 . 1 1 36 36 LEU C C 36 179.600 179.600 178.787 0.813 25135 8115 1 10 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.715 0.285 25135 8116 1 10 . 1 1 36 36 LEU CB C 36 41.400 41.400 41.052 0.348 25135 8117 1 10 . 1 1 36 36 LEU H H 36 7.890 7.890 8.774 -0.884 25135 8118 1 10 . 1 1 37 37 GLY N N 37 104.900 104.900 105.107 -0.207 25135 8119 1 10 . 1 1 37 37 GLY C C 37 175.700 175.700 175.315 0.385 25135 8120 1 10 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.873 -0.173 25135 8121 1 10 . 1 1 37 37 GLY H H 37 7.760 7.760 7.561 0.199 25135 8122 1 10 . 1 1 38 38 LEU N N 38 120.500 120.500 119.953 0.547 25135 8123 1 10 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.777 -0.187 25135 8124 1 10 . 1 1 38 38 LEU C C 38 176.900 176.900 178.110 -1.210 25135 8125 1 10 . 1 1 38 38 LEU CA C 38 56.500 56.500 56.131 0.369 25135 8126 1 10 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.295 -0.695 25135 8127 1 10 . 1 1 38 38 LEU H H 38 7.720 7.720 7.534 0.186 25135 8128 1 10 . 1 1 39 39 ILE N N 39 108.700 108.700 116.536 -7.836 25135 8129 1 10 . 1 1 39 39 ILE HA H 39 4.190 4.190 3.978 0.212 25135 8130 1 10 . 1 1 39 39 ILE C C 39 178.100 178.100 177.111 0.989 25135 8131 1 10 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.535 -0.835 25135 8132 1 10 . 1 1 39 39 ILE CB C 39 38.500 38.500 37.870 0.630 25135 8133 1 10 . 1 1 39 39 ILE H H 39 7.540 7.540 7.597 -0.057 25135 8134 1 10 . 1 1 40 40 LYS N N 40 122.800 122.800 121.882 0.918 25135 8135 1 10 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.115 0.315 25135 8136 1 10 . 1 1 40 40 LYS CA C 40 60.700 60.700 60.142 0.557 25135 8137 1 10 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.401 -0.001 25135 8138 1 10 . 1 1 40 40 LYS H H 40 7.600 7.600 8.555 -0.955 25135 8139 1 10 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.354 0.076 25135 8140 1 10 . 1 1 41 41 PRO C C 41 178.700 178.700 178.786 -0.086 25135 8141 1 10 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.520 -0.020 25135 8142 1 10 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.468 0.132 25135 8143 1 10 . 1 1 42 42 LEU N N 42 114.400 114.400 118.682 -4.282 25135 8144 1 10 . 1 1 42 42 LEU HA H 42 4.060 4.060 3.993 0.067 25135 8145 1 10 . 1 1 42 42 LEU C C 42 178.800 178.800 179.103 -0.303 25135 8146 1 10 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.658 -0.558 25135 8147 1 10 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.030 -0.730 25135 8148 1 10 . 1 1 42 42 LEU H H 42 7.200 7.200 7.603 -0.403 25135 8149 1 10 . 1 1 43 43 GLU N N 43 119.200 119.200 118.677 0.523 25135 8150 1 10 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.945 -0.025 25135 8151 1 10 . 1 1 43 43 GLU C C 43 179.100 179.100 178.856 0.244 25135 8152 1 10 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.624 -0.124 25135 8153 1 10 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.334 0.766 25135 8154 1 10 . 1 1 43 43 GLU H H 43 8.120 8.120 8.121 -0.001 25135 8155 1 10 . 1 1 44 44 MET N N 44 116.500 116.500 115.620 0.880 25135 8156 1 10 . 1 1 44 44 MET HA H 44 4.310 4.310 4.291 0.019 25135 8157 1 10 . 1 1 44 44 MET C C 44 177.900 177.900 177.465 0.435 25135 8158 1 10 . 1 1 44 44 MET CA C 44 57.600 57.600 57.726 -0.126 25135 8159 1 10 . 1 1 44 44 MET CB C 44 32.500 32.500 32.797 -0.297 25135 8160 1 10 . 1 1 44 44 MET H H 44 7.600 7.600 7.526 0.074 25135 8161 1 10 . 1 1 45 45 LEU N N 45 119.900 119.900 118.756 1.144 25135 8162 1 10 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.329 -0.179 25135 8163 1 10 . 1 1 45 45 LEU C C 45 178.000 178.000 178.671 -0.671 25135 8164 1 10 . 1 1 45 45 LEU CA C 45 56.600 56.600 57.794 -1.194 25135 8165 1 10 . 1 1 45 45 LEU CB C 45 42.000 42.000 43.083 -1.083 25135 8166 1 10 . 1 1 45 45 LEU H H 45 7.620 7.620 7.855 -0.235 25135 8167 1 10 . 1 1 46 46 GLN N N 46 118.300 118.300 117.871 0.429 25135 8168 1 10 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.143 -0.123 25135 8169 1 10 . 1 1 46 46 GLN C C 46 176.500 176.500 178.106 -1.606 25135 8170 1 10 . 1 1 46 46 GLN CA C 46 57.700 57.700 58.101 -0.401 25135 8171 1 10 . 1 1 46 46 GLN CB C 46 29.500 29.500 27.962 1.538 25135 8172 1 10 . 1 1 46 46 GLN H H 46 7.950 7.950 8.661 -0.711 25135 8173 1 10 . 1 1 47 47 ASP N N 47 119.000 119.000 119.870 -0.870 25135 8174 1 10 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.369 0.201 25135 8175 1 10 . 1 1 47 47 ASP C C 47 176.900 176.900 178.551 -1.651 25135 8176 1 10 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.574 -1.274 25135 8177 1 10 . 1 1 47 47 ASP CB C 47 41.300 41.300 40.849 0.451 25135 8178 1 10 . 1 1 47 47 ASP H H 47 7.890 7.890 7.664 0.226 25135 8179 1 10 . 1 1 48 48 GLN N N 48 119.500 119.500 117.063 2.437 25135 8180 1 10 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.098 0.132 25135 8181 1 10 . 1 1 48 48 GLN C C 48 177.200 177.200 177.037 0.163 25135 8182 1 10 . 1 1 48 48 GLN CA C 48 56.700 56.700 57.333 -0.633 25135 8183 1 10 . 1 1 48 48 GLN CB C 48 29.300 29.300 29.305 -0.005 25135 8184 1 10 . 1 1 48 48 GLN H H 48 8.080 8.080 7.769 0.310 25135 8185 1 10 . 1 1 49 49 GLY N N 49 108.100 108.100 105.480 2.620 25135 8186 1 10 . 1 1 49 49 GLY C C 49 174.300 174.300 173.984 0.316 25135 8187 1 10 . 1 1 49 49 GLY CA C 49 46.000 46.000 44.753 1.247 25135 8188 1 10 . 1 1 49 49 GLY H H 49 8.270 8.270 7.683 0.587 25135 8189 1 10 . 1 1 50 50 LYS N N 50 120.200 120.200 120.282 -0.082 25135 8190 1 10 . 1 1 50 50 LYS HA H 50 4.320 4.320 4.255 0.065 25135 8191 1 10 . 1 1 50 50 LYS C C 50 176.400 176.400 176.653 -0.253 25135 8192 1 10 . 1 1 50 50 LYS CA C 50 56.500 56.500 55.715 0.785 25135 8193 1 10 . 1 1 50 50 LYS CB C 50 32.900 32.900 33.486 -0.586 25135 8194 1 10 . 1 1 50 50 LYS H H 50 8.130 8.130 7.592 0.538 25135 8195 1 10 . 1 1 51 51 ARG N N 51 121.300 121.300 122.356 -1.056 25135 8196 1 10 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.206 0.254 25135 8197 1 10 . 1 1 51 51 ARG C C 51 176.100 176.100 175.268 0.832 25135 8198 1 10 . 1 1 51 51 ARG CA C 51 56.000 56.000 57.326 -1.326 25135 8199 1 10 . 1 1 51 51 ARG CB C 51 31.200 31.200 30.419 0.781 25135 8200 1 10 . 1 1 51 51 ARG H H 51 8.260 8.260 8.540 -0.280 25135 8201 1 10 . 1 1 52 52 SER N N 52 116.900 116.900 115.298 1.602 25135 8202 1 10 . 1 1 52 52 SER HA H 52 4.550 4.550 4.619 -0.069 25135 8203 1 10 . 1 1 52 52 SER C C 52 173.900 173.900 173.174 0.726 25135 8204 1 10 . 1 1 52 52 SER CA C 52 57.800 57.800 57.064 0.736 25135 8205 1 10 . 1 1 52 52 SER CB C 52 64.300 64.300 64.537 -0.236 25135 8206 1 10 . 1 1 52 52 SER H H 52 8.150 8.150 8.194 -0.044 25135 8207 1 10 . 1 1 53 53 VAL N N 53 124.300 124.300 125.612 -1.312 25135 8208 1 10 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.350 -0.060 25135 8209 1 10 . 1 1 53 53 VAL CA C 53 60.400 60.400 58.610 1.790 25135 8210 1 10 . 1 1 53 53 VAL CB C 53 32.500 32.500 32.998 -0.498 25135 8211 1 10 . 1 1 53 53 VAL H H 53 8.420 8.420 8.425 -0.005 25135 8212 1 10 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.651 -0.161 25135 8213 1 10 . 1 1 54 54 PRO C C 54 176.600 176.600 175.941 0.659 25135 8214 1 10 . 1 1 54 54 PRO CA C 54 62.500 62.500 62.697 -0.197 25135 8215 1 10 . 1 1 54 54 PRO CB C 54 32.600 32.600 32.349 0.251 25135 8216 1 10 . 1 1 55 55 SER N N 55 119.500 119.500 120.414 -0.914 25135 8217 1 10 . 1 1 55 55 SER HA H 55 4.370 4.370 4.703 -0.333 25135 8218 1 10 . 1 1 55 55 SER C C 55 175.500 175.500 175.165 0.335 25135 8219 1 10 . 1 1 55 55 SER CA C 55 58.200 58.200 55.991 2.209 25135 8220 1 10 . 1 1 55 55 SER CB C 55 64.200 64.200 65.724 -1.524 25135 8221 1 10 . 1 1 55 55 SER H H 55 8.970 8.970 8.094 0.876 25135 8222 1 10 . 1 1 56 56 GLU N N 56 123.000 123.000 123.586 -0.586 25135 8223 1 10 . 1 1 56 56 GLU HA H 56 4.140 4.140 4.023 0.117 25135 8224 1 10 . 1 1 56 56 GLU C C 56 179.300 179.300 177.952 1.348 25135 8225 1 10 . 1 1 56 56 GLU CA C 56 59.700 59.700 60.019 -0.319 25135 8226 1 10 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.570 -0.369 25135 8227 1 10 . 1 1 56 56 GLU H H 56 9.030 9.030 9.033 -0.003 25135 8228 1 10 . 1 1 57 57 LYS N N 57 118.900 118.900 117.726 1.174 25135 8229 1 10 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.128 -0.128 25135 8230 1 10 . 1 1 57 57 LYS C C 57 179.400 179.400 178.303 1.097 25135 8231 1 10 . 1 1 57 57 LYS CA C 57 59.600 59.600 59.062 0.537 25135 8232 1 10 . 1 1 57 57 LYS CB C 57 32.700 32.700 31.666 1.034 25135 8233 1 10 . 1 1 57 57 LYS H H 57 8.150 8.150 8.571 -0.421 25135 8234 1 10 . 1 1 58 58 LEU N N 58 122.800 122.800 121.581 1.219 25135 8235 1 10 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.109 -0.009 25135 8236 1 10 . 1 1 58 58 LEU C C 58 178.200 178.200 178.721 -0.521 25135 8237 1 10 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.101 0.199 25135 8238 1 10 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.326 -0.826 25135 8239 1 10 . 1 1 58 58 LEU H H 58 8.420 8.420 7.927 0.493 25135 8240 1 10 . 1 1 59 59 THR N N 59 117.800 117.800 113.065 4.735 25135 8241 1 10 . 1 1 59 59 THR HA H 59 3.730 3.730 4.075 -0.345 25135 8242 1 10 . 1 1 59 59 THR C C 59 176.800 176.800 176.545 0.255 25135 8243 1 10 . 1 1 59 59 THR CA C 59 67.500 67.500 66.793 0.707 25135 8244 1 10 . 1 1 59 59 THR CB C 59 68.400 68.400 68.424 -0.024 25135 8245 1 10 . 1 1 59 59 THR H H 59 8.600 8.600 8.431 0.169 25135 8246 1 10 . 1 1 60 60 THR N N 60 118.300 118.300 117.673 0.627 25135 8247 1 10 . 1 1 60 60 THR HA H 60 3.980 3.980 4.030 -0.050 25135 8248 1 10 . 1 1 60 60 THR C C 60 176.400 176.400 175.846 0.554 25135 8249 1 10 . 1 1 60 60 THR CA C 60 66.900 66.900 66.907 -0.007 25135 8250 1 10 . 1 1 60 60 THR CB C 60 68.400 68.400 68.590 -0.190 25135 8251 1 10 . 1 1 60 60 THR H H 60 8.390 8.390 7.527 0.864 25135 8252 1 10 . 1 1 61 61 ALA N N 61 124.900 124.900 124.424 0.476 25135 8253 1 10 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.186 -0.066 25135 8254 1 10 . 1 1 61 61 ALA C C 61 180.000 180.000 179.630 0.370 25135 8255 1 10 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.328 0.472 25135 8256 1 10 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.227 0.573 25135 8257 1 10 . 1 1 61 61 ALA H H 61 8.090 8.090 7.804 0.286 25135 8258 1 10 . 1 1 62 62 MET N N 62 118.300 118.300 117.648 0.652 25135 8259 1 10 . 1 1 62 62 MET HA H 62 4.110 4.110 4.229 -0.119 25135 8260 1 10 . 1 1 62 62 MET C C 62 178.300 178.300 178.701 -0.401 25135 8261 1 10 . 1 1 62 62 MET CA C 62 59.600 59.600 59.753 -0.153 25135 8262 1 10 . 1 1 62 62 MET CB C 62 32.500 32.500 32.234 0.266 25135 8263 1 10 . 1 1 62 62 MET H H 62 8.820 8.820 8.663 0.157 25135 8264 1 10 . 1 1 63 63 ASN N N 63 119.500 119.500 118.505 0.995 25135 8265 1 10 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.500 0.080 25135 8266 1 10 . 1 1 63 63 ASN C C 63 179.000 179.000 177.879 1.121 25135 8267 1 10 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.731 -0.431 25135 8268 1 10 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.317 -0.617 25135 8269 1 10 . 1 1 63 63 ASN H H 63 8.320 8.320 8.775 -0.455 25135 8270 1 10 . 1 1 64 64 ARG N N 64 122.500 122.500 120.468 2.032 25135 8271 1 10 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.161 0.029 25135 8272 1 10 . 1 1 64 64 ARG C C 64 179.300 179.300 178.909 0.391 25135 8273 1 10 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.350 0.350 25135 8274 1 10 . 1 1 64 64 ARG CB C 64 30.700 30.700 30.019 0.681 25135 8275 1 10 . 1 1 64 64 ARG H H 64 8.560 8.560 8.078 0.482 25135 8276 1 10 . 1 1 65 65 PHE N N 65 123.100 123.100 122.256 0.844 25135 8277 1 10 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.270 0.200 25135 8278 1 10 . 1 1 65 65 PHE C C 65 176.400 176.400 176.983 -0.583 25135 8279 1 10 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.654 0.946 25135 8280 1 10 . 1 1 65 65 PHE CB C 65 39.400 39.400 38.927 0.473 25135 8281 1 10 . 1 1 65 65 PHE H H 65 8.560 8.560 8.806 -0.246 25135 8282 1 10 . 1 1 66 66 LYS N N 66 119.800 119.800 119.468 0.332 25135 8283 1 10 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.795 -0.175 25135 8284 1 10 . 1 1 66 66 LYS C C 66 177.600 177.600 178.789 -1.189 25135 8285 1 10 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.586 1.114 25135 8286 1 10 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.291 0.209 25135 8287 1 10 . 1 1 66 66 LYS H H 66 8.610 8.610 8.876 -0.266 25135 8288 1 10 . 1 1 67 67 ALA N N 67 119.000 119.000 122.263 -3.263 25135 8289 1 10 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.038 0.192 25135 8290 1 10 . 1 1 67 67 ALA C C 67 180.400 180.400 179.168 1.232 25135 8291 1 10 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.852 0.148 25135 8292 1 10 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.619 -0.619 25135 8293 1 10 . 1 1 67 67 ALA H H 67 8.000 8.000 8.209 -0.209 25135 8294 1 10 . 1 1 68 68 ALA N N 68 122.200 122.200 121.443 0.757 25135 8295 1 10 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.045 0.145 25135 8296 1 10 . 1 1 68 68 ALA C C 68 179.800 179.800 179.661 0.139 25135 8297 1 10 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.779 0.421 25135 8298 1 10 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.539 -0.739 25135 8299 1 10 . 1 1 68 68 ALA H H 68 7.950 7.950 8.610 -0.660 25135 8300 1 10 . 1 1 69 69 LEU N N 69 118.900 118.900 119.618 -0.718 25135 8301 1 10 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.841 0.009 25135 8302 1 10 . 1 1 69 69 LEU C C 69 179.200 179.200 178.913 0.287 25135 8303 1 10 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.237 -0.737 25135 8304 1 10 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.579 -0.179 25135 8305 1 10 . 1 1 69 69 LEU H H 69 8.020 8.020 8.150 -0.130 25135 8306 1 10 . 1 1 70 70 GLU N N 70 120.500 120.500 118.615 1.885 25135 8307 1 10 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.823 0.117 25135 8308 1 10 . 1 1 70 70 GLU C C 70 180.500 180.500 179.291 1.209 25135 8309 1 10 . 1 1 70 70 GLU CA C 70 59.900 59.900 59.845 0.055 25135 8310 1 10 . 1 1 70 70 GLU CB C 70 29.200 29.200 29.133 0.067 25135 8311 1 10 . 1 1 70 70 GLU H H 70 8.590 8.590 7.731 0.859 25135 8312 1 10 . 1 1 71 71 GLU N N 71 122.200 122.200 119.321 2.879 25135 8313 1 10 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.078 -0.008 25135 8314 1 10 . 1 1 71 71 GLU C C 71 179.600 179.600 178.549 1.051 25135 8315 1 10 . 1 1 71 71 GLU CA C 71 59.400 59.400 59.532 -0.132 25135 8316 1 10 . 1 1 71 71 GLU CB C 71 29.400 29.400 29.005 0.395 25135 8317 1 10 . 1 1 71 71 GLU H H 71 8.300 8.300 7.698 0.602 25135 8318 1 10 . 1 1 72 72 ALA N N 72 122.800 122.800 121.941 0.859 25135 8319 1 10 . 1 1 72 72 ALA HA H 72 3.890 3.890 4.035 -0.145 25135 8320 1 10 . 1 1 72 72 ALA C C 72 178.500 178.500 179.983 -1.483 25135 8321 1 10 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.283 0.417 25135 8322 1 10 . 1 1 72 72 ALA CB C 72 17.200 17.200 17.932 -0.732 25135 8323 1 10 . 1 1 72 72 ALA H H 72 8.330 8.330 7.599 0.731 25135 8324 1 10 . 1 1 73 73 ASN N N 73 115.700 115.700 116.867 -1.167 25135 8325 1 10 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.372 0.078 25135 8326 1 10 . 1 1 73 73 ASN C C 73 177.600 177.600 177.913 -0.313 25135 8327 1 10 . 1 1 73 73 ASN CA C 73 56.300 56.300 55.702 0.598 25135 8328 1 10 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.291 0.609 25135 8329 1 10 . 1 1 73 73 ASN H H 73 8.460 8.460 8.645 -0.185 25135 8330 1 10 . 1 1 74 74 GLY N N 74 105.500 105.500 107.842 -2.342 25135 8331 1 10 . 1 1 74 74 GLY C C 74 177.100 177.100 175.777 1.323 25135 8332 1 10 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.769 0.231 25135 8333 1 10 . 1 1 74 74 GLY H H 74 8.070 8.070 8.352 -0.282 25135 8334 1 10 . 1 1 75 75 GLU N N 75 123.500 123.500 122.754 0.746 25135 8335 1 10 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.841 0.269 25135 8336 1 10 . 1 1 75 75 GLU C C 75 178.500 178.500 179.104 -0.604 25135 8337 1 10 . 1 1 75 75 GLU CA C 75 58.700 58.700 58.898 -0.198 25135 8338 1 10 . 1 1 75 75 GLU CB C 75 29.900 29.900 28.986 0.914 25135 8339 1 10 . 1 1 75 75 GLU H H 75 8.110 8.110 8.559 -0.449 25135 8340 1 10 . 1 1 76 76 ILE N N 76 120.300 120.300 118.725 1.575 25135 8341 1 10 . 1 1 76 76 ILE HA H 76 3.820 3.820 4.000 -0.180 25135 8342 1 10 . 1 1 76 76 ILE C C 76 178.300 178.300 176.883 1.417 25135 8343 1 10 . 1 1 76 76 ILE CA C 76 65.500 65.500 65.050 0.450 25135 8344 1 10 . 1 1 76 76 ILE CB C 76 37.900 37.900 38.079 -0.179 25135 8345 1 10 . 1 1 76 76 ILE H H 76 8.330 8.330 8.304 0.026 25135 8346 1 10 . 1 1 77 77 GLU N N 77 119.400 119.400 118.577 0.823 25135 8347 1 10 . 1 1 77 77 GLU HA H 77 3.920 3.920 4.005 -0.085 25135 8348 1 10 . 1 1 77 77 GLU C C 77 180.200 180.200 179.104 1.096 25135 8349 1 10 . 1 1 77 77 GLU CA C 77 59.700 59.700 58.743 0.957 25135 8350 1 10 . 1 1 77 77 GLU CB C 77 29.300 29.300 29.907 -0.607 25135 8351 1 10 . 1 1 77 77 GLU H H 77 7.860 7.860 7.682 0.178 25135 8352 1 10 . 1 1 78 78 LYS N N 78 121.600 121.600 119.839 1.761 25135 8353 1 10 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.054 -0.154 25135 8354 1 10 . 1 1 78 78 LYS C C 78 179.200 179.200 178.250 0.950 25135 8355 1 10 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.534 1.366 25135 8356 1 10 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.312 -0.012 25135 8357 1 10 . 1 1 78 78 LYS H H 78 7.760 7.760 8.420 -0.660 25135 8358 1 10 . 1 1 79 79 PHE N N 79 115.900 115.900 116.523 -0.623 25135 8359 1 10 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.629 0.051 25135 8360 1 10 . 1 1 79 79 PHE C C 79 174.100 174.100 176.087 -1.987 25135 8361 1 10 . 1 1 79 79 PHE CA C 79 58.200 58.200 57.089 1.111 25135 8362 1 10 . 1 1 79 79 PHE CB C 79 36.900 36.900 39.043 -2.143 25135 8363 1 10 . 1 1 79 79 PHE H H 79 8.170 8.170 7.481 0.689 25135 8364 1 10 . 1 1 80 80 SER N N 80 113.300 113.300 114.793 -1.493 25135 8365 1 10 . 1 1 80 80 SER HA H 80 4.500 4.500 4.193 0.307 25135 8366 1 10 . 1 1 80 80 SER C C 80 173.700 173.700 174.609 -0.909 25135 8367 1 10 . 1 1 80 80 SER CA C 80 60.500 60.500 60.324 0.176 25135 8368 1 10 . 1 1 80 80 SER CB C 80 63.400 63.400 63.529 -0.129 25135 8369 1 10 . 1 1 80 80 SER H H 80 7.700 7.700 7.391 0.309 25135 8370 1 10 . 1 1 81 81 ASN N N 81 119.500 119.500 119.300 0.200 25135 8371 1 10 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.640 0.330 25135 8372 1 10 . 1 1 81 81 ASN CA C 81 52.100 52.100 53.037 -0.937 25135 8373 1 10 . 1 1 81 81 ASN CB C 81 40.300 40.300 38.575 1.725 25135 8374 1 10 . 1 1 81 81 ASN H H 81 7.290 7.290 7.947 -0.657 25135 8375 1 10 . 1 1 82 82 ARG N N 82 127.400 127.400 127.578 -0.178 25135 8376 1 10 . 1 1 82 82 ARG HA H 82 3.590 3.590 2.906 0.684 25135 8377 1 10 . 1 1 82 82 ARG C C 82 177.700 177.700 177.766 -0.066 25135 8378 1 10 . 1 1 82 82 ARG CA C 82 59.800 59.800 58.848 0.952 25135 8379 1 10 . 1 1 82 82 ARG CB C 82 30.100 30.100 28.968 1.132 25135 8380 1 10 . 1 1 82 82 ARG H H 82 9.050 9.050 8.406 0.644 25135 8381 1 10 . 1 1 83 83 SER N N 83 114.600 114.600 113.686 0.914 25135 8382 1 10 . 1 1 83 83 SER HA H 83 3.930 3.930 4.131 -0.201 25135 8383 1 10 . 1 1 83 83 SER C C 83 177.100 177.100 176.263 0.837 25135 8384 1 10 . 1 1 83 83 SER CA C 83 62.200 62.200 61.792 0.408 25135 8385 1 10 . 1 1 83 83 SER CB C 83 62.000 62.000 62.761 -0.761 25135 8386 1 10 . 1 1 83 83 SER H H 83 8.390 8.390 8.316 0.074 25135 8387 1 10 . 1 1 84 84 ASN N N 84 119.700 119.700 120.653 -0.953 25135 8388 1 10 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.594 0.006 25135 8389 1 10 . 1 1 84 84 ASN C C 84 179.100 179.100 177.901 1.199 25135 8390 1 10 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.969 -0.569 25135 8391 1 10 . 1 1 84 84 ASN CB C 84 37.600 37.600 38.328 -0.729 25135 8392 1 10 . 1 1 84 84 ASN H H 84 7.980 7.980 8.046 -0.066 25135 8393 1 10 . 1 1 85 85 ILE N N 85 122.100 122.100 121.174 0.926 25135 8394 1 10 . 1 1 85 85 ILE HA H 85 3.820 3.820 4.011 -0.191 25135 8395 1 10 . 1 1 85 85 ILE C C 85 176.900 176.900 177.630 -0.730 25135 8396 1 10 . 1 1 85 85 ILE CA C 85 64.700 64.700 65.222 -0.522 25135 8397 1 10 . 1 1 85 85 ILE CB C 85 37.400 37.400 36.901 0.499 25135 8398 1 10 . 1 1 85 85 ILE H H 85 7.760 7.760 7.833 -0.073 25135 8399 1 10 . 1 1 86 86 CYS N N 86 119.200 119.200 117.281 1.919 25135 8400 1 10 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.492 0.448 25135 8401 1 10 . 1 1 86 86 CYS C C 86 177.400 177.400 177.097 0.303 25135 8402 1 10 . 1 1 86 86 CYS CA C 86 63.800 63.800 63.901 -0.101 25135 8403 1 10 . 1 1 86 86 CYS CB C 86 26.900 26.900 27.233 -0.333 25135 8404 1 10 . 1 1 86 86 CYS H H 86 8.330 8.330 7.954 0.376 25135 8405 1 10 . 1 1 87 87 ARG N N 87 119.200 119.200 119.674 -0.474 25135 8406 1 10 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.197 -0.177 25135 8407 1 10 . 1 1 87 87 ARG C C 87 178.500 178.500 177.796 0.704 25135 8408 1 10 . 1 1 87 87 ARG CA C 87 59.500 59.500 58.663 0.837 25135 8409 1 10 . 1 1 87 87 ARG CB C 87 30.300 30.300 29.352 0.948 25135 8410 1 10 . 1 1 87 87 ARG H H 87 7.900 7.900 7.884 0.016 25135 8411 1 10 . 1 1 88 88 PHE N N 88 120.300 120.300 121.590 -1.290 25135 8412 1 10 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.445 -0.225 25135 8413 1 10 . 1 1 88 88 PHE C C 88 177.200 177.200 176.368 0.832 25135 8414 1 10 . 1 1 88 88 PHE CA C 88 61.500 61.500 59.653 1.847 25135 8415 1 10 . 1 1 88 88 PHE CB C 88 39.800 39.800 39.356 0.444 25135 8416 1 10 . 1 1 88 88 PHE H H 88 7.760 7.760 7.974 -0.214 25135 8417 1 10 . 1 1 89 89 LEU N N 89 117.900 117.900 119.128 -1.228 25135 8418 1 10 . 1 1 89 89 LEU HA H 89 3.640 3.640 2.959 0.681 25135 8419 1 10 . 1 1 89 89 LEU C C 89 178.700 178.700 178.622 0.078 25135 8420 1 10 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.499 -0.099 25135 8421 1 10 . 1 1 89 89 LEU CB C 89 41.600 41.600 40.194 1.406 25135 8422 1 10 . 1 1 89 89 LEU H H 89 8.590 8.590 7.793 0.797 25135 8423 1 10 . 1 1 90 90 THR N N 90 112.000 112.000 112.113 -0.113 25135 8424 1 10 . 1 1 90 90 THR HA H 90 3.980 3.980 4.132 -0.152 25135 8425 1 10 . 1 1 90 90 THR C C 90 174.900 174.900 176.405 -1.505 25135 8426 1 10 . 1 1 90 90 THR CA C 90 65.200 65.200 65.141 0.059 25135 8427 1 10 . 1 1 90 90 THR CB C 90 69.300 69.300 69.243 0.057 25135 8428 1 10 . 1 1 90 90 THR H H 90 7.690 7.690 7.367 0.323 25135 8429 1 10 . 1 1 91 91 ALA N N 91 122.400 122.400 122.619 -0.219 25135 8430 1 10 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.270 -0.000 25135 8431 1 10 . 1 1 91 91 ALA C C 91 177.500 177.500 177.515 -0.015 25135 8432 1 10 . 1 1 91 91 ALA CA C 91 53.000 53.000 52.532 0.468 25135 8433 1 10 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.195 0.805 25135 8434 1 10 . 1 1 91 91 ALA H H 91 7.220 7.220 7.536 -0.316 25135 8435 1 10 . 1 1 92 92 SER N N 92 112.900 112.900 112.689 0.211 25135 8436 1 10 . 1 1 92 92 SER HA H 92 4.130 4.130 4.196 -0.066 25135 8437 1 10 . 1 1 92 92 SER CA C 92 57.600 57.600 58.391 -0.791 25135 8438 1 10 . 1 1 92 92 SER CB C 92 64.000 64.000 62.267 1.733 25135 8439 1 10 . 1 1 92 92 SER H H 92 7.510 7.510 8.069 -0.559 25135 8440 1 10 . 1 1 93 93 GLN N N 93 125.700 125.700 123.888 1.812 25135 8441 1 10 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.223 -0.023 25135 8442 1 10 . 1 1 93 93 GLN C C 93 176.700 176.700 176.516 0.184 25135 8443 1 10 . 1 1 93 93 GLN CA C 93 57.700 57.700 58.623 -0.923 25135 8444 1 10 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.421 -0.421 25135 8445 1 10 . 1 1 93 93 GLN H H 93 8.710 8.710 8.414 0.296 25135 8446 1 10 . 1 1 94 94 ASP N N 94 116.400 116.400 115.846 0.554 25135 8447 1 10 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.764 -0.204 25135 8448 1 10 . 1 1 94 94 ASP CA C 94 54.000 54.000 53.964 0.036 25135 8449 1 10 . 1 1 94 94 ASP CB C 94 41.700 41.700 41.305 0.395 25135 8450 1 10 . 1 1 94 94 ASP H H 94 7.800 7.800 8.606 -0.806 25135 8451 1 10 . 1 1 95 95 LYS N N 95 114.300 114.300 116.926 -2.626 25135 8452 1 10 . 1 1 95 95 LYS H H 95 8.290 8.290 8.745 -0.455 25135 8453 1 10 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.434 -0.114 25135 8454 1 10 . 1 1 96 96 ILE C C 96 177.000 177.000 176.659 0.341 25135 8455 1 10 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.934 0.865 25135 8456 1 10 . 1 1 96 96 ILE CB C 96 38.100 38.100 40.981 -2.881 25135 8457 1 10 . 1 1 97 97 LEU N N 97 131.100 131.100 127.743 3.357 25135 8458 1 10 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.739 -0.619 25135 8459 1 10 . 1 1 97 97 LEU C C 97 177.200 177.200 177.302 -0.102 25135 8460 1 10 . 1 1 97 97 LEU CA C 97 58.000 58.000 59.018 -1.018 25135 8461 1 10 . 1 1 97 97 LEU CB C 97 42.900 42.900 42.096 0.804 25135 8462 1 10 . 1 1 97 97 LEU H H 97 8.620 8.620 8.819 -0.199 25135 8463 1 10 . 1 1 98 98 PHE N N 98 113.600 113.600 112.520 1.080 25135 8464 1 10 . 1 1 98 98 PHE HA H 98 5.100 5.100 4.871 0.229 25135 8465 1 10 . 1 1 98 98 PHE C C 98 175.400 175.400 175.301 0.099 25135 8466 1 10 . 1 1 98 98 PHE CA C 98 55.700 55.700 54.728 0.972 25135 8467 1 10 . 1 1 98 98 PHE CB C 98 37.600 37.600 37.546 0.054 25135 8468 1 10 . 1 1 98 98 PHE H H 98 8.450 8.450 8.007 0.443 25135 8469 1 10 . 1 1 99 99 LYS N N 99 119.500 119.500 123.412 -3.912 25135 8470 1 10 . 1 1 99 99 LYS HA H 99 3.880 3.880 3.978 -0.098 25135 8471 1 10 . 1 1 99 99 LYS C C 99 178.900 178.900 177.672 1.228 25135 8472 1 10 . 1 1 99 99 LYS CA C 99 61.100 61.100 59.856 1.244 25135 8473 1 10 . 1 1 99 99 LYS CB C 99 33.500 33.500 32.748 0.752 25135 8474 1 10 . 1 1 99 99 LYS H H 99 6.790 6.790 7.318 -0.528 25135 8475 1 10 . 1 1 100 100 ASP N N 100 117.800 117.800 119.470 -1.670 25135 8476 1 10 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.395 0.215 25135 8477 1 10 . 1 1 100 100 ASP C C 100 179.000 179.000 178.381 0.619 25135 8478 1 10 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.406 0.394 25135 8479 1 10 . 1 1 100 100 ASP CB C 100 40.400 40.400 39.858 0.541 25135 8480 1 10 . 1 1 100 100 ASP H H 100 8.520 8.520 8.601 -0.081 25135 8481 1 10 . 1 1 101 101 VAL N N 101 122.600 122.600 119.765 2.835 25135 8482 1 10 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.786 0.074 25135 8483 1 10 . 1 1 101 101 VAL C C 101 177.100 177.100 177.952 -0.852 25135 8484 1 10 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.758 -1.058 25135 8485 1 10 . 1 1 101 101 VAL CB C 101 32.300 32.300 31.882 0.418 25135 8486 1 10 . 1 1 101 101 VAL H H 101 8.210 8.210 7.978 0.232 25135 8487 1 10 . 1 1 102 102 ASN N N 102 121.000 121.000 117.424 3.576 25135 8488 1 10 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.866 -0.306 25135 8489 1 10 . 1 1 102 102 ASN C C 102 178.500 178.500 177.933 0.567 25135 8490 1 10 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.271 -0.071 25135 8491 1 10 . 1 1 102 102 ASN CB C 102 37.900 37.900 37.943 -0.042 25135 8492 1 10 . 1 1 102 102 ASN H H 102 9.060 9.060 8.362 0.698 25135 8493 1 10 . 1 1 103 103 ARG N N 103 120.700 120.700 120.336 0.364 25135 8494 1 10 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.196 -0.036 25135 8495 1 10 . 1 1 103 103 ARG C C 103 177.900 177.900 178.285 -0.385 25135 8496 1 10 . 1 1 103 103 ARG CA C 103 59.100 59.100 59.525 -0.425 25135 8497 1 10 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.624 -0.724 25135 8498 1 10 . 1 1 103 103 ARG H H 103 7.640 7.640 8.211 -0.571 25135 8499 1 10 . 1 1 104 104 LYS N N 104 119.700 119.700 120.481 -0.781 25135 8500 1 10 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.178 0.012 25135 8501 1 10 . 1 1 104 104 LYS C C 104 179.300 179.300 179.002 0.298 25135 8502 1 10 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.504 0.596 25135 8503 1 10 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.467 0.033 25135 8504 1 10 . 1 1 104 104 LYS H H 104 7.960 7.960 8.327 -0.367 25135 8505 1 10 . 1 1 105 105 LEU N N 105 118.200 118.200 120.937 -2.737 25135 8506 1 10 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.119 -0.079 25135 8507 1 10 . 1 1 105 105 LEU C C 105 178.400 178.400 178.659 -0.259 25135 8508 1 10 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.389 0.112 25135 8509 1 10 . 1 1 105 105 LEU CB C 105 42.500 42.500 42.013 0.487 25135 8510 1 10 . 1 1 105 105 LEU H H 105 8.990 8.990 8.638 0.352 25135 8511 1 10 . 1 1 106 106 SER N N 106 111.700 111.700 114.822 -3.122 25135 8512 1 10 . 1 1 106 106 SER HA H 106 3.870 3.870 4.503 -0.633 25135 8513 1 10 . 1 1 106 106 SER C C 106 177.500 177.500 176.415 1.085 25135 8514 1 10 . 1 1 106 106 SER CA C 106 61.400 61.400 62.447 -1.047 25135 8515 1 10 . 1 1 106 106 SER CB C 106 62.600 62.600 62.679 -0.079 25135 8516 1 10 . 1 1 106 106 SER H H 106 7.980 7.980 7.855 0.125 25135 8517 1 10 . 1 1 107 107 ASP N N 107 122.000 122.000 121.911 0.089 25135 8518 1 10 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.468 -0.028 25135 8519 1 10 . 1 1 107 107 ASP C C 107 179.700 179.700 178.665 1.035 25135 8520 1 10 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.259 0.641 25135 8521 1 10 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.333 0.267 25135 8522 1 10 . 1 1 107 107 ASP H H 107 8.500 8.500 7.801 0.699 25135 8523 1 10 . 1 1 108 108 VAL N N 108 119.200 119.200 119.050 0.150 25135 8524 1 10 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.860 0.150 25135 8525 1 10 . 1 1 108 108 VAL C C 108 178.400 178.400 177.735 0.665 25135 8526 1 10 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.449 -0.849 25135 8527 1 10 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.299 0.201 25135 8528 1 10 . 1 1 108 108 VAL H H 108 8.830 8.830 8.199 0.631 25135 8529 1 10 . 1 1 109 109 TRP N N 109 121.900 121.900 121.573 0.327 25135 8530 1 10 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.948 0.322 25135 8531 1 10 . 1 1 109 109 TRP C C 109 178.000 178.000 178.060 -0.060 25135 8532 1 10 . 1 1 109 109 TRP CA C 109 60.100 60.100 59.645 0.455 25135 8533 1 10 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.532 0.168 25135 8534 1 10 . 1 1 109 109 TRP H H 109 8.710 8.710 7.773 0.937 25135 8535 1 10 . 1 1 110 110 LYS N N 110 119.500 119.500 119.531 -0.031 25135 8536 1 10 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.741 -0.111 25135 8537 1 10 . 1 1 110 110 LYS C C 110 178.000 178.000 179.013 -1.013 25135 8538 1 10 . 1 1 110 110 LYS CA C 110 60.500 60.500 59.724 0.776 25135 8539 1 10 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.176 0.024 25135 8540 1 10 . 1 1 110 110 LYS H H 110 8.010 8.010 7.554 0.456 25135 8541 1 10 . 1 1 111 111 GLU N N 111 116.700 116.700 119.293 -2.593 25135 8542 1 10 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.083 -0.073 25135 8543 1 10 . 1 1 111 111 GLU C C 111 178.400 178.400 179.147 -0.747 25135 8544 1 10 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.869 -0.069 25135 8545 1 10 . 1 1 111 111 GLU CB C 111 30.400 30.400 29.778 0.622 25135 8546 1 10 . 1 1 111 111 GLU H H 111 7.000 7.000 7.854 -0.854 25135 8547 1 10 . 1 1 112 112 LEU N N 112 119.000 119.000 121.050 -2.050 25135 8548 1 10 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.265 -0.525 25135 8549 1 10 . 1 1 112 112 LEU C C 112 177.600 177.600 177.630 -0.030 25135 8550 1 10 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.276 0.524 25135 8551 1 10 . 1 1 112 112 LEU CB C 112 42.200 42.200 42.252 -0.052 25135 8552 1 10 . 1 1 112 112 LEU H H 112 8.380 8.380 8.117 0.263 25135 8553 1 10 . 1 1 113 113 SER N N 113 113.100 113.100 116.019 -2.919 25135 8554 1 10 . 1 1 113 113 SER HA H 113 3.190 3.190 3.505 -0.315 25135 8555 1 10 . 1 1 113 113 SER C C 113 176.300 176.300 176.427 -0.127 25135 8556 1 10 . 1 1 113 113 SER CA C 113 61.600 61.600 61.452 0.148 25135 8557 1 10 . 1 1 113 113 SER CB C 113 61.800 61.800 61.858 -0.059 25135 8558 1 10 . 1 1 113 113 SER H H 113 8.490 8.490 8.041 0.449 25135 8559 1 10 . 1 1 114 114 LEU N N 114 121.500 121.500 120.881 0.619 25135 8560 1 10 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.034 -0.014 25135 8561 1 10 . 1 1 114 114 LEU C C 114 179.100 179.100 178.274 0.826 25135 8562 1 10 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.645 0.355 25135 8563 1 10 . 1 1 114 114 LEU CB C 114 41.800 41.800 41.157 0.643 25135 8564 1 10 . 1 1 114 114 LEU H H 114 6.810 6.810 7.361 -0.551 25135 8565 1 10 . 1 1 115 115 LEU N N 115 118.200 118.200 118.720 -0.520 25135 8566 1 10 . 1 1 115 115 LEU HA H 115 4.060 4.060 3.876 0.184 25135 8567 1 10 . 1 1 115 115 LEU C C 115 179.600 179.600 179.071 0.529 25135 8568 1 10 . 1 1 115 115 LEU CA C 115 57.700 57.700 57.494 0.206 25135 8569 1 10 . 1 1 115 115 LEU CB C 115 43.100 43.100 41.522 1.578 25135 8570 1 10 . 1 1 115 115 LEU H H 115 7.270 7.270 7.205 0.065 25135 8571 1 10 . 1 1 116 116 LEU N N 116 118.700 118.700 119.854 -1.154 25135 8572 1 10 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.863 -0.013 25135 8573 1 10 . 1 1 116 116 LEU C C 116 179.300 179.300 179.251 0.049 25135 8574 1 10 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.145 -0.545 25135 8575 1 10 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.657 -0.257 25135 8576 1 10 . 1 1 116 116 LEU H H 116 8.440 8.440 8.316 0.124 25135 8577 1 10 . 1 1 117 117 GLN N N 117 119.500 119.500 117.186 2.314 25135 8578 1 10 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.193 0.147 25135 8579 1 10 . 1 1 117 117 GLN C C 117 178.200 178.200 178.403 -0.203 25135 8580 1 10 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.858 -0.058 25135 8581 1 10 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.681 0.119 25135 8582 1 10 . 1 1 117 117 GLN H H 117 8.030 8.030 8.185 -0.155 25135 8583 1 10 . 1 1 118 118 VAL N N 118 117.600 117.600 118.854 -1.254 25135 8584 1 10 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.807 0.033 25135 8585 1 10 . 1 1 118 118 VAL C C 118 177.900 177.900 177.532 0.368 25135 8586 1 10 . 1 1 118 118 VAL CA C 118 65.400 65.400 64.927 0.473 25135 8587 1 10 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.843 1.056 25135 8588 1 10 . 1 1 118 118 VAL H H 118 8.110 8.110 7.413 0.697 25135 8589 1 10 . 1 1 119 119 GLU N N 119 116.900 116.900 119.070 -2.170 25135 8590 1 10 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.033 0.277 25135 8591 1 10 . 1 1 119 119 GLU C C 119 177.700 177.700 178.515 -0.815 25135 8592 1 10 . 1 1 119 119 GLU CA C 119 58.400 58.400 59.616 -1.216 25135 8593 1 10 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.669 1.031 25135 8594 1 10 . 1 1 119 119 GLU H H 119 8.620 8.620 8.385 0.235 25135 8595 1 10 . 1 1 120 120 GLN N N 120 113.300 113.300 116.543 -3.243 25135 8596 1 10 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.361 0.089 25135 8597 1 10 . 1 1 120 120 GLN C C 120 174.700 174.700 176.154 -1.454 25135 8598 1 10 . 1 1 120 120 GLN CA C 120 54.500 54.500 55.603 -1.103 25135 8599 1 10 . 1 1 120 120 GLN CB C 120 28.600 28.600 29.953 -1.353 25135 8600 1 10 . 1 1 120 120 GLN H H 120 7.350 7.350 8.084 -0.734 25135 8601 1 10 . 1 1 121 121 ARG N N 121 114.800 114.800 115.850 -1.050 25135 8602 1 10 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.164 -0.044 25135 8603 1 10 . 1 1 121 121 ARG C C 121 175.600 175.600 175.730 -0.130 25135 8604 1 10 . 1 1 121 121 ARG CA C 121 56.600 56.600 57.197 -0.597 25135 8605 1 10 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.410 0.290 25135 8606 1 10 . 1 1 121 121 ARG H H 121 7.410 7.410 7.715 -0.305 25135 8607 1 10 . 1 1 122 122 MET N N 122 120.300 120.300 118.012 2.288 25135 8608 1 10 . 1 1 122 122 MET HA H 122 4.600 4.600 4.778 -0.178 25135 8609 1 10 . 1 1 122 122 MET CA C 122 53.700 53.700 53.440 0.260 25135 8610 1 10 . 1 1 122 122 MET CB C 122 34.700 34.700 32.348 2.352 25135 8611 1 10 . 1 1 122 122 MET H H 122 7.760 7.760 7.453 0.307 25135 8612 1 10 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.397 0.083 25135 8613 1 10 . 1 1 123 123 PRO C C 123 176.300 176.300 175.745 0.555 25135 8614 1 10 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.290 -0.490 25135 8615 1 10 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.689 -0.389 25135 8616 1 10 . 1 1 124 124 VAL N N 124 120.000 120.000 122.118 -2.118 25135 8617 1 10 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.405 -0.325 25135 8618 1 10 . 1 1 124 124 VAL C C 124 175.800 175.800 175.293 0.507 25135 8619 1 10 . 1 1 124 124 VAL CA C 124 61.700 61.700 60.765 0.935 25135 8620 1 10 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.097 -0.997 25135 8621 1 10 . 1 1 124 124 VAL H H 124 8.080 8.080 8.210 -0.130 25135 8622 1 10 . 1 1 125 125 SER N N 125 121.200 121.200 119.286 1.914 25135 8623 1 10 . 1 1 125 125 SER HA H 125 4.800 4.800 4.886 -0.086 25135 8624 1 10 . 1 1 125 125 SER CA C 125 56.200 56.200 55.859 0.341 25135 8625 1 10 . 1 1 125 125 SER CB C 125 63.700 63.700 63.879 -0.179 25135 8626 1 10 . 1 1 125 125 SER H H 125 8.380 8.380 8.284 0.096 25135 8627 1 10 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.388 0.092 25135 8628 1 10 . 1 1 126 126 PRO C C 126 177.100 177.100 175.894 1.206 25135 8629 1 10 . 1 1 126 126 PRO CA C 126 63.400 63.400 63.463 -0.063 25135 8630 1 10 . 1 1 126 126 PRO CB C 126 31.900 31.900 29.846 2.054 25135 8631 1 10 . 1 1 127 127 ILE N N 127 119.900 119.900 120.439 -0.539 25135 8632 1 10 . 1 1 127 127 ILE HA H 127 4.140 4.140 4.119 0.021 25135 8633 1 10 . 1 1 127 127 ILE C C 127 176.300 176.300 176.091 0.209 25135 8634 1 10 . 1 1 127 127 ILE CA C 127 61.300 61.300 62.097 -0.797 25135 8635 1 10 . 1 1 127 127 ILE CB C 127 38.800 38.800 36.211 2.589 25135 8636 1 10 . 1 1 127 127 ILE H H 127 8.050 8.050 8.823 -0.773 25135 8637 1 10 . 1 1 128 128 SER N N 128 119.000 119.000 120.491 -1.491 25135 8638 1 10 . 1 1 128 128 SER HA H 128 4.400 4.400 4.373 0.027 25135 8639 1 10 . 1 1 128 128 SER C C 128 174.600 174.600 174.014 0.586 25135 8640 1 10 . 1 1 128 128 SER CA C 128 58.300 58.300 59.335 -1.035 25135 8641 1 10 . 1 1 128 128 SER CB C 128 63.600 63.600 61.685 1.915 25135 8642 1 10 . 1 1 128 128 SER H H 128 8.230 8.230 8.973 -0.743 25135 8643 1 10 . 1 1 129 129 GLN N N 129 122.600 122.600 118.699 3.901 25135 8644 1 10 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.610 -0.380 25135 8645 1 10 . 1 1 129 129 GLN C C 129 176.200 176.200 175.621 0.579 25135 8646 1 10 . 1 1 129 129 GLN CA C 129 56.300 56.300 54.855 1.445 25135 8647 1 10 . 1 1 129 129 GLN CB C 129 29.100 29.100 30.048 -0.948 25135 8648 1 10 . 1 1 129 129 GLN H H 129 8.340 8.340 8.592 -0.252 25135 8649 1 10 . 1 1 130 130 GLY N N 130 109.200 109.200 108.902 0.298 25135 8650 1 10 . 1 1 130 130 GLY C C 130 175.100 175.100 174.129 0.971 25135 8651 1 10 . 1 1 130 130 GLY CA C 130 45.200 45.200 45.637 -0.437 25135 8652 1 10 . 1 1 130 130 GLY H H 130 8.150 8.150 8.181 -0.031 25135 8653 1 10 . 1 1 131 131 ALA N N 131 124.700 124.700 124.146 0.554 25135 8654 1 10 . 1 1 131 131 ALA HA H 131 4.230 4.230 3.238 0.992 25135 8655 1 10 . 1 1 131 131 ALA C C 131 178.700 178.700 177.193 1.507 25135 8656 1 10 . 1 1 131 131 ALA CA C 131 53.800 53.800 51.830 1.970 25135 8657 1 10 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.285 0.615 25135 8658 1 10 . 1 1 131 131 ALA H H 131 8.070 8.070 8.547 -0.477 25135 8659 1 10 . 1 1 132 132 SER N N 132 113.200 113.200 114.940 -1.740 25135 8660 1 10 . 1 1 132 132 SER HA H 132 4.580 4.580 4.550 0.030 25135 8661 1 10 . 1 1 132 132 SER C C 132 175.700 175.700 175.523 0.177 25135 8662 1 10 . 1 1 132 132 SER CA C 132 58.500 58.500 58.332 0.168 25135 8663 1 10 . 1 1 132 132 SER CB C 132 63.800 63.800 62.515 1.285 25135 8664 1 10 . 1 1 132 132 SER H H 132 8.340 8.340 8.177 0.163 25135 8665 1 10 . 1 1 133 133 TRP N N 133 122.800 122.800 122.795 0.005 25135 8666 1 10 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.283 0.247 25135 8667 1 10 . 1 1 133 133 TRP C C 133 178.200 178.200 178.064 0.136 25135 8668 1 10 . 1 1 133 133 TRP CA C 133 58.900 58.900 59.838 -0.938 25135 8669 1 10 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.470 1.730 25135 8670 1 10 . 1 1 133 133 TRP H H 133 8.380 8.380 7.335 1.045 25135 8671 1 10 . 1 1 134 134 ALA N N 134 120.600 120.600 120.763 -0.163 25135 8672 1 10 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.840 0.410 25135 8673 1 10 . 1 1 134 134 ALA C C 134 180.700 180.700 179.704 0.996 25135 8674 1 10 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.538 0.162 25135 8675 1 10 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.622 0.378 25135 8676 1 10 . 1 1 134 134 ALA H H 134 8.420 8.420 8.566 -0.146 25135 8677 1 10 . 1 1 135 135 GLN N N 135 118.900 118.900 117.045 1.855 25135 8678 1 10 . 1 1 135 135 GLN HA H 135 4.100 4.100 4.014 0.086 25135 8679 1 10 . 1 1 135 135 GLN C C 135 179.200 179.200 178.815 0.385 25135 8680 1 10 . 1 1 135 135 GLN CA C 135 59.000 59.000 58.778 0.222 25135 8681 1 10 . 1 1 135 135 GLN CB C 135 28.500 28.500 27.853 0.647 25135 8682 1 10 . 1 1 135 135 GLN H H 135 7.860 7.860 7.936 -0.076 25135 8683 1 10 . 1 1 136 136 GLU N N 136 120.900 120.900 119.080 1.820 25135 8684 1 10 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.231 -0.411 25135 8685 1 10 . 1 1 136 136 GLU C C 136 177.800 177.800 178.940 -1.140 25135 8686 1 10 . 1 1 136 136 GLU CA C 136 59.000 59.000 58.967 0.033 25135 8687 1 10 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.642 0.358 25135 8688 1 10 . 1 1 136 136 GLU H H 136 7.720 7.720 7.959 -0.239 25135 8689 1 10 . 1 1 137 137 ASP N N 137 118.200 118.200 121.089 -2.889 25135 8690 1 10 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.445 0.015 25135 8691 1 10 . 1 1 137 137 ASP C C 137 178.100 178.100 178.534 -0.434 25135 8692 1 10 . 1 1 137 137 ASP CA C 137 57.200 57.200 57.550 -0.350 25135 8693 1 10 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.559 -0.459 25135 8694 1 10 . 1 1 137 137 ASP H H 137 8.800 8.800 8.660 0.140 25135 8695 1 10 . 1 1 138 138 GLN N N 138 116.900 116.900 118.421 -1.521 25135 8696 1 10 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.150 -0.270 25135 8697 1 10 . 1 1 138 138 GLN C C 138 178.400 178.400 178.310 0.090 25135 8698 1 10 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.404 0.496 25135 8699 1 10 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.262 0.438 25135 8700 1 10 . 1 1 138 138 GLN H H 138 7.510 7.510 8.050 -0.540 25135 8701 1 10 . 1 1 139 139 GLN N N 139 119.500 119.500 119.588 -0.088 25135 8702 1 10 . 1 1 139 139 GLN HA H 139 4.110 4.110 4.065 0.045 25135 8703 1 10 . 1 1 139 139 GLN C C 139 178.900 178.900 178.650 0.250 25135 8704 1 10 . 1 1 139 139 GLN CA C 139 58.900 58.900 59.150 -0.250 25135 8705 1 10 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.649 -0.049 25135 8706 1 10 . 1 1 139 139 GLN H H 139 7.520 7.520 7.652 -0.132 25135 8707 1 10 . 1 1 140 140 ASP N N 140 121.700 121.700 118.439 3.261 25135 8708 1 10 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.662 -0.642 25135 8709 1 10 . 1 1 140 140 ASP C C 140 177.700 177.700 177.839 -0.139 25135 8710 1 10 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.273 1.026 25135 8711 1 10 . 1 1 140 140 ASP CB C 140 40.700 40.700 40.878 -0.178 25135 8712 1 10 . 1 1 140 140 ASP H H 140 9.130 9.130 8.533 0.597 25135 8713 1 10 . 1 1 141 141 ALA N N 141 121.000 121.000 124.431 -3.431 25135 8714 1 10 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.120 0.130 25135 8715 1 10 . 1 1 141 141 ALA C C 141 180.800 180.800 178.976 1.824 25135 8716 1 10 . 1 1 141 141 ALA CA C 141 55.400 55.400 55.232 0.168 25135 8717 1 10 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.591 0.909 25135 8718 1 10 . 1 1 141 141 ALA H H 141 8.720 8.720 7.831 0.889 25135 8719 1 10 . 1 1 142 142 ASP N N 142 119.100 119.100 118.118 0.982 25135 8720 1 10 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.362 0.068 25135 8721 1 10 . 1 1 142 142 ASP C C 142 178.600 178.600 179.043 -0.443 25135 8722 1 10 . 1 1 142 142 ASP CA C 142 57.600 57.600 58.034 -0.434 25135 8723 1 10 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.702 0.598 25135 8724 1 10 . 1 1 142 142 ASP H H 142 7.850 7.850 8.661 -0.811 25135 8725 1 10 . 1 1 143 143 GLU N N 143 119.500 119.500 118.357 1.143 25135 8726 1 10 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.164 -0.134 25135 8727 1 10 . 1 1 143 143 GLU C C 143 180.100 180.100 178.613 1.487 25135 8728 1 10 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.686 1.014 25135 8729 1 10 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.844 -0.244 25135 8730 1 10 . 1 1 143 143 GLU H H 143 7.860 7.860 7.669 0.191 25135 8731 1 10 . 1 1 144 144 ASP N N 144 121.000 121.000 121.100 -0.100 25135 8732 1 10 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.382 0.268 25135 8733 1 10 . 1 1 144 144 ASP C C 144 179.500 179.500 178.330 1.170 25135 8734 1 10 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.480 0.020 25135 8735 1 10 . 1 1 144 144 ASP CB C 144 41.100 41.100 40.494 0.606 25135 8736 1 10 . 1 1 144 144 ASP H H 144 8.840 8.840 8.216 0.624 25135 8737 1 10 . 1 1 145 145 ARG N N 145 121.400 121.400 118.441 2.959 25135 8738 1 10 . 1 1 145 145 ARG HA H 145 4.130 4.130 4.241 -0.111 25135 8739 1 10 . 1 1 145 145 ARG C C 145 178.700 178.700 179.218 -0.518 25135 8740 1 10 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.224 0.276 25135 8741 1 10 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.850 -0.250 25135 8742 1 10 . 1 1 145 145 ARG H H 145 8.510 8.510 8.177 0.333 25135 8743 1 10 . 1 1 146 146 ARG N N 146 119.400 119.400 118.895 0.505 25135 8744 1 10 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.202 -0.092 25135 8745 1 10 . 1 1 146 146 ARG C C 146 178.400 178.400 177.873 0.527 25135 8746 1 10 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.725 0.675 25135 8747 1 10 . 1 1 146 146 ARG CB C 146 30.200 30.200 30.159 0.041 25135 8748 1 10 . 1 1 146 146 ARG H H 146 7.680 7.680 7.695 -0.015 25135 8749 1 10 . 1 1 147 147 ALA N N 147 120.300 120.300 123.717 -3.417 25135 8750 1 10 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.180 0.130 25135 8751 1 10 . 1 1 147 147 ALA C C 147 179.500 179.500 179.369 0.131 25135 8752 1 10 . 1 1 147 147 ALA CA C 147 54.100 54.100 54.907 -0.807 25135 8753 1 10 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.666 0.434 25135 8754 1 10 . 1 1 147 147 ALA H H 147 7.840 7.840 8.044 -0.204 25135 8755 1 10 . 1 1 148 148 PHE N N 148 119.900 119.900 117.463 2.437 25135 8756 1 10 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.255 0.135 25135 8757 1 10 . 1 1 148 148 PHE C C 148 176.900 176.900 177.442 -0.542 25135 8758 1 10 . 1 1 148 148 PHE CA C 148 60.500 60.500 59.158 1.341 25135 8759 1 10 . 1 1 148 148 PHE CB C 148 39.700 39.700 37.863 1.837 25135 8760 1 10 . 1 1 148 148 PHE H H 148 8.210 8.210 8.385 -0.175 25135 8761 1 10 . 1 1 149 149 GLN N N 149 118.500 118.500 119.223 -0.723 25135 8762 1 10 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.522 0.608 25135 8763 1 10 . 1 1 149 149 GLN C C 149 176.400 176.400 177.126 -0.726 25135 8764 1 10 . 1 1 149 149 GLN CA C 149 56.900 56.900 58.065 -1.165 25135 8765 1 10 . 1 1 149 149 GLN CB C 149 28.900 28.900 28.821 0.079 25135 8766 1 10 . 1 1 149 149 GLN H H 149 7.960 7.960 7.453 0.507 25135 8767 1 10 . 1 1 150 150 MET N N 150 118.000 118.000 114.082 3.918 25135 8768 1 10 . 1 1 150 150 MET HA H 150 4.360 4.360 4.515 -0.155 25135 8769 1 10 . 1 1 150 150 MET C C 150 176.300 176.300 175.930 0.370 25135 8770 1 10 . 1 1 150 150 MET CA C 150 56.000 56.000 55.727 0.273 25135 8771 1 10 . 1 1 150 150 MET CB C 150 32.800 32.800 35.057 -2.257 25135 8772 1 10 . 1 1 150 150 MET H H 150 7.760 7.760 7.519 0.241 25135 8773 1 10 . 1 1 151 151 LEU N N 151 121.200 121.200 120.808 0.392 25135 8774 1 10 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.505 -0.235 25135 8775 1 10 . 1 1 151 151 LEU C C 151 177.100 177.100 176.728 0.372 25135 8776 1 10 . 1 1 151 151 LEU CA C 151 55.400 55.400 54.084 1.316 25135 8777 1 10 . 1 1 151 151 LEU CB C 151 42.300 42.300 39.936 2.364 25135 8778 1 10 . 1 1 151 151 LEU H H 151 7.690 7.690 8.152 -0.462 25135 8779 1 10 . 1 1 152 152 ARG N N 152 121.800 121.800 122.573 -0.773 25135 8780 1 10 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.130 0.110 25135 8781 1 10 . 1 1 152 152 ARG C C 152 176.000 176.000 177.053 -1.053 25135 8782 1 10 . 1 1 152 152 ARG CA C 152 56.200 56.200 58.220 -2.020 25135 8783 1 10 . 1 1 152 152 ARG CB C 152 30.900 30.900 30.288 0.612 25135 8784 1 10 . 1 1 152 152 ARG H H 152 8.120 8.120 7.886 0.234 25135 8785 1 10 . 1 1 153 153 ARG N N 153 123.100 123.100 118.720 4.380 25135 8786 1 10 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.420 -0.060 25135 8787 1 10 . 1 1 153 153 ARG C C 153 174.900 174.900 174.981 -0.081 25135 8788 1 10 . 1 1 153 153 ARG CA C 153 56.000 56.000 55.557 0.443 25135 8789 1 10 . 1 1 153 153 ARG CB C 153 31.000 31.000 29.940 1.060 25135 8790 1 10 . 1 1 153 153 ARG H H 153 8.380 8.380 7.812 0.568 25135 8791 1 11 . 1 1 2 2 GLU N N 2 120.000 120.000 119.790 0.210 25135 8792 1 11 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.116 -0.136 25135 8793 1 11 . 1 1 2 2 GLU C C 2 178.400 178.400 178.030 0.370 25135 8794 1 11 . 1 1 2 2 GLU CA C 2 59.400 59.400 59.379 0.021 25135 8795 1 11 . 1 1 2 2 GLU CB C 2 29.200 29.200 29.035 0.165 25135 8796 1 11 . 1 1 2 2 GLU H H 2 8.140 8.140 8.958 -0.818 25135 8797 1 11 . 1 1 3 3 ASN N N 3 117.300 117.300 115.319 1.981 25135 8798 1 11 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.661 -0.021 25135 8799 1 11 . 1 1 3 3 ASN C C 3 177.900 177.900 176.507 1.393 25135 8800 1 11 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.708 1.092 25135 8801 1 11 . 1 1 3 3 ASN CB C 3 39.000 39.000 38.218 0.782 25135 8802 1 11 . 1 1 3 3 ASN H H 3 7.960 7.960 8.673 -0.713 25135 8803 1 11 . 1 1 4 4 LEU N N 4 119.700 119.700 122.327 -2.627 25135 8804 1 11 . 1 1 4 4 LEU HA H 4 4.030 4.030 3.992 0.038 25135 8805 1 11 . 1 1 4 4 LEU C C 4 177.900 177.900 178.395 -0.495 25135 8806 1 11 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.631 -0.231 25135 8807 1 11 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.765 0.235 25135 8808 1 11 . 1 1 4 4 LEU H H 4 8.450 8.450 8.118 0.332 25135 8809 1 11 . 1 1 5 5 LYS N N 5 118.200 118.200 115.474 2.726 25135 8810 1 11 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.069 -0.129 25135 8811 1 11 . 1 1 5 5 LYS C C 5 179.200 179.200 178.977 0.223 25135 8812 1 11 . 1 1 5 5 LYS CA C 5 60.000 60.000 58.178 1.822 25135 8813 1 11 . 1 1 5 5 LYS CB C 5 31.900 31.900 31.649 0.251 25135 8814 1 11 . 1 1 5 5 LYS H H 5 7.940 7.940 7.807 0.133 25135 8815 1 11 . 1 1 6 6 HIS N N 6 118.400 118.400 119.676 -1.276 25135 8816 1 11 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.486 -0.066 25135 8817 1 11 . 1 1 6 6 HIS C C 6 178.200 178.200 177.589 0.611 25135 8818 1 11 . 1 1 6 6 HIS CA C 6 59.100 59.100 59.277 -0.177 25135 8819 1 11 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.413 0.487 25135 8820 1 11 . 1 1 6 6 HIS H H 6 7.710 7.710 7.767 -0.057 25135 8821 1 11 . 1 1 7 7 ILE N N 7 120.300 120.300 121.283 -0.983 25135 8822 1 11 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.514 -0.074 25135 8823 1 11 . 1 1 7 7 ILE C C 7 176.500 176.500 177.296 -0.796 25135 8824 1 11 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.550 0.450 25135 8825 1 11 . 1 1 7 7 ILE CB C 7 38.700 38.700 38.052 0.648 25135 8826 1 11 . 1 1 7 7 ILE H H 7 7.950 7.950 8.327 -0.377 25135 8827 1 11 . 1 1 8 8 ILE N N 8 120.200 120.200 119.553 0.647 25135 8828 1 11 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.410 0.170 25135 8829 1 11 . 1 1 8 8 ILE C C 8 178.000 178.000 177.797 0.203 25135 8830 1 11 . 1 1 8 8 ILE CA C 8 65.800 65.800 66.040 -0.240 25135 8831 1 11 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.476 1.124 25135 8832 1 11 . 1 1 8 8 ILE H H 8 8.450 8.450 8.895 -0.445 25135 8833 1 11 . 1 1 9 9 THR N N 9 115.400 115.400 114.463 0.937 25135 8834 1 11 . 1 1 9 9 THR HA H 9 3.880 3.880 3.953 -0.073 25135 8835 1 11 . 1 1 9 9 THR C C 9 176.300 176.300 176.635 -0.335 25135 8836 1 11 . 1 1 9 9 THR CA C 9 66.900 66.900 66.149 0.751 25135 8837 1 11 . 1 1 9 9 THR CB C 9 68.800 68.800 68.708 0.092 25135 8838 1 11 . 1 1 9 9 THR H H 9 8.120 8.120 7.410 0.710 25135 8839 1 11 . 1 1 10 10 LEU N N 10 122.100 122.100 121.744 0.356 25135 8840 1 11 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.102 -0.052 25135 8841 1 11 . 1 1 10 10 LEU C C 10 178.800 178.800 178.349 0.451 25135 8842 1 11 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.791 1.109 25135 8843 1 11 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.197 1.103 25135 8844 1 11 . 1 1 10 10 LEU H H 10 7.950 7.950 7.469 0.481 25135 8845 1 11 . 1 1 11 11 GLY N N 11 105.800 105.800 105.100 0.700 25135 8846 1 11 . 1 1 11 11 GLY C C 11 174.700 174.700 176.231 -1.531 25135 8847 1 11 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.129 0.371 25135 8848 1 11 . 1 1 11 11 GLY H H 11 8.660 8.660 8.606 0.054 25135 8849 1 11 . 1 1 12 12 GLN N N 12 119.600 119.600 119.636 -0.036 25135 8850 1 11 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.319 -0.329 25135 8851 1 11 . 1 1 12 12 GLN C C 12 179.600 179.600 178.577 1.023 25135 8852 1 11 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.651 1.649 25135 8853 1 11 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.415 -0.515 25135 8854 1 11 . 1 1 12 12 GLN H H 12 8.050 8.050 7.391 0.659 25135 8855 1 11 . 1 1 13 13 VAL N N 13 122.600 122.600 121.915 0.685 25135 8856 1 11 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.685 -0.015 25135 8857 1 11 . 1 1 13 13 VAL C C 13 178.500 178.500 177.921 0.579 25135 8858 1 11 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.320 0.380 25135 8859 1 11 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.193 0.707 25135 8860 1 11 . 1 1 13 13 VAL H H 13 8.300 8.300 7.870 0.430 25135 8861 1 11 . 1 1 14 14 ILE N N 14 121.000 121.000 119.028 1.972 25135 8862 1 11 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.491 -0.021 25135 8863 1 11 . 1 1 14 14 ILE C C 14 177.700 177.700 177.519 0.181 25135 8864 1 11 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.403 0.397 25135 8865 1 11 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.628 0.772 25135 8866 1 11 . 1 1 14 14 ILE H H 14 8.480 8.480 8.709 -0.229 25135 8867 1 11 . 1 1 15 15 HIS N N 15 118.900 118.900 118.336 0.564 25135 8868 1 11 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.321 -0.421 25135 8869 1 11 . 1 1 15 15 HIS C C 15 176.200 176.200 176.853 -0.653 25135 8870 1 11 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.350 1.950 25135 8871 1 11 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.186 -0.186 25135 8872 1 11 . 1 1 15 15 HIS H H 15 8.250 8.250 7.632 0.618 25135 8873 1 11 . 1 1 16 16 LYS N N 16 118.500 118.500 120.532 -2.032 25135 8874 1 11 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.690 -0.020 25135 8875 1 11 . 1 1 16 16 LYS C C 16 179.200 179.200 178.913 0.287 25135 8876 1 11 . 1 1 16 16 LYS CA C 16 59.500 59.500 59.117 0.383 25135 8877 1 11 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.165 0.335 25135 8878 1 11 . 1 1 16 16 LYS H H 16 7.820 7.820 8.284 -0.464 25135 8879 1 11 . 1 1 17 17 ARG N N 17 117.600 117.600 119.004 -1.404 25135 8880 1 11 . 1 1 17 17 ARG HA H 17 3.960 3.960 4.309 -0.349 25135 8881 1 11 . 1 1 17 17 ARG C C 17 180.600 180.600 178.394 2.206 25135 8882 1 11 . 1 1 17 17 ARG CA C 17 59.200 59.200 58.924 0.276 25135 8883 1 11 . 1 1 17 17 ARG CB C 17 30.500 30.500 29.694 0.806 25135 8884 1 11 . 1 1 17 17 ARG H H 17 8.330 8.330 8.786 -0.456 25135 8885 1 11 . 1 1 18 18 CYS N N 18 118.100 118.100 118.136 -0.036 25135 8886 1 11 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.165 -0.275 25135 8887 1 11 . 1 1 18 18 CYS C C 18 177.300 177.300 177.374 -0.074 25135 8888 1 11 . 1 1 18 18 CYS CA C 18 65.900 65.900 63.208 2.692 25135 8889 1 11 . 1 1 18 18 CYS CB C 18 27.600 27.600 27.046 0.555 25135 8890 1 11 . 1 1 18 18 CYS H H 18 8.550 8.550 7.753 0.797 25135 8891 1 11 . 1 1 19 19 GLU N N 19 117.900 117.900 119.349 -1.449 25135 8892 1 11 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.021 -0.211 25135 8893 1 11 . 1 1 19 19 GLU C C 19 177.100 177.100 177.671 -0.571 25135 8894 1 11 . 1 1 19 19 GLU CA C 19 58.300 58.300 59.064 -0.764 25135 8895 1 11 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.159 0.841 25135 8896 1 11 . 1 1 19 19 GLU H H 19 7.540 7.540 8.166 -0.626 25135 8897 1 11 . 1 1 20 20 GLU N N 20 115.400 115.400 113.372 2.028 25135 8898 1 11 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.365 -0.145 25135 8899 1 11 . 1 1 20 20 GLU C C 20 177.100 177.100 177.034 0.066 25135 8900 1 11 . 1 1 20 20 GLU CA C 20 55.900 55.900 55.795 0.105 25135 8901 1 11 . 1 1 20 20 GLU CB C 20 30.600 30.600 29.873 0.727 25135 8902 1 11 . 1 1 20 20 GLU H H 20 7.190 7.190 7.512 -0.322 25135 8903 1 11 . 1 1 21 21 MET N N 21 120.500 120.500 121.138 -0.638 25135 8904 1 11 . 1 1 21 21 MET HA H 21 4.260 4.260 4.393 -0.133 25135 8905 1 11 . 1 1 21 21 MET C C 21 177.800 177.800 177.039 0.761 25135 8906 1 11 . 1 1 21 21 MET CA C 21 56.400 56.400 55.430 0.970 25135 8907 1 11 . 1 1 21 21 MET CB C 21 33.300 33.300 32.799 0.501 25135 8908 1 11 . 1 1 21 21 MET H H 21 6.940 6.940 7.716 -0.776 25135 8909 1 11 . 1 1 22 22 LYS N N 22 120.500 120.500 121.891 -1.391 25135 8910 1 11 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.374 -0.424 25135 8911 1 11 . 1 1 22 22 LYS C C 22 175.400 175.400 174.995 0.405 25135 8912 1 11 . 1 1 22 22 LYS CA C 22 57.000 57.000 56.353 0.647 25135 8913 1 11 . 1 1 22 22 LYS CB C 22 33.600 33.600 32.504 1.096 25135 8914 1 11 . 1 1 22 22 LYS H H 22 8.760 8.760 8.837 -0.077 25135 8915 1 11 . 1 1 23 23 TYR N N 23 115.500 115.500 117.880 -2.380 25135 8916 1 11 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.726 0.184 25135 8917 1 11 . 1 1 23 23 TYR C C 23 173.700 173.700 174.961 -1.261 25135 8918 1 11 . 1 1 23 23 TYR CA C 23 55.000 55.000 57.839 -2.839 25135 8919 1 11 . 1 1 23 23 TYR CB C 23 41.900 41.900 41.657 0.243 25135 8920 1 11 . 1 1 23 23 TYR H H 23 7.260 7.260 7.564 -0.304 25135 8921 1 11 . 1 1 24 24 CYS N N 24 113.600 113.600 118.084 -4.484 25135 8922 1 11 . 1 1 24 24 CYS HA H 24 3.700 3.700 4.145 -0.445 25135 8923 1 11 . 1 1 24 24 CYS C C 24 174.700 174.700 176.053 -1.353 25135 8924 1 11 . 1 1 24 24 CYS CA C 24 60.400 60.400 59.226 1.174 25135 8925 1 11 . 1 1 24 24 CYS CB C 24 26.100 26.100 26.229 -0.129 25135 8926 1 11 . 1 1 24 24 CYS H H 24 8.720 8.720 9.224 -0.504 25135 8927 1 11 . 1 1 25 25 LYS N N 25 115.800 115.800 119.587 -3.787 25135 8928 1 11 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.947 -0.367 25135 8929 1 11 . 1 1 25 25 LYS C C 25 179.800 179.800 178.419 1.381 25135 8930 1 11 . 1 1 25 25 LYS CA C 25 60.700 60.700 59.371 1.329 25135 8931 1 11 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.244 1.056 25135 8932 1 11 . 1 1 25 25 LYS H H 25 8.050 8.050 8.509 -0.459 25135 8933 1 11 . 1 1 26 26 LYS N N 26 121.000 121.000 119.692 1.308 25135 8934 1 11 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.927 0.063 25135 8935 1 11 . 1 1 26 26 LYS C C 26 181.300 181.300 179.241 2.059 25135 8936 1 11 . 1 1 26 26 LYS CA C 26 59.000 59.000 59.848 -0.848 25135 8937 1 11 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.800 -1.400 25135 8938 1 11 . 1 1 26 26 LYS H H 26 10.600 10.600 8.354 2.246 25135 8939 1 11 . 1 1 27 27 GLN N N 27 120.500 120.500 117.282 3.218 25135 8940 1 11 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.239 -0.269 25135 8941 1 11 . 1 1 27 27 GLN C C 27 180.200 180.200 178.537 1.663 25135 8942 1 11 . 1 1 27 27 GLN CA C 27 59.300 59.300 58.938 0.362 25135 8943 1 11 . 1 1 27 27 GLN CB C 27 32.100 32.100 28.846 3.254 25135 8944 1 11 . 1 1 27 27 GLN H H 27 9.890 9.890 8.345 1.545 25135 8945 1 11 . 1 1 28 28 CYS N N 28 118.800 118.800 120.323 -1.523 25135 8946 1 11 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.994 0.216 25135 8947 1 11 . 1 1 28 28 CYS C C 28 176.200 176.200 176.790 -0.590 25135 8948 1 11 . 1 1 28 28 CYS CA C 28 64.300 64.300 62.984 1.316 25135 8949 1 11 . 1 1 28 28 CYS CB C 28 26.800 26.800 27.706 -0.905 25135 8950 1 11 . 1 1 28 28 CYS H H 28 8.550 8.550 8.798 -0.248 25135 8951 1 11 . 1 1 29 29 ARG N N 29 119.300 119.300 119.731 -0.431 25135 8952 1 11 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.902 -0.032 25135 8953 1 11 . 1 1 29 29 ARG C C 29 178.900 178.900 178.194 0.706 25135 8954 1 11 . 1 1 29 29 ARG CA C 29 59.300 59.300 59.388 -0.088 25135 8955 1 11 . 1 1 29 29 ARG CB C 29 29.200 29.200 29.373 -0.173 25135 8956 1 11 . 1 1 29 29 ARG H H 29 8.700 8.700 8.712 -0.012 25135 8957 1 11 . 1 1 30 30 ARG N N 30 119.700 119.700 119.543 0.157 25135 8958 1 11 . 1 1 30 30 ARG HA H 30 3.890 3.890 4.076 -0.186 25135 8959 1 11 . 1 1 30 30 ARG C C 30 178.000 178.000 178.469 -0.469 25135 8960 1 11 . 1 1 30 30 ARG CA C 30 58.200 58.200 59.300 -1.100 25135 8961 1 11 . 1 1 30 30 ARG CB C 30 29.100 29.100 29.811 -0.711 25135 8962 1 11 . 1 1 30 30 ARG H H 30 7.810 7.810 7.276 0.534 25135 8963 1 11 . 1 1 31 31 LEU N N 31 120.600 120.600 121.311 -0.711 25135 8964 1 11 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.518 0.522 25135 8965 1 11 . 1 1 31 31 LEU C C 31 178.400 178.400 178.160 0.240 25135 8966 1 11 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.963 0.337 25135 8967 1 11 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.371 -0.171 25135 8968 1 11 . 1 1 31 31 LEU H H 31 7.310 7.310 8.397 -1.087 25135 8969 1 11 . 1 1 32 32 GLY N N 32 105.200 105.200 105.029 0.171 25135 8970 1 11 . 1 1 32 32 GLY C C 32 175.600 175.600 175.975 -0.375 25135 8971 1 11 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.383 1.017 25135 8972 1 11 . 1 1 32 32 GLY H H 32 7.960 7.960 7.893 0.067 25135 8973 1 11 . 1 1 33 33 HIS N N 33 120.500 120.500 122.536 -2.036 25135 8974 1 11 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.289 -0.059 25135 8975 1 11 . 1 1 33 33 HIS C C 33 179.400 179.400 177.838 1.562 25135 8976 1 11 . 1 1 33 33 HIS CA C 33 59.600 59.600 59.904 -0.304 25135 8977 1 11 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.233 0.367 25135 8978 1 11 . 1 1 33 33 HIS H H 33 8.340 8.340 7.682 0.658 25135 8979 1 11 . 1 1 34 34 ARG N N 34 121.900 121.900 119.755 2.145 25135 8980 1 11 . 1 1 34 34 ARG HA H 34 3.870 3.870 3.902 -0.032 25135 8981 1 11 . 1 1 34 34 ARG C C 34 179.600 179.600 178.729 0.871 25135 8982 1 11 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.688 -0.188 25135 8983 1 11 . 1 1 34 34 ARG CB C 34 30.100 30.100 29.618 0.482 25135 8984 1 11 . 1 1 34 34 ARG H H 34 8.680 8.680 8.706 -0.026 25135 8985 1 11 . 1 1 35 35 VAL N N 35 118.500 118.500 119.903 -1.403 25135 8986 1 11 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.441 -0.031 25135 8987 1 11 . 1 1 35 35 VAL C C 35 177.600 177.600 177.820 -0.220 25135 8988 1 11 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.299 1.501 25135 8989 1 11 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.511 -0.211 25135 8990 1 11 . 1 1 35 35 VAL H H 35 8.500 8.500 8.151 0.349 25135 8991 1 11 . 1 1 36 36 LEU N N 36 118.300 118.300 119.871 -1.571 25135 8992 1 11 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.702 0.198 25135 8993 1 11 . 1 1 36 36 LEU C C 36 179.600 179.600 179.205 0.395 25135 8994 1 11 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.617 0.383 25135 8995 1 11 . 1 1 36 36 LEU CB C 36 41.400 41.400 41.193 0.207 25135 8996 1 11 . 1 1 36 36 LEU H H 36 7.890 7.890 8.433 -0.543 25135 8997 1 11 . 1 1 37 37 GLY N N 37 104.900 104.900 104.838 0.062 25135 8998 1 11 . 1 1 37 37 GLY C C 37 175.700 175.700 175.201 0.499 25135 8999 1 11 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.742 -0.042 25135 9000 1 11 . 1 1 37 37 GLY H H 37 7.760 7.760 8.024 -0.264 25135 9001 1 11 . 1 1 38 38 LEU N N 38 120.500 120.500 119.062 1.438 25135 9002 1 11 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.522 0.068 25135 9003 1 11 . 1 1 38 38 LEU C C 38 176.900 176.900 177.916 -1.016 25135 9004 1 11 . 1 1 38 38 LEU CA C 38 56.500 56.500 55.863 0.637 25135 9005 1 11 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.207 -0.607 25135 9006 1 11 . 1 1 38 38 LEU H H 38 7.720 7.720 7.429 0.291 25135 9007 1 11 . 1 1 39 39 ILE N N 39 108.700 108.700 116.230 -7.530 25135 9008 1 11 . 1 1 39 39 ILE HA H 39 4.190 4.190 4.004 0.186 25135 9009 1 11 . 1 1 39 39 ILE C C 39 178.100 178.100 176.996 1.104 25135 9010 1 11 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.337 -0.637 25135 9011 1 11 . 1 1 39 39 ILE CB C 39 38.500 38.500 37.888 0.612 25135 9012 1 11 . 1 1 39 39 ILE H H 39 7.540 7.540 7.464 0.076 25135 9013 1 11 . 1 1 40 40 LYS N N 40 122.800 122.800 121.975 0.825 25135 9014 1 11 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.113 0.317 25135 9015 1 11 . 1 1 40 40 LYS CA C 40 60.700 60.700 59.869 0.831 25135 9016 1 11 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.413 -0.013 25135 9017 1 11 . 1 1 40 40 LYS H H 40 7.600 7.600 8.153 -0.553 25135 9018 1 11 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.347 0.083 25135 9019 1 11 . 1 1 41 41 PRO C C 41 178.700 178.700 179.277 -0.577 25135 9020 1 11 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.471 0.029 25135 9021 1 11 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.379 0.221 25135 9022 1 11 . 1 1 42 42 LEU N N 42 114.400 114.400 119.257 -4.857 25135 9023 1 11 . 1 1 42 42 LEU HA H 42 4.060 4.060 4.001 0.059 25135 9024 1 11 . 1 1 42 42 LEU C C 42 178.800 178.800 179.039 -0.239 25135 9025 1 11 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.819 -0.719 25135 9026 1 11 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.075 -0.775 25135 9027 1 11 . 1 1 42 42 LEU H H 42 7.200 7.200 7.744 -0.544 25135 9028 1 11 . 1 1 43 43 GLU N N 43 119.200 119.200 118.091 1.109 25135 9029 1 11 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.969 -0.049 25135 9030 1 11 . 1 1 43 43 GLU C C 43 179.100 179.100 178.778 0.322 25135 9031 1 11 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.668 -0.168 25135 9032 1 11 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.302 0.798 25135 9033 1 11 . 1 1 43 43 GLU H H 43 8.120 8.120 7.907 0.213 25135 9034 1 11 . 1 1 44 44 MET N N 44 116.500 116.500 115.207 1.293 25135 9035 1 11 . 1 1 44 44 MET HA H 44 4.310 4.310 4.236 0.074 25135 9036 1 11 . 1 1 44 44 MET C C 44 177.900 177.900 177.344 0.556 25135 9037 1 11 . 1 1 44 44 MET CA C 44 57.600 57.600 57.743 -0.143 25135 9038 1 11 . 1 1 44 44 MET CB C 44 32.500 32.500 32.898 -0.398 25135 9039 1 11 . 1 1 44 44 MET H H 44 7.600 7.600 7.793 -0.193 25135 9040 1 11 . 1 1 45 45 LEU N N 45 119.900 119.900 117.254 2.646 25135 9041 1 11 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.231 -0.081 25135 9042 1 11 . 1 1 45 45 LEU C C 45 178.000 178.000 179.182 -1.182 25135 9043 1 11 . 1 1 45 45 LEU CA C 45 56.600 56.600 57.410 -0.810 25135 9044 1 11 . 1 1 45 45 LEU CB C 45 42.000 42.000 42.766 -0.766 25135 9045 1 11 . 1 1 45 45 LEU H H 45 7.620 7.620 7.770 -0.150 25135 9046 1 11 . 1 1 46 46 GLN N N 46 118.300 118.300 118.108 0.192 25135 9047 1 11 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.153 -0.133 25135 9048 1 11 . 1 1 46 46 GLN C C 46 176.500 176.500 177.054 -0.554 25135 9049 1 11 . 1 1 46 46 GLN CA C 46 57.700 57.700 58.159 -0.459 25135 9050 1 11 . 1 1 46 46 GLN CB C 46 29.500 29.500 28.359 1.141 25135 9051 1 11 . 1 1 46 46 GLN H H 46 7.950 7.950 8.489 -0.539 25135 9052 1 11 . 1 1 47 47 ASP N N 47 119.000 119.000 119.148 -0.148 25135 9053 1 11 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.552 0.018 25135 9054 1 11 . 1 1 47 47 ASP C C 47 176.900 176.900 177.398 -0.498 25135 9055 1 11 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.497 -1.197 25135 9056 1 11 . 1 1 47 47 ASP CB C 47 41.300 41.300 41.214 0.086 25135 9057 1 11 . 1 1 47 47 ASP H H 47 7.890 7.890 7.873 0.017 25135 9058 1 11 . 1 1 48 48 GLN N N 48 119.500 119.500 116.962 2.538 25135 9059 1 11 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.379 -0.149 25135 9060 1 11 . 1 1 48 48 GLN C C 48 177.200 177.200 177.095 0.105 25135 9061 1 11 . 1 1 48 48 GLN CA C 48 56.700 56.700 56.250 0.450 25135 9062 1 11 . 1 1 48 48 GLN CB C 48 29.300 29.300 29.378 -0.078 25135 9063 1 11 . 1 1 48 48 GLN H H 48 8.080 8.080 7.623 0.457 25135 9064 1 11 . 1 1 49 49 GLY N N 49 108.100 108.100 109.187 -1.087 25135 9065 1 11 . 1 1 49 49 GLY C C 49 174.300 174.300 174.757 -0.457 25135 9066 1 11 . 1 1 49 49 GLY CA C 49 46.000 46.000 45.016 0.984 25135 9067 1 11 . 1 1 49 49 GLY H H 49 8.270 8.270 8.075 0.195 25135 9068 1 11 . 1 1 50 50 LYS N N 50 120.200 120.200 125.066 -4.866 25135 9069 1 11 . 1 1 50 50 LYS HA H 50 4.320 4.320 4.289 0.031 25135 9070 1 11 . 1 1 50 50 LYS C C 50 176.400 176.400 176.319 0.081 25135 9071 1 11 . 1 1 50 50 LYS CA C 50 56.500 56.500 56.558 -0.058 25135 9072 1 11 . 1 1 50 50 LYS CB C 50 32.900 32.900 31.349 1.551 25135 9073 1 11 . 1 1 50 50 LYS H H 50 8.130 8.130 8.634 -0.504 25135 9074 1 11 . 1 1 51 51 ARG N N 51 121.300 121.300 120.674 0.626 25135 9075 1 11 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.603 -0.143 25135 9076 1 11 . 1 1 51 51 ARG C C 51 176.100 176.100 173.793 2.307 25135 9077 1 11 . 1 1 51 51 ARG CA C 51 56.000 56.000 55.356 0.644 25135 9078 1 11 . 1 1 51 51 ARG CB C 51 31.200 31.200 33.641 -2.441 25135 9079 1 11 . 1 1 51 51 ARG H H 51 8.260 8.260 7.959 0.301 25135 9080 1 11 . 1 1 52 52 SER N N 52 116.900 116.900 114.108 2.792 25135 9081 1 11 . 1 1 52 52 SER HA H 52 4.550 4.550 4.635 -0.085 25135 9082 1 11 . 1 1 52 52 SER C C 52 173.900 173.900 173.064 0.836 25135 9083 1 11 . 1 1 52 52 SER CA C 52 57.800 57.800 58.878 -1.078 25135 9084 1 11 . 1 1 52 52 SER CB C 52 64.300 64.300 63.540 0.760 25135 9085 1 11 . 1 1 52 52 SER H H 52 8.150 8.150 8.331 -0.181 25135 9086 1 11 . 1 1 53 53 VAL N N 53 124.300 124.300 123.809 0.491 25135 9087 1 11 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.442 -0.152 25135 9088 1 11 . 1 1 53 53 VAL CA C 53 60.400 60.400 59.484 0.916 25135 9089 1 11 . 1 1 53 53 VAL CB C 53 32.500 32.500 31.934 0.566 25135 9090 1 11 . 1 1 53 53 VAL H H 53 8.420 8.420 8.704 -0.284 25135 9091 1 11 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.521 -0.031 25135 9092 1 11 . 1 1 54 54 PRO C C 54 176.600 176.600 176.514 0.086 25135 9093 1 11 . 1 1 54 54 PRO CA C 54 62.500 62.500 62.182 0.318 25135 9094 1 11 . 1 1 54 54 PRO CB C 54 32.600 32.600 30.055 2.545 25135 9095 1 11 . 1 1 55 55 SER N N 55 119.500 119.500 117.754 1.746 25135 9096 1 11 . 1 1 55 55 SER HA H 55 4.370 4.370 4.352 0.018 25135 9097 1 11 . 1 1 55 55 SER C C 55 175.500 175.500 175.700 -0.200 25135 9098 1 11 . 1 1 55 55 SER CA C 55 58.200 58.200 57.780 0.420 25135 9099 1 11 . 1 1 55 55 SER CB C 55 64.200 64.200 64.069 0.131 25135 9100 1 11 . 1 1 55 55 SER H H 55 8.970 8.970 8.254 0.716 25135 9101 1 11 . 1 1 56 56 GLU N N 56 123.000 123.000 122.438 0.562 25135 9102 1 11 . 1 1 56 56 GLU HA H 56 4.140 4.140 4.069 0.071 25135 9103 1 11 . 1 1 56 56 GLU C C 56 179.300 179.300 178.425 0.875 25135 9104 1 11 . 1 1 56 56 GLU CA C 56 59.700 59.700 59.541 0.159 25135 9105 1 11 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.606 -0.406 25135 9106 1 11 . 1 1 56 56 GLU H H 56 9.030 9.030 9.020 0.010 25135 9107 1 11 . 1 1 57 57 LYS N N 57 118.900 118.900 118.398 0.502 25135 9108 1 11 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.135 -0.135 25135 9109 1 11 . 1 1 57 57 LYS C C 57 179.400 179.400 178.274 1.126 25135 9110 1 11 . 1 1 57 57 LYS CA C 57 59.600 59.600 58.797 0.803 25135 9111 1 11 . 1 1 57 57 LYS CB C 57 32.700 32.700 31.931 0.769 25135 9112 1 11 . 1 1 57 57 LYS H H 57 8.150 8.150 8.450 -0.300 25135 9113 1 11 . 1 1 58 58 LEU N N 58 122.800 122.800 120.137 2.663 25135 9114 1 11 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.100 -0.000 25135 9115 1 11 . 1 1 58 58 LEU C C 58 178.200 178.200 178.168 0.032 25135 9116 1 11 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.232 0.068 25135 9117 1 11 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.518 -1.018 25135 9118 1 11 . 1 1 58 58 LEU H H 58 8.420 8.420 8.187 0.233 25135 9119 1 11 . 1 1 59 59 THR N N 59 117.800 117.800 113.498 4.302 25135 9120 1 11 . 1 1 59 59 THR HA H 59 3.730 3.730 3.976 -0.246 25135 9121 1 11 . 1 1 59 59 THR C C 59 176.800 176.800 176.553 0.247 25135 9122 1 11 . 1 1 59 59 THR CA C 59 67.500 67.500 66.566 0.934 25135 9123 1 11 . 1 1 59 59 THR CB C 59 68.400 68.400 68.269 0.131 25135 9124 1 11 . 1 1 59 59 THR H H 59 8.600 8.600 7.676 0.924 25135 9125 1 11 . 1 1 60 60 THR N N 60 118.300 118.300 117.340 0.960 25135 9126 1 11 . 1 1 60 60 THR HA H 60 3.980 3.980 4.018 -0.038 25135 9127 1 11 . 1 1 60 60 THR C C 60 176.400 176.400 176.003 0.397 25135 9128 1 11 . 1 1 60 60 THR CA C 60 66.900 66.900 66.590 0.310 25135 9129 1 11 . 1 1 60 60 THR CB C 60 68.400 68.400 68.710 -0.310 25135 9130 1 11 . 1 1 60 60 THR H H 60 8.390 8.390 7.586 0.804 25135 9131 1 11 . 1 1 61 61 ALA N N 61 124.900 124.900 124.435 0.465 25135 9132 1 11 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.067 0.053 25135 9133 1 11 . 1 1 61 61 ALA C C 61 180.000 180.000 179.430 0.570 25135 9134 1 11 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.367 0.432 25135 9135 1 11 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.267 0.533 25135 9136 1 11 . 1 1 61 61 ALA H H 61 8.090 8.090 7.718 0.372 25135 9137 1 11 . 1 1 62 62 MET N N 62 118.300 118.300 117.595 0.705 25135 9138 1 11 . 1 1 62 62 MET HA H 62 4.110 4.110 4.241 -0.131 25135 9139 1 11 . 1 1 62 62 MET C C 62 178.300 178.300 178.705 -0.405 25135 9140 1 11 . 1 1 62 62 MET CA C 62 59.600 59.600 59.775 -0.175 25135 9141 1 11 . 1 1 62 62 MET CB C 62 32.500 32.500 32.251 0.249 25135 9142 1 11 . 1 1 62 62 MET H H 62 8.820 8.820 8.638 0.182 25135 9143 1 11 . 1 1 63 63 ASN N N 63 119.500 119.500 118.559 0.941 25135 9144 1 11 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.517 0.063 25135 9145 1 11 . 1 1 63 63 ASN C C 63 179.000 179.000 177.855 1.145 25135 9146 1 11 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.616 -0.316 25135 9147 1 11 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.238 -0.538 25135 9148 1 11 . 1 1 63 63 ASN H H 63 8.320 8.320 8.784 -0.464 25135 9149 1 11 . 1 1 64 64 ARG N N 64 122.500 122.500 120.516 1.984 25135 9150 1 11 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.163 0.027 25135 9151 1 11 . 1 1 64 64 ARG C C 64 179.300 179.300 179.086 0.214 25135 9152 1 11 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.381 0.319 25135 9153 1 11 . 1 1 64 64 ARG CB C 64 30.700 30.700 30.072 0.628 25135 9154 1 11 . 1 1 64 64 ARG H H 64 8.560 8.560 8.133 0.427 25135 9155 1 11 . 1 1 65 65 PHE N N 65 123.100 123.100 122.463 0.637 25135 9156 1 11 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.313 0.157 25135 9157 1 11 . 1 1 65 65 PHE C C 65 176.400 176.400 176.967 -0.567 25135 9158 1 11 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.467 1.133 25135 9159 1 11 . 1 1 65 65 PHE CB C 65 39.400 39.400 38.959 0.441 25135 9160 1 11 . 1 1 65 65 PHE H H 65 8.560 8.560 8.828 -0.268 25135 9161 1 11 . 1 1 66 66 LYS N N 66 119.800 119.800 119.700 0.100 25135 9162 1 11 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.794 -0.174 25135 9163 1 11 . 1 1 66 66 LYS C C 66 177.600 177.600 178.875 -1.275 25135 9164 1 11 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.669 1.031 25135 9165 1 11 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.299 0.201 25135 9166 1 11 . 1 1 66 66 LYS H H 66 8.610 8.610 8.894 -0.284 25135 9167 1 11 . 1 1 67 67 ALA N N 67 119.000 119.000 121.868 -2.868 25135 9168 1 11 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.051 0.179 25135 9169 1 11 . 1 1 67 67 ALA C C 67 180.400 180.400 179.079 1.321 25135 9170 1 11 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.763 0.237 25135 9171 1 11 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.627 -0.627 25135 9172 1 11 . 1 1 67 67 ALA H H 67 8.000 8.000 8.291 -0.291 25135 9173 1 11 . 1 1 68 68 ALA N N 68 122.200 122.200 122.110 0.090 25135 9174 1 11 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.035 0.155 25135 9175 1 11 . 1 1 68 68 ALA C C 68 179.800 179.800 179.672 0.128 25135 9176 1 11 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.861 0.339 25135 9177 1 11 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.490 -0.690 25135 9178 1 11 . 1 1 68 68 ALA H H 68 7.950 7.950 8.452 -0.502 25135 9179 1 11 . 1 1 69 69 LEU N N 69 118.900 118.900 118.758 0.142 25135 9180 1 11 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.849 0.001 25135 9181 1 11 . 1 1 69 69 LEU C C 69 179.200 179.200 178.729 0.471 25135 9182 1 11 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.371 -0.871 25135 9183 1 11 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.446 -0.046 25135 9184 1 11 . 1 1 69 69 LEU H H 69 8.020 8.020 8.475 -0.455 25135 9185 1 11 . 1 1 70 70 GLU N N 70 120.500 120.500 118.352 2.148 25135 9186 1 11 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.831 0.109 25135 9187 1 11 . 1 1 70 70 GLU C C 70 180.500 180.500 179.077 1.423 25135 9188 1 11 . 1 1 70 70 GLU CA C 70 59.900 59.900 59.969 -0.069 25135 9189 1 11 . 1 1 70 70 GLU CB C 70 29.200 29.200 28.958 0.242 25135 9190 1 11 . 1 1 70 70 GLU H H 70 8.590 8.590 7.987 0.603 25135 9191 1 11 . 1 1 71 71 GLU N N 71 122.200 122.200 119.649 2.551 25135 9192 1 11 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.073 -0.003 25135 9193 1 11 . 1 1 71 71 GLU C C 71 179.600 179.600 178.326 1.274 25135 9194 1 11 . 1 1 71 71 GLU CA C 71 59.400 59.400 59.306 0.095 25135 9195 1 11 . 1 1 71 71 GLU CB C 71 29.400 29.400 29.070 0.330 25135 9196 1 11 . 1 1 71 71 GLU H H 71 8.300 8.300 7.461 0.839 25135 9197 1 11 . 1 1 72 72 ALA N N 72 122.800 122.800 121.514 1.286 25135 9198 1 11 . 1 1 72 72 ALA HA H 72 3.890 3.890 3.959 -0.069 25135 9199 1 11 . 1 1 72 72 ALA C C 72 178.500 178.500 179.644 -1.144 25135 9200 1 11 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.378 0.322 25135 9201 1 11 . 1 1 72 72 ALA CB C 72 17.200 17.200 17.888 -0.688 25135 9202 1 11 . 1 1 72 72 ALA H H 72 8.330 8.330 7.604 0.726 25135 9203 1 11 . 1 1 73 73 ASN N N 73 115.700 115.700 117.365 -1.665 25135 9204 1 11 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.310 0.140 25135 9205 1 11 . 1 1 73 73 ASN C C 73 177.600 177.600 177.716 -0.116 25135 9206 1 11 . 1 1 73 73 ASN CA C 73 56.300 56.300 56.741 -0.441 25135 9207 1 11 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.437 0.463 25135 9208 1 11 . 1 1 73 73 ASN H H 73 8.460 8.460 8.801 -0.341 25135 9209 1 11 . 1 1 74 74 GLY N N 74 105.500 105.500 108.278 -2.778 25135 9210 1 11 . 1 1 74 74 GLY C C 74 177.100 177.100 176.462 0.638 25135 9211 1 11 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.877 0.123 25135 9212 1 11 . 1 1 74 74 GLY H H 74 8.070 8.070 8.588 -0.518 25135 9213 1 11 . 1 1 75 75 GLU N N 75 123.500 123.500 122.381 1.119 25135 9214 1 11 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.879 0.231 25135 9215 1 11 . 1 1 75 75 GLU C C 75 178.500 178.500 179.253 -0.753 25135 9216 1 11 . 1 1 75 75 GLU CA C 75 58.700 58.700 59.118 -0.418 25135 9217 1 11 . 1 1 75 75 GLU CB C 75 29.900 29.900 29.638 0.262 25135 9218 1 11 . 1 1 75 75 GLU H H 75 8.110 8.110 8.390 -0.280 25135 9219 1 11 . 1 1 76 76 ILE N N 76 120.300 120.300 119.832 0.468 25135 9220 1 11 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.857 -0.037 25135 9221 1 11 . 1 1 76 76 ILE C C 76 178.300 178.300 177.899 0.401 25135 9222 1 11 . 1 1 76 76 ILE CA C 76 65.500 65.500 65.296 0.204 25135 9223 1 11 . 1 1 76 76 ILE CB C 76 37.900 37.900 38.126 -0.226 25135 9224 1 11 . 1 1 76 76 ILE H H 76 8.330 8.330 8.667 -0.337 25135 9225 1 11 . 1 1 77 77 GLU N N 77 119.400 119.400 120.434 -1.034 25135 9226 1 11 . 1 1 77 77 GLU HA H 77 3.920 3.920 4.059 -0.139 25135 9227 1 11 . 1 1 77 77 GLU C C 77 180.200 180.200 178.168 2.032 25135 9228 1 11 . 1 1 77 77 GLU CA C 77 59.700 59.700 58.911 0.789 25135 9229 1 11 . 1 1 77 77 GLU CB C 77 29.300 29.300 29.864 -0.564 25135 9230 1 11 . 1 1 77 77 GLU H H 77 7.860 7.860 8.079 -0.219 25135 9231 1 11 . 1 1 78 78 LYS N N 78 121.600 121.600 118.015 3.585 25135 9232 1 11 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.075 -0.175 25135 9233 1 11 . 1 1 78 78 LYS C C 78 179.200 179.200 178.090 1.110 25135 9234 1 11 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.390 1.510 25135 9235 1 11 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.452 -0.152 25135 9236 1 11 . 1 1 78 78 LYS H H 78 7.760 7.760 8.224 -0.464 25135 9237 1 11 . 1 1 79 79 PHE N N 79 115.900 115.900 116.904 -1.004 25135 9238 1 11 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.652 0.028 25135 9239 1 11 . 1 1 79 79 PHE C C 79 174.100 174.100 176.480 -2.380 25135 9240 1 11 . 1 1 79 79 PHE CA C 79 58.200 58.200 57.579 0.621 25135 9241 1 11 . 1 1 79 79 PHE CB C 79 36.900 36.900 39.729 -2.829 25135 9242 1 11 . 1 1 79 79 PHE H H 79 8.170 8.170 7.476 0.694 25135 9243 1 11 . 1 1 80 80 SER N N 80 113.300 113.300 114.492 -1.192 25135 9244 1 11 . 1 1 80 80 SER HA H 80 4.500 4.500 4.271 0.229 25135 9245 1 11 . 1 1 80 80 SER C C 80 173.700 173.700 174.512 -0.812 25135 9246 1 11 . 1 1 80 80 SER CA C 80 60.500 60.500 61.322 -0.822 25135 9247 1 11 . 1 1 80 80 SER CB C 80 63.400 63.400 63.630 -0.230 25135 9248 1 11 . 1 1 80 80 SER H H 80 7.700 7.700 7.551 0.149 25135 9249 1 11 . 1 1 81 81 ASN N N 81 119.500 119.500 119.739 -0.239 25135 9250 1 11 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.735 0.235 25135 9251 1 11 . 1 1 81 81 ASN CA C 81 52.100 52.100 52.763 -0.663 25135 9252 1 11 . 1 1 81 81 ASN CB C 81 40.300 40.300 39.128 1.172 25135 9253 1 11 . 1 1 81 81 ASN H H 81 7.290 7.290 7.976 -0.686 25135 9254 1 11 . 1 1 82 82 ARG N N 82 127.400 127.400 127.422 -0.022 25135 9255 1 11 . 1 1 82 82 ARG HA H 82 3.590 3.590 3.193 0.397 25135 9256 1 11 . 1 1 82 82 ARG C C 82 177.700 177.700 177.670 0.030 25135 9257 1 11 . 1 1 82 82 ARG CA C 82 59.800 59.800 59.291 0.509 25135 9258 1 11 . 1 1 82 82 ARG CB C 82 30.100 30.100 29.388 0.712 25135 9259 1 11 . 1 1 82 82 ARG H H 82 9.050 9.050 8.692 0.358 25135 9260 1 11 . 1 1 83 83 SER N N 83 114.600 114.600 112.793 1.807 25135 9261 1 11 . 1 1 83 83 SER HA H 83 3.930 3.930 4.217 -0.287 25135 9262 1 11 . 1 1 83 83 SER C C 83 177.100 177.100 175.676 1.424 25135 9263 1 11 . 1 1 83 83 SER CA C 83 62.200 62.200 60.802 1.398 25135 9264 1 11 . 1 1 83 83 SER CB C 83 62.000 62.000 62.789 -0.789 25135 9265 1 11 . 1 1 83 83 SER H H 83 8.390 8.390 8.339 0.050 25135 9266 1 11 . 1 1 84 84 ASN N N 84 119.700 119.700 118.373 1.327 25135 9267 1 11 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.704 -0.104 25135 9268 1 11 . 1 1 84 84 ASN C C 84 179.100 179.100 177.256 1.844 25135 9269 1 11 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.032 0.368 25135 9270 1 11 . 1 1 84 84 ASN CB C 84 37.600 37.600 39.045 -1.445 25135 9271 1 11 . 1 1 84 84 ASN H H 84 7.980 7.980 8.079 -0.099 25135 9272 1 11 . 1 1 85 85 ILE N N 85 122.100 122.100 122.084 0.016 25135 9273 1 11 . 1 1 85 85 ILE HA H 85 3.820 3.820 3.947 -0.127 25135 9274 1 11 . 1 1 85 85 ILE C C 85 176.900 176.900 177.423 -0.523 25135 9275 1 11 . 1 1 85 85 ILE CA C 85 64.700 64.700 65.529 -0.829 25135 9276 1 11 . 1 1 85 85 ILE CB C 85 37.400 37.400 36.694 0.706 25135 9277 1 11 . 1 1 85 85 ILE H H 85 7.760 7.760 7.660 0.100 25135 9278 1 11 . 1 1 86 86 CYS N N 86 119.200 119.200 118.078 1.122 25135 9279 1 11 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.654 0.286 25135 9280 1 11 . 1 1 86 86 CYS C C 86 177.400 177.400 176.492 0.908 25135 9281 1 11 . 1 1 86 86 CYS CA C 86 63.800 63.800 62.425 1.375 25135 9282 1 11 . 1 1 86 86 CYS CB C 86 26.900 26.900 27.021 -0.121 25135 9283 1 11 . 1 1 86 86 CYS H H 86 8.330 8.330 7.696 0.634 25135 9284 1 11 . 1 1 87 87 ARG N N 87 119.200 119.200 118.654 0.546 25135 9285 1 11 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.136 -0.116 25135 9286 1 11 . 1 1 87 87 ARG C C 87 178.500 178.500 178.610 -0.110 25135 9287 1 11 . 1 1 87 87 ARG CA C 87 59.500 59.500 59.308 0.192 25135 9288 1 11 . 1 1 87 87 ARG CB C 87 30.300 30.300 30.241 0.059 25135 9289 1 11 . 1 1 87 87 ARG H H 87 7.900 7.900 7.562 0.338 25135 9290 1 11 . 1 1 88 88 PHE N N 88 120.300 120.300 121.631 -1.331 25135 9291 1 11 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.388 -0.168 25135 9292 1 11 . 1 1 88 88 PHE C C 88 177.200 177.200 177.171 0.029 25135 9293 1 11 . 1 1 88 88 PHE CA C 88 61.500 61.500 60.299 1.201 25135 9294 1 11 . 1 1 88 88 PHE CB C 88 39.800 39.800 38.834 0.966 25135 9295 1 11 . 1 1 88 88 PHE H H 88 7.760 7.760 8.621 -0.861 25135 9296 1 11 . 1 1 89 89 LEU N N 89 117.900 117.900 120.214 -2.314 25135 9297 1 11 . 1 1 89 89 LEU HA H 89 3.640 3.640 3.085 0.555 25135 9298 1 11 . 1 1 89 89 LEU C C 89 178.700 178.700 178.820 -0.120 25135 9299 1 11 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.621 -0.221 25135 9300 1 11 . 1 1 89 89 LEU CB C 89 41.600 41.600 40.756 0.844 25135 9301 1 11 . 1 1 89 89 LEU H H 89 8.590 8.590 8.115 0.475 25135 9302 1 11 . 1 1 90 90 THR N N 90 112.000 112.000 113.814 -1.814 25135 9303 1 11 . 1 1 90 90 THR HA H 90 3.980 3.980 3.912 0.068 25135 9304 1 11 . 1 1 90 90 THR C C 90 174.900 174.900 176.240 -1.340 25135 9305 1 11 . 1 1 90 90 THR CA C 90 65.200 65.200 65.948 -0.748 25135 9306 1 11 . 1 1 90 90 THR CB C 90 69.300 69.300 68.886 0.414 25135 9307 1 11 . 1 1 90 90 THR H H 90 7.690 7.690 7.268 0.422 25135 9308 1 11 . 1 1 91 91 ALA N N 91 122.400 122.400 121.472 0.928 25135 9309 1 11 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.259 0.011 25135 9310 1 11 . 1 1 91 91 ALA C C 91 177.500 177.500 177.526 -0.026 25135 9311 1 11 . 1 1 91 91 ALA CA C 91 53.000 53.000 52.942 0.058 25135 9312 1 11 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.030 0.970 25135 9313 1 11 . 1 1 91 91 ALA H H 91 7.220 7.220 7.737 -0.517 25135 9314 1 11 . 1 1 92 92 SER N N 92 112.900 112.900 112.665 0.235 25135 9315 1 11 . 1 1 92 92 SER HA H 92 4.130 4.130 4.268 -0.138 25135 9316 1 11 . 1 1 92 92 SER CA C 92 57.600 57.600 58.889 -1.289 25135 9317 1 11 . 1 1 92 92 SER CB C 92 64.000 64.000 61.405 2.595 25135 9318 1 11 . 1 1 92 92 SER H H 92 7.510 7.510 7.918 -0.408 25135 9319 1 11 . 1 1 93 93 GLN N N 93 125.700 125.700 122.923 2.777 25135 9320 1 11 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.177 0.023 25135 9321 1 11 . 1 1 93 93 GLN C C 93 176.700 176.700 176.508 0.192 25135 9322 1 11 . 1 1 93 93 GLN CA C 93 57.700 57.700 59.000 -1.300 25135 9323 1 11 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.481 -0.481 25135 9324 1 11 . 1 1 93 93 GLN H H 93 8.710 8.710 8.415 0.295 25135 9325 1 11 . 1 1 94 94 ASP N N 94 116.400 116.400 114.286 2.114 25135 9326 1 11 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.788 -0.228 25135 9327 1 11 . 1 1 94 94 ASP CA C 94 54.000 54.000 54.101 -0.101 25135 9328 1 11 . 1 1 94 94 ASP CB C 94 41.700 41.700 41.927 -0.227 25135 9329 1 11 . 1 1 94 94 ASP H H 94 7.800 7.800 8.440 -0.640 25135 9330 1 11 . 1 1 95 95 LYS N N 95 114.300 114.300 115.882 -1.582 25135 9331 1 11 . 1 1 95 95 LYS H H 95 8.290 8.290 8.704 -0.414 25135 9332 1 11 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.442 -0.122 25135 9333 1 11 . 1 1 96 96 ILE C C 96 177.000 177.000 176.944 0.056 25135 9334 1 11 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.827 0.973 25135 9335 1 11 . 1 1 96 96 ILE CB C 96 38.100 38.100 39.573 -1.473 25135 9336 1 11 . 1 1 97 97 LEU N N 97 131.100 131.100 126.690 4.410 25135 9337 1 11 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.352 -0.232 25135 9338 1 11 . 1 1 97 97 LEU C C 97 177.200 177.200 177.692 -0.492 25135 9339 1 11 . 1 1 97 97 LEU CA C 97 58.000 58.000 58.405 -0.405 25135 9340 1 11 . 1 1 97 97 LEU CB C 97 42.900 42.900 41.870 1.030 25135 9341 1 11 . 1 1 97 97 LEU H H 97 8.620 8.620 9.003 -0.383 25135 9342 1 11 . 1 1 98 98 PHE N N 98 113.600 113.600 111.340 2.260 25135 9343 1 11 . 1 1 98 98 PHE HA H 98 5.100 5.100 4.901 0.199 25135 9344 1 11 . 1 1 98 98 PHE C C 98 175.400 175.400 175.378 0.022 25135 9345 1 11 . 1 1 98 98 PHE CA C 98 55.700 55.700 55.044 0.656 25135 9346 1 11 . 1 1 98 98 PHE CB C 98 37.600 37.600 37.006 0.594 25135 9347 1 11 . 1 1 98 98 PHE H H 98 8.450 8.450 7.715 0.735 25135 9348 1 11 . 1 1 99 99 LYS N N 99 119.500 119.500 123.822 -4.322 25135 9349 1 11 . 1 1 99 99 LYS HA H 99 3.880 3.880 3.814 0.066 25135 9350 1 11 . 1 1 99 99 LYS C C 99 178.900 178.900 177.845 1.055 25135 9351 1 11 . 1 1 99 99 LYS CA C 99 61.100 61.100 61.182 -0.082 25135 9352 1 11 . 1 1 99 99 LYS CB C 99 33.500 33.500 32.261 1.239 25135 9353 1 11 . 1 1 99 99 LYS H H 99 6.790 6.790 7.191 -0.401 25135 9354 1 11 . 1 1 100 100 ASP N N 100 117.800 117.800 118.980 -1.180 25135 9355 1 11 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.468 0.142 25135 9356 1 11 . 1 1 100 100 ASP C C 100 179.000 179.000 178.589 0.411 25135 9357 1 11 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.270 0.529 25135 9358 1 11 . 1 1 100 100 ASP CB C 100 40.400 40.400 40.226 0.174 25135 9359 1 11 . 1 1 100 100 ASP H H 100 8.520 8.520 8.840 -0.320 25135 9360 1 11 . 1 1 101 101 VAL N N 101 122.600 122.600 119.273 3.327 25135 9361 1 11 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.834 0.026 25135 9362 1 11 . 1 1 101 101 VAL C C 101 177.100 177.100 178.054 -0.954 25135 9363 1 11 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.207 -0.507 25135 9364 1 11 . 1 1 101 101 VAL CB C 101 32.300 32.300 31.913 0.386 25135 9365 1 11 . 1 1 101 101 VAL H H 101 8.210 8.210 7.829 0.381 25135 9366 1 11 . 1 1 102 102 ASN N N 102 121.000 121.000 118.636 2.364 25135 9367 1 11 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.837 -0.277 25135 9368 1 11 . 1 1 102 102 ASN C C 102 178.500 178.500 178.339 0.161 25135 9369 1 11 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.595 -0.395 25135 9370 1 11 . 1 1 102 102 ASN CB C 102 37.900 37.900 38.600 -0.700 25135 9371 1 11 . 1 1 102 102 ASN H H 102 9.060 9.060 8.869 0.191 25135 9372 1 11 . 1 1 103 103 ARG N N 103 120.700 120.700 119.410 1.290 25135 9373 1 11 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.316 -0.156 25135 9374 1 11 . 1 1 103 103 ARG C C 103 177.900 177.900 178.193 -0.293 25135 9375 1 11 . 1 1 103 103 ARG CA C 103 59.100 59.100 58.430 0.670 25135 9376 1 11 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.581 -0.681 25135 9377 1 11 . 1 1 103 103 ARG H H 103 7.640 7.640 8.259 -0.619 25135 9378 1 11 . 1 1 104 104 LYS N N 104 119.700 119.700 120.879 -1.179 25135 9379 1 11 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.256 -0.066 25135 9380 1 11 . 1 1 104 104 LYS C C 104 179.300 179.300 178.819 0.481 25135 9381 1 11 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.696 0.404 25135 9382 1 11 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.681 -0.181 25135 9383 1 11 . 1 1 104 104 LYS H H 104 7.960 7.960 8.347 -0.387 25135 9384 1 11 . 1 1 105 105 LEU N N 105 118.200 118.200 121.226 -3.026 25135 9385 1 11 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.241 -0.201 25135 9386 1 11 . 1 1 105 105 LEU C C 105 178.400 178.400 178.422 -0.022 25135 9387 1 11 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.273 0.227 25135 9388 1 11 . 1 1 105 105 LEU CB C 105 42.500 42.500 42.087 0.413 25135 9389 1 11 . 1 1 105 105 LEU H H 105 8.990 8.990 9.080 -0.090 25135 9390 1 11 . 1 1 106 106 SER N N 106 111.700 111.700 114.049 -2.349 25135 9391 1 11 . 1 1 106 106 SER HA H 106 3.870 3.870 4.359 -0.489 25135 9392 1 11 . 1 1 106 106 SER C C 106 177.500 177.500 176.590 0.910 25135 9393 1 11 . 1 1 106 106 SER CA C 106 61.400 61.400 61.684 -0.284 25135 9394 1 11 . 1 1 106 106 SER CB C 106 62.600 62.600 62.447 0.153 25135 9395 1 11 . 1 1 106 106 SER H H 106 7.980 7.980 7.899 0.081 25135 9396 1 11 . 1 1 107 107 ASP N N 107 122.000 122.000 122.530 -0.530 25135 9397 1 11 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.358 0.082 25135 9398 1 11 . 1 1 107 107 ASP C C 107 179.700 179.700 178.519 1.181 25135 9399 1 11 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.204 0.696 25135 9400 1 11 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.894 -0.294 25135 9401 1 11 . 1 1 107 107 ASP H H 107 8.500 8.500 7.640 0.860 25135 9402 1 11 . 1 1 108 108 VAL N N 108 119.200 119.200 118.477 0.723 25135 9403 1 11 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.813 0.197 25135 9404 1 11 . 1 1 108 108 VAL C C 108 178.400 178.400 177.709 0.691 25135 9405 1 11 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.473 -0.873 25135 9406 1 11 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.143 0.357 25135 9407 1 11 . 1 1 108 108 VAL H H 108 8.830 8.830 7.689 1.141 25135 9408 1 11 . 1 1 109 109 TRP N N 109 121.900 121.900 121.961 -0.061 25135 9409 1 11 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.939 0.331 25135 9410 1 11 . 1 1 109 109 TRP C C 109 178.000 178.000 177.730 0.270 25135 9411 1 11 . 1 1 109 109 TRP CA C 109 60.100 60.100 59.939 0.161 25135 9412 1 11 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.418 0.282 25135 9413 1 11 . 1 1 109 109 TRP H H 109 8.710 8.710 7.885 0.825 25135 9414 1 11 . 1 1 110 110 LYS N N 110 119.500 119.500 118.576 0.924 25135 9415 1 11 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.712 -0.082 25135 9416 1 11 . 1 1 110 110 LYS C C 110 178.000 178.000 179.055 -1.055 25135 9417 1 11 . 1 1 110 110 LYS CA C 110 60.500 60.500 59.760 0.740 25135 9418 1 11 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.077 0.123 25135 9419 1 11 . 1 1 110 110 LYS H H 110 8.010 8.010 7.817 0.193 25135 9420 1 11 . 1 1 111 111 GLU N N 111 116.700 116.700 118.221 -1.521 25135 9421 1 11 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.114 -0.104 25135 9422 1 11 . 1 1 111 111 GLU C C 111 178.400 178.400 178.595 -0.195 25135 9423 1 11 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.156 0.645 25135 9424 1 11 . 1 1 111 111 GLU CB C 111 30.400 30.400 30.031 0.369 25135 9425 1 11 . 1 1 111 111 GLU H H 111 7.000 7.000 7.612 -0.612 25135 9426 1 11 . 1 1 112 112 LEU N N 112 119.000 119.000 121.326 -2.326 25135 9427 1 11 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.171 -0.431 25135 9428 1 11 . 1 1 112 112 LEU C C 112 177.600 177.600 177.678 -0.078 25135 9429 1 11 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.147 0.653 25135 9430 1 11 . 1 1 112 112 LEU CB C 112 42.200 42.200 42.070 0.130 25135 9431 1 11 . 1 1 112 112 LEU H H 112 8.380 8.380 8.172 0.208 25135 9432 1 11 . 1 1 113 113 SER N N 113 113.100 113.100 114.985 -1.885 25135 9433 1 11 . 1 1 113 113 SER HA H 113 3.190 3.190 3.522 -0.332 25135 9434 1 11 . 1 1 113 113 SER C C 113 176.300 176.300 175.999 0.301 25135 9435 1 11 . 1 1 113 113 SER CA C 113 61.600 61.600 61.175 0.425 25135 9436 1 11 . 1 1 113 113 SER CB C 113 61.800 61.800 62.004 -0.204 25135 9437 1 11 . 1 1 113 113 SER H H 113 8.490 8.490 8.004 0.486 25135 9438 1 11 . 1 1 114 114 LEU N N 114 121.500 121.500 121.282 0.218 25135 9439 1 11 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.208 -0.188 25135 9440 1 11 . 1 1 114 114 LEU C C 114 179.100 179.100 177.473 1.627 25135 9441 1 11 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.253 0.747 25135 9442 1 11 . 1 1 114 114 LEU CB C 114 41.800 41.800 40.642 1.158 25135 9443 1 11 . 1 1 114 114 LEU H H 114 6.810 6.810 7.118 -0.308 25135 9444 1 11 . 1 1 115 115 LEU N N 115 118.200 118.200 118.372 -0.172 25135 9445 1 11 . 1 1 115 115 LEU HA H 115 4.060 4.060 4.036 0.024 25135 9446 1 11 . 1 1 115 115 LEU C C 115 179.600 179.600 178.938 0.662 25135 9447 1 11 . 1 1 115 115 LEU CA C 115 57.700 57.700 57.035 0.665 25135 9448 1 11 . 1 1 115 115 LEU CB C 115 43.100 43.100 41.898 1.202 25135 9449 1 11 . 1 1 115 115 LEU H H 115 7.270 7.270 7.107 0.163 25135 9450 1 11 . 1 1 116 116 LEU N N 116 118.700 118.700 120.701 -2.001 25135 9451 1 11 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.850 0.000 25135 9452 1 11 . 1 1 116 116 LEU C C 116 179.300 179.300 179.342 -0.042 25135 9453 1 11 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.201 -0.601 25135 9454 1 11 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.697 -0.297 25135 9455 1 11 . 1 1 116 116 LEU H H 116 8.440 8.440 8.017 0.423 25135 9456 1 11 . 1 1 117 117 GLN N N 117 119.500 119.500 116.650 2.850 25135 9457 1 11 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.296 0.044 25135 9458 1 11 . 1 1 117 117 GLN C C 117 178.200 178.200 178.447 -0.247 25135 9459 1 11 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.760 0.040 25135 9460 1 11 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.496 0.304 25135 9461 1 11 . 1 1 117 117 GLN H H 117 8.030 8.030 8.336 -0.306 25135 9462 1 11 . 1 1 118 118 VAL N N 118 117.600 117.600 119.330 -1.730 25135 9463 1 11 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.824 0.016 25135 9464 1 11 . 1 1 118 118 VAL C C 118 177.900 177.900 177.842 0.058 25135 9465 1 11 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.438 -0.038 25135 9466 1 11 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.599 1.301 25135 9467 1 11 . 1 1 118 118 VAL H H 118 8.110 8.110 7.431 0.679 25135 9468 1 11 . 1 1 119 119 GLU N N 119 116.900 116.900 118.490 -1.590 25135 9469 1 11 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.108 0.202 25135 9470 1 11 . 1 1 119 119 GLU C C 119 177.700 177.700 178.696 -0.996 25135 9471 1 11 . 1 1 119 119 GLU CA C 119 58.400 58.400 58.709 -0.309 25135 9472 1 11 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.444 1.256 25135 9473 1 11 . 1 1 119 119 GLU H H 119 8.620 8.620 8.537 0.083 25135 9474 1 11 . 1 1 120 120 GLN N N 120 113.300 113.300 116.529 -3.229 25135 9475 1 11 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.372 0.078 25135 9476 1 11 . 1 1 120 120 GLN C C 120 174.700 174.700 176.754 -2.054 25135 9477 1 11 . 1 1 120 120 GLN CA C 120 54.500 54.500 55.316 -0.816 25135 9478 1 11 . 1 1 120 120 GLN CB C 120 28.600 28.600 29.605 -1.005 25135 9479 1 11 . 1 1 120 120 GLN H H 120 7.350 7.350 8.053 -0.703 25135 9480 1 11 . 1 1 121 121 ARG N N 121 114.800 114.800 114.241 0.559 25135 9481 1 11 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.131 -0.011 25135 9482 1 11 . 1 1 121 121 ARG C C 121 175.600 175.600 175.754 -0.154 25135 9483 1 11 . 1 1 121 121 ARG CA C 121 56.600 56.600 56.948 -0.348 25135 9484 1 11 . 1 1 121 121 ARG CB C 121 27.700 27.700 26.974 0.726 25135 9485 1 11 . 1 1 121 121 ARG H H 121 7.410 7.410 8.016 -0.606 25135 9486 1 11 . 1 1 122 122 MET N N 122 120.300 120.300 117.708 2.592 25135 9487 1 11 . 1 1 122 122 MET HA H 122 4.600 4.600 4.822 -0.222 25135 9488 1 11 . 1 1 122 122 MET CA C 122 53.700 53.700 53.440 0.260 25135 9489 1 11 . 1 1 122 122 MET CB C 122 34.700 34.700 32.625 2.075 25135 9490 1 11 . 1 1 122 122 MET H H 122 7.760 7.760 7.436 0.324 25135 9491 1 11 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.493 -0.013 25135 9492 1 11 . 1 1 123 123 PRO C C 123 176.300 176.300 176.285 0.015 25135 9493 1 11 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.062 -0.263 25135 9494 1 11 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.506 -0.206 25135 9495 1 11 . 1 1 124 124 VAL N N 124 120.000 120.000 121.794 -1.794 25135 9496 1 11 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.329 -0.249 25135 9497 1 11 . 1 1 124 124 VAL C C 124 175.800 175.800 174.768 1.032 25135 9498 1 11 . 1 1 124 124 VAL CA C 124 61.700 61.700 60.886 0.814 25135 9499 1 11 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.411 -1.311 25135 9500 1 11 . 1 1 124 124 VAL H H 124 8.080 8.080 8.158 -0.078 25135 9501 1 11 . 1 1 125 125 SER N N 125 121.200 121.200 118.516 2.684 25135 9502 1 11 . 1 1 125 125 SER HA H 125 4.800 4.800 4.944 -0.144 25135 9503 1 11 . 1 1 125 125 SER CA C 125 56.200 56.200 55.322 0.878 25135 9504 1 11 . 1 1 125 125 SER CB C 125 63.700 63.700 64.341 -0.641 25135 9505 1 11 . 1 1 125 125 SER H H 125 8.380 8.380 8.366 0.014 25135 9506 1 11 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.236 0.244 25135 9507 1 11 . 1 1 126 126 PRO C C 126 177.100 177.100 176.839 0.261 25135 9508 1 11 . 1 1 126 126 PRO CA C 126 63.400 63.400 64.237 -0.837 25135 9509 1 11 . 1 1 126 126 PRO CB C 126 31.900 31.900 30.557 1.343 25135 9510 1 11 . 1 1 127 127 ILE N N 127 119.900 119.900 121.004 -1.104 25135 9511 1 11 . 1 1 127 127 ILE HA H 127 4.140 4.140 3.745 0.395 25135 9512 1 11 . 1 1 127 127 ILE C C 127 176.300 176.300 177.076 -0.776 25135 9513 1 11 . 1 1 127 127 ILE CA C 127 61.300 61.300 64.587 -3.287 25135 9514 1 11 . 1 1 127 127 ILE CB C 127 38.800 38.800 36.673 2.127 25135 9515 1 11 . 1 1 127 127 ILE H H 127 8.050 8.050 8.574 -0.524 25135 9516 1 11 . 1 1 128 128 SER N N 128 119.000 119.000 114.403 4.597 25135 9517 1 11 . 1 1 128 128 SER HA H 128 4.400 4.400 4.065 0.335 25135 9518 1 11 . 1 1 128 128 SER C C 128 174.600 174.600 174.694 -0.094 25135 9519 1 11 . 1 1 128 128 SER CA C 128 58.300 58.300 60.476 -2.176 25135 9520 1 11 . 1 1 128 128 SER CB C 128 63.600 63.600 62.383 1.217 25135 9521 1 11 . 1 1 128 128 SER H H 128 8.230 8.230 8.787 -0.557 25135 9522 1 11 . 1 1 129 129 GLN N N 129 122.600 122.600 119.664 2.936 25135 9523 1 11 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.556 -0.326 25135 9524 1 11 . 1 1 129 129 GLN C C 129 176.200 176.200 176.108 0.092 25135 9525 1 11 . 1 1 129 129 GLN CA C 129 56.300 56.300 54.617 1.683 25135 9526 1 11 . 1 1 129 129 GLN CB C 129 29.100 29.100 28.793 0.308 25135 9527 1 11 . 1 1 129 129 GLN H H 129 8.340 8.340 8.114 0.226 25135 9528 1 11 . 1 1 130 130 GLY N N 130 109.200 109.200 106.977 2.223 25135 9529 1 11 . 1 1 130 130 GLY C C 130 175.100 175.100 174.365 0.735 25135 9530 1 11 . 1 1 130 130 GLY CA C 130 45.200 45.200 45.251 -0.051 25135 9531 1 11 . 1 1 130 130 GLY H H 130 8.150 8.150 8.334 -0.184 25135 9532 1 11 . 1 1 131 131 ALA N N 131 124.700 124.700 125.069 -0.369 25135 9533 1 11 . 1 1 131 131 ALA HA H 131 4.230 4.230 2.910 1.320 25135 9534 1 11 . 1 1 131 131 ALA C C 131 178.700 178.700 177.290 1.410 25135 9535 1 11 . 1 1 131 131 ALA CA C 131 53.800 53.800 51.886 1.914 25135 9536 1 11 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.151 0.749 25135 9537 1 11 . 1 1 131 131 ALA H H 131 8.070 8.070 8.539 -0.469 25135 9538 1 11 . 1 1 132 132 SER N N 132 113.200 113.200 114.641 -1.441 25135 9539 1 11 . 1 1 132 132 SER HA H 132 4.580 4.580 4.385 0.195 25135 9540 1 11 . 1 1 132 132 SER C C 132 175.700 175.700 175.516 0.184 25135 9541 1 11 . 1 1 132 132 SER CA C 132 58.500 58.500 58.689 -0.189 25135 9542 1 11 . 1 1 132 132 SER CB C 132 63.800 63.800 62.606 1.194 25135 9543 1 11 . 1 1 132 132 SER H H 132 8.340 8.340 8.137 0.203 25135 9544 1 11 . 1 1 133 133 TRP N N 133 122.800 122.800 122.686 0.114 25135 9545 1 11 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.337 0.193 25135 9546 1 11 . 1 1 133 133 TRP C C 133 178.200 178.200 177.626 0.574 25135 9547 1 11 . 1 1 133 133 TRP CA C 133 58.900 58.900 60.113 -1.213 25135 9548 1 11 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.525 1.675 25135 9549 1 11 . 1 1 133 133 TRP H H 133 8.380 8.380 7.219 1.161 25135 9550 1 11 . 1 1 134 134 ALA N N 134 120.600 120.600 121.275 -0.675 25135 9551 1 11 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.907 0.343 25135 9552 1 11 . 1 1 134 134 ALA C C 134 180.700 180.700 179.962 0.738 25135 9553 1 11 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.158 0.542 25135 9554 1 11 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.801 0.199 25135 9555 1 11 . 1 1 134 134 ALA H H 134 8.420 8.420 8.421 -0.001 25135 9556 1 11 . 1 1 135 135 GLN N N 135 118.900 118.900 117.815 1.085 25135 9557 1 11 . 1 1 135 135 GLN HA H 135 4.100 4.100 4.034 0.066 25135 9558 1 11 . 1 1 135 135 GLN C C 135 179.200 179.200 178.784 0.416 25135 9559 1 11 . 1 1 135 135 GLN CA C 135 59.000 59.000 59.110 -0.110 25135 9560 1 11 . 1 1 135 135 GLN CB C 135 28.500 28.500 28.849 -0.348 25135 9561 1 11 . 1 1 135 135 GLN H H 135 7.860 7.860 8.059 -0.199 25135 9562 1 11 . 1 1 136 136 GLU N N 136 120.900 120.900 119.623 1.277 25135 9563 1 11 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.170 -0.350 25135 9564 1 11 . 1 1 136 136 GLU C C 136 177.800 177.800 178.947 -1.147 25135 9565 1 11 . 1 1 136 136 GLU CA C 136 59.000 59.000 58.944 0.056 25135 9566 1 11 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.718 0.282 25135 9567 1 11 . 1 1 136 136 GLU H H 136 7.720 7.720 7.656 0.064 25135 9568 1 11 . 1 1 137 137 ASP N N 137 118.200 118.200 120.829 -2.629 25135 9569 1 11 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.322 0.138 25135 9570 1 11 . 1 1 137 137 ASP C C 137 178.100 178.100 178.745 -0.645 25135 9571 1 11 . 1 1 137 137 ASP CA C 137 57.200 57.200 58.075 -0.875 25135 9572 1 11 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.595 -0.495 25135 9573 1 11 . 1 1 137 137 ASP H H 137 8.800 8.800 8.805 -0.005 25135 9574 1 11 . 1 1 138 138 GLN N N 138 116.900 116.900 118.031 -1.131 25135 9575 1 11 . 1 1 138 138 GLN HA H 138 3.880 3.880 3.995 -0.115 25135 9576 1 11 . 1 1 138 138 GLN C C 138 178.400 178.400 178.470 -0.070 25135 9577 1 11 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.523 0.377 25135 9578 1 11 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.683 0.017 25135 9579 1 11 . 1 1 138 138 GLN H H 138 7.510 7.510 7.576 -0.066 25135 9580 1 11 . 1 1 139 139 GLN N N 139 119.500 119.500 119.454 0.046 25135 9581 1 11 . 1 1 139 139 GLN HA H 139 4.110 4.110 3.989 0.121 25135 9582 1 11 . 1 1 139 139 GLN C C 139 178.900 178.900 178.866 0.034 25135 9583 1 11 . 1 1 139 139 GLN CA C 139 58.900 58.900 58.970 -0.070 25135 9584 1 11 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.505 0.095 25135 9585 1 11 . 1 1 139 139 GLN H H 139 7.520 7.520 7.653 -0.133 25135 9586 1 11 . 1 1 140 140 ASP N N 140 121.700 121.700 117.935 3.765 25135 9587 1 11 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.662 -0.642 25135 9588 1 11 . 1 1 140 140 ASP C C 140 177.700 177.700 177.068 0.632 25135 9589 1 11 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.009 1.291 25135 9590 1 11 . 1 1 140 140 ASP CB C 140 40.700 40.700 40.880 -0.180 25135 9591 1 11 . 1 1 140 140 ASP H H 140 9.130 9.130 8.365 0.765 25135 9592 1 11 . 1 1 141 141 ALA N N 141 121.000 121.000 123.260 -2.260 25135 9593 1 11 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.174 0.076 25135 9594 1 11 . 1 1 141 141 ALA C C 141 180.800 180.800 178.733 2.067 25135 9595 1 11 . 1 1 141 141 ALA CA C 141 55.400 55.400 54.686 0.714 25135 9596 1 11 . 1 1 141 141 ALA CB C 141 19.500 19.500 19.186 0.314 25135 9597 1 11 . 1 1 141 141 ALA H H 141 8.720 8.720 7.428 1.292 25135 9598 1 11 . 1 1 142 142 ASP N N 142 119.100 119.100 118.849 0.251 25135 9599 1 11 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.326 0.104 25135 9600 1 11 . 1 1 142 142 ASP C C 142 178.600 178.600 178.576 0.024 25135 9601 1 11 . 1 1 142 142 ASP CA C 142 57.600 57.600 57.811 -0.211 25135 9602 1 11 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.618 0.682 25135 9603 1 11 . 1 1 142 142 ASP H H 142 7.850 7.850 8.698 -0.848 25135 9604 1 11 . 1 1 143 143 GLU N N 143 119.500 119.500 117.838 1.662 25135 9605 1 11 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.125 -0.094 25135 9606 1 11 . 1 1 143 143 GLU C C 143 180.100 180.100 178.702 1.398 25135 9607 1 11 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.954 0.746 25135 9608 1 11 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.666 -0.066 25135 9609 1 11 . 1 1 143 143 GLU H H 143 7.860 7.860 7.667 0.193 25135 9610 1 11 . 1 1 144 144 ASP N N 144 121.000 121.000 120.438 0.562 25135 9611 1 11 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.450 0.200 25135 9612 1 11 . 1 1 144 144 ASP C C 144 179.500 179.500 178.363 1.137 25135 9613 1 11 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.324 0.176 25135 9614 1 11 . 1 1 144 144 ASP CB C 144 41.100 41.100 40.780 0.320 25135 9615 1 11 . 1 1 144 144 ASP H H 144 8.840 8.840 7.434 1.406 25135 9616 1 11 . 1 1 145 145 ARG N N 145 121.400 121.400 118.676 2.724 25135 9617 1 11 . 1 1 145 145 ARG HA H 145 4.130 4.130 3.916 0.214 25135 9618 1 11 . 1 1 145 145 ARG C C 145 178.700 178.700 178.716 -0.016 25135 9619 1 11 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.337 0.163 25135 9620 1 11 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.533 0.067 25135 9621 1 11 . 1 1 145 145 ARG H H 145 8.510 8.510 8.164 0.346 25135 9622 1 11 . 1 1 146 146 ARG N N 146 119.400 119.400 118.922 0.478 25135 9623 1 11 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.121 -0.011 25135 9624 1 11 . 1 1 146 146 ARG C C 146 178.400 178.400 178.156 0.244 25135 9625 1 11 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.817 0.583 25135 9626 1 11 . 1 1 146 146 ARG CB C 146 30.200 30.200 29.408 0.792 25135 9627 1 11 . 1 1 146 146 ARG H H 146 7.680 7.680 7.777 -0.097 25135 9628 1 11 . 1 1 147 147 ALA N N 147 120.300 120.300 122.593 -2.293 25135 9629 1 11 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.046 0.264 25135 9630 1 11 . 1 1 147 147 ALA C C 147 179.500 179.500 179.507 -0.007 25135 9631 1 11 . 1 1 147 147 ALA CA C 147 54.100 54.100 54.556 -0.456 25135 9632 1 11 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.251 0.849 25135 9633 1 11 . 1 1 147 147 ALA H H 147 7.840 7.840 8.048 -0.208 25135 9634 1 11 . 1 1 148 148 PHE N N 148 119.900 119.900 116.957 2.943 25135 9635 1 11 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.735 -0.345 25135 9636 1 11 . 1 1 148 148 PHE C C 148 176.900 176.900 177.803 -0.903 25135 9637 1 11 . 1 1 148 148 PHE CA C 148 60.500 60.500 59.873 0.627 25135 9638 1 11 . 1 1 148 148 PHE CB C 148 39.700 39.700 38.880 0.820 25135 9639 1 11 . 1 1 148 148 PHE H H 148 8.210 8.210 7.844 0.366 25135 9640 1 11 . 1 1 149 149 GLN N N 149 118.500 118.500 119.183 -0.683 25135 9641 1 11 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.981 0.149 25135 9642 1 11 . 1 1 149 149 GLN C C 149 176.400 176.400 176.790 -0.390 25135 9643 1 11 . 1 1 149 149 GLN CA C 149 56.900 56.900 58.477 -1.577 25135 9644 1 11 . 1 1 149 149 GLN CB C 149 28.900 28.900 29.471 -0.571 25135 9645 1 11 . 1 1 149 149 GLN H H 149 7.960 7.960 8.540 -0.580 25135 9646 1 11 . 1 1 150 150 MET N N 150 118.000 118.000 110.831 7.169 25135 9647 1 11 . 1 1 150 150 MET HA H 150 4.360 4.360 4.658 -0.298 25135 9648 1 11 . 1 1 150 150 MET C C 150 176.300 176.300 176.103 0.197 25135 9649 1 11 . 1 1 150 150 MET CA C 150 56.000 56.000 55.612 0.388 25135 9650 1 11 . 1 1 150 150 MET CB C 150 32.800 32.800 34.996 -2.196 25135 9651 1 11 . 1 1 150 150 MET H H 150 7.760 7.760 7.467 0.293 25135 9652 1 11 . 1 1 151 151 LEU N N 151 121.200 121.200 122.143 -0.943 25135 9653 1 11 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.613 -0.343 25135 9654 1 11 . 1 1 151 151 LEU C C 151 177.100 177.100 175.691 1.409 25135 9655 1 11 . 1 1 151 151 LEU CA C 151 55.400 55.400 53.743 1.657 25135 9656 1 11 . 1 1 151 151 LEU CB C 151 42.300 42.300 41.257 1.043 25135 9657 1 11 . 1 1 151 151 LEU H H 151 7.690 7.690 7.984 -0.294 25135 9658 1 11 . 1 1 152 152 ARG N N 152 121.800 121.800 125.996 -4.196 25135 9659 1 11 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.405 -0.165 25135 9660 1 11 . 1 1 152 152 ARG C C 152 176.000 176.000 176.082 -0.082 25135 9661 1 11 . 1 1 152 152 ARG CA C 152 56.200 56.200 56.587 -0.387 25135 9662 1 11 . 1 1 152 152 ARG CB C 152 30.900 30.900 29.577 1.323 25135 9663 1 11 . 1 1 152 152 ARG H H 152 8.120 8.120 8.809 -0.689 25135 9664 1 11 . 1 1 153 153 ARG N N 153 123.100 123.100 120.948 2.152 25135 9665 1 11 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.475 -0.115 25135 9666 1 11 . 1 1 153 153 ARG C C 153 174.900 174.900 174.430 0.470 25135 9667 1 11 . 1 1 153 153 ARG CA C 153 56.000 56.000 56.288 -0.288 25135 9668 1 11 . 1 1 153 153 ARG CB C 153 31.000 31.000 30.750 0.250 25135 9669 1 11 . 1 1 153 153 ARG H H 153 8.380 8.380 7.794 0.586 25135 9670 1 12 . 1 1 2 2 GLU N N 2 120.000 120.000 119.938 0.062 25135 9671 1 12 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.038 -0.058 25135 9672 1 12 . 1 1 2 2 GLU C C 2 178.400 178.400 177.686 0.714 25135 9673 1 12 . 1 1 2 2 GLU CA C 2 59.400 59.400 59.343 0.057 25135 9674 1 12 . 1 1 2 2 GLU CB C 2 29.200 29.200 29.297 -0.097 25135 9675 1 12 . 1 1 2 2 GLU H H 2 8.140 8.140 8.870 -0.730 25135 9676 1 12 . 1 1 3 3 ASN N N 3 117.300 117.300 114.799 2.501 25135 9677 1 12 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.721 -0.081 25135 9678 1 12 . 1 1 3 3 ASN C C 3 177.900 177.900 176.510 1.390 25135 9679 1 12 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.583 1.217 25135 9680 1 12 . 1 1 3 3 ASN CB C 3 39.000 39.000 38.262 0.738 25135 9681 1 12 . 1 1 3 3 ASN H H 3 7.960 7.960 8.623 -0.663 25135 9682 1 12 . 1 1 4 4 LEU N N 4 119.700 119.700 122.481 -2.781 25135 9683 1 12 . 1 1 4 4 LEU HA H 4 4.030 4.030 3.995 0.035 25135 9684 1 12 . 1 1 4 4 LEU C C 4 177.900 177.900 178.355 -0.455 25135 9685 1 12 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.691 -0.291 25135 9686 1 12 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.797 0.203 25135 9687 1 12 . 1 1 4 4 LEU H H 4 8.450 8.450 8.117 0.333 25135 9688 1 12 . 1 1 5 5 LYS N N 5 118.200 118.200 116.839 1.361 25135 9689 1 12 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.046 -0.106 25135 9690 1 12 . 1 1 5 5 LYS C C 5 179.200 179.200 179.585 -0.385 25135 9691 1 12 . 1 1 5 5 LYS CA C 5 60.000 60.000 58.606 1.393 25135 9692 1 12 . 1 1 5 5 LYS CB C 5 31.900 31.900 31.489 0.411 25135 9693 1 12 . 1 1 5 5 LYS H H 5 7.940 7.940 7.826 0.114 25135 9694 1 12 . 1 1 6 6 HIS N N 6 118.400 118.400 119.678 -1.278 25135 9695 1 12 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.516 -0.096 25135 9696 1 12 . 1 1 6 6 HIS C C 6 178.200 178.200 177.669 0.531 25135 9697 1 12 . 1 1 6 6 HIS CA C 6 59.100 59.100 58.636 0.464 25135 9698 1 12 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.261 0.639 25135 9699 1 12 . 1 1 6 6 HIS H H 6 7.710 7.710 7.783 -0.073 25135 9700 1 12 . 1 1 7 7 ILE N N 7 120.300 120.300 121.437 -1.137 25135 9701 1 12 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.484 -0.044 25135 9702 1 12 . 1 1 7 7 ILE C C 7 176.500 176.500 177.490 -0.990 25135 9703 1 12 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.605 0.395 25135 9704 1 12 . 1 1 7 7 ILE CB C 7 38.700 38.700 37.944 0.756 25135 9705 1 12 . 1 1 7 7 ILE H H 7 7.950 7.950 8.351 -0.401 25135 9706 1 12 . 1 1 8 8 ILE N N 8 120.200 120.200 119.354 0.846 25135 9707 1 12 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.462 0.118 25135 9708 1 12 . 1 1 8 8 ILE C C 8 178.000 178.000 177.864 0.136 25135 9709 1 12 . 1 1 8 8 ILE CA C 8 65.800 65.800 65.927 -0.126 25135 9710 1 12 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.553 1.048 25135 9711 1 12 . 1 1 8 8 ILE H H 8 8.450 8.450 8.883 -0.433 25135 9712 1 12 . 1 1 9 9 THR N N 9 115.400 115.400 114.574 0.826 25135 9713 1 12 . 1 1 9 9 THR HA H 9 3.880 3.880 3.949 -0.069 25135 9714 1 12 . 1 1 9 9 THR C C 9 176.300 176.300 176.635 -0.335 25135 9715 1 12 . 1 1 9 9 THR CA C 9 66.900 66.900 66.276 0.624 25135 9716 1 12 . 1 1 9 9 THR CB C 9 68.800 68.800 68.909 -0.109 25135 9717 1 12 . 1 1 9 9 THR H H 9 8.120 8.120 7.457 0.663 25135 9718 1 12 . 1 1 10 10 LEU N N 10 122.100 122.100 121.762 0.338 25135 9719 1 12 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.088 -0.038 25135 9720 1 12 . 1 1 10 10 LEU C C 10 178.800 178.800 178.268 0.532 25135 9721 1 12 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.816 1.084 25135 9722 1 12 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.228 1.072 25135 9723 1 12 . 1 1 10 10 LEU H H 10 7.950 7.950 7.561 0.389 25135 9724 1 12 . 1 1 11 11 GLY N N 11 105.800 105.800 105.076 0.724 25135 9725 1 12 . 1 1 11 11 GLY C C 11 174.700 174.700 175.863 -1.163 25135 9726 1 12 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.048 0.452 25135 9727 1 12 . 1 1 11 11 GLY H H 11 8.660 8.660 8.510 0.150 25135 9728 1 12 . 1 1 12 12 GLN N N 12 119.600 119.600 119.096 0.504 25135 9729 1 12 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.425 -0.435 25135 9730 1 12 . 1 1 12 12 GLN C C 12 179.600 179.600 178.519 1.081 25135 9731 1 12 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.365 1.935 25135 9732 1 12 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.664 -0.764 25135 9733 1 12 . 1 1 12 12 GLN H H 12 8.050 8.050 7.528 0.522 25135 9734 1 12 . 1 1 13 13 VAL N N 13 122.600 122.600 122.001 0.599 25135 9735 1 12 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.695 -0.025 25135 9736 1 12 . 1 1 13 13 VAL C C 13 178.500 178.500 177.928 0.572 25135 9737 1 12 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.278 0.422 25135 9738 1 12 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.174 0.726 25135 9739 1 12 . 1 1 13 13 VAL H H 13 8.300 8.300 7.920 0.380 25135 9740 1 12 . 1 1 14 14 ILE N N 14 121.000 121.000 119.458 1.542 25135 9741 1 12 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.760 -0.290 25135 9742 1 12 . 1 1 14 14 ILE C C 14 177.700 177.700 178.427 -0.727 25135 9743 1 12 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.159 0.641 25135 9744 1 12 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.717 0.683 25135 9745 1 12 . 1 1 14 14 ILE H H 14 8.480 8.480 8.520 -0.040 25135 9746 1 12 . 1 1 15 15 HIS N N 15 118.900 118.900 118.132 0.768 25135 9747 1 12 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.417 -0.517 25135 9748 1 12 . 1 1 15 15 HIS C C 15 176.200 176.200 177.088 -0.888 25135 9749 1 12 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.115 2.185 25135 9750 1 12 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.118 -0.118 25135 9751 1 12 . 1 1 15 15 HIS H H 15 8.250 8.250 7.624 0.626 25135 9752 1 12 . 1 1 16 16 LYS N N 16 118.500 118.500 120.404 -1.904 25135 9753 1 12 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.788 -0.118 25135 9754 1 12 . 1 1 16 16 LYS C C 16 179.200 179.200 178.922 0.278 25135 9755 1 12 . 1 1 16 16 LYS CA C 16 59.500 59.500 58.853 0.647 25135 9756 1 12 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.177 0.323 25135 9757 1 12 . 1 1 16 16 LYS H H 16 7.820 7.820 8.257 -0.437 25135 9758 1 12 . 1 1 17 17 ARG N N 17 117.600 117.600 119.169 -1.569 25135 9759 1 12 . 1 1 17 17 ARG HA H 17 3.960 3.960 4.040 -0.080 25135 9760 1 12 . 1 1 17 17 ARG C C 17 180.600 180.600 178.190 2.410 25135 9761 1 12 . 1 1 17 17 ARG CA C 17 59.200 59.200 59.116 0.084 25135 9762 1 12 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.191 0.309 25135 9763 1 12 . 1 1 17 17 ARG H H 17 8.330 8.330 8.886 -0.556 25135 9764 1 12 . 1 1 18 18 CYS N N 18 118.100 118.100 115.755 2.345 25135 9765 1 12 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.270 -0.380 25135 9766 1 12 . 1 1 18 18 CYS C C 18 177.300 177.300 177.548 -0.248 25135 9767 1 12 . 1 1 18 18 CYS CA C 18 65.900 65.900 60.449 5.451 25135 9768 1 12 . 1 1 18 18 CYS CB C 18 27.600 27.600 28.048 -0.448 25135 9769 1 12 . 1 1 18 18 CYS H H 18 8.550 8.550 7.607 0.943 25135 9770 1 12 . 1 1 19 19 GLU N N 19 117.900 117.900 120.199 -2.299 25135 9771 1 12 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.049 -0.239 25135 9772 1 12 . 1 1 19 19 GLU C C 19 177.100 177.100 177.482 -0.382 25135 9773 1 12 . 1 1 19 19 GLU CA C 19 58.300 58.300 58.681 -0.381 25135 9774 1 12 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.629 0.371 25135 9775 1 12 . 1 1 19 19 GLU H H 19 7.540 7.540 7.737 -0.197 25135 9776 1 12 . 1 1 20 20 GLU N N 20 115.400 115.400 114.172 1.228 25135 9777 1 12 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.394 -0.174 25135 9778 1 12 . 1 1 20 20 GLU C C 20 177.100 177.100 177.001 0.099 25135 9779 1 12 . 1 1 20 20 GLU CA C 20 55.900 55.900 55.829 0.071 25135 9780 1 12 . 1 1 20 20 GLU CB C 20 30.600 30.600 29.988 0.612 25135 9781 1 12 . 1 1 20 20 GLU H H 20 7.190 7.190 7.584 -0.394 25135 9782 1 12 . 1 1 21 21 MET N N 21 120.500 120.500 121.222 -0.722 25135 9783 1 12 . 1 1 21 21 MET HA H 21 4.260 4.260 4.388 -0.128 25135 9784 1 12 . 1 1 21 21 MET C C 21 177.800 177.800 176.615 1.185 25135 9785 1 12 . 1 1 21 21 MET CA C 21 56.400 56.400 55.382 1.018 25135 9786 1 12 . 1 1 21 21 MET CB C 21 33.300 33.300 32.719 0.581 25135 9787 1 12 . 1 1 21 21 MET H H 21 6.940 6.940 7.299 -0.359 25135 9788 1 12 . 1 1 22 22 LYS N N 22 120.500 120.500 122.978 -2.478 25135 9789 1 12 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.343 -0.393 25135 9790 1 12 . 1 1 22 22 LYS C C 22 175.400 175.400 175.733 -0.333 25135 9791 1 12 . 1 1 22 22 LYS CA C 22 57.000 57.000 56.197 0.803 25135 9792 1 12 . 1 1 22 22 LYS CB C 22 33.600 33.600 33.207 0.393 25135 9793 1 12 . 1 1 22 22 LYS H H 22 8.760 8.760 8.867 -0.107 25135 9794 1 12 . 1 1 23 23 TYR N N 23 115.500 115.500 117.160 -1.660 25135 9795 1 12 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.769 0.141 25135 9796 1 12 . 1 1 23 23 TYR C C 23 173.700 173.700 174.850 -1.150 25135 9797 1 12 . 1 1 23 23 TYR CA C 23 55.000 55.000 58.163 -3.163 25135 9798 1 12 . 1 1 23 23 TYR CB C 23 41.900 41.900 41.452 0.448 25135 9799 1 12 . 1 1 23 23 TYR H H 23 7.260 7.260 7.760 -0.500 25135 9800 1 12 . 1 1 24 24 CYS N N 24 113.600 113.600 118.033 -4.433 25135 9801 1 12 . 1 1 24 24 CYS HA H 24 3.700 3.700 4.412 -0.712 25135 9802 1 12 . 1 1 24 24 CYS C C 24 174.700 174.700 175.885 -1.185 25135 9803 1 12 . 1 1 24 24 CYS CA C 24 60.400 60.400 59.150 1.250 25135 9804 1 12 . 1 1 24 24 CYS CB C 24 26.100 26.100 25.634 0.466 25135 9805 1 12 . 1 1 24 24 CYS H H 24 8.720 8.720 9.421 -0.701 25135 9806 1 12 . 1 1 25 25 LYS N N 25 115.800 115.800 121.102 -5.302 25135 9807 1 12 . 1 1 25 25 LYS HA H 25 3.580 3.580 4.043 -0.463 25135 9808 1 12 . 1 1 25 25 LYS C C 25 179.800 179.800 178.651 1.149 25135 9809 1 12 . 1 1 25 25 LYS CA C 25 60.700 60.700 59.488 1.212 25135 9810 1 12 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.605 0.695 25135 9811 1 12 . 1 1 25 25 LYS H H 25 8.050 8.050 8.630 -0.580 25135 9812 1 12 . 1 1 26 26 LYS N N 26 121.000 121.000 119.410 1.590 25135 9813 1 12 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.897 0.093 25135 9814 1 12 . 1 1 26 26 LYS C C 26 181.300 181.300 179.401 1.899 25135 9815 1 12 . 1 1 26 26 LYS CA C 26 59.000 59.000 59.970 -0.970 25135 9816 1 12 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.784 -1.384 25135 9817 1 12 . 1 1 26 26 LYS H H 26 10.600 10.600 8.542 2.058 25135 9818 1 12 . 1 1 27 27 GLN N N 27 120.500 120.500 117.645 2.855 25135 9819 1 12 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.413 -0.443 25135 9820 1 12 . 1 1 27 27 GLN C C 27 180.200 180.200 178.388 1.812 25135 9821 1 12 . 1 1 27 27 GLN CA C 27 59.300 59.300 59.436 -0.136 25135 9822 1 12 . 1 1 27 27 GLN CB C 27 32.100 32.100 28.793 3.307 25135 9823 1 12 . 1 1 27 27 GLN H H 27 9.890 9.890 8.283 1.607 25135 9824 1 12 . 1 1 28 28 CYS N N 28 118.800 118.800 118.394 0.406 25135 9825 1 12 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.697 0.513 25135 9826 1 12 . 1 1 28 28 CYS C C 28 176.200 176.200 176.728 -0.528 25135 9827 1 12 . 1 1 28 28 CYS CA C 28 64.300 64.300 61.396 2.904 25135 9828 1 12 . 1 1 28 28 CYS CB C 28 26.800 26.800 27.228 -0.428 25135 9829 1 12 . 1 1 28 28 CYS H H 28 8.550 8.550 7.970 0.580 25135 9830 1 12 . 1 1 29 29 ARG N N 29 119.300 119.300 120.973 -1.673 25135 9831 1 12 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.935 -0.065 25135 9832 1 12 . 1 1 29 29 ARG C C 29 178.900 178.900 178.408 0.492 25135 9833 1 12 . 1 1 29 29 ARG CA C 29 59.300 59.300 58.898 0.402 25135 9834 1 12 . 1 1 29 29 ARG CB C 29 29.200 29.200 28.851 0.349 25135 9835 1 12 . 1 1 29 29 ARG H H 29 8.700 8.700 8.859 -0.159 25135 9836 1 12 . 1 1 30 30 ARG N N 30 119.700 119.700 119.356 0.344 25135 9837 1 12 . 1 1 30 30 ARG HA H 30 3.890 3.890 4.104 -0.214 25135 9838 1 12 . 1 1 30 30 ARG C C 30 178.000 178.000 178.454 -0.454 25135 9839 1 12 . 1 1 30 30 ARG CA C 30 58.200 58.200 59.382 -1.182 25135 9840 1 12 . 1 1 30 30 ARG CB C 30 29.100 29.100 30.011 -0.911 25135 9841 1 12 . 1 1 30 30 ARG H H 30 7.810 7.810 7.235 0.575 25135 9842 1 12 . 1 1 31 31 LEU N N 31 120.600 120.600 121.689 -1.089 25135 9843 1 12 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.843 0.197 25135 9844 1 12 . 1 1 31 31 LEU C C 31 178.400 178.400 178.591 -0.191 25135 9845 1 12 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.549 0.751 25135 9846 1 12 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.447 -0.247 25135 9847 1 12 . 1 1 31 31 LEU H H 31 7.310 7.310 7.854 -0.544 25135 9848 1 12 . 1 1 32 32 GLY N N 32 105.200 105.200 105.263 -0.063 25135 9849 1 12 . 1 1 32 32 GLY C C 32 175.600 175.600 176.105 -0.505 25135 9850 1 12 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.423 0.977 25135 9851 1 12 . 1 1 32 32 GLY H H 32 7.960 7.960 8.497 -0.537 25135 9852 1 12 . 1 1 33 33 HIS N N 33 120.500 120.500 122.133 -1.633 25135 9853 1 12 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.159 0.071 25135 9854 1 12 . 1 1 33 33 HIS C C 33 179.400 179.400 177.955 1.445 25135 9855 1 12 . 1 1 33 33 HIS CA C 33 59.600 59.600 59.294 0.306 25135 9856 1 12 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.162 0.438 25135 9857 1 12 . 1 1 33 33 HIS H H 33 8.340 8.340 7.832 0.508 25135 9858 1 12 . 1 1 34 34 ARG N N 34 121.900 121.900 119.482 2.418 25135 9859 1 12 . 1 1 34 34 ARG HA H 34 3.870 3.870 3.876 -0.006 25135 9860 1 12 . 1 1 34 34 ARG C C 34 179.600 179.600 178.688 0.912 25135 9861 1 12 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.731 -0.231 25135 9862 1 12 . 1 1 34 34 ARG CB C 34 30.100 30.100 29.797 0.303 25135 9863 1 12 . 1 1 34 34 ARG H H 34 8.680 8.680 8.630 0.050 25135 9864 1 12 . 1 1 35 35 VAL N N 35 118.500 118.500 120.372 -1.872 25135 9865 1 12 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.497 -0.087 25135 9866 1 12 . 1 1 35 35 VAL C C 35 177.600 177.600 177.737 -0.137 25135 9867 1 12 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.565 1.235 25135 9868 1 12 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.404 -0.104 25135 9869 1 12 . 1 1 35 35 VAL H H 35 8.500 8.500 8.217 0.283 25135 9870 1 12 . 1 1 36 36 LEU N N 36 118.300 118.300 119.989 -1.689 25135 9871 1 12 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.718 0.182 25135 9872 1 12 . 1 1 36 36 LEU C C 36 179.600 179.600 179.089 0.511 25135 9873 1 12 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.817 0.183 25135 9874 1 12 . 1 1 36 36 LEU CB C 36 41.400 41.400 41.211 0.189 25135 9875 1 12 . 1 1 36 36 LEU H H 36 7.890 7.890 8.646 -0.756 25135 9876 1 12 . 1 1 37 37 GLY N N 37 104.900 104.900 104.994 -0.094 25135 9877 1 12 . 1 1 37 37 GLY C C 37 175.700 175.700 175.284 0.416 25135 9878 1 12 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.790 -0.090 25135 9879 1 12 . 1 1 37 37 GLY H H 37 7.760 7.760 7.872 -0.112 25135 9880 1 12 . 1 1 38 38 LEU N N 38 120.500 120.500 120.003 0.497 25135 9881 1 12 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.761 -0.171 25135 9882 1 12 . 1 1 38 38 LEU C C 38 176.900 176.900 178.045 -1.145 25135 9883 1 12 . 1 1 38 38 LEU CA C 38 56.500 56.500 56.190 0.310 25135 9884 1 12 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.260 -0.659 25135 9885 1 12 . 1 1 38 38 LEU H H 38 7.720 7.720 7.433 0.287 25135 9886 1 12 . 1 1 39 39 ILE N N 39 108.700 108.700 116.294 -7.594 25135 9887 1 12 . 1 1 39 39 ILE HA H 39 4.190 4.190 3.986 0.204 25135 9888 1 12 . 1 1 39 39 ILE C C 39 178.100 178.100 177.056 1.044 25135 9889 1 12 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.574 -0.874 25135 9890 1 12 . 1 1 39 39 ILE CB C 39 38.500 38.500 37.940 0.560 25135 9891 1 12 . 1 1 39 39 ILE H H 39 7.540 7.540 7.441 0.099 25135 9892 1 12 . 1 1 40 40 LYS N N 40 122.800 122.800 122.441 0.359 25135 9893 1 12 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.104 0.326 25135 9894 1 12 . 1 1 40 40 LYS CA C 40 60.700 60.700 60.116 0.584 25135 9895 1 12 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.348 0.052 25135 9896 1 12 . 1 1 40 40 LYS H H 40 7.600 7.600 8.414 -0.814 25135 9897 1 12 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.340 0.090 25135 9898 1 12 . 1 1 41 41 PRO C C 41 178.700 178.700 178.781 -0.081 25135 9899 1 12 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.561 -0.061 25135 9900 1 12 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.366 0.234 25135 9901 1 12 . 1 1 42 42 LEU N N 42 114.400 114.400 119.246 -4.846 25135 9902 1 12 . 1 1 42 42 LEU HA H 42 4.060 4.060 3.976 0.084 25135 9903 1 12 . 1 1 42 42 LEU C C 42 178.800 178.800 179.289 -0.489 25135 9904 1 12 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.822 -0.722 25135 9905 1 12 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.124 -0.824 25135 9906 1 12 . 1 1 42 42 LEU H H 42 7.200 7.200 7.489 -0.289 25135 9907 1 12 . 1 1 43 43 GLU N N 43 119.200 119.200 119.499 -0.299 25135 9908 1 12 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.991 -0.071 25135 9909 1 12 . 1 1 43 43 GLU C C 43 179.100 179.100 178.350 0.750 25135 9910 1 12 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.469 0.031 25135 9911 1 12 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.555 0.545 25135 9912 1 12 . 1 1 43 43 GLU H H 43 8.120 8.120 8.435 -0.315 25135 9913 1 12 . 1 1 44 44 MET N N 44 116.500 116.500 115.579 0.921 25135 9914 1 12 . 1 1 44 44 MET HA H 44 4.310 4.310 4.325 -0.015 25135 9915 1 12 . 1 1 44 44 MET C C 44 177.900 177.900 176.772 1.128 25135 9916 1 12 . 1 1 44 44 MET CA C 44 57.600 57.600 57.087 0.513 25135 9917 1 12 . 1 1 44 44 MET CB C 44 32.500 32.500 32.885 -0.385 25135 9918 1 12 . 1 1 44 44 MET H H 44 7.600 7.600 7.561 0.039 25135 9919 1 12 . 1 1 45 45 LEU N N 45 119.900 119.900 120.281 -0.381 25135 9920 1 12 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.300 -0.150 25135 9921 1 12 . 1 1 45 45 LEU C C 45 178.000 178.000 178.540 -0.540 25135 9922 1 12 . 1 1 45 45 LEU CA C 45 56.600 56.600 58.405 -1.805 25135 9923 1 12 . 1 1 45 45 LEU CB C 45 42.000 42.000 42.630 -0.630 25135 9924 1 12 . 1 1 45 45 LEU H H 45 7.620 7.620 7.769 -0.149 25135 9925 1 12 . 1 1 46 46 GLN N N 46 118.300 118.300 118.684 -0.384 25135 9926 1 12 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.072 -0.052 25135 9927 1 12 . 1 1 46 46 GLN C C 46 176.500 176.500 178.037 -1.537 25135 9928 1 12 . 1 1 46 46 GLN CA C 46 57.700 57.700 58.295 -0.595 25135 9929 1 12 . 1 1 46 46 GLN CB C 46 29.500 29.500 27.837 1.663 25135 9930 1 12 . 1 1 46 46 GLN H H 46 7.950 7.950 8.615 -0.665 25135 9931 1 12 . 1 1 47 47 ASP N N 47 119.000 119.000 119.683 -0.683 25135 9932 1 12 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.351 0.219 25135 9933 1 12 . 1 1 47 47 ASP C C 47 176.900 176.900 177.462 -0.562 25135 9934 1 12 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.787 -1.487 25135 9935 1 12 . 1 1 47 47 ASP CB C 47 41.300 41.300 40.911 0.389 25135 9936 1 12 . 1 1 47 47 ASP H H 47 7.890 7.890 7.896 -0.006 25135 9937 1 12 . 1 1 48 48 GLN N N 48 119.500 119.500 117.466 2.034 25135 9938 1 12 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.286 -0.056 25135 9939 1 12 . 1 1 48 48 GLN C C 48 177.200 177.200 177.295 -0.095 25135 9940 1 12 . 1 1 48 48 GLN CA C 48 56.700 56.700 56.276 0.424 25135 9941 1 12 . 1 1 48 48 GLN CB C 48 29.300 29.300 30.607 -1.306 25135 9942 1 12 . 1 1 48 48 GLN H H 48 8.080 8.080 7.645 0.435 25135 9943 1 12 . 1 1 49 49 GLY N N 49 108.100 108.100 109.447 -1.347 25135 9944 1 12 . 1 1 49 49 GLY C C 49 174.300 174.300 173.902 0.398 25135 9945 1 12 . 1 1 49 49 GLY CA C 49 46.000 46.000 44.792 1.208 25135 9946 1 12 . 1 1 49 49 GLY H H 49 8.270 8.270 8.093 0.177 25135 9947 1 12 . 1 1 50 50 LYS N N 50 120.200 120.200 121.679 -1.479 25135 9948 1 12 . 1 1 50 50 LYS HA H 50 4.320 4.320 3.882 0.438 25135 9949 1 12 . 1 1 50 50 LYS C C 50 176.400 176.400 175.130 1.270 25135 9950 1 12 . 1 1 50 50 LYS CA C 50 56.500 56.500 56.630 -0.130 25135 9951 1 12 . 1 1 50 50 LYS CB C 50 32.900 32.900 31.737 1.163 25135 9952 1 12 . 1 1 50 50 LYS H H 50 8.130 8.130 8.414 -0.284 25135 9953 1 12 . 1 1 51 51 ARG N N 51 121.300 121.300 116.694 4.606 25135 9954 1 12 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.063 0.397 25135 9955 1 12 . 1 1 51 51 ARG C C 51 176.100 176.100 174.270 1.830 25135 9956 1 12 . 1 1 51 51 ARG CA C 51 56.000 56.000 56.829 -0.829 25135 9957 1 12 . 1 1 51 51 ARG CB C 51 31.200 31.200 30.569 0.631 25135 9958 1 12 . 1 1 51 51 ARG H H 51 8.260 8.260 8.081 0.179 25135 9959 1 12 . 1 1 52 52 SER N N 52 116.900 116.900 117.735 -0.835 25135 9960 1 12 . 1 1 52 52 SER HA H 52 4.550 4.550 4.659 -0.109 25135 9961 1 12 . 1 1 52 52 SER C C 52 173.900 173.900 173.971 -0.071 25135 9962 1 12 . 1 1 52 52 SER CA C 52 57.800 57.800 57.618 0.182 25135 9963 1 12 . 1 1 52 52 SER CB C 52 64.300 64.300 63.961 0.339 25135 9964 1 12 . 1 1 52 52 SER H H 52 8.150 8.150 8.500 -0.350 25135 9965 1 12 . 1 1 53 53 VAL N N 53 124.300 124.300 124.835 -0.535 25135 9966 1 12 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.106 0.184 25135 9967 1 12 . 1 1 53 53 VAL CA C 53 60.400 60.400 60.588 -0.188 25135 9968 1 12 . 1 1 53 53 VAL CB C 53 32.500 32.500 32.586 -0.086 25135 9969 1 12 . 1 1 53 53 VAL H H 53 8.420 8.420 8.307 0.113 25135 9970 1 12 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.388 0.102 25135 9971 1 12 . 1 1 54 54 PRO C C 54 176.600 176.600 176.238 0.362 25135 9972 1 12 . 1 1 54 54 PRO CA C 54 62.500 62.500 63.422 -0.922 25135 9973 1 12 . 1 1 54 54 PRO CB C 54 32.600 32.600 31.075 1.525 25135 9974 1 12 . 1 1 55 55 SER N N 55 119.500 119.500 120.593 -1.093 25135 9975 1 12 . 1 1 55 55 SER HA H 55 4.370 4.370 4.506 -0.136 25135 9976 1 12 . 1 1 55 55 SER C C 55 175.500 175.500 175.675 -0.175 25135 9977 1 12 . 1 1 55 55 SER CA C 55 58.200 58.200 57.824 0.376 25135 9978 1 12 . 1 1 55 55 SER CB C 55 64.200 64.200 64.708 -0.508 25135 9979 1 12 . 1 1 55 55 SER H H 55 8.970 8.970 7.951 1.019 25135 9980 1 12 . 1 1 56 56 GLU N N 56 123.000 123.000 122.551 0.449 25135 9981 1 12 . 1 1 56 56 GLU HA H 56 4.140 4.140 4.064 0.076 25135 9982 1 12 . 1 1 56 56 GLU C C 56 179.300 179.300 178.348 0.952 25135 9983 1 12 . 1 1 56 56 GLU CA C 56 59.700 59.700 59.545 0.155 25135 9984 1 12 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.520 -0.320 25135 9985 1 12 . 1 1 56 56 GLU H H 56 9.030 9.030 9.012 0.018 25135 9986 1 12 . 1 1 57 57 LYS N N 57 118.900 118.900 117.897 1.003 25135 9987 1 12 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.108 -0.108 25135 9988 1 12 . 1 1 57 57 LYS C C 57 179.400 179.400 178.112 1.288 25135 9989 1 12 . 1 1 57 57 LYS CA C 57 59.600 59.600 59.138 0.462 25135 9990 1 12 . 1 1 57 57 LYS CB C 57 32.700 32.700 31.876 0.824 25135 9991 1 12 . 1 1 57 57 LYS H H 57 8.150 8.150 8.350 -0.200 25135 9992 1 12 . 1 1 58 58 LEU N N 58 122.800 122.800 120.824 1.976 25135 9993 1 12 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.106 -0.006 25135 9994 1 12 . 1 1 58 58 LEU C C 58 178.200 178.200 178.352 -0.152 25135 9995 1 12 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.069 0.231 25135 9996 1 12 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.287 -0.787 25135 9997 1 12 . 1 1 58 58 LEU H H 58 8.420 8.420 7.863 0.557 25135 9998 1 12 . 1 1 59 59 THR N N 59 117.800 117.800 113.227 4.573 25135 9999 1 12 . 1 1 59 59 THR HA H 59 3.730 3.730 3.978 -0.248 25135 10000 1 12 . 1 1 59 59 THR C C 59 176.800 176.800 176.388 0.412 25135 10001 1 12 . 1 1 59 59 THR CA C 59 67.500 67.500 66.863 0.637 25135 10002 1 12 . 1 1 59 59 THR CB C 59 68.400 68.400 68.439 -0.039 25135 10003 1 12 . 1 1 59 59 THR H H 59 8.600 8.600 7.973 0.627 25135 10004 1 12 . 1 1 60 60 THR N N 60 118.300 118.300 117.112 1.188 25135 10005 1 12 . 1 1 60 60 THR HA H 60 3.980 3.980 4.065 -0.085 25135 10006 1 12 . 1 1 60 60 THR C C 60 176.400 176.400 176.178 0.222 25135 10007 1 12 . 1 1 60 60 THR CA C 60 66.900 66.900 66.104 0.796 25135 10008 1 12 . 1 1 60 60 THR CB C 60 68.400 68.400 68.669 -0.269 25135 10009 1 12 . 1 1 60 60 THR H H 60 8.390 8.390 7.639 0.751 25135 10010 1 12 . 1 1 61 61 ALA N N 61 124.900 124.900 124.745 0.155 25135 10011 1 12 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.102 0.018 25135 10012 1 12 . 1 1 61 61 ALA C C 61 180.000 180.000 179.593 0.407 25135 10013 1 12 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.314 0.486 25135 10014 1 12 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.316 0.484 25135 10015 1 12 . 1 1 61 61 ALA H H 61 8.090 8.090 7.832 0.258 25135 10016 1 12 . 1 1 62 62 MET N N 62 118.300 118.300 117.594 0.706 25135 10017 1 12 . 1 1 62 62 MET HA H 62 4.110 4.110 4.246 -0.136 25135 10018 1 12 . 1 1 62 62 MET C C 62 178.300 178.300 178.735 -0.435 25135 10019 1 12 . 1 1 62 62 MET CA C 62 59.600 59.600 59.763 -0.163 25135 10020 1 12 . 1 1 62 62 MET CB C 62 32.500 32.500 32.273 0.227 25135 10021 1 12 . 1 1 62 62 MET H H 62 8.820 8.820 8.734 0.086 25135 10022 1 12 . 1 1 63 63 ASN N N 63 119.500 119.500 118.503 0.997 25135 10023 1 12 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.538 0.042 25135 10024 1 12 . 1 1 63 63 ASN C C 63 179.000 179.000 177.856 1.144 25135 10025 1 12 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.640 -0.340 25135 10026 1 12 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.265 -0.565 25135 10027 1 12 . 1 1 63 63 ASN H H 63 8.320 8.320 8.848 -0.528 25135 10028 1 12 . 1 1 64 64 ARG N N 64 122.500 122.500 120.612 1.888 25135 10029 1 12 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.159 0.031 25135 10030 1 12 . 1 1 64 64 ARG C C 64 179.300 179.300 179.107 0.193 25135 10031 1 12 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.535 0.165 25135 10032 1 12 . 1 1 64 64 ARG CB C 64 30.700 30.700 30.158 0.542 25135 10033 1 12 . 1 1 64 64 ARG H H 64 8.560 8.560 8.152 0.408 25135 10034 1 12 . 1 1 65 65 PHE N N 65 123.100 123.100 122.310 0.790 25135 10035 1 12 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.326 0.144 25135 10036 1 12 . 1 1 65 65 PHE C C 65 176.400 176.400 176.912 -0.512 25135 10037 1 12 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.367 1.233 25135 10038 1 12 . 1 1 65 65 PHE CB C 65 39.400 39.400 38.964 0.436 25135 10039 1 12 . 1 1 65 65 PHE H H 65 8.560 8.560 8.819 -0.259 25135 10040 1 12 . 1 1 66 66 LYS N N 66 119.800 119.800 119.697 0.103 25135 10041 1 12 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.769 -0.149 25135 10042 1 12 . 1 1 66 66 LYS C C 66 177.600 177.600 178.819 -1.219 25135 10043 1 12 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.681 1.019 25135 10044 1 12 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.294 0.206 25135 10045 1 12 . 1 1 66 66 LYS H H 66 8.610 8.610 8.917 -0.307 25135 10046 1 12 . 1 1 67 67 ALA N N 67 119.000 119.000 121.193 -2.193 25135 10047 1 12 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.143 0.087 25135 10048 1 12 . 1 1 67 67 ALA C C 67 180.400 180.400 179.133 1.267 25135 10049 1 12 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.651 0.349 25135 10050 1 12 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.584 -0.584 25135 10051 1 12 . 1 1 67 67 ALA H H 67 8.000 8.000 8.309 -0.309 25135 10052 1 12 . 1 1 68 68 ALA N N 68 122.200 122.200 122.057 0.143 25135 10053 1 12 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.090 0.100 25135 10054 1 12 . 1 1 68 68 ALA C C 68 179.800 179.800 179.823 -0.023 25135 10055 1 12 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.878 0.322 25135 10056 1 12 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.321 -0.521 25135 10057 1 12 . 1 1 68 68 ALA H H 68 7.950 7.950 8.369 -0.419 25135 10058 1 12 . 1 1 69 69 LEU N N 69 118.900 118.900 119.132 -0.232 25135 10059 1 12 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.835 0.015 25135 10060 1 12 . 1 1 69 69 LEU C C 69 179.200 179.200 179.073 0.127 25135 10061 1 12 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.212 -0.712 25135 10062 1 12 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.506 -0.106 25135 10063 1 12 . 1 1 69 69 LEU H H 69 8.020 8.020 8.645 -0.625 25135 10064 1 12 . 1 1 70 70 GLU N N 70 120.500 120.500 117.710 2.790 25135 10065 1 12 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.878 0.062 25135 10066 1 12 . 1 1 70 70 GLU C C 70 180.500 180.500 179.190 1.310 25135 10067 1 12 . 1 1 70 70 GLU CA C 70 59.900 59.900 59.641 0.259 25135 10068 1 12 . 1 1 70 70 GLU CB C 70 29.200 29.200 28.834 0.366 25135 10069 1 12 . 1 1 70 70 GLU H H 70 8.590 8.590 7.783 0.807 25135 10070 1 12 . 1 1 71 71 GLU N N 71 122.200 122.200 118.936 3.264 25135 10071 1 12 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.119 -0.049 25135 10072 1 12 . 1 1 71 71 GLU C C 71 179.600 179.600 178.719 0.881 25135 10073 1 12 . 1 1 71 71 GLU CA C 71 59.400 59.400 59.121 0.279 25135 10074 1 12 . 1 1 71 71 GLU CB C 71 29.400 29.400 28.518 0.882 25135 10075 1 12 . 1 1 71 71 GLU H H 71 8.300 8.300 7.596 0.704 25135 10076 1 12 . 1 1 72 72 ALA N N 72 122.800 122.800 123.170 -0.370 25135 10077 1 12 . 1 1 72 72 ALA HA H 72 3.890 3.890 4.095 -0.205 25135 10078 1 12 . 1 1 72 72 ALA C C 72 178.500 178.500 180.020 -1.520 25135 10079 1 12 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.200 0.500 25135 10080 1 12 . 1 1 72 72 ALA CB C 72 17.200 17.200 18.096 -0.896 25135 10081 1 12 . 1 1 72 72 ALA H H 72 8.330 8.330 7.730 0.600 25135 10082 1 12 . 1 1 73 73 ASN N N 73 115.700 115.700 117.243 -1.543 25135 10083 1 12 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.372 0.078 25135 10084 1 12 . 1 1 73 73 ASN C C 73 177.600 177.600 178.061 -0.461 25135 10085 1 12 . 1 1 73 73 ASN CA C 73 56.300 56.300 56.078 0.222 25135 10086 1 12 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.190 0.710 25135 10087 1 12 . 1 1 73 73 ASN H H 73 8.460 8.460 8.760 -0.300 25135 10088 1 12 . 1 1 74 74 GLY N N 74 105.500 105.500 108.420 -2.920 25135 10089 1 12 . 1 1 74 74 GLY C C 74 177.100 177.100 176.184 0.916 25135 10090 1 12 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.846 0.153 25135 10091 1 12 . 1 1 74 74 GLY H H 74 8.070 8.070 8.499 -0.429 25135 10092 1 12 . 1 1 75 75 GLU N N 75 123.500 123.500 122.709 0.791 25135 10093 1 12 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.858 0.252 25135 10094 1 12 . 1 1 75 75 GLU C C 75 178.500 178.500 179.348 -0.848 25135 10095 1 12 . 1 1 75 75 GLU CA C 75 58.700 58.700 59.632 -0.932 25135 10096 1 12 . 1 1 75 75 GLU CB C 75 29.900 29.900 29.717 0.183 25135 10097 1 12 . 1 1 75 75 GLU H H 75 8.110 8.110 8.515 -0.405 25135 10098 1 12 . 1 1 76 76 ILE N N 76 120.300 120.300 118.502 1.798 25135 10099 1 12 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.925 -0.105 25135 10100 1 12 . 1 1 76 76 ILE C C 76 178.300 178.300 177.065 1.235 25135 10101 1 12 . 1 1 76 76 ILE CA C 76 65.500 65.500 64.709 0.791 25135 10102 1 12 . 1 1 76 76 ILE CB C 76 37.900 37.900 37.973 -0.073 25135 10103 1 12 . 1 1 76 76 ILE H H 76 8.330 8.330 8.421 -0.091 25135 10104 1 12 . 1 1 77 77 GLU N N 77 119.400 119.400 119.202 0.198 25135 10105 1 12 . 1 1 77 77 GLU HA H 77 3.920 3.920 4.011 -0.091 25135 10106 1 12 . 1 1 77 77 GLU C C 77 180.200 180.200 178.971 1.229 25135 10107 1 12 . 1 1 77 77 GLU CA C 77 59.700 59.700 59.030 0.670 25135 10108 1 12 . 1 1 77 77 GLU CB C 77 29.300 29.300 29.946 -0.646 25135 10109 1 12 . 1 1 77 77 GLU H H 77 7.860 7.860 7.882 -0.022 25135 10110 1 12 . 1 1 78 78 LYS N N 78 121.600 121.600 119.326 2.274 25135 10111 1 12 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.023 -0.123 25135 10112 1 12 . 1 1 78 78 LYS C C 78 179.200 179.200 178.583 0.617 25135 10113 1 12 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.596 1.304 25135 10114 1 12 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.177 0.123 25135 10115 1 12 . 1 1 78 78 LYS H H 78 7.760 7.760 8.519 -0.759 25135 10116 1 12 . 1 1 79 79 PHE N N 79 115.900 115.900 115.900 0.000 25135 10117 1 12 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.558 0.122 25135 10118 1 12 . 1 1 79 79 PHE C C 79 174.100 174.100 176.175 -2.075 25135 10119 1 12 . 1 1 79 79 PHE CA C 79 58.200 58.200 57.189 1.011 25135 10120 1 12 . 1 1 79 79 PHE CB C 79 36.900 36.900 38.839 -1.939 25135 10121 1 12 . 1 1 79 79 PHE H H 79 8.170 8.170 7.598 0.572 25135 10122 1 12 . 1 1 80 80 SER N N 80 113.300 113.300 114.174 -0.874 25135 10123 1 12 . 1 1 80 80 SER HA H 80 4.500 4.500 4.360 0.140 25135 10124 1 12 . 1 1 80 80 SER C C 80 173.700 173.700 174.888 -1.188 25135 10125 1 12 . 1 1 80 80 SER CA C 80 60.500 60.500 59.577 0.923 25135 10126 1 12 . 1 1 80 80 SER CB C 80 63.400 63.400 64.149 -0.749 25135 10127 1 12 . 1 1 80 80 SER H H 80 7.700 7.700 7.560 0.140 25135 10128 1 12 . 1 1 81 81 ASN N N 81 119.500 119.500 121.340 -1.840 25135 10129 1 12 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.685 0.285 25135 10130 1 12 . 1 1 81 81 ASN CA C 81 52.100 52.100 52.769 -0.669 25135 10131 1 12 . 1 1 81 81 ASN CB C 81 40.300 40.300 39.528 0.772 25135 10132 1 12 . 1 1 81 81 ASN H H 81 7.290 7.290 7.627 -0.337 25135 10133 1 12 . 1 1 82 82 ARG N N 82 127.400 127.400 127.815 -0.415 25135 10134 1 12 . 1 1 82 82 ARG HA H 82 3.590 3.590 2.849 0.741 25135 10135 1 12 . 1 1 82 82 ARG C C 82 177.700 177.700 177.701 -0.001 25135 10136 1 12 . 1 1 82 82 ARG CA C 82 59.800 59.800 58.743 1.057 25135 10137 1 12 . 1 1 82 82 ARG CB C 82 30.100 30.100 28.777 1.323 25135 10138 1 12 . 1 1 82 82 ARG H H 82 9.050 9.050 8.639 0.411 25135 10139 1 12 . 1 1 83 83 SER N N 83 114.600 114.600 112.613 1.987 25135 10140 1 12 . 1 1 83 83 SER HA H 83 3.930 3.930 4.192 -0.262 25135 10141 1 12 . 1 1 83 83 SER C C 83 177.100 177.100 175.834 1.266 25135 10142 1 12 . 1 1 83 83 SER CA C 83 62.200 62.200 61.063 1.137 25135 10143 1 12 . 1 1 83 83 SER CB C 83 62.000 62.000 62.742 -0.742 25135 10144 1 12 . 1 1 83 83 SER H H 83 8.390 8.390 8.307 0.083 25135 10145 1 12 . 1 1 84 84 ASN N N 84 119.700 119.700 119.547 0.153 25135 10146 1 12 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.693 -0.093 25135 10147 1 12 . 1 1 84 84 ASN C C 84 179.100 179.100 177.642 1.458 25135 10148 1 12 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.580 -0.180 25135 10149 1 12 . 1 1 84 84 ASN CB C 84 37.600 37.600 38.864 -1.264 25135 10150 1 12 . 1 1 84 84 ASN H H 84 7.980 7.980 8.041 -0.061 25135 10151 1 12 . 1 1 85 85 ILE N N 85 122.100 122.100 121.714 0.386 25135 10152 1 12 . 1 1 85 85 ILE HA H 85 3.820 3.820 4.047 -0.227 25135 10153 1 12 . 1 1 85 85 ILE C C 85 176.900 176.900 177.546 -0.646 25135 10154 1 12 . 1 1 85 85 ILE CA C 85 64.700 64.700 65.450 -0.750 25135 10155 1 12 . 1 1 85 85 ILE CB C 85 37.400 37.400 36.940 0.460 25135 10156 1 12 . 1 1 85 85 ILE H H 85 7.760 7.760 7.973 -0.213 25135 10157 1 12 . 1 1 86 86 CYS N N 86 119.200 119.200 118.125 1.075 25135 10158 1 12 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.734 0.206 25135 10159 1 12 . 1 1 86 86 CYS C C 86 177.400 177.400 177.027 0.373 25135 10160 1 12 . 1 1 86 86 CYS CA C 86 63.800 63.800 62.821 0.979 25135 10161 1 12 . 1 1 86 86 CYS CB C 86 26.900 26.900 27.100 -0.200 25135 10162 1 12 . 1 1 86 86 CYS H H 86 8.330 8.330 7.971 0.359 25135 10163 1 12 . 1 1 87 87 ARG N N 87 119.200 119.200 118.461 0.739 25135 10164 1 12 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.161 -0.141 25135 10165 1 12 . 1 1 87 87 ARG C C 87 178.500 178.500 178.496 0.004 25135 10166 1 12 . 1 1 87 87 ARG CA C 87 59.500 59.500 59.268 0.232 25135 10167 1 12 . 1 1 87 87 ARG CB C 87 30.300 30.300 30.396 -0.096 25135 10168 1 12 . 1 1 87 87 ARG H H 87 7.900 7.900 7.561 0.339 25135 10169 1 12 . 1 1 88 88 PHE N N 88 120.300 120.300 121.935 -1.635 25135 10170 1 12 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.317 -0.097 25135 10171 1 12 . 1 1 88 88 PHE C C 88 177.200 177.200 177.030 0.170 25135 10172 1 12 . 1 1 88 88 PHE CA C 88 61.500 61.500 60.760 0.740 25135 10173 1 12 . 1 1 88 88 PHE CB C 88 39.800 39.800 38.862 0.938 25135 10174 1 12 . 1 1 88 88 PHE H H 88 7.760 7.760 8.465 -0.705 25135 10175 1 12 . 1 1 89 89 LEU N N 89 117.900 117.900 119.143 -1.243 25135 10176 1 12 . 1 1 89 89 LEU HA H 89 3.640 3.640 2.849 0.791 25135 10177 1 12 . 1 1 89 89 LEU C C 89 178.700 178.700 179.041 -0.341 25135 10178 1 12 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.515 -0.115 25135 10179 1 12 . 1 1 89 89 LEU CB C 89 41.600 41.600 40.713 0.887 25135 10180 1 12 . 1 1 89 89 LEU H H 89 8.590 8.590 8.181 0.409 25135 10181 1 12 . 1 1 90 90 THR N N 90 112.000 112.000 112.796 -0.796 25135 10182 1 12 . 1 1 90 90 THR HA H 90 3.980 3.980 3.893 0.087 25135 10183 1 12 . 1 1 90 90 THR C C 90 174.900 174.900 175.546 -0.646 25135 10184 1 12 . 1 1 90 90 THR CA C 90 65.200 65.200 65.052 0.147 25135 10185 1 12 . 1 1 90 90 THR CB C 90 69.300 69.300 69.057 0.243 25135 10186 1 12 . 1 1 90 90 THR H H 90 7.690 7.690 7.278 0.412 25135 10187 1 12 . 1 1 91 91 ALA N N 91 122.400 122.400 121.005 1.395 25135 10188 1 12 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.183 0.087 25135 10189 1 12 . 1 1 91 91 ALA C C 91 177.500 177.500 177.546 -0.046 25135 10190 1 12 . 1 1 91 91 ALA CA C 91 53.000 53.000 52.919 0.081 25135 10191 1 12 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.129 0.871 25135 10192 1 12 . 1 1 91 91 ALA H H 91 7.220 7.220 7.705 -0.485 25135 10193 1 12 . 1 1 92 92 SER N N 92 112.900 112.900 112.289 0.611 25135 10194 1 12 . 1 1 92 92 SER HA H 92 4.130 4.130 4.134 -0.004 25135 10195 1 12 . 1 1 92 92 SER CA C 92 57.600 57.600 58.541 -0.941 25135 10196 1 12 . 1 1 92 92 SER CB C 92 64.000 64.000 61.446 2.554 25135 10197 1 12 . 1 1 92 92 SER H H 92 7.510 7.510 7.956 -0.446 25135 10198 1 12 . 1 1 93 93 GLN N N 93 125.700 125.700 121.307 4.393 25135 10199 1 12 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.175 0.025 25135 10200 1 12 . 1 1 93 93 GLN C C 93 176.700 176.700 176.358 0.342 25135 10201 1 12 . 1 1 93 93 GLN CA C 93 57.700 57.700 59.166 -1.466 25135 10202 1 12 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.542 -0.542 25135 10203 1 12 . 1 1 93 93 GLN H H 93 8.710 8.710 8.118 0.592 25135 10204 1 12 . 1 1 94 94 ASP N N 94 116.400 116.400 114.483 1.917 25135 10205 1 12 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.876 -0.316 25135 10206 1 12 . 1 1 94 94 ASP CA C 94 54.000 54.000 53.985 0.015 25135 10207 1 12 . 1 1 94 94 ASP CB C 94 41.700 41.700 41.701 -0.001 25135 10208 1 12 . 1 1 94 94 ASP H H 94 7.800 7.800 8.818 -1.018 25135 10209 1 12 . 1 1 95 95 LYS N N 95 114.300 114.300 114.585 -0.285 25135 10210 1 12 . 1 1 95 95 LYS H H 95 8.290 8.290 8.615 -0.325 25135 10211 1 12 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.427 -0.107 25135 10212 1 12 . 1 1 96 96 ILE C C 96 177.000 177.000 176.839 0.161 25135 10213 1 12 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.879 0.921 25135 10214 1 12 . 1 1 96 96 ILE CB C 96 38.100 38.100 39.565 -1.465 25135 10215 1 12 . 1 1 97 97 LEU N N 97 131.100 131.100 127.385 3.715 25135 10216 1 12 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.402 -0.282 25135 10217 1 12 . 1 1 97 97 LEU C C 97 177.200 177.200 177.889 -0.689 25135 10218 1 12 . 1 1 97 97 LEU CA C 97 58.000 58.000 58.455 -0.455 25135 10219 1 12 . 1 1 97 97 LEU CB C 97 42.900 42.900 42.016 0.884 25135 10220 1 12 . 1 1 97 97 LEU H H 97 8.620 8.620 9.061 -0.441 25135 10221 1 12 . 1 1 98 98 PHE N N 98 113.600 113.600 112.328 1.272 25135 10222 1 12 . 1 1 98 98 PHE HA H 98 5.100 5.100 4.901 0.199 25135 10223 1 12 . 1 1 98 98 PHE C C 98 175.400 175.400 175.160 0.240 25135 10224 1 12 . 1 1 98 98 PHE CA C 98 55.700 55.700 54.872 0.828 25135 10225 1 12 . 1 1 98 98 PHE CB C 98 37.600 37.600 37.285 0.315 25135 10226 1 12 . 1 1 98 98 PHE H H 98 8.450 8.450 7.864 0.586 25135 10227 1 12 . 1 1 99 99 LYS N N 99 119.500 119.500 123.769 -4.269 25135 10228 1 12 . 1 1 99 99 LYS HA H 99 3.880 3.880 3.851 0.029 25135 10229 1 12 . 1 1 99 99 LYS C C 99 178.900 178.900 177.830 1.070 25135 10230 1 12 . 1 1 99 99 LYS CA C 99 61.100 61.100 60.146 0.954 25135 10231 1 12 . 1 1 99 99 LYS CB C 99 33.500 33.500 32.541 0.959 25135 10232 1 12 . 1 1 99 99 LYS H H 99 6.790 6.790 7.261 -0.471 25135 10233 1 12 . 1 1 100 100 ASP N N 100 117.800 117.800 119.496 -1.696 25135 10234 1 12 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.463 0.147 25135 10235 1 12 . 1 1 100 100 ASP C C 100 179.000 179.000 178.524 0.476 25135 10236 1 12 . 1 1 100 100 ASP CA C 100 57.800 57.800 56.891 0.909 25135 10237 1 12 . 1 1 100 100 ASP CB C 100 40.400 40.400 40.084 0.317 25135 10238 1 12 . 1 1 100 100 ASP H H 100 8.520 8.520 8.715 -0.195 25135 10239 1 12 . 1 1 101 101 VAL N N 101 122.600 122.600 118.891 3.709 25135 10240 1 12 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.823 0.037 25135 10241 1 12 . 1 1 101 101 VAL C C 101 177.100 177.100 178.019 -0.919 25135 10242 1 12 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.323 -0.623 25135 10243 1 12 . 1 1 101 101 VAL CB C 101 32.300 32.300 31.926 0.374 25135 10244 1 12 . 1 1 101 101 VAL H H 101 8.210 8.210 7.842 0.368 25135 10245 1 12 . 1 1 102 102 ASN N N 102 121.000 121.000 118.376 2.624 25135 10246 1 12 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.853 -0.293 25135 10247 1 12 . 1 1 102 102 ASN C C 102 178.500 178.500 178.670 -0.170 25135 10248 1 12 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.581 -0.382 25135 10249 1 12 . 1 1 102 102 ASN CB C 102 37.900 37.900 38.407 -0.506 25135 10250 1 12 . 1 1 102 102 ASN H H 102 9.060 9.060 8.091 0.969 25135 10251 1 12 . 1 1 103 103 ARG N N 103 120.700 120.700 118.720 1.980 25135 10252 1 12 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.127 0.033 25135 10253 1 12 . 1 1 103 103 ARG C C 103 177.900 177.900 178.050 -0.150 25135 10254 1 12 . 1 1 103 103 ARG CA C 103 59.100 59.100 59.143 -0.043 25135 10255 1 12 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.156 -0.256 25135 10256 1 12 . 1 1 103 103 ARG H H 103 7.640 7.640 8.152 -0.512 25135 10257 1 12 . 1 1 104 104 LYS N N 104 119.700 119.700 120.689 -0.989 25135 10258 1 12 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.298 -0.108 25135 10259 1 12 . 1 1 104 104 LYS C C 104 179.300 179.300 178.847 0.453 25135 10260 1 12 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.107 0.993 25135 10261 1 12 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.713 -0.213 25135 10262 1 12 . 1 1 104 104 LYS H H 104 7.960 7.960 7.896 0.064 25135 10263 1 12 . 1 1 105 105 LEU N N 105 118.200 118.200 120.926 -2.726 25135 10264 1 12 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.217 -0.177 25135 10265 1 12 . 1 1 105 105 LEU C C 105 178.400 178.400 178.619 -0.219 25135 10266 1 12 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.112 0.388 25135 10267 1 12 . 1 1 105 105 LEU CB C 105 42.500 42.500 41.913 0.587 25135 10268 1 12 . 1 1 105 105 LEU H H 105 8.990 8.990 9.091 -0.101 25135 10269 1 12 . 1 1 106 106 SER N N 106 111.700 111.700 114.950 -3.250 25135 10270 1 12 . 1 1 106 106 SER HA H 106 3.870 3.870 4.463 -0.593 25135 10271 1 12 . 1 1 106 106 SER C C 106 177.500 177.500 176.379 1.121 25135 10272 1 12 . 1 1 106 106 SER CA C 106 61.400 61.400 62.074 -0.674 25135 10273 1 12 . 1 1 106 106 SER CB C 106 62.600 62.600 62.901 -0.301 25135 10274 1 12 . 1 1 106 106 SER H H 106 7.980 7.980 7.935 0.045 25135 10275 1 12 . 1 1 107 107 ASP N N 107 122.000 122.000 122.228 -0.228 25135 10276 1 12 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.358 0.082 25135 10277 1 12 . 1 1 107 107 ASP C C 107 179.700 179.700 178.674 1.026 25135 10278 1 12 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.448 0.452 25135 10279 1 12 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.965 -0.365 25135 10280 1 12 . 1 1 107 107 ASP H H 107 8.500 8.500 7.681 0.819 25135 10281 1 12 . 1 1 108 108 VAL N N 108 119.200 119.200 119.142 0.058 25135 10282 1 12 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.734 0.276 25135 10283 1 12 . 1 1 108 108 VAL C C 108 178.400 178.400 177.589 0.811 25135 10284 1 12 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.214 -0.614 25135 10285 1 12 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.679 -0.179 25135 10286 1 12 . 1 1 108 108 VAL H H 108 8.830 8.830 7.657 1.173 25135 10287 1 12 . 1 1 109 109 TRP N N 109 121.900 121.900 121.193 0.707 25135 10288 1 12 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.937 0.333 25135 10289 1 12 . 1 1 109 109 TRP C C 109 178.000 178.000 178.005 -0.005 25135 10290 1 12 . 1 1 109 109 TRP CA C 109 60.100 60.100 59.723 0.377 25135 10291 1 12 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.634 0.066 25135 10292 1 12 . 1 1 109 109 TRP H H 109 8.710 8.710 7.798 0.912 25135 10293 1 12 . 1 1 110 110 LYS N N 110 119.500 119.500 118.532 0.968 25135 10294 1 12 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.740 -0.110 25135 10295 1 12 . 1 1 110 110 LYS C C 110 178.000 178.000 179.094 -1.094 25135 10296 1 12 . 1 1 110 110 LYS CA C 110 60.500 60.500 59.812 0.688 25135 10297 1 12 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.088 0.112 25135 10298 1 12 . 1 1 110 110 LYS H H 110 8.010 8.010 7.777 0.233 25135 10299 1 12 . 1 1 111 111 GLU N N 111 116.700 116.700 118.247 -1.547 25135 10300 1 12 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.119 -0.109 25135 10301 1 12 . 1 1 111 111 GLU C C 111 178.400 178.400 178.645 -0.245 25135 10302 1 12 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.190 0.610 25135 10303 1 12 . 1 1 111 111 GLU CB C 111 30.400 30.400 30.042 0.358 25135 10304 1 12 . 1 1 111 111 GLU H H 111 7.000 7.000 7.689 -0.689 25135 10305 1 12 . 1 1 112 112 LEU N N 112 119.000 119.000 121.508 -2.508 25135 10306 1 12 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.174 -0.434 25135 10307 1 12 . 1 1 112 112 LEU C C 112 177.600 177.600 177.595 0.005 25135 10308 1 12 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.200 0.600 25135 10309 1 12 . 1 1 112 112 LEU CB C 112 42.200 42.200 42.071 0.129 25135 10310 1 12 . 1 1 112 112 LEU H H 112 8.380 8.380 8.249 0.131 25135 10311 1 12 . 1 1 113 113 SER N N 113 113.100 113.100 114.890 -1.790 25135 10312 1 12 . 1 1 113 113 SER HA H 113 3.190 3.190 3.488 -0.298 25135 10313 1 12 . 1 1 113 113 SER C C 113 176.300 176.300 176.041 0.259 25135 10314 1 12 . 1 1 113 113 SER CA C 113 61.600 61.600 61.044 0.556 25135 10315 1 12 . 1 1 113 113 SER CB C 113 61.800 61.800 62.033 -0.233 25135 10316 1 12 . 1 1 113 113 SER H H 113 8.490 8.490 8.005 0.485 25135 10317 1 12 . 1 1 114 114 LEU N N 114 121.500 121.500 121.271 0.229 25135 10318 1 12 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.055 -0.035 25135 10319 1 12 . 1 1 114 114 LEU C C 114 179.100 179.100 177.461 1.639 25135 10320 1 12 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.160 0.840 25135 10321 1 12 . 1 1 114 114 LEU CB C 114 41.800 41.800 40.717 1.083 25135 10322 1 12 . 1 1 114 114 LEU H H 114 6.810 6.810 7.117 -0.307 25135 10323 1 12 . 1 1 115 115 LEU N N 115 118.200 118.200 118.457 -0.257 25135 10324 1 12 . 1 1 115 115 LEU HA H 115 4.060 4.060 3.986 0.074 25135 10325 1 12 . 1 1 115 115 LEU C C 115 179.600 179.600 179.203 0.397 25135 10326 1 12 . 1 1 115 115 LEU CA C 115 57.700 57.700 56.959 0.741 25135 10327 1 12 . 1 1 115 115 LEU CB C 115 43.100 43.100 41.874 1.226 25135 10328 1 12 . 1 1 115 115 LEU H H 115 7.270 7.270 7.123 0.147 25135 10329 1 12 . 1 1 116 116 LEU N N 116 118.700 118.700 120.008 -1.308 25135 10330 1 12 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.837 0.013 25135 10331 1 12 . 1 1 116 116 LEU C C 116 179.300 179.300 179.218 0.082 25135 10332 1 12 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.183 -0.583 25135 10333 1 12 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.559 -0.159 25135 10334 1 12 . 1 1 116 116 LEU H H 116 8.440 8.440 8.158 0.282 25135 10335 1 12 . 1 1 117 117 GLN N N 117 119.500 119.500 116.922 2.578 25135 10336 1 12 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.274 0.066 25135 10337 1 12 . 1 1 117 117 GLN C C 117 178.200 178.200 178.451 -0.251 25135 10338 1 12 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.824 -0.024 25135 10339 1 12 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.623 0.177 25135 10340 1 12 . 1 1 117 117 GLN H H 117 8.030 8.030 8.077 -0.047 25135 10341 1 12 . 1 1 118 118 VAL N N 118 117.600 117.600 119.273 -1.673 25135 10342 1 12 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.841 -0.001 25135 10343 1 12 . 1 1 118 118 VAL C C 118 177.900 177.900 178.130 -0.230 25135 10344 1 12 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.865 -0.465 25135 10345 1 12 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.427 1.472 25135 10346 1 12 . 1 1 118 118 VAL H H 118 8.110 8.110 7.688 0.422 25135 10347 1 12 . 1 1 119 119 GLU N N 119 116.900 116.900 119.134 -2.234 25135 10348 1 12 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.119 0.191 25135 10349 1 12 . 1 1 119 119 GLU C C 119 177.700 177.700 179.199 -1.499 25135 10350 1 12 . 1 1 119 119 GLU CA C 119 58.400 58.400 59.126 -0.726 25135 10351 1 12 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.279 1.421 25135 10352 1 12 . 1 1 119 119 GLU H H 119 8.620 8.620 8.403 0.217 25135 10353 1 12 . 1 1 120 120 GLN N N 120 113.300 113.300 115.792 -2.492 25135 10354 1 12 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.321 0.129 25135 10355 1 12 . 1 1 120 120 GLN C C 120 174.700 174.700 176.289 -1.589 25135 10356 1 12 . 1 1 120 120 GLN CA C 120 54.500 54.500 56.004 -1.504 25135 10357 1 12 . 1 1 120 120 GLN CB C 120 28.600 28.600 29.937 -1.337 25135 10358 1 12 . 1 1 120 120 GLN H H 120 7.350 7.350 8.046 -0.696 25135 10359 1 12 . 1 1 121 121 ARG N N 121 114.800 114.800 113.565 1.235 25135 10360 1 12 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.184 -0.064 25135 10361 1 12 . 1 1 121 121 ARG C C 121 175.600 175.600 175.464 0.136 25135 10362 1 12 . 1 1 121 121 ARG CA C 121 56.600 56.600 56.909 -0.309 25135 10363 1 12 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.144 0.556 25135 10364 1 12 . 1 1 121 121 ARG H H 121 7.410 7.410 7.962 -0.552 25135 10365 1 12 . 1 1 122 122 MET N N 122 120.300 120.300 117.509 2.791 25135 10366 1 12 . 1 1 122 122 MET HA H 122 4.600 4.600 4.881 -0.281 25135 10367 1 12 . 1 1 122 122 MET CA C 122 53.700 53.700 53.726 -0.026 25135 10368 1 12 . 1 1 122 122 MET CB C 122 34.700 34.700 32.603 2.097 25135 10369 1 12 . 1 1 122 122 MET H H 122 7.760 7.760 7.331 0.429 25135 10370 1 12 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.484 -0.004 25135 10371 1 12 . 1 1 123 123 PRO C C 123 176.300 176.300 175.601 0.699 25135 10372 1 12 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.356 -0.556 25135 10373 1 12 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.865 -0.565 25135 10374 1 12 . 1 1 124 124 VAL N N 124 120.000 120.000 122.079 -2.079 25135 10375 1 12 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.398 -0.318 25135 10376 1 12 . 1 1 124 124 VAL C C 124 175.800 175.800 175.372 0.428 25135 10377 1 12 . 1 1 124 124 VAL CA C 124 61.700 61.700 60.669 1.031 25135 10378 1 12 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.401 -1.301 25135 10379 1 12 . 1 1 124 124 VAL H H 124 8.080 8.080 8.273 -0.193 25135 10380 1 12 . 1 1 125 125 SER N N 125 121.200 121.200 118.825 2.375 25135 10381 1 12 . 1 1 125 125 SER HA H 125 4.800 4.800 4.877 -0.077 25135 10382 1 12 . 1 1 125 125 SER CA C 125 56.200 56.200 55.961 0.239 25135 10383 1 12 . 1 1 125 125 SER CB C 125 63.700 63.700 64.146 -0.446 25135 10384 1 12 . 1 1 125 125 SER H H 125 8.380 8.380 8.294 0.086 25135 10385 1 12 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.376 0.104 25135 10386 1 12 . 1 1 126 126 PRO C C 126 177.100 177.100 176.058 1.042 25135 10387 1 12 . 1 1 126 126 PRO CA C 126 63.400 63.400 63.301 0.099 25135 10388 1 12 . 1 1 126 126 PRO CB C 126 31.900 31.900 29.920 1.980 25135 10389 1 12 . 1 1 127 127 ILE N N 127 119.900 119.900 120.285 -0.385 25135 10390 1 12 . 1 1 127 127 ILE HA H 127 4.140 4.140 4.142 -0.002 25135 10391 1 12 . 1 1 127 127 ILE C C 127 176.300 176.300 176.205 0.095 25135 10392 1 12 . 1 1 127 127 ILE CA C 127 61.300 61.300 62.102 -0.802 25135 10393 1 12 . 1 1 127 127 ILE CB C 127 38.800 38.800 36.201 2.599 25135 10394 1 12 . 1 1 127 127 ILE H H 127 8.050 8.050 8.812 -0.762 25135 10395 1 12 . 1 1 128 128 SER N N 128 119.000 119.000 121.953 -2.953 25135 10396 1 12 . 1 1 128 128 SER HA H 128 4.400 4.400 4.402 -0.002 25135 10397 1 12 . 1 1 128 128 SER C C 128 174.600 174.600 174.229 0.371 25135 10398 1 12 . 1 1 128 128 SER CA C 128 58.300 58.300 59.187 -0.887 25135 10399 1 12 . 1 1 128 128 SER CB C 128 63.600 63.600 61.865 1.735 25135 10400 1 12 . 1 1 128 128 SER H H 128 8.230 8.230 9.069 -0.839 25135 10401 1 12 . 1 1 129 129 GLN N N 129 122.600 122.600 118.827 3.773 25135 10402 1 12 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.565 -0.335 25135 10403 1 12 . 1 1 129 129 GLN C C 129 176.200 176.200 176.231 -0.031 25135 10404 1 12 . 1 1 129 129 GLN CA C 129 56.300 56.300 55.107 1.193 25135 10405 1 12 . 1 1 129 129 GLN CB C 129 29.100 29.100 29.423 -0.323 25135 10406 1 12 . 1 1 129 129 GLN H H 129 8.340 8.340 8.623 -0.283 25135 10407 1 12 . 1 1 130 130 GLY N N 130 109.200 109.200 109.738 -0.538 25135 10408 1 12 . 1 1 130 130 GLY C C 130 175.100 175.100 174.150 0.950 25135 10409 1 12 . 1 1 130 130 GLY CA C 130 45.200 45.200 45.799 -0.599 25135 10410 1 12 . 1 1 130 130 GLY H H 130 8.150 8.150 8.042 0.108 25135 10411 1 12 . 1 1 131 131 ALA N N 131 124.700 124.700 126.034 -1.334 25135 10412 1 12 . 1 1 131 131 ALA HA H 131 4.230 4.230 3.174 1.056 25135 10413 1 12 . 1 1 131 131 ALA C C 131 178.700 178.700 177.267 1.433 25135 10414 1 12 . 1 1 131 131 ALA CA C 131 53.800 53.800 51.701 2.099 25135 10415 1 12 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.488 0.412 25135 10416 1 12 . 1 1 131 131 ALA H H 131 8.070 8.070 8.503 -0.433 25135 10417 1 12 . 1 1 132 132 SER N N 132 113.200 113.200 114.767 -1.567 25135 10418 1 12 . 1 1 132 132 SER HA H 132 4.580 4.580 4.541 0.039 25135 10419 1 12 . 1 1 132 132 SER C C 132 175.700 175.700 175.412 0.288 25135 10420 1 12 . 1 1 132 132 SER CA C 132 58.500 58.500 58.524 -0.024 25135 10421 1 12 . 1 1 132 132 SER CB C 132 63.800 63.800 62.299 1.501 25135 10422 1 12 . 1 1 132 132 SER H H 132 8.340 8.340 8.144 0.196 25135 10423 1 12 . 1 1 133 133 TRP N N 133 122.800 122.800 122.693 0.107 25135 10424 1 12 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.282 0.248 25135 10425 1 12 . 1 1 133 133 TRP C C 133 178.200 178.200 177.948 0.252 25135 10426 1 12 . 1 1 133 133 TRP CA C 133 58.900 58.900 59.904 -1.004 25135 10427 1 12 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.160 2.040 25135 10428 1 12 . 1 1 133 133 TRP H H 133 8.380 8.380 7.128 1.252 25135 10429 1 12 . 1 1 134 134 ALA N N 134 120.600 120.600 120.051 0.549 25135 10430 1 12 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.803 0.447 25135 10431 1 12 . 1 1 134 134 ALA C C 134 180.700 180.700 179.806 0.894 25135 10432 1 12 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.107 0.593 25135 10433 1 12 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.915 0.085 25135 10434 1 12 . 1 1 134 134 ALA H H 134 8.420 8.420 8.621 -0.201 25135 10435 1 12 . 1 1 135 135 GLN N N 135 118.900 118.900 118.002 0.898 25135 10436 1 12 . 1 1 135 135 GLN HA H 135 4.100 4.100 4.004 0.096 25135 10437 1 12 . 1 1 135 135 GLN C C 135 179.200 179.200 178.915 0.285 25135 10438 1 12 . 1 1 135 135 GLN CA C 135 59.000 59.000 59.192 -0.192 25135 10439 1 12 . 1 1 135 135 GLN CB C 135 28.500 28.500 28.616 -0.116 25135 10440 1 12 . 1 1 135 135 GLN H H 135 7.860 7.860 7.793 0.068 25135 10441 1 12 . 1 1 136 136 GLU N N 136 120.900 120.900 118.256 2.644 25135 10442 1 12 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.151 -0.331 25135 10443 1 12 . 1 1 136 136 GLU C C 136 177.800 177.800 179.031 -1.231 25135 10444 1 12 . 1 1 136 136 GLU CA C 136 59.000 59.000 59.104 -0.104 25135 10445 1 12 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.418 0.582 25135 10446 1 12 . 1 1 136 136 GLU H H 136 7.720 7.720 7.746 -0.026 25135 10447 1 12 . 1 1 137 137 ASP N N 137 118.200 118.200 120.581 -2.381 25135 10448 1 12 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.395 0.065 25135 10449 1 12 . 1 1 137 137 ASP C C 137 178.100 178.100 178.441 -0.341 25135 10450 1 12 . 1 1 137 137 ASP CA C 137 57.200 57.200 57.895 -0.695 25135 10451 1 12 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.470 -0.370 25135 10452 1 12 . 1 1 137 137 ASP H H 137 8.800 8.800 8.488 0.312 25135 10453 1 12 . 1 1 138 138 GLN N N 138 116.900 116.900 118.440 -1.540 25135 10454 1 12 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.092 -0.212 25135 10455 1 12 . 1 1 138 138 GLN C C 138 178.400 178.400 178.141 0.259 25135 10456 1 12 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.436 0.464 25135 10457 1 12 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.407 0.293 25135 10458 1 12 . 1 1 138 138 GLN H H 138 7.510 7.510 7.684 -0.174 25135 10459 1 12 . 1 1 139 139 GLN N N 139 119.500 119.500 119.483 0.017 25135 10460 1 12 . 1 1 139 139 GLN HA H 139 4.110 4.110 4.053 0.057 25135 10461 1 12 . 1 1 139 139 GLN C C 139 178.900 178.900 178.697 0.203 25135 10462 1 12 . 1 1 139 139 GLN CA C 139 58.900 58.900 59.033 -0.133 25135 10463 1 12 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.539 0.061 25135 10464 1 12 . 1 1 139 139 GLN H H 139 7.520 7.520 7.629 -0.109 25135 10465 1 12 . 1 1 140 140 ASP N N 140 121.700 121.700 119.211 2.489 25135 10466 1 12 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.624 -0.604 25135 10467 1 12 . 1 1 140 140 ASP C C 140 177.700 177.700 177.874 -0.174 25135 10468 1 12 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.206 1.094 25135 10469 1 12 . 1 1 140 140 ASP CB C 140 40.700 40.700 40.273 0.427 25135 10470 1 12 . 1 1 140 140 ASP H H 140 9.130 9.130 8.266 0.864 25135 10471 1 12 . 1 1 141 141 ALA N N 141 121.000 121.000 124.318 -3.318 25135 10472 1 12 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.123 0.127 25135 10473 1 12 . 1 1 141 141 ALA C C 141 180.800 180.800 178.797 2.003 25135 10474 1 12 . 1 1 141 141 ALA CA C 141 55.400 55.400 55.134 0.266 25135 10475 1 12 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.512 0.988 25135 10476 1 12 . 1 1 141 141 ALA H H 141 8.720 8.720 7.722 0.998 25135 10477 1 12 . 1 1 142 142 ASP N N 142 119.100 119.100 117.953 1.147 25135 10478 1 12 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.318 0.112 25135 10479 1 12 . 1 1 142 142 ASP C C 142 178.600 178.600 178.576 0.024 25135 10480 1 12 . 1 1 142 142 ASP CA C 142 57.600 57.600 57.627 -0.027 25135 10481 1 12 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.589 0.711 25135 10482 1 12 . 1 1 142 142 ASP H H 142 7.850 7.850 8.487 -0.637 25135 10483 1 12 . 1 1 143 143 GLU N N 143 119.500 119.500 118.212 1.288 25135 10484 1 12 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.169 -0.139 25135 10485 1 12 . 1 1 143 143 GLU C C 143 180.100 180.100 178.646 1.454 25135 10486 1 12 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.919 0.781 25135 10487 1 12 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.825 -0.225 25135 10488 1 12 . 1 1 143 143 GLU H H 143 7.860 7.860 7.666 0.194 25135 10489 1 12 . 1 1 144 144 ASP N N 144 121.000 121.000 120.869 0.131 25135 10490 1 12 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.469 0.181 25135 10491 1 12 . 1 1 144 144 ASP C C 144 179.500 179.500 178.983 0.517 25135 10492 1 12 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.435 0.065 25135 10493 1 12 . 1 1 144 144 ASP CB C 144 41.100 41.100 40.862 0.238 25135 10494 1 12 . 1 1 144 144 ASP H H 144 8.840 8.840 8.287 0.553 25135 10495 1 12 . 1 1 145 145 ARG N N 145 121.400 121.400 119.094 2.306 25135 10496 1 12 . 1 1 145 145 ARG HA H 145 4.130 4.130 3.977 0.153 25135 10497 1 12 . 1 1 145 145 ARG C C 145 178.700 178.700 178.526 0.174 25135 10498 1 12 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.305 0.195 25135 10499 1 12 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.257 0.343 25135 10500 1 12 . 1 1 145 145 ARG H H 145 8.510 8.510 8.246 0.264 25135 10501 1 12 . 1 1 146 146 ARG N N 146 119.400 119.400 118.938 0.462 25135 10502 1 12 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.154 -0.044 25135 10503 1 12 . 1 1 146 146 ARG C C 146 178.400 178.400 178.255 0.145 25135 10504 1 12 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.598 0.802 25135 10505 1 12 . 1 1 146 146 ARG CB C 146 30.200 30.200 29.818 0.382 25135 10506 1 12 . 1 1 146 146 ARG H H 146 7.680 7.680 7.837 -0.157 25135 10507 1 12 . 1 1 147 147 ALA N N 147 120.300 120.300 123.004 -2.704 25135 10508 1 12 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.099 0.211 25135 10509 1 12 . 1 1 147 147 ALA C C 147 179.500 179.500 179.148 0.352 25135 10510 1 12 . 1 1 147 147 ALA CA C 147 54.100 54.100 54.924 -0.824 25135 10511 1 12 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.542 0.558 25135 10512 1 12 . 1 1 147 147 ALA H H 147 7.840 7.840 8.180 -0.340 25135 10513 1 12 . 1 1 148 148 PHE N N 148 119.900 119.900 117.317 2.583 25135 10514 1 12 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.217 0.173 25135 10515 1 12 . 1 1 148 148 PHE C C 148 176.900 176.900 178.188 -1.288 25135 10516 1 12 . 1 1 148 148 PHE CA C 148 60.500 60.500 60.832 -0.332 25135 10517 1 12 . 1 1 148 148 PHE CB C 148 39.700 39.700 38.650 1.050 25135 10518 1 12 . 1 1 148 148 PHE H H 148 8.210 8.210 7.847 0.363 25135 10519 1 12 . 1 1 149 149 GLN N N 149 118.500 118.500 119.986 -1.486 25135 10520 1 12 . 1 1 149 149 GLN HA H 149 4.130 4.130 4.069 0.061 25135 10521 1 12 . 1 1 149 149 GLN C C 149 176.400 176.400 176.863 -0.463 25135 10522 1 12 . 1 1 149 149 GLN CA C 149 56.900 56.900 58.617 -1.717 25135 10523 1 12 . 1 1 149 149 GLN CB C 149 28.900 28.900 29.492 -0.592 25135 10524 1 12 . 1 1 149 149 GLN H H 149 7.960 7.960 8.533 -0.573 25135 10525 1 12 . 1 1 150 150 MET N N 150 118.000 118.000 111.044 6.956 25135 10526 1 12 . 1 1 150 150 MET HA H 150 4.360 4.360 4.679 -0.319 25135 10527 1 12 . 1 1 150 150 MET C C 150 176.300 176.300 174.693 1.607 25135 10528 1 12 . 1 1 150 150 MET CA C 150 56.000 56.000 55.250 0.750 25135 10529 1 12 . 1 1 150 150 MET CB C 150 32.800 32.800 34.022 -1.222 25135 10530 1 12 . 1 1 150 150 MET H H 150 7.760 7.760 7.588 0.172 25135 10531 1 12 . 1 1 151 151 LEU N N 151 121.200 121.200 123.204 -2.004 25135 10532 1 12 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.547 -0.277 25135 10533 1 12 . 1 1 151 151 LEU C C 151 177.100 177.100 175.625 1.475 25135 10534 1 12 . 1 1 151 151 LEU CA C 151 55.400 55.400 54.785 0.615 25135 10535 1 12 . 1 1 151 151 LEU CB C 151 42.300 42.300 43.333 -1.033 25135 10536 1 12 . 1 1 151 151 LEU H H 151 7.690 7.690 7.952 -0.262 25135 10537 1 12 . 1 1 152 152 ARG N N 152 121.800 121.800 122.672 -0.872 25135 10538 1 12 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.219 0.021 25135 10539 1 12 . 1 1 152 152 ARG C C 152 176.000 176.000 176.600 -0.600 25135 10540 1 12 . 1 1 152 152 ARG CA C 152 56.200 56.200 56.842 -0.642 25135 10541 1 12 . 1 1 152 152 ARG CB C 152 30.900 30.900 30.366 0.534 25135 10542 1 12 . 1 1 152 152 ARG H H 152 8.120 8.120 8.411 -0.291 25135 10543 1 12 . 1 1 153 153 ARG N N 153 123.100 123.100 120.354 2.746 25135 10544 1 12 . 1 1 153 153 ARG HA H 153 4.360 4.360 3.900 0.460 25135 10545 1 12 . 1 1 153 153 ARG C C 153 174.900 174.900 175.786 -0.886 25135 10546 1 12 . 1 1 153 153 ARG CA C 153 56.000 56.000 56.436 -0.436 25135 10547 1 12 . 1 1 153 153 ARG CB C 153 31.000 31.000 28.477 2.522 25135 10548 1 12 . 1 1 153 153 ARG H H 153 8.380 8.380 8.756 -0.376 25135 10549 1 13 . 1 1 2 2 GLU N N 2 120.000 120.000 119.698 0.302 25135 10550 1 13 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.089 -0.109 25135 10551 1 13 . 1 1 2 2 GLU C C 2 178.400 178.400 177.852 0.548 25135 10552 1 13 . 1 1 2 2 GLU CA C 2 59.400 59.400 59.176 0.224 25135 10553 1 13 . 1 1 2 2 GLU CB C 2 29.200 29.200 29.095 0.105 25135 10554 1 13 . 1 1 2 2 GLU H H 2 8.140 8.140 8.923 -0.783 25135 10555 1 13 . 1 1 3 3 ASN N N 3 117.300 117.300 114.962 2.338 25135 10556 1 13 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.735 -0.095 25135 10557 1 13 . 1 1 3 3 ASN C C 3 177.900 177.900 176.523 1.377 25135 10558 1 13 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.613 1.187 25135 10559 1 13 . 1 1 3 3 ASN CB C 3 39.000 39.000 38.232 0.768 25135 10560 1 13 . 1 1 3 3 ASN H H 3 7.960 7.960 8.606 -0.646 25135 10561 1 13 . 1 1 4 4 LEU N N 4 119.700 119.700 122.521 -2.821 25135 10562 1 13 . 1 1 4 4 LEU HA H 4 4.030 4.030 3.972 0.058 25135 10563 1 13 . 1 1 4 4 LEU C C 4 177.900 177.900 178.416 -0.516 25135 10564 1 13 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.743 -0.343 25135 10565 1 13 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.888 0.112 25135 10566 1 13 . 1 1 4 4 LEU H H 4 8.450 8.450 8.078 0.372 25135 10567 1 13 . 1 1 5 5 LYS N N 5 118.200 118.200 117.207 0.993 25135 10568 1 13 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.003 -0.063 25135 10569 1 13 . 1 1 5 5 LYS C C 5 179.200 179.200 179.290 -0.090 25135 10570 1 13 . 1 1 5 5 LYS CA C 5 60.000 60.000 59.407 0.593 25135 10571 1 13 . 1 1 5 5 LYS CB C 5 31.900 31.900 32.024 -0.124 25135 10572 1 13 . 1 1 5 5 LYS H H 5 7.940 7.940 7.910 0.030 25135 10573 1 13 . 1 1 6 6 HIS N N 6 118.400 118.400 119.509 -1.109 25135 10574 1 13 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.476 -0.056 25135 10575 1 13 . 1 1 6 6 HIS C C 6 178.200 178.200 177.363 0.837 25135 10576 1 13 . 1 1 6 6 HIS CA C 6 59.100 59.100 59.390 -0.290 25135 10577 1 13 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.278 0.622 25135 10578 1 13 . 1 1 6 6 HIS H H 6 7.710 7.710 7.828 -0.118 25135 10579 1 13 . 1 1 7 7 ILE N N 7 120.300 120.300 121.297 -0.997 25135 10580 1 13 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.521 -0.081 25135 10581 1 13 . 1 1 7 7 ILE C C 7 176.500 176.500 177.419 -0.919 25135 10582 1 13 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.607 0.393 25135 10583 1 13 . 1 1 7 7 ILE CB C 7 38.700 38.700 37.995 0.705 25135 10584 1 13 . 1 1 7 7 ILE H H 7 7.950 7.950 8.446 -0.496 25135 10585 1 13 . 1 1 8 8 ILE N N 8 120.200 120.200 119.477 0.723 25135 10586 1 13 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.433 0.147 25135 10587 1 13 . 1 1 8 8 ILE C C 8 178.000 178.000 177.784 0.216 25135 10588 1 13 . 1 1 8 8 ILE CA C 8 65.800 65.800 66.008 -0.208 25135 10589 1 13 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.511 1.089 25135 10590 1 13 . 1 1 8 8 ILE H H 8 8.450 8.450 8.953 -0.503 25135 10591 1 13 . 1 1 9 9 THR N N 9 115.400 115.400 114.572 0.828 25135 10592 1 13 . 1 1 9 9 THR HA H 9 3.880 3.880 3.970 -0.090 25135 10593 1 13 . 1 1 9 9 THR C C 9 176.300 176.300 176.107 0.193 25135 10594 1 13 . 1 1 9 9 THR CA C 9 66.900 66.900 66.117 0.783 25135 10595 1 13 . 1 1 9 9 THR CB C 9 68.800 68.800 68.812 -0.012 25135 10596 1 13 . 1 1 9 9 THR H H 9 8.120 8.120 7.536 0.584 25135 10597 1 13 . 1 1 10 10 LEU N N 10 122.100 122.100 121.788 0.312 25135 10598 1 13 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.120 -0.070 25135 10599 1 13 . 1 1 10 10 LEU C C 10 178.800 178.800 178.342 0.458 25135 10600 1 13 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.798 1.102 25135 10601 1 13 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.212 1.089 25135 10602 1 13 . 1 1 10 10 LEU H H 10 7.950 7.950 7.584 0.366 25135 10603 1 13 . 1 1 11 11 GLY N N 11 105.800 105.800 106.227 -0.427 25135 10604 1 13 . 1 1 11 11 GLY C C 11 174.700 174.700 176.377 -1.677 25135 10605 1 13 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.087 0.413 25135 10606 1 13 . 1 1 11 11 GLY H H 11 8.660 8.660 8.612 0.048 25135 10607 1 13 . 1 1 12 12 GLN N N 12 119.600 119.600 119.791 -0.191 25135 10608 1 13 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.419 -0.429 25135 10609 1 13 . 1 1 12 12 GLN C C 12 179.600 179.600 178.751 0.849 25135 10610 1 13 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.323 1.977 25135 10611 1 13 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.437 -0.537 25135 10612 1 13 . 1 1 12 12 GLN H H 12 8.050 8.050 7.648 0.402 25135 10613 1 13 . 1 1 13 13 VAL N N 13 122.600 122.600 122.458 0.142 25135 10614 1 13 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.594 0.076 25135 10615 1 13 . 1 1 13 13 VAL C C 13 178.500 178.500 177.859 0.641 25135 10616 1 13 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.853 -0.153 25135 10617 1 13 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.513 0.387 25135 10618 1 13 . 1 1 13 13 VAL H H 13 8.300 8.300 7.934 0.366 25135 10619 1 13 . 1 1 14 14 ILE N N 14 121.000 121.000 118.953 2.047 25135 10620 1 13 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.507 -0.037 25135 10621 1 13 . 1 1 14 14 ILE C C 14 177.700 177.700 177.640 0.060 25135 10622 1 13 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.407 0.393 25135 10623 1 13 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.716 0.684 25135 10624 1 13 . 1 1 14 14 ILE H H 14 8.480 8.480 8.570 -0.090 25135 10625 1 13 . 1 1 15 15 HIS N N 15 118.900 118.900 118.314 0.586 25135 10626 1 13 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.341 -0.441 25135 10627 1 13 . 1 1 15 15 HIS C C 15 176.200 176.200 177.004 -0.804 25135 10628 1 13 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.003 2.297 25135 10629 1 13 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.162 -0.162 25135 10630 1 13 . 1 1 15 15 HIS H H 15 8.250 8.250 7.557 0.693 25135 10631 1 13 . 1 1 16 16 LYS N N 16 118.500 118.500 120.082 -1.582 25135 10632 1 13 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.707 -0.037 25135 10633 1 13 . 1 1 16 16 LYS C C 16 179.200 179.200 178.863 0.337 25135 10634 1 13 . 1 1 16 16 LYS CA C 16 59.500 59.500 58.778 0.722 25135 10635 1 13 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.158 0.342 25135 10636 1 13 . 1 1 16 16 LYS H H 16 7.820 7.820 8.160 -0.340 25135 10637 1 13 . 1 1 17 17 ARG N N 17 117.600 117.600 119.391 -1.791 25135 10638 1 13 . 1 1 17 17 ARG HA H 17 3.960 3.960 4.226 -0.266 25135 10639 1 13 . 1 1 17 17 ARG C C 17 180.600 180.600 178.538 2.062 25135 10640 1 13 . 1 1 17 17 ARG CA C 17 59.200 59.200 59.189 0.011 25135 10641 1 13 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.282 0.218 25135 10642 1 13 . 1 1 17 17 ARG H H 17 8.330 8.330 8.815 -0.485 25135 10643 1 13 . 1 1 18 18 CYS N N 18 118.100 118.100 114.170 3.930 25135 10644 1 13 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.171 -0.281 25135 10645 1 13 . 1 1 18 18 CYS C C 18 177.300 177.300 176.136 1.164 25135 10646 1 13 . 1 1 18 18 CYS CA C 18 65.900 65.900 60.736 5.164 25135 10647 1 13 . 1 1 18 18 CYS CB C 18 27.600 27.600 28.091 -0.491 25135 10648 1 13 . 1 1 18 18 CYS H H 18 8.550 8.550 7.522 1.028 25135 10649 1 13 . 1 1 19 19 GLU N N 19 117.900 117.900 118.615 -0.715 25135 10650 1 13 . 1 1 19 19 GLU HA H 19 3.810 3.810 3.968 -0.158 25135 10651 1 13 . 1 1 19 19 GLU C C 19 177.100 177.100 177.668 -0.568 25135 10652 1 13 . 1 1 19 19 GLU CA C 19 58.300 58.300 58.376 -0.076 25135 10653 1 13 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.605 0.396 25135 10654 1 13 . 1 1 19 19 GLU H H 19 7.540 7.540 7.634 -0.094 25135 10655 1 13 . 1 1 20 20 GLU N N 20 115.400 115.400 114.881 0.519 25135 10656 1 13 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.303 -0.083 25135 10657 1 13 . 1 1 20 20 GLU C C 20 177.100 177.100 176.910 0.190 25135 10658 1 13 . 1 1 20 20 GLU CA C 20 55.900 55.900 56.199 -0.299 25135 10659 1 13 . 1 1 20 20 GLU CB C 20 30.600 30.600 30.001 0.599 25135 10660 1 13 . 1 1 20 20 GLU H H 20 7.190 7.190 7.540 -0.350 25135 10661 1 13 . 1 1 21 21 MET N N 21 120.500 120.500 121.669 -1.169 25135 10662 1 13 . 1 1 21 21 MET HA H 21 4.260 4.260 4.287 -0.027 25135 10663 1 13 . 1 1 21 21 MET C C 21 177.800 177.800 177.276 0.524 25135 10664 1 13 . 1 1 21 21 MET CA C 21 56.400 56.400 56.443 -0.043 25135 10665 1 13 . 1 1 21 21 MET CB C 21 33.300 33.300 32.858 0.442 25135 10666 1 13 . 1 1 21 21 MET H H 21 6.940 6.940 7.141 -0.201 25135 10667 1 13 . 1 1 22 22 LYS N N 22 120.500 120.500 120.137 0.363 25135 10668 1 13 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.424 -0.474 25135 10669 1 13 . 1 1 22 22 LYS C C 22 175.400 175.400 175.515 -0.115 25135 10670 1 13 . 1 1 22 22 LYS CA C 22 57.000 57.000 56.065 0.935 25135 10671 1 13 . 1 1 22 22 LYS CB C 22 33.600 33.600 33.044 0.556 25135 10672 1 13 . 1 1 22 22 LYS H H 22 8.760 8.760 8.808 -0.048 25135 10673 1 13 . 1 1 23 23 TYR N N 23 115.500 115.500 118.816 -3.316 25135 10674 1 13 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.671 0.239 25135 10675 1 13 . 1 1 23 23 TYR C C 23 173.700 173.700 174.610 -0.910 25135 10676 1 13 . 1 1 23 23 TYR CA C 23 55.000 55.000 58.434 -3.434 25135 10677 1 13 . 1 1 23 23 TYR CB C 23 41.900 41.900 41.891 0.009 25135 10678 1 13 . 1 1 23 23 TYR H H 23 7.260 7.260 7.487 -0.227 25135 10679 1 13 . 1 1 24 24 CYS N N 24 113.600 113.600 116.968 -3.368 25135 10680 1 13 . 1 1 24 24 CYS HA H 24 3.700 3.700 4.151 -0.451 25135 10681 1 13 . 1 1 24 24 CYS C C 24 174.700 174.700 175.669 -0.969 25135 10682 1 13 . 1 1 24 24 CYS CA C 24 60.400 60.400 59.015 1.385 25135 10683 1 13 . 1 1 24 24 CYS CB C 24 26.100 26.100 25.739 0.361 25135 10684 1 13 . 1 1 24 24 CYS H H 24 8.720 8.720 9.012 -0.292 25135 10685 1 13 . 1 1 25 25 LYS N N 25 115.800 115.800 118.957 -3.157 25135 10686 1 13 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.834 -0.254 25135 10687 1 13 . 1 1 25 25 LYS C C 25 179.800 179.800 178.470 1.330 25135 10688 1 13 . 1 1 25 25 LYS CA C 25 60.700 60.700 59.707 0.993 25135 10689 1 13 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.239 1.061 25135 10690 1 13 . 1 1 25 25 LYS H H 25 8.050 8.050 8.473 -0.423 25135 10691 1 13 . 1 1 26 26 LYS N N 26 121.000 121.000 118.983 2.017 25135 10692 1 13 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.942 0.048 25135 10693 1 13 . 1 1 26 26 LYS C C 26 181.300 181.300 179.313 1.987 25135 10694 1 13 . 1 1 26 26 LYS CA C 26 59.000 59.000 59.950 -0.951 25135 10695 1 13 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.678 -1.278 25135 10696 1 13 . 1 1 26 26 LYS H H 26 10.600 10.600 8.384 2.216 25135 10697 1 13 . 1 1 27 27 GLN N N 27 120.500 120.500 118.319 2.181 25135 10698 1 13 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.297 -0.327 25135 10699 1 13 . 1 1 27 27 GLN C C 27 180.200 180.200 178.641 1.559 25135 10700 1 13 . 1 1 27 27 GLN CA C 27 59.300 59.300 59.206 0.094 25135 10701 1 13 . 1 1 27 27 GLN CB C 27 32.100 32.100 28.981 3.119 25135 10702 1 13 . 1 1 27 27 GLN H H 27 9.890 9.890 7.997 1.893 25135 10703 1 13 . 1 1 28 28 CYS N N 28 118.800 118.800 119.102 -0.302 25135 10704 1 13 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.783 0.427 25135 10705 1 13 . 1 1 28 28 CYS C C 28 176.200 176.200 176.394 -0.194 25135 10706 1 13 . 1 1 28 28 CYS CA C 28 64.300 64.300 64.364 -0.064 25135 10707 1 13 . 1 1 28 28 CYS CB C 28 26.800 26.800 27.411 -0.611 25135 10708 1 13 . 1 1 28 28 CYS H H 28 8.550 8.550 8.624 -0.074 25135 10709 1 13 . 1 1 29 29 ARG N N 29 119.300 119.300 119.120 0.180 25135 10710 1 13 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.787 0.083 25135 10711 1 13 . 1 1 29 29 ARG C C 29 178.900 178.900 178.978 -0.078 25135 10712 1 13 . 1 1 29 29 ARG CA C 29 59.300 59.300 59.235 0.065 25135 10713 1 13 . 1 1 29 29 ARG CB C 29 29.200 29.200 29.720 -0.519 25135 10714 1 13 . 1 1 29 29 ARG H H 29 8.700 8.700 8.346 0.354 25135 10715 1 13 . 1 1 30 30 ARG N N 30 119.700 119.700 118.614 1.086 25135 10716 1 13 . 1 1 30 30 ARG HA H 30 3.890 3.890 4.177 -0.287 25135 10717 1 13 . 1 1 30 30 ARG C C 30 178.000 178.000 178.342 -0.342 25135 10718 1 13 . 1 1 30 30 ARG CA C 30 58.200 58.200 59.068 -0.868 25135 10719 1 13 . 1 1 30 30 ARG CB C 30 29.100 29.100 30.289 -1.189 25135 10720 1 13 . 1 1 30 30 ARG H H 30 7.810 7.810 7.469 0.341 25135 10721 1 13 . 1 1 31 31 LEU N N 31 120.600 120.600 121.599 -0.999 25135 10722 1 13 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.558 0.482 25135 10723 1 13 . 1 1 31 31 LEU C C 31 178.400 178.400 177.965 0.435 25135 10724 1 13 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.578 0.722 25135 10725 1 13 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.095 0.105 25135 10726 1 13 . 1 1 31 31 LEU H H 31 7.310 7.310 7.691 -0.381 25135 10727 1 13 . 1 1 32 32 GLY N N 32 105.200 105.200 104.931 0.269 25135 10728 1 13 . 1 1 32 32 GLY C C 32 175.600 175.600 175.677 -0.077 25135 10729 1 13 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.053 1.347 25135 10730 1 13 . 1 1 32 32 GLY H H 32 7.960 7.960 7.720 0.240 25135 10731 1 13 . 1 1 33 33 HIS N N 33 120.500 120.500 122.275 -1.775 25135 10732 1 13 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.130 0.100 25135 10733 1 13 . 1 1 33 33 HIS C C 33 179.400 179.400 178.023 1.377 25135 10734 1 13 . 1 1 33 33 HIS CA C 33 59.600 59.600 58.900 0.700 25135 10735 1 13 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.075 0.525 25135 10736 1 13 . 1 1 33 33 HIS H H 33 8.340 8.340 7.745 0.595 25135 10737 1 13 . 1 1 34 34 ARG N N 34 121.900 121.900 119.159 2.741 25135 10738 1 13 . 1 1 34 34 ARG HA H 34 3.870 3.870 3.967 -0.097 25135 10739 1 13 . 1 1 34 34 ARG C C 34 179.600 179.600 178.420 1.180 25135 10740 1 13 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.484 0.016 25135 10741 1 13 . 1 1 34 34 ARG CB C 34 30.100 30.100 29.671 0.429 25135 10742 1 13 . 1 1 34 34 ARG H H 34 8.680 8.680 8.593 0.087 25135 10743 1 13 . 1 1 35 35 VAL N N 35 118.500 118.500 120.536 -2.036 25135 10744 1 13 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.515 -0.105 25135 10745 1 13 . 1 1 35 35 VAL C C 35 177.600 177.600 177.758 -0.158 25135 10746 1 13 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.492 1.308 25135 10747 1 13 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.409 -0.109 25135 10748 1 13 . 1 1 35 35 VAL H H 35 8.500 8.500 7.599 0.901 25135 10749 1 13 . 1 1 36 36 LEU N N 36 118.300 118.300 119.419 -1.119 25135 10750 1 13 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.772 0.128 25135 10751 1 13 . 1 1 36 36 LEU C C 36 179.600 179.600 179.149 0.451 25135 10752 1 13 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.842 0.158 25135 10753 1 13 . 1 1 36 36 LEU CB C 36 41.400 41.400 41.105 0.295 25135 10754 1 13 . 1 1 36 36 LEU H H 36 7.890 7.890 8.769 -0.879 25135 10755 1 13 . 1 1 37 37 GLY N N 37 104.900 104.900 105.351 -0.451 25135 10756 1 13 . 1 1 37 37 GLY C C 37 175.700 175.700 175.246 0.454 25135 10757 1 13 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.852 -0.152 25135 10758 1 13 . 1 1 37 37 GLY H H 37 7.760 7.760 7.726 0.034 25135 10759 1 13 . 1 1 38 38 LEU N N 38 120.500 120.500 120.273 0.227 25135 10760 1 13 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.693 -0.103 25135 10761 1 13 . 1 1 38 38 LEU C C 38 176.900 176.900 178.085 -1.185 25135 10762 1 13 . 1 1 38 38 LEU CA C 38 56.500 56.500 56.289 0.211 25135 10763 1 13 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.189 -0.589 25135 10764 1 13 . 1 1 38 38 LEU H H 38 7.720 7.720 7.382 0.338 25135 10765 1 13 . 1 1 39 39 ILE N N 39 108.700 108.700 116.311 -7.611 25135 10766 1 13 . 1 1 39 39 ILE HA H 39 4.190 4.190 3.928 0.262 25135 10767 1 13 . 1 1 39 39 ILE C C 39 178.100 178.100 176.651 1.449 25135 10768 1 13 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.107 -0.407 25135 10769 1 13 . 1 1 39 39 ILE CB C 39 38.500 38.500 38.137 0.363 25135 10770 1 13 . 1 1 39 39 ILE H H 39 7.540 7.540 7.585 -0.045 25135 10771 1 13 . 1 1 40 40 LYS N N 40 122.800 122.800 122.199 0.601 25135 10772 1 13 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.150 0.280 25135 10773 1 13 . 1 1 40 40 LYS CA C 40 60.700 60.700 60.223 0.477 25135 10774 1 13 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.515 -0.115 25135 10775 1 13 . 1 1 40 40 LYS H H 40 7.600 7.600 8.521 -0.921 25135 10776 1 13 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.280 0.150 25135 10777 1 13 . 1 1 41 41 PRO C C 41 178.700 178.700 179.335 -0.635 25135 10778 1 13 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.651 -0.151 25135 10779 1 13 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.348 0.252 25135 10780 1 13 . 1 1 42 42 LEU N N 42 114.400 114.400 118.688 -4.288 25135 10781 1 13 . 1 1 42 42 LEU HA H 42 4.060 4.060 4.015 0.045 25135 10782 1 13 . 1 1 42 42 LEU C C 42 178.800 178.800 179.353 -0.553 25135 10783 1 13 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.667 -0.567 25135 10784 1 13 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.278 -0.978 25135 10785 1 13 . 1 1 42 42 LEU H H 42 7.200 7.200 7.735 -0.535 25135 10786 1 13 . 1 1 43 43 GLU N N 43 119.200 119.200 117.355 1.845 25135 10787 1 13 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.984 -0.064 25135 10788 1 13 . 1 1 43 43 GLU C C 43 179.100 179.100 178.082 1.018 25135 10789 1 13 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.043 0.457 25135 10790 1 13 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.294 0.806 25135 10791 1 13 . 1 1 43 43 GLU H H 43 8.120 8.120 7.972 0.148 25135 10792 1 13 . 1 1 44 44 MET N N 44 116.500 116.500 115.394 1.106 25135 10793 1 13 . 1 1 44 44 MET HA H 44 4.310 4.310 4.416 -0.106 25135 10794 1 13 . 1 1 44 44 MET C C 44 177.900 177.900 178.442 -0.542 25135 10795 1 13 . 1 1 44 44 MET CA C 44 57.600 57.600 57.145 0.455 25135 10796 1 13 . 1 1 44 44 MET CB C 44 32.500 32.500 33.063 -0.563 25135 10797 1 13 . 1 1 44 44 MET H H 44 7.600 7.600 7.875 -0.275 25135 10798 1 13 . 1 1 45 45 LEU N N 45 119.900 119.900 117.098 2.802 25135 10799 1 13 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.498 -0.348 25135 10800 1 13 . 1 1 45 45 LEU C C 45 178.000 178.000 179.013 -1.013 25135 10801 1 13 . 1 1 45 45 LEU CA C 45 56.600 56.600 57.539 -0.939 25135 10802 1 13 . 1 1 45 45 LEU CB C 45 42.000 42.000 40.126 1.874 25135 10803 1 13 . 1 1 45 45 LEU H H 45 7.620 7.620 7.629 -0.009 25135 10804 1 13 . 1 1 46 46 GLN N N 46 118.300 118.300 120.224 -1.924 25135 10805 1 13 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.176 -0.156 25135 10806 1 13 . 1 1 46 46 GLN C C 46 176.500 176.500 178.109 -1.609 25135 10807 1 13 . 1 1 46 46 GLN CA C 46 57.700 57.700 58.499 -0.799 25135 10808 1 13 . 1 1 46 46 GLN CB C 46 29.500 29.500 27.915 1.585 25135 10809 1 13 . 1 1 46 46 GLN H H 46 7.950 7.950 8.725 -0.775 25135 10810 1 13 . 1 1 47 47 ASP N N 47 119.000 119.000 118.331 0.669 25135 10811 1 13 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.560 0.010 25135 10812 1 13 . 1 1 47 47 ASP C C 47 176.900 176.900 178.446 -1.546 25135 10813 1 13 . 1 1 47 47 ASP CA C 47 55.300 55.300 55.878 -0.578 25135 10814 1 13 . 1 1 47 47 ASP CB C 47 41.300 41.300 41.029 0.271 25135 10815 1 13 . 1 1 47 47 ASP H H 47 7.890 7.890 7.775 0.115 25135 10816 1 13 . 1 1 48 48 GLN N N 48 119.500 119.500 117.734 1.766 25135 10817 1 13 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.079 0.151 25135 10818 1 13 . 1 1 48 48 GLN C C 48 177.200 177.200 177.637 -0.437 25135 10819 1 13 . 1 1 48 48 GLN CA C 48 56.700 56.700 57.404 -0.704 25135 10820 1 13 . 1 1 48 48 GLN CB C 48 29.300 29.300 29.233 0.067 25135 10821 1 13 . 1 1 48 48 GLN H H 48 8.080 8.080 7.599 0.481 25135 10822 1 13 . 1 1 49 49 GLY N N 49 108.100 108.100 106.601 1.499 25135 10823 1 13 . 1 1 49 49 GLY C C 49 174.300 174.300 175.057 -0.757 25135 10824 1 13 . 1 1 49 49 GLY CA C 49 46.000 46.000 45.978 0.022 25135 10825 1 13 . 1 1 49 49 GLY H H 49 8.270 8.270 7.963 0.307 25135 10826 1 13 . 1 1 50 50 LYS N N 50 120.200 120.200 118.253 1.947 25135 10827 1 13 . 1 1 50 50 LYS HA H 50 4.320 4.320 4.054 0.266 25135 10828 1 13 . 1 1 50 50 LYS C C 50 176.400 176.400 176.736 -0.336 25135 10829 1 13 . 1 1 50 50 LYS CA C 50 56.500 56.500 57.788 -1.288 25135 10830 1 13 . 1 1 50 50 LYS CB C 50 32.900 32.900 32.927 -0.027 25135 10831 1 13 . 1 1 50 50 LYS H H 50 8.130 8.130 8.114 0.016 25135 10832 1 13 . 1 1 51 51 ARG N N 51 121.300 121.300 118.368 2.932 25135 10833 1 13 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.478 -0.018 25135 10834 1 13 . 1 1 51 51 ARG C C 51 176.100 176.100 173.960 2.140 25135 10835 1 13 . 1 1 51 51 ARG CA C 51 56.000 56.000 56.843 -0.843 25135 10836 1 13 . 1 1 51 51 ARG CB C 51 31.200 31.200 32.848 -1.648 25135 10837 1 13 . 1 1 51 51 ARG H H 51 8.260 8.260 7.978 0.282 25135 10838 1 13 . 1 1 52 52 SER N N 52 116.900 116.900 117.437 -0.537 25135 10839 1 13 . 1 1 52 52 SER HA H 52 4.550 4.550 4.609 -0.059 25135 10840 1 13 . 1 1 52 52 SER C C 52 173.900 173.900 173.291 0.609 25135 10841 1 13 . 1 1 52 52 SER CA C 52 57.800 57.800 58.131 -0.331 25135 10842 1 13 . 1 1 52 52 SER CB C 52 64.300 64.300 64.124 0.176 25135 10843 1 13 . 1 1 52 52 SER H H 52 8.150 8.150 8.472 -0.322 25135 10844 1 13 . 1 1 53 53 VAL N N 53 124.300 124.300 125.815 -1.515 25135 10845 1 13 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.245 0.045 25135 10846 1 13 . 1 1 53 53 VAL CA C 53 60.400 60.400 59.513 0.887 25135 10847 1 13 . 1 1 53 53 VAL CB C 53 32.500 32.500 32.544 -0.044 25135 10848 1 13 . 1 1 53 53 VAL H H 53 8.420 8.420 8.037 0.383 25135 10849 1 13 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.512 -0.022 25135 10850 1 13 . 1 1 54 54 PRO C C 54 176.600 176.600 176.377 0.223 25135 10851 1 13 . 1 1 54 54 PRO CA C 54 62.500 62.500 62.683 -0.183 25135 10852 1 13 . 1 1 54 54 PRO CB C 54 32.600 32.600 30.334 2.266 25135 10853 1 13 . 1 1 55 55 SER N N 55 119.500 119.500 119.279 0.221 25135 10854 1 13 . 1 1 55 55 SER HA H 55 4.370 4.370 4.470 -0.100 25135 10855 1 13 . 1 1 55 55 SER C C 55 175.500 175.500 175.452 0.048 25135 10856 1 13 . 1 1 55 55 SER CA C 55 58.200 58.200 57.502 0.698 25135 10857 1 13 . 1 1 55 55 SER CB C 55 64.200 64.200 64.627 -0.427 25135 10858 1 13 . 1 1 55 55 SER H H 55 8.970 8.970 8.308 0.662 25135 10859 1 13 . 1 1 56 56 GLU N N 56 123.000 123.000 120.619 2.381 25135 10860 1 13 . 1 1 56 56 GLU HA H 56 4.140 4.140 4.238 -0.098 25135 10861 1 13 . 1 1 56 56 GLU C C 56 179.300 179.300 178.382 0.918 25135 10862 1 13 . 1 1 56 56 GLU CA C 56 59.700 59.700 58.785 0.915 25135 10863 1 13 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.551 -0.351 25135 10864 1 13 . 1 1 56 56 GLU H H 56 9.030 9.030 9.052 -0.022 25135 10865 1 13 . 1 1 57 57 LYS N N 57 118.900 118.900 118.842 0.058 25135 10866 1 13 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.141 -0.141 25135 10867 1 13 . 1 1 57 57 LYS C C 57 179.400 179.400 178.319 1.081 25135 10868 1 13 . 1 1 57 57 LYS CA C 57 59.600 59.600 58.745 0.855 25135 10869 1 13 . 1 1 57 57 LYS CB C 57 32.700 32.700 32.069 0.631 25135 10870 1 13 . 1 1 57 57 LYS H H 57 8.150 8.150 8.254 -0.104 25135 10871 1 13 . 1 1 58 58 LEU N N 58 122.800 122.800 120.506 2.294 25135 10872 1 13 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.082 0.018 25135 10873 1 13 . 1 1 58 58 LEU C C 58 178.200 178.200 178.264 -0.064 25135 10874 1 13 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.266 0.034 25135 10875 1 13 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.400 -0.900 25135 10876 1 13 . 1 1 58 58 LEU H H 58 8.420 8.420 7.670 0.750 25135 10877 1 13 . 1 1 59 59 THR N N 59 117.800 117.800 113.358 4.442 25135 10878 1 13 . 1 1 59 59 THR HA H 59 3.730 3.730 4.041 -0.311 25135 10879 1 13 . 1 1 59 59 THR C C 59 176.800 176.800 176.673 0.127 25135 10880 1 13 . 1 1 59 59 THR CA C 59 67.500 67.500 66.851 0.649 25135 10881 1 13 . 1 1 59 59 THR CB C 59 68.400 68.400 68.111 0.289 25135 10882 1 13 . 1 1 59 59 THR H H 59 8.600 8.600 7.620 0.980 25135 10883 1 13 . 1 1 60 60 THR N N 60 118.300 118.300 117.467 0.833 25135 10884 1 13 . 1 1 60 60 THR HA H 60 3.980 3.980 4.043 -0.063 25135 10885 1 13 . 1 1 60 60 THR C C 60 176.400 176.400 176.022 0.378 25135 10886 1 13 . 1 1 60 60 THR CA C 60 66.900 66.900 66.566 0.334 25135 10887 1 13 . 1 1 60 60 THR CB C 60 68.400 68.400 68.539 -0.139 25135 10888 1 13 . 1 1 60 60 THR H H 60 8.390 8.390 7.548 0.842 25135 10889 1 13 . 1 1 61 61 ALA N N 61 124.900 124.900 124.458 0.442 25135 10890 1 13 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.154 -0.034 25135 10891 1 13 . 1 1 61 61 ALA C C 61 180.000 180.000 179.671 0.329 25135 10892 1 13 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.395 0.405 25135 10893 1 13 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.228 0.572 25135 10894 1 13 . 1 1 61 61 ALA H H 61 8.090 8.090 7.832 0.258 25135 10895 1 13 . 1 1 62 62 MET N N 62 118.300 118.300 117.582 0.718 25135 10896 1 13 . 1 1 62 62 MET HA H 62 4.110 4.110 4.248 -0.138 25135 10897 1 13 . 1 1 62 62 MET C C 62 178.300 178.300 178.712 -0.412 25135 10898 1 13 . 1 1 62 62 MET CA C 62 59.600 59.600 59.753 -0.153 25135 10899 1 13 . 1 1 62 62 MET CB C 62 32.500 32.500 32.263 0.237 25135 10900 1 13 . 1 1 62 62 MET H H 62 8.820 8.820 8.633 0.187 25135 10901 1 13 . 1 1 63 63 ASN N N 63 119.500 119.500 118.581 0.919 25135 10902 1 13 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.517 0.063 25135 10903 1 13 . 1 1 63 63 ASN C C 63 179.000 179.000 177.861 1.139 25135 10904 1 13 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.647 -0.346 25135 10905 1 13 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.251 -0.551 25135 10906 1 13 . 1 1 63 63 ASN H H 63 8.320 8.320 8.813 -0.493 25135 10907 1 13 . 1 1 64 64 ARG N N 64 122.500 122.500 120.474 2.026 25135 10908 1 13 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.170 0.020 25135 10909 1 13 . 1 1 64 64 ARG C C 64 179.300 179.300 179.059 0.241 25135 10910 1 13 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.334 0.366 25135 10911 1 13 . 1 1 64 64 ARG CB C 64 30.700 30.700 30.053 0.647 25135 10912 1 13 . 1 1 64 64 ARG H H 64 8.560 8.560 8.033 0.527 25135 10913 1 13 . 1 1 65 65 PHE N N 65 123.100 123.100 122.412 0.688 25135 10914 1 13 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.304 0.166 25135 10915 1 13 . 1 1 65 65 PHE C C 65 176.400 176.400 177.007 -0.607 25135 10916 1 13 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.530 1.070 25135 10917 1 13 . 1 1 65 65 PHE CB C 65 39.400 39.400 38.949 0.451 25135 10918 1 13 . 1 1 65 65 PHE H H 65 8.560 8.560 8.783 -0.223 25135 10919 1 13 . 1 1 66 66 LYS N N 66 119.800 119.800 119.588 0.212 25135 10920 1 13 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.803 -0.183 25135 10921 1 13 . 1 1 66 66 LYS C C 66 177.600 177.600 178.861 -1.261 25135 10922 1 13 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.696 1.004 25135 10923 1 13 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.320 0.180 25135 10924 1 13 . 1 1 66 66 LYS H H 66 8.610 8.610 8.884 -0.274 25135 10925 1 13 . 1 1 67 67 ALA N N 67 119.000 119.000 121.812 -2.812 25135 10926 1 13 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.059 0.171 25135 10927 1 13 . 1 1 67 67 ALA C C 67 180.400 180.400 179.074 1.326 25135 10928 1 13 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.735 0.265 25135 10929 1 13 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.649 -0.649 25135 10930 1 13 . 1 1 67 67 ALA H H 67 8.000 8.000 8.239 -0.239 25135 10931 1 13 . 1 1 68 68 ALA N N 68 122.200 122.200 121.826 0.374 25135 10932 1 13 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.100 0.090 25135 10933 1 13 . 1 1 68 68 ALA C C 68 179.800 179.800 179.809 -0.009 25135 10934 1 13 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.847 0.353 25135 10935 1 13 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.311 -0.511 25135 10936 1 13 . 1 1 68 68 ALA H H 68 7.950 7.950 8.427 -0.477 25135 10937 1 13 . 1 1 69 69 LEU N N 69 118.900 118.900 119.275 -0.375 25135 10938 1 13 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.855 -0.005 25135 10939 1 13 . 1 1 69 69 LEU C C 69 179.200 179.200 178.972 0.228 25135 10940 1 13 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.196 -0.696 25135 10941 1 13 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.577 -0.177 25135 10942 1 13 . 1 1 69 69 LEU H H 69 8.020 8.020 8.367 -0.347 25135 10943 1 13 . 1 1 70 70 GLU N N 70 120.500 120.500 117.762 2.738 25135 10944 1 13 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.777 0.163 25135 10945 1 13 . 1 1 70 70 GLU C C 70 180.500 180.500 178.825 1.675 25135 10946 1 13 . 1 1 70 70 GLU CA C 70 59.900 59.900 60.241 -0.341 25135 10947 1 13 . 1 1 70 70 GLU CB C 70 29.200 29.200 29.174 0.026 25135 10948 1 13 . 1 1 70 70 GLU H H 70 8.590 8.590 7.840 0.750 25135 10949 1 13 . 1 1 71 71 GLU N N 71 122.200 122.200 119.470 2.730 25135 10950 1 13 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.087 -0.017 25135 10951 1 13 . 1 1 71 71 GLU C C 71 179.600 179.600 178.394 1.206 25135 10952 1 13 . 1 1 71 71 GLU CA C 71 59.400 59.400 59.568 -0.168 25135 10953 1 13 . 1 1 71 71 GLU CB C 71 29.400 29.400 28.959 0.441 25135 10954 1 13 . 1 1 71 71 GLU H H 71 8.300 8.300 7.649 0.651 25135 10955 1 13 . 1 1 72 72 ALA N N 72 122.800 122.800 121.730 1.070 25135 10956 1 13 . 1 1 72 72 ALA HA H 72 3.890 3.890 4.040 -0.150 25135 10957 1 13 . 1 1 72 72 ALA C C 72 178.500 178.500 179.655 -1.155 25135 10958 1 13 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.261 0.439 25135 10959 1 13 . 1 1 72 72 ALA CB C 72 17.200 17.200 17.712 -0.512 25135 10960 1 13 . 1 1 72 72 ALA H H 72 8.330 8.330 7.600 0.730 25135 10961 1 13 . 1 1 73 73 ASN N N 73 115.700 115.700 117.420 -1.720 25135 10962 1 13 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.300 0.150 25135 10963 1 13 . 1 1 73 73 ASN C C 73 177.600 177.600 177.753 -0.153 25135 10964 1 13 . 1 1 73 73 ASN CA C 73 56.300 56.300 56.695 -0.395 25135 10965 1 13 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.405 0.495 25135 10966 1 13 . 1 1 73 73 ASN H H 73 8.460 8.460 8.739 -0.279 25135 10967 1 13 . 1 1 74 74 GLY N N 74 105.500 105.500 108.347 -2.847 25135 10968 1 13 . 1 1 74 74 GLY C C 74 177.100 177.100 176.421 0.679 25135 10969 1 13 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.866 0.134 25135 10970 1 13 . 1 1 74 74 GLY H H 74 8.070 8.070 8.589 -0.519 25135 10971 1 13 . 1 1 75 75 GLU N N 75 123.500 123.500 122.741 0.759 25135 10972 1 13 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.842 0.268 25135 10973 1 13 . 1 1 75 75 GLU C C 75 178.500 178.500 179.254 -0.754 25135 10974 1 13 . 1 1 75 75 GLU CA C 75 58.700 58.700 59.298 -0.598 25135 10975 1 13 . 1 1 75 75 GLU CB C 75 29.900 29.900 29.681 0.219 25135 10976 1 13 . 1 1 75 75 GLU H H 75 8.110 8.110 8.328 -0.218 25135 10977 1 13 . 1 1 76 76 ILE N N 76 120.300 120.300 119.334 0.966 25135 10978 1 13 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.840 -0.020 25135 10979 1 13 . 1 1 76 76 ILE C C 76 178.300 178.300 178.288 0.012 25135 10980 1 13 . 1 1 76 76 ILE CA C 76 65.500 65.500 65.333 0.167 25135 10981 1 13 . 1 1 76 76 ILE CB C 76 37.900 37.900 38.041 -0.141 25135 10982 1 13 . 1 1 76 76 ILE H H 76 8.330 8.330 8.775 -0.445 25135 10983 1 13 . 1 1 77 77 GLU N N 77 119.400 119.400 120.148 -0.748 25135 10984 1 13 . 1 1 77 77 GLU HA H 77 3.920 3.920 3.999 -0.079 25135 10985 1 13 . 1 1 77 77 GLU C C 77 180.200 180.200 178.522 1.678 25135 10986 1 13 . 1 1 77 77 GLU CA C 77 59.700 59.700 59.380 0.320 25135 10987 1 13 . 1 1 77 77 GLU CB C 77 29.300 29.300 29.609 -0.309 25135 10988 1 13 . 1 1 77 77 GLU H H 77 7.860 7.860 8.076 -0.216 25135 10989 1 13 . 1 1 78 78 LYS N N 78 121.600 121.600 118.416 3.184 25135 10990 1 13 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.044 -0.144 25135 10991 1 13 . 1 1 78 78 LYS C C 78 179.200 179.200 178.331 0.869 25135 10992 1 13 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.618 1.282 25135 10993 1 13 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.107 0.193 25135 10994 1 13 . 1 1 78 78 LYS H H 78 7.760 7.760 8.340 -0.580 25135 10995 1 13 . 1 1 79 79 PHE N N 79 115.900 115.900 116.538 -0.638 25135 10996 1 13 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.563 0.117 25135 10997 1 13 . 1 1 79 79 PHE C C 79 174.100 174.100 176.519 -2.419 25135 10998 1 13 . 1 1 79 79 PHE CA C 79 58.200 58.200 57.752 0.448 25135 10999 1 13 . 1 1 79 79 PHE CB C 79 36.900 36.900 39.713 -2.813 25135 11000 1 13 . 1 1 79 79 PHE H H 79 8.170 8.170 7.580 0.590 25135 11001 1 13 . 1 1 80 80 SER N N 80 113.300 113.300 115.129 -1.829 25135 11002 1 13 . 1 1 80 80 SER HA H 80 4.500 4.500 4.193 0.307 25135 11003 1 13 . 1 1 80 80 SER C C 80 173.700 173.700 174.628 -0.928 25135 11004 1 13 . 1 1 80 80 SER CA C 80 60.500 60.500 60.594 -0.094 25135 11005 1 13 . 1 1 80 80 SER CB C 80 63.400 63.400 63.521 -0.121 25135 11006 1 13 . 1 1 80 80 SER H H 80 7.700 7.700 7.374 0.326 25135 11007 1 13 . 1 1 81 81 ASN N N 81 119.500 119.500 121.259 -1.759 25135 11008 1 13 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.685 0.285 25135 11009 1 13 . 1 1 81 81 ASN CA C 81 52.100 52.100 53.377 -1.277 25135 11010 1 13 . 1 1 81 81 ASN CB C 81 40.300 40.300 38.873 1.427 25135 11011 1 13 . 1 1 81 81 ASN H H 81 7.290 7.290 7.812 -0.522 25135 11012 1 13 . 1 1 82 82 ARG N N 82 127.400 127.400 126.881 0.519 25135 11013 1 13 . 1 1 82 82 ARG HA H 82 3.590 3.590 3.021 0.569 25135 11014 1 13 . 1 1 82 82 ARG C C 82 177.700 177.700 176.693 1.007 25135 11015 1 13 . 1 1 82 82 ARG CA C 82 59.800 59.800 59.136 0.664 25135 11016 1 13 . 1 1 82 82 ARG CB C 82 30.100 30.100 28.812 1.288 25135 11017 1 13 . 1 1 82 82 ARG H H 82 9.050 9.050 8.572 0.478 25135 11018 1 13 . 1 1 83 83 SER N N 83 114.600 114.600 113.908 0.692 25135 11019 1 13 . 1 1 83 83 SER HA H 83 3.930 3.930 4.242 -0.312 25135 11020 1 13 . 1 1 83 83 SER C C 83 177.100 177.100 176.106 0.994 25135 11021 1 13 . 1 1 83 83 SER CA C 83 62.200 62.200 61.497 0.703 25135 11022 1 13 . 1 1 83 83 SER CB C 83 62.000 62.000 62.580 -0.579 25135 11023 1 13 . 1 1 83 83 SER H H 83 8.390 8.390 8.367 0.023 25135 11024 1 13 . 1 1 84 84 ASN N N 84 119.700 119.700 120.198 -0.498 25135 11025 1 13 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.693 -0.093 25135 11026 1 13 . 1 1 84 84 ASN C C 84 179.100 179.100 177.660 1.440 25135 11027 1 13 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.488 -0.088 25135 11028 1 13 . 1 1 84 84 ASN CB C 84 37.600 37.600 38.684 -1.084 25135 11029 1 13 . 1 1 84 84 ASN H H 84 7.980 7.980 8.105 -0.125 25135 11030 1 13 . 1 1 85 85 ILE N N 85 122.100 122.100 122.525 -0.425 25135 11031 1 13 . 1 1 85 85 ILE HA H 85 3.820 3.820 4.036 -0.216 25135 11032 1 13 . 1 1 85 85 ILE C C 85 176.900 176.900 177.569 -0.669 25135 11033 1 13 . 1 1 85 85 ILE CA C 85 64.700 64.700 65.370 -0.670 25135 11034 1 13 . 1 1 85 85 ILE CB C 85 37.400 37.400 36.874 0.526 25135 11035 1 13 . 1 1 85 85 ILE H H 85 7.760 7.760 7.895 -0.135 25135 11036 1 13 . 1 1 86 86 CYS N N 86 119.200 119.200 116.972 2.228 25135 11037 1 13 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.944 -0.004 25135 11038 1 13 . 1 1 86 86 CYS C C 86 177.400 177.400 177.706 -0.306 25135 11039 1 13 . 1 1 86 86 CYS CA C 86 63.800 63.800 63.369 0.431 25135 11040 1 13 . 1 1 86 86 CYS CB C 86 26.900 26.900 26.144 0.756 25135 11041 1 13 . 1 1 86 86 CYS H H 86 8.330 8.330 7.946 0.384 25135 11042 1 13 . 1 1 87 87 ARG N N 87 119.200 119.200 119.458 -0.258 25135 11043 1 13 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.221 -0.201 25135 11044 1 13 . 1 1 87 87 ARG C C 87 178.500 178.500 178.865 -0.365 25135 11045 1 13 . 1 1 87 87 ARG CA C 87 59.500 59.500 59.405 0.095 25135 11046 1 13 . 1 1 87 87 ARG CB C 87 30.300 30.300 30.337 -0.037 25135 11047 1 13 . 1 1 87 87 ARG H H 87 7.900 7.900 7.494 0.406 25135 11048 1 13 . 1 1 88 88 PHE N N 88 120.300 120.300 121.817 -1.517 25135 11049 1 13 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.412 -0.192 25135 11050 1 13 . 1 1 88 88 PHE C C 88 177.200 177.200 177.020 0.180 25135 11051 1 13 . 1 1 88 88 PHE CA C 88 61.500 61.500 60.677 0.823 25135 11052 1 13 . 1 1 88 88 PHE CB C 88 39.800 39.800 38.995 0.805 25135 11053 1 13 . 1 1 88 88 PHE H H 88 7.760 7.760 8.540 -0.780 25135 11054 1 13 . 1 1 89 89 LEU N N 89 117.900 117.900 119.471 -1.571 25135 11055 1 13 . 1 1 89 89 LEU HA H 89 3.640 3.640 3.069 0.571 25135 11056 1 13 . 1 1 89 89 LEU C C 89 178.700 178.700 178.279 0.421 25135 11057 1 13 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.403 -0.003 25135 11058 1 13 . 1 1 89 89 LEU CB C 89 41.600 41.600 40.835 0.765 25135 11059 1 13 . 1 1 89 89 LEU H H 89 8.590 8.590 8.418 0.172 25135 11060 1 13 . 1 1 90 90 THR N N 90 112.000 112.000 111.618 0.382 25135 11061 1 13 . 1 1 90 90 THR HA H 90 3.980 3.980 4.143 -0.163 25135 11062 1 13 . 1 1 90 90 THR C C 90 174.900 174.900 176.385 -1.485 25135 11063 1 13 . 1 1 90 90 THR CA C 90 65.200 65.200 64.645 0.555 25135 11064 1 13 . 1 1 90 90 THR CB C 90 69.300 69.300 69.416 -0.116 25135 11065 1 13 . 1 1 90 90 THR H H 90 7.690 7.690 7.478 0.212 25135 11066 1 13 . 1 1 91 91 ALA N N 91 122.400 122.400 122.826 -0.426 25135 11067 1 13 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.247 0.023 25135 11068 1 13 . 1 1 91 91 ALA C C 91 177.500 177.500 177.431 0.069 25135 11069 1 13 . 1 1 91 91 ALA CA C 91 53.000 53.000 52.642 0.358 25135 11070 1 13 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.305 0.695 25135 11071 1 13 . 1 1 91 91 ALA H H 91 7.220 7.220 7.642 -0.422 25135 11072 1 13 . 1 1 92 92 SER N N 92 112.900 112.900 112.775 0.125 25135 11073 1 13 . 1 1 92 92 SER HA H 92 4.130 4.130 4.190 -0.060 25135 11074 1 13 . 1 1 92 92 SER CA C 92 57.600 57.600 58.834 -1.234 25135 11075 1 13 . 1 1 92 92 SER CB C 92 64.000 64.000 62.266 1.734 25135 11076 1 13 . 1 1 92 92 SER H H 92 7.510 7.510 7.931 -0.421 25135 11077 1 13 . 1 1 93 93 GLN N N 93 125.700 125.700 123.517 2.183 25135 11078 1 13 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.240 -0.040 25135 11079 1 13 . 1 1 93 93 GLN C C 93 176.700 176.700 176.793 -0.093 25135 11080 1 13 . 1 1 93 93 GLN CA C 93 57.700 57.700 58.493 -0.793 25135 11081 1 13 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.344 -0.344 25135 11082 1 13 . 1 1 93 93 GLN H H 93 8.710 8.710 8.496 0.214 25135 11083 1 13 . 1 1 94 94 ASP N N 94 116.400 116.400 115.275 1.125 25135 11084 1 13 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.775 -0.215 25135 11085 1 13 . 1 1 94 94 ASP CA C 94 54.000 54.000 54.143 -0.143 25135 11086 1 13 . 1 1 94 94 ASP CB C 94 41.700 41.700 41.615 0.085 25135 11087 1 13 . 1 1 94 94 ASP H H 94 7.800 7.800 8.301 -0.501 25135 11088 1 13 . 1 1 95 95 LYS N N 95 114.300 114.300 116.419 -2.119 25135 11089 1 13 . 1 1 95 95 LYS H H 95 8.290 8.290 8.655 -0.365 25135 11090 1 13 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.451 -0.131 25135 11091 1 13 . 1 1 96 96 ILE C C 96 177.000 177.000 176.899 0.101 25135 11092 1 13 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.844 0.956 25135 11093 1 13 . 1 1 96 96 ILE CB C 96 38.100 38.100 39.556 -1.456 25135 11094 1 13 . 1 1 97 97 LEU N N 97 131.100 131.100 128.671 2.429 25135 11095 1 13 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.240 -0.120 25135 11096 1 13 . 1 1 97 97 LEU C C 97 177.200 177.200 177.251 -0.051 25135 11097 1 13 . 1 1 97 97 LEU CA C 97 58.000 58.000 58.652 -0.652 25135 11098 1 13 . 1 1 97 97 LEU CB C 97 42.900 42.900 41.584 1.316 25135 11099 1 13 . 1 1 97 97 LEU H H 97 8.620 8.620 9.038 -0.418 25135 11100 1 13 . 1 1 98 98 PHE N N 98 113.600 113.600 110.543 3.057 25135 11101 1 13 . 1 1 98 98 PHE HA H 98 5.100 5.100 5.139 -0.039 25135 11102 1 13 . 1 1 98 98 PHE C C 98 175.400 175.400 175.711 -0.311 25135 11103 1 13 . 1 1 98 98 PHE CA C 98 55.700 55.700 53.980 1.720 25135 11104 1 13 . 1 1 98 98 PHE CB C 98 37.600 37.600 37.187 0.413 25135 11105 1 13 . 1 1 98 98 PHE H H 98 8.450 8.450 8.015 0.435 25135 11106 1 13 . 1 1 99 99 LYS N N 99 119.500 119.500 124.141 -4.641 25135 11107 1 13 . 1 1 99 99 LYS HA H 99 3.880 3.880 3.677 0.203 25135 11108 1 13 . 1 1 99 99 LYS C C 99 178.900 178.900 177.999 0.901 25135 11109 1 13 . 1 1 99 99 LYS CA C 99 61.100 61.100 60.297 0.803 25135 11110 1 13 . 1 1 99 99 LYS CB C 99 33.500 33.500 32.197 1.303 25135 11111 1 13 . 1 1 99 99 LYS H H 99 6.790 6.790 7.330 -0.540 25135 11112 1 13 . 1 1 100 100 ASP N N 100 117.800 117.800 118.483 -0.683 25135 11113 1 13 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.430 0.180 25135 11114 1 13 . 1 1 100 100 ASP C C 100 179.000 179.000 178.677 0.323 25135 11115 1 13 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.054 0.746 25135 11116 1 13 . 1 1 100 100 ASP CB C 100 40.400 40.400 40.130 0.270 25135 11117 1 13 . 1 1 100 100 ASP H H 100 8.520 8.520 8.694 -0.174 25135 11118 1 13 . 1 1 101 101 VAL N N 101 122.600 122.600 118.908 3.692 25135 11119 1 13 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.807 0.053 25135 11120 1 13 . 1 1 101 101 VAL C C 101 177.100 177.100 178.088 -0.988 25135 11121 1 13 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.169 -0.469 25135 11122 1 13 . 1 1 101 101 VAL CB C 101 32.300 32.300 31.881 0.419 25135 11123 1 13 . 1 1 101 101 VAL H H 101 8.210 8.210 7.888 0.322 25135 11124 1 13 . 1 1 102 102 ASN N N 102 121.000 121.000 118.113 2.887 25135 11125 1 13 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.810 -0.250 25135 11126 1 13 . 1 1 102 102 ASN C C 102 178.500 178.500 178.047 0.453 25135 11127 1 13 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.575 -0.375 25135 11128 1 13 . 1 1 102 102 ASN CB C 102 37.900 37.900 38.262 -0.362 25135 11129 1 13 . 1 1 102 102 ASN H H 102 9.060 9.060 8.523 0.537 25135 11130 1 13 . 1 1 103 103 ARG N N 103 120.700 120.700 119.650 1.050 25135 11131 1 13 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.196 -0.036 25135 11132 1 13 . 1 1 103 103 ARG C C 103 177.900 177.900 178.120 -0.220 25135 11133 1 13 . 1 1 103 103 ARG CA C 103 59.100 59.100 59.411 -0.311 25135 11134 1 13 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.630 -0.730 25135 11135 1 13 . 1 1 103 103 ARG H H 103 7.640 7.640 8.197 -0.557 25135 11136 1 13 . 1 1 104 104 LYS N N 104 119.700 119.700 120.913 -1.213 25135 11137 1 13 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.276 -0.086 25135 11138 1 13 . 1 1 104 104 LYS C C 104 179.300 179.300 178.878 0.422 25135 11139 1 13 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.282 0.818 25135 11140 1 13 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.843 -0.343 25135 11141 1 13 . 1 1 104 104 LYS H H 104 7.960 7.960 8.238 -0.278 25135 11142 1 13 . 1 1 105 105 LEU N N 105 118.200 118.200 121.295 -3.095 25135 11143 1 13 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.236 -0.196 25135 11144 1 13 . 1 1 105 105 LEU C C 105 178.400 178.400 178.723 -0.323 25135 11145 1 13 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.249 0.251 25135 11146 1 13 . 1 1 105 105 LEU CB C 105 42.500 42.500 42.141 0.359 25135 11147 1 13 . 1 1 105 105 LEU H H 105 8.990 8.990 9.190 -0.200 25135 11148 1 13 . 1 1 106 106 SER N N 106 111.700 111.700 114.440 -2.740 25135 11149 1 13 . 1 1 106 106 SER HA H 106 3.870 3.870 4.394 -0.524 25135 11150 1 13 . 1 1 106 106 SER C C 106 177.500 177.500 176.877 0.623 25135 11151 1 13 . 1 1 106 106 SER CA C 106 61.400 61.400 62.172 -0.772 25135 11152 1 13 . 1 1 106 106 SER CB C 106 62.600 62.600 62.459 0.141 25135 11153 1 13 . 1 1 106 106 SER H H 106 7.980 7.980 7.900 0.080 25135 11154 1 13 . 1 1 107 107 ASP N N 107 122.000 122.000 121.520 0.480 25135 11155 1 13 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.388 0.052 25135 11156 1 13 . 1 1 107 107 ASP C C 107 179.700 179.700 178.817 0.883 25135 11157 1 13 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.314 0.586 25135 11158 1 13 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.695 -0.095 25135 11159 1 13 . 1 1 107 107 ASP H H 107 8.500 8.500 7.704 0.796 25135 11160 1 13 . 1 1 108 108 VAL N N 108 119.200 119.200 118.629 0.571 25135 11161 1 13 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.827 0.183 25135 11162 1 13 . 1 1 108 108 VAL C C 108 178.400 178.400 177.468 0.932 25135 11163 1 13 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.484 -0.884 25135 11164 1 13 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.332 0.168 25135 11165 1 13 . 1 1 108 108 VAL H H 108 8.830 8.830 7.541 1.289 25135 11166 1 13 . 1 1 109 109 TRP N N 109 121.900 121.900 121.952 -0.052 25135 11167 1 13 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.940 0.330 25135 11168 1 13 . 1 1 109 109 TRP C C 109 178.000 178.000 178.093 -0.093 25135 11169 1 13 . 1 1 109 109 TRP CA C 109 60.100 60.100 59.842 0.258 25135 11170 1 13 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.577 0.123 25135 11171 1 13 . 1 1 109 109 TRP H H 109 8.710 8.710 7.811 0.899 25135 11172 1 13 . 1 1 110 110 LYS N N 110 119.500 119.500 117.967 1.533 25135 11173 1 13 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.686 -0.056 25135 11174 1 13 . 1 1 110 110 LYS C C 110 178.000 178.000 178.862 -0.862 25135 11175 1 13 . 1 1 110 110 LYS CA C 110 60.500 60.500 60.112 0.388 25135 11176 1 13 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.055 0.145 25135 11177 1 13 . 1 1 110 110 LYS H H 110 8.010 8.010 7.903 0.107 25135 11178 1 13 . 1 1 111 111 GLU N N 111 116.700 116.700 118.966 -2.266 25135 11179 1 13 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.140 -0.130 25135 11180 1 13 . 1 1 111 111 GLU C C 111 178.400 178.400 178.861 -0.461 25135 11181 1 13 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.244 0.556 25135 11182 1 13 . 1 1 111 111 GLU CB C 111 30.400 30.400 30.077 0.323 25135 11183 1 13 . 1 1 111 111 GLU H H 111 7.000 7.000 7.536 -0.536 25135 11184 1 13 . 1 1 112 112 LEU N N 112 119.000 119.000 122.002 -3.002 25135 11185 1 13 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.172 -0.432 25135 11186 1 13 . 1 1 112 112 LEU C C 112 177.600 177.600 177.883 -0.283 25135 11187 1 13 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.264 0.535 25135 11188 1 13 . 1 1 112 112 LEU CB C 112 42.200 42.200 42.065 0.135 25135 11189 1 13 . 1 1 112 112 LEU H H 112 8.380 8.380 8.382 -0.002 25135 11190 1 13 . 1 1 113 113 SER N N 113 113.100 113.100 114.357 -1.257 25135 11191 1 13 . 1 1 113 113 SER HA H 113 3.190 3.190 3.555 -0.365 25135 11192 1 13 . 1 1 113 113 SER C C 113 176.300 176.300 176.029 0.271 25135 11193 1 13 . 1 1 113 113 SER CA C 113 61.600 61.600 61.356 0.243 25135 11194 1 13 . 1 1 113 113 SER CB C 113 61.800 61.800 61.861 -0.061 25135 11195 1 13 . 1 1 113 113 SER H H 113 8.490 8.490 8.027 0.463 25135 11196 1 13 . 1 1 114 114 LEU N N 114 121.500 121.500 120.912 0.588 25135 11197 1 13 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.206 -0.186 25135 11198 1 13 . 1 1 114 114 LEU C C 114 179.100 179.100 177.541 1.559 25135 11199 1 13 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.647 0.353 25135 11200 1 13 . 1 1 114 114 LEU CB C 114 41.800 41.800 40.663 1.137 25135 11201 1 13 . 1 1 114 114 LEU H H 114 6.810 6.810 7.234 -0.424 25135 11202 1 13 . 1 1 115 115 LEU N N 115 118.200 118.200 118.322 -0.122 25135 11203 1 13 . 1 1 115 115 LEU HA H 115 4.060 4.060 4.022 0.038 25135 11204 1 13 . 1 1 115 115 LEU C C 115 179.600 179.600 179.279 0.321 25135 11205 1 13 . 1 1 115 115 LEU CA C 115 57.700 57.700 56.925 0.775 25135 11206 1 13 . 1 1 115 115 LEU CB C 115 43.100 43.100 42.020 1.080 25135 11207 1 13 . 1 1 115 115 LEU H H 115 7.270 7.270 7.112 0.158 25135 11208 1 13 . 1 1 116 116 LEU N N 116 118.700 118.700 120.310 -1.610 25135 11209 1 13 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.832 0.018 25135 11210 1 13 . 1 1 116 116 LEU C C 116 179.300 179.300 179.192 0.108 25135 11211 1 13 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.328 -0.728 25135 11212 1 13 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.680 -0.280 25135 11213 1 13 . 1 1 116 116 LEU H H 116 8.440 8.440 8.516 -0.076 25135 11214 1 13 . 1 1 117 117 GLN N N 117 119.500 119.500 116.693 2.807 25135 11215 1 13 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.314 0.026 25135 11216 1 13 . 1 1 117 117 GLN C C 117 178.200 178.200 178.398 -0.198 25135 11217 1 13 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.733 0.067 25135 11218 1 13 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.552 0.248 25135 11219 1 13 . 1 1 117 117 GLN H H 117 8.030 8.030 8.493 -0.463 25135 11220 1 13 . 1 1 118 118 VAL N N 118 117.600 117.600 119.244 -1.644 25135 11221 1 13 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.806 0.034 25135 11222 1 13 . 1 1 118 118 VAL C C 118 177.900 177.900 178.269 -0.369 25135 11223 1 13 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.593 -0.193 25135 11224 1 13 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.661 1.239 25135 11225 1 13 . 1 1 118 118 VAL H H 118 8.110 8.110 7.682 0.428 25135 11226 1 13 . 1 1 119 119 GLU N N 119 116.900 116.900 118.837 -1.937 25135 11227 1 13 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.116 0.194 25135 11228 1 13 . 1 1 119 119 GLU C C 119 177.700 177.700 179.535 -1.835 25135 11229 1 13 . 1 1 119 119 GLU CA C 119 58.400 58.400 59.267 -0.867 25135 11230 1 13 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.234 1.466 25135 11231 1 13 . 1 1 119 119 GLU H H 119 8.620 8.620 8.609 0.011 25135 11232 1 13 . 1 1 120 120 GLN N N 120 113.300 113.300 116.721 -3.421 25135 11233 1 13 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.473 -0.023 25135 11234 1 13 . 1 1 120 120 GLN C C 120 174.700 174.700 176.168 -1.468 25135 11235 1 13 . 1 1 120 120 GLN CA C 120 54.500 54.500 56.647 -2.147 25135 11236 1 13 . 1 1 120 120 GLN CB C 120 28.600 28.600 30.230 -1.630 25135 11237 1 13 . 1 1 120 120 GLN H H 120 7.350 7.350 8.188 -0.838 25135 11238 1 13 . 1 1 121 121 ARG N N 121 114.800 114.800 113.021 1.779 25135 11239 1 13 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.144 -0.024 25135 11240 1 13 . 1 1 121 121 ARG C C 121 175.600 175.600 175.138 0.462 25135 11241 1 13 . 1 1 121 121 ARG CA C 121 56.600 56.600 56.740 -0.140 25135 11242 1 13 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.353 0.347 25135 11243 1 13 . 1 1 121 121 ARG H H 121 7.410 7.410 7.969 -0.559 25135 11244 1 13 . 1 1 122 122 MET N N 122 120.300 120.300 117.878 2.422 25135 11245 1 13 . 1 1 122 122 MET HA H 122 4.600 4.600 4.845 -0.245 25135 11246 1 13 . 1 1 122 122 MET CA C 122 53.700 53.700 54.182 -0.482 25135 11247 1 13 . 1 1 122 122 MET CB C 122 34.700 34.700 32.701 1.999 25135 11248 1 13 . 1 1 122 122 MET H H 122 7.760 7.760 7.329 0.431 25135 11249 1 13 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.625 -0.145 25135 11250 1 13 . 1 1 123 123 PRO C C 123 176.300 176.300 175.594 0.706 25135 11251 1 13 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.233 -0.433 25135 11252 1 13 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.670 -0.370 25135 11253 1 13 . 1 1 124 124 VAL N N 124 120.000 120.000 123.658 -3.658 25135 11254 1 13 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.367 -0.287 25135 11255 1 13 . 1 1 124 124 VAL C C 124 175.800 175.800 174.969 0.831 25135 11256 1 13 . 1 1 124 124 VAL CA C 124 61.700 61.700 60.416 1.284 25135 11257 1 13 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.905 -1.805 25135 11258 1 13 . 1 1 124 124 VAL H H 124 8.080 8.080 8.343 -0.263 25135 11259 1 13 . 1 1 125 125 SER N N 125 121.200 121.200 118.199 3.001 25135 11260 1 13 . 1 1 125 125 SER HA H 125 4.800 4.800 4.849 -0.049 25135 11261 1 13 . 1 1 125 125 SER CA C 125 56.200 56.200 55.839 0.361 25135 11262 1 13 . 1 1 125 125 SER CB C 125 63.700 63.700 64.528 -0.828 25135 11263 1 13 . 1 1 125 125 SER H H 125 8.380 8.380 8.156 0.224 25135 11264 1 13 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.205 0.275 25135 11265 1 13 . 1 1 126 126 PRO C C 126 177.100 177.100 176.194 0.906 25135 11266 1 13 . 1 1 126 126 PRO CA C 126 63.400 63.400 63.428 -0.028 25135 11267 1 13 . 1 1 126 126 PRO CB C 126 31.900 31.900 30.609 1.291 25135 11268 1 13 . 1 1 127 127 ILE N N 127 119.900 119.900 121.892 -1.992 25135 11269 1 13 . 1 1 127 127 ILE HA H 127 4.140 4.140 4.057 0.083 25135 11270 1 13 . 1 1 127 127 ILE C C 127 176.300 176.300 176.423 -0.123 25135 11271 1 13 . 1 1 127 127 ILE CA C 127 61.300 61.300 62.058 -0.758 25135 11272 1 13 . 1 1 127 127 ILE CB C 127 38.800 38.800 36.009 2.791 25135 11273 1 13 . 1 1 127 127 ILE H H 127 8.050 8.050 8.438 -0.388 25135 11274 1 13 . 1 1 128 128 SER N N 128 119.000 119.000 118.741 0.259 25135 11275 1 13 . 1 1 128 128 SER HA H 128 4.400 4.400 4.253 0.147 25135 11276 1 13 . 1 1 128 128 SER C C 128 174.600 174.600 175.153 -0.553 25135 11277 1 13 . 1 1 128 128 SER CA C 128 58.300 58.300 60.839 -2.539 25135 11278 1 13 . 1 1 128 128 SER CB C 128 63.600 63.600 63.517 0.083 25135 11279 1 13 . 1 1 128 128 SER H H 128 8.230 8.230 8.783 -0.553 25135 11280 1 13 . 1 1 129 129 GLN N N 129 122.600 122.600 118.500 4.100 25135 11281 1 13 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.546 -0.316 25135 11282 1 13 . 1 1 129 129 GLN C C 129 176.200 176.200 176.090 0.110 25135 11283 1 13 . 1 1 129 129 GLN CA C 129 56.300 56.300 54.148 2.152 25135 11284 1 13 . 1 1 129 129 GLN CB C 129 29.100 29.100 27.833 1.267 25135 11285 1 13 . 1 1 129 129 GLN H H 129 8.340 8.340 7.952 0.388 25135 11286 1 13 . 1 1 130 130 GLY N N 130 109.200 109.200 108.250 0.950 25135 11287 1 13 . 1 1 130 130 GLY C C 130 175.100 175.100 173.701 1.399 25135 11288 1 13 . 1 1 130 130 GLY CA C 130 45.200 45.200 45.532 -0.333 25135 11289 1 13 . 1 1 130 130 GLY H H 130 8.150 8.150 7.876 0.274 25135 11290 1 13 . 1 1 131 131 ALA N N 131 124.700 124.700 125.331 -0.631 25135 11291 1 13 . 1 1 131 131 ALA HA H 131 4.230 4.230 3.171 1.059 25135 11292 1 13 . 1 1 131 131 ALA C C 131 178.700 178.700 177.290 1.410 25135 11293 1 13 . 1 1 131 131 ALA CA C 131 53.800 53.800 51.438 2.362 25135 11294 1 13 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.416 0.484 25135 11295 1 13 . 1 1 131 131 ALA H H 131 8.070 8.070 8.329 -0.259 25135 11296 1 13 . 1 1 132 132 SER N N 132 113.200 113.200 114.602 -1.402 25135 11297 1 13 . 1 1 132 132 SER HA H 132 4.580 4.580 4.371 0.209 25135 11298 1 13 . 1 1 132 132 SER C C 132 175.700 175.700 175.873 -0.173 25135 11299 1 13 . 1 1 132 132 SER CA C 132 58.500 58.500 57.872 0.628 25135 11300 1 13 . 1 1 132 132 SER CB C 132 63.800 63.800 62.556 1.244 25135 11301 1 13 . 1 1 132 132 SER H H 132 8.340 8.340 7.973 0.367 25135 11302 1 13 . 1 1 133 133 TRP N N 133 122.800 122.800 122.301 0.499 25135 11303 1 13 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.346 0.184 25135 11304 1 13 . 1 1 133 133 TRP C C 133 178.200 178.200 177.880 0.320 25135 11305 1 13 . 1 1 133 133 TRP CA C 133 58.900 58.900 59.584 -0.684 25135 11306 1 13 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.291 1.909 25135 11307 1 13 . 1 1 133 133 TRP H H 133 8.380 8.380 7.477 0.903 25135 11308 1 13 . 1 1 134 134 ALA N N 134 120.600 120.600 121.486 -0.886 25135 11309 1 13 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.892 0.358 25135 11310 1 13 . 1 1 134 134 ALA C C 134 180.700 180.700 180.123 0.577 25135 11311 1 13 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.162 0.538 25135 11312 1 13 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.666 0.334 25135 11313 1 13 . 1 1 134 134 ALA H H 134 8.420 8.420 8.313 0.107 25135 11314 1 13 . 1 1 135 135 GLN N N 135 118.900 118.900 117.904 0.996 25135 11315 1 13 . 1 1 135 135 GLN HA H 135 4.100 4.100 4.019 0.081 25135 11316 1 13 . 1 1 135 135 GLN C C 135 179.200 179.200 179.030 0.170 25135 11317 1 13 . 1 1 135 135 GLN CA C 135 59.000 59.000 58.866 0.134 25135 11318 1 13 . 1 1 135 135 GLN CB C 135 28.500 28.500 28.454 0.046 25135 11319 1 13 . 1 1 135 135 GLN H H 135 7.860 7.860 7.952 -0.092 25135 11320 1 13 . 1 1 136 136 GLU N N 136 120.900 120.900 119.275 1.625 25135 11321 1 13 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.128 -0.308 25135 11322 1 13 . 1 1 136 136 GLU C C 136 177.800 177.800 179.010 -1.210 25135 11323 1 13 . 1 1 136 136 GLU CA C 136 59.000 59.000 59.324 -0.324 25135 11324 1 13 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.446 0.554 25135 11325 1 13 . 1 1 136 136 GLU H H 136 7.720 7.720 7.710 0.010 25135 11326 1 13 . 1 1 137 137 ASP N N 137 118.200 118.200 120.558 -2.358 25135 11327 1 13 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.420 0.040 25135 11328 1 13 . 1 1 137 137 ASP C C 137 178.100 178.100 178.548 -0.448 25135 11329 1 13 . 1 1 137 137 ASP CA C 137 57.200 57.200 57.886 -0.686 25135 11330 1 13 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.612 -0.512 25135 11331 1 13 . 1 1 137 137 ASP H H 137 8.800 8.800 8.622 0.178 25135 11332 1 13 . 1 1 138 138 GLN N N 138 116.900 116.900 118.567 -1.667 25135 11333 1 13 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.134 -0.254 25135 11334 1 13 . 1 1 138 138 GLN C C 138 178.400 178.400 178.180 0.220 25135 11335 1 13 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.446 0.454 25135 11336 1 13 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.300 0.400 25135 11337 1 13 . 1 1 138 138 GLN H H 138 7.510 7.510 7.699 -0.189 25135 11338 1 13 . 1 1 139 139 GLN N N 139 119.500 119.500 119.534 -0.034 25135 11339 1 13 . 1 1 139 139 GLN HA H 139 4.110 4.110 4.043 0.067 25135 11340 1 13 . 1 1 139 139 GLN C C 139 178.900 178.900 178.771 0.129 25135 11341 1 13 . 1 1 139 139 GLN CA C 139 58.900 58.900 59.134 -0.234 25135 11342 1 13 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.489 0.111 25135 11343 1 13 . 1 1 139 139 GLN H H 139 7.520 7.520 7.628 -0.108 25135 11344 1 13 . 1 1 140 140 ASP N N 140 121.700 121.700 118.586 3.114 25135 11345 1 13 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.602 -0.582 25135 11346 1 13 . 1 1 140 140 ASP C C 140 177.700 177.700 177.750 -0.050 25135 11347 1 13 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.383 0.916 25135 11348 1 13 . 1 1 140 140 ASP CB C 140 40.700 40.700 40.883 -0.183 25135 11349 1 13 . 1 1 140 140 ASP H H 140 9.130 9.130 8.442 0.688 25135 11350 1 13 . 1 1 141 141 ALA N N 141 121.000 121.000 124.157 -3.157 25135 11351 1 13 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.150 0.100 25135 11352 1 13 . 1 1 141 141 ALA C C 141 180.800 180.800 179.126 1.674 25135 11353 1 13 . 1 1 141 141 ALA CA C 141 55.400 55.400 55.350 0.050 25135 11354 1 13 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.622 0.878 25135 11355 1 13 . 1 1 141 141 ALA H H 141 8.720 8.720 7.824 0.896 25135 11356 1 13 . 1 1 142 142 ASP N N 142 119.100 119.100 117.890 1.210 25135 11357 1 13 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.369 0.061 25135 11358 1 13 . 1 1 142 142 ASP C C 142 178.600 178.600 179.016 -0.416 25135 11359 1 13 . 1 1 142 142 ASP CA C 142 57.600 57.600 57.648 -0.048 25135 11360 1 13 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.477 0.823 25135 11361 1 13 . 1 1 142 142 ASP H H 142 7.850 7.850 8.663 -0.813 25135 11362 1 13 . 1 1 143 143 GLU N N 143 119.500 119.500 117.965 1.535 25135 11363 1 13 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.129 -0.099 25135 11364 1 13 . 1 1 143 143 GLU C C 143 180.100 180.100 178.309 1.791 25135 11365 1 13 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.887 0.813 25135 11366 1 13 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.607 -0.007 25135 11367 1 13 . 1 1 143 143 GLU H H 143 7.860 7.860 7.659 0.201 25135 11368 1 13 . 1 1 144 144 ASP N N 144 121.000 121.000 121.450 -0.450 25135 11369 1 13 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.377 0.273 25135 11370 1 13 . 1 1 144 144 ASP C C 144 179.500 179.500 178.361 1.139 25135 11371 1 13 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.696 -0.196 25135 11372 1 13 . 1 1 144 144 ASP CB C 144 41.100 41.100 40.567 0.533 25135 11373 1 13 . 1 1 144 144 ASP H H 144 8.840 8.840 8.308 0.532 25135 11374 1 13 . 1 1 145 145 ARG N N 145 121.400 121.400 118.339 3.061 25135 11375 1 13 . 1 1 145 145 ARG HA H 145 4.130 4.130 4.117 0.013 25135 11376 1 13 . 1 1 145 145 ARG C C 145 178.700 178.700 179.218 -0.518 25135 11377 1 13 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.314 0.186 25135 11378 1 13 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.565 0.035 25135 11379 1 13 . 1 1 145 145 ARG H H 145 8.510 8.510 8.065 0.445 25135 11380 1 13 . 1 1 146 146 ARG N N 146 119.400 119.400 118.882 0.518 25135 11381 1 13 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.222 -0.112 25135 11382 1 13 . 1 1 146 146 ARG C C 146 178.400 178.400 178.330 0.070 25135 11383 1 13 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.578 0.822 25135 11384 1 13 . 1 1 146 146 ARG CB C 146 30.200 30.200 29.961 0.239 25135 11385 1 13 . 1 1 146 146 ARG H H 146 7.680 7.680 7.821 -0.141 25135 11386 1 13 . 1 1 147 147 ALA N N 147 120.300 120.300 124.224 -3.924 25135 11387 1 13 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.203 0.107 25135 11388 1 13 . 1 1 147 147 ALA C C 147 179.500 179.500 179.218 0.282 25135 11389 1 13 . 1 1 147 147 ALA CA C 147 54.100 54.100 55.055 -0.955 25135 11390 1 13 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.768 0.332 25135 11391 1 13 . 1 1 147 147 ALA H H 147 7.840 7.840 8.141 -0.301 25135 11392 1 13 . 1 1 148 148 PHE N N 148 119.900 119.900 117.940 1.960 25135 11393 1 13 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.538 -0.148 25135 11394 1 13 . 1 1 148 148 PHE C C 148 176.900 176.900 176.662 0.238 25135 11395 1 13 . 1 1 148 148 PHE CA C 148 60.500 60.500 59.159 1.341 25135 11396 1 13 . 1 1 148 148 PHE CB C 148 39.700 39.700 38.331 1.369 25135 11397 1 13 . 1 1 148 148 PHE H H 148 8.210 8.210 8.506 -0.296 25135 11398 1 13 . 1 1 149 149 GLN N N 149 118.500 118.500 118.022 0.478 25135 11399 1 13 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.673 0.457 25135 11400 1 13 . 1 1 149 149 GLN C C 149 176.400 176.400 177.037 -0.637 25135 11401 1 13 . 1 1 149 149 GLN CA C 149 56.900 56.900 57.304 -0.404 25135 11402 1 13 . 1 1 149 149 GLN CB C 149 28.900 28.900 28.424 0.476 25135 11403 1 13 . 1 1 149 149 GLN H H 149 7.960 7.960 7.606 0.354 25135 11404 1 13 . 1 1 150 150 MET N N 150 118.000 118.000 117.673 0.327 25135 11405 1 13 . 1 1 150 150 MET HA H 150 4.360 4.360 4.362 -0.002 25135 11406 1 13 . 1 1 150 150 MET C C 150 176.300 176.300 176.360 -0.060 25135 11407 1 13 . 1 1 150 150 MET CA C 150 56.000 56.000 57.437 -1.437 25135 11408 1 13 . 1 1 150 150 MET CB C 150 32.800 32.800 34.223 -1.423 25135 11409 1 13 . 1 1 150 150 MET H H 150 7.760 7.760 7.502 0.258 25135 11410 1 13 . 1 1 151 151 LEU N N 151 121.200 121.200 120.114 1.086 25135 11411 1 13 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.414 -0.144 25135 11412 1 13 . 1 1 151 151 LEU C C 151 177.100 177.100 176.473 0.627 25135 11413 1 13 . 1 1 151 151 LEU CA C 151 55.400 55.400 54.215 1.185 25135 11414 1 13 . 1 1 151 151 LEU CB C 151 42.300 42.300 41.907 0.393 25135 11415 1 13 . 1 1 151 151 LEU H H 151 7.690 7.690 8.103 -0.413 25135 11416 1 13 . 1 1 152 152 ARG N N 152 121.800 121.800 124.669 -2.869 25135 11417 1 13 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.438 -0.198 25135 11418 1 13 . 1 1 152 152 ARG C C 152 176.000 176.000 175.921 0.079 25135 11419 1 13 . 1 1 152 152 ARG CA C 152 56.200 56.200 55.996 0.204 25135 11420 1 13 . 1 1 152 152 ARG CB C 152 30.900 30.900 28.973 1.927 25135 11421 1 13 . 1 1 152 152 ARG H H 152 8.120 8.120 8.835 -0.715 25135 11422 1 13 . 1 1 153 153 ARG N N 153 123.100 123.100 121.646 1.454 25135 11423 1 13 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.496 -0.136 25135 11424 1 13 . 1 1 153 153 ARG C C 153 174.900 174.900 174.306 0.594 25135 11425 1 13 . 1 1 153 153 ARG CA C 153 56.000 56.000 56.212 -0.212 25135 11426 1 13 . 1 1 153 153 ARG CB C 153 31.000 31.000 31.541 -0.541 25135 11427 1 13 . 1 1 153 153 ARG H H 153 8.380 8.380 7.918 0.462 25135 11428 1 14 . 1 1 2 2 GLU N N 2 120.000 120.000 122.372 -2.372 25135 11429 1 14 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.192 -0.212 25135 11430 1 14 . 1 1 2 2 GLU C C 2 178.400 178.400 178.270 0.130 25135 11431 1 14 . 1 1 2 2 GLU CA C 2 59.400 59.400 58.896 0.504 25135 11432 1 14 . 1 1 2 2 GLU CB C 2 29.200 29.200 30.017 -0.817 25135 11433 1 14 . 1 1 2 2 GLU H H 2 8.140 8.140 8.769 -0.629 25135 11434 1 14 . 1 1 3 3 ASN N N 3 117.300 117.300 117.220 0.080 25135 11435 1 14 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.539 0.101 25135 11436 1 14 . 1 1 3 3 ASN C C 3 177.900 177.900 177.182 0.718 25135 11437 1 14 . 1 1 3 3 ASN CA C 3 55.800 55.800 55.461 0.339 25135 11438 1 14 . 1 1 3 3 ASN CB C 3 39.000 39.000 37.761 1.239 25135 11439 1 14 . 1 1 3 3 ASN H H 3 7.960 7.960 8.696 -0.736 25135 11440 1 14 . 1 1 4 4 LEU N N 4 119.700 119.700 120.982 -1.282 25135 11441 1 14 . 1 1 4 4 LEU HA H 4 4.030 4.030 4.054 -0.024 25135 11442 1 14 . 1 1 4 4 LEU C C 4 177.900 177.900 178.144 -0.244 25135 11443 1 14 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.736 -0.336 25135 11444 1 14 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.715 0.284 25135 11445 1 14 . 1 1 4 4 LEU H H 4 8.450 8.450 8.392 0.058 25135 11446 1 14 . 1 1 5 5 LYS N N 5 118.200 118.200 116.709 1.491 25135 11447 1 14 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.023 -0.083 25135 11448 1 14 . 1 1 5 5 LYS C C 5 179.200 179.200 179.448 -0.248 25135 11449 1 14 . 1 1 5 5 LYS CA C 5 60.000 60.000 58.914 1.085 25135 11450 1 14 . 1 1 5 5 LYS CB C 5 31.900 31.900 31.347 0.553 25135 11451 1 14 . 1 1 5 5 LYS H H 5 7.940 7.940 8.214 -0.274 25135 11452 1 14 . 1 1 6 6 HIS N N 6 118.400 118.400 119.833 -1.433 25135 11453 1 14 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.521 -0.101 25135 11454 1 14 . 1 1 6 6 HIS C C 6 178.200 178.200 177.671 0.529 25135 11455 1 14 . 1 1 6 6 HIS CA C 6 59.100 59.100 58.458 0.642 25135 11456 1 14 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.234 0.666 25135 11457 1 14 . 1 1 6 6 HIS H H 6 7.710 7.710 7.714 -0.004 25135 11458 1 14 . 1 1 7 7 ILE N N 7 120.300 120.300 121.544 -1.244 25135 11459 1 14 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.443 -0.003 25135 11460 1 14 . 1 1 7 7 ILE C C 7 176.500 176.500 177.618 -1.118 25135 11461 1 14 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.846 0.154 25135 11462 1 14 . 1 1 7 7 ILE CB C 7 38.700 38.700 37.981 0.719 25135 11463 1 14 . 1 1 7 7 ILE H H 7 7.950 7.950 8.439 -0.489 25135 11464 1 14 . 1 1 8 8 ILE N N 8 120.200 120.200 119.292 0.908 25135 11465 1 14 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.487 0.093 25135 11466 1 14 . 1 1 8 8 ILE C C 8 178.000 178.000 178.022 -0.022 25135 11467 1 14 . 1 1 8 8 ILE CA C 8 65.800 65.800 65.788 0.012 25135 11468 1 14 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.578 1.022 25135 11469 1 14 . 1 1 8 8 ILE H H 8 8.450 8.450 8.904 -0.454 25135 11470 1 14 . 1 1 9 9 THR N N 9 115.400 115.400 114.474 0.926 25135 11471 1 14 . 1 1 9 9 THR HA H 9 3.880 3.880 3.983 -0.103 25135 11472 1 14 . 1 1 9 9 THR C C 9 176.300 176.300 176.427 -0.127 25135 11473 1 14 . 1 1 9 9 THR CA C 9 66.900 66.900 66.229 0.671 25135 11474 1 14 . 1 1 9 9 THR CB C 9 68.800 68.800 68.879 -0.078 25135 11475 1 14 . 1 1 9 9 THR H H 9 8.120 8.120 7.515 0.605 25135 11476 1 14 . 1 1 10 10 LEU N N 10 122.100 122.100 121.341 0.759 25135 11477 1 14 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.112 -0.062 25135 11478 1 14 . 1 1 10 10 LEU C C 10 178.800 178.800 178.299 0.501 25135 11479 1 14 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.830 1.070 25135 11480 1 14 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.149 1.151 25135 11481 1 14 . 1 1 10 10 LEU H H 10 7.950 7.950 7.743 0.207 25135 11482 1 14 . 1 1 11 11 GLY N N 11 105.800 105.800 105.070 0.730 25135 11483 1 14 . 1 1 11 11 GLY C C 11 174.700 174.700 176.239 -1.539 25135 11484 1 14 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.106 0.394 25135 11485 1 14 . 1 1 11 11 GLY H H 11 8.660 8.660 8.473 0.187 25135 11486 1 14 . 1 1 12 12 GLN N N 12 119.600 119.600 119.723 -0.123 25135 11487 1 14 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.350 -0.360 25135 11488 1 14 . 1 1 12 12 GLN C C 12 179.600 179.600 178.652 0.948 25135 11489 1 14 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.571 1.729 25135 11490 1 14 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.362 -0.462 25135 11491 1 14 . 1 1 12 12 GLN H H 12 8.050 8.050 7.514 0.536 25135 11492 1 14 . 1 1 13 13 VAL N N 13 122.600 122.600 121.797 0.803 25135 11493 1 14 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.668 0.002 25135 11494 1 14 . 1 1 13 13 VAL C C 13 178.500 178.500 177.922 0.578 25135 11495 1 14 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.397 0.303 25135 11496 1 14 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.203 0.697 25135 11497 1 14 . 1 1 13 13 VAL H H 13 8.300 8.300 7.876 0.424 25135 11498 1 14 . 1 1 14 14 ILE N N 14 121.000 121.000 118.978 2.022 25135 11499 1 14 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.711 -0.241 25135 11500 1 14 . 1 1 14 14 ILE C C 14 177.700 177.700 178.303 -0.603 25135 11501 1 14 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.174 0.626 25135 11502 1 14 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.684 0.716 25135 11503 1 14 . 1 1 14 14 ILE H H 14 8.480 8.480 8.566 -0.086 25135 11504 1 14 . 1 1 15 15 HIS N N 15 118.900 118.900 118.277 0.623 25135 11505 1 14 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.435 -0.535 25135 11506 1 14 . 1 1 15 15 HIS C C 15 176.200 176.200 177.069 -0.869 25135 11507 1 14 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.014 2.286 25135 11508 1 14 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.223 -0.223 25135 11509 1 14 . 1 1 15 15 HIS H H 15 8.250 8.250 7.572 0.678 25135 11510 1 14 . 1 1 16 16 LYS N N 16 118.500 118.500 119.805 -1.305 25135 11511 1 14 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.708 -0.038 25135 11512 1 14 . 1 1 16 16 LYS C C 16 179.200 179.200 178.852 0.348 25135 11513 1 14 . 1 1 16 16 LYS CA C 16 59.500 59.500 59.117 0.383 25135 11514 1 14 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.156 0.344 25135 11515 1 14 . 1 1 16 16 LYS H H 16 7.820 7.820 8.167 -0.347 25135 11516 1 14 . 1 1 17 17 ARG N N 17 117.600 117.600 118.847 -1.247 25135 11517 1 14 . 1 1 17 17 ARG HA H 17 3.960 3.960 4.067 -0.107 25135 11518 1 14 . 1 1 17 17 ARG C C 17 180.600 180.600 177.335 3.265 25135 11519 1 14 . 1 1 17 17 ARG CA C 17 59.200 59.200 58.981 0.219 25135 11520 1 14 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.495 0.005 25135 11521 1 14 . 1 1 17 17 ARG H H 17 8.330 8.330 8.869 -0.539 25135 11522 1 14 . 1 1 18 18 CYS N N 18 118.100 118.100 114.213 3.887 25135 11523 1 14 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.374 -0.484 25135 11524 1 14 . 1 1 18 18 CYS C C 18 177.300 177.300 177.316 -0.016 25135 11525 1 14 . 1 1 18 18 CYS CA C 18 65.900 65.900 59.613 6.287 25135 11526 1 14 . 1 1 18 18 CYS CB C 18 27.600 27.600 27.601 -0.001 25135 11527 1 14 . 1 1 18 18 CYS H H 18 8.550 8.550 7.545 1.005 25135 11528 1 14 . 1 1 19 19 GLU N N 19 117.900 117.900 120.967 -3.067 25135 11529 1 14 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.092 -0.282 25135 11530 1 14 . 1 1 19 19 GLU C C 19 177.100 177.100 177.275 -0.175 25135 11531 1 14 . 1 1 19 19 GLU CA C 19 58.300 58.300 59.135 -0.835 25135 11532 1 14 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.594 0.406 25135 11533 1 14 . 1 1 19 19 GLU H H 19 7.540 7.540 7.688 -0.148 25135 11534 1 14 . 1 1 20 20 GLU N N 20 115.400 115.400 113.606 1.794 25135 11535 1 14 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.395 -0.175 25135 11536 1 14 . 1 1 20 20 GLU C C 20 177.100 177.100 176.883 0.217 25135 11537 1 14 . 1 1 20 20 GLU CA C 20 55.900 55.900 55.629 0.271 25135 11538 1 14 . 1 1 20 20 GLU CB C 20 30.600 30.600 29.738 0.862 25135 11539 1 14 . 1 1 20 20 GLU H H 20 7.190 7.190 7.460 -0.270 25135 11540 1 14 . 1 1 21 21 MET N N 21 120.500 120.500 120.337 0.163 25135 11541 1 14 . 1 1 21 21 MET HA H 21 4.260 4.260 4.377 -0.117 25135 11542 1 14 . 1 1 21 21 MET C C 21 177.800 177.800 176.937 0.863 25135 11543 1 14 . 1 1 21 21 MET CA C 21 56.400 56.400 55.490 0.909 25135 11544 1 14 . 1 1 21 21 MET CB C 21 33.300 33.300 32.574 0.726 25135 11545 1 14 . 1 1 21 21 MET H H 21 6.940 6.940 7.318 -0.378 25135 11546 1 14 . 1 1 22 22 LYS N N 22 120.500 120.500 125.402 -4.902 25135 11547 1 14 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.235 -0.285 25135 11548 1 14 . 1 1 22 22 LYS C C 22 175.400 175.400 176.155 -0.755 25135 11549 1 14 . 1 1 22 22 LYS CA C 22 57.000 57.000 57.363 -0.363 25135 11550 1 14 . 1 1 22 22 LYS CB C 22 33.600 33.600 33.053 0.547 25135 11551 1 14 . 1 1 22 22 LYS H H 22 8.760 8.760 8.762 -0.002 25135 11552 1 14 . 1 1 23 23 TYR N N 23 115.500 115.500 116.905 -1.405 25135 11553 1 14 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.610 0.300 25135 11554 1 14 . 1 1 23 23 TYR C C 23 173.700 173.700 174.941 -1.241 25135 11555 1 14 . 1 1 23 23 TYR CA C 23 55.000 55.000 56.838 -1.838 25135 11556 1 14 . 1 1 23 23 TYR CB C 23 41.900 41.900 41.232 0.668 25135 11557 1 14 . 1 1 23 23 TYR H H 23 7.260 7.260 7.701 -0.441 25135 11558 1 14 . 1 1 24 24 CYS N N 24 113.600 113.600 117.156 -3.556 25135 11559 1 14 . 1 1 24 24 CYS HA H 24 3.700 3.700 4.140 -0.440 25135 11560 1 14 . 1 1 24 24 CYS C C 24 174.700 174.700 175.926 -1.226 25135 11561 1 14 . 1 1 24 24 CYS CA C 24 60.400 60.400 59.501 0.899 25135 11562 1 14 . 1 1 24 24 CYS CB C 24 26.100 26.100 26.512 -0.412 25135 11563 1 14 . 1 1 24 24 CYS H H 24 8.720 8.720 8.991 -0.271 25135 11564 1 14 . 1 1 25 25 LYS N N 25 115.800 115.800 118.802 -3.002 25135 11565 1 14 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.957 -0.377 25135 11566 1 14 . 1 1 25 25 LYS C C 25 179.800 179.800 178.012 1.788 25135 11567 1 14 . 1 1 25 25 LYS CA C 25 60.700 60.700 58.816 1.884 25135 11568 1 14 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.223 1.077 25135 11569 1 14 . 1 1 25 25 LYS H H 25 8.050 8.050 8.614 -0.564 25135 11570 1 14 . 1 1 26 26 LYS N N 26 121.000 121.000 120.441 0.559 25135 11571 1 14 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.921 0.069 25135 11572 1 14 . 1 1 26 26 LYS C C 26 181.300 181.300 179.268 2.032 25135 11573 1 14 . 1 1 26 26 LYS CA C 26 59.000 59.000 59.804 -0.804 25135 11574 1 14 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.506 -1.106 25135 11575 1 14 . 1 1 26 26 LYS H H 26 10.600 10.600 8.317 2.283 25135 11576 1 14 . 1 1 27 27 GLN N N 27 120.500 120.500 118.654 1.846 25135 11577 1 14 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.263 -0.293 25135 11578 1 14 . 1 1 27 27 GLN C C 27 180.200 180.200 178.514 1.686 25135 11579 1 14 . 1 1 27 27 GLN CA C 27 59.300 59.300 59.377 -0.077 25135 11580 1 14 . 1 1 27 27 GLN CB C 27 32.100 32.100 28.778 3.322 25135 11581 1 14 . 1 1 27 27 GLN H H 27 9.890 9.890 8.051 1.839 25135 11582 1 14 . 1 1 28 28 CYS N N 28 118.800 118.800 118.775 0.025 25135 11583 1 14 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.791 0.419 25135 11584 1 14 . 1 1 28 28 CYS C C 28 176.200 176.200 176.125 0.075 25135 11585 1 14 . 1 1 28 28 CYS CA C 28 64.300 64.300 64.912 -0.612 25135 11586 1 14 . 1 1 28 28 CYS CB C 28 26.800 26.800 27.750 -0.950 25135 11587 1 14 . 1 1 28 28 CYS H H 28 8.550 8.550 8.305 0.245 25135 11588 1 14 . 1 1 29 29 ARG N N 29 119.300 119.300 119.774 -0.474 25135 11589 1 14 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.963 -0.093 25135 11590 1 14 . 1 1 29 29 ARG C C 29 178.900 178.900 178.394 0.506 25135 11591 1 14 . 1 1 29 29 ARG CA C 29 59.300 59.300 58.636 0.664 25135 11592 1 14 . 1 1 29 29 ARG CB C 29 29.200 29.200 28.751 0.449 25135 11593 1 14 . 1 1 29 29 ARG H H 29 8.700 8.700 8.534 0.166 25135 11594 1 14 . 1 1 30 30 ARG N N 30 119.700 119.700 119.526 0.174 25135 11595 1 14 . 1 1 30 30 ARG HA H 30 3.890 3.890 4.022 -0.132 25135 11596 1 14 . 1 1 30 30 ARG C C 30 178.000 178.000 178.298 -0.298 25135 11597 1 14 . 1 1 30 30 ARG CA C 30 58.200 58.200 59.511 -1.311 25135 11598 1 14 . 1 1 30 30 ARG CB C 30 29.100 29.100 29.988 -0.888 25135 11599 1 14 . 1 1 30 30 ARG H H 30 7.810 7.810 7.395 0.415 25135 11600 1 14 . 1 1 31 31 LEU N N 31 120.600 120.600 120.967 -0.367 25135 11601 1 14 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.481 0.559 25135 11602 1 14 . 1 1 31 31 LEU C C 31 178.400 178.400 178.008 0.392 25135 11603 1 14 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.877 0.423 25135 11604 1 14 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.242 -0.042 25135 11605 1 14 . 1 1 31 31 LEU H H 31 7.310 7.310 7.519 -0.209 25135 11606 1 14 . 1 1 32 32 GLY N N 32 105.200 105.200 104.845 0.355 25135 11607 1 14 . 1 1 32 32 GLY C C 32 175.600 175.600 175.883 -0.283 25135 11608 1 14 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.140 1.260 25135 11609 1 14 . 1 1 32 32 GLY H H 32 7.960 7.960 7.872 0.088 25135 11610 1 14 . 1 1 33 33 HIS N N 33 120.500 120.500 122.330 -1.830 25135 11611 1 14 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.168 0.062 25135 11612 1 14 . 1 1 33 33 HIS C C 33 179.400 179.400 178.100 1.300 25135 11613 1 14 . 1 1 33 33 HIS CA C 33 59.600 59.600 59.957 -0.357 25135 11614 1 14 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.085 0.514 25135 11615 1 14 . 1 1 33 33 HIS H H 33 8.340 8.340 8.167 0.173 25135 11616 1 14 . 1 1 34 34 ARG N N 34 121.900 121.900 118.668 3.232 25135 11617 1 14 . 1 1 34 34 ARG HA H 34 3.870 3.870 4.030 -0.160 25135 11618 1 14 . 1 1 34 34 ARG C C 34 179.600 179.600 178.499 1.101 25135 11619 1 14 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.210 0.290 25135 11620 1 14 . 1 1 34 34 ARG CB C 34 30.100 30.100 29.886 0.214 25135 11621 1 14 . 1 1 34 34 ARG H H 34 8.680 8.680 8.596 0.084 25135 11622 1 14 . 1 1 35 35 VAL N N 35 118.500 118.500 120.586 -2.086 25135 11623 1 14 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.521 -0.111 25135 11624 1 14 . 1 1 35 35 VAL C C 35 177.600 177.600 178.390 -0.790 25135 11625 1 14 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.151 1.649 25135 11626 1 14 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.144 0.156 25135 11627 1 14 . 1 1 35 35 VAL H H 35 8.500 8.500 7.883 0.617 25135 11628 1 14 . 1 1 36 36 LEU N N 36 118.300 118.300 120.099 -1.799 25135 11629 1 14 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.762 0.138 25135 11630 1 14 . 1 1 36 36 LEU C C 36 179.600 179.600 178.851 0.749 25135 11631 1 14 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.870 0.130 25135 11632 1 14 . 1 1 36 36 LEU CB C 36 41.400 41.400 40.853 0.547 25135 11633 1 14 . 1 1 36 36 LEU H H 36 7.890 7.890 8.809 -0.919 25135 11634 1 14 . 1 1 37 37 GLY N N 37 104.900 104.900 104.898 0.002 25135 11635 1 14 . 1 1 37 37 GLY C C 37 175.700 175.700 175.359 0.341 25135 11636 1 14 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.593 0.107 25135 11637 1 14 . 1 1 37 37 GLY H H 37 7.760 7.760 7.539 0.221 25135 11638 1 14 . 1 1 38 38 LEU N N 38 120.500 120.500 120.158 0.342 25135 11639 1 14 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.748 -0.158 25135 11640 1 14 . 1 1 38 38 LEU C C 38 176.900 176.900 178.029 -1.129 25135 11641 1 14 . 1 1 38 38 LEU CA C 38 56.500 56.500 55.929 0.571 25135 11642 1 14 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.435 -0.835 25135 11643 1 14 . 1 1 38 38 LEU H H 38 7.720 7.720 7.572 0.148 25135 11644 1 14 . 1 1 39 39 ILE N N 39 108.700 108.700 116.607 -7.907 25135 11645 1 14 . 1 1 39 39 ILE HA H 39 4.190 4.190 4.008 0.182 25135 11646 1 14 . 1 1 39 39 ILE C C 39 178.100 178.100 177.166 0.934 25135 11647 1 14 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.711 -1.011 25135 11648 1 14 . 1 1 39 39 ILE CB C 39 38.500 38.500 37.974 0.526 25135 11649 1 14 . 1 1 39 39 ILE H H 39 7.540 7.540 7.350 0.190 25135 11650 1 14 . 1 1 40 40 LYS N N 40 122.800 122.800 122.477 0.323 25135 11651 1 14 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.435 -0.005 25135 11652 1 14 . 1 1 40 40 LYS CA C 40 60.700 60.700 59.600 1.100 25135 11653 1 14 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.332 0.068 25135 11654 1 14 . 1 1 40 40 LYS H H 40 7.600 7.600 8.387 -0.787 25135 11655 1 14 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.304 0.126 25135 11656 1 14 . 1 1 41 41 PRO C C 41 178.700 178.700 179.386 -0.686 25135 11657 1 14 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.800 -0.300 25135 11658 1 14 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.403 0.197 25135 11659 1 14 . 1 1 42 42 LEU N N 42 114.400 114.400 117.066 -2.666 25135 11660 1 14 . 1 1 42 42 LEU HA H 42 4.060 4.060 4.024 0.036 25135 11661 1 14 . 1 1 42 42 LEU C C 42 178.800 178.800 178.734 0.066 25135 11662 1 14 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.770 -0.670 25135 11663 1 14 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.090 -0.790 25135 11664 1 14 . 1 1 42 42 LEU H H 42 7.200 7.200 7.972 -0.772 25135 11665 1 14 . 1 1 43 43 GLU N N 43 119.200 119.200 118.787 0.413 25135 11666 1 14 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.951 -0.031 25135 11667 1 14 . 1 1 43 43 GLU C C 43 179.100 179.100 178.769 0.331 25135 11668 1 14 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.364 0.136 25135 11669 1 14 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.238 0.862 25135 11670 1 14 . 1 1 43 43 GLU H H 43 8.120 8.120 7.949 0.171 25135 11671 1 14 . 1 1 44 44 MET N N 44 116.500 116.500 116.137 0.363 25135 11672 1 14 . 1 1 44 44 MET HA H 44 4.310 4.310 4.225 0.085 25135 11673 1 14 . 1 1 44 44 MET C C 44 177.900 177.900 177.682 0.218 25135 11674 1 14 . 1 1 44 44 MET CA C 44 57.600 57.600 58.077 -0.477 25135 11675 1 14 . 1 1 44 44 MET CB C 44 32.500 32.500 32.790 -0.290 25135 11676 1 14 . 1 1 44 44 MET H H 44 7.600 7.600 7.711 -0.111 25135 11677 1 14 . 1 1 45 45 LEU N N 45 119.900 119.900 118.693 1.207 25135 11678 1 14 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.318 -0.168 25135 11679 1 14 . 1 1 45 45 LEU C C 45 178.000 178.000 179.782 -1.782 25135 11680 1 14 . 1 1 45 45 LEU CA C 45 56.600 56.600 58.228 -1.628 25135 11681 1 14 . 1 1 45 45 LEU CB C 45 42.000 42.000 42.494 -0.494 25135 11682 1 14 . 1 1 45 45 LEU H H 45 7.620 7.620 7.851 -0.231 25135 11683 1 14 . 1 1 46 46 GLN N N 46 118.300 118.300 118.802 -0.502 25135 11684 1 14 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.095 -0.075 25135 11685 1 14 . 1 1 46 46 GLN C C 46 176.500 176.500 177.553 -1.053 25135 11686 1 14 . 1 1 46 46 GLN CA C 46 57.700 57.700 58.618 -0.918 25135 11687 1 14 . 1 1 46 46 GLN CB C 46 29.500 29.500 28.243 1.257 25135 11688 1 14 . 1 1 46 46 GLN H H 46 7.950 7.950 8.619 -0.669 25135 11689 1 14 . 1 1 47 47 ASP N N 47 119.000 119.000 118.958 0.042 25135 11690 1 14 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.523 0.047 25135 11691 1 14 . 1 1 47 47 ASP C C 47 176.900 176.900 177.753 -0.853 25135 11692 1 14 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.142 -0.842 25135 11693 1 14 . 1 1 47 47 ASP CB C 47 41.300 41.300 40.997 0.303 25135 11694 1 14 . 1 1 47 47 ASP H H 47 7.890 7.890 7.799 0.091 25135 11695 1 14 . 1 1 48 48 GLN N N 48 119.500 119.500 117.163 2.337 25135 11696 1 14 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.398 -0.168 25135 11697 1 14 . 1 1 48 48 GLN C C 48 177.200 177.200 177.095 0.105 25135 11698 1 14 . 1 1 48 48 GLN CA C 48 56.700 56.700 56.097 0.603 25135 11699 1 14 . 1 1 48 48 GLN CB C 48 29.300 29.300 29.427 -0.127 25135 11700 1 14 . 1 1 48 48 GLN H H 48 8.080 8.080 7.668 0.412 25135 11701 1 14 . 1 1 49 49 GLY N N 49 108.100 108.100 109.273 -1.173 25135 11702 1 14 . 1 1 49 49 GLY C C 49 174.300 174.300 173.986 0.314 25135 11703 1 14 . 1 1 49 49 GLY CA C 49 46.000 46.000 44.836 1.164 25135 11704 1 14 . 1 1 49 49 GLY H H 49 8.270 8.270 7.868 0.402 25135 11705 1 14 . 1 1 50 50 LYS N N 50 120.200 120.200 122.460 -2.260 25135 11706 1 14 . 1 1 50 50 LYS HA H 50 4.320 4.320 4.308 0.012 25135 11707 1 14 . 1 1 50 50 LYS C C 50 176.400 176.400 176.917 -0.517 25135 11708 1 14 . 1 1 50 50 LYS CA C 50 56.500 56.500 56.408 0.092 25135 11709 1 14 . 1 1 50 50 LYS CB C 50 32.900 32.900 32.293 0.607 25135 11710 1 14 . 1 1 50 50 LYS H H 50 8.130 8.130 8.439 -0.309 25135 11711 1 14 . 1 1 51 51 ARG N N 51 121.300 121.300 122.767 -1.467 25135 11712 1 14 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.028 0.432 25135 11713 1 14 . 1 1 51 51 ARG C C 51 176.100 176.100 174.313 1.787 25135 11714 1 14 . 1 1 51 51 ARG CA C 51 56.000 56.000 57.204 -1.204 25135 11715 1 14 . 1 1 51 51 ARG CB C 51 31.200 31.200 30.477 0.723 25135 11716 1 14 . 1 1 51 51 ARG H H 51 8.260 8.260 8.610 -0.350 25135 11717 1 14 . 1 1 52 52 SER N N 52 116.900 116.900 114.580 2.320 25135 11718 1 14 . 1 1 52 52 SER HA H 52 4.550 4.550 4.494 0.056 25135 11719 1 14 . 1 1 52 52 SER C C 52 173.900 173.900 173.474 0.426 25135 11720 1 14 . 1 1 52 52 SER CA C 52 57.800 57.800 57.991 -0.191 25135 11721 1 14 . 1 1 52 52 SER CB C 52 64.300 64.300 63.401 0.899 25135 11722 1 14 . 1 1 52 52 SER H H 52 8.150 8.150 8.447 -0.297 25135 11723 1 14 . 1 1 53 53 VAL N N 53 124.300 124.300 127.059 -2.759 25135 11724 1 14 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.105 0.185 25135 11725 1 14 . 1 1 53 53 VAL CA C 53 60.400 60.400 61.070 -0.670 25135 11726 1 14 . 1 1 53 53 VAL CB C 53 32.500 32.500 32.545 -0.045 25135 11727 1 14 . 1 1 53 53 VAL H H 53 8.420 8.420 8.426 -0.006 25135 11728 1 14 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.554 -0.064 25135 11729 1 14 . 1 1 54 54 PRO C C 54 176.600 176.600 176.192 0.408 25135 11730 1 14 . 1 1 54 54 PRO CA C 54 62.500 62.500 62.269 0.231 25135 11731 1 14 . 1 1 54 54 PRO CB C 54 32.600 32.600 30.214 2.386 25135 11732 1 14 . 1 1 55 55 SER N N 55 119.500 119.500 117.858 1.642 25135 11733 1 14 . 1 1 55 55 SER HA H 55 4.370 4.370 4.315 0.055 25135 11734 1 14 . 1 1 55 55 SER C C 55 175.500 175.500 176.234 -0.734 25135 11735 1 14 . 1 1 55 55 SER CA C 55 58.200 58.200 57.638 0.562 25135 11736 1 14 . 1 1 55 55 SER CB C 55 64.200 64.200 64.816 -0.616 25135 11737 1 14 . 1 1 55 55 SER H H 55 8.970 8.970 7.934 1.036 25135 11738 1 14 . 1 1 56 56 GLU N N 56 123.000 123.000 123.002 -0.002 25135 11739 1 14 . 1 1 56 56 GLU HA H 56 4.140 4.140 4.055 0.085 25135 11740 1 14 . 1 1 56 56 GLU C C 56 179.300 179.300 178.466 0.834 25135 11741 1 14 . 1 1 56 56 GLU CA C 56 59.700 59.700 59.712 -0.012 25135 11742 1 14 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.700 -0.500 25135 11743 1 14 . 1 1 56 56 GLU H H 56 9.030 9.030 8.994 0.036 25135 11744 1 14 . 1 1 57 57 LYS N N 57 118.900 118.900 118.113 0.787 25135 11745 1 14 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.140 -0.140 25135 11746 1 14 . 1 1 57 57 LYS C C 57 179.400 179.400 178.491 0.909 25135 11747 1 14 . 1 1 57 57 LYS CA C 57 59.600 59.600 59.062 0.538 25135 11748 1 14 . 1 1 57 57 LYS CB C 57 32.700 32.700 31.447 1.253 25135 11749 1 14 . 1 1 57 57 LYS H H 57 8.150 8.150 8.541 -0.391 25135 11750 1 14 . 1 1 58 58 LEU N N 58 122.800 122.800 121.424 1.376 25135 11751 1 14 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.132 -0.032 25135 11752 1 14 . 1 1 58 58 LEU C C 58 178.200 178.200 178.609 -0.409 25135 11753 1 14 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.224 0.076 25135 11754 1 14 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.335 -0.835 25135 11755 1 14 . 1 1 58 58 LEU H H 58 8.420 8.420 7.836 0.584 25135 11756 1 14 . 1 1 59 59 THR N N 59 117.800 117.800 112.984 4.816 25135 11757 1 14 . 1 1 59 59 THR HA H 59 3.730 3.730 4.060 -0.330 25135 11758 1 14 . 1 1 59 59 THR C C 59 176.800 176.800 176.644 0.156 25135 11759 1 14 . 1 1 59 59 THR CA C 59 67.500 67.500 66.434 1.066 25135 11760 1 14 . 1 1 59 59 THR CB C 59 68.400 68.400 68.434 -0.034 25135 11761 1 14 . 1 1 59 59 THR H H 59 8.600 8.600 8.280 0.320 25135 11762 1 14 . 1 1 60 60 THR N N 60 118.300 118.300 117.588 0.712 25135 11763 1 14 . 1 1 60 60 THR HA H 60 3.980 3.980 4.059 -0.079 25135 11764 1 14 . 1 1 60 60 THR C C 60 176.400 176.400 176.001 0.399 25135 11765 1 14 . 1 1 60 60 THR CA C 60 66.900 66.900 66.507 0.393 25135 11766 1 14 . 1 1 60 60 THR CB C 60 68.400 68.400 68.626 -0.226 25135 11767 1 14 . 1 1 60 60 THR H H 60 8.390 8.390 7.507 0.883 25135 11768 1 14 . 1 1 61 61 ALA N N 61 124.900 124.900 125.182 -0.282 25135 11769 1 14 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.115 0.005 25135 11770 1 14 . 1 1 61 61 ALA C C 61 180.000 180.000 179.706 0.294 25135 11771 1 14 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.282 0.518 25135 11772 1 14 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.372 0.428 25135 11773 1 14 . 1 1 61 61 ALA H H 61 8.090 8.090 7.879 0.211 25135 11774 1 14 . 1 1 62 62 MET N N 62 118.300 118.300 117.484 0.816 25135 11775 1 14 . 1 1 62 62 MET HA H 62 4.110 4.110 4.222 -0.112 25135 11776 1 14 . 1 1 62 62 MET C C 62 178.300 178.300 178.703 -0.403 25135 11777 1 14 . 1 1 62 62 MET CA C 62 59.600 59.600 59.744 -0.144 25135 11778 1 14 . 1 1 62 62 MET CB C 62 32.500 32.500 32.173 0.327 25135 11779 1 14 . 1 1 62 62 MET H H 62 8.820 8.820 8.725 0.095 25135 11780 1 14 . 1 1 63 63 ASN N N 63 119.500 119.500 118.594 0.906 25135 11781 1 14 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.542 0.038 25135 11782 1 14 . 1 1 63 63 ASN C C 63 179.000 179.000 177.909 1.091 25135 11783 1 14 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.571 -0.271 25135 11784 1 14 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.325 -0.625 25135 11785 1 14 . 1 1 63 63 ASN H H 63 8.320 8.320 8.628 -0.308 25135 11786 1 14 . 1 1 64 64 ARG N N 64 122.500 122.500 120.407 2.093 25135 11787 1 14 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.182 0.008 25135 11788 1 14 . 1 1 64 64 ARG C C 64 179.300 179.300 178.912 0.388 25135 11789 1 14 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.077 0.623 25135 11790 1 14 . 1 1 64 64 ARG CB C 64 30.700 30.700 29.889 0.812 25135 11791 1 14 . 1 1 64 64 ARG H H 64 8.560 8.560 8.150 0.410 25135 11792 1 14 . 1 1 65 65 PHE N N 65 123.100 123.100 122.332 0.768 25135 11793 1 14 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.290 0.180 25135 11794 1 14 . 1 1 65 65 PHE C C 65 176.400 176.400 176.984 -0.584 25135 11795 1 14 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.673 0.927 25135 11796 1 14 . 1 1 65 65 PHE CB C 65 39.400 39.400 38.961 0.439 25135 11797 1 14 . 1 1 65 65 PHE H H 65 8.560 8.560 8.898 -0.338 25135 11798 1 14 . 1 1 66 66 LYS N N 66 119.800 119.800 119.417 0.383 25135 11799 1 14 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.768 -0.148 25135 11800 1 14 . 1 1 66 66 LYS C C 66 177.600 177.600 178.709 -1.109 25135 11801 1 14 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.543 1.157 25135 11802 1 14 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.316 0.184 25135 11803 1 14 . 1 1 66 66 LYS H H 66 8.610 8.610 8.824 -0.214 25135 11804 1 14 . 1 1 67 67 ALA N N 67 119.000 119.000 121.631 -2.631 25135 11805 1 14 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.220 0.010 25135 11806 1 14 . 1 1 67 67 ALA C C 67 180.400 180.400 179.571 0.829 25135 11807 1 14 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.696 0.304 25135 11808 1 14 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.369 -0.369 25135 11809 1 14 . 1 1 67 67 ALA H H 67 8.000 8.000 8.159 -0.159 25135 11810 1 14 . 1 1 68 68 ALA N N 68 122.200 122.200 121.515 0.685 25135 11811 1 14 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.040 0.150 25135 11812 1 14 . 1 1 68 68 ALA C C 68 179.800 179.800 179.651 0.149 25135 11813 1 14 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.799 0.401 25135 11814 1 14 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.543 -0.743 25135 11815 1 14 . 1 1 68 68 ALA H H 68 7.950 7.950 8.624 -0.674 25135 11816 1 14 . 1 1 69 69 LEU N N 69 118.900 118.900 119.491 -0.591 25135 11817 1 14 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.824 0.026 25135 11818 1 14 . 1 1 69 69 LEU C C 69 179.200 179.200 178.863 0.337 25135 11819 1 14 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.247 -0.747 25135 11820 1 14 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.570 -0.170 25135 11821 1 14 . 1 1 69 69 LEU H H 69 8.020 8.020 8.124 -0.104 25135 11822 1 14 . 1 1 70 70 GLU N N 70 120.500 120.500 118.641 1.859 25135 11823 1 14 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.783 0.157 25135 11824 1 14 . 1 1 70 70 GLU C C 70 180.500 180.500 179.252 1.248 25135 11825 1 14 . 1 1 70 70 GLU CA C 70 59.900 59.900 59.737 0.163 25135 11826 1 14 . 1 1 70 70 GLU CB C 70 29.200 29.200 29.146 0.054 25135 11827 1 14 . 1 1 70 70 GLU H H 70 8.590 8.590 7.703 0.887 25135 11828 1 14 . 1 1 71 71 GLU N N 71 122.200 122.200 119.267 2.933 25135 11829 1 14 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.077 -0.007 25135 11830 1 14 . 1 1 71 71 GLU C C 71 179.600 179.600 178.530 1.070 25135 11831 1 14 . 1 1 71 71 GLU CA C 71 59.400 59.400 59.503 -0.103 25135 11832 1 14 . 1 1 71 71 GLU CB C 71 29.400 29.400 29.013 0.387 25135 11833 1 14 . 1 1 71 71 GLU H H 71 8.300 8.300 7.683 0.617 25135 11834 1 14 . 1 1 72 72 ALA N N 72 122.800 122.800 121.971 0.829 25135 11835 1 14 . 1 1 72 72 ALA HA H 72 3.890 3.890 4.046 -0.156 25135 11836 1 14 . 1 1 72 72 ALA C C 72 178.500 178.500 179.963 -1.463 25135 11837 1 14 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.290 0.410 25135 11838 1 14 . 1 1 72 72 ALA CB C 72 17.200 17.200 17.925 -0.725 25135 11839 1 14 . 1 1 72 72 ALA H H 72 8.330 8.330 7.604 0.726 25135 11840 1 14 . 1 1 73 73 ASN N N 73 115.700 115.700 116.873 -1.173 25135 11841 1 14 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.381 0.069 25135 11842 1 14 . 1 1 73 73 ASN C C 73 177.600 177.600 177.910 -0.310 25135 11843 1 14 . 1 1 73 73 ASN CA C 73 56.300 56.300 55.635 0.665 25135 11844 1 14 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.268 0.632 25135 11845 1 14 . 1 1 73 73 ASN H H 73 8.460 8.460 8.659 -0.199 25135 11846 1 14 . 1 1 74 74 GLY N N 74 105.500 105.500 107.877 -2.377 25135 11847 1 14 . 1 1 74 74 GLY C C 74 177.100 177.100 175.773 1.327 25135 11848 1 14 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.758 0.242 25135 11849 1 14 . 1 1 74 74 GLY H H 74 8.070 8.070 8.305 -0.235 25135 11850 1 14 . 1 1 75 75 GLU N N 75 123.500 123.500 122.766 0.734 25135 11851 1 14 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.839 0.271 25135 11852 1 14 . 1 1 75 75 GLU C C 75 178.500 178.500 179.122 -0.622 25135 11853 1 14 . 1 1 75 75 GLU CA C 75 58.700 58.700 58.956 -0.256 25135 11854 1 14 . 1 1 75 75 GLU CB C 75 29.900 29.900 28.958 0.942 25135 11855 1 14 . 1 1 75 75 GLU H H 75 8.110 8.110 8.555 -0.445 25135 11856 1 14 . 1 1 76 76 ILE N N 76 120.300 120.300 119.671 0.629 25135 11857 1 14 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.947 -0.127 25135 11858 1 14 . 1 1 76 76 ILE C C 76 178.300 178.300 178.235 0.065 25135 11859 1 14 . 1 1 76 76 ILE CA C 76 65.500 65.500 65.180 0.320 25135 11860 1 14 . 1 1 76 76 ILE CB C 76 37.900 37.900 37.995 -0.095 25135 11861 1 14 . 1 1 76 76 ILE H H 76 8.330 8.330 8.440 -0.110 25135 11862 1 14 . 1 1 77 77 GLU N N 77 119.400 119.400 120.716 -1.316 25135 11863 1 14 . 1 1 77 77 GLU HA H 77 3.920 3.920 3.949 -0.029 25135 11864 1 14 . 1 1 77 77 GLU C C 77 180.200 180.200 178.422 1.778 25135 11865 1 14 . 1 1 77 77 GLU CA C 77 59.700 59.700 59.474 0.226 25135 11866 1 14 . 1 1 77 77 GLU CB C 77 29.300 29.300 29.661 -0.361 25135 11867 1 14 . 1 1 77 77 GLU H H 77 7.860 7.860 7.751 0.109 25135 11868 1 14 . 1 1 78 78 LYS N N 78 121.600 121.600 118.424 3.176 25135 11869 1 14 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.075 -0.175 25135 11870 1 14 . 1 1 78 78 LYS C C 78 179.200 179.200 178.361 0.839 25135 11871 1 14 . 1 1 78 78 LYS CA C 78 59.900 59.900 57.785 2.115 25135 11872 1 14 . 1 1 78 78 LYS CB C 78 32.300 32.300 31.875 0.425 25135 11873 1 14 . 1 1 78 78 LYS H H 78 7.760 7.760 8.414 -0.654 25135 11874 1 14 . 1 1 79 79 PHE N N 79 115.900 115.900 116.237 -0.337 25135 11875 1 14 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.567 0.113 25135 11876 1 14 . 1 1 79 79 PHE C C 79 174.100 174.100 176.274 -2.174 25135 11877 1 14 . 1 1 79 79 PHE CA C 79 58.200 58.200 57.871 0.329 25135 11878 1 14 . 1 1 79 79 PHE CB C 79 36.900 36.900 39.794 -2.894 25135 11879 1 14 . 1 1 79 79 PHE H H 79 8.170 8.170 7.520 0.650 25135 11880 1 14 . 1 1 80 80 SER N N 80 113.300 113.300 115.075 -1.775 25135 11881 1 14 . 1 1 80 80 SER HA H 80 4.500 4.500 4.196 0.304 25135 11882 1 14 . 1 1 80 80 SER C C 80 173.700 173.700 174.889 -1.189 25135 11883 1 14 . 1 1 80 80 SER CA C 80 60.500 60.500 60.727 -0.227 25135 11884 1 14 . 1 1 80 80 SER CB C 80 63.400 63.400 63.246 0.154 25135 11885 1 14 . 1 1 80 80 SER H H 80 7.700 7.700 7.371 0.329 25135 11886 1 14 . 1 1 81 81 ASN N N 81 119.500 119.500 120.818 -1.318 25135 11887 1 14 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.658 0.312 25135 11888 1 14 . 1 1 81 81 ASN CA C 81 52.100 52.100 52.911 -0.811 25135 11889 1 14 . 1 1 81 81 ASN CB C 81 40.300 40.300 39.165 1.135 25135 11890 1 14 . 1 1 81 81 ASN H H 81 7.290 7.290 7.910 -0.620 25135 11891 1 14 . 1 1 82 82 ARG N N 82 127.400 127.400 126.162 1.238 25135 11892 1 14 . 1 1 82 82 ARG HA H 82 3.590 3.590 2.929 0.661 25135 11893 1 14 . 1 1 82 82 ARG C C 82 177.700 177.700 177.573 0.127 25135 11894 1 14 . 1 1 82 82 ARG CA C 82 59.800 59.800 58.552 1.248 25135 11895 1 14 . 1 1 82 82 ARG CB C 82 30.100 30.100 28.800 1.300 25135 11896 1 14 . 1 1 82 82 ARG H H 82 9.050 9.050 8.449 0.601 25135 11897 1 14 . 1 1 83 83 SER N N 83 114.600 114.600 114.750 -0.150 25135 11898 1 14 . 1 1 83 83 SER HA H 83 3.930 3.930 4.214 -0.284 25135 11899 1 14 . 1 1 83 83 SER C C 83 177.100 177.100 176.390 0.710 25135 11900 1 14 . 1 1 83 83 SER CA C 83 62.200 62.200 61.561 0.639 25135 11901 1 14 . 1 1 83 83 SER CB C 83 62.000 62.000 62.812 -0.812 25135 11902 1 14 . 1 1 83 83 SER H H 83 8.390 8.390 8.061 0.329 25135 11903 1 14 . 1 1 84 84 ASN N N 84 119.700 119.700 120.324 -0.624 25135 11904 1 14 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.663 -0.063 25135 11905 1 14 . 1 1 84 84 ASN C C 84 179.100 179.100 177.457 1.643 25135 11906 1 14 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.669 -0.269 25135 11907 1 14 . 1 1 84 84 ASN CB C 84 37.600 37.600 38.548 -0.948 25135 11908 1 14 . 1 1 84 84 ASN H H 84 7.980 7.980 8.222 -0.242 25135 11909 1 14 . 1 1 85 85 ILE N N 85 122.100 122.100 121.769 0.331 25135 11910 1 14 . 1 1 85 85 ILE HA H 85 3.820 3.820 4.178 -0.358 25135 11911 1 14 . 1 1 85 85 ILE C C 85 176.900 176.900 177.703 -0.803 25135 11912 1 14 . 1 1 85 85 ILE CA C 85 64.700 64.700 64.930 -0.230 25135 11913 1 14 . 1 1 85 85 ILE CB C 85 37.400 37.400 37.130 0.270 25135 11914 1 14 . 1 1 85 85 ILE H H 85 7.760 7.760 7.927 -0.167 25135 11915 1 14 . 1 1 86 86 CYS N N 86 119.200 119.200 118.228 0.972 25135 11916 1 14 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.710 0.230 25135 11917 1 14 . 1 1 86 86 CYS C C 86 177.400 177.400 175.999 1.401 25135 11918 1 14 . 1 1 86 86 CYS CA C 86 63.800 63.800 62.496 1.304 25135 11919 1 14 . 1 1 86 86 CYS CB C 86 26.900 26.900 26.434 0.466 25135 11920 1 14 . 1 1 86 86 CYS H H 86 8.330 8.330 7.963 0.367 25135 11921 1 14 . 1 1 87 87 ARG N N 87 119.200 119.200 118.864 0.336 25135 11922 1 14 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.265 -0.245 25135 11923 1 14 . 1 1 87 87 ARG C C 87 178.500 178.500 178.448 0.052 25135 11924 1 14 . 1 1 87 87 ARG CA C 87 59.500 59.500 58.519 0.981 25135 11925 1 14 . 1 1 87 87 ARG CB C 87 30.300 30.300 29.432 0.868 25135 11926 1 14 . 1 1 87 87 ARG H H 87 7.900 7.900 7.657 0.243 25135 11927 1 14 . 1 1 88 88 PHE N N 88 120.300 120.300 121.924 -1.624 25135 11928 1 14 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.497 -0.277 25135 11929 1 14 . 1 1 88 88 PHE C C 88 177.200 177.200 176.602 0.598 25135 11930 1 14 . 1 1 88 88 PHE CA C 88 61.500 61.500 59.948 1.552 25135 11931 1 14 . 1 1 88 88 PHE CB C 88 39.800 39.800 39.355 0.445 25135 11932 1 14 . 1 1 88 88 PHE H H 88 7.760 7.760 8.103 -0.343 25135 11933 1 14 . 1 1 89 89 LEU N N 89 117.900 117.900 119.788 -1.888 25135 11934 1 14 . 1 1 89 89 LEU HA H 89 3.640 3.640 3.037 0.603 25135 11935 1 14 . 1 1 89 89 LEU C C 89 178.700 178.700 178.781 -0.081 25135 11936 1 14 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.675 -0.275 25135 11937 1 14 . 1 1 89 89 LEU CB C 89 41.600 41.600 40.611 0.989 25135 11938 1 14 . 1 1 89 89 LEU H H 89 8.590 8.590 8.125 0.465 25135 11939 1 14 . 1 1 90 90 THR N N 90 112.000 112.000 112.792 -0.792 25135 11940 1 14 . 1 1 90 90 THR HA H 90 3.980 3.980 4.077 -0.097 25135 11941 1 14 . 1 1 90 90 THR C C 90 174.900 174.900 176.480 -1.580 25135 11942 1 14 . 1 1 90 90 THR CA C 90 65.200 65.200 65.291 -0.091 25135 11943 1 14 . 1 1 90 90 THR CB C 90 69.300 69.300 68.820 0.480 25135 11944 1 14 . 1 1 90 90 THR H H 90 7.690 7.690 7.484 0.206 25135 11945 1 14 . 1 1 91 91 ALA N N 91 122.400 122.400 122.309 0.091 25135 11946 1 14 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.234 0.036 25135 11947 1 14 . 1 1 91 91 ALA C C 91 177.500 177.500 177.644 -0.144 25135 11948 1 14 . 1 1 91 91 ALA CA C 91 53.000 53.000 52.643 0.357 25135 11949 1 14 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.269 0.731 25135 11950 1 14 . 1 1 91 91 ALA H H 91 7.220 7.220 7.612 -0.392 25135 11951 1 14 . 1 1 92 92 SER N N 92 112.900 112.900 112.744 0.156 25135 11952 1 14 . 1 1 92 92 SER HA H 92 4.130 4.130 4.185 -0.055 25135 11953 1 14 . 1 1 92 92 SER CA C 92 57.600 57.600 58.380 -0.780 25135 11954 1 14 . 1 1 92 92 SER CB C 92 64.000 64.000 62.002 1.998 25135 11955 1 14 . 1 1 92 92 SER H H 92 7.510 7.510 7.976 -0.466 25135 11956 1 14 . 1 1 93 93 GLN N N 93 125.700 125.700 123.657 2.043 25135 11957 1 14 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.207 -0.007 25135 11958 1 14 . 1 1 93 93 GLN C C 93 176.700 176.700 176.394 0.306 25135 11959 1 14 . 1 1 93 93 GLN CA C 93 57.700 57.700 58.915 -1.215 25135 11960 1 14 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.521 -0.521 25135 11961 1 14 . 1 1 93 93 GLN H H 93 8.710 8.710 8.352 0.358 25135 11962 1 14 . 1 1 94 94 ASP N N 94 116.400 116.400 114.885 1.515 25135 11963 1 14 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.759 -0.199 25135 11964 1 14 . 1 1 94 94 ASP CA C 94 54.000 54.000 54.237 -0.237 25135 11965 1 14 . 1 1 94 94 ASP CB C 94 41.700 41.700 41.548 0.152 25135 11966 1 14 . 1 1 94 94 ASP H H 94 7.800 7.800 8.411 -0.611 25135 11967 1 14 . 1 1 95 95 LYS N N 95 114.300 114.300 116.018 -1.718 25135 11968 1 14 . 1 1 95 95 LYS H H 95 8.290 8.290 8.667 -0.377 25135 11969 1 14 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.454 -0.134 25135 11970 1 14 . 1 1 96 96 ILE C C 96 177.000 177.000 176.844 0.156 25135 11971 1 14 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.987 0.813 25135 11972 1 14 . 1 1 96 96 ILE CB C 96 38.100 38.100 39.946 -1.846 25135 11973 1 14 . 1 1 97 97 LEU N N 97 131.100 131.100 127.467 3.633 25135 11974 1 14 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.440 -0.320 25135 11975 1 14 . 1 1 97 97 LEU C C 97 177.200 177.200 177.366 -0.166 25135 11976 1 14 . 1 1 97 97 LEU CA C 97 58.000 58.000 58.860 -0.860 25135 11977 1 14 . 1 1 97 97 LEU CB C 97 42.900 42.900 41.841 1.059 25135 11978 1 14 . 1 1 97 97 LEU H H 97 8.620 8.620 9.105 -0.485 25135 11979 1 14 . 1 1 98 98 PHE N N 98 113.600 113.600 112.492 1.108 25135 11980 1 14 . 1 1 98 98 PHE HA H 98 5.100 5.100 4.872 0.228 25135 11981 1 14 . 1 1 98 98 PHE C C 98 175.400 175.400 175.277 0.123 25135 11982 1 14 . 1 1 98 98 PHE CA C 98 55.700 55.700 54.652 1.048 25135 11983 1 14 . 1 1 98 98 PHE CB C 98 37.600 37.600 37.822 -0.222 25135 11984 1 14 . 1 1 98 98 PHE H H 98 8.450 8.450 8.097 0.353 25135 11985 1 14 . 1 1 99 99 LYS N N 99 119.500 119.500 123.940 -4.440 25135 11986 1 14 . 1 1 99 99 LYS HA H 99 3.880 3.880 3.940 -0.060 25135 11987 1 14 . 1 1 99 99 LYS C C 99 178.900 178.900 177.892 1.008 25135 11988 1 14 . 1 1 99 99 LYS CA C 99 61.100 61.100 59.221 1.879 25135 11989 1 14 . 1 1 99 99 LYS CB C 99 33.500 33.500 32.299 1.201 25135 11990 1 14 . 1 1 99 99 LYS H H 99 6.790 6.790 7.268 -0.478 25135 11991 1 14 . 1 1 100 100 ASP N N 100 117.800 117.800 119.253 -1.453 25135 11992 1 14 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.390 0.220 25135 11993 1 14 . 1 1 100 100 ASP C C 100 179.000 179.000 178.433 0.567 25135 11994 1 14 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.367 0.433 25135 11995 1 14 . 1 1 100 100 ASP CB C 100 40.400 40.400 39.612 0.788 25135 11996 1 14 . 1 1 100 100 ASP H H 100 8.520 8.520 8.666 -0.146 25135 11997 1 14 . 1 1 101 101 VAL N N 101 122.600 122.600 119.853 2.747 25135 11998 1 14 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.781 0.079 25135 11999 1 14 . 1 1 101 101 VAL C C 101 177.100 177.100 177.964 -0.864 25135 12000 1 14 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.680 -0.980 25135 12001 1 14 . 1 1 101 101 VAL CB C 101 32.300 32.300 31.909 0.391 25135 12002 1 14 . 1 1 101 101 VAL H H 101 8.210 8.210 7.917 0.293 25135 12003 1 14 . 1 1 102 102 ASN N N 102 121.000 121.000 117.090 3.910 25135 12004 1 14 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.873 -0.313 25135 12005 1 14 . 1 1 102 102 ASN C C 102 178.500 178.500 177.925 0.575 25135 12006 1 14 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.286 -0.086 25135 12007 1 14 . 1 1 102 102 ASN CB C 102 37.900 37.900 37.858 0.043 25135 12008 1 14 . 1 1 102 102 ASN H H 102 9.060 9.060 8.369 0.691 25135 12009 1 14 . 1 1 103 103 ARG N N 103 120.700 120.700 120.072 0.628 25135 12010 1 14 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.124 0.036 25135 12011 1 14 . 1 1 103 103 ARG C C 103 177.900 177.900 178.306 -0.406 25135 12012 1 14 . 1 1 103 103 ARG CA C 103 59.100 59.100 59.513 -0.413 25135 12013 1 14 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.529 -0.629 25135 12014 1 14 . 1 1 103 103 ARG H H 103 7.640 7.640 7.989 -0.349 25135 12015 1 14 . 1 1 104 104 LYS N N 104 119.700 119.700 120.445 -0.745 25135 12016 1 14 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.194 -0.004 25135 12017 1 14 . 1 1 104 104 LYS C C 104 179.300 179.300 178.906 0.394 25135 12018 1 14 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.327 0.773 25135 12019 1 14 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.487 0.013 25135 12020 1 14 . 1 1 104 104 LYS H H 104 7.960 7.960 8.274 -0.314 25135 12021 1 14 . 1 1 105 105 LEU N N 105 118.200 118.200 120.581 -2.381 25135 12022 1 14 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.151 -0.111 25135 12023 1 14 . 1 1 105 105 LEU C C 105 178.400 178.400 178.647 -0.247 25135 12024 1 14 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.329 0.171 25135 12025 1 14 . 1 1 105 105 LEU CB C 105 42.500 42.500 42.002 0.498 25135 12026 1 14 . 1 1 105 105 LEU H H 105 8.990 8.990 8.617 0.373 25135 12027 1 14 . 1 1 106 106 SER N N 106 111.700 111.700 114.312 -2.612 25135 12028 1 14 . 1 1 106 106 SER HA H 106 3.870 3.870 4.474 -0.604 25135 12029 1 14 . 1 1 106 106 SER C C 106 177.500 177.500 176.575 0.925 25135 12030 1 14 . 1 1 106 106 SER CA C 106 61.400 61.400 62.168 -0.768 25135 12031 1 14 . 1 1 106 106 SER CB C 106 62.600 62.600 62.720 -0.120 25135 12032 1 14 . 1 1 106 106 SER H H 106 7.980 7.980 7.918 0.062 25135 12033 1 14 . 1 1 107 107 ASP N N 107 122.000 122.000 121.540 0.460 25135 12034 1 14 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.451 -0.011 25135 12035 1 14 . 1 1 107 107 ASP C C 107 179.700 179.700 178.614 1.086 25135 12036 1 14 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.151 0.749 25135 12037 1 14 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.767 -0.167 25135 12038 1 14 . 1 1 107 107 ASP H H 107 8.500 8.500 7.819 0.681 25135 12039 1 14 . 1 1 108 108 VAL N N 108 119.200 119.200 119.185 0.015 25135 12040 1 14 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.705 0.305 25135 12041 1 14 . 1 1 108 108 VAL C C 108 178.400 178.400 177.314 1.086 25135 12042 1 14 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.170 -0.570 25135 12043 1 14 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.477 0.023 25135 12044 1 14 . 1 1 108 108 VAL H H 108 8.830 8.830 8.192 0.638 25135 12045 1 14 . 1 1 109 109 TRP N N 109 121.900 121.900 121.446 0.454 25135 12046 1 14 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.939 0.331 25135 12047 1 14 . 1 1 109 109 TRP C C 109 178.000 178.000 177.516 0.484 25135 12048 1 14 . 1 1 109 109 TRP CA C 109 60.100 60.100 59.829 0.271 25135 12049 1 14 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.472 0.228 25135 12050 1 14 . 1 1 109 109 TRP H H 109 8.710 8.710 7.746 0.964 25135 12051 1 14 . 1 1 110 110 LYS N N 110 119.500 119.500 118.922 0.578 25135 12052 1 14 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.719 -0.089 25135 12053 1 14 . 1 1 110 110 LYS C C 110 178.000 178.000 179.105 -1.105 25135 12054 1 14 . 1 1 110 110 LYS CA C 110 60.500 60.500 59.867 0.633 25135 12055 1 14 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.061 0.139 25135 12056 1 14 . 1 1 110 110 LYS H H 110 8.010 8.010 7.534 0.476 25135 12057 1 14 . 1 1 111 111 GLU N N 111 116.700 116.700 118.376 -1.676 25135 12058 1 14 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.066 -0.056 25135 12059 1 14 . 1 1 111 111 GLU C C 111 178.400 178.400 178.829 -0.429 25135 12060 1 14 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.556 0.244 25135 12061 1 14 . 1 1 111 111 GLU CB C 111 30.400 30.400 29.892 0.508 25135 12062 1 14 . 1 1 111 111 GLU H H 111 7.000 7.000 7.815 -0.815 25135 12063 1 14 . 1 1 112 112 LEU N N 112 119.000 119.000 121.213 -2.213 25135 12064 1 14 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.175 -0.435 25135 12065 1 14 . 1 1 112 112 LEU C C 112 177.600 177.600 177.551 0.049 25135 12066 1 14 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.222 0.578 25135 12067 1 14 . 1 1 112 112 LEU CB C 112 42.200 42.200 42.035 0.165 25135 12068 1 14 . 1 1 112 112 LEU H H 112 8.380 8.380 8.088 0.292 25135 12069 1 14 . 1 1 113 113 SER N N 113 113.100 113.100 115.217 -2.117 25135 12070 1 14 . 1 1 113 113 SER HA H 113 3.190 3.190 3.393 -0.203 25135 12071 1 14 . 1 1 113 113 SER C C 113 176.300 176.300 176.174 0.126 25135 12072 1 14 . 1 1 113 113 SER CA C 113 61.600 61.600 61.164 0.436 25135 12073 1 14 . 1 1 113 113 SER CB C 113 61.800 61.800 61.802 -0.002 25135 12074 1 14 . 1 1 113 113 SER H H 113 8.490 8.490 7.866 0.624 25135 12075 1 14 . 1 1 114 114 LEU N N 114 121.500 121.500 120.937 0.563 25135 12076 1 14 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.142 -0.122 25135 12077 1 14 . 1 1 114 114 LEU C C 114 179.100 179.100 178.139 0.961 25135 12078 1 14 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.717 0.283 25135 12079 1 14 . 1 1 114 114 LEU CB C 114 41.800 41.800 41.329 0.471 25135 12080 1 14 . 1 1 114 114 LEU H H 114 6.810 6.810 7.085 -0.275 25135 12081 1 14 . 1 1 115 115 LEU N N 115 118.200 118.200 118.340 -0.140 25135 12082 1 14 . 1 1 115 115 LEU HA H 115 4.060 4.060 3.897 0.163 25135 12083 1 14 . 1 1 115 115 LEU C C 115 179.600 179.600 179.092 0.508 25135 12084 1 14 . 1 1 115 115 LEU CA C 115 57.700 57.700 57.317 0.383 25135 12085 1 14 . 1 1 115 115 LEU CB C 115 43.100 43.100 41.470 1.630 25135 12086 1 14 . 1 1 115 115 LEU H H 115 7.270 7.270 7.122 0.148 25135 12087 1 14 . 1 1 116 116 LEU N N 116 118.700 118.700 120.117 -1.417 25135 12088 1 14 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.903 -0.053 25135 12089 1 14 . 1 1 116 116 LEU C C 116 179.300 179.300 179.229 0.071 25135 12090 1 14 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.066 -0.466 25135 12091 1 14 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.700 -0.300 25135 12092 1 14 . 1 1 116 116 LEU H H 116 8.440 8.440 8.030 0.410 25135 12093 1 14 . 1 1 117 117 GLN N N 117 119.500 119.500 117.690 1.810 25135 12094 1 14 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.313 0.027 25135 12095 1 14 . 1 1 117 117 GLN C C 117 178.200 178.200 178.413 -0.213 25135 12096 1 14 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.958 -0.158 25135 12097 1 14 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.568 0.232 25135 12098 1 14 . 1 1 117 117 GLN H H 117 8.030 8.030 8.237 -0.207 25135 12099 1 14 . 1 1 118 118 VAL N N 118 117.600 117.600 119.194 -1.594 25135 12100 1 14 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.812 0.028 25135 12101 1 14 . 1 1 118 118 VAL C C 118 177.900 177.900 178.028 -0.128 25135 12102 1 14 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.273 0.127 25135 12103 1 14 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.680 1.220 25135 12104 1 14 . 1 1 118 118 VAL H H 118 8.110 8.110 7.021 1.089 25135 12105 1 14 . 1 1 119 119 GLU N N 119 116.900 116.900 118.579 -1.679 25135 12106 1 14 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.055 0.255 25135 12107 1 14 . 1 1 119 119 GLU C C 119 177.700 177.700 178.689 -0.989 25135 12108 1 14 . 1 1 119 119 GLU CA C 119 58.400 58.400 58.942 -0.542 25135 12109 1 14 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.530 1.170 25135 12110 1 14 . 1 1 119 119 GLU H H 119 8.620 8.620 8.327 0.293 25135 12111 1 14 . 1 1 120 120 GLN N N 120 113.300 113.300 116.499 -3.199 25135 12112 1 14 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.335 0.115 25135 12113 1 14 . 1 1 120 120 GLN C C 120 174.700 174.700 176.186 -1.486 25135 12114 1 14 . 1 1 120 120 GLN CA C 120 54.500 54.500 55.769 -1.269 25135 12115 1 14 . 1 1 120 120 GLN CB C 120 28.600 28.600 29.855 -1.255 25135 12116 1 14 . 1 1 120 120 GLN H H 120 7.350 7.350 8.018 -0.668 25135 12117 1 14 . 1 1 121 121 ARG N N 121 114.800 114.800 116.159 -1.359 25135 12118 1 14 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.159 -0.039 25135 12119 1 14 . 1 1 121 121 ARG C C 121 175.600 175.600 175.649 -0.049 25135 12120 1 14 . 1 1 121 121 ARG CA C 121 56.600 56.600 57.198 -0.598 25135 12121 1 14 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.431 0.269 25135 12122 1 14 . 1 1 121 121 ARG H H 121 7.410 7.410 7.691 -0.281 25135 12123 1 14 . 1 1 122 122 MET N N 122 120.300 120.300 117.726 2.574 25135 12124 1 14 . 1 1 122 122 MET HA H 122 4.600 4.600 4.821 -0.221 25135 12125 1 14 . 1 1 122 122 MET CA C 122 53.700 53.700 53.407 0.293 25135 12126 1 14 . 1 1 122 122 MET CB C 122 34.700 34.700 32.647 2.053 25135 12127 1 14 . 1 1 122 122 MET H H 122 7.760 7.760 7.469 0.291 25135 12128 1 14 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.473 0.007 25135 12129 1 14 . 1 1 123 123 PRO C C 123 176.300 176.300 175.787 0.513 25135 12130 1 14 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.526 -0.726 25135 12131 1 14 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.676 -0.376 25135 12132 1 14 . 1 1 124 124 VAL N N 124 120.000 120.000 121.667 -1.667 25135 12133 1 14 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.380 -0.300 25135 12134 1 14 . 1 1 124 124 VAL C C 124 175.800 175.800 174.959 0.841 25135 12135 1 14 . 1 1 124 124 VAL CA C 124 61.700 61.700 60.968 0.732 25135 12136 1 14 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.529 -1.429 25135 12137 1 14 . 1 1 124 124 VAL H H 124 8.080 8.080 8.186 -0.106 25135 12138 1 14 . 1 1 125 125 SER N N 125 121.200 121.200 118.558 2.642 25135 12139 1 14 . 1 1 125 125 SER HA H 125 4.800 4.800 4.947 -0.147 25135 12140 1 14 . 1 1 125 125 SER CA C 125 56.200 56.200 56.454 -0.254 25135 12141 1 14 . 1 1 125 125 SER CB C 125 63.700 63.700 64.030 -0.330 25135 12142 1 14 . 1 1 125 125 SER H H 125 8.380 8.380 8.251 0.129 25135 12143 1 14 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.456 0.024 25135 12144 1 14 . 1 1 126 126 PRO C C 126 177.100 177.100 176.015 1.085 25135 12145 1 14 . 1 1 126 126 PRO CA C 126 63.400 63.400 63.157 0.243 25135 12146 1 14 . 1 1 126 126 PRO CB C 126 31.900 31.900 29.681 2.219 25135 12147 1 14 . 1 1 127 127 ILE N N 127 119.900 119.900 119.487 0.413 25135 12148 1 14 . 1 1 127 127 ILE HA H 127 4.140 4.140 4.113 0.027 25135 12149 1 14 . 1 1 127 127 ILE C C 127 176.300 176.300 177.063 -0.763 25135 12150 1 14 . 1 1 127 127 ILE CA C 127 61.300 61.300 61.666 -0.367 25135 12151 1 14 . 1 1 127 127 ILE CB C 127 38.800 38.800 35.464 3.337 25135 12152 1 14 . 1 1 127 127 ILE H H 127 8.050 8.050 8.843 -0.793 25135 12153 1 14 . 1 1 128 128 SER N N 128 119.000 119.000 116.572 2.428 25135 12154 1 14 . 1 1 128 128 SER HA H 128 4.400 4.400 4.114 0.286 25135 12155 1 14 . 1 1 128 128 SER C C 128 174.600 174.600 175.933 -1.333 25135 12156 1 14 . 1 1 128 128 SER CA C 128 58.300 58.300 61.358 -3.058 25135 12157 1 14 . 1 1 128 128 SER CB C 128 63.600 63.600 63.340 0.260 25135 12158 1 14 . 1 1 128 128 SER H H 128 8.230 8.230 8.887 -0.657 25135 12159 1 14 . 1 1 129 129 GLN N N 129 122.600 122.600 118.070 4.530 25135 12160 1 14 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.281 -0.051 25135 12161 1 14 . 1 1 129 129 GLN C C 129 176.200 176.200 176.913 -0.713 25135 12162 1 14 . 1 1 129 129 GLN CA C 129 56.300 56.300 56.616 -0.316 25135 12163 1 14 . 1 1 129 129 GLN CB C 129 29.100 29.100 28.911 0.189 25135 12164 1 14 . 1 1 129 129 GLN H H 129 8.340 8.340 8.104 0.236 25135 12165 1 14 . 1 1 130 130 GLY N N 130 109.200 109.200 106.331 2.869 25135 12166 1 14 . 1 1 130 130 GLY C C 130 175.100 175.100 173.880 1.220 25135 12167 1 14 . 1 1 130 130 GLY CA C 130 45.200 45.200 44.960 0.240 25135 12168 1 14 . 1 1 130 130 GLY H H 130 8.150 8.150 8.301 -0.151 25135 12169 1 14 . 1 1 131 131 ALA N N 131 124.700 124.700 123.348 1.352 25135 12170 1 14 . 1 1 131 131 ALA HA H 131 4.230 4.230 2.913 1.317 25135 12171 1 14 . 1 1 131 131 ALA C C 131 178.700 178.700 177.525 1.175 25135 12172 1 14 . 1 1 131 131 ALA CA C 131 53.800 53.800 52.273 1.526 25135 12173 1 14 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.504 0.396 25135 12174 1 14 . 1 1 131 131 ALA H H 131 8.070 8.070 8.024 0.046 25135 12175 1 14 . 1 1 132 132 SER N N 132 113.200 113.200 113.945 -0.745 25135 12176 1 14 . 1 1 132 132 SER HA H 132 4.580 4.580 4.321 0.259 25135 12177 1 14 . 1 1 132 132 SER C C 132 175.700 175.700 175.949 -0.249 25135 12178 1 14 . 1 1 132 132 SER CA C 132 58.500 58.500 59.427 -0.927 25135 12179 1 14 . 1 1 132 132 SER CB C 132 63.800 63.800 62.265 1.535 25135 12180 1 14 . 1 1 132 132 SER H H 132 8.340 8.340 7.919 0.421 25135 12181 1 14 . 1 1 133 133 TRP N N 133 122.800 122.800 123.681 -0.881 25135 12182 1 14 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.343 0.187 25135 12183 1 14 . 1 1 133 133 TRP C C 133 178.200 178.200 177.519 0.681 25135 12184 1 14 . 1 1 133 133 TRP CA C 133 58.900 58.900 59.060 -0.160 25135 12185 1 14 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.416 1.784 25135 12186 1 14 . 1 1 133 133 TRP H H 133 8.380 8.380 7.192 1.188 25135 12187 1 14 . 1 1 134 134 ALA N N 134 120.600 120.600 120.327 0.273 25135 12188 1 14 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.879 0.371 25135 12189 1 14 . 1 1 134 134 ALA C C 134 180.700 180.700 179.727 0.973 25135 12190 1 14 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.057 0.643 25135 12191 1 14 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.917 0.083 25135 12192 1 14 . 1 1 134 134 ALA H H 134 8.420 8.420 8.551 -0.131 25135 12193 1 14 . 1 1 135 135 GLN N N 135 118.900 118.900 117.452 1.448 25135 12194 1 14 . 1 1 135 135 GLN HA H 135 4.100 4.100 4.316 -0.216 25135 12195 1 14 . 1 1 135 135 GLN C C 135 179.200 179.200 178.142 1.058 25135 12196 1 14 . 1 1 135 135 GLN CA C 135 59.000 59.000 58.388 0.612 25135 12197 1 14 . 1 1 135 135 GLN CB C 135 28.500 28.500 28.424 0.076 25135 12198 1 14 . 1 1 135 135 GLN H H 135 7.860 7.860 8.198 -0.338 25135 12199 1 14 . 1 1 136 136 GLU N N 136 120.900 120.900 119.822 1.078 25135 12200 1 14 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.176 -0.356 25135 12201 1 14 . 1 1 136 136 GLU C C 136 177.800 177.800 178.524 -0.724 25135 12202 1 14 . 1 1 136 136 GLU CA C 136 59.000 59.000 58.785 0.215 25135 12203 1 14 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.588 0.412 25135 12204 1 14 . 1 1 136 136 GLU H H 136 7.720 7.720 7.668 0.052 25135 12205 1 14 . 1 1 137 137 ASP N N 137 118.200 118.200 120.678 -2.478 25135 12206 1 14 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.437 0.023 25135 12207 1 14 . 1 1 137 137 ASP C C 137 178.100 178.100 178.548 -0.448 25135 12208 1 14 . 1 1 137 137 ASP CA C 137 57.200 57.200 57.599 -0.399 25135 12209 1 14 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.777 -0.677 25135 12210 1 14 . 1 1 137 137 ASP H H 137 8.800 8.800 8.787 0.012 25135 12211 1 14 . 1 1 138 138 GLN N N 138 116.900 116.900 118.189 -1.289 25135 12212 1 14 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.064 -0.184 25135 12213 1 14 . 1 1 138 138 GLN C C 138 178.400 178.400 178.294 0.106 25135 12214 1 14 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.545 0.355 25135 12215 1 14 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.470 0.230 25135 12216 1 14 . 1 1 138 138 GLN H H 138 7.510 7.510 7.632 -0.122 25135 12217 1 14 . 1 1 139 139 GLN N N 139 119.500 119.500 119.368 0.132 25135 12218 1 14 . 1 1 139 139 GLN HA H 139 4.110 4.110 4.036 0.074 25135 12219 1 14 . 1 1 139 139 GLN C C 139 178.900 178.900 178.770 0.130 25135 12220 1 14 . 1 1 139 139 GLN CA C 139 58.900 58.900 58.884 0.016 25135 12221 1 14 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.336 0.264 25135 12222 1 14 . 1 1 139 139 GLN H H 139 7.520 7.520 7.755 -0.235 25135 12223 1 14 . 1 1 140 140 ASP N N 140 121.700 121.700 118.331 3.369 25135 12224 1 14 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.641 -0.621 25135 12225 1 14 . 1 1 140 140 ASP C C 140 177.700 177.700 177.856 -0.156 25135 12226 1 14 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.526 0.774 25135 12227 1 14 . 1 1 140 140 ASP CB C 140 40.700 40.700 41.208 -0.508 25135 12228 1 14 . 1 1 140 140 ASP H H 140 9.130 9.130 8.154 0.976 25135 12229 1 14 . 1 1 141 141 ALA N N 141 121.000 121.000 124.387 -3.387 25135 12230 1 14 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.197 0.053 25135 12231 1 14 . 1 1 141 141 ALA C C 141 180.800 180.800 179.034 1.766 25135 12232 1 14 . 1 1 141 141 ALA CA C 141 55.400 55.400 55.164 0.236 25135 12233 1 14 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.632 0.868 25135 12234 1 14 . 1 1 141 141 ALA H H 141 8.720 8.720 8.073 0.647 25135 12235 1 14 . 1 1 142 142 ASP N N 142 119.100 119.100 118.280 0.820 25135 12236 1 14 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.361 0.069 25135 12237 1 14 . 1 1 142 142 ASP C C 142 178.600 178.600 178.753 -0.153 25135 12238 1 14 . 1 1 142 142 ASP CA C 142 57.600 57.600 57.581 0.019 25135 12239 1 14 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.579 0.721 25135 12240 1 14 . 1 1 142 142 ASP H H 142 7.850 7.850 8.754 -0.904 25135 12241 1 14 . 1 1 143 143 GLU N N 143 119.500 119.500 118.517 0.983 25135 12242 1 14 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.124 -0.094 25135 12243 1 14 . 1 1 143 143 GLU C C 143 180.100 180.100 178.819 1.281 25135 12244 1 14 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.793 0.907 25135 12245 1 14 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.771 -0.171 25135 12246 1 14 . 1 1 143 143 GLU H H 143 7.860 7.860 7.693 0.167 25135 12247 1 14 . 1 1 144 144 ASP N N 144 121.000 121.000 121.177 -0.177 25135 12248 1 14 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.366 0.284 25135 12249 1 14 . 1 1 144 144 ASP C C 144 179.500 179.500 178.306 1.194 25135 12250 1 14 . 1 1 144 144 ASP CA C 144 57.500 57.500 58.046 -0.546 25135 12251 1 14 . 1 1 144 144 ASP CB C 144 41.100 41.100 40.615 0.485 25135 12252 1 14 . 1 1 144 144 ASP H H 144 8.840 8.840 8.207 0.633 25135 12253 1 14 . 1 1 145 145 ARG N N 145 121.400 121.400 118.453 2.947 25135 12254 1 14 . 1 1 145 145 ARG HA H 145 4.130 4.130 4.217 -0.087 25135 12255 1 14 . 1 1 145 145 ARG C C 145 178.700 178.700 179.085 -0.385 25135 12256 1 14 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.397 0.103 25135 12257 1 14 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.999 -0.399 25135 12258 1 14 . 1 1 145 145 ARG H H 145 8.510 8.510 8.293 0.217 25135 12259 1 14 . 1 1 146 146 ARG N N 146 119.400 119.400 118.917 0.483 25135 12260 1 14 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.190 -0.080 25135 12261 1 14 . 1 1 146 146 ARG C C 146 178.400 178.400 178.134 0.266 25135 12262 1 14 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.425 0.975 25135 12263 1 14 . 1 1 146 146 ARG CB C 146 30.200 30.200 29.293 0.907 25135 12264 1 14 . 1 1 146 146 ARG H H 146 7.680 7.680 7.830 -0.150 25135 12265 1 14 . 1 1 147 147 ALA N N 147 120.300 120.300 123.393 -3.093 25135 12266 1 14 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.162 0.148 25135 12267 1 14 . 1 1 147 147 ALA C C 147 179.500 179.500 179.437 0.063 25135 12268 1 14 . 1 1 147 147 ALA CA C 147 54.100 54.100 54.768 -0.668 25135 12269 1 14 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.536 0.564 25135 12270 1 14 . 1 1 147 147 ALA H H 147 7.840 7.840 8.058 -0.218 25135 12271 1 14 . 1 1 148 148 PHE N N 148 119.900 119.900 117.536 2.364 25135 12272 1 14 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.843 -0.453 25135 12273 1 14 . 1 1 148 148 PHE C C 148 176.900 176.900 177.420 -0.520 25135 12274 1 14 . 1 1 148 148 PHE CA C 148 60.500 60.500 58.234 2.266 25135 12275 1 14 . 1 1 148 148 PHE CB C 148 39.700 39.700 38.279 1.421 25135 12276 1 14 . 1 1 148 148 PHE H H 148 8.210 8.210 8.365 -0.155 25135 12277 1 14 . 1 1 149 149 GLN N N 149 118.500 118.500 119.255 -0.755 25135 12278 1 14 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.328 0.802 25135 12279 1 14 . 1 1 149 149 GLN C C 149 176.400 176.400 177.180 -0.780 25135 12280 1 14 . 1 1 149 149 GLN CA C 149 56.900 56.900 58.269 -1.369 25135 12281 1 14 . 1 1 149 149 GLN CB C 149 28.900 28.900 28.696 0.204 25135 12282 1 14 . 1 1 149 149 GLN H H 149 7.960 7.960 7.368 0.592 25135 12283 1 14 . 1 1 150 150 MET N N 150 118.000 118.000 113.811 4.189 25135 12284 1 14 . 1 1 150 150 MET HA H 150 4.360 4.360 4.423 -0.063 25135 12285 1 14 . 1 1 150 150 MET C C 150 176.300 176.300 176.014 0.286 25135 12286 1 14 . 1 1 150 150 MET CA C 150 56.000 56.000 56.284 -0.284 25135 12287 1 14 . 1 1 150 150 MET CB C 150 32.800 32.800 34.995 -2.195 25135 12288 1 14 . 1 1 150 150 MET H H 150 7.760 7.760 7.565 0.195 25135 12289 1 14 . 1 1 151 151 LEU N N 151 121.200 121.200 121.224 -0.024 25135 12290 1 14 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.502 -0.232 25135 12291 1 14 . 1 1 151 151 LEU C C 151 177.100 177.100 175.830 1.270 25135 12292 1 14 . 1 1 151 151 LEU CA C 151 55.400 55.400 53.638 1.762 25135 12293 1 14 . 1 1 151 151 LEU CB C 151 42.300 42.300 42.165 0.135 25135 12294 1 14 . 1 1 151 151 LEU H H 151 7.690 7.690 8.212 -0.522 25135 12295 1 14 . 1 1 152 152 ARG N N 152 121.800 121.800 125.221 -3.421 25135 12296 1 14 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.080 0.160 25135 12297 1 14 . 1 1 152 152 ARG C C 152 176.000 176.000 176.946 -0.946 25135 12298 1 14 . 1 1 152 152 ARG CA C 152 56.200 56.200 57.882 -1.682 25135 12299 1 14 . 1 1 152 152 ARG CB C 152 30.900 30.900 29.588 1.312 25135 12300 1 14 . 1 1 152 152 ARG H H 152 8.120 8.120 8.847 -0.727 25135 12301 1 14 . 1 1 153 153 ARG N N 153 123.100 123.100 122.327 0.773 25135 12302 1 14 . 1 1 153 153 ARG HA H 153 4.360 4.360 3.864 0.496 25135 12303 1 14 . 1 1 153 153 ARG C C 153 174.900 174.900 175.043 -0.143 25135 12304 1 14 . 1 1 153 153 ARG CA C 153 56.000 56.000 58.721 -2.721 25135 12305 1 14 . 1 1 153 153 ARG CB C 153 31.000 31.000 29.340 1.660 25135 12306 1 14 . 1 1 153 153 ARG H H 153 8.380 8.380 8.951 -0.571 25135 12307 1 15 . 1 1 2 2 GLU N N 2 120.000 120.000 120.418 -0.418 25135 12308 1 15 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.022 -0.042 25135 12309 1 15 . 1 1 2 2 GLU C C 2 178.400 178.400 177.643 0.757 25135 12310 1 15 . 1 1 2 2 GLU CA C 2 59.400 59.400 59.444 -0.044 25135 12311 1 15 . 1 1 2 2 GLU CB C 2 29.200 29.200 29.244 -0.044 25135 12312 1 15 . 1 1 2 2 GLU H H 2 8.140 8.140 8.876 -0.736 25135 12313 1 15 . 1 1 3 3 ASN N N 3 117.300 117.300 115.128 2.172 25135 12314 1 15 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.690 -0.050 25135 12315 1 15 . 1 1 3 3 ASN C C 3 177.900 177.900 176.724 1.176 25135 12316 1 15 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.741 1.059 25135 12317 1 15 . 1 1 3 3 ASN CB C 3 39.000 39.000 38.172 0.828 25135 12318 1 15 . 1 1 3 3 ASN H H 3 7.960 7.960 8.660 -0.700 25135 12319 1 15 . 1 1 4 4 LEU N N 4 119.700 119.700 122.409 -2.709 25135 12320 1 15 . 1 1 4 4 LEU HA H 4 4.030 4.030 3.996 0.034 25135 12321 1 15 . 1 1 4 4 LEU C C 4 177.900 177.900 178.366 -0.466 25135 12322 1 15 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.595 -0.195 25135 12323 1 15 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.786 0.214 25135 12324 1 15 . 1 1 4 4 LEU H H 4 8.450 8.450 8.077 0.373 25135 12325 1 15 . 1 1 5 5 LYS N N 5 118.200 118.200 115.743 2.457 25135 12326 1 15 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.077 -0.137 25135 12327 1 15 . 1 1 5 5 LYS C C 5 179.200 179.200 179.134 0.066 25135 12328 1 15 . 1 1 5 5 LYS CA C 5 60.000 60.000 58.237 1.763 25135 12329 1 15 . 1 1 5 5 LYS CB C 5 31.900 31.900 31.550 0.350 25135 12330 1 15 . 1 1 5 5 LYS H H 5 7.940 7.940 7.849 0.091 25135 12331 1 15 . 1 1 6 6 HIS N N 6 118.400 118.400 119.505 -1.105 25135 12332 1 15 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.489 -0.069 25135 12333 1 15 . 1 1 6 6 HIS C C 6 178.200 178.200 177.663 0.537 25135 12334 1 15 . 1 1 6 6 HIS CA C 6 59.100 59.100 59.046 0.054 25135 12335 1 15 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.282 0.618 25135 12336 1 15 . 1 1 6 6 HIS H H 6 7.710 7.710 7.742 -0.032 25135 12337 1 15 . 1 1 7 7 ILE N N 7 120.300 120.300 121.298 -0.998 25135 12338 1 15 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.501 -0.061 25135 12339 1 15 . 1 1 7 7 ILE C C 7 176.500 176.500 177.449 -0.949 25135 12340 1 15 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.517 0.483 25135 12341 1 15 . 1 1 7 7 ILE CB C 7 38.700 38.700 38.020 0.680 25135 12342 1 15 . 1 1 7 7 ILE H H 7 7.950 7.950 8.295 -0.345 25135 12343 1 15 . 1 1 8 8 ILE N N 8 120.200 120.200 119.706 0.494 25135 12344 1 15 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.436 0.144 25135 12345 1 15 . 1 1 8 8 ILE C C 8 178.000 178.000 177.843 0.157 25135 12346 1 15 . 1 1 8 8 ILE CA C 8 65.800 65.800 66.024 -0.224 25135 12347 1 15 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.569 1.031 25135 12348 1 15 . 1 1 8 8 ILE H H 8 8.450 8.450 8.891 -0.441 25135 12349 1 15 . 1 1 9 9 THR N N 9 115.400 115.400 114.604 0.796 25135 12350 1 15 . 1 1 9 9 THR HA H 9 3.880 3.880 3.921 -0.041 25135 12351 1 15 . 1 1 9 9 THR C C 9 176.300 176.300 176.566 -0.266 25135 12352 1 15 . 1 1 9 9 THR CA C 9 66.900 66.900 66.341 0.559 25135 12353 1 15 . 1 1 9 9 THR CB C 9 68.800 68.800 68.837 -0.036 25135 12354 1 15 . 1 1 9 9 THR H H 9 8.120 8.120 7.430 0.690 25135 12355 1 15 . 1 1 10 10 LEU N N 10 122.100 122.100 121.625 0.475 25135 12356 1 15 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.088 -0.038 25135 12357 1 15 . 1 1 10 10 LEU C C 10 178.800 178.800 178.260 0.540 25135 12358 1 15 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.728 1.172 25135 12359 1 15 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.238 1.062 25135 12360 1 15 . 1 1 10 10 LEU H H 10 7.950 7.950 7.492 0.458 25135 12361 1 15 . 1 1 11 11 GLY N N 11 105.800 105.800 105.206 0.594 25135 12362 1 15 . 1 1 11 11 GLY C C 11 174.700 174.700 176.185 -1.485 25135 12363 1 15 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.084 0.416 25135 12364 1 15 . 1 1 11 11 GLY H H 11 8.660 8.660 8.532 0.128 25135 12365 1 15 . 1 1 12 12 GLN N N 12 119.600 119.600 119.982 -0.382 25135 12366 1 15 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.300 -0.310 25135 12367 1 15 . 1 1 12 12 GLN C C 12 179.600 179.600 178.636 0.964 25135 12368 1 15 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.586 1.714 25135 12369 1 15 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.475 -0.575 25135 12370 1 15 . 1 1 12 12 GLN H H 12 8.050 8.050 7.443 0.607 25135 12371 1 15 . 1 1 13 13 VAL N N 13 122.600 122.600 122.144 0.456 25135 12372 1 15 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.492 0.178 25135 12373 1 15 . 1 1 13 13 VAL C C 13 178.500 178.500 177.874 0.626 25135 12374 1 15 . 1 1 13 13 VAL CA C 13 66.700 66.700 67.047 -0.348 25135 12375 1 15 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.662 0.238 25135 12376 1 15 . 1 1 13 13 VAL H H 13 8.300 8.300 7.868 0.432 25135 12377 1 15 . 1 1 14 14 ILE N N 14 121.000 121.000 118.857 2.143 25135 12378 1 15 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.505 -0.035 25135 12379 1 15 . 1 1 14 14 ILE C C 14 177.700 177.700 177.763 -0.063 25135 12380 1 15 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.246 0.554 25135 12381 1 15 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.677 0.723 25135 12382 1 15 . 1 1 14 14 ILE H H 14 8.480 8.480 8.511 -0.031 25135 12383 1 15 . 1 1 15 15 HIS N N 15 118.900 118.900 118.275 0.625 25135 12384 1 15 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.377 -0.477 25135 12385 1 15 . 1 1 15 15 HIS C C 15 176.200 176.200 177.042 -0.842 25135 12386 1 15 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.034 2.266 25135 12387 1 15 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.155 -0.155 25135 12388 1 15 . 1 1 15 15 HIS H H 15 8.250 8.250 7.554 0.696 25135 12389 1 15 . 1 1 16 16 LYS N N 16 118.500 118.500 119.980 -1.480 25135 12390 1 15 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.690 -0.020 25135 12391 1 15 . 1 1 16 16 LYS C C 16 179.200 179.200 178.844 0.356 25135 12392 1 15 . 1 1 16 16 LYS CA C 16 59.500 59.500 59.163 0.337 25135 12393 1 15 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.118 0.382 25135 12394 1 15 . 1 1 16 16 LYS H H 16 7.820 7.820 8.189 -0.369 25135 12395 1 15 . 1 1 17 17 ARG N N 17 117.600 117.600 119.042 -1.442 25135 12396 1 15 . 1 1 17 17 ARG HA H 17 3.960 3.960 4.154 -0.194 25135 12397 1 15 . 1 1 17 17 ARG C C 17 180.600 180.600 178.267 2.333 25135 12398 1 15 . 1 1 17 17 ARG CA C 17 59.200 59.200 59.402 -0.202 25135 12399 1 15 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.268 0.232 25135 12400 1 15 . 1 1 17 17 ARG H H 17 8.330 8.330 8.858 -0.528 25135 12401 1 15 . 1 1 18 18 CYS N N 18 118.100 118.100 116.003 2.097 25135 12402 1 15 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.292 -0.402 25135 12403 1 15 . 1 1 18 18 CYS C C 18 177.300 177.300 177.326 -0.026 25135 12404 1 15 . 1 1 18 18 CYS CA C 18 65.900 65.900 61.137 4.763 25135 12405 1 15 . 1 1 18 18 CYS CB C 18 27.600 27.600 26.762 0.838 25135 12406 1 15 . 1 1 18 18 CYS H H 18 8.550 8.550 7.631 0.919 25135 12407 1 15 . 1 1 19 19 GLU N N 19 117.900 117.900 120.694 -2.794 25135 12408 1 15 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.022 -0.212 25135 12409 1 15 . 1 1 19 19 GLU C C 19 177.100 177.100 177.487 -0.387 25135 12410 1 15 . 1 1 19 19 GLU CA C 19 58.300 58.300 58.989 -0.689 25135 12411 1 15 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.526 0.474 25135 12412 1 15 . 1 1 19 19 GLU H H 19 7.540 7.540 7.703 -0.163 25135 12413 1 15 . 1 1 20 20 GLU N N 20 115.400 115.400 113.327 2.073 25135 12414 1 15 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.313 -0.093 25135 12415 1 15 . 1 1 20 20 GLU C C 20 177.100 177.100 177.143 -0.043 25135 12416 1 15 . 1 1 20 20 GLU CA C 20 55.900 55.900 55.900 0.000 25135 12417 1 15 . 1 1 20 20 GLU CB C 20 30.600 30.600 29.915 0.685 25135 12418 1 15 . 1 1 20 20 GLU H H 20 7.190 7.190 7.482 -0.292 25135 12419 1 15 . 1 1 21 21 MET N N 21 120.500 120.500 120.617 -0.117 25135 12420 1 15 . 1 1 21 21 MET HA H 21 4.260 4.260 4.321 -0.061 25135 12421 1 15 . 1 1 21 21 MET C C 21 177.800 177.800 176.539 1.261 25135 12422 1 15 . 1 1 21 21 MET CA C 21 56.400 56.400 55.736 0.664 25135 12423 1 15 . 1 1 21 21 MET CB C 21 33.300 33.300 32.683 0.617 25135 12424 1 15 . 1 1 21 21 MET H H 21 6.940 6.940 7.429 -0.489 25135 12425 1 15 . 1 1 22 22 LYS N N 22 120.500 120.500 123.269 -2.769 25135 12426 1 15 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.378 -0.428 25135 12427 1 15 . 1 1 22 22 LYS C C 22 175.400 175.400 176.101 -0.701 25135 12428 1 15 . 1 1 22 22 LYS CA C 22 57.000 57.000 56.008 0.992 25135 12429 1 15 . 1 1 22 22 LYS CB C 22 33.600 33.600 33.508 0.092 25135 12430 1 15 . 1 1 22 22 LYS H H 22 8.760 8.760 8.792 -0.032 25135 12431 1 15 . 1 1 23 23 TYR N N 23 115.500 115.500 118.484 -2.984 25135 12432 1 15 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.593 0.317 25135 12433 1 15 . 1 1 23 23 TYR C C 23 173.700 173.700 175.314 -1.614 25135 12434 1 15 . 1 1 23 23 TYR CA C 23 55.000 55.000 58.044 -3.044 25135 12435 1 15 . 1 1 23 23 TYR CB C 23 41.900 41.900 40.634 1.266 25135 12436 1 15 . 1 1 23 23 TYR H H 23 7.260 7.260 7.891 -0.631 25135 12437 1 15 . 1 1 24 24 CYS N N 24 113.600 113.600 119.440 -5.840 25135 12438 1 15 . 1 1 24 24 CYS HA H 24 3.700 3.700 4.065 -0.365 25135 12439 1 15 . 1 1 24 24 CYS C C 24 174.700 174.700 176.010 -1.310 25135 12440 1 15 . 1 1 24 24 CYS CA C 24 60.400 60.400 59.052 1.348 25135 12441 1 15 . 1 1 24 24 CYS CB C 24 26.100 26.100 25.726 0.374 25135 12442 1 15 . 1 1 24 24 CYS H H 24 8.720 8.720 9.154 -0.434 25135 12443 1 15 . 1 1 25 25 LYS N N 25 115.800 115.800 119.279 -3.479 25135 12444 1 15 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.903 -0.323 25135 12445 1 15 . 1 1 25 25 LYS C C 25 179.800 179.800 178.568 1.232 25135 12446 1 15 . 1 1 25 25 LYS CA C 25 60.700 60.700 59.557 1.143 25135 12447 1 15 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.454 0.846 25135 12448 1 15 . 1 1 25 25 LYS H H 25 8.050 8.050 8.577 -0.527 25135 12449 1 15 . 1 1 26 26 LYS N N 26 121.000 121.000 118.972 2.028 25135 12450 1 15 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.931 0.059 25135 12451 1 15 . 1 1 26 26 LYS C C 26 181.300 181.300 179.289 2.011 25135 12452 1 15 . 1 1 26 26 LYS CA C 26 59.000 59.000 59.685 -0.685 25135 12453 1 15 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.799 -1.399 25135 12454 1 15 . 1 1 26 26 LYS H H 26 10.600 10.600 8.470 2.130 25135 12455 1 15 . 1 1 27 27 GLN N N 27 120.500 120.500 117.967 2.533 25135 12456 1 15 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.577 -0.607 25135 12457 1 15 . 1 1 27 27 GLN C C 27 180.200 180.200 178.602 1.598 25135 12458 1 15 . 1 1 27 27 GLN CA C 27 59.300 59.300 59.095 0.205 25135 12459 1 15 . 1 1 27 27 GLN CB C 27 32.100 32.100 28.942 3.158 25135 12460 1 15 . 1 1 27 27 GLN H H 27 9.890 9.890 7.791 2.099 25135 12461 1 15 . 1 1 28 28 CYS N N 28 118.800 118.800 119.185 -0.385 25135 12462 1 15 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.796 0.414 25135 12463 1 15 . 1 1 28 28 CYS C C 28 176.200 176.200 176.628 -0.428 25135 12464 1 15 . 1 1 28 28 CYS CA C 28 64.300 64.300 63.789 0.511 25135 12465 1 15 . 1 1 28 28 CYS CB C 28 26.800 26.800 26.587 0.213 25135 12466 1 15 . 1 1 28 28 CYS H H 28 8.550 8.550 8.279 0.271 25135 12467 1 15 . 1 1 29 29 ARG N N 29 119.300 119.300 119.651 -0.351 25135 12468 1 15 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.883 -0.013 25135 12469 1 15 . 1 1 29 29 ARG C C 29 178.900 178.900 178.771 0.129 25135 12470 1 15 . 1 1 29 29 ARG CA C 29 59.300 59.300 59.617 -0.317 25135 12471 1 15 . 1 1 29 29 ARG CB C 29 29.200 29.200 30.111 -0.911 25135 12472 1 15 . 1 1 29 29 ARG H H 29 8.700 8.700 8.491 0.209 25135 12473 1 15 . 1 1 30 30 ARG N N 30 119.700 119.700 118.828 0.872 25135 12474 1 15 . 1 1 30 30 ARG HA H 30 3.890 3.890 3.999 -0.109 25135 12475 1 15 . 1 1 30 30 ARG C C 30 178.000 178.000 178.421 -0.421 25135 12476 1 15 . 1 1 30 30 ARG CA C 30 58.200 58.200 59.239 -1.040 25135 12477 1 15 . 1 1 30 30 ARG CB C 30 29.100 29.100 29.602 -0.502 25135 12478 1 15 . 1 1 30 30 ARG H H 30 7.810 7.810 7.549 0.261 25135 12479 1 15 . 1 1 31 31 LEU N N 31 120.600 120.600 119.017 1.583 25135 12480 1 15 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.540 0.500 25135 12481 1 15 . 1 1 31 31 LEU C C 31 178.400 178.400 178.059 0.341 25135 12482 1 15 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.686 0.614 25135 12483 1 15 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.241 -0.041 25135 12484 1 15 . 1 1 31 31 LEU H H 31 7.310 7.310 7.901 -0.591 25135 12485 1 15 . 1 1 32 32 GLY N N 32 105.200 105.200 105.010 0.190 25135 12486 1 15 . 1 1 32 32 GLY C C 32 175.600 175.600 175.939 -0.339 25135 12487 1 15 . 1 1 32 32 GLY CA C 32 48.400 48.400 46.826 1.574 25135 12488 1 15 . 1 1 32 32 GLY H H 32 7.960 7.960 7.522 0.438 25135 12489 1 15 . 1 1 33 33 HIS N N 33 120.500 120.500 122.928 -2.428 25135 12490 1 15 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.263 -0.033 25135 12491 1 15 . 1 1 33 33 HIS C C 33 179.400 179.400 177.740 1.660 25135 12492 1 15 . 1 1 33 33 HIS CA C 33 59.600 59.600 60.516 -0.916 25135 12493 1 15 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.163 0.437 25135 12494 1 15 . 1 1 33 33 HIS H H 33 8.340 8.340 8.110 0.230 25135 12495 1 15 . 1 1 34 34 ARG N N 34 121.900 121.900 118.018 3.882 25135 12496 1 15 . 1 1 34 34 ARG HA H 34 3.870 3.870 4.051 -0.181 25135 12497 1 15 . 1 1 34 34 ARG C C 34 179.600 179.600 178.462 1.138 25135 12498 1 15 . 1 1 34 34 ARG CA C 34 59.500 59.500 57.410 2.090 25135 12499 1 15 . 1 1 34 34 ARG CB C 34 30.100 30.100 28.633 1.467 25135 12500 1 15 . 1 1 34 34 ARG H H 34 8.680 8.680 8.755 -0.075 25135 12501 1 15 . 1 1 35 35 VAL N N 35 118.500 118.500 120.375 -1.875 25135 12502 1 15 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.582 -0.172 25135 12503 1 15 . 1 1 35 35 VAL C C 35 177.600 177.600 178.064 -0.464 25135 12504 1 15 . 1 1 35 35 VAL CA C 35 67.800 67.800 65.949 1.851 25135 12505 1 15 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.098 0.202 25135 12506 1 15 . 1 1 35 35 VAL H H 35 8.500 8.500 7.422 1.078 25135 12507 1 15 . 1 1 36 36 LEU N N 36 118.300 118.300 119.472 -1.172 25135 12508 1 15 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.752 0.148 25135 12509 1 15 . 1 1 36 36 LEU C C 36 179.600 179.600 179.259 0.341 25135 12510 1 15 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.801 0.199 25135 12511 1 15 . 1 1 36 36 LEU CB C 36 41.400 41.400 40.917 0.483 25135 12512 1 15 . 1 1 36 36 LEU H H 36 7.890 7.890 8.643 -0.753 25135 12513 1 15 . 1 1 37 37 GLY N N 37 104.900 104.900 105.058 -0.158 25135 12514 1 15 . 1 1 37 37 GLY C C 37 175.700 175.700 175.284 0.416 25135 12515 1 15 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.795 -0.095 25135 12516 1 15 . 1 1 37 37 GLY H H 37 7.760 7.760 7.714 0.046 25135 12517 1 15 . 1 1 38 38 LEU N N 38 120.500 120.500 119.808 0.692 25135 12518 1 15 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.685 -0.095 25135 12519 1 15 . 1 1 38 38 LEU C C 38 176.900 176.900 178.090 -1.190 25135 12520 1 15 . 1 1 38 38 LEU CA C 38 56.500 56.500 56.240 0.260 25135 12521 1 15 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.255 -0.655 25135 12522 1 15 . 1 1 38 38 LEU H H 38 7.720 7.720 7.420 0.300 25135 12523 1 15 . 1 1 39 39 ILE N N 39 108.700 108.700 116.342 -7.642 25135 12524 1 15 . 1 1 39 39 ILE HA H 39 4.190 4.190 3.982 0.208 25135 12525 1 15 . 1 1 39 39 ILE C C 39 178.100 178.100 177.032 1.068 25135 12526 1 15 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.629 -0.929 25135 12527 1 15 . 1 1 39 39 ILE CB C 39 38.500 38.500 38.104 0.396 25135 12528 1 15 . 1 1 39 39 ILE H H 39 7.540 7.540 7.578 -0.038 25135 12529 1 15 . 1 1 40 40 LYS N N 40 122.800 122.800 122.395 0.405 25135 12530 1 15 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.137 0.293 25135 12531 1 15 . 1 1 40 40 LYS CA C 40 60.700 60.700 59.849 0.851 25135 12532 1 15 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.406 -0.006 25135 12533 1 15 . 1 1 40 40 LYS H H 40 7.600 7.600 8.367 -0.767 25135 12534 1 15 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.322 0.108 25135 12535 1 15 . 1 1 41 41 PRO C C 41 178.700 178.700 179.259 -0.559 25135 12536 1 15 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.372 0.128 25135 12537 1 15 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.219 0.381 25135 12538 1 15 . 1 1 42 42 LEU N N 42 114.400 114.400 119.474 -5.074 25135 12539 1 15 . 1 1 42 42 LEU HA H 42 4.060 4.060 4.002 0.058 25135 12540 1 15 . 1 1 42 42 LEU C C 42 178.800 178.800 179.033 -0.233 25135 12541 1 15 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.706 -0.606 25135 12542 1 15 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.031 -0.730 25135 12543 1 15 . 1 1 42 42 LEU H H 42 7.200 7.200 7.678 -0.478 25135 12544 1 15 . 1 1 43 43 GLU N N 43 119.200 119.200 118.502 0.698 25135 12545 1 15 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.960 -0.040 25135 12546 1 15 . 1 1 43 43 GLU C C 43 179.100 179.100 178.986 0.114 25135 12547 1 15 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.518 -0.018 25135 12548 1 15 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.354 0.746 25135 12549 1 15 . 1 1 43 43 GLU H H 43 8.120 8.120 8.028 0.092 25135 12550 1 15 . 1 1 44 44 MET N N 44 116.500 116.500 115.697 0.803 25135 12551 1 15 . 1 1 44 44 MET HA H 44 4.310 4.310 4.308 0.002 25135 12552 1 15 . 1 1 44 44 MET C C 44 177.900 177.900 177.801 0.099 25135 12553 1 15 . 1 1 44 44 MET CA C 44 57.600 57.600 57.508 0.092 25135 12554 1 15 . 1 1 44 44 MET CB C 44 32.500 32.500 32.893 -0.393 25135 12555 1 15 . 1 1 44 44 MET H H 44 7.600 7.600 7.647 -0.047 25135 12556 1 15 . 1 1 45 45 LEU N N 45 119.900 119.900 119.222 0.678 25135 12557 1 15 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.231 -0.081 25135 12558 1 15 . 1 1 45 45 LEU C C 45 178.000 178.000 178.297 -0.297 25135 12559 1 15 . 1 1 45 45 LEU CA C 45 56.600 56.600 58.124 -1.524 25135 12560 1 15 . 1 1 45 45 LEU CB C 45 42.000 42.000 42.668 -0.668 25135 12561 1 15 . 1 1 45 45 LEU H H 45 7.620 7.620 7.934 -0.314 25135 12562 1 15 . 1 1 46 46 GLN N N 46 118.300 118.300 117.723 0.577 25135 12563 1 15 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.177 -0.157 25135 12564 1 15 . 1 1 46 46 GLN C C 46 176.500 176.500 178.032 -1.532 25135 12565 1 15 . 1 1 46 46 GLN CA C 46 57.700 57.700 57.823 -0.123 25135 12566 1 15 . 1 1 46 46 GLN CB C 46 29.500 29.500 28.131 1.369 25135 12567 1 15 . 1 1 46 46 GLN H H 46 7.950 7.950 8.544 -0.594 25135 12568 1 15 . 1 1 47 47 ASP N N 47 119.000 119.000 119.822 -0.822 25135 12569 1 15 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.374 0.196 25135 12570 1 15 . 1 1 47 47 ASP C C 47 176.900 176.900 178.814 -1.914 25135 12571 1 15 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.665 -1.365 25135 12572 1 15 . 1 1 47 47 ASP CB C 47 41.300 41.300 40.818 0.482 25135 12573 1 15 . 1 1 47 47 ASP H H 47 7.890 7.890 7.701 0.189 25135 12574 1 15 . 1 1 48 48 GLN N N 48 119.500 119.500 116.823 2.677 25135 12575 1 15 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.103 0.127 25135 12576 1 15 . 1 1 48 48 GLN C C 48 177.200 177.200 176.949 0.251 25135 12577 1 15 . 1 1 48 48 GLN CA C 48 56.700 56.700 57.295 -0.595 25135 12578 1 15 . 1 1 48 48 GLN CB C 48 29.300 29.300 29.334 -0.034 25135 12579 1 15 . 1 1 48 48 GLN H H 48 8.080 8.080 7.690 0.390 25135 12580 1 15 . 1 1 49 49 GLY N N 49 108.100 108.100 105.925 2.175 25135 12581 1 15 . 1 1 49 49 GLY C C 49 174.300 174.300 174.897 -0.597 25135 12582 1 15 . 1 1 49 49 GLY CA C 49 46.000 46.000 45.492 0.508 25135 12583 1 15 . 1 1 49 49 GLY H H 49 8.270 8.270 7.617 0.653 25135 12584 1 15 . 1 1 50 50 LYS N N 50 120.200 120.200 119.402 0.798 25135 12585 1 15 . 1 1 50 50 LYS HA H 50 4.320 4.320 4.090 0.230 25135 12586 1 15 . 1 1 50 50 LYS C C 50 176.400 176.400 176.784 -0.384 25135 12587 1 15 . 1 1 50 50 LYS CA C 50 56.500 56.500 58.089 -1.589 25135 12588 1 15 . 1 1 50 50 LYS CB C 50 32.900 32.900 33.168 -0.268 25135 12589 1 15 . 1 1 50 50 LYS H H 50 8.130 8.130 8.120 0.010 25135 12590 1 15 . 1 1 51 51 ARG N N 51 121.300 121.300 114.771 6.529 25135 12591 1 15 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.449 0.011 25135 12592 1 15 . 1 1 51 51 ARG C C 51 176.100 176.100 173.391 2.709 25135 12593 1 15 . 1 1 51 51 ARG CA C 51 56.000 56.000 56.026 -0.026 25135 12594 1 15 . 1 1 51 51 ARG CB C 51 31.200 31.200 31.755 -0.555 25135 12595 1 15 . 1 1 51 51 ARG H H 51 8.260 8.260 7.598 0.662 25135 12596 1 15 . 1 1 52 52 SER N N 52 116.900 116.900 114.950 1.950 25135 12597 1 15 . 1 1 52 52 SER HA H 52 4.550 4.550 4.948 -0.398 25135 12598 1 15 . 1 1 52 52 SER C C 52 173.900 173.900 173.577 0.323 25135 12599 1 15 . 1 1 52 52 SER CA C 52 57.800 57.800 58.361 -0.561 25135 12600 1 15 . 1 1 52 52 SER CB C 52 64.300 64.300 64.602 -0.302 25135 12601 1 15 . 1 1 52 52 SER H H 52 8.150 8.150 8.617 -0.467 25135 12602 1 15 . 1 1 53 53 VAL N N 53 124.300 124.300 124.597 -0.297 25135 12603 1 15 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.534 -0.244 25135 12604 1 15 . 1 1 53 53 VAL CA C 53 60.400 60.400 58.529 1.871 25135 12605 1 15 . 1 1 53 53 VAL CB C 53 32.500 32.500 33.202 -0.702 25135 12606 1 15 . 1 1 53 53 VAL H H 53 8.420 8.420 8.374 0.046 25135 12607 1 15 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.449 0.041 25135 12608 1 15 . 1 1 54 54 PRO C C 54 176.600 176.600 175.927 0.673 25135 12609 1 15 . 1 1 54 54 PRO CA C 54 62.500 62.500 63.269 -0.769 25135 12610 1 15 . 1 1 54 54 PRO CB C 54 32.600 32.600 30.987 1.613 25135 12611 1 15 . 1 1 55 55 SER N N 55 119.500 119.500 120.026 -0.526 25135 12612 1 15 . 1 1 55 55 SER HA H 55 4.370 4.370 4.566 -0.196 25135 12613 1 15 . 1 1 55 55 SER C C 55 175.500 175.500 175.787 -0.287 25135 12614 1 15 . 1 1 55 55 SER CA C 55 58.200 58.200 57.087 1.113 25135 12615 1 15 . 1 1 55 55 SER CB C 55 64.200 64.200 64.956 -0.756 25135 12616 1 15 . 1 1 55 55 SER H H 55 8.970 8.970 8.100 0.870 25135 12617 1 15 . 1 1 56 56 GLU N N 56 123.000 123.000 125.067 -2.067 25135 12618 1 15 . 1 1 56 56 GLU HA H 56 4.140 4.140 4.001 0.139 25135 12619 1 15 . 1 1 56 56 GLU C C 56 179.300 179.300 178.333 0.967 25135 12620 1 15 . 1 1 56 56 GLU CA C 56 59.700 59.700 59.980 -0.280 25135 12621 1 15 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.512 -0.312 25135 12622 1 15 . 1 1 56 56 GLU H H 56 9.030 9.030 9.030 0.000 25135 12623 1 15 . 1 1 57 57 LYS N N 57 118.900 118.900 117.991 0.909 25135 12624 1 15 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.036 -0.036 25135 12625 1 15 . 1 1 57 57 LYS C C 57 179.400 179.400 178.419 0.981 25135 12626 1 15 . 1 1 57 57 LYS CA C 57 59.600 59.600 59.289 0.311 25135 12627 1 15 . 1 1 57 57 LYS CB C 57 32.700 32.700 32.361 0.339 25135 12628 1 15 . 1 1 57 57 LYS H H 57 8.150 8.150 8.121 0.029 25135 12629 1 15 . 1 1 58 58 LEU N N 58 122.800 122.800 120.576 2.224 25135 12630 1 15 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.070 0.030 25135 12631 1 15 . 1 1 58 58 LEU C C 58 178.200 178.200 178.224 -0.024 25135 12632 1 15 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.240 0.059 25135 12633 1 15 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.554 -1.054 25135 12634 1 15 . 1 1 58 58 LEU H H 58 8.420 8.420 7.968 0.452 25135 12635 1 15 . 1 1 59 59 THR N N 59 117.800 117.800 113.399 4.401 25135 12636 1 15 . 1 1 59 59 THR HA H 59 3.730 3.730 3.996 -0.266 25135 12637 1 15 . 1 1 59 59 THR C C 59 176.800 176.800 176.539 0.261 25135 12638 1 15 . 1 1 59 59 THR CA C 59 67.500 67.500 66.718 0.782 25135 12639 1 15 . 1 1 59 59 THR CB C 59 68.400 68.400 68.417 -0.017 25135 12640 1 15 . 1 1 59 59 THR H H 59 8.600 8.600 8.492 0.108 25135 12641 1 15 . 1 1 60 60 THR N N 60 118.300 118.300 117.572 0.728 25135 12642 1 15 . 1 1 60 60 THR HA H 60 3.980 3.980 4.011 -0.031 25135 12643 1 15 . 1 1 60 60 THR C C 60 176.400 176.400 175.822 0.578 25135 12644 1 15 . 1 1 60 60 THR CA C 60 66.900 66.900 66.806 0.094 25135 12645 1 15 . 1 1 60 60 THR CB C 60 68.400 68.400 68.668 -0.268 25135 12646 1 15 . 1 1 60 60 THR H H 60 8.390 8.390 7.694 0.696 25135 12647 1 15 . 1 1 61 61 ALA N N 61 124.900 124.900 124.885 0.015 25135 12648 1 15 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.116 0.004 25135 12649 1 15 . 1 1 61 61 ALA C C 61 180.000 180.000 179.595 0.405 25135 12650 1 15 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.332 0.468 25135 12651 1 15 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.403 0.397 25135 12652 1 15 . 1 1 61 61 ALA H H 61 8.090 8.090 7.874 0.216 25135 12653 1 15 . 1 1 62 62 MET N N 62 118.300 118.300 117.170 1.130 25135 12654 1 15 . 1 1 62 62 MET HA H 62 4.110 4.110 4.278 -0.168 25135 12655 1 15 . 1 1 62 62 MET C C 62 178.300 178.300 178.802 -0.502 25135 12656 1 15 . 1 1 62 62 MET CA C 62 59.600 59.600 59.631 -0.031 25135 12657 1 15 . 1 1 62 62 MET CB C 62 32.500 32.500 32.210 0.290 25135 12658 1 15 . 1 1 62 62 MET H H 62 8.820 8.820 8.680 0.140 25135 12659 1 15 . 1 1 63 63 ASN N N 63 119.500 119.500 119.124 0.376 25135 12660 1 15 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.538 0.042 25135 12661 1 15 . 1 1 63 63 ASN C C 63 179.000 179.000 177.570 1.430 25135 12662 1 15 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.606 -0.306 25135 12663 1 15 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.512 -0.812 25135 12664 1 15 . 1 1 63 63 ASN H H 63 8.320 8.320 8.611 -0.291 25135 12665 1 15 . 1 1 64 64 ARG N N 64 122.500 122.500 118.963 3.537 25135 12666 1 15 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.079 0.111 25135 12667 1 15 . 1 1 64 64 ARG C C 64 179.300 179.300 178.696 0.604 25135 12668 1 15 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.295 0.405 25135 12669 1 15 . 1 1 64 64 ARG CB C 64 30.700 30.700 29.661 1.039 25135 12670 1 15 . 1 1 64 64 ARG H H 64 8.560 8.560 8.462 0.098 25135 12671 1 15 . 1 1 65 65 PHE N N 65 123.100 123.100 123.356 -0.256 25135 12672 1 15 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.386 0.084 25135 12673 1 15 . 1 1 65 65 PHE C C 65 176.400 176.400 176.974 -0.574 25135 12674 1 15 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.110 1.490 25135 12675 1 15 . 1 1 65 65 PHE CB C 65 39.400 39.400 39.199 0.201 25135 12676 1 15 . 1 1 65 65 PHE H H 65 8.560 8.560 8.784 -0.224 25135 12677 1 15 . 1 1 66 66 LYS N N 66 119.800 119.800 119.866 -0.066 25135 12678 1 15 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.751 -0.131 25135 12679 1 15 . 1 1 66 66 LYS C C 66 177.600 177.600 178.825 -1.225 25135 12680 1 15 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.624 1.076 25135 12681 1 15 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.281 0.219 25135 12682 1 15 . 1 1 66 66 LYS H H 66 8.610 8.610 8.689 -0.079 25135 12683 1 15 . 1 1 67 67 ALA N N 67 119.000 119.000 121.455 -2.455 25135 12684 1 15 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.044 0.186 25135 12685 1 15 . 1 1 67 67 ALA C C 67 180.400 180.400 179.005 1.395 25135 12686 1 15 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.758 0.242 25135 12687 1 15 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.590 -0.591 25135 12688 1 15 . 1 1 67 67 ALA H H 67 8.000 8.000 8.485 -0.485 25135 12689 1 15 . 1 1 68 68 ALA N N 68 122.200 122.200 122.034 0.166 25135 12690 1 15 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.065 0.125 25135 12691 1 15 . 1 1 68 68 ALA C C 68 179.800 179.800 179.698 0.102 25135 12692 1 15 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.764 0.436 25135 12693 1 15 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.437 -0.637 25135 12694 1 15 . 1 1 68 68 ALA H H 68 7.950 7.950 8.226 -0.276 25135 12695 1 15 . 1 1 69 69 LEU N N 69 118.900 118.900 119.385 -0.485 25135 12696 1 15 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.830 0.020 25135 12697 1 15 . 1 1 69 69 LEU C C 69 179.200 179.200 178.887 0.313 25135 12698 1 15 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.240 -0.740 25135 12699 1 15 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.593 -0.193 25135 12700 1 15 . 1 1 69 69 LEU H H 69 8.020 8.020 8.294 -0.274 25135 12701 1 15 . 1 1 70 70 GLU N N 70 120.500 120.500 118.863 1.637 25135 12702 1 15 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.813 0.127 25135 12703 1 15 . 1 1 70 70 GLU C C 70 180.500 180.500 179.258 1.242 25135 12704 1 15 . 1 1 70 70 GLU CA C 70 59.900 59.900 59.772 0.129 25135 12705 1 15 . 1 1 70 70 GLU CB C 70 29.200 29.200 29.146 0.054 25135 12706 1 15 . 1 1 70 70 GLU H H 70 8.590 8.590 7.798 0.792 25135 12707 1 15 . 1 1 71 71 GLU N N 71 122.200 122.200 118.855 3.345 25135 12708 1 15 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.065 0.005 25135 12709 1 15 . 1 1 71 71 GLU C C 71 179.600 179.600 178.725 0.875 25135 12710 1 15 . 1 1 71 71 GLU CA C 71 59.400 59.400 59.589 -0.188 25135 12711 1 15 . 1 1 71 71 GLU CB C 71 29.400 29.400 29.042 0.358 25135 12712 1 15 . 1 1 71 71 GLU H H 71 8.300 8.300 7.703 0.597 25135 12713 1 15 . 1 1 72 72 ALA N N 72 122.800 122.800 123.131 -0.331 25135 12714 1 15 . 1 1 72 72 ALA HA H 72 3.890 3.890 4.068 -0.178 25135 12715 1 15 . 1 1 72 72 ALA C C 72 178.500 178.500 179.658 -1.158 25135 12716 1 15 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.218 0.482 25135 12717 1 15 . 1 1 72 72 ALA CB C 72 17.200 17.200 17.806 -0.606 25135 12718 1 15 . 1 1 72 72 ALA H H 72 8.330 8.330 7.695 0.635 25135 12719 1 15 . 1 1 73 73 ASN N N 73 115.700 115.700 117.221 -1.521 25135 12720 1 15 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.310 0.140 25135 12721 1 15 . 1 1 73 73 ASN C C 73 177.600 177.600 177.753 -0.153 25135 12722 1 15 . 1 1 73 73 ASN CA C 73 56.300 56.300 56.608 -0.308 25135 12723 1 15 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.440 0.460 25135 12724 1 15 . 1 1 73 73 ASN H H 73 8.460 8.460 8.762 -0.302 25135 12725 1 15 . 1 1 74 74 GLY N N 74 105.500 105.500 108.597 -3.097 25135 12726 1 15 . 1 1 74 74 GLY C C 74 177.100 177.100 176.357 0.743 25135 12727 1 15 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.926 0.074 25135 12728 1 15 . 1 1 74 74 GLY H H 74 8.070 8.070 8.556 -0.486 25135 12729 1 15 . 1 1 75 75 GLU N N 75 123.500 123.500 122.814 0.686 25135 12730 1 15 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.809 0.301 25135 12731 1 15 . 1 1 75 75 GLU C C 75 178.500 178.500 179.375 -0.875 25135 12732 1 15 . 1 1 75 75 GLU CA C 75 58.700 58.700 59.315 -0.614 25135 12733 1 15 . 1 1 75 75 GLU CB C 75 29.900 29.900 29.588 0.312 25135 12734 1 15 . 1 1 75 75 GLU H H 75 8.110 8.110 8.449 -0.339 25135 12735 1 15 . 1 1 76 76 ILE N N 76 120.300 120.300 118.275 2.025 25135 12736 1 15 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.893 -0.073 25135 12737 1 15 . 1 1 76 76 ILE C C 76 178.300 178.300 177.027 1.273 25135 12738 1 15 . 1 1 76 76 ILE CA C 76 65.500 65.500 64.948 0.551 25135 12739 1 15 . 1 1 76 76 ILE CB C 76 37.900 37.900 38.057 -0.157 25135 12740 1 15 . 1 1 76 76 ILE H H 76 8.330 8.330 8.518 -0.188 25135 12741 1 15 . 1 1 77 77 GLU N N 77 119.400 119.400 118.908 0.492 25135 12742 1 15 . 1 1 77 77 GLU HA H 77 3.920 3.920 4.024 -0.104 25135 12743 1 15 . 1 1 77 77 GLU C C 77 180.200 180.200 179.065 1.135 25135 12744 1 15 . 1 1 77 77 GLU CA C 77 59.700 59.700 58.963 0.737 25135 12745 1 15 . 1 1 77 77 GLU CB C 77 29.300 29.300 29.846 -0.546 25135 12746 1 15 . 1 1 77 77 GLU H H 77 7.860 7.860 7.908 -0.048 25135 12747 1 15 . 1 1 78 78 LYS N N 78 121.600 121.600 119.337 2.263 25135 12748 1 15 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.067 -0.167 25135 12749 1 15 . 1 1 78 78 LYS C C 78 179.200 179.200 178.327 0.873 25135 12750 1 15 . 1 1 78 78 LYS CA C 78 59.900 59.900 57.431 2.469 25135 12751 1 15 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.257 0.043 25135 12752 1 15 . 1 1 78 78 LYS H H 78 7.760 7.760 8.460 -0.700 25135 12753 1 15 . 1 1 79 79 PHE N N 79 115.900 115.900 116.576 -0.676 25135 12754 1 15 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.688 -0.008 25135 12755 1 15 . 1 1 79 79 PHE C C 79 174.100 174.100 175.852 -1.752 25135 12756 1 15 . 1 1 79 79 PHE CA C 79 58.200 58.200 56.541 1.659 25135 12757 1 15 . 1 1 79 79 PHE CB C 79 36.900 36.900 38.259 -1.359 25135 12758 1 15 . 1 1 79 79 PHE H H 79 8.170 8.170 7.474 0.696 25135 12759 1 15 . 1 1 80 80 SER N N 80 113.300 113.300 114.379 -1.079 25135 12760 1 15 . 1 1 80 80 SER HA H 80 4.500 4.500 4.360 0.140 25135 12761 1 15 . 1 1 80 80 SER C C 80 173.700 173.700 174.454 -0.754 25135 12762 1 15 . 1 1 80 80 SER CA C 80 60.500 60.500 60.323 0.177 25135 12763 1 15 . 1 1 80 80 SER CB C 80 63.400 63.400 63.857 -0.457 25135 12764 1 15 . 1 1 80 80 SER H H 80 7.700 7.700 7.579 0.121 25135 12765 1 15 . 1 1 81 81 ASN N N 81 119.500 119.500 118.262 1.238 25135 12766 1 15 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.646 0.324 25135 12767 1 15 . 1 1 81 81 ASN CA C 81 52.100 52.100 52.054 0.046 25135 12768 1 15 . 1 1 81 81 ASN CB C 81 40.300 40.300 40.331 -0.031 25135 12769 1 15 . 1 1 81 81 ASN H H 81 7.290 7.290 7.633 -0.343 25135 12770 1 15 . 1 1 82 82 ARG N N 82 127.400 127.400 123.757 3.643 25135 12771 1 15 . 1 1 82 82 ARG HA H 82 3.590 3.590 3.541 0.049 25135 12772 1 15 . 1 1 82 82 ARG C C 82 177.700 177.700 177.029 0.671 25135 12773 1 15 . 1 1 82 82 ARG CA C 82 59.800 59.800 59.263 0.537 25135 12774 1 15 . 1 1 82 82 ARG CB C 82 30.100 30.100 29.396 0.704 25135 12775 1 15 . 1 1 82 82 ARG H H 82 9.050 9.050 8.493 0.557 25135 12776 1 15 . 1 1 83 83 SER N N 83 114.600 114.600 115.827 -1.227 25135 12777 1 15 . 1 1 83 83 SER HA H 83 3.930 3.930 4.123 -0.193 25135 12778 1 15 . 1 1 83 83 SER C C 83 177.100 177.100 176.690 0.410 25135 12779 1 15 . 1 1 83 83 SER CA C 83 62.200 62.200 61.558 0.642 25135 12780 1 15 . 1 1 83 83 SER CB C 83 62.000 62.000 62.351 -0.351 25135 12781 1 15 . 1 1 83 83 SER H H 83 8.390 8.390 8.448 -0.058 25135 12782 1 15 . 1 1 84 84 ASN N N 84 119.700 119.700 119.885 -0.185 25135 12783 1 15 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.672 -0.072 25135 12784 1 15 . 1 1 84 84 ASN C C 84 179.100 179.100 177.429 1.671 25135 12785 1 15 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.693 -0.293 25135 12786 1 15 . 1 1 84 84 ASN CB C 84 37.600 37.600 38.608 -1.008 25135 12787 1 15 . 1 1 84 84 ASN H H 84 7.980 7.980 7.494 0.486 25135 12788 1 15 . 1 1 85 85 ILE N N 85 122.100 122.100 122.171 -0.071 25135 12789 1 15 . 1 1 85 85 ILE HA H 85 3.820 3.820 4.042 -0.222 25135 12790 1 15 . 1 1 85 85 ILE C C 85 176.900 176.900 177.761 -0.861 25135 12791 1 15 . 1 1 85 85 ILE CA C 85 64.700 64.700 65.164 -0.464 25135 12792 1 15 . 1 1 85 85 ILE CB C 85 37.400 37.400 36.966 0.434 25135 12793 1 15 . 1 1 85 85 ILE H H 85 7.760 7.760 8.015 -0.255 25135 12794 1 15 . 1 1 86 86 CYS N N 86 119.200 119.200 116.679 2.521 25135 12795 1 15 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.709 0.231 25135 12796 1 15 . 1 1 86 86 CYS C C 86 177.400 177.400 177.020 0.380 25135 12797 1 15 . 1 1 86 86 CYS CA C 86 63.800 63.800 62.947 0.853 25135 12798 1 15 . 1 1 86 86 CYS CB C 86 26.900 26.900 26.107 0.793 25135 12799 1 15 . 1 1 86 86 CYS H H 86 8.330 8.330 8.613 -0.283 25135 12800 1 15 . 1 1 87 87 ARG N N 87 119.200 119.200 119.947 -0.747 25135 12801 1 15 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.276 -0.256 25135 12802 1 15 . 1 1 87 87 ARG C C 87 178.500 178.500 178.743 -0.243 25135 12803 1 15 . 1 1 87 87 ARG CA C 87 59.500 59.500 58.950 0.550 25135 12804 1 15 . 1 1 87 87 ARG CB C 87 30.300 30.300 30.285 0.014 25135 12805 1 15 . 1 1 87 87 ARG H H 87 7.900 7.900 7.391 0.509 25135 12806 1 15 . 1 1 88 88 PHE N N 88 120.300 120.300 121.635 -1.335 25135 12807 1 15 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.379 -0.159 25135 12808 1 15 . 1 1 88 88 PHE C C 88 177.200 177.200 176.472 0.728 25135 12809 1 15 . 1 1 88 88 PHE CA C 88 61.500 61.500 60.502 0.998 25135 12810 1 15 . 1 1 88 88 PHE CB C 88 39.800 39.800 38.747 1.053 25135 12811 1 15 . 1 1 88 88 PHE H H 88 7.760 7.760 8.845 -1.085 25135 12812 1 15 . 1 1 89 89 LEU N N 89 117.900 117.900 118.546 -0.646 25135 12813 1 15 . 1 1 89 89 LEU HA H 89 3.640 3.640 3.203 0.437 25135 12814 1 15 . 1 1 89 89 LEU C C 89 178.700 178.700 178.568 0.132 25135 12815 1 15 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.133 0.267 25135 12816 1 15 . 1 1 89 89 LEU CB C 89 41.600 41.600 41.095 0.505 25135 12817 1 15 . 1 1 89 89 LEU H H 89 8.590 8.590 7.971 0.619 25135 12818 1 15 . 1 1 90 90 THR N N 90 112.000 112.000 111.265 0.735 25135 12819 1 15 . 1 1 90 90 THR HA H 90 3.980 3.980 4.149 -0.169 25135 12820 1 15 . 1 1 90 90 THR C C 90 174.900 174.900 176.391 -1.491 25135 12821 1 15 . 1 1 90 90 THR CA C 90 65.200 65.200 64.861 0.339 25135 12822 1 15 . 1 1 90 90 THR CB C 90 69.300 69.300 69.401 -0.101 25135 12823 1 15 . 1 1 90 90 THR H H 90 7.690 7.690 7.499 0.191 25135 12824 1 15 . 1 1 91 91 ALA N N 91 122.400 122.400 122.479 -0.079 25135 12825 1 15 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.416 -0.146 25135 12826 1 15 . 1 1 91 91 ALA C C 91 177.500 177.500 176.828 0.672 25135 12827 1 15 . 1 1 91 91 ALA CA C 91 53.000 53.000 52.491 0.509 25135 12828 1 15 . 1 1 91 91 ALA CB C 91 20.000 20.000 20.019 -0.019 25135 12829 1 15 . 1 1 91 91 ALA H H 91 7.220 7.220 7.960 -0.740 25135 12830 1 15 . 1 1 92 92 SER N N 92 112.900 112.900 112.648 0.252 25135 12831 1 15 . 1 1 92 92 SER HA H 92 4.130 4.130 4.223 -0.093 25135 12832 1 15 . 1 1 92 92 SER CA C 92 57.600 57.600 58.381 -0.781 25135 12833 1 15 . 1 1 92 92 SER CB C 92 64.000 64.000 61.136 2.864 25135 12834 1 15 . 1 1 92 92 SER H H 92 7.510 7.510 7.969 -0.459 25135 12835 1 15 . 1 1 93 93 GLN N N 93 125.700 125.700 121.847 3.853 25135 12836 1 15 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.184 0.016 25135 12837 1 15 . 1 1 93 93 GLN C C 93 176.700 176.700 175.745 0.955 25135 12838 1 15 . 1 1 93 93 GLN CA C 93 57.700 57.700 58.607 -0.907 25135 12839 1 15 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.298 -0.298 25135 12840 1 15 . 1 1 93 93 GLN H H 93 8.710 8.710 8.524 0.186 25135 12841 1 15 . 1 1 94 94 ASP N N 94 116.400 116.400 116.291 0.109 25135 12842 1 15 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.869 -0.309 25135 12843 1 15 . 1 1 94 94 ASP CA C 94 54.000 54.000 53.790 0.210 25135 12844 1 15 . 1 1 94 94 ASP CB C 94 41.700 41.700 41.492 0.208 25135 12845 1 15 . 1 1 94 94 ASP H H 94 7.800 7.800 8.666 -0.866 25135 12846 1 15 . 1 1 95 95 LYS N N 95 114.300 114.300 115.564 -1.264 25135 12847 1 15 . 1 1 95 95 LYS H H 95 8.290 8.290 8.765 -0.475 25135 12848 1 15 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.489 -0.169 25135 12849 1 15 . 1 1 96 96 ILE C C 96 177.000 177.000 176.615 0.385 25135 12850 1 15 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.515 1.285 25135 12851 1 15 . 1 1 96 96 ILE CB C 96 38.100 38.100 41.833 -3.733 25135 12852 1 15 . 1 1 97 97 LEU N N 97 131.100 131.100 126.587 4.513 25135 12853 1 15 . 1 1 97 97 LEU HA H 97 3.120 3.120 2.887 0.233 25135 12854 1 15 . 1 1 97 97 LEU C C 97 177.200 177.200 176.543 0.657 25135 12855 1 15 . 1 1 97 97 LEU CA C 97 58.000 58.000 57.602 0.398 25135 12856 1 15 . 1 1 97 97 LEU CB C 97 42.900 42.900 42.052 0.848 25135 12857 1 15 . 1 1 97 97 LEU H H 97 8.620 8.620 9.149 -0.529 25135 12858 1 15 . 1 1 98 98 PHE N N 98 113.600 113.600 109.051 4.549 25135 12859 1 15 . 1 1 98 98 PHE HA H 98 5.100 5.100 5.072 0.028 25135 12860 1 15 . 1 1 98 98 PHE C C 98 175.400 175.400 175.111 0.289 25135 12861 1 15 . 1 1 98 98 PHE CA C 98 55.700 55.700 54.075 1.625 25135 12862 1 15 . 1 1 98 98 PHE CB C 98 37.600 37.600 38.061 -0.461 25135 12863 1 15 . 1 1 98 98 PHE H H 98 8.450 8.450 7.711 0.739 25135 12864 1 15 . 1 1 99 99 LYS N N 99 119.500 119.500 124.241 -4.741 25135 12865 1 15 . 1 1 99 99 LYS HA H 99 3.880 3.880 3.908 -0.028 25135 12866 1 15 . 1 1 99 99 LYS C C 99 178.900 178.900 177.998 0.902 25135 12867 1 15 . 1 1 99 99 LYS CA C 99 61.100 61.100 59.810 1.290 25135 12868 1 15 . 1 1 99 99 LYS CB C 99 33.500 33.500 31.910 1.590 25135 12869 1 15 . 1 1 99 99 LYS H H 99 6.790 6.790 7.203 -0.413 25135 12870 1 15 . 1 1 100 100 ASP N N 100 117.800 117.800 117.343 0.457 25135 12871 1 15 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.447 0.163 25135 12872 1 15 . 1 1 100 100 ASP C C 100 179.000 179.000 178.361 0.639 25135 12873 1 15 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.253 0.547 25135 12874 1 15 . 1 1 100 100 ASP CB C 100 40.400 40.400 40.322 0.078 25135 12875 1 15 . 1 1 100 100 ASP H H 100 8.520 8.520 8.710 -0.190 25135 12876 1 15 . 1 1 101 101 VAL N N 101 122.600 122.600 118.965 3.635 25135 12877 1 15 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.923 -0.063 25135 12878 1 15 . 1 1 101 101 VAL C C 101 177.100 177.100 177.855 -0.755 25135 12879 1 15 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.315 -0.615 25135 12880 1 15 . 1 1 101 101 VAL CB C 101 32.300 32.300 32.145 0.155 25135 12881 1 15 . 1 1 101 101 VAL H H 101 8.210 8.210 7.252 0.958 25135 12882 1 15 . 1 1 102 102 ASN N N 102 121.000 121.000 118.554 2.446 25135 12883 1 15 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.866 -0.306 25135 12884 1 15 . 1 1 102 102 ASN C C 102 178.500 178.500 177.882 0.618 25135 12885 1 15 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.419 -0.219 25135 12886 1 15 . 1 1 102 102 ASN CB C 102 37.900 37.900 37.791 0.109 25135 12887 1 15 . 1 1 102 102 ASN H H 102 9.060 9.060 8.910 0.150 25135 12888 1 15 . 1 1 103 103 ARG N N 103 120.700 120.700 119.096 1.604 25135 12889 1 15 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.305 -0.145 25135 12890 1 15 . 1 1 103 103 ARG C C 103 177.900 177.900 177.887 0.013 25135 12891 1 15 . 1 1 103 103 ARG CA C 103 59.100 59.100 58.181 0.919 25135 12892 1 15 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.487 -0.587 25135 12893 1 15 . 1 1 103 103 ARG H H 103 7.640 7.640 8.385 -0.745 25135 12894 1 15 . 1 1 104 104 LYS N N 104 119.700 119.700 120.907 -1.207 25135 12895 1 15 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.317 -0.127 25135 12896 1 15 . 1 1 104 104 LYS C C 104 179.300 179.300 178.861 0.439 25135 12897 1 15 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.261 0.839 25135 12898 1 15 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.786 -0.286 25135 12899 1 15 . 1 1 104 104 LYS H H 104 7.960 7.960 7.619 0.341 25135 12900 1 15 . 1 1 105 105 LEU N N 105 118.200 118.200 121.011 -2.811 25135 12901 1 15 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.242 -0.202 25135 12902 1 15 . 1 1 105 105 LEU C C 105 178.400 178.400 178.509 -0.109 25135 12903 1 15 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.162 0.338 25135 12904 1 15 . 1 1 105 105 LEU CB C 105 42.500 42.500 41.979 0.521 25135 12905 1 15 . 1 1 105 105 LEU H H 105 8.990 8.990 9.094 -0.104 25135 12906 1 15 . 1 1 106 106 SER N N 106 111.700 111.700 114.214 -2.514 25135 12907 1 15 . 1 1 106 106 SER HA H 106 3.870 3.870 4.451 -0.581 25135 12908 1 15 . 1 1 106 106 SER C C 106 177.500 177.500 176.617 0.883 25135 12909 1 15 . 1 1 106 106 SER CA C 106 61.400 61.400 62.169 -0.768 25135 12910 1 15 . 1 1 106 106 SER CB C 106 62.600 62.600 62.866 -0.266 25135 12911 1 15 . 1 1 106 106 SER H H 106 7.980 7.980 7.826 0.154 25135 12912 1 15 . 1 1 107 107 ASP N N 107 122.000 122.000 122.558 -0.558 25135 12913 1 15 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.316 0.124 25135 12914 1 15 . 1 1 107 107 ASP C C 107 179.700 179.700 178.613 1.087 25135 12915 1 15 . 1 1 107 107 ASP CA C 107 57.900 57.900 58.084 -0.184 25135 12916 1 15 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.774 -0.174 25135 12917 1 15 . 1 1 107 107 ASP H H 107 8.500 8.500 7.707 0.793 25135 12918 1 15 . 1 1 108 108 VAL N N 108 119.200 119.200 119.506 -0.306 25135 12919 1 15 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.669 0.341 25135 12920 1 15 . 1 1 108 108 VAL C C 108 178.400 178.400 177.314 1.086 25135 12921 1 15 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.920 -1.320 25135 12922 1 15 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.569 -0.069 25135 12923 1 15 . 1 1 108 108 VAL H H 108 8.830 8.830 7.655 1.175 25135 12924 1 15 . 1 1 109 109 TRP N N 109 121.900 121.900 121.411 0.489 25135 12925 1 15 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.914 0.356 25135 12926 1 15 . 1 1 109 109 TRP C C 109 178.000 178.000 177.622 0.378 25135 12927 1 15 . 1 1 109 109 TRP CA C 109 60.100 60.100 59.918 0.182 25135 12928 1 15 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.439 0.261 25135 12929 1 15 . 1 1 109 109 TRP H H 109 8.710 8.710 7.834 0.876 25135 12930 1 15 . 1 1 110 110 LYS N N 110 119.500 119.500 118.541 0.959 25135 12931 1 15 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.731 -0.101 25135 12932 1 15 . 1 1 110 110 LYS C C 110 178.000 178.000 179.125 -1.125 25135 12933 1 15 . 1 1 110 110 LYS CA C 110 60.500 60.500 59.769 0.731 25135 12934 1 15 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.079 0.121 25135 12935 1 15 . 1 1 110 110 LYS H H 110 8.010 8.010 7.764 0.246 25135 12936 1 15 . 1 1 111 111 GLU N N 111 116.700 116.700 118.176 -1.476 25135 12937 1 15 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.122 -0.112 25135 12938 1 15 . 1 1 111 111 GLU C C 111 178.400 178.400 178.590 -0.190 25135 12939 1 15 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.127 0.673 25135 12940 1 15 . 1 1 111 111 GLU CB C 111 30.400 30.400 30.079 0.321 25135 12941 1 15 . 1 1 111 111 GLU H H 111 7.000 7.000 7.803 -0.803 25135 12942 1 15 . 1 1 112 112 LEU N N 112 119.000 119.000 121.815 -2.815 25135 12943 1 15 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.136 -0.396 25135 12944 1 15 . 1 1 112 112 LEU C C 112 177.600 177.600 177.737 -0.137 25135 12945 1 15 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.252 0.548 25135 12946 1 15 . 1 1 112 112 LEU CB C 112 42.200 42.200 42.100 0.100 25135 12947 1 15 . 1 1 112 112 LEU H H 112 8.380 8.380 8.287 0.093 25135 12948 1 15 . 1 1 113 113 SER N N 113 113.100 113.100 115.070 -1.970 25135 12949 1 15 . 1 1 113 113 SER HA H 113 3.190 3.190 3.532 -0.342 25135 12950 1 15 . 1 1 113 113 SER C C 113 176.300 176.300 176.062 0.238 25135 12951 1 15 . 1 1 113 113 SER CA C 113 61.600 61.600 61.451 0.149 25135 12952 1 15 . 1 1 113 113 SER CB C 113 61.800 61.800 62.172 -0.373 25135 12953 1 15 . 1 1 113 113 SER H H 113 8.490 8.490 8.047 0.443 25135 12954 1 15 . 1 1 114 114 LEU N N 114 121.500 121.500 121.470 0.030 25135 12955 1 15 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.067 -0.047 25135 12956 1 15 . 1 1 114 114 LEU C C 114 179.100 179.100 177.648 1.452 25135 12957 1 15 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.061 0.939 25135 12958 1 15 . 1 1 114 114 LEU CB C 114 41.800 41.800 40.562 1.238 25135 12959 1 15 . 1 1 114 114 LEU H H 114 6.810 6.810 7.137 -0.327 25135 12960 1 15 . 1 1 115 115 LEU N N 115 118.200 118.200 118.835 -0.635 25135 12961 1 15 . 1 1 115 115 LEU HA H 115 4.060 4.060 4.004 0.056 25135 12962 1 15 . 1 1 115 115 LEU C C 115 179.600 179.600 178.974 0.626 25135 12963 1 15 . 1 1 115 115 LEU CA C 115 57.700 57.700 57.174 0.526 25135 12964 1 15 . 1 1 115 115 LEU CB C 115 43.100 43.100 41.988 1.112 25135 12965 1 15 . 1 1 115 115 LEU H H 115 7.270 7.270 7.182 0.088 25135 12966 1 15 . 1 1 116 116 LEU N N 116 118.700 118.700 120.302 -1.602 25135 12967 1 15 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.803 0.047 25135 12968 1 15 . 1 1 116 116 LEU C C 116 179.300 179.300 179.383 -0.083 25135 12969 1 15 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.207 -0.607 25135 12970 1 15 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.663 -0.263 25135 12971 1 15 . 1 1 116 116 LEU H H 116 8.440 8.440 8.169 0.271 25135 12972 1 15 . 1 1 117 117 GLN N N 117 119.500 119.500 117.062 2.438 25135 12973 1 15 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.201 0.139 25135 12974 1 15 . 1 1 117 117 GLN C C 117 178.200 178.200 178.546 -0.346 25135 12975 1 15 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.864 -0.064 25135 12976 1 15 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.668 0.132 25135 12977 1 15 . 1 1 117 117 GLN H H 117 8.030 8.030 8.124 -0.094 25135 12978 1 15 . 1 1 118 118 VAL N N 118 117.600 117.600 118.792 -1.192 25135 12979 1 15 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.841 -0.001 25135 12980 1 15 . 1 1 118 118 VAL C C 118 177.900 177.900 177.335 0.565 25135 12981 1 15 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.088 0.312 25135 12982 1 15 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.752 1.148 25135 12983 1 15 . 1 1 118 118 VAL H H 118 8.110 8.110 7.845 0.265 25135 12984 1 15 . 1 1 119 119 GLU N N 119 116.900 116.900 117.726 -0.826 25135 12985 1 15 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.114 0.196 25135 12986 1 15 . 1 1 119 119 GLU C C 119 177.700 177.700 178.280 -0.580 25135 12987 1 15 . 1 1 119 119 GLU CA C 119 58.400 58.400 58.545 -0.145 25135 12988 1 15 . 1 1 119 119 GLU CB C 119 30.700 30.700 30.089 0.611 25135 12989 1 15 . 1 1 119 119 GLU H H 119 8.620 8.620 8.242 0.378 25135 12990 1 15 . 1 1 120 120 GLN N N 120 113.300 113.300 117.108 -3.808 25135 12991 1 15 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.217 0.233 25135 12992 1 15 . 1 1 120 120 GLN C C 120 174.700 174.700 176.784 -2.084 25135 12993 1 15 . 1 1 120 120 GLN CA C 120 54.500 54.500 56.256 -1.756 25135 12994 1 15 . 1 1 120 120 GLN CB C 120 28.600 28.600 29.225 -0.625 25135 12995 1 15 . 1 1 120 120 GLN H H 120 7.350 7.350 8.082 -0.732 25135 12996 1 15 . 1 1 121 121 ARG N N 121 114.800 114.800 115.338 -0.538 25135 12997 1 15 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.171 -0.051 25135 12998 1 15 . 1 1 121 121 ARG C C 121 175.600 175.600 175.722 -0.122 25135 12999 1 15 . 1 1 121 121 ARG CA C 121 56.600 56.600 57.137 -0.537 25135 13000 1 15 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.899 -0.199 25135 13001 1 15 . 1 1 121 121 ARG H H 121 7.410 7.410 7.984 -0.574 25135 13002 1 15 . 1 1 122 122 MET N N 122 120.300 120.300 117.508 2.792 25135 13003 1 15 . 1 1 122 122 MET HA H 122 4.600 4.600 4.859 -0.259 25135 13004 1 15 . 1 1 122 122 MET CA C 122 53.700 53.700 53.627 0.073 25135 13005 1 15 . 1 1 122 122 MET CB C 122 34.700 34.700 32.891 1.809 25135 13006 1 15 . 1 1 122 122 MET H H 122 7.760 7.760 7.550 0.210 25135 13007 1 15 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.607 -0.127 25135 13008 1 15 . 1 1 123 123 PRO C C 123 176.300 176.300 175.654 0.646 25135 13009 1 15 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.401 -0.601 25135 13010 1 15 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.589 -0.289 25135 13011 1 15 . 1 1 124 124 VAL N N 124 120.000 120.000 122.654 -2.654 25135 13012 1 15 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.442 -0.362 25135 13013 1 15 . 1 1 124 124 VAL C C 124 175.800 175.800 175.031 0.769 25135 13014 1 15 . 1 1 124 124 VAL CA C 124 61.700 61.700 60.657 1.043 25135 13015 1 15 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.381 -1.281 25135 13016 1 15 . 1 1 124 124 VAL H H 124 8.080 8.080 8.277 -0.197 25135 13017 1 15 . 1 1 125 125 SER N N 125 121.200 121.200 118.874 2.326 25135 13018 1 15 . 1 1 125 125 SER HA H 125 4.800 4.800 4.921 -0.121 25135 13019 1 15 . 1 1 125 125 SER CA C 125 56.200 56.200 55.739 0.461 25135 13020 1 15 . 1 1 125 125 SER CB C 125 63.700 63.700 63.852 -0.152 25135 13021 1 15 . 1 1 125 125 SER H H 125 8.380 8.380 8.228 0.152 25135 13022 1 15 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.392 0.088 25135 13023 1 15 . 1 1 126 126 PRO C C 126 177.100 177.100 176.958 0.142 25135 13024 1 15 . 1 1 126 126 PRO CA C 126 63.400 63.400 64.066 -0.666 25135 13025 1 15 . 1 1 126 126 PRO CB C 126 31.900 31.900 30.093 1.807 25135 13026 1 15 . 1 1 127 127 ILE N N 127 119.900 119.900 120.630 -0.730 25135 13027 1 15 . 1 1 127 127 ILE HA H 127 4.140 4.140 3.948 0.192 25135 13028 1 15 . 1 1 127 127 ILE C C 127 176.300 176.300 176.761 -0.461 25135 13029 1 15 . 1 1 127 127 ILE CA C 127 61.300 61.300 64.202 -2.902 25135 13030 1 15 . 1 1 127 127 ILE CB C 127 38.800 38.800 36.948 1.852 25135 13031 1 15 . 1 1 127 127 ILE H H 127 8.050 8.050 8.993 -0.943 25135 13032 1 15 . 1 1 128 128 SER N N 128 119.000 119.000 113.730 5.270 25135 13033 1 15 . 1 1 128 128 SER HA H 128 4.400 4.400 4.142 0.258 25135 13034 1 15 . 1 1 128 128 SER C C 128 174.600 174.600 173.401 1.199 25135 13035 1 15 . 1 1 128 128 SER CA C 128 58.300 58.300 58.974 -0.673 25135 13036 1 15 . 1 1 128 128 SER CB C 128 63.600 63.600 62.365 1.235 25135 13037 1 15 . 1 1 128 128 SER H H 128 8.230 8.230 8.630 -0.400 25135 13038 1 15 . 1 1 129 129 GLN N N 129 122.600 122.600 116.671 5.929 25135 13039 1 15 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.607 -0.377 25135 13040 1 15 . 1 1 129 129 GLN C C 129 176.200 176.200 175.781 0.419 25135 13041 1 15 . 1 1 129 129 GLN CA C 129 56.300 56.300 55.011 1.289 25135 13042 1 15 . 1 1 129 129 GLN CB C 129 29.100 29.100 29.874 -0.774 25135 13043 1 15 . 1 1 129 129 GLN H H 129 8.340 8.340 8.137 0.203 25135 13044 1 15 . 1 1 130 130 GLY N N 130 109.200 109.200 108.527 0.673 25135 13045 1 15 . 1 1 130 130 GLY C C 130 175.100 175.100 174.415 0.685 25135 13046 1 15 . 1 1 130 130 GLY CA C 130 45.200 45.200 45.503 -0.303 25135 13047 1 15 . 1 1 130 130 GLY H H 130 8.150 8.150 8.400 -0.250 25135 13048 1 15 . 1 1 131 131 ALA N N 131 124.700 124.700 125.482 -0.782 25135 13049 1 15 . 1 1 131 131 ALA HA H 131 4.230 4.230 3.134 1.096 25135 13050 1 15 . 1 1 131 131 ALA C C 131 178.700 178.700 177.368 1.332 25135 13051 1 15 . 1 1 131 131 ALA CA C 131 53.800 53.800 51.815 1.986 25135 13052 1 15 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.192 0.708 25135 13053 1 15 . 1 1 131 131 ALA H H 131 8.070 8.070 8.386 -0.316 25135 13054 1 15 . 1 1 132 132 SER N N 132 113.200 113.200 115.037 -1.837 25135 13055 1 15 . 1 1 132 132 SER HA H 132 4.580 4.580 4.490 0.090 25135 13056 1 15 . 1 1 132 132 SER C C 132 175.700 175.700 175.697 0.003 25135 13057 1 15 . 1 1 132 132 SER CA C 132 58.500 58.500 58.639 -0.139 25135 13058 1 15 . 1 1 132 132 SER CB C 132 63.800 63.800 62.521 1.279 25135 13059 1 15 . 1 1 132 132 SER H H 132 8.340 8.340 8.143 0.197 25135 13060 1 15 . 1 1 133 133 TRP N N 133 122.800 122.800 122.744 0.056 25135 13061 1 15 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.277 0.253 25135 13062 1 15 . 1 1 133 133 TRP C C 133 178.200 178.200 177.595 0.605 25135 13063 1 15 . 1 1 133 133 TRP CA C 133 58.900 58.900 60.238 -1.338 25135 13064 1 15 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.728 1.472 25135 13065 1 15 . 1 1 133 133 TRP H H 133 8.380 8.380 7.311 1.069 25135 13066 1 15 . 1 1 134 134 ALA N N 134 120.600 120.600 119.986 0.614 25135 13067 1 15 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.897 0.353 25135 13068 1 15 . 1 1 134 134 ALA C C 134 180.700 180.700 180.221 0.479 25135 13069 1 15 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.108 0.592 25135 13070 1 15 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.963 0.037 25135 13071 1 15 . 1 1 134 134 ALA H H 134 8.420 8.420 8.659 -0.239 25135 13072 1 15 . 1 1 135 135 GLN N N 135 118.900 118.900 118.281 0.619 25135 13073 1 15 . 1 1 135 135 GLN HA H 135 4.100 4.100 4.324 -0.224 25135 13074 1 15 . 1 1 135 135 GLN C C 135 179.200 179.200 179.206 -0.006 25135 13075 1 15 . 1 1 135 135 GLN CA C 135 59.000 59.000 58.620 0.380 25135 13076 1 15 . 1 1 135 135 GLN CB C 135 28.500 28.500 28.449 0.051 25135 13077 1 15 . 1 1 135 135 GLN H H 135 7.860 7.860 8.187 -0.327 25135 13078 1 15 . 1 1 136 136 GLU N N 136 120.900 120.900 119.261 1.639 25135 13079 1 15 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.148 -0.328 25135 13080 1 15 . 1 1 136 136 GLU C C 136 177.800 177.800 178.891 -1.091 25135 13081 1 15 . 1 1 136 136 GLU CA C 136 59.000 59.000 59.407 -0.408 25135 13082 1 15 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.702 0.298 25135 13083 1 15 . 1 1 136 136 GLU H H 136 7.720 7.720 7.784 -0.064 25135 13084 1 15 . 1 1 137 137 ASP N N 137 118.200 118.200 120.835 -2.635 25135 13085 1 15 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.448 0.012 25135 13086 1 15 . 1 1 137 137 ASP C C 137 178.100 178.100 178.536 -0.436 25135 13087 1 15 . 1 1 137 137 ASP CA C 137 57.200 57.200 57.405 -0.205 25135 13088 1 15 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.882 -0.782 25135 13089 1 15 . 1 1 137 137 ASP H H 137 8.800 8.800 8.714 0.086 25135 13090 1 15 . 1 1 138 138 GLN N N 138 116.900 116.900 118.247 -1.347 25135 13091 1 15 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.025 -0.145 25135 13092 1 15 . 1 1 138 138 GLN C C 138 178.400 178.400 178.493 -0.093 25135 13093 1 15 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.716 0.184 25135 13094 1 15 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.267 0.433 25135 13095 1 15 . 1 1 138 138 GLN H H 138 7.510 7.510 8.118 -0.608 25135 13096 1 15 . 1 1 139 139 GLN N N 139 119.500 119.500 120.248 -0.748 25135 13097 1 15 . 1 1 139 139 GLN HA H 139 4.110 4.110 4.012 0.098 25135 13098 1 15 . 1 1 139 139 GLN C C 139 178.900 178.900 178.819 0.081 25135 13099 1 15 . 1 1 139 139 GLN CA C 139 58.900 58.900 58.920 -0.020 25135 13100 1 15 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.615 -0.015 25135 13101 1 15 . 1 1 139 139 GLN H H 139 7.520 7.520 7.760 -0.240 25135 13102 1 15 . 1 1 140 140 ASP N N 140 121.700 121.700 118.436 3.264 25135 13103 1 15 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.584 -0.564 25135 13104 1 15 . 1 1 140 140 ASP C C 140 177.700 177.700 177.837 -0.137 25135 13105 1 15 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.361 0.939 25135 13106 1 15 . 1 1 140 140 ASP CB C 140 40.700 40.700 40.755 -0.056 25135 13107 1 15 . 1 1 140 140 ASP H H 140 9.130 9.130 7.980 1.150 25135 13108 1 15 . 1 1 141 141 ALA N N 141 121.000 121.000 124.313 -3.313 25135 13109 1 15 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.117 0.133 25135 13110 1 15 . 1 1 141 141 ALA C C 141 180.800 180.800 178.785 2.015 25135 13111 1 15 . 1 1 141 141 ALA CA C 141 55.400 55.400 55.161 0.239 25135 13112 1 15 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.558 0.942 25135 13113 1 15 . 1 1 141 141 ALA H H 141 8.720 8.720 8.222 0.498 25135 13114 1 15 . 1 1 142 142 ASP N N 142 119.100 119.100 118.165 0.935 25135 13115 1 15 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.338 0.092 25135 13116 1 15 . 1 1 142 142 ASP C C 142 178.600 178.600 178.694 -0.094 25135 13117 1 15 . 1 1 142 142 ASP CA C 142 57.600 57.600 57.913 -0.314 25135 13118 1 15 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.746 0.554 25135 13119 1 15 . 1 1 142 142 ASP H H 142 7.850 7.850 8.707 -0.857 25135 13120 1 15 . 1 1 143 143 GLU N N 143 119.500 119.500 118.163 1.337 25135 13121 1 15 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.186 -0.156 25135 13122 1 15 . 1 1 143 143 GLU C C 143 180.100 180.100 178.723 1.377 25135 13123 1 15 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.488 1.212 25135 13124 1 15 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.833 -0.233 25135 13125 1 15 . 1 1 143 143 GLU H H 143 7.860 7.860 7.687 0.173 25135 13126 1 15 . 1 1 144 144 ASP N N 144 121.000 121.000 120.823 0.177 25135 13127 1 15 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.400 0.250 25135 13128 1 15 . 1 1 144 144 ASP C C 144 179.500 179.500 178.582 0.918 25135 13129 1 15 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.522 -0.022 25135 13130 1 15 . 1 1 144 144 ASP CB C 144 41.100 41.100 40.714 0.386 25135 13131 1 15 . 1 1 144 144 ASP H H 144 8.840 8.840 8.124 0.716 25135 13132 1 15 . 1 1 145 145 ARG N N 145 121.400 121.400 117.409 3.991 25135 13133 1 15 . 1 1 145 145 ARG HA H 145 4.130 4.130 4.223 -0.093 25135 13134 1 15 . 1 1 145 145 ARG C C 145 178.700 178.700 178.825 -0.125 25135 13135 1 15 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.421 0.079 25135 13136 1 15 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.886 -0.286 25135 13137 1 15 . 1 1 145 145 ARG H H 145 8.510 8.510 8.279 0.231 25135 13138 1 15 . 1 1 146 146 ARG N N 146 119.400 119.400 120.569 -1.169 25135 13139 1 15 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.194 -0.084 25135 13140 1 15 . 1 1 146 146 ARG C C 146 178.400 178.400 177.926 0.474 25135 13141 1 15 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.032 1.368 25135 13142 1 15 . 1 1 146 146 ARG CB C 146 30.200 30.200 29.333 0.867 25135 13143 1 15 . 1 1 146 146 ARG H H 146 7.680 7.680 7.776 -0.096 25135 13144 1 15 . 1 1 147 147 ALA N N 147 120.300 120.300 122.700 -2.400 25135 13145 1 15 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.155 0.155 25135 13146 1 15 . 1 1 147 147 ALA C C 147 179.500 179.500 179.199 0.301 25135 13147 1 15 . 1 1 147 147 ALA CA C 147 54.100 54.100 54.937 -0.837 25135 13148 1 15 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.757 0.343 25135 13149 1 15 . 1 1 147 147 ALA H H 147 7.840 7.840 7.981 -0.141 25135 13150 1 15 . 1 1 148 148 PHE N N 148 119.900 119.900 116.701 3.199 25135 13151 1 15 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.608 -0.218 25135 13152 1 15 . 1 1 148 148 PHE C C 148 176.900 176.900 177.239 -0.339 25135 13153 1 15 . 1 1 148 148 PHE CA C 148 60.500 60.500 57.232 3.268 25135 13154 1 15 . 1 1 148 148 PHE CB C 148 39.700 39.700 38.311 1.389 25135 13155 1 15 . 1 1 148 148 PHE H H 148 8.210 8.210 8.127 0.083 25135 13156 1 15 . 1 1 149 149 GLN N N 149 118.500 118.500 120.092 -1.592 25135 13157 1 15 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.400 0.730 25135 13158 1 15 . 1 1 149 149 GLN C C 149 176.400 176.400 176.880 -0.480 25135 13159 1 15 . 1 1 149 149 GLN CA C 149 56.900 56.900 58.209 -1.309 25135 13160 1 15 . 1 1 149 149 GLN CB C 149 28.900 28.900 29.060 -0.160 25135 13161 1 15 . 1 1 149 149 GLN H H 149 7.960 7.960 7.692 0.268 25135 13162 1 15 . 1 1 150 150 MET N N 150 118.000 118.000 111.265 6.735 25135 13163 1 15 . 1 1 150 150 MET HA H 150 4.360 4.360 4.662 -0.302 25135 13164 1 15 . 1 1 150 150 MET C C 150 176.300 176.300 175.022 1.278 25135 13165 1 15 . 1 1 150 150 MET CA C 150 56.000 56.000 55.352 0.648 25135 13166 1 15 . 1 1 150 150 MET CB C 150 32.800 32.800 34.007 -1.207 25135 13167 1 15 . 1 1 150 150 MET H H 150 7.760 7.760 7.608 0.152 25135 13168 1 15 . 1 1 151 151 LEU N N 151 121.200 121.200 121.256 -0.056 25135 13169 1 15 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.444 -0.174 25135 13170 1 15 . 1 1 151 151 LEU C C 151 177.100 177.100 176.826 0.274 25135 13171 1 15 . 1 1 151 151 LEU CA C 151 55.400 55.400 54.485 0.915 25135 13172 1 15 . 1 1 151 151 LEU CB C 151 42.300 42.300 42.096 0.203 25135 13173 1 15 . 1 1 151 151 LEU H H 151 7.690 7.690 8.117 -0.427 25135 13174 1 15 . 1 1 152 152 ARG N N 152 121.800 121.800 118.085 3.715 25135 13175 1 15 . 1 1 152 152 ARG HA H 152 4.240 4.240 3.823 0.417 25135 13176 1 15 . 1 1 152 152 ARG C C 152 176.000 176.000 176.517 -0.517 25135 13177 1 15 . 1 1 152 152 ARG CA C 152 56.200 56.200 59.323 -3.123 25135 13178 1 15 . 1 1 152 152 ARG CB C 152 30.900 30.900 29.111 1.788 25135 13179 1 15 . 1 1 152 152 ARG H H 152 8.120 8.120 8.430 -0.310 25135 13180 1 15 . 1 1 153 153 ARG N N 153 123.100 123.100 120.199 2.901 25135 13181 1 15 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.484 -0.124 25135 13182 1 15 . 1 1 153 153 ARG C C 153 174.900 174.900 175.213 -0.313 25135 13183 1 15 . 1 1 153 153 ARG CA C 153 56.000 56.000 55.126 0.874 25135 13184 1 15 . 1 1 153 153 ARG CB C 153 31.000 31.000 31.181 -0.181 25135 13185 1 15 . 1 1 153 153 ARG H H 153 8.380 8.380 8.164 0.216 25135 13186 1 16 . 1 1 2 2 GLU N N 2 120.000 120.000 120.382 -0.382 25135 13187 1 16 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.046 -0.066 25135 13188 1 16 . 1 1 2 2 GLU C C 2 178.400 178.400 177.714 0.686 25135 13189 1 16 . 1 1 2 2 GLU CA C 2 59.400 59.400 59.378 0.022 25135 13190 1 16 . 1 1 2 2 GLU CB C 2 29.200 29.200 29.329 -0.129 25135 13191 1 16 . 1 1 2 2 GLU H H 2 8.140 8.140 8.914 -0.774 25135 13192 1 16 . 1 1 3 3 ASN N N 3 117.300 117.300 115.182 2.118 25135 13193 1 16 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.649 -0.009 25135 13194 1 16 . 1 1 3 3 ASN C C 3 177.900 177.900 176.668 1.232 25135 13195 1 16 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.904 0.896 25135 13196 1 16 . 1 1 3 3 ASN CB C 3 39.000 39.000 38.130 0.870 25135 13197 1 16 . 1 1 3 3 ASN H H 3 7.960 7.960 8.634 -0.674 25135 13198 1 16 . 1 1 4 4 LEU N N 4 119.700 119.700 122.470 -2.770 25135 13199 1 16 . 1 1 4 4 LEU HA H 4 4.030 4.030 4.011 0.019 25135 13200 1 16 . 1 1 4 4 LEU C C 4 177.900 177.900 178.384 -0.484 25135 13201 1 16 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.682 -0.282 25135 13202 1 16 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.806 0.194 25135 13203 1 16 . 1 1 4 4 LEU H H 4 8.450 8.450 8.129 0.321 25135 13204 1 16 . 1 1 5 5 LYS N N 5 118.200 118.200 115.654 2.546 25135 13205 1 16 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.088 -0.148 25135 13206 1 16 . 1 1 5 5 LYS C C 5 179.200 179.200 179.075 0.125 25135 13207 1 16 . 1 1 5 5 LYS CA C 5 60.000 60.000 58.207 1.793 25135 13208 1 16 . 1 1 5 5 LYS CB C 5 31.900 31.900 31.639 0.261 25135 13209 1 16 . 1 1 5 5 LYS H H 5 7.940 7.940 7.806 0.134 25135 13210 1 16 . 1 1 6 6 HIS N N 6 118.400 118.400 119.759 -1.359 25135 13211 1 16 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.487 -0.067 25135 13212 1 16 . 1 1 6 6 HIS C C 6 178.200 178.200 177.685 0.515 25135 13213 1 16 . 1 1 6 6 HIS CA C 6 59.100 59.100 59.373 -0.273 25135 13214 1 16 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.374 0.526 25135 13215 1 16 . 1 1 6 6 HIS H H 6 7.710 7.710 7.733 -0.023 25135 13216 1 16 . 1 1 7 7 ILE N N 7 120.300 120.300 121.428 -1.128 25135 13217 1 16 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.491 -0.051 25135 13218 1 16 . 1 1 7 7 ILE C C 7 176.500 176.500 177.455 -0.955 25135 13219 1 16 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.762 0.238 25135 13220 1 16 . 1 1 7 7 ILE CB C 7 38.700 38.700 38.062 0.638 25135 13221 1 16 . 1 1 7 7 ILE H H 7 7.950 7.950 8.437 -0.487 25135 13222 1 16 . 1 1 8 8 ILE N N 8 120.200 120.200 119.340 0.860 25135 13223 1 16 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.480 0.100 25135 13224 1 16 . 1 1 8 8 ILE C C 8 178.000 178.000 178.039 -0.039 25135 13225 1 16 . 1 1 8 8 ILE CA C 8 65.800 65.800 65.794 0.006 25135 13226 1 16 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.571 1.029 25135 13227 1 16 . 1 1 8 8 ILE H H 8 8.450 8.450 8.898 -0.448 25135 13228 1 16 . 1 1 9 9 THR N N 9 115.400 115.400 114.272 1.128 25135 13229 1 16 . 1 1 9 9 THR HA H 9 3.880 3.880 3.953 -0.073 25135 13230 1 16 . 1 1 9 9 THR C C 9 176.300 176.300 176.382 -0.082 25135 13231 1 16 . 1 1 9 9 THR CA C 9 66.900 66.900 66.135 0.765 25135 13232 1 16 . 1 1 9 9 THR CB C 9 68.800 68.800 68.798 0.002 25135 13233 1 16 . 1 1 9 9 THR H H 9 8.120 8.120 7.486 0.634 25135 13234 1 16 . 1 1 10 10 LEU N N 10 122.100 122.100 121.349 0.751 25135 13235 1 16 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.127 -0.077 25135 13236 1 16 . 1 1 10 10 LEU C C 10 178.800 178.800 178.306 0.494 25135 13237 1 16 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.756 1.144 25135 13238 1 16 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.221 1.079 25135 13239 1 16 . 1 1 10 10 LEU H H 10 7.950 7.950 7.537 0.413 25135 13240 1 16 . 1 1 11 11 GLY N N 11 105.800 105.800 105.108 0.692 25135 13241 1 16 . 1 1 11 11 GLY C C 11 174.700 174.700 175.926 -1.226 25135 13242 1 16 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.022 0.478 25135 13243 1 16 . 1 1 11 11 GLY H H 11 8.660 8.660 8.509 0.151 25135 13244 1 16 . 1 1 12 12 GLN N N 12 119.600 119.600 119.529 0.071 25135 13245 1 16 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.383 -0.393 25135 13246 1 16 . 1 1 12 12 GLN C C 12 179.600 179.600 178.588 1.012 25135 13247 1 16 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.348 1.952 25135 13248 1 16 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.605 -0.706 25135 13249 1 16 . 1 1 12 12 GLN H H 12 8.050 8.050 7.533 0.517 25135 13250 1 16 . 1 1 13 13 VAL N N 13 122.600 122.600 122.100 0.500 25135 13251 1 16 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.654 0.016 25135 13252 1 16 . 1 1 13 13 VAL C C 13 178.500 178.500 177.819 0.681 25135 13253 1 16 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.637 0.063 25135 13254 1 16 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.408 0.492 25135 13255 1 16 . 1 1 13 13 VAL H H 13 8.300 8.300 7.855 0.445 25135 13256 1 16 . 1 1 14 14 ILE N N 14 121.000 121.000 118.851 2.149 25135 13257 1 16 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.523 -0.053 25135 13258 1 16 . 1 1 14 14 ILE C C 14 177.700 177.700 177.111 0.589 25135 13259 1 16 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.461 0.339 25135 13260 1 16 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.702 0.698 25135 13261 1 16 . 1 1 14 14 ILE H H 14 8.480 8.480 8.417 0.063 25135 13262 1 16 . 1 1 15 15 HIS N N 15 118.900 118.900 118.181 0.719 25135 13263 1 16 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.400 -0.500 25135 13264 1 16 . 1 1 15 15 HIS C C 15 176.200 176.200 177.092 -0.892 25135 13265 1 16 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.043 2.257 25135 13266 1 16 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.100 -0.100 25135 13267 1 16 . 1 1 15 15 HIS H H 15 8.250 8.250 7.563 0.687 25135 13268 1 16 . 1 1 16 16 LYS N N 16 118.500 118.500 120.352 -1.852 25135 13269 1 16 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.748 -0.078 25135 13270 1 16 . 1 1 16 16 LYS C C 16 179.200 179.200 178.937 0.263 25135 13271 1 16 . 1 1 16 16 LYS CA C 16 59.500 59.500 58.833 0.667 25135 13272 1 16 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.138 0.362 25135 13273 1 16 . 1 1 16 16 LYS H H 16 7.820 7.820 8.254 -0.434 25135 13274 1 16 . 1 1 17 17 ARG N N 17 117.600 117.600 119.155 -1.555 25135 13275 1 16 . 1 1 17 17 ARG HA H 17 3.960 3.960 4.205 -0.245 25135 13276 1 16 . 1 1 17 17 ARG C C 17 180.600 180.600 178.551 2.049 25135 13277 1 16 . 1 1 17 17 ARG CA C 17 59.200 59.200 59.160 0.040 25135 13278 1 16 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.253 0.246 25135 13279 1 16 . 1 1 17 17 ARG H H 17 8.330 8.330 8.963 -0.633 25135 13280 1 16 . 1 1 18 18 CYS N N 18 118.100 118.100 116.068 2.032 25135 13281 1 16 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.327 -0.437 25135 13282 1 16 . 1 1 18 18 CYS C C 18 177.300 177.300 177.309 -0.009 25135 13283 1 16 . 1 1 18 18 CYS CA C 18 65.900 65.900 60.825 5.075 25135 13284 1 16 . 1 1 18 18 CYS CB C 18 27.600 27.600 26.700 0.900 25135 13285 1 16 . 1 1 18 18 CYS H H 18 8.550 8.550 7.648 0.902 25135 13286 1 16 . 1 1 19 19 GLU N N 19 117.900 117.900 120.555 -2.655 25135 13287 1 16 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.060 -0.250 25135 13288 1 16 . 1 1 19 19 GLU C C 19 177.100 177.100 177.610 -0.510 25135 13289 1 16 . 1 1 19 19 GLU CA C 19 58.300 58.300 58.818 -0.518 25135 13290 1 16 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.493 0.507 25135 13291 1 16 . 1 1 19 19 GLU H H 19 7.540 7.540 7.876 -0.336 25135 13292 1 16 . 1 1 20 20 GLU N N 20 115.400 115.400 113.893 1.507 25135 13293 1 16 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.247 -0.027 25135 13294 1 16 . 1 1 20 20 GLU C C 20 177.100 177.100 177.059 0.041 25135 13295 1 16 . 1 1 20 20 GLU CA C 20 55.900 55.900 55.995 -0.095 25135 13296 1 16 . 1 1 20 20 GLU CB C 20 30.600 30.600 29.838 0.762 25135 13297 1 16 . 1 1 20 20 GLU H H 20 7.190 7.190 7.566 -0.376 25135 13298 1 16 . 1 1 21 21 MET N N 21 120.500 120.500 119.980 0.520 25135 13299 1 16 . 1 1 21 21 MET HA H 21 4.260 4.260 4.366 -0.106 25135 13300 1 16 . 1 1 21 21 MET C C 21 177.800 177.800 176.250 1.550 25135 13301 1 16 . 1 1 21 21 MET CA C 21 56.400 56.400 55.861 0.539 25135 13302 1 16 . 1 1 21 21 MET CB C 21 33.300 33.300 32.597 0.703 25135 13303 1 16 . 1 1 21 21 MET H H 21 6.940 6.940 7.330 -0.390 25135 13304 1 16 . 1 1 22 22 LYS N N 22 120.500 120.500 122.345 -1.845 25135 13305 1 16 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.420 -0.470 25135 13306 1 16 . 1 1 22 22 LYS C C 22 175.400 175.400 175.472 -0.072 25135 13307 1 16 . 1 1 22 22 LYS CA C 22 57.000 57.000 55.010 1.990 25135 13308 1 16 . 1 1 22 22 LYS CB C 22 33.600 33.600 33.316 0.284 25135 13309 1 16 . 1 1 22 22 LYS H H 22 8.760 8.760 8.836 -0.076 25135 13310 1 16 . 1 1 23 23 TYR N N 23 115.500 115.500 117.686 -2.186 25135 13311 1 16 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.716 0.194 25135 13312 1 16 . 1 1 23 23 TYR C C 23 173.700 173.700 175.543 -1.843 25135 13313 1 16 . 1 1 23 23 TYR CA C 23 55.000 55.000 57.889 -2.889 25135 13314 1 16 . 1 1 23 23 TYR CB C 23 41.900 41.900 41.294 0.606 25135 13315 1 16 . 1 1 23 23 TYR H H 23 7.260 7.260 7.766 -0.506 25135 13316 1 16 . 1 1 24 24 CYS N N 24 113.600 113.600 118.855 -5.255 25135 13317 1 16 . 1 1 24 24 CYS HA H 24 3.700 3.700 4.287 -0.587 25135 13318 1 16 . 1 1 24 24 CYS C C 24 174.700 174.700 176.044 -1.344 25135 13319 1 16 . 1 1 24 24 CYS CA C 24 60.400 60.400 60.015 0.385 25135 13320 1 16 . 1 1 24 24 CYS CB C 24 26.100 26.100 26.596 -0.496 25135 13321 1 16 . 1 1 24 24 CYS H H 24 8.720 8.720 9.334 -0.614 25135 13322 1 16 . 1 1 25 25 LYS N N 25 115.800 115.800 118.894 -3.094 25135 13323 1 16 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.895 -0.315 25135 13324 1 16 . 1 1 25 25 LYS C C 25 179.800 179.800 178.392 1.408 25135 13325 1 16 . 1 1 25 25 LYS CA C 25 60.700 60.700 59.378 1.322 25135 13326 1 16 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.345 0.955 25135 13327 1 16 . 1 1 25 25 LYS H H 25 8.050 8.050 8.610 -0.559 25135 13328 1 16 . 1 1 26 26 LYS N N 26 121.000 121.000 119.151 1.849 25135 13329 1 16 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.967 0.023 25135 13330 1 16 . 1 1 26 26 LYS C C 26 181.300 181.300 179.573 1.727 25135 13331 1 16 . 1 1 26 26 LYS CA C 26 59.000 59.000 59.664 -0.664 25135 13332 1 16 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.986 -1.586 25135 13333 1 16 . 1 1 26 26 LYS H H 26 10.600 10.600 8.356 2.244 25135 13334 1 16 . 1 1 27 27 GLN N N 27 120.500 120.500 118.129 2.371 25135 13335 1 16 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.675 -0.705 25135 13336 1 16 . 1 1 27 27 GLN C C 27 180.200 180.200 178.458 1.742 25135 13337 1 16 . 1 1 27 27 GLN CA C 27 59.300 59.300 59.178 0.122 25135 13338 1 16 . 1 1 27 27 GLN CB C 27 32.100 32.100 29.183 2.917 25135 13339 1 16 . 1 1 27 27 GLN H H 27 9.890 9.890 7.865 2.025 25135 13340 1 16 . 1 1 28 28 CYS N N 28 118.800 118.800 118.805 -0.005 25135 13341 1 16 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.843 0.367 25135 13342 1 16 . 1 1 28 28 CYS C C 28 176.200 176.200 176.660 -0.460 25135 13343 1 16 . 1 1 28 28 CYS CA C 28 64.300 64.300 63.358 0.942 25135 13344 1 16 . 1 1 28 28 CYS CB C 28 26.800 26.800 27.125 -0.325 25135 13345 1 16 . 1 1 28 28 CYS H H 28 8.550 8.550 8.118 0.432 25135 13346 1 16 . 1 1 29 29 ARG N N 29 119.300 119.300 120.036 -0.736 25135 13347 1 16 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.975 -0.105 25135 13348 1 16 . 1 1 29 29 ARG C C 29 178.900 178.900 178.699 0.201 25135 13349 1 16 . 1 1 29 29 ARG CA C 29 59.300 59.300 59.280 0.020 25135 13350 1 16 . 1 1 29 29 ARG CB C 29 29.200 29.200 29.213 -0.013 25135 13351 1 16 . 1 1 29 29 ARG H H 29 8.700 8.700 8.656 0.044 25135 13352 1 16 . 1 1 30 30 ARG N N 30 119.700 119.700 119.190 0.510 25135 13353 1 16 . 1 1 30 30 ARG HA H 30 3.890 3.890 4.134 -0.244 25135 13354 1 16 . 1 1 30 30 ARG C C 30 178.000 178.000 178.488 -0.488 25135 13355 1 16 . 1 1 30 30 ARG CA C 30 58.200 58.200 59.000 -0.800 25135 13356 1 16 . 1 1 30 30 ARG CB C 30 29.100 29.100 30.149 -1.049 25135 13357 1 16 . 1 1 30 30 ARG H H 30 7.810 7.810 7.492 0.318 25135 13358 1 16 . 1 1 31 31 LEU N N 31 120.600 120.600 121.736 -1.136 25135 13359 1 16 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.664 0.376 25135 13360 1 16 . 1 1 31 31 LEU C C 31 178.400 178.400 178.131 0.269 25135 13361 1 16 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.526 0.774 25135 13362 1 16 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.219 -0.019 25135 13363 1 16 . 1 1 31 31 LEU H H 31 7.310 7.310 8.150 -0.840 25135 13364 1 16 . 1 1 32 32 GLY N N 32 105.200 105.200 105.493 -0.293 25135 13365 1 16 . 1 1 32 32 GLY C C 32 175.600 175.600 175.697 -0.097 25135 13366 1 16 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.280 1.120 25135 13367 1 16 . 1 1 32 32 GLY H H 32 7.960 7.960 8.387 -0.427 25135 13368 1 16 . 1 1 33 33 HIS N N 33 120.500 120.500 122.479 -1.979 25135 13369 1 16 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.238 -0.008 25135 13370 1 16 . 1 1 33 33 HIS C C 33 179.400 179.400 177.885 1.515 25135 13371 1 16 . 1 1 33 33 HIS CA C 33 59.600 59.600 60.419 -0.819 25135 13372 1 16 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.103 0.497 25135 13373 1 16 . 1 1 33 33 HIS H H 33 8.340 8.340 7.985 0.355 25135 13374 1 16 . 1 1 34 34 ARG N N 34 121.900 121.900 118.853 3.047 25135 13375 1 16 . 1 1 34 34 ARG HA H 34 3.870 3.870 3.968 -0.098 25135 13376 1 16 . 1 1 34 34 ARG C C 34 179.600 179.600 178.612 0.988 25135 13377 1 16 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.542 -0.042 25135 13378 1 16 . 1 1 34 34 ARG CB C 34 30.100 30.100 29.758 0.342 25135 13379 1 16 . 1 1 34 34 ARG H H 34 8.680 8.680 8.632 0.048 25135 13380 1 16 . 1 1 35 35 VAL N N 35 118.500 118.500 120.702 -2.202 25135 13381 1 16 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.517 -0.107 25135 13382 1 16 . 1 1 35 35 VAL C C 35 177.600 177.600 177.697 -0.097 25135 13383 1 16 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.363 1.437 25135 13384 1 16 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.392 -0.092 25135 13385 1 16 . 1 1 35 35 VAL H H 35 8.500 8.500 7.881 0.619 25135 13386 1 16 . 1 1 36 36 LEU N N 36 118.300 118.300 119.825 -1.525 25135 13387 1 16 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.695 0.205 25135 13388 1 16 . 1 1 36 36 LEU C C 36 179.600 179.600 179.151 0.449 25135 13389 1 16 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.845 0.155 25135 13390 1 16 . 1 1 36 36 LEU CB C 36 41.400 41.400 41.083 0.318 25135 13391 1 16 . 1 1 36 36 LEU H H 36 7.890 7.890 8.702 -0.812 25135 13392 1 16 . 1 1 37 37 GLY N N 37 104.900 104.900 105.019 -0.119 25135 13393 1 16 . 1 1 37 37 GLY C C 37 175.700 175.700 175.284 0.416 25135 13394 1 16 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.823 -0.123 25135 13395 1 16 . 1 1 37 37 GLY H H 37 7.760 7.760 7.737 0.023 25135 13396 1 16 . 1 1 38 38 LEU N N 38 120.500 120.500 120.078 0.422 25135 13397 1 16 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.749 -0.159 25135 13398 1 16 . 1 1 38 38 LEU C C 38 176.900 176.900 178.037 -1.137 25135 13399 1 16 . 1 1 38 38 LEU CA C 38 56.500 56.500 56.026 0.474 25135 13400 1 16 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.410 -0.810 25135 13401 1 16 . 1 1 38 38 LEU H H 38 7.720 7.720 7.411 0.309 25135 13402 1 16 . 1 1 39 39 ILE N N 39 108.700 108.700 116.313 -7.613 25135 13403 1 16 . 1 1 39 39 ILE HA H 39 4.190 4.190 4.025 0.165 25135 13404 1 16 . 1 1 39 39 ILE C C 39 178.100 178.100 177.099 1.001 25135 13405 1 16 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.486 -0.786 25135 13406 1 16 . 1 1 39 39 ILE CB C 39 38.500 38.500 37.962 0.537 25135 13407 1 16 . 1 1 39 39 ILE H H 39 7.540 7.540 7.563 -0.023 25135 13408 1 16 . 1 1 40 40 LYS N N 40 122.800 122.800 122.063 0.737 25135 13409 1 16 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.138 0.292 25135 13410 1 16 . 1 1 40 40 LYS CA C 40 60.700 60.700 59.729 0.971 25135 13411 1 16 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.356 0.044 25135 13412 1 16 . 1 1 40 40 LYS H H 40 7.600 7.600 8.413 -0.813 25135 13413 1 16 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.327 0.103 25135 13414 1 16 . 1 1 41 41 PRO C C 41 178.700 178.700 178.709 -0.009 25135 13415 1 16 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.487 0.013 25135 13416 1 16 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.362 0.238 25135 13417 1 16 . 1 1 42 42 LEU N N 42 114.400 114.400 118.528 -4.128 25135 13418 1 16 . 1 1 42 42 LEU HA H 42 4.060 4.060 3.995 0.065 25135 13419 1 16 . 1 1 42 42 LEU C C 42 178.800 178.800 179.137 -0.337 25135 13420 1 16 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.717 -0.617 25135 13421 1 16 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.056 -0.756 25135 13422 1 16 . 1 1 42 42 LEU H H 42 7.200 7.200 7.692 -0.492 25135 13423 1 16 . 1 1 43 43 GLU N N 43 119.200 119.200 118.308 0.892 25135 13424 1 16 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.969 -0.049 25135 13425 1 16 . 1 1 43 43 GLU C C 43 179.100 179.100 178.835 0.265 25135 13426 1 16 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.767 -0.267 25135 13427 1 16 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.341 0.759 25135 13428 1 16 . 1 1 43 43 GLU H H 43 8.120 8.120 7.938 0.182 25135 13429 1 16 . 1 1 44 44 MET N N 44 116.500 116.500 115.921 0.579 25135 13430 1 16 . 1 1 44 44 MET HA H 44 4.310 4.310 4.258 0.051 25135 13431 1 16 . 1 1 44 44 MET C C 44 177.900 177.900 177.674 0.226 25135 13432 1 16 . 1 1 44 44 MET CA C 44 57.600 57.600 57.868 -0.268 25135 13433 1 16 . 1 1 44 44 MET CB C 44 32.500 32.500 32.794 -0.294 25135 13434 1 16 . 1 1 44 44 MET H H 44 7.600 7.600 7.583 0.017 25135 13435 1 16 . 1 1 45 45 LEU N N 45 119.900 119.900 118.276 1.624 25135 13436 1 16 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.244 -0.094 25135 13437 1 16 . 1 1 45 45 LEU C C 45 178.000 178.000 178.378 -0.378 25135 13438 1 16 . 1 1 45 45 LEU CA C 45 56.600 56.600 58.023 -1.423 25135 13439 1 16 . 1 1 45 45 LEU CB C 45 42.000 42.000 42.763 -0.763 25135 13440 1 16 . 1 1 45 45 LEU H H 45 7.620 7.620 7.846 -0.226 25135 13441 1 16 . 1 1 46 46 GLN N N 46 118.300 118.300 117.844 0.456 25135 13442 1 16 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.136 -0.116 25135 13443 1 16 . 1 1 46 46 GLN C C 46 176.500 176.500 178.147 -1.647 25135 13444 1 16 . 1 1 46 46 GLN CA C 46 57.700 57.700 58.118 -0.418 25135 13445 1 16 . 1 1 46 46 GLN CB C 46 29.500 29.500 28.068 1.432 25135 13446 1 16 . 1 1 46 46 GLN H H 46 7.950 7.950 8.688 -0.738 25135 13447 1 16 . 1 1 47 47 ASP N N 47 119.000 119.000 120.002 -1.002 25135 13448 1 16 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.354 0.216 25135 13449 1 16 . 1 1 47 47 ASP C C 47 176.900 176.900 178.856 -1.956 25135 13450 1 16 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.988 -1.688 25135 13451 1 16 . 1 1 47 47 ASP CB C 47 41.300 41.300 40.922 0.378 25135 13452 1 16 . 1 1 47 47 ASP H H 47 7.890 7.890 7.678 0.212 25135 13453 1 16 . 1 1 48 48 GLN N N 48 119.500 119.500 116.726 2.774 25135 13454 1 16 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.096 0.134 25135 13455 1 16 . 1 1 48 48 GLN C C 48 177.200 177.200 177.135 0.065 25135 13456 1 16 . 1 1 48 48 GLN CA C 48 56.700 56.700 57.428 -0.728 25135 13457 1 16 . 1 1 48 48 GLN CB C 48 29.300 29.300 29.314 -0.014 25135 13458 1 16 . 1 1 48 48 GLN H H 48 8.080 8.080 7.744 0.336 25135 13459 1 16 . 1 1 49 49 GLY N N 49 108.100 108.100 105.991 2.109 25135 13460 1 16 . 1 1 49 49 GLY C C 49 174.300 174.300 174.835 -0.535 25135 13461 1 16 . 1 1 49 49 GLY CA C 49 46.000 46.000 45.671 0.329 25135 13462 1 16 . 1 1 49 49 GLY H H 49 8.270 8.270 8.037 0.233 25135 13463 1 16 . 1 1 50 50 LYS N N 50 120.200 120.200 118.113 2.087 25135 13464 1 16 . 1 1 50 50 LYS HA H 50 4.320 4.320 4.176 0.144 25135 13465 1 16 . 1 1 50 50 LYS C C 50 176.400 176.400 176.934 -0.534 25135 13466 1 16 . 1 1 50 50 LYS CA C 50 56.500 56.500 57.513 -1.013 25135 13467 1 16 . 1 1 50 50 LYS CB C 50 32.900 32.900 33.495 -0.594 25135 13468 1 16 . 1 1 50 50 LYS H H 50 8.130 8.130 7.912 0.218 25135 13469 1 16 . 1 1 51 51 ARG N N 51 121.300 121.300 117.764 3.536 25135 13470 1 16 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.404 0.056 25135 13471 1 16 . 1 1 51 51 ARG C C 51 176.100 176.100 173.866 2.234 25135 13472 1 16 . 1 1 51 51 ARG CA C 51 56.000 56.000 56.626 -0.626 25135 13473 1 16 . 1 1 51 51 ARG CB C 51 31.200 31.200 32.432 -1.232 25135 13474 1 16 . 1 1 51 51 ARG H H 51 8.260 8.260 7.597 0.663 25135 13475 1 16 . 1 1 52 52 SER N N 52 116.900 116.900 118.916 -2.016 25135 13476 1 16 . 1 1 52 52 SER HA H 52 4.550 4.550 4.766 -0.216 25135 13477 1 16 . 1 1 52 52 SER C C 52 173.900 173.900 173.128 0.772 25135 13478 1 16 . 1 1 52 52 SER CA C 52 57.800 57.800 58.243 -0.443 25135 13479 1 16 . 1 1 52 52 SER CB C 52 64.300 64.300 63.939 0.361 25135 13480 1 16 . 1 1 52 52 SER H H 52 8.150 8.150 8.590 -0.440 25135 13481 1 16 . 1 1 53 53 VAL N N 53 124.300 124.300 126.424 -2.124 25135 13482 1 16 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.394 -0.104 25135 13483 1 16 . 1 1 53 53 VAL CA C 53 60.400 60.400 58.992 1.409 25135 13484 1 16 . 1 1 53 53 VAL CB C 53 32.500 32.500 32.888 -0.388 25135 13485 1 16 . 1 1 53 53 VAL H H 53 8.420 8.420 8.062 0.358 25135 13486 1 16 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.544 -0.054 25135 13487 1 16 . 1 1 54 54 PRO C C 54 176.600 176.600 176.460 0.140 25135 13488 1 16 . 1 1 54 54 PRO CA C 54 62.500 62.500 62.529 -0.029 25135 13489 1 16 . 1 1 54 54 PRO CB C 54 32.600 32.600 29.917 2.683 25135 13490 1 16 . 1 1 55 55 SER N N 55 119.500 119.500 116.686 2.814 25135 13491 1 16 . 1 1 55 55 SER HA H 55 4.370 4.370 4.292 0.078 25135 13492 1 16 . 1 1 55 55 SER C C 55 175.500 175.500 175.873 -0.373 25135 13493 1 16 . 1 1 55 55 SER CA C 55 58.200 58.200 58.325 -0.124 25135 13494 1 16 . 1 1 55 55 SER CB C 55 64.200 64.200 64.777 -0.577 25135 13495 1 16 . 1 1 55 55 SER H H 55 8.970 8.970 8.455 0.515 25135 13496 1 16 . 1 1 56 56 GLU N N 56 123.000 123.000 121.554 1.446 25135 13497 1 16 . 1 1 56 56 GLU HA H 56 4.140 4.140 4.172 -0.032 25135 13498 1 16 . 1 1 56 56 GLU C C 56 179.300 179.300 178.718 0.582 25135 13499 1 16 . 1 1 56 56 GLU CA C 56 59.700 59.700 59.222 0.478 25135 13500 1 16 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.747 -0.547 25135 13501 1 16 . 1 1 56 56 GLU H H 56 9.030 9.030 8.924 0.106 25135 13502 1 16 . 1 1 57 57 LYS N N 57 118.900 118.900 118.864 0.036 25135 13503 1 16 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.099 -0.099 25135 13504 1 16 . 1 1 57 57 LYS C C 57 179.400 179.400 178.340 1.060 25135 13505 1 16 . 1 1 57 57 LYS CA C 57 59.600 59.600 59.016 0.584 25135 13506 1 16 . 1 1 57 57 LYS CB C 57 32.700 32.700 32.082 0.618 25135 13507 1 16 . 1 1 57 57 LYS H H 57 8.150 8.150 7.548 0.602 25135 13508 1 16 . 1 1 58 58 LEU N N 58 122.800 122.800 120.081 2.719 25135 13509 1 16 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.121 -0.021 25135 13510 1 16 . 1 1 58 58 LEU C C 58 178.200 178.200 178.555 -0.355 25135 13511 1 16 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.288 0.012 25135 13512 1 16 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.297 -0.797 25135 13513 1 16 . 1 1 58 58 LEU H H 58 8.420 8.420 7.933 0.487 25135 13514 1 16 . 1 1 59 59 THR N N 59 117.800 117.800 112.876 4.924 25135 13515 1 16 . 1 1 59 59 THR HA H 59 3.730 3.730 4.059 -0.329 25135 13516 1 16 . 1 1 59 59 THR C C 59 176.800 176.800 176.528 0.272 25135 13517 1 16 . 1 1 59 59 THR CA C 59 67.500 67.500 66.676 0.824 25135 13518 1 16 . 1 1 59 59 THR CB C 59 68.400 68.400 68.375 0.025 25135 13519 1 16 . 1 1 59 59 THR H H 59 8.600 8.600 7.850 0.750 25135 13520 1 16 . 1 1 60 60 THR N N 60 118.300 118.300 117.607 0.693 25135 13521 1 16 . 1 1 60 60 THR HA H 60 3.980 3.980 4.005 -0.025 25135 13522 1 16 . 1 1 60 60 THR C C 60 176.400 176.400 175.764 0.636 25135 13523 1 16 . 1 1 60 60 THR CA C 60 66.900 66.900 66.863 0.037 25135 13524 1 16 . 1 1 60 60 THR CB C 60 68.400 68.400 68.565 -0.165 25135 13525 1 16 . 1 1 60 60 THR H H 60 8.390 8.390 7.505 0.885 25135 13526 1 16 . 1 1 61 61 ALA N N 61 124.900 124.900 124.768 0.132 25135 13527 1 16 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.093 0.027 25135 13528 1 16 . 1 1 61 61 ALA C C 61 180.000 180.000 179.515 0.485 25135 13529 1 16 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.284 0.516 25135 13530 1 16 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.422 0.378 25135 13531 1 16 . 1 1 61 61 ALA H H 61 8.090 8.090 7.766 0.324 25135 13532 1 16 . 1 1 62 62 MET N N 62 118.300 118.300 117.031 1.269 25135 13533 1 16 . 1 1 62 62 MET HA H 62 4.110 4.110 4.261 -0.151 25135 13534 1 16 . 1 1 62 62 MET C C 62 178.300 178.300 178.863 -0.563 25135 13535 1 16 . 1 1 62 62 MET CA C 62 59.600 59.600 59.557 0.043 25135 13536 1 16 . 1 1 62 62 MET CB C 62 32.500 32.500 32.148 0.352 25135 13537 1 16 . 1 1 62 62 MET H H 62 8.820 8.820 8.797 0.023 25135 13538 1 16 . 1 1 63 63 ASN N N 63 119.500 119.500 119.058 0.442 25135 13539 1 16 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.542 0.038 25135 13540 1 16 . 1 1 63 63 ASN C C 63 179.000 179.000 177.537 1.463 25135 13541 1 16 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.542 -0.242 25135 13542 1 16 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.625 -0.925 25135 13543 1 16 . 1 1 63 63 ASN H H 63 8.320 8.320 8.591 -0.271 25135 13544 1 16 . 1 1 64 64 ARG N N 64 122.500 122.500 120.335 2.165 25135 13545 1 16 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.161 0.029 25135 13546 1 16 . 1 1 64 64 ARG C C 64 179.300 179.300 179.003 0.297 25135 13547 1 16 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.031 0.669 25135 13548 1 16 . 1 1 64 64 ARG CB C 64 30.700 30.700 29.645 1.055 25135 13549 1 16 . 1 1 64 64 ARG H H 64 8.560 8.560 8.435 0.125 25135 13550 1 16 . 1 1 65 65 PHE N N 65 123.100 123.100 123.514 -0.414 25135 13551 1 16 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.450 0.020 25135 13552 1 16 . 1 1 65 65 PHE C C 65 176.400 176.400 176.859 -0.459 25135 13553 1 16 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.117 1.484 25135 13554 1 16 . 1 1 65 65 PHE CB C 65 39.400 39.400 39.318 0.082 25135 13555 1 16 . 1 1 65 65 PHE H H 65 8.560 8.560 8.874 -0.314 25135 13556 1 16 . 1 1 66 66 LYS N N 66 119.800 119.800 119.937 -0.137 25135 13557 1 16 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.790 -0.170 25135 13558 1 16 . 1 1 66 66 LYS C C 66 177.600 177.600 178.743 -1.143 25135 13559 1 16 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.554 1.146 25135 13560 1 16 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.304 0.196 25135 13561 1 16 . 1 1 66 66 LYS H H 66 8.610 8.610 8.474 0.136 25135 13562 1 16 . 1 1 67 67 ALA N N 67 119.000 119.000 121.825 -2.825 25135 13563 1 16 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.050 0.180 25135 13564 1 16 . 1 1 67 67 ALA C C 67 180.400 180.400 178.938 1.462 25135 13565 1 16 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.761 0.239 25135 13566 1 16 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.593 -0.593 25135 13567 1 16 . 1 1 67 67 ALA H H 67 8.000 8.000 8.333 -0.333 25135 13568 1 16 . 1 1 68 68 ALA N N 68 122.200 122.200 121.970 0.230 25135 13569 1 16 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.044 0.146 25135 13570 1 16 . 1 1 68 68 ALA C C 68 179.800 179.800 179.665 0.135 25135 13571 1 16 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.828 0.372 25135 13572 1 16 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.477 -0.677 25135 13573 1 16 . 1 1 68 68 ALA H H 68 7.950 7.950 8.224 -0.274 25135 13574 1 16 . 1 1 69 69 LEU N N 69 118.900 118.900 118.767 0.133 25135 13575 1 16 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.874 -0.024 25135 13576 1 16 . 1 1 69 69 LEU C C 69 179.200 179.200 178.682 0.518 25135 13577 1 16 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.339 -0.839 25135 13578 1 16 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.419 -0.019 25135 13579 1 16 . 1 1 69 69 LEU H H 69 8.020 8.020 8.166 -0.146 25135 13580 1 16 . 1 1 70 70 GLU N N 70 120.500 120.500 118.101 2.399 25135 13581 1 16 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.827 0.113 25135 13582 1 16 . 1 1 70 70 GLU C C 70 180.500 180.500 179.110 1.390 25135 13583 1 16 . 1 1 70 70 GLU CA C 70 59.900 59.900 60.038 -0.138 25135 13584 1 16 . 1 1 70 70 GLU CB C 70 29.200 29.200 28.874 0.326 25135 13585 1 16 . 1 1 70 70 GLU H H 70 8.590 8.590 8.010 0.580 25135 13586 1 16 . 1 1 71 71 GLU N N 71 122.200 122.200 119.648 2.552 25135 13587 1 16 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.089 -0.019 25135 13588 1 16 . 1 1 71 71 GLU C C 71 179.600 179.600 178.413 1.187 25135 13589 1 16 . 1 1 71 71 GLU CA C 71 59.400 59.400 59.599 -0.199 25135 13590 1 16 . 1 1 71 71 GLU CB C 71 29.400 29.400 28.900 0.500 25135 13591 1 16 . 1 1 71 71 GLU H H 71 8.300 8.300 7.592 0.708 25135 13592 1 16 . 1 1 72 72 ALA N N 72 122.800 122.800 121.670 1.130 25135 13593 1 16 . 1 1 72 72 ALA HA H 72 3.890 3.890 4.046 -0.156 25135 13594 1 16 . 1 1 72 72 ALA C C 72 178.500 178.500 179.726 -1.226 25135 13595 1 16 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.256 0.444 25135 13596 1 16 . 1 1 72 72 ALA CB C 72 17.200 17.200 17.717 -0.517 25135 13597 1 16 . 1 1 72 72 ALA H H 72 8.330 8.330 7.597 0.733 25135 13598 1 16 . 1 1 73 73 ASN N N 73 115.700 115.700 117.348 -1.648 25135 13599 1 16 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.318 0.132 25135 13600 1 16 . 1 1 73 73 ASN C C 73 177.600 177.600 177.756 -0.156 25135 13601 1 16 . 1 1 73 73 ASN CA C 73 56.300 56.300 56.699 -0.399 25135 13602 1 16 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.425 0.475 25135 13603 1 16 . 1 1 73 73 ASN H H 73 8.460 8.460 8.751 -0.291 25135 13604 1 16 . 1 1 74 74 GLY N N 74 105.500 105.500 108.441 -2.941 25135 13605 1 16 . 1 1 74 74 GLY C C 74 177.100 177.100 176.457 0.643 25135 13606 1 16 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.876 0.124 25135 13607 1 16 . 1 1 74 74 GLY H H 74 8.070 8.070 8.585 -0.515 25135 13608 1 16 . 1 1 75 75 GLU N N 75 123.500 123.500 122.671 0.829 25135 13609 1 16 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.918 0.192 25135 13610 1 16 . 1 1 75 75 GLU C C 75 178.500 178.500 179.338 -0.838 25135 13611 1 16 . 1 1 75 75 GLU CA C 75 58.700 58.700 59.254 -0.554 25135 13612 1 16 . 1 1 75 75 GLU CB C 75 29.900 29.900 29.608 0.292 25135 13613 1 16 . 1 1 75 75 GLU H H 75 8.110 8.110 8.472 -0.362 25135 13614 1 16 . 1 1 76 76 ILE N N 76 120.300 120.300 118.859 1.441 25135 13615 1 16 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.871 -0.051 25135 13616 1 16 . 1 1 76 76 ILE C C 76 178.300 178.300 177.100 1.200 25135 13617 1 16 . 1 1 76 76 ILE CA C 76 65.500 65.500 65.301 0.199 25135 13618 1 16 . 1 1 76 76 ILE CB C 76 37.900 37.900 38.158 -0.258 25135 13619 1 16 . 1 1 76 76 ILE H H 76 8.330 8.330 8.627 -0.297 25135 13620 1 16 . 1 1 77 77 GLU N N 77 119.400 119.400 118.198 1.202 25135 13621 1 16 . 1 1 77 77 GLU HA H 77 3.920 3.920 3.938 -0.018 25135 13622 1 16 . 1 1 77 77 GLU C C 77 180.200 180.200 178.283 1.917 25135 13623 1 16 . 1 1 77 77 GLU CA C 77 59.700 59.700 58.657 1.043 25135 13624 1 16 . 1 1 77 77 GLU CB C 77 29.300 29.300 30.093 -0.793 25135 13625 1 16 . 1 1 77 77 GLU H H 77 7.860 7.860 7.819 0.041 25135 13626 1 16 . 1 1 78 78 LYS N N 78 121.600 121.600 118.062 3.538 25135 13627 1 16 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.030 -0.130 25135 13628 1 16 . 1 1 78 78 LYS C C 78 179.200 179.200 178.263 0.937 25135 13629 1 16 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.340 1.560 25135 13630 1 16 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.189 0.111 25135 13631 1 16 . 1 1 78 78 LYS H H 78 7.760 7.760 8.262 -0.502 25135 13632 1 16 . 1 1 79 79 PHE N N 79 115.900 115.900 116.824 -0.924 25135 13633 1 16 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.664 0.016 25135 13634 1 16 . 1 1 79 79 PHE C C 79 174.100 174.100 175.753 -1.653 25135 13635 1 16 . 1 1 79 79 PHE CA C 79 58.200 58.200 56.696 1.504 25135 13636 1 16 . 1 1 79 79 PHE CB C 79 36.900 36.900 38.635 -1.735 25135 13637 1 16 . 1 1 79 79 PHE H H 79 8.170 8.170 7.582 0.588 25135 13638 1 16 . 1 1 80 80 SER N N 80 113.300 113.300 114.571 -1.271 25135 13639 1 16 . 1 1 80 80 SER HA H 80 4.500 4.500 4.319 0.181 25135 13640 1 16 . 1 1 80 80 SER C C 80 173.700 173.700 174.714 -1.014 25135 13641 1 16 . 1 1 80 80 SER CA C 80 60.500 60.500 59.514 0.986 25135 13642 1 16 . 1 1 80 80 SER CB C 80 63.400 63.400 63.891 -0.491 25135 13643 1 16 . 1 1 80 80 SER H H 80 7.700 7.700 7.361 0.339 25135 13644 1 16 . 1 1 81 81 ASN N N 81 119.500 119.500 121.023 -1.523 25135 13645 1 16 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.709 0.261 25135 13646 1 16 . 1 1 81 81 ASN CA C 81 52.100 52.100 52.601 -0.501 25135 13647 1 16 . 1 1 81 81 ASN CB C 81 40.300 40.300 39.487 0.813 25135 13648 1 16 . 1 1 81 81 ASN H H 81 7.290 7.290 7.842 -0.552 25135 13649 1 16 . 1 1 82 82 ARG N N 82 127.400 127.400 126.446 0.954 25135 13650 1 16 . 1 1 82 82 ARG HA H 82 3.590 3.590 3.020 0.570 25135 13651 1 16 . 1 1 82 82 ARG C C 82 177.700 177.700 177.212 0.488 25135 13652 1 16 . 1 1 82 82 ARG CA C 82 59.800 59.800 59.020 0.780 25135 13653 1 16 . 1 1 82 82 ARG CB C 82 30.100 30.100 28.924 1.175 25135 13654 1 16 . 1 1 82 82 ARG H H 82 9.050 9.050 8.626 0.424 25135 13655 1 16 . 1 1 83 83 SER N N 83 114.600 114.600 113.328 1.272 25135 13656 1 16 . 1 1 83 83 SER HA H 83 3.930 3.930 4.190 -0.260 25135 13657 1 16 . 1 1 83 83 SER C C 83 177.100 177.100 175.752 1.348 25135 13658 1 16 . 1 1 83 83 SER CA C 83 62.200 62.200 60.444 1.756 25135 13659 1 16 . 1 1 83 83 SER CB C 83 62.000 62.000 62.913 -0.913 25135 13660 1 16 . 1 1 83 83 SER H H 83 8.390 8.390 8.339 0.051 25135 13661 1 16 . 1 1 84 84 ASN N N 84 119.700 119.700 119.144 0.556 25135 13662 1 16 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.739 -0.139 25135 13663 1 16 . 1 1 84 84 ASN C C 84 179.100 179.100 177.539 1.561 25135 13664 1 16 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.323 0.077 25135 13665 1 16 . 1 1 84 84 ASN CB C 84 37.600 37.600 38.557 -0.957 25135 13666 1 16 . 1 1 84 84 ASN H H 84 7.980 7.980 8.002 -0.022 25135 13667 1 16 . 1 1 85 85 ILE N N 85 122.100 122.100 122.217 -0.117 25135 13668 1 16 . 1 1 85 85 ILE HA H 85 3.820 3.820 4.121 -0.301 25135 13669 1 16 . 1 1 85 85 ILE C C 85 176.900 176.900 177.447 -0.547 25135 13670 1 16 . 1 1 85 85 ILE CA C 85 64.700 64.700 64.614 0.086 25135 13671 1 16 . 1 1 85 85 ILE CB C 85 37.400 37.400 37.224 0.176 25135 13672 1 16 . 1 1 85 85 ILE H H 85 7.760 7.760 7.806 -0.046 25135 13673 1 16 . 1 1 86 86 CYS N N 86 119.200 119.200 116.643 2.557 25135 13674 1 16 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.682 0.258 25135 13675 1 16 . 1 1 86 86 CYS C C 86 177.400 177.400 177.019 0.381 25135 13676 1 16 . 1 1 86 86 CYS CA C 86 63.800 63.800 62.282 1.518 25135 13677 1 16 . 1 1 86 86 CYS CB C 86 26.900 26.900 27.014 -0.114 25135 13678 1 16 . 1 1 86 86 CYS H H 86 8.330 8.330 7.972 0.358 25135 13679 1 16 . 1 1 87 87 ARG N N 87 119.200 119.200 120.618 -1.418 25135 13680 1 16 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.148 -0.128 25135 13681 1 16 . 1 1 87 87 ARG C C 87 178.500 178.500 178.502 -0.002 25135 13682 1 16 . 1 1 87 87 ARG CA C 87 59.500 59.500 59.226 0.274 25135 13683 1 16 . 1 1 87 87 ARG CB C 87 30.300 30.300 30.337 -0.037 25135 13684 1 16 . 1 1 87 87 ARG H H 87 7.900 7.900 7.665 0.235 25135 13685 1 16 . 1 1 88 88 PHE N N 88 120.300 120.300 121.727 -1.427 25135 13686 1 16 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.337 -0.117 25135 13687 1 16 . 1 1 88 88 PHE C C 88 177.200 177.200 176.379 0.821 25135 13688 1 16 . 1 1 88 88 PHE CA C 88 61.500 61.500 60.608 0.892 25135 13689 1 16 . 1 1 88 88 PHE CB C 88 39.800 39.800 38.722 1.078 25135 13690 1 16 . 1 1 88 88 PHE H H 88 7.760 7.760 8.101 -0.341 25135 13691 1 16 . 1 1 89 89 LEU N N 89 117.900 117.900 118.164 -0.264 25135 13692 1 16 . 1 1 89 89 LEU HA H 89 3.640 3.640 3.197 0.443 25135 13693 1 16 . 1 1 89 89 LEU C C 89 178.700 178.700 178.351 0.349 25135 13694 1 16 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.430 -0.030 25135 13695 1 16 . 1 1 89 89 LEU CB C 89 41.600 41.600 41.091 0.509 25135 13696 1 16 . 1 1 89 89 LEU H H 89 8.590 8.590 7.917 0.673 25135 13697 1 16 . 1 1 90 90 THR N N 90 112.000 112.000 112.780 -0.780 25135 13698 1 16 . 1 1 90 90 THR HA H 90 3.980 3.980 3.961 0.019 25135 13699 1 16 . 1 1 90 90 THR C C 90 174.900 174.900 176.286 -1.386 25135 13700 1 16 . 1 1 90 90 THR CA C 90 65.200 65.200 64.794 0.406 25135 13701 1 16 . 1 1 90 90 THR CB C 90 69.300 69.300 69.104 0.196 25135 13702 1 16 . 1 1 90 90 THR H H 90 7.690 7.690 7.351 0.339 25135 13703 1 16 . 1 1 91 91 ALA N N 91 122.400 122.400 122.077 0.323 25135 13704 1 16 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.239 0.031 25135 13705 1 16 . 1 1 91 91 ALA C C 91 177.500 177.500 177.277 0.223 25135 13706 1 16 . 1 1 91 91 ALA CA C 91 53.000 53.000 52.545 0.455 25135 13707 1 16 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.146 0.854 25135 13708 1 16 . 1 1 91 91 ALA H H 91 7.220 7.220 7.778 -0.558 25135 13709 1 16 . 1 1 92 92 SER N N 92 112.900 112.900 113.156 -0.256 25135 13710 1 16 . 1 1 92 92 SER HA H 92 4.130 4.130 4.235 -0.105 25135 13711 1 16 . 1 1 92 92 SER CA C 92 57.600 57.600 58.612 -1.012 25135 13712 1 16 . 1 1 92 92 SER CB C 92 64.000 64.000 62.062 1.938 25135 13713 1 16 . 1 1 92 92 SER H H 92 7.510 7.510 7.721 -0.211 25135 13714 1 16 . 1 1 93 93 GLN N N 93 125.700 125.700 122.431 3.269 25135 13715 1 16 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.147 0.053 25135 13716 1 16 . 1 1 93 93 GLN C C 93 176.700 176.700 176.638 0.062 25135 13717 1 16 . 1 1 93 93 GLN CA C 93 57.700 57.700 58.989 -1.289 25135 13718 1 16 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.307 -0.307 25135 13719 1 16 . 1 1 93 93 GLN H H 93 8.710 8.710 8.230 0.480 25135 13720 1 16 . 1 1 94 94 ASP N N 94 116.400 116.400 115.361 1.039 25135 13721 1 16 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.868 -0.308 25135 13722 1 16 . 1 1 94 94 ASP CA C 94 54.000 54.000 53.795 0.205 25135 13723 1 16 . 1 1 94 94 ASP CB C 94 41.700 41.700 41.268 0.432 25135 13724 1 16 . 1 1 94 94 ASP H H 94 7.800 7.800 8.608 -0.808 25135 13725 1 16 . 1 1 95 95 LYS N N 95 114.300 114.300 114.959 -0.659 25135 13726 1 16 . 1 1 95 95 LYS H H 95 8.290 8.290 8.342 -0.052 25135 13727 1 16 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.480 -0.160 25135 13728 1 16 . 1 1 96 96 ILE C C 96 177.000 177.000 176.629 0.371 25135 13729 1 16 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.812 0.988 25135 13730 1 16 . 1 1 96 96 ILE CB C 96 38.100 38.100 40.286 -2.186 25135 13731 1 16 . 1 1 97 97 LEU N N 97 131.100 131.100 128.280 2.820 25135 13732 1 16 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.050 0.070 25135 13733 1 16 . 1 1 97 97 LEU C C 97 177.200 177.200 176.356 0.844 25135 13734 1 16 . 1 1 97 97 LEU CA C 97 58.000 58.000 57.806 0.194 25135 13735 1 16 . 1 1 97 97 LEU CB C 97 42.900 42.900 41.869 1.031 25135 13736 1 16 . 1 1 97 97 LEU H H 97 8.620 8.620 9.311 -0.691 25135 13737 1 16 . 1 1 98 98 PHE N N 98 113.600 113.600 110.264 3.336 25135 13738 1 16 . 1 1 98 98 PHE HA H 98 5.100 5.100 4.981 0.119 25135 13739 1 16 . 1 1 98 98 PHE C C 98 175.400 175.400 175.133 0.267 25135 13740 1 16 . 1 1 98 98 PHE CA C 98 55.700 55.700 54.384 1.316 25135 13741 1 16 . 1 1 98 98 PHE CB C 98 37.600 37.600 37.477 0.123 25135 13742 1 16 . 1 1 98 98 PHE H H 98 8.450 8.450 7.825 0.625 25135 13743 1 16 . 1 1 99 99 LYS N N 99 119.500 119.500 124.300 -4.800 25135 13744 1 16 . 1 1 99 99 LYS HA H 99 3.880 3.880 3.918 -0.038 25135 13745 1 16 . 1 1 99 99 LYS C C 99 178.900 178.900 177.912 0.988 25135 13746 1 16 . 1 1 99 99 LYS CA C 99 61.100 61.100 60.558 0.542 25135 13747 1 16 . 1 1 99 99 LYS CB C 99 33.500 33.500 32.104 1.396 25135 13748 1 16 . 1 1 99 99 LYS H H 99 6.790 6.790 7.499 -0.709 25135 13749 1 16 . 1 1 100 100 ASP N N 100 117.800 117.800 117.606 0.194 25135 13750 1 16 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.432 0.178 25135 13751 1 16 . 1 1 100 100 ASP C C 100 179.000 179.000 178.582 0.418 25135 13752 1 16 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.187 0.613 25135 13753 1 16 . 1 1 100 100 ASP CB C 100 40.400 40.400 40.666 -0.266 25135 13754 1 16 . 1 1 100 100 ASP H H 100 8.520 8.520 8.644 -0.124 25135 13755 1 16 . 1 1 101 101 VAL N N 101 122.600 122.600 119.599 3.001 25135 13756 1 16 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.891 -0.031 25135 13757 1 16 . 1 1 101 101 VAL C C 101 177.100 177.100 177.735 -0.635 25135 13758 1 16 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.508 -0.808 25135 13759 1 16 . 1 1 101 101 VAL CB C 101 32.300 32.300 32.518 -0.218 25135 13760 1 16 . 1 1 101 101 VAL H H 101 8.210 8.210 7.523 0.687 25135 13761 1 16 . 1 1 102 102 ASN N N 102 121.000 121.000 118.048 2.952 25135 13762 1 16 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.842 -0.282 25135 13763 1 16 . 1 1 102 102 ASN C C 102 178.500 178.500 177.818 0.682 25135 13764 1 16 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.359 -0.159 25135 13765 1 16 . 1 1 102 102 ASN CB C 102 37.900 37.900 37.773 0.127 25135 13766 1 16 . 1 1 102 102 ASN H H 102 9.060 9.060 8.732 0.328 25135 13767 1 16 . 1 1 103 103 ARG N N 103 120.700 120.700 119.027 1.673 25135 13768 1 16 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.246 -0.086 25135 13769 1 16 . 1 1 103 103 ARG C C 103 177.900 177.900 177.821 0.079 25135 13770 1 16 . 1 1 103 103 ARG CA C 103 59.100 59.100 58.654 0.446 25135 13771 1 16 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.365 -0.465 25135 13772 1 16 . 1 1 103 103 ARG H H 103 7.640 7.640 8.484 -0.844 25135 13773 1 16 . 1 1 104 104 LYS N N 104 119.700 119.700 120.729 -1.029 25135 13774 1 16 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.315 -0.125 25135 13775 1 16 . 1 1 104 104 LYS C C 104 179.300 179.300 178.806 0.494 25135 13776 1 16 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.206 0.894 25135 13777 1 16 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.795 -0.295 25135 13778 1 16 . 1 1 104 104 LYS H H 104 7.960 7.960 7.608 0.352 25135 13779 1 16 . 1 1 105 105 LEU N N 105 118.200 118.200 121.051 -2.851 25135 13780 1 16 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.216 -0.176 25135 13781 1 16 . 1 1 105 105 LEU C C 105 178.400 178.400 178.657 -0.257 25135 13782 1 16 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.258 0.242 25135 13783 1 16 . 1 1 105 105 LEU CB C 105 42.500 42.500 41.960 0.540 25135 13784 1 16 . 1 1 105 105 LEU H H 105 8.990 8.990 9.055 -0.065 25135 13785 1 16 . 1 1 106 106 SER N N 106 111.700 111.700 114.105 -2.405 25135 13786 1 16 . 1 1 106 106 SER HA H 106 3.870 3.870 4.439 -0.569 25135 13787 1 16 . 1 1 106 106 SER C C 106 177.500 177.500 176.609 0.891 25135 13788 1 16 . 1 1 106 106 SER CA C 106 61.400 61.400 62.044 -0.643 25135 13789 1 16 . 1 1 106 106 SER CB C 106 62.600 62.600 62.905 -0.305 25135 13790 1 16 . 1 1 106 106 SER H H 106 7.980 7.980 7.817 0.163 25135 13791 1 16 . 1 1 107 107 ASP N N 107 122.000 122.000 122.817 -0.817 25135 13792 1 16 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.305 0.135 25135 13793 1 16 . 1 1 107 107 ASP C C 107 179.700 179.700 178.685 1.015 25135 13794 1 16 . 1 1 107 107 ASP CA C 107 57.900 57.900 58.006 -0.106 25135 13795 1 16 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.628 -0.028 25135 13796 1 16 . 1 1 107 107 ASP H H 107 8.500 8.500 7.726 0.774 25135 13797 1 16 . 1 1 108 108 VAL N N 108 119.200 119.200 119.663 -0.463 25135 13798 1 16 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.740 0.270 25135 13799 1 16 . 1 1 108 108 VAL C C 108 178.400 178.400 177.599 0.801 25135 13800 1 16 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.857 -1.257 25135 13801 1 16 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.800 -0.300 25135 13802 1 16 . 1 1 108 108 VAL H H 108 8.830 8.830 7.776 1.054 25135 13803 1 16 . 1 1 109 109 TRP N N 109 121.900 121.900 121.639 0.261 25135 13804 1 16 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.891 0.379 25135 13805 1 16 . 1 1 109 109 TRP C C 109 178.000 178.000 177.619 0.381 25135 13806 1 16 . 1 1 109 109 TRP CA C 109 60.100 60.100 59.964 0.136 25135 13807 1 16 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.429 0.271 25135 13808 1 16 . 1 1 109 109 TRP H H 109 8.710 8.710 7.874 0.836 25135 13809 1 16 . 1 1 110 110 LYS N N 110 119.500 119.500 118.382 1.118 25135 13810 1 16 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.699 -0.069 25135 13811 1 16 . 1 1 110 110 LYS C C 110 178.000 178.000 179.117 -1.117 25135 13812 1 16 . 1 1 110 110 LYS CA C 110 60.500 60.500 59.762 0.738 25135 13813 1 16 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.071 0.130 25135 13814 1 16 . 1 1 110 110 LYS H H 110 8.010 8.010 7.856 0.154 25135 13815 1 16 . 1 1 111 111 GLU N N 111 116.700 116.700 118.152 -1.452 25135 13816 1 16 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.116 -0.106 25135 13817 1 16 . 1 1 111 111 GLU C C 111 178.400 178.400 178.611 -0.211 25135 13818 1 16 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.162 0.638 25135 13819 1 16 . 1 1 111 111 GLU CB C 111 30.400 30.400 30.022 0.378 25135 13820 1 16 . 1 1 111 111 GLU H H 111 7.000 7.000 7.710 -0.710 25135 13821 1 16 . 1 1 112 112 LEU N N 112 119.000 119.000 121.764 -2.764 25135 13822 1 16 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.135 -0.395 25135 13823 1 16 . 1 1 112 112 LEU C C 112 177.600 177.600 177.818 -0.218 25135 13824 1 16 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.277 0.523 25135 13825 1 16 . 1 1 112 112 LEU CB C 112 42.200 42.200 42.114 0.087 25135 13826 1 16 . 1 1 112 112 LEU H H 112 8.380 8.380 8.268 0.112 25135 13827 1 16 . 1 1 113 113 SER N N 113 113.100 113.100 115.111 -2.011 25135 13828 1 16 . 1 1 113 113 SER HA H 113 3.190 3.190 3.581 -0.391 25135 13829 1 16 . 1 1 113 113 SER C C 113 176.300 176.300 176.082 0.218 25135 13830 1 16 . 1 1 113 113 SER CA C 113 61.600 61.600 61.451 0.149 25135 13831 1 16 . 1 1 113 113 SER CB C 113 61.800 61.800 62.148 -0.347 25135 13832 1 16 . 1 1 113 113 SER H H 113 8.490 8.490 8.062 0.428 25135 13833 1 16 . 1 1 114 114 LEU N N 114 121.500 121.500 121.514 -0.014 25135 13834 1 16 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.049 -0.029 25135 13835 1 16 . 1 1 114 114 LEU C C 114 179.100 179.100 177.756 1.344 25135 13836 1 16 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.178 0.822 25135 13837 1 16 . 1 1 114 114 LEU CB C 114 41.800 41.800 40.490 1.310 25135 13838 1 16 . 1 1 114 114 LEU H H 114 6.810 6.810 7.130 -0.320 25135 13839 1 16 . 1 1 115 115 LEU N N 115 118.200 118.200 118.391 -0.191 25135 13840 1 16 . 1 1 115 115 LEU HA H 115 4.060 4.060 3.975 0.085 25135 13841 1 16 . 1 1 115 115 LEU C C 115 179.600 179.600 179.104 0.496 25135 13842 1 16 . 1 1 115 115 LEU CA C 115 57.700 57.700 56.955 0.746 25135 13843 1 16 . 1 1 115 115 LEU CB C 115 43.100 43.100 41.789 1.311 25135 13844 1 16 . 1 1 115 115 LEU H H 115 7.270 7.270 7.160 0.110 25135 13845 1 16 . 1 1 116 116 LEU N N 116 118.700 118.700 120.544 -1.844 25135 13846 1 16 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.797 0.053 25135 13847 1 16 . 1 1 116 116 LEU C C 116 179.300 179.300 179.025 0.275 25135 13848 1 16 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.195 -0.595 25135 13849 1 16 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.693 -0.293 25135 13850 1 16 . 1 1 116 116 LEU H H 116 8.440 8.440 7.931 0.509 25135 13851 1 16 . 1 1 117 117 GLN N N 117 119.500 119.500 116.679 2.821 25135 13852 1 16 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.215 0.125 25135 13853 1 16 . 1 1 117 117 GLN C C 117 178.200 178.200 178.653 -0.453 25135 13854 1 16 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.918 -0.118 25135 13855 1 16 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.621 0.179 25135 13856 1 16 . 1 1 117 117 GLN H H 117 8.030 8.030 8.153 -0.123 25135 13857 1 16 . 1 1 118 118 VAL N N 118 117.600 117.600 118.907 -1.307 25135 13858 1 16 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.846 -0.006 25135 13859 1 16 . 1 1 118 118 VAL C C 118 177.900 177.900 177.309 0.591 25135 13860 1 16 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.281 0.119 25135 13861 1 16 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.732 1.168 25135 13862 1 16 . 1 1 118 118 VAL H H 118 8.110 8.110 7.573 0.537 25135 13863 1 16 . 1 1 119 119 GLU N N 119 116.900 116.900 117.644 -0.744 25135 13864 1 16 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.175 0.135 25135 13865 1 16 . 1 1 119 119 GLU C C 119 177.700 177.700 178.441 -0.741 25135 13866 1 16 . 1 1 119 119 GLU CA C 119 58.400 58.400 58.313 0.087 25135 13867 1 16 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.834 0.866 25135 13868 1 16 . 1 1 119 119 GLU H H 119 8.620 8.620 8.362 0.258 25135 13869 1 16 . 1 1 120 120 GLN N N 120 113.300 113.300 116.529 -3.229 25135 13870 1 16 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.354 0.096 25135 13871 1 16 . 1 1 120 120 GLN C C 120 174.700 174.700 176.430 -1.730 25135 13872 1 16 . 1 1 120 120 GLN CA C 120 54.500 54.500 56.179 -1.679 25135 13873 1 16 . 1 1 120 120 GLN CB C 120 28.600 28.600 29.724 -1.124 25135 13874 1 16 . 1 1 120 120 GLN H H 120 7.350 7.350 8.033 -0.683 25135 13875 1 16 . 1 1 121 121 ARG N N 121 114.800 114.800 114.856 -0.056 25135 13876 1 16 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.132 -0.012 25135 13877 1 16 . 1 1 121 121 ARG C C 121 175.600 175.600 175.753 -0.153 25135 13878 1 16 . 1 1 121 121 ARG CA C 121 56.600 56.600 57.200 -0.600 25135 13879 1 16 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.078 0.622 25135 13880 1 16 . 1 1 121 121 ARG H H 121 7.410 7.410 8.081 -0.671 25135 13881 1 16 . 1 1 122 122 MET N N 122 120.300 120.300 118.117 2.183 25135 13882 1 16 . 1 1 122 122 MET HA H 122 4.600 4.600 4.850 -0.250 25135 13883 1 16 . 1 1 122 122 MET CA C 122 53.700 53.700 53.514 0.186 25135 13884 1 16 . 1 1 122 122 MET CB C 122 34.700 34.700 32.815 1.885 25135 13885 1 16 . 1 1 122 122 MET H H 122 7.760 7.760 7.486 0.274 25135 13886 1 16 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.611 -0.131 25135 13887 1 16 . 1 1 123 123 PRO C C 123 176.300 176.300 175.577 0.723 25135 13888 1 16 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.413 -0.614 25135 13889 1 16 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.805 -0.505 25135 13890 1 16 . 1 1 124 124 VAL N N 124 120.000 120.000 123.187 -3.187 25135 13891 1 16 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.416 -0.336 25135 13892 1 16 . 1 1 124 124 VAL C C 124 175.800 175.800 175.167 0.633 25135 13893 1 16 . 1 1 124 124 VAL CA C 124 61.700 61.700 60.457 1.243 25135 13894 1 16 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.435 -1.335 25135 13895 1 16 . 1 1 124 124 VAL H H 124 8.080 8.080 8.339 -0.259 25135 13896 1 16 . 1 1 125 125 SER N N 125 121.200 121.200 119.563 1.637 25135 13897 1 16 . 1 1 125 125 SER HA H 125 4.800 4.800 4.886 -0.086 25135 13898 1 16 . 1 1 125 125 SER CA C 125 56.200 56.200 56.485 -0.285 25135 13899 1 16 . 1 1 125 125 SER CB C 125 63.700 63.700 63.431 0.269 25135 13900 1 16 . 1 1 125 125 SER H H 125 8.380 8.380 8.191 0.189 25135 13901 1 16 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.446 0.034 25135 13902 1 16 . 1 1 126 126 PRO C C 126 177.100 177.100 175.901 1.199 25135 13903 1 16 . 1 1 126 126 PRO CA C 126 63.400 63.400 63.089 0.311 25135 13904 1 16 . 1 1 126 126 PRO CB C 126 31.900 31.900 29.513 2.387 25135 13905 1 16 . 1 1 127 127 ILE N N 127 119.900 119.900 119.414 0.486 25135 13906 1 16 . 1 1 127 127 ILE HA H 127 4.140 4.140 4.134 0.006 25135 13907 1 16 . 1 1 127 127 ILE C C 127 176.300 176.300 177.048 -0.748 25135 13908 1 16 . 1 1 127 127 ILE CA C 127 61.300 61.300 61.609 -0.309 25135 13909 1 16 . 1 1 127 127 ILE CB C 127 38.800 38.800 35.595 3.205 25135 13910 1 16 . 1 1 127 127 ILE H H 127 8.050 8.050 8.917 -0.867 25135 13911 1 16 . 1 1 128 128 SER N N 128 119.000 119.000 116.612 2.388 25135 13912 1 16 . 1 1 128 128 SER HA H 128 4.400 4.400 4.108 0.292 25135 13913 1 16 . 1 1 128 128 SER C C 128 174.600 174.600 175.950 -1.350 25135 13914 1 16 . 1 1 128 128 SER CA C 128 58.300 58.300 61.403 -3.103 25135 13915 1 16 . 1 1 128 128 SER CB C 128 63.600 63.600 63.364 0.236 25135 13916 1 16 . 1 1 128 128 SER H H 128 8.230 8.230 8.900 -0.670 25135 13917 1 16 . 1 1 129 129 GLN N N 129 122.600 122.600 118.045 4.555 25135 13918 1 16 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.295 -0.065 25135 13919 1 16 . 1 1 129 129 GLN C C 129 176.200 176.200 176.970 -0.770 25135 13920 1 16 . 1 1 129 129 GLN CA C 129 56.300 56.300 56.745 -0.445 25135 13921 1 16 . 1 1 129 129 GLN CB C 129 29.100 29.100 28.973 0.128 25135 13922 1 16 . 1 1 129 129 GLN H H 129 8.340 8.340 8.143 0.197 25135 13923 1 16 . 1 1 130 130 GLY N N 130 109.200 109.200 106.018 3.182 25135 13924 1 16 . 1 1 130 130 GLY C C 130 175.100 175.100 174.086 1.014 25135 13925 1 16 . 1 1 130 130 GLY CA C 130 45.200 45.200 44.844 0.355 25135 13926 1 16 . 1 1 130 130 GLY H H 130 8.150 8.150 8.386 -0.236 25135 13927 1 16 . 1 1 131 131 ALA N N 131 124.700 124.700 123.698 1.002 25135 13928 1 16 . 1 1 131 131 ALA HA H 131 4.230 4.230 3.015 1.215 25135 13929 1 16 . 1 1 131 131 ALA C C 131 178.700 178.700 176.952 1.748 25135 13930 1 16 . 1 1 131 131 ALA CA C 131 53.800 53.800 52.012 1.788 25135 13931 1 16 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.401 0.499 25135 13932 1 16 . 1 1 131 131 ALA H H 131 8.070 8.070 7.782 0.288 25135 13933 1 16 . 1 1 132 132 SER N N 132 113.200 113.200 113.897 -0.697 25135 13934 1 16 . 1 1 132 132 SER HA H 132 4.580 4.580 4.423 0.157 25135 13935 1 16 . 1 1 132 132 SER C C 132 175.700 175.700 175.761 -0.061 25135 13936 1 16 . 1 1 132 132 SER CA C 132 58.500 58.500 59.004 -0.504 25135 13937 1 16 . 1 1 132 132 SER CB C 132 63.800 63.800 62.479 1.321 25135 13938 1 16 . 1 1 132 132 SER H H 132 8.340 8.340 7.955 0.385 25135 13939 1 16 . 1 1 133 133 TRP N N 133 122.800 122.800 122.879 -0.079 25135 13940 1 16 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.358 0.172 25135 13941 1 16 . 1 1 133 133 TRP C C 133 178.200 178.200 177.941 0.259 25135 13942 1 16 . 1 1 133 133 TRP CA C 133 58.900 58.900 59.782 -0.882 25135 13943 1 16 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.331 1.869 25135 13944 1 16 . 1 1 133 133 TRP H H 133 8.380 8.380 7.132 1.248 25135 13945 1 16 . 1 1 134 134 ALA N N 134 120.600 120.600 119.924 0.676 25135 13946 1 16 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.898 0.352 25135 13947 1 16 . 1 1 134 134 ALA C C 134 180.700 180.700 180.178 0.522 25135 13948 1 16 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.047 0.653 25135 13949 1 16 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.931 0.069 25135 13950 1 16 . 1 1 134 134 ALA H H 134 8.420 8.420 8.561 -0.141 25135 13951 1 16 . 1 1 135 135 GLN N N 135 118.900 118.900 118.042 0.858 25135 13952 1 16 . 1 1 135 135 GLN HA H 135 4.100 4.100 4.051 0.049 25135 13953 1 16 . 1 1 135 135 GLN C C 135 179.200 179.200 178.845 0.355 25135 13954 1 16 . 1 1 135 135 GLN CA C 135 59.000 59.000 59.063 -0.063 25135 13955 1 16 . 1 1 135 135 GLN CB C 135 28.500 28.500 28.620 -0.120 25135 13956 1 16 . 1 1 135 135 GLN H H 135 7.860 7.860 7.902 -0.042 25135 13957 1 16 . 1 1 136 136 GLU N N 136 120.900 120.900 119.646 1.254 25135 13958 1 16 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.141 -0.321 25135 13959 1 16 . 1 1 136 136 GLU C C 136 177.800 177.800 179.064 -1.264 25135 13960 1 16 . 1 1 136 136 GLU CA C 136 59.000 59.000 59.154 -0.154 25135 13961 1 16 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.742 0.258 25135 13962 1 16 . 1 1 136 136 GLU H H 136 7.720 7.720 8.004 -0.284 25135 13963 1 16 . 1 1 137 137 ASP N N 137 118.200 118.200 120.247 -2.047 25135 13964 1 16 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.651 -0.191 25135 13965 1 16 . 1 1 137 137 ASP C C 137 178.100 178.100 178.805 -0.705 25135 13966 1 16 . 1 1 137 137 ASP CA C 137 57.200 57.200 57.480 -0.280 25135 13967 1 16 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.663 -0.564 25135 13968 1 16 . 1 1 137 137 ASP H H 137 8.800 8.800 8.854 -0.054 25135 13969 1 16 . 1 1 138 138 GLN N N 138 116.900 116.900 118.642 -1.742 25135 13970 1 16 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.109 -0.229 25135 13971 1 16 . 1 1 138 138 GLN C C 138 178.400 178.400 178.244 0.156 25135 13972 1 16 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.460 0.440 25135 13973 1 16 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.135 0.565 25135 13974 1 16 . 1 1 138 138 GLN H H 138 7.510 7.510 7.893 -0.383 25135 13975 1 16 . 1 1 139 139 GLN N N 139 119.500 119.500 119.370 0.130 25135 13976 1 16 . 1 1 139 139 GLN HA H 139 4.110 4.110 4.081 0.029 25135 13977 1 16 . 1 1 139 139 GLN C C 139 178.900 178.900 178.775 0.125 25135 13978 1 16 . 1 1 139 139 GLN CA C 139 58.900 58.900 58.695 0.205 25135 13979 1 16 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.313 0.287 25135 13980 1 16 . 1 1 139 139 GLN H H 139 7.520 7.520 7.646 -0.126 25135 13981 1 16 . 1 1 140 140 ASP N N 140 121.700 121.700 119.220 2.480 25135 13982 1 16 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.588 -0.568 25135 13983 1 16 . 1 1 140 140 ASP C C 140 177.700 177.700 178.013 -0.313 25135 13984 1 16 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.669 0.631 25135 13985 1 16 . 1 1 140 140 ASP CB C 140 40.700 40.700 41.381 -0.681 25135 13986 1 16 . 1 1 140 140 ASP H H 140 9.130 9.130 8.207 0.923 25135 13987 1 16 . 1 1 141 141 ALA N N 141 121.000 121.000 124.372 -3.372 25135 13988 1 16 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.157 0.093 25135 13989 1 16 . 1 1 141 141 ALA C C 141 180.800 180.800 178.768 2.032 25135 13990 1 16 . 1 1 141 141 ALA CA C 141 55.400 55.400 55.179 0.221 25135 13991 1 16 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.550 0.950 25135 13992 1 16 . 1 1 141 141 ALA H H 141 8.720 8.720 8.041 0.679 25135 13993 1 16 . 1 1 142 142 ASP N N 142 119.100 119.100 117.640 1.460 25135 13994 1 16 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.312 0.118 25135 13995 1 16 . 1 1 142 142 ASP C C 142 178.600 178.600 178.452 0.148 25135 13996 1 16 . 1 1 142 142 ASP CA C 142 57.600 57.600 57.905 -0.305 25135 13997 1 16 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.738 0.562 25135 13998 1 16 . 1 1 142 142 ASP H H 142 7.850 7.850 8.504 -0.654 25135 13999 1 16 . 1 1 143 143 GLU N N 143 119.500 119.500 118.079 1.421 25135 14000 1 16 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.182 -0.152 25135 14001 1 16 . 1 1 143 143 GLU C C 143 180.100 180.100 178.686 1.414 25135 14002 1 16 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.877 0.823 25135 14003 1 16 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.667 -0.067 25135 14004 1 16 . 1 1 143 143 GLU H H 143 7.860 7.860 7.683 0.177 25135 14005 1 16 . 1 1 144 144 ASP N N 144 121.000 121.000 120.867 0.133 25135 14006 1 16 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.396 0.254 25135 14007 1 16 . 1 1 144 144 ASP C C 144 179.500 179.500 178.376 1.124 25135 14008 1 16 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.488 0.012 25135 14009 1 16 . 1 1 144 144 ASP CB C 144 41.100 41.100 40.958 0.142 25135 14010 1 16 . 1 1 144 144 ASP H H 144 8.840 8.840 8.193 0.647 25135 14011 1 16 . 1 1 145 145 ARG N N 145 121.400 121.400 118.064 3.336 25135 14012 1 16 . 1 1 145 145 ARG HA H 145 4.130 4.130 3.940 0.190 25135 14013 1 16 . 1 1 145 145 ARG C C 145 178.700 178.700 178.842 -0.142 25135 14014 1 16 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.402 0.098 25135 14015 1 16 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.523 0.076 25135 14016 1 16 . 1 1 145 145 ARG H H 145 8.510 8.510 8.101 0.409 25135 14017 1 16 . 1 1 146 146 ARG N N 146 119.400 119.400 119.202 0.198 25135 14018 1 16 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.143 -0.033 25135 14019 1 16 . 1 1 146 146 ARG C C 146 178.400 178.400 178.498 -0.098 25135 14020 1 16 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.568 0.832 25135 14021 1 16 . 1 1 146 146 ARG CB C 146 30.200 30.200 29.765 0.436 25135 14022 1 16 . 1 1 146 146 ARG H H 146 7.680 7.680 7.856 -0.176 25135 14023 1 16 . 1 1 147 147 ALA N N 147 120.300 120.300 123.064 -2.764 25135 14024 1 16 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.091 0.219 25135 14025 1 16 . 1 1 147 147 ALA C C 147 179.500 179.500 179.025 0.475 25135 14026 1 16 . 1 1 147 147 ALA CA C 147 54.100 54.100 54.822 -0.722 25135 14027 1 16 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.317 0.783 25135 14028 1 16 . 1 1 147 147 ALA H H 147 7.840 7.840 8.133 -0.293 25135 14029 1 16 . 1 1 148 148 PHE N N 148 119.900 119.900 116.594 3.306 25135 14030 1 16 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.389 0.001 25135 14031 1 16 . 1 1 148 148 PHE C C 148 176.900 176.900 177.780 -0.880 25135 14032 1 16 . 1 1 148 148 PHE CA C 148 60.500 60.500 60.296 0.204 25135 14033 1 16 . 1 1 148 148 PHE CB C 148 39.700 39.700 38.858 0.842 25135 14034 1 16 . 1 1 148 148 PHE H H 148 8.210 8.210 7.869 0.341 25135 14035 1 16 . 1 1 149 149 GLN N N 149 118.500 118.500 119.759 -1.259 25135 14036 1 16 . 1 1 149 149 GLN HA H 149 4.130 4.130 4.046 0.084 25135 14037 1 16 . 1 1 149 149 GLN C C 149 176.400 176.400 177.356 -0.956 25135 14038 1 16 . 1 1 149 149 GLN CA C 149 56.900 56.900 58.566 -1.666 25135 14039 1 16 . 1 1 149 149 GLN CB C 149 28.900 28.900 29.293 -0.393 25135 14040 1 16 . 1 1 149 149 GLN H H 149 7.960 7.960 8.474 -0.514 25135 14041 1 16 . 1 1 150 150 MET N N 150 118.000 118.000 112.529 5.471 25135 14042 1 16 . 1 1 150 150 MET HA H 150 4.360 4.360 4.685 -0.325 25135 14043 1 16 . 1 1 150 150 MET C C 150 176.300 176.300 176.065 0.235 25135 14044 1 16 . 1 1 150 150 MET CA C 150 56.000 56.000 55.426 0.574 25135 14045 1 16 . 1 1 150 150 MET CB C 150 32.800 32.800 35.642 -2.842 25135 14046 1 16 . 1 1 150 150 MET H H 150 7.760 7.760 7.540 0.220 25135 14047 1 16 . 1 1 151 151 LEU N N 151 121.200 121.200 121.652 -0.452 25135 14048 1 16 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.157 0.114 25135 14049 1 16 . 1 1 151 151 LEU C C 151 177.100 177.100 175.889 1.211 25135 14050 1 16 . 1 1 151 151 LEU CA C 151 55.400 55.400 56.017 -0.617 25135 14051 1 16 . 1 1 151 151 LEU CB C 151 42.300 42.300 40.397 1.903 25135 14052 1 16 . 1 1 151 151 LEU H H 151 7.690 7.690 7.708 -0.018 25135 14053 1 16 . 1 1 152 152 ARG N N 152 121.800 121.800 123.127 -1.327 25135 14054 1 16 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.430 -0.190 25135 14055 1 16 . 1 1 152 152 ARG C C 152 176.000 176.000 175.824 0.176 25135 14056 1 16 . 1 1 152 152 ARG CA C 152 56.200 56.200 56.233 -0.033 25135 14057 1 16 . 1 1 152 152 ARG CB C 152 30.900 30.900 31.313 -0.413 25135 14058 1 16 . 1 1 152 152 ARG H H 152 8.120 8.120 8.540 -0.420 25135 14059 1 16 . 1 1 153 153 ARG N N 153 123.100 123.100 123.379 -0.279 25135 14060 1 16 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.494 -0.134 25135 14061 1 16 . 1 1 153 153 ARG C C 153 174.900 174.900 175.673 -0.773 25135 14062 1 16 . 1 1 153 153 ARG CA C 153 56.000 56.000 55.424 0.576 25135 14063 1 16 . 1 1 153 153 ARG CB C 153 31.000 31.000 29.276 1.724 25135 14064 1 16 . 1 1 153 153 ARG H H 153 8.380 8.380 8.249 0.131 25135 14065 1 17 . 1 1 2 2 GLU N N 2 120.000 120.000 121.129 -1.129 25135 14066 1 17 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.021 -0.041 25135 14067 1 17 . 1 1 2 2 GLU C C 2 178.400 178.400 177.568 0.832 25135 14068 1 17 . 1 1 2 2 GLU CA C 2 59.400 59.400 59.326 0.074 25135 14069 1 17 . 1 1 2 2 GLU CB C 2 29.200 29.200 29.182 0.018 25135 14070 1 17 . 1 1 2 2 GLU H H 2 8.140 8.140 8.883 -0.743 25135 14071 1 17 . 1 1 3 3 ASN N N 3 117.300 117.300 115.071 2.229 25135 14072 1 17 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.683 -0.043 25135 14073 1 17 . 1 1 3 3 ASN C C 3 177.900 177.900 177.029 0.871 25135 14074 1 17 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.794 1.006 25135 14075 1 17 . 1 1 3 3 ASN CB C 3 39.000 39.000 37.963 1.037 25135 14076 1 17 . 1 1 3 3 ASN H H 3 7.960 7.960 8.647 -0.687 25135 14077 1 17 . 1 1 4 4 LEU N N 4 119.700 119.700 122.825 -3.125 25135 14078 1 17 . 1 1 4 4 LEU HA H 4 4.030 4.030 4.001 0.029 25135 14079 1 17 . 1 1 4 4 LEU C C 4 177.900 177.900 178.340 -0.440 25135 14080 1 17 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.616 -0.216 25135 14081 1 17 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.861 0.139 25135 14082 1 17 . 1 1 4 4 LEU H H 4 8.450 8.450 7.899 0.551 25135 14083 1 17 . 1 1 5 5 LYS N N 5 118.200 118.200 116.723 1.477 25135 14084 1 17 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.052 -0.112 25135 14085 1 17 . 1 1 5 5 LYS C C 5 179.200 179.200 179.540 -0.340 25135 14086 1 17 . 1 1 5 5 LYS CA C 5 60.000 60.000 58.560 1.440 25135 14087 1 17 . 1 1 5 5 LYS CB C 5 31.900 31.900 31.552 0.347 25135 14088 1 17 . 1 1 5 5 LYS H H 5 7.940 7.940 7.801 0.139 25135 14089 1 17 . 1 1 6 6 HIS N N 6 118.400 118.400 119.661 -1.261 25135 14090 1 17 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.503 -0.083 25135 14091 1 17 . 1 1 6 6 HIS C C 6 178.200 178.200 177.669 0.531 25135 14092 1 17 . 1 1 6 6 HIS CA C 6 59.100 59.100 58.726 0.374 25135 14093 1 17 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.273 0.627 25135 14094 1 17 . 1 1 6 6 HIS H H 6 7.710 7.710 7.799 -0.089 25135 14095 1 17 . 1 1 7 7 ILE N N 7 120.300 120.300 121.395 -1.095 25135 14096 1 17 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.490 -0.050 25135 14097 1 17 . 1 1 7 7 ILE C C 7 176.500 176.500 177.434 -0.934 25135 14098 1 17 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.524 0.476 25135 14099 1 17 . 1 1 7 7 ILE CB C 7 38.700 38.700 38.010 0.690 25135 14100 1 17 . 1 1 7 7 ILE H H 7 7.950 7.950 8.339 -0.389 25135 14101 1 17 . 1 1 8 8 ILE N N 8 120.200 120.200 119.555 0.645 25135 14102 1 17 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.468 0.112 25135 14103 1 17 . 1 1 8 8 ILE C C 8 178.000 178.000 178.006 -0.006 25135 14104 1 17 . 1 1 8 8 ILE CA C 8 65.800 65.800 65.914 -0.114 25135 14105 1 17 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.547 1.052 25135 14106 1 17 . 1 1 8 8 ILE H H 8 8.450 8.450 8.916 -0.466 25135 14107 1 17 . 1 1 9 9 THR N N 9 115.400 115.400 114.221 1.179 25135 14108 1 17 . 1 1 9 9 THR HA H 9 3.880 3.880 3.977 -0.097 25135 14109 1 17 . 1 1 9 9 THR C C 9 176.300 176.300 176.348 -0.048 25135 14110 1 17 . 1 1 9 9 THR CA C 9 66.900 66.900 66.166 0.734 25135 14111 1 17 . 1 1 9 9 THR CB C 9 68.800 68.800 68.811 -0.011 25135 14112 1 17 . 1 1 9 9 THR H H 9 8.120 8.120 7.504 0.616 25135 14113 1 17 . 1 1 10 10 LEU N N 10 122.100 122.100 121.477 0.623 25135 14114 1 17 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.098 -0.048 25135 14115 1 17 . 1 1 10 10 LEU C C 10 178.800 178.800 178.280 0.520 25135 14116 1 17 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.868 1.032 25135 14117 1 17 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.150 1.150 25135 14118 1 17 . 1 1 10 10 LEU H H 10 7.950 7.950 7.416 0.534 25135 14119 1 17 . 1 1 11 11 GLY N N 11 105.800 105.800 105.140 0.660 25135 14120 1 17 . 1 1 11 11 GLY C C 11 174.700 174.700 176.257 -1.557 25135 14121 1 17 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.137 0.363 25135 14122 1 17 . 1 1 11 11 GLY H H 11 8.660 8.660 8.553 0.107 25135 14123 1 17 . 1 1 12 12 GLN N N 12 119.600 119.600 120.008 -0.408 25135 14124 1 17 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.366 -0.376 25135 14125 1 17 . 1 1 12 12 GLN C C 12 179.600 179.600 178.746 0.854 25135 14126 1 17 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.408 1.892 25135 14127 1 17 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.344 -0.444 25135 14128 1 17 . 1 1 12 12 GLN H H 12 8.050 8.050 7.540 0.510 25135 14129 1 17 . 1 1 13 13 VAL N N 13 122.600 122.600 122.075 0.525 25135 14130 1 17 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.668 0.002 25135 14131 1 17 . 1 1 13 13 VAL C C 13 178.500 178.500 177.807 0.693 25135 14132 1 17 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.487 0.213 25135 14133 1 17 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.377 0.523 25135 14134 1 17 . 1 1 13 13 VAL H H 13 8.300 8.300 7.913 0.387 25135 14135 1 17 . 1 1 14 14 ILE N N 14 121.000 121.000 119.417 1.583 25135 14136 1 17 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.757 -0.287 25135 14137 1 17 . 1 1 14 14 ILE C C 14 177.700 177.700 178.145 -0.445 25135 14138 1 17 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.133 0.667 25135 14139 1 17 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.769 0.631 25135 14140 1 17 . 1 1 14 14 ILE H H 14 8.480 8.480 8.535 -0.055 25135 14141 1 17 . 1 1 15 15 HIS N N 15 118.900 118.900 118.442 0.458 25135 14142 1 17 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.437 -0.537 25135 14143 1 17 . 1 1 15 15 HIS C C 15 176.200 176.200 177.084 -0.884 25135 14144 1 17 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.062 2.238 25135 14145 1 17 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.247 -0.247 25135 14146 1 17 . 1 1 15 15 HIS H H 15 8.250 8.250 7.603 0.647 25135 14147 1 17 . 1 1 16 16 LYS N N 16 118.500 118.500 119.977 -1.477 25135 14148 1 17 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.686 -0.016 25135 14149 1 17 . 1 1 16 16 LYS C C 16 179.200 179.200 178.842 0.358 25135 14150 1 17 . 1 1 16 16 LYS CA C 16 59.500 59.500 59.164 0.336 25135 14151 1 17 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.124 0.376 25135 14152 1 17 . 1 1 16 16 LYS H H 16 7.820 7.820 8.201 -0.381 25135 14153 1 17 . 1 1 17 17 ARG N N 17 117.600 117.600 119.215 -1.615 25135 14154 1 17 . 1 1 17 17 ARG HA H 17 3.960 3.960 4.147 -0.187 25135 14155 1 17 . 1 1 17 17 ARG C C 17 180.600 180.600 177.366 3.234 25135 14156 1 17 . 1 1 17 17 ARG CA C 17 59.200 59.200 59.136 0.064 25135 14157 1 17 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.489 0.011 25135 14158 1 17 . 1 1 17 17 ARG H H 17 8.330 8.330 8.623 -0.293 25135 14159 1 17 . 1 1 18 18 CYS N N 18 118.100 118.100 114.186 3.914 25135 14160 1 17 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.251 -0.361 25135 14161 1 17 . 1 1 18 18 CYS C C 18 177.300 177.300 177.523 -0.223 25135 14162 1 17 . 1 1 18 18 CYS CA C 18 65.900 65.900 60.433 5.467 25135 14163 1 17 . 1 1 18 18 CYS CB C 18 27.600 27.600 28.455 -0.855 25135 14164 1 17 . 1 1 18 18 CYS H H 18 8.550 8.550 7.511 1.039 25135 14165 1 17 . 1 1 19 19 GLU N N 19 117.900 117.900 119.963 -2.063 25135 14166 1 17 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.046 -0.236 25135 14167 1 17 . 1 1 19 19 GLU C C 19 177.100 177.100 177.443 -0.343 25135 14168 1 17 . 1 1 19 19 GLU CA C 19 58.300 58.300 58.759 -0.459 25135 14169 1 17 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.421 0.580 25135 14170 1 17 . 1 1 19 19 GLU H H 19 7.540 7.540 7.757 -0.217 25135 14171 1 17 . 1 1 20 20 GLU N N 20 115.400 115.400 114.004 1.396 25135 14172 1 17 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.351 -0.131 25135 14173 1 17 . 1 1 20 20 GLU C C 20 177.100 177.100 176.708 0.392 25135 14174 1 17 . 1 1 20 20 GLU CA C 20 55.900 55.900 55.586 0.314 25135 14175 1 17 . 1 1 20 20 GLU CB C 20 30.600 30.600 29.936 0.664 25135 14176 1 17 . 1 1 20 20 GLU H H 20 7.190 7.190 7.528 -0.338 25135 14177 1 17 . 1 1 21 21 MET N N 21 120.500 120.500 119.408 1.092 25135 14178 1 17 . 1 1 21 21 MET HA H 21 4.260 4.260 4.284 -0.024 25135 14179 1 17 . 1 1 21 21 MET C C 21 177.800 177.800 176.252 1.548 25135 14180 1 17 . 1 1 21 21 MET CA C 21 56.400 56.400 55.285 1.115 25135 14181 1 17 . 1 1 21 21 MET CB C 21 33.300 33.300 32.733 0.567 25135 14182 1 17 . 1 1 21 21 MET H H 21 6.940 6.940 7.388 -0.448 25135 14183 1 17 . 1 1 22 22 LYS N N 22 120.500 120.500 123.798 -3.298 25135 14184 1 17 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.269 -0.319 25135 14185 1 17 . 1 1 22 22 LYS C C 22 175.400 175.400 175.748 -0.348 25135 14186 1 17 . 1 1 22 22 LYS CA C 22 57.000 57.000 56.429 0.571 25135 14187 1 17 . 1 1 22 22 LYS CB C 22 33.600 33.600 32.985 0.615 25135 14188 1 17 . 1 1 22 22 LYS H H 22 8.760 8.760 8.838 -0.078 25135 14189 1 17 . 1 1 23 23 TYR N N 23 115.500 115.500 117.083 -1.583 25135 14190 1 17 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.590 0.320 25135 14191 1 17 . 1 1 23 23 TYR C C 23 173.700 173.700 174.803 -1.103 25135 14192 1 17 . 1 1 23 23 TYR CA C 23 55.000 55.000 57.470 -2.470 25135 14193 1 17 . 1 1 23 23 TYR CB C 23 41.900 41.900 41.456 0.444 25135 14194 1 17 . 1 1 23 23 TYR H H 23 7.260 7.260 7.555 -0.295 25135 14195 1 17 . 1 1 24 24 CYS N N 24 113.600 113.600 117.776 -4.176 25135 14196 1 17 . 1 1 24 24 CYS HA H 24 3.700 3.700 4.019 -0.319 25135 14197 1 17 . 1 1 24 24 CYS C C 24 174.700 174.700 175.636 -0.936 25135 14198 1 17 . 1 1 24 24 CYS CA C 24 60.400 60.400 60.223 0.177 25135 14199 1 17 . 1 1 24 24 CYS CB C 24 26.100 26.100 25.926 0.174 25135 14200 1 17 . 1 1 24 24 CYS H H 24 8.720 8.720 9.192 -0.472 25135 14201 1 17 . 1 1 25 25 LYS N N 25 115.800 115.800 119.816 -4.016 25135 14202 1 17 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.932 -0.352 25135 14203 1 17 . 1 1 25 25 LYS C C 25 179.800 179.800 178.549 1.251 25135 14204 1 17 . 1 1 25 25 LYS CA C 25 60.700 60.700 60.112 0.588 25135 14205 1 17 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.375 0.925 25135 14206 1 17 . 1 1 25 25 LYS H H 25 8.050 8.050 8.408 -0.358 25135 14207 1 17 . 1 1 26 26 LYS N N 26 121.000 121.000 119.067 1.933 25135 14208 1 17 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.917 0.073 25135 14209 1 17 . 1 1 26 26 LYS C C 26 181.300 181.300 179.707 1.593 25135 14210 1 17 . 1 1 26 26 LYS CA C 26 59.000 59.000 59.807 -0.807 25135 14211 1 17 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.721 -1.321 25135 14212 1 17 . 1 1 26 26 LYS H H 26 10.600 10.600 8.589 2.011 25135 14213 1 17 . 1 1 27 27 GLN N N 27 120.500 120.500 118.348 2.152 25135 14214 1 17 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.321 -0.351 25135 14215 1 17 . 1 1 27 27 GLN C C 27 180.200 180.200 178.582 1.618 25135 14216 1 17 . 1 1 27 27 GLN CA C 27 59.300 59.300 59.016 0.284 25135 14217 1 17 . 1 1 27 27 GLN CB C 27 32.100 32.100 28.885 3.215 25135 14218 1 17 . 1 1 27 27 GLN H H 27 9.890 9.890 8.321 1.569 25135 14219 1 17 . 1 1 28 28 CYS N N 28 118.800 118.800 119.239 -0.439 25135 14220 1 17 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.907 0.303 25135 14221 1 17 . 1 1 28 28 CYS C C 28 176.200 176.200 176.711 -0.511 25135 14222 1 17 . 1 1 28 28 CYS CA C 28 64.300 64.300 63.293 1.007 25135 14223 1 17 . 1 1 28 28 CYS CB C 28 26.800 26.800 26.384 0.416 25135 14224 1 17 . 1 1 28 28 CYS H H 28 8.550 8.550 8.914 -0.364 25135 14225 1 17 . 1 1 29 29 ARG N N 29 119.300 119.300 119.298 0.002 25135 14226 1 17 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.953 -0.083 25135 14227 1 17 . 1 1 29 29 ARG C C 29 178.900 178.900 178.685 0.215 25135 14228 1 17 . 1 1 29 29 ARG CA C 29 59.300 59.300 59.049 0.251 25135 14229 1 17 . 1 1 29 29 ARG CB C 29 29.200 29.200 29.200 0.000 25135 14230 1 17 . 1 1 29 29 ARG H H 29 8.700 8.700 8.708 -0.008 25135 14231 1 17 . 1 1 30 30 ARG N N 30 119.700 119.700 120.230 -0.530 25135 14232 1 17 . 1 1 30 30 ARG HA H 30 3.890 3.890 4.046 -0.156 25135 14233 1 17 . 1 1 30 30 ARG C C 30 178.000 178.000 178.471 -0.471 25135 14234 1 17 . 1 1 30 30 ARG CA C 30 58.200 58.200 59.522 -1.322 25135 14235 1 17 . 1 1 30 30 ARG CB C 30 29.100 29.100 30.070 -0.970 25135 14236 1 17 . 1 1 30 30 ARG H H 30 7.810 7.810 7.409 0.401 25135 14237 1 17 . 1 1 31 31 LEU N N 31 120.600 120.600 120.911 -0.311 25135 14238 1 17 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.691 0.349 25135 14239 1 17 . 1 1 31 31 LEU C C 31 178.400 178.400 178.725 -0.325 25135 14240 1 17 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.771 0.529 25135 14241 1 17 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.392 -0.191 25135 14242 1 17 . 1 1 31 31 LEU H H 31 7.310 7.310 8.316 -1.006 25135 14243 1 17 . 1 1 32 32 GLY N N 32 105.200 105.200 105.149 0.051 25135 14244 1 17 . 1 1 32 32 GLY C C 32 175.600 175.600 175.667 -0.067 25135 14245 1 17 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.177 1.223 25135 14246 1 17 . 1 1 32 32 GLY H H 32 7.960 7.960 7.734 0.226 25135 14247 1 17 . 1 1 33 33 HIS N N 33 120.500 120.500 122.625 -2.125 25135 14248 1 17 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.140 0.090 25135 14249 1 17 . 1 1 33 33 HIS C C 33 179.400 179.400 178.033 1.367 25135 14250 1 17 . 1 1 33 33 HIS CA C 33 59.600 59.600 59.322 0.279 25135 14251 1 17 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.093 0.507 25135 14252 1 17 . 1 1 33 33 HIS H H 33 8.340 8.340 8.327 0.013 25135 14253 1 17 . 1 1 34 34 ARG N N 34 121.900 121.900 118.700 3.200 25135 14254 1 17 . 1 1 34 34 ARG HA H 34 3.870 3.870 4.015 -0.145 25135 14255 1 17 . 1 1 34 34 ARG C C 34 179.600 179.600 178.399 1.201 25135 14256 1 17 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.094 0.406 25135 14257 1 17 . 1 1 34 34 ARG CB C 34 30.100 30.100 30.038 0.062 25135 14258 1 17 . 1 1 34 34 ARG H H 34 8.680 8.680 8.569 0.111 25135 14259 1 17 . 1 1 35 35 VAL N N 35 118.500 118.500 121.117 -2.617 25135 14260 1 17 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.324 0.086 25135 14261 1 17 . 1 1 35 35 VAL C C 35 177.600 177.600 177.721 -0.121 25135 14262 1 17 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.459 1.341 25135 14263 1 17 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.495 -0.195 25135 14264 1 17 . 1 1 35 35 VAL H H 35 8.500 8.500 8.025 0.475 25135 14265 1 17 . 1 1 36 36 LEU N N 36 118.300 118.300 119.009 -0.709 25135 14266 1 17 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.777 0.122 25135 14267 1 17 . 1 1 36 36 LEU C C 36 179.600 179.600 179.133 0.467 25135 14268 1 17 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.684 0.316 25135 14269 1 17 . 1 1 36 36 LEU CB C 36 41.400 41.400 41.142 0.258 25135 14270 1 17 . 1 1 36 36 LEU H H 36 7.890 7.890 8.735 -0.845 25135 14271 1 17 . 1 1 37 37 GLY N N 37 104.900 104.900 105.182 -0.282 25135 14272 1 17 . 1 1 37 37 GLY C C 37 175.700 175.700 175.351 0.349 25135 14273 1 17 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.571 0.129 25135 14274 1 17 . 1 1 37 37 GLY H H 37 7.760 7.760 7.454 0.306 25135 14275 1 17 . 1 1 38 38 LEU N N 38 120.500 120.500 120.262 0.238 25135 14276 1 17 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.733 -0.143 25135 14277 1 17 . 1 1 38 38 LEU C C 38 176.900 176.900 177.993 -1.093 25135 14278 1 17 . 1 1 38 38 LEU CA C 38 56.500 56.500 56.078 0.422 25135 14279 1 17 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.322 -0.722 25135 14280 1 17 . 1 1 38 38 LEU H H 38 7.720 7.720 7.410 0.310 25135 14281 1 17 . 1 1 39 39 ILE N N 39 108.700 108.700 115.970 -7.270 25135 14282 1 17 . 1 1 39 39 ILE HA H 39 4.190 4.190 4.020 0.170 25135 14283 1 17 . 1 1 39 39 ILE C C 39 178.100 178.100 177.065 1.035 25135 14284 1 17 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.370 -0.670 25135 14285 1 17 . 1 1 39 39 ILE CB C 39 38.500 38.500 37.984 0.516 25135 14286 1 17 . 1 1 39 39 ILE H H 39 7.540 7.540 7.386 0.154 25135 14287 1 17 . 1 1 40 40 LYS N N 40 122.800 122.800 121.947 0.853 25135 14288 1 17 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.101 0.329 25135 14289 1 17 . 1 1 40 40 LYS CA C 40 60.700 60.700 60.225 0.475 25135 14290 1 17 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.402 -0.002 25135 14291 1 17 . 1 1 40 40 LYS H H 40 7.600 7.600 8.455 -0.855 25135 14292 1 17 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.325 0.105 25135 14293 1 17 . 1 1 41 41 PRO C C 41 178.700 178.700 178.704 -0.004 25135 14294 1 17 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.489 0.011 25135 14295 1 17 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.355 0.245 25135 14296 1 17 . 1 1 42 42 LEU N N 42 114.400 114.400 118.972 -4.572 25135 14297 1 17 . 1 1 42 42 LEU HA H 42 4.060 4.060 3.996 0.064 25135 14298 1 17 . 1 1 42 42 LEU C C 42 178.800 178.800 179.158 -0.358 25135 14299 1 17 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.806 -0.706 25135 14300 1 17 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.091 -0.791 25135 14301 1 17 . 1 1 42 42 LEU H H 42 7.200 7.200 7.589 -0.389 25135 14302 1 17 . 1 1 43 43 GLU N N 43 119.200 119.200 117.588 1.612 25135 14303 1 17 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.982 -0.062 25135 14304 1 17 . 1 1 43 43 GLU C C 43 179.100 179.100 178.598 0.502 25135 14305 1 17 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.719 -0.219 25135 14306 1 17 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.413 0.687 25135 14307 1 17 . 1 1 43 43 GLU H H 43 8.120 8.120 8.121 -0.001 25135 14308 1 17 . 1 1 44 44 MET N N 44 116.500 116.500 116.328 0.172 25135 14309 1 17 . 1 1 44 44 MET HA H 44 4.310 4.310 4.291 0.019 25135 14310 1 17 . 1 1 44 44 MET C C 44 177.900 177.900 177.701 0.199 25135 14311 1 17 . 1 1 44 44 MET CA C 44 57.600 57.600 57.445 0.155 25135 14312 1 17 . 1 1 44 44 MET CB C 44 32.500 32.500 32.852 -0.353 25135 14313 1 17 . 1 1 44 44 MET H H 44 7.600 7.600 7.493 0.107 25135 14314 1 17 . 1 1 45 45 LEU N N 45 119.900 119.900 119.929 -0.029 25135 14315 1 17 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.282 -0.132 25135 14316 1 17 . 1 1 45 45 LEU C C 45 178.000 178.000 178.637 -0.637 25135 14317 1 17 . 1 1 45 45 LEU CA C 45 56.600 56.600 58.236 -1.636 25135 14318 1 17 . 1 1 45 45 LEU CB C 45 42.000 42.000 42.641 -0.641 25135 14319 1 17 . 1 1 45 45 LEU H H 45 7.620 7.620 7.771 -0.151 25135 14320 1 17 . 1 1 46 46 GLN N N 46 118.300 118.300 118.164 0.136 25135 14321 1 17 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.100 -0.080 25135 14322 1 17 . 1 1 46 46 GLN C C 46 176.500 176.500 177.913 -1.413 25135 14323 1 17 . 1 1 46 46 GLN CA C 46 57.700 57.700 58.157 -0.457 25135 14324 1 17 . 1 1 46 46 GLN CB C 46 29.500 29.500 27.947 1.553 25135 14325 1 17 . 1 1 46 46 GLN H H 46 7.950 7.950 8.504 -0.554 25135 14326 1 17 . 1 1 47 47 ASP N N 47 119.000 119.000 120.126 -1.126 25135 14327 1 17 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.252 0.319 25135 14328 1 17 . 1 1 47 47 ASP C C 47 176.900 176.900 178.088 -1.188 25135 14329 1 17 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.896 -1.596 25135 14330 1 17 . 1 1 47 47 ASP CB C 47 41.300 41.300 41.040 0.260 25135 14331 1 17 . 1 1 47 47 ASP H H 47 7.890 7.890 7.841 0.049 25135 14332 1 17 . 1 1 48 48 GLN N N 48 119.500 119.500 116.930 2.570 25135 14333 1 17 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.103 0.127 25135 14334 1 17 . 1 1 48 48 GLN C C 48 177.200 177.200 177.233 -0.033 25135 14335 1 17 . 1 1 48 48 GLN CA C 48 56.700 56.700 57.134 -0.434 25135 14336 1 17 . 1 1 48 48 GLN CB C 48 29.300 29.300 29.078 0.222 25135 14337 1 17 . 1 1 48 48 GLN H H 48 8.080 8.080 8.071 0.009 25135 14338 1 17 . 1 1 49 49 GLY N N 49 108.100 108.100 108.132 -0.032 25135 14339 1 17 . 1 1 49 49 GLY C C 49 174.300 174.300 173.692 0.608 25135 14340 1 17 . 1 1 49 49 GLY CA C 49 46.000 46.000 44.642 1.358 25135 14341 1 17 . 1 1 49 49 GLY H H 49 8.270 8.270 7.564 0.706 25135 14342 1 17 . 1 1 50 50 LYS N N 50 120.200 120.200 121.682 -1.482 25135 14343 1 17 . 1 1 50 50 LYS HA H 50 4.320 4.320 3.937 0.383 25135 14344 1 17 . 1 1 50 50 LYS C C 50 176.400 176.400 175.517 0.883 25135 14345 1 17 . 1 1 50 50 LYS CA C 50 56.500 56.500 56.659 -0.159 25135 14346 1 17 . 1 1 50 50 LYS CB C 50 32.900 32.900 31.181 1.719 25135 14347 1 17 . 1 1 50 50 LYS H H 50 8.130 8.130 8.496 -0.366 25135 14348 1 17 . 1 1 51 51 ARG N N 51 121.300 121.300 117.267 4.033 25135 14349 1 17 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.058 0.402 25135 14350 1 17 . 1 1 51 51 ARG C C 51 176.100 176.100 174.487 1.613 25135 14351 1 17 . 1 1 51 51 ARG CA C 51 56.000 56.000 56.787 -0.787 25135 14352 1 17 . 1 1 51 51 ARG CB C 51 31.200 31.200 30.546 0.654 25135 14353 1 17 . 1 1 51 51 ARG H H 51 8.260 8.260 8.247 0.013 25135 14354 1 17 . 1 1 52 52 SER N N 52 116.900 116.900 117.890 -0.990 25135 14355 1 17 . 1 1 52 52 SER HA H 52 4.550 4.550 4.674 -0.124 25135 14356 1 17 . 1 1 52 52 SER C C 52 173.900 173.900 173.315 0.585 25135 14357 1 17 . 1 1 52 52 SER CA C 52 57.800 57.800 57.635 0.165 25135 14358 1 17 . 1 1 52 52 SER CB C 52 64.300 64.300 64.163 0.137 25135 14359 1 17 . 1 1 52 52 SER H H 52 8.150 8.150 8.387 -0.237 25135 14360 1 17 . 1 1 53 53 VAL N N 53 124.300 124.300 124.020 0.280 25135 14361 1 17 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.107 0.183 25135 14362 1 17 . 1 1 53 53 VAL CA C 53 60.400 60.400 60.247 0.153 25135 14363 1 17 . 1 1 53 53 VAL CB C 53 32.500 32.500 32.528 -0.028 25135 14364 1 17 . 1 1 53 53 VAL H H 53 8.420 8.420 8.263 0.157 25135 14365 1 17 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.553 -0.063 25135 14366 1 17 . 1 1 54 54 PRO C C 54 176.600 176.600 176.270 0.330 25135 14367 1 17 . 1 1 54 54 PRO CA C 54 62.500 62.500 62.301 0.199 25135 14368 1 17 . 1 1 54 54 PRO CB C 54 32.600 32.600 29.945 2.655 25135 14369 1 17 . 1 1 55 55 SER N N 55 119.500 119.500 117.675 1.825 25135 14370 1 17 . 1 1 55 55 SER HA H 55 4.370 4.370 4.249 0.121 25135 14371 1 17 . 1 1 55 55 SER C C 55 175.500 175.500 176.046 -0.546 25135 14372 1 17 . 1 1 55 55 SER CA C 55 58.200 58.200 59.190 -0.989 25135 14373 1 17 . 1 1 55 55 SER CB C 55 64.200 64.200 64.676 -0.476 25135 14374 1 17 . 1 1 55 55 SER H H 55 8.970 8.970 8.311 0.659 25135 14375 1 17 . 1 1 56 56 GLU N N 56 123.000 123.000 122.812 0.188 25135 14376 1 17 . 1 1 56 56 GLU HA H 56 4.140 4.140 4.086 0.054 25135 14377 1 17 . 1 1 56 56 GLU C C 56 179.300 179.300 178.649 0.651 25135 14378 1 17 . 1 1 56 56 GLU CA C 56 59.700 59.700 59.454 0.246 25135 14379 1 17 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.700 -0.500 25135 14380 1 17 . 1 1 56 56 GLU H H 56 9.030 9.030 8.943 0.087 25135 14381 1 17 . 1 1 57 57 LYS N N 57 118.900 118.900 118.435 0.465 25135 14382 1 17 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.110 -0.110 25135 14383 1 17 . 1 1 57 57 LYS C C 57 179.400 179.400 178.283 1.117 25135 14384 1 17 . 1 1 57 57 LYS CA C 57 59.600 59.600 59.147 0.453 25135 14385 1 17 . 1 1 57 57 LYS CB C 57 32.700 32.700 32.326 0.374 25135 14386 1 17 . 1 1 57 57 LYS H H 57 8.150 8.150 8.115 0.035 25135 14387 1 17 . 1 1 58 58 LEU N N 58 122.800 122.800 121.368 1.432 25135 14388 1 17 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.052 0.048 25135 14389 1 17 . 1 1 58 58 LEU C C 58 178.200 178.200 178.373 -0.173 25135 14390 1 17 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.148 0.152 25135 14391 1 17 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.379 -0.879 25135 14392 1 17 . 1 1 58 58 LEU H H 58 8.420 8.420 8.046 0.374 25135 14393 1 17 . 1 1 59 59 THR N N 59 117.800 117.800 113.179 4.621 25135 14394 1 17 . 1 1 59 59 THR HA H 59 3.730 3.730 3.998 -0.268 25135 14395 1 17 . 1 1 59 59 THR C C 59 176.800 176.800 176.882 -0.082 25135 14396 1 17 . 1 1 59 59 THR CA C 59 67.500 67.500 67.235 0.265 25135 14397 1 17 . 1 1 59 59 THR CB C 59 68.400 68.400 68.332 0.068 25135 14398 1 17 . 1 1 59 59 THR H H 59 8.600 8.600 8.161 0.439 25135 14399 1 17 . 1 1 60 60 THR N N 60 118.300 118.300 117.363 0.937 25135 14400 1 17 . 1 1 60 60 THR HA H 60 3.980 3.980 4.039 -0.059 25135 14401 1 17 . 1 1 60 60 THR C C 60 176.400 176.400 175.968 0.432 25135 14402 1 17 . 1 1 60 60 THR CA C 60 66.900 66.900 66.650 0.250 25135 14403 1 17 . 1 1 60 60 THR CB C 60 68.400 68.400 68.519 -0.119 25135 14404 1 17 . 1 1 60 60 THR H H 60 8.390 8.390 7.537 0.853 25135 14405 1 17 . 1 1 61 61 ALA N N 61 124.900 124.900 124.475 0.425 25135 14406 1 17 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.165 -0.045 25135 14407 1 17 . 1 1 61 61 ALA C C 61 180.000 180.000 179.808 0.192 25135 14408 1 17 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.472 0.328 25135 14409 1 17 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.231 0.569 25135 14410 1 17 . 1 1 61 61 ALA H H 61 8.090 8.090 7.795 0.295 25135 14411 1 17 . 1 1 62 62 MET N N 62 118.300 118.300 117.438 0.862 25135 14412 1 17 . 1 1 62 62 MET HA H 62 4.110 4.110 4.255 -0.145 25135 14413 1 17 . 1 1 62 62 MET C C 62 178.300 178.300 178.718 -0.418 25135 14414 1 17 . 1 1 62 62 MET CA C 62 59.600 59.600 59.423 0.177 25135 14415 1 17 . 1 1 62 62 MET CB C 62 32.500 32.500 31.798 0.702 25135 14416 1 17 . 1 1 62 62 MET H H 62 8.820 8.820 8.798 0.022 25135 14417 1 17 . 1 1 63 63 ASN N N 63 119.500 119.500 118.960 0.540 25135 14418 1 17 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.540 0.040 25135 14419 1 17 . 1 1 63 63 ASN C C 63 179.000 179.000 177.898 1.102 25135 14420 1 17 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.811 -0.511 25135 14421 1 17 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.425 -0.725 25135 14422 1 17 . 1 1 63 63 ASN H H 63 8.320 8.320 8.832 -0.512 25135 14423 1 17 . 1 1 64 64 ARG N N 64 122.500 122.500 120.462 2.038 25135 14424 1 17 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.163 0.027 25135 14425 1 17 . 1 1 64 64 ARG C C 64 179.300 179.300 179.078 0.222 25135 14426 1 17 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.240 0.460 25135 14427 1 17 . 1 1 64 64 ARG CB C 64 30.700 30.700 29.965 0.735 25135 14428 1 17 . 1 1 64 64 ARG H H 64 8.560 8.560 8.167 0.393 25135 14429 1 17 . 1 1 65 65 PHE N N 65 123.100 123.100 122.318 0.782 25135 14430 1 17 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.318 0.152 25135 14431 1 17 . 1 1 65 65 PHE C C 65 176.400 176.400 176.958 -0.558 25135 14432 1 17 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.481 1.119 25135 14433 1 17 . 1 1 65 65 PHE CB C 65 39.400 39.400 38.977 0.423 25135 14434 1 17 . 1 1 65 65 PHE H H 65 8.560 8.560 8.893 -0.333 25135 14435 1 17 . 1 1 66 66 LYS N N 66 119.800 119.800 119.732 0.068 25135 14436 1 17 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.760 -0.140 25135 14437 1 17 . 1 1 66 66 LYS C C 66 177.600 177.600 178.830 -1.230 25135 14438 1 17 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.636 1.064 25135 14439 1 17 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.292 0.208 25135 14440 1 17 . 1 1 66 66 LYS H H 66 8.610 8.610 8.804 -0.194 25135 14441 1 17 . 1 1 67 67 ALA N N 67 119.000 119.000 121.389 -2.389 25135 14442 1 17 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.437 -0.207 25135 14443 1 17 . 1 1 67 67 ALA C C 67 180.400 180.400 179.386 1.014 25135 14444 1 17 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.470 0.530 25135 14445 1 17 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.532 -0.532 25135 14446 1 17 . 1 1 67 67 ALA H H 67 8.000 8.000 8.318 -0.318 25135 14447 1 17 . 1 1 68 68 ALA N N 68 122.200 122.200 122.177 0.023 25135 14448 1 17 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.017 0.173 25135 14449 1 17 . 1 1 68 68 ALA C C 68 179.800 179.800 179.672 0.128 25135 14450 1 17 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.873 0.327 25135 14451 1 17 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.512 -0.712 25135 14452 1 17 . 1 1 68 68 ALA H H 68 7.950 7.950 8.371 -0.421 25135 14453 1 17 . 1 1 69 69 LEU N N 69 118.900 118.900 119.018 -0.118 25135 14454 1 17 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.780 0.070 25135 14455 1 17 . 1 1 69 69 LEU C C 69 179.200 179.200 178.907 0.293 25135 14456 1 17 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.279 -0.779 25135 14457 1 17 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.609 -0.209 25135 14458 1 17 . 1 1 69 69 LEU H H 69 8.020 8.020 8.491 -0.471 25135 14459 1 17 . 1 1 70 70 GLU N N 70 120.500 120.500 118.311 2.189 25135 14460 1 17 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.788 0.152 25135 14461 1 17 . 1 1 70 70 GLU C C 70 180.500 180.500 179.052 1.448 25135 14462 1 17 . 1 1 70 70 GLU CA C 70 59.900 59.900 59.719 0.181 25135 14463 1 17 . 1 1 70 70 GLU CB C 70 29.200 29.200 29.158 0.042 25135 14464 1 17 . 1 1 70 70 GLU H H 70 8.590 8.590 7.761 0.829 25135 14465 1 17 . 1 1 71 71 GLU N N 71 122.200 122.200 119.405 2.795 25135 14466 1 17 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.067 0.003 25135 14467 1 17 . 1 1 71 71 GLU C C 71 179.600 179.600 178.307 1.293 25135 14468 1 17 . 1 1 71 71 GLU CA C 71 59.400 59.400 59.469 -0.069 25135 14469 1 17 . 1 1 71 71 GLU CB C 71 29.400 29.400 28.963 0.437 25135 14470 1 17 . 1 1 71 71 GLU H H 71 8.300 8.300 7.526 0.774 25135 14471 1 17 . 1 1 72 72 ALA N N 72 122.800 122.800 121.905 0.895 25135 14472 1 17 . 1 1 72 72 ALA HA H 72 3.890 3.890 3.989 -0.099 25135 14473 1 17 . 1 1 72 72 ALA C C 72 178.500 178.500 179.948 -1.448 25135 14474 1 17 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.252 0.448 25135 14475 1 17 . 1 1 72 72 ALA CB C 72 17.200 17.200 17.854 -0.654 25135 14476 1 17 . 1 1 72 72 ALA H H 72 8.330 8.330 7.567 0.763 25135 14477 1 17 . 1 1 73 73 ASN N N 73 115.700 115.700 117.188 -1.488 25135 14478 1 17 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.357 0.093 25135 14479 1 17 . 1 1 73 73 ASN C C 73 177.600 177.600 178.081 -0.481 25135 14480 1 17 . 1 1 73 73 ASN CA C 73 56.300 56.300 55.886 0.414 25135 14481 1 17 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.137 0.763 25135 14482 1 17 . 1 1 73 73 ASN H H 73 8.460 8.460 8.682 -0.222 25135 14483 1 17 . 1 1 74 74 GLY N N 74 105.500 105.500 108.233 -2.733 25135 14484 1 17 . 1 1 74 74 GLY C C 74 177.100 177.100 176.249 0.851 25135 14485 1 17 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.721 0.279 25135 14486 1 17 . 1 1 74 74 GLY H H 74 8.070 8.070 8.419 -0.349 25135 14487 1 17 . 1 1 75 75 GLU N N 75 123.500 123.500 122.739 0.761 25135 14488 1 17 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.886 0.224 25135 14489 1 17 . 1 1 75 75 GLU C C 75 178.500 178.500 179.269 -0.769 25135 14490 1 17 . 1 1 75 75 GLU CA C 75 58.700 58.700 59.328 -0.628 25135 14491 1 17 . 1 1 75 75 GLU CB C 75 29.900 29.900 29.736 0.164 25135 14492 1 17 . 1 1 75 75 GLU H H 75 8.110 8.110 8.430 -0.320 25135 14493 1 17 . 1 1 76 76 ILE N N 76 120.300 120.300 118.342 1.958 25135 14494 1 17 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.952 -0.132 25135 14495 1 17 . 1 1 76 76 ILE C C 76 178.300 178.300 176.837 1.463 25135 14496 1 17 . 1 1 76 76 ILE CA C 76 65.500 65.500 65.064 0.436 25135 14497 1 17 . 1 1 76 76 ILE CB C 76 37.900 37.900 38.153 -0.253 25135 14498 1 17 . 1 1 76 76 ILE H H 76 8.330 8.330 8.551 -0.221 25135 14499 1 17 . 1 1 77 77 GLU N N 77 119.400 119.400 118.516 0.884 25135 14500 1 17 . 1 1 77 77 GLU HA H 77 3.920 3.920 3.995 -0.075 25135 14501 1 17 . 1 1 77 77 GLU C C 77 180.200 180.200 179.061 1.139 25135 14502 1 17 . 1 1 77 77 GLU CA C 77 59.700 59.700 58.814 0.886 25135 14503 1 17 . 1 1 77 77 GLU CB C 77 29.300 29.300 29.848 -0.548 25135 14504 1 17 . 1 1 77 77 GLU H H 77 7.860 7.860 7.683 0.177 25135 14505 1 17 . 1 1 78 78 LYS N N 78 121.600 121.600 119.792 1.808 25135 14506 1 17 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.049 -0.149 25135 14507 1 17 . 1 1 78 78 LYS C C 78 179.200 179.200 178.260 0.940 25135 14508 1 17 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.545 1.355 25135 14509 1 17 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.311 -0.011 25135 14510 1 17 . 1 1 78 78 LYS H H 78 7.760 7.760 8.360 -0.600 25135 14511 1 17 . 1 1 79 79 PHE N N 79 115.900 115.900 116.114 -0.214 25135 14512 1 17 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.653 0.027 25135 14513 1 17 . 1 1 79 79 PHE C C 79 174.100 174.100 176.289 -2.189 25135 14514 1 17 . 1 1 79 79 PHE CA C 79 58.200 58.200 57.035 1.165 25135 14515 1 17 . 1 1 79 79 PHE CB C 79 36.900 36.900 39.002 -2.102 25135 14516 1 17 . 1 1 79 79 PHE H H 79 8.170 8.170 7.502 0.668 25135 14517 1 17 . 1 1 80 80 SER N N 80 113.300 113.300 115.009 -1.709 25135 14518 1 17 . 1 1 80 80 SER HA H 80 4.500 4.500 4.305 0.195 25135 14519 1 17 . 1 1 80 80 SER C C 80 173.700 173.700 174.429 -0.729 25135 14520 1 17 . 1 1 80 80 SER CA C 80 60.500 60.500 60.987 -0.487 25135 14521 1 17 . 1 1 80 80 SER CB C 80 63.400 63.400 63.749 -0.349 25135 14522 1 17 . 1 1 80 80 SER H H 80 7.700 7.700 7.471 0.229 25135 14523 1 17 . 1 1 81 81 ASN N N 81 119.500 119.500 118.936 0.564 25135 14524 1 17 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.807 0.163 25135 14525 1 17 . 1 1 81 81 ASN CA C 81 52.100 52.100 52.645 -0.545 25135 14526 1 17 . 1 1 81 81 ASN CB C 81 40.300 40.300 38.672 1.628 25135 14527 1 17 . 1 1 81 81 ASN H H 81 7.290 7.290 7.961 -0.671 25135 14528 1 17 . 1 1 82 82 ARG N N 82 127.400 127.400 126.790 0.610 25135 14529 1 17 . 1 1 82 82 ARG HA H 82 3.590 3.590 3.176 0.414 25135 14530 1 17 . 1 1 82 82 ARG C C 82 177.700 177.700 177.804 -0.104 25135 14531 1 17 . 1 1 82 82 ARG CA C 82 59.800 59.800 59.185 0.615 25135 14532 1 17 . 1 1 82 82 ARG CB C 82 30.100 30.100 29.417 0.683 25135 14533 1 17 . 1 1 82 82 ARG H H 82 9.050 9.050 8.823 0.227 25135 14534 1 17 . 1 1 83 83 SER N N 83 114.600 114.600 113.262 1.338 25135 14535 1 17 . 1 1 83 83 SER HA H 83 3.930 3.930 4.210 -0.280 25135 14536 1 17 . 1 1 83 83 SER C C 83 177.100 177.100 176.199 0.901 25135 14537 1 17 . 1 1 83 83 SER CA C 83 62.200 62.200 61.029 1.171 25135 14538 1 17 . 1 1 83 83 SER CB C 83 62.000 62.000 62.617 -0.617 25135 14539 1 17 . 1 1 83 83 SER H H 83 8.390 8.390 8.404 -0.014 25135 14540 1 17 . 1 1 84 84 ASN N N 84 119.700 119.700 119.578 0.122 25135 14541 1 17 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.712 -0.112 25135 14542 1 17 . 1 1 84 84 ASN C C 84 179.100 179.100 177.477 1.623 25135 14543 1 17 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.804 -0.404 25135 14544 1 17 . 1 1 84 84 ASN CB C 84 37.600 37.600 38.802 -1.202 25135 14545 1 17 . 1 1 84 84 ASN H H 84 7.980 7.980 8.135 -0.155 25135 14546 1 17 . 1 1 85 85 ILE N N 85 122.100 122.100 122.694 -0.594 25135 14547 1 17 . 1 1 85 85 ILE HA H 85 3.820 3.820 3.976 -0.156 25135 14548 1 17 . 1 1 85 85 ILE C C 85 176.900 176.900 177.636 -0.736 25135 14549 1 17 . 1 1 85 85 ILE CA C 85 64.700 64.700 65.267 -0.567 25135 14550 1 17 . 1 1 85 85 ILE CB C 85 37.400 37.400 36.658 0.742 25135 14551 1 17 . 1 1 85 85 ILE H H 85 7.760 7.760 7.733 0.027 25135 14552 1 17 . 1 1 86 86 CYS N N 86 119.200 119.200 117.289 1.911 25135 14553 1 17 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.781 0.159 25135 14554 1 17 . 1 1 86 86 CYS C C 86 177.400 177.400 177.268 0.132 25135 14555 1 17 . 1 1 86 86 CYS CA C 86 63.800 63.800 63.592 0.208 25135 14556 1 17 . 1 1 86 86 CYS CB C 86 26.900 26.900 26.602 0.298 25135 14557 1 17 . 1 1 86 86 CYS H H 86 8.330 8.330 8.031 0.299 25135 14558 1 17 . 1 1 87 87 ARG N N 87 119.200 119.200 119.464 -0.264 25135 14559 1 17 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.230 -0.210 25135 14560 1 17 . 1 1 87 87 ARG C C 87 178.500 178.500 178.849 -0.349 25135 14561 1 17 . 1 1 87 87 ARG CA C 87 59.500 59.500 59.079 0.421 25135 14562 1 17 . 1 1 87 87 ARG CB C 87 30.300 30.300 30.142 0.158 25135 14563 1 17 . 1 1 87 87 ARG H H 87 7.900 7.900 7.475 0.425 25135 14564 1 17 . 1 1 88 88 PHE N N 88 120.300 120.300 121.656 -1.356 25135 14565 1 17 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.342 -0.122 25135 14566 1 17 . 1 1 88 88 PHE C C 88 177.200 177.200 176.628 0.572 25135 14567 1 17 . 1 1 88 88 PHE CA C 88 61.500 61.500 60.639 0.861 25135 14568 1 17 . 1 1 88 88 PHE CB C 88 39.800 39.800 38.800 1.000 25135 14569 1 17 . 1 1 88 88 PHE H H 88 7.760 7.760 8.659 -0.899 25135 14570 1 17 . 1 1 89 89 LEU N N 89 117.900 117.900 118.049 -0.149 25135 14571 1 17 . 1 1 89 89 LEU HA H 89 3.640 3.640 3.108 0.532 25135 14572 1 17 . 1 1 89 89 LEU C C 89 178.700 178.700 178.925 -0.225 25135 14573 1 17 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.187 0.213 25135 14574 1 17 . 1 1 89 89 LEU CB C 89 41.600 41.600 41.090 0.510 25135 14575 1 17 . 1 1 89 89 LEU H H 89 8.590 8.590 8.101 0.489 25135 14576 1 17 . 1 1 90 90 THR N N 90 112.000 112.000 111.686 0.314 25135 14577 1 17 . 1 1 90 90 THR HA H 90 3.980 3.980 4.063 -0.083 25135 14578 1 17 . 1 1 90 90 THR C C 90 174.900 174.900 176.506 -1.606 25135 14579 1 17 . 1 1 90 90 THR CA C 90 65.200 65.200 64.797 0.403 25135 14580 1 17 . 1 1 90 90 THR CB C 90 69.300 69.300 69.307 -0.007 25135 14581 1 17 . 1 1 90 90 THR H H 90 7.690 7.690 7.567 0.123 25135 14582 1 17 . 1 1 91 91 ALA N N 91 122.400 122.400 122.657 -0.257 25135 14583 1 17 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.263 0.007 25135 14584 1 17 . 1 1 91 91 ALA C C 91 177.500 177.500 177.462 0.038 25135 14585 1 17 . 1 1 91 91 ALA CA C 91 53.000 53.000 52.839 0.161 25135 14586 1 17 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.412 0.588 25135 14587 1 17 . 1 1 91 91 ALA H H 91 7.220 7.220 7.987 -0.767 25135 14588 1 17 . 1 1 92 92 SER N N 92 112.900 112.900 112.753 0.147 25135 14589 1 17 . 1 1 92 92 SER HA H 92 4.130 4.130 4.259 -0.129 25135 14590 1 17 . 1 1 92 92 SER CA C 92 57.600 57.600 58.807 -1.207 25135 14591 1 17 . 1 1 92 92 SER CB C 92 64.000 64.000 61.659 2.341 25135 14592 1 17 . 1 1 92 92 SER H H 92 7.510 7.510 7.973 -0.463 25135 14593 1 17 . 1 1 93 93 GLN N N 93 125.700 125.700 123.220 2.480 25135 14594 1 17 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.219 -0.019 25135 14595 1 17 . 1 1 93 93 GLN C C 93 176.700 176.700 176.479 0.221 25135 14596 1 17 . 1 1 93 93 GLN CA C 93 57.700 57.700 58.890 -1.190 25135 14597 1 17 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.546 -0.546 25135 14598 1 17 . 1 1 93 93 GLN H H 93 8.710 8.710 8.464 0.246 25135 14599 1 17 . 1 1 94 94 ASP N N 94 116.400 116.400 115.074 1.326 25135 14600 1 17 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.785 -0.225 25135 14601 1 17 . 1 1 94 94 ASP CA C 94 54.000 54.000 54.012 -0.012 25135 14602 1 17 . 1 1 94 94 ASP CB C 94 41.700 41.700 41.870 -0.170 25135 14603 1 17 . 1 1 94 94 ASP H H 94 7.800 7.800 8.583 -0.783 25135 14604 1 17 . 1 1 95 95 LYS N N 95 114.300 114.300 115.989 -1.689 25135 14605 1 17 . 1 1 95 95 LYS H H 95 8.290 8.290 8.774 -0.484 25135 14606 1 17 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.432 -0.112 25135 14607 1 17 . 1 1 96 96 ILE C C 96 177.000 177.000 176.852 0.148 25135 14608 1 17 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.914 0.886 25135 14609 1 17 . 1 1 96 96 ILE CB C 96 38.100 38.100 39.593 -1.493 25135 14610 1 17 . 1 1 97 97 LEU N N 97 131.100 131.100 126.420 4.680 25135 14611 1 17 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.322 -0.202 25135 14612 1 17 . 1 1 97 97 LEU C C 97 177.200 177.200 177.693 -0.493 25135 14613 1 17 . 1 1 97 97 LEU CA C 97 58.000 58.000 58.341 -0.341 25135 14614 1 17 . 1 1 97 97 LEU CB C 97 42.900 42.900 41.868 1.032 25135 14615 1 17 . 1 1 97 97 LEU H H 97 8.620 8.620 8.941 -0.321 25135 14616 1 17 . 1 1 98 98 PHE N N 98 113.600 113.600 109.981 3.619 25135 14617 1 17 . 1 1 98 98 PHE HA H 98 5.100 5.100 5.028 0.072 25135 14618 1 17 . 1 1 98 98 PHE C C 98 175.400 175.400 175.251 0.149 25135 14619 1 17 . 1 1 98 98 PHE CA C 98 55.700 55.700 54.560 1.139 25135 14620 1 17 . 1 1 98 98 PHE CB C 98 37.600 37.600 37.458 0.142 25135 14621 1 17 . 1 1 98 98 PHE H H 98 8.450 8.450 7.614 0.836 25135 14622 1 17 . 1 1 99 99 LYS N N 99 119.500 119.500 123.414 -3.914 25135 14623 1 17 . 1 1 99 99 LYS HA H 99 3.880 3.880 3.884 -0.004 25135 14624 1 17 . 1 1 99 99 LYS C C 99 178.900 178.900 178.034 0.866 25135 14625 1 17 . 1 1 99 99 LYS CA C 99 61.100 61.100 59.659 1.441 25135 14626 1 17 . 1 1 99 99 LYS CB C 99 33.500 33.500 31.968 1.532 25135 14627 1 17 . 1 1 99 99 LYS H H 99 6.790 6.790 7.237 -0.447 25135 14628 1 17 . 1 1 100 100 ASP N N 100 117.800 117.800 118.683 -0.883 25135 14629 1 17 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.438 0.172 25135 14630 1 17 . 1 1 100 100 ASP C C 100 179.000 179.000 178.730 0.270 25135 14631 1 17 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.468 0.332 25135 14632 1 17 . 1 1 100 100 ASP CB C 100 40.400 40.400 40.274 0.126 25135 14633 1 17 . 1 1 100 100 ASP H H 100 8.520 8.520 8.767 -0.247 25135 14634 1 17 . 1 1 101 101 VAL N N 101 122.600 122.600 118.286 4.314 25135 14635 1 17 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.748 0.112 25135 14636 1 17 . 1 1 101 101 VAL C C 101 177.100 177.100 178.172 -1.072 25135 14637 1 17 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.721 -1.021 25135 14638 1 17 . 1 1 101 101 VAL CB C 101 32.300 32.300 31.745 0.555 25135 14639 1 17 . 1 1 101 101 VAL H H 101 8.210 8.210 8.015 0.195 25135 14640 1 17 . 1 1 102 102 ASN N N 102 121.000 121.000 118.784 2.216 25135 14641 1 17 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.911 -0.351 25135 14642 1 17 . 1 1 102 102 ASN C C 102 178.500 178.500 178.576 -0.076 25135 14643 1 17 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.902 -0.702 25135 14644 1 17 . 1 1 102 102 ASN CB C 102 37.900 37.900 38.182 -0.282 25135 14645 1 17 . 1 1 102 102 ASN H H 102 9.060 9.060 8.427 0.633 25135 14646 1 17 . 1 1 103 103 ARG N N 103 120.700 120.700 119.780 0.920 25135 14647 1 17 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.285 -0.125 25135 14648 1 17 . 1 1 103 103 ARG C C 103 177.900 177.900 178.508 -0.608 25135 14649 1 17 . 1 1 103 103 ARG CA C 103 59.100 59.100 59.609 -0.509 25135 14650 1 17 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.943 -1.043 25135 14651 1 17 . 1 1 103 103 ARG H H 103 7.640 7.640 8.244 -0.604 25135 14652 1 17 . 1 1 104 104 LYS N N 104 119.700 119.700 120.813 -1.113 25135 14653 1 17 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.237 -0.047 25135 14654 1 17 . 1 1 104 104 LYS C C 104 179.300 179.300 178.695 0.605 25135 14655 1 17 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.612 0.488 25135 14656 1 17 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.803 -0.304 25135 14657 1 17 . 1 1 104 104 LYS H H 104 7.960 7.960 8.366 -0.406 25135 14658 1 17 . 1 1 105 105 LEU N N 105 118.200 118.200 121.430 -3.230 25135 14659 1 17 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.218 -0.178 25135 14660 1 17 . 1 1 105 105 LEU C C 105 178.400 178.400 178.528 -0.128 25135 14661 1 17 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.150 0.350 25135 14662 1 17 . 1 1 105 105 LEU CB C 105 42.500 42.500 42.109 0.391 25135 14663 1 17 . 1 1 105 105 LEU H H 105 8.990 8.990 9.063 -0.073 25135 14664 1 17 . 1 1 106 106 SER N N 106 111.700 111.700 113.956 -2.256 25135 14665 1 17 . 1 1 106 106 SER HA H 106 3.870 3.870 4.489 -0.620 25135 14666 1 17 . 1 1 106 106 SER C C 106 177.500 177.500 176.806 0.694 25135 14667 1 17 . 1 1 106 106 SER CA C 106 61.400 61.400 61.949 -0.549 25135 14668 1 17 . 1 1 106 106 SER CB C 106 62.600 62.600 62.391 0.209 25135 14669 1 17 . 1 1 106 106 SER H H 106 7.980 7.980 7.768 0.212 25135 14670 1 17 . 1 1 107 107 ASP N N 107 122.000 122.000 123.175 -1.175 25135 14671 1 17 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.380 0.060 25135 14672 1 17 . 1 1 107 107 ASP C C 107 179.700 179.700 178.717 0.983 25135 14673 1 17 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.304 0.596 25135 14674 1 17 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.819 -0.220 25135 14675 1 17 . 1 1 107 107 ASP H H 107 8.500 8.500 7.643 0.857 25135 14676 1 17 . 1 1 108 108 VAL N N 108 119.200 119.200 119.048 0.152 25135 14677 1 17 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.701 0.309 25135 14678 1 17 . 1 1 108 108 VAL C C 108 178.400 178.400 177.501 0.899 25135 14679 1 17 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.106 -0.506 25135 14680 1 17 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.485 0.015 25135 14681 1 17 . 1 1 108 108 VAL H H 108 8.830 8.830 7.710 1.120 25135 14682 1 17 . 1 1 109 109 TRP N N 109 121.900 121.900 121.282 0.618 25135 14683 1 17 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.929 0.341 25135 14684 1 17 . 1 1 109 109 TRP C C 109 178.000 178.000 178.018 -0.018 25135 14685 1 17 . 1 1 109 109 TRP CA C 109 60.100 60.100 59.791 0.309 25135 14686 1 17 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.580 0.120 25135 14687 1 17 . 1 1 109 109 TRP H H 109 8.710 8.710 7.822 0.888 25135 14688 1 17 . 1 1 110 110 LYS N N 110 119.500 119.500 118.464 1.036 25135 14689 1 17 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.731 -0.101 25135 14690 1 17 . 1 1 110 110 LYS C C 110 178.000 178.000 179.111 -1.111 25135 14691 1 17 . 1 1 110 110 LYS CA C 110 60.500 60.500 59.793 0.707 25135 14692 1 17 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.073 0.127 25135 14693 1 17 . 1 1 110 110 LYS H H 110 8.010 8.010 7.967 0.043 25135 14694 1 17 . 1 1 111 111 GLU N N 111 116.700 116.700 118.149 -1.449 25135 14695 1 17 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.123 -0.113 25135 14696 1 17 . 1 1 111 111 GLU C C 111 178.400 178.400 178.550 -0.150 25135 14697 1 17 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.118 0.682 25135 14698 1 17 . 1 1 111 111 GLU CB C 111 30.400 30.400 30.075 0.325 25135 14699 1 17 . 1 1 111 111 GLU H H 111 7.000 7.000 7.647 -0.647 25135 14700 1 17 . 1 1 112 112 LEU N N 112 119.000 119.000 121.755 -2.755 25135 14701 1 17 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.132 -0.392 25135 14702 1 17 . 1 1 112 112 LEU C C 112 177.600 177.600 177.814 -0.214 25135 14703 1 17 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.241 0.559 25135 14704 1 17 . 1 1 112 112 LEU CB C 112 42.200 42.200 42.118 0.082 25135 14705 1 17 . 1 1 112 112 LEU H H 112 8.380 8.380 8.264 0.116 25135 14706 1 17 . 1 1 113 113 SER N N 113 113.100 113.100 114.925 -1.825 25135 14707 1 17 . 1 1 113 113 SER HA H 113 3.190 3.190 3.498 -0.308 25135 14708 1 17 . 1 1 113 113 SER C C 113 176.300 176.300 176.003 0.297 25135 14709 1 17 . 1 1 113 113 SER CA C 113 61.600 61.600 61.363 0.237 25135 14710 1 17 . 1 1 113 113 SER CB C 113 61.800 61.800 62.085 -0.285 25135 14711 1 17 . 1 1 113 113 SER H H 113 8.490 8.490 8.043 0.447 25135 14712 1 17 . 1 1 114 114 LEU N N 114 121.500 121.500 121.215 0.285 25135 14713 1 17 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.076 -0.056 25135 14714 1 17 . 1 1 114 114 LEU C C 114 179.100 179.100 177.601 1.499 25135 14715 1 17 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.090 0.910 25135 14716 1 17 . 1 1 114 114 LEU CB C 114 41.800 41.800 40.557 1.243 25135 14717 1 17 . 1 1 114 114 LEU H H 114 6.810 6.810 7.147 -0.337 25135 14718 1 17 . 1 1 115 115 LEU N N 115 118.200 118.200 118.422 -0.222 25135 14719 1 17 . 1 1 115 115 LEU HA H 115 4.060 4.060 4.041 0.019 25135 14720 1 17 . 1 1 115 115 LEU C C 115 179.600 179.600 178.875 0.725 25135 14721 1 17 . 1 1 115 115 LEU CA C 115 57.700 57.700 57.023 0.677 25135 14722 1 17 . 1 1 115 115 LEU CB C 115 43.100 43.100 41.964 1.136 25135 14723 1 17 . 1 1 115 115 LEU H H 115 7.270 7.270 7.086 0.184 25135 14724 1 17 . 1 1 116 116 LEU N N 116 118.700 118.700 120.562 -1.862 25135 14725 1 17 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.779 0.071 25135 14726 1 17 . 1 1 116 116 LEU C C 116 179.300 179.300 178.951 0.349 25135 14727 1 17 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.277 -0.677 25135 14728 1 17 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.640 -0.240 25135 14729 1 17 . 1 1 116 116 LEU H H 116 8.440 8.440 8.059 0.381 25135 14730 1 17 . 1 1 117 117 GLN N N 117 119.500 119.500 116.224 3.276 25135 14731 1 17 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.325 0.015 25135 14732 1 17 . 1 1 117 117 GLN C C 117 178.200 178.200 178.298 -0.098 25135 14733 1 17 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.386 0.414 25135 14734 1 17 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.127 0.673 25135 14735 1 17 . 1 1 117 117 GLN H H 117 8.030 8.030 8.252 -0.222 25135 14736 1 17 . 1 1 118 118 VAL N N 118 117.600 117.600 120.768 -3.168 25135 14737 1 17 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.725 0.115 25135 14738 1 17 . 1 1 118 118 VAL C C 118 177.900 177.900 177.715 0.185 25135 14739 1 17 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.174 0.226 25135 14740 1 17 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.871 1.029 25135 14741 1 17 . 1 1 118 118 VAL H H 118 8.110 8.110 7.351 0.759 25135 14742 1 17 . 1 1 119 119 GLU N N 119 116.900 116.900 117.771 -0.871 25135 14743 1 17 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.027 0.283 25135 14744 1 17 . 1 1 119 119 GLU C C 119 177.700 177.700 179.280 -1.580 25135 14745 1 17 . 1 1 119 119 GLU CA C 119 58.400 58.400 59.397 -0.997 25135 14746 1 17 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.657 1.043 25135 14747 1 17 . 1 1 119 119 GLU H H 119 8.620 8.620 8.354 0.266 25135 14748 1 17 . 1 1 120 120 GLN N N 120 113.300 113.300 116.447 -3.147 25135 14749 1 17 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.340 0.110 25135 14750 1 17 . 1 1 120 120 GLN C C 120 174.700 174.700 176.325 -1.625 25135 14751 1 17 . 1 1 120 120 GLN CA C 120 54.500 54.500 56.073 -1.573 25135 14752 1 17 . 1 1 120 120 GLN CB C 120 28.600 28.600 29.466 -0.866 25135 14753 1 17 . 1 1 120 120 GLN H H 120 7.350 7.350 8.265 -0.915 25135 14754 1 17 . 1 1 121 121 ARG N N 121 114.800 114.800 114.502 0.298 25135 14755 1 17 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.182 -0.062 25135 14756 1 17 . 1 1 121 121 ARG C C 121 175.600 175.600 175.653 -0.053 25135 14757 1 17 . 1 1 121 121 ARG CA C 121 56.600 56.600 57.016 -0.416 25135 14758 1 17 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.428 0.272 25135 14759 1 17 . 1 1 121 121 ARG H H 121 7.410 7.410 7.688 -0.278 25135 14760 1 17 . 1 1 122 122 MET N N 122 120.300 120.300 117.770 2.530 25135 14761 1 17 . 1 1 122 122 MET HA H 122 4.600 4.600 4.856 -0.256 25135 14762 1 17 . 1 1 122 122 MET CA C 122 53.700 53.700 53.314 0.386 25135 14763 1 17 . 1 1 122 122 MET CB C 122 34.700 34.700 32.831 1.869 25135 14764 1 17 . 1 1 122 122 MET H H 122 7.760 7.760 7.509 0.251 25135 14765 1 17 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.498 -0.018 25135 14766 1 17 . 1 1 123 123 PRO C C 123 176.300 176.300 175.950 0.350 25135 14767 1 17 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.028 -0.228 25135 14768 1 17 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.583 -0.283 25135 14769 1 17 . 1 1 124 124 VAL N N 124 120.000 120.000 122.612 -2.612 25135 14770 1 17 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.388 -0.308 25135 14771 1 17 . 1 1 124 124 VAL C C 124 175.800 175.800 175.297 0.503 25135 14772 1 17 . 1 1 124 124 VAL CA C 124 61.700 61.700 61.453 0.247 25135 14773 1 17 . 1 1 124 124 VAL CB C 124 33.100 33.100 33.841 -0.741 25135 14774 1 17 . 1 1 124 124 VAL H H 124 8.080 8.080 8.294 -0.214 25135 14775 1 17 . 1 1 125 125 SER N N 125 121.200 121.200 120.130 1.070 25135 14776 1 17 . 1 1 125 125 SER HA H 125 4.800 4.800 4.886 -0.086 25135 14777 1 17 . 1 1 125 125 SER CA C 125 56.200 56.200 56.021 0.179 25135 14778 1 17 . 1 1 125 125 SER CB C 125 63.700 63.700 63.731 -0.031 25135 14779 1 17 . 1 1 125 125 SER H H 125 8.380 8.380 8.163 0.217 25135 14780 1 17 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.379 0.101 25135 14781 1 17 . 1 1 126 126 PRO C C 126 177.100 177.100 175.985 1.115 25135 14782 1 17 . 1 1 126 126 PRO CA C 126 63.400 63.400 63.438 -0.038 25135 14783 1 17 . 1 1 126 126 PRO CB C 126 31.900 31.900 30.198 1.702 25135 14784 1 17 . 1 1 127 127 ILE N N 127 119.900 119.900 121.086 -1.186 25135 14785 1 17 . 1 1 127 127 ILE HA H 127 4.140 4.140 4.082 0.058 25135 14786 1 17 . 1 1 127 127 ILE C C 127 176.300 176.300 177.396 -1.096 25135 14787 1 17 . 1 1 127 127 ILE CA C 127 61.300 61.300 62.166 -0.866 25135 14788 1 17 . 1 1 127 127 ILE CB C 127 38.800 38.800 35.596 3.204 25135 14789 1 17 . 1 1 127 127 ILE H H 127 8.050 8.050 8.805 -0.755 25135 14790 1 17 . 1 1 128 128 SER N N 128 119.000 119.000 116.728 2.272 25135 14791 1 17 . 1 1 128 128 SER HA H 128 4.400 4.400 4.071 0.329 25135 14792 1 17 . 1 1 128 128 SER C C 128 174.600 174.600 175.932 -1.332 25135 14793 1 17 . 1 1 128 128 SER CA C 128 58.300 58.300 61.251 -2.950 25135 14794 1 17 . 1 1 128 128 SER CB C 128 63.600 63.600 63.388 0.212 25135 14795 1 17 . 1 1 128 128 SER H H 128 8.230 8.230 8.736 -0.506 25135 14796 1 17 . 1 1 129 129 GLN N N 129 122.600 122.600 117.672 4.928 25135 14797 1 17 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.207 0.023 25135 14798 1 17 . 1 1 129 129 GLN C C 129 176.200 176.200 176.806 -0.606 25135 14799 1 17 . 1 1 129 129 GLN CA C 129 56.300 56.300 56.965 -0.665 25135 14800 1 17 . 1 1 129 129 GLN CB C 129 29.100 29.100 29.011 0.089 25135 14801 1 17 . 1 1 129 129 GLN H H 129 8.340 8.340 8.230 0.110 25135 14802 1 17 . 1 1 130 130 GLY N N 130 109.200 109.200 106.287 2.913 25135 14803 1 17 . 1 1 130 130 GLY C C 130 175.100 175.100 174.036 1.064 25135 14804 1 17 . 1 1 130 130 GLY CA C 130 45.200 45.200 44.865 0.335 25135 14805 1 17 . 1 1 130 130 GLY H H 130 8.150 8.150 8.421 -0.271 25135 14806 1 17 . 1 1 131 131 ALA N N 131 124.700 124.700 123.030 1.670 25135 14807 1 17 . 1 1 131 131 ALA HA H 131 4.230 4.230 2.767 1.463 25135 14808 1 17 . 1 1 131 131 ALA C C 131 178.700 178.700 177.261 1.439 25135 14809 1 17 . 1 1 131 131 ALA CA C 131 53.800 53.800 52.413 1.387 25135 14810 1 17 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.205 0.695 25135 14811 1 17 . 1 1 131 131 ALA H H 131 8.070 8.070 7.817 0.253 25135 14812 1 17 . 1 1 132 132 SER N N 132 113.200 113.200 114.138 -0.938 25135 14813 1 17 . 1 1 132 132 SER HA H 132 4.580 4.580 4.362 0.218 25135 14814 1 17 . 1 1 132 132 SER C C 132 175.700 175.700 175.536 0.164 25135 14815 1 17 . 1 1 132 132 SER CA C 132 58.500 58.500 59.294 -0.794 25135 14816 1 17 . 1 1 132 132 SER CB C 132 63.800 63.800 62.306 1.494 25135 14817 1 17 . 1 1 132 132 SER H H 132 8.340 8.340 7.909 0.431 25135 14818 1 17 . 1 1 133 133 TRP N N 133 122.800 122.800 122.503 0.297 25135 14819 1 17 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.338 0.192 25135 14820 1 17 . 1 1 133 133 TRP C C 133 178.200 178.200 177.879 0.321 25135 14821 1 17 . 1 1 133 133 TRP CA C 133 58.900 58.900 59.194 -0.293 25135 14822 1 17 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.218 1.982 25135 14823 1 17 . 1 1 133 133 TRP H H 133 8.380 8.380 7.024 1.356 25135 14824 1 17 . 1 1 134 134 ALA N N 134 120.600 120.600 120.885 -0.285 25135 14825 1 17 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.942 0.308 25135 14826 1 17 . 1 1 134 134 ALA C C 134 180.700 180.700 179.686 1.014 25135 14827 1 17 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.447 0.253 25135 14828 1 17 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.769 0.231 25135 14829 1 17 . 1 1 134 134 ALA H H 134 8.420 8.420 8.337 0.083 25135 14830 1 17 . 1 1 135 135 GLN N N 135 118.900 118.900 117.506 1.394 25135 14831 1 17 . 1 1 135 135 GLN HA H 135 4.100 4.100 3.981 0.119 25135 14832 1 17 . 1 1 135 135 GLN C C 135 179.200 179.200 178.798 0.402 25135 14833 1 17 . 1 1 135 135 GLN CA C 135 59.000 59.000 59.135 -0.134 25135 14834 1 17 . 1 1 135 135 GLN CB C 135 28.500 28.500 28.270 0.230 25135 14835 1 17 . 1 1 135 135 GLN H H 135 7.860 7.860 8.373 -0.513 25135 14836 1 17 . 1 1 136 136 GLU N N 136 120.900 120.900 119.136 1.764 25135 14837 1 17 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.214 -0.394 25135 14838 1 17 . 1 1 136 136 GLU C C 136 177.800 177.800 179.102 -1.302 25135 14839 1 17 . 1 1 136 136 GLU CA C 136 59.000 59.000 58.960 0.040 25135 14840 1 17 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.628 0.372 25135 14841 1 17 . 1 1 136 136 GLU H H 136 7.720 7.720 8.069 -0.349 25135 14842 1 17 . 1 1 137 137 ASP N N 137 118.200 118.200 120.709 -2.509 25135 14843 1 17 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.391 0.069 25135 14844 1 17 . 1 1 137 137 ASP C C 137 178.100 178.100 178.213 -0.113 25135 14845 1 17 . 1 1 137 137 ASP CA C 137 57.200 57.200 57.727 -0.527 25135 14846 1 17 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.626 -0.526 25135 14847 1 17 . 1 1 137 137 ASP H H 137 8.800 8.800 8.582 0.218 25135 14848 1 17 . 1 1 138 138 GLN N N 138 116.900 116.900 119.167 -2.267 25135 14849 1 17 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.064 -0.184 25135 14850 1 17 . 1 1 138 138 GLN C C 138 178.400 178.400 178.122 0.278 25135 14851 1 17 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.587 0.313 25135 14852 1 17 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.128 0.572 25135 14853 1 17 . 1 1 138 138 GLN H H 138 7.510 7.510 8.217 -0.707 25135 14854 1 17 . 1 1 139 139 GLN N N 139 119.500 119.500 119.126 0.374 25135 14855 1 17 . 1 1 139 139 GLN HA H 139 4.110 4.110 4.033 0.077 25135 14856 1 17 . 1 1 139 139 GLN C C 139 178.900 178.900 178.391 0.509 25135 14857 1 17 . 1 1 139 139 GLN CA C 139 58.900 58.900 59.275 -0.375 25135 14858 1 17 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.603 -0.003 25135 14859 1 17 . 1 1 139 139 GLN H H 139 7.520 7.520 7.742 -0.222 25135 14860 1 17 . 1 1 140 140 ASP N N 140 121.700 121.700 119.041 2.659 25135 14861 1 17 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.538 -0.518 25135 14862 1 17 . 1 1 140 140 ASP C C 140 177.700 177.700 177.863 -0.163 25135 14863 1 17 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.572 0.728 25135 14864 1 17 . 1 1 140 140 ASP CB C 140 40.700 40.700 40.960 -0.260 25135 14865 1 17 . 1 1 140 140 ASP H H 140 9.130 9.130 7.747 1.383 25135 14866 1 17 . 1 1 141 141 ALA N N 141 121.000 121.000 123.502 -2.502 25135 14867 1 17 . 1 1 141 141 ALA HA H 141 4.250 4.250 3.977 0.273 25135 14868 1 17 . 1 1 141 141 ALA C C 141 180.800 180.800 178.921 1.879 25135 14869 1 17 . 1 1 141 141 ALA CA C 141 55.400 55.400 55.388 0.012 25135 14870 1 17 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.595 0.905 25135 14871 1 17 . 1 1 141 141 ALA H H 141 8.720 8.720 7.850 0.870 25135 14872 1 17 . 1 1 142 142 ASP N N 142 119.100 119.100 117.953 1.147 25135 14873 1 17 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.324 0.106 25135 14874 1 17 . 1 1 142 142 ASP C C 142 178.600 178.600 178.822 -0.222 25135 14875 1 17 . 1 1 142 142 ASP CA C 142 57.600 57.600 57.692 -0.092 25135 14876 1 17 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.377 0.923 25135 14877 1 17 . 1 1 142 142 ASP H H 142 7.850 7.850 8.617 -0.767 25135 14878 1 17 . 1 1 143 143 GLU N N 143 119.500 119.500 119.586 -0.086 25135 14879 1 17 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.157 -0.127 25135 14880 1 17 . 1 1 143 143 GLU C C 143 180.100 180.100 178.343 1.757 25135 14881 1 17 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.670 1.030 25135 14882 1 17 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.517 0.083 25135 14883 1 17 . 1 1 143 143 GLU H H 143 7.860 7.860 7.699 0.161 25135 14884 1 17 . 1 1 144 144 ASP N N 144 121.000 121.000 121.994 -0.994 25135 14885 1 17 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.227 0.423 25135 14886 1 17 . 1 1 144 144 ASP C C 144 179.500 179.500 178.609 0.891 25135 14887 1 17 . 1 1 144 144 ASP CA C 144 57.500 57.500 58.866 -1.366 25135 14888 1 17 . 1 1 144 144 ASP CB C 144 41.100 41.100 40.839 0.261 25135 14889 1 17 . 1 1 144 144 ASP H H 144 8.840 8.840 8.356 0.484 25135 14890 1 17 . 1 1 145 145 ARG N N 145 121.400 121.400 117.965 3.435 25135 14891 1 17 . 1 1 145 145 ARG HA H 145 4.130 4.130 4.249 -0.119 25135 14892 1 17 . 1 1 145 145 ARG C C 145 178.700 178.700 178.949 -0.249 25135 14893 1 17 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.501 -0.001 25135 14894 1 17 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.837 -0.237 25135 14895 1 17 . 1 1 145 145 ARG H H 145 8.510 8.510 8.016 0.494 25135 14896 1 17 . 1 1 146 146 ARG N N 146 119.400 119.400 119.320 0.080 25135 14897 1 17 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.120 -0.010 25135 14898 1 17 . 1 1 146 146 ARG C C 146 178.400 178.400 178.351 0.049 25135 14899 1 17 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.729 0.671 25135 14900 1 17 . 1 1 146 146 ARG CB C 146 30.200 30.200 29.749 0.451 25135 14901 1 17 . 1 1 146 146 ARG H H 146 7.680 7.680 7.744 -0.064 25135 14902 1 17 . 1 1 147 147 ALA N N 147 120.300 120.300 122.123 -1.823 25135 14903 1 17 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.177 0.133 25135 14904 1 17 . 1 1 147 147 ALA C C 147 179.500 179.500 178.482 1.018 25135 14905 1 17 . 1 1 147 147 ALA CA C 147 54.100 54.100 54.865 -0.766 25135 14906 1 17 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.855 0.245 25135 14907 1 17 . 1 1 147 147 ALA H H 147 7.840 7.840 8.050 -0.210 25135 14908 1 17 . 1 1 148 148 PHE N N 148 119.900 119.900 115.182 4.718 25135 14909 1 17 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.540 -0.150 25135 14910 1 17 . 1 1 148 148 PHE C C 148 176.900 176.900 177.212 -0.312 25135 14911 1 17 . 1 1 148 148 PHE CA C 148 60.500 60.500 57.923 2.577 25135 14912 1 17 . 1 1 148 148 PHE CB C 148 39.700 39.700 39.026 0.674 25135 14913 1 17 . 1 1 148 148 PHE H H 148 8.210 8.210 7.930 0.280 25135 14914 1 17 . 1 1 149 149 GLN N N 149 118.500 118.500 119.335 -0.835 25135 14915 1 17 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.363 0.767 25135 14916 1 17 . 1 1 149 149 GLN C C 149 176.400 176.400 176.847 -0.447 25135 14917 1 17 . 1 1 149 149 GLN CA C 149 56.900 56.900 58.262 -1.362 25135 14918 1 17 . 1 1 149 149 GLN CB C 149 28.900 28.900 28.875 0.025 25135 14919 1 17 . 1 1 149 149 GLN H H 149 7.960 7.960 8.327 -0.367 25135 14920 1 17 . 1 1 150 150 MET N N 150 118.000 118.000 112.281 5.719 25135 14921 1 17 . 1 1 150 150 MET HA H 150 4.360 4.360 4.528 -0.168 25135 14922 1 17 . 1 1 150 150 MET C C 150 176.300 176.300 176.701 -0.401 25135 14923 1 17 . 1 1 150 150 MET CA C 150 56.000 56.000 55.559 0.441 25135 14924 1 17 . 1 1 150 150 MET CB C 150 32.800 32.800 35.633 -2.833 25135 14925 1 17 . 1 1 150 150 MET H H 150 7.760 7.760 7.467 0.293 25135 14926 1 17 . 1 1 151 151 LEU N N 151 121.200 121.200 122.788 -1.588 25135 14927 1 17 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.328 -0.058 25135 14928 1 17 . 1 1 151 151 LEU C C 151 177.100 177.100 175.693 1.407 25135 14929 1 17 . 1 1 151 151 LEU CA C 151 55.400 55.400 53.798 1.602 25135 14930 1 17 . 1 1 151 151 LEU CB C 151 42.300 42.300 40.655 1.645 25135 14931 1 17 . 1 1 151 151 LEU H H 151 7.690 7.690 7.690 -0.000 25135 14932 1 17 . 1 1 152 152 ARG N N 152 121.800 121.800 121.785 0.015 25135 14933 1 17 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.129 0.111 25135 14934 1 17 . 1 1 152 152 ARG C C 152 176.000 176.000 175.971 0.029 25135 14935 1 17 . 1 1 152 152 ARG CA C 152 56.200 56.200 57.603 -1.403 25135 14936 1 17 . 1 1 152 152 ARG CB C 152 30.900 30.900 29.413 1.488 25135 14937 1 17 . 1 1 152 152 ARG H H 152 8.120 8.120 7.934 0.186 25135 14938 1 17 . 1 1 153 153 ARG N N 153 123.100 123.100 124.285 -1.185 25135 14939 1 17 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.477 -0.117 25135 14940 1 17 . 1 1 153 153 ARG C C 153 174.900 174.900 175.497 -0.597 25135 14941 1 17 . 1 1 153 153 ARG CA C 153 56.000 56.000 56.554 -0.554 25135 14942 1 17 . 1 1 153 153 ARG CB C 153 31.000 31.000 31.836 -0.836 25135 14943 1 17 . 1 1 153 153 ARG H H 153 8.380 8.380 8.433 -0.053 25135 14944 1 18 . 1 1 2 2 GLU N N 2 120.000 120.000 120.969 -0.969 25135 14945 1 18 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.231 -0.251 25135 14946 1 18 . 1 1 2 2 GLU C C 2 178.400 178.400 177.441 0.959 25135 14947 1 18 . 1 1 2 2 GLU CA C 2 59.400 59.400 58.576 0.824 25135 14948 1 18 . 1 1 2 2 GLU CB C 2 29.200 29.200 30.041 -0.841 25135 14949 1 18 . 1 1 2 2 GLU H H 2 8.140 8.140 8.744 -0.604 25135 14950 1 18 . 1 1 3 3 ASN N N 3 117.300 117.300 116.305 0.995 25135 14951 1 18 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.714 -0.074 25135 14952 1 18 . 1 1 3 3 ASN C C 3 177.900 177.900 176.746 1.154 25135 14953 1 18 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.664 1.136 25135 14954 1 18 . 1 1 3 3 ASN CB C 3 39.000 39.000 38.274 0.726 25135 14955 1 18 . 1 1 3 3 ASN H H 3 7.960 7.960 8.709 -0.749 25135 14956 1 18 . 1 1 4 4 LEU N N 4 119.700 119.700 121.488 -1.788 25135 14957 1 18 . 1 1 4 4 LEU HA H 4 4.030 4.030 4.019 0.011 25135 14958 1 18 . 1 1 4 4 LEU C C 4 177.900 177.900 178.158 -0.258 25135 14959 1 18 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.626 -0.225 25135 14960 1 18 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.745 0.255 25135 14961 1 18 . 1 1 4 4 LEU H H 4 8.450 8.450 8.352 0.098 25135 14962 1 18 . 1 1 5 5 LYS N N 5 118.200 118.200 117.011 1.189 25135 14963 1 18 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.001 -0.061 25135 14964 1 18 . 1 1 5 5 LYS C C 5 179.200 179.200 179.568 -0.368 25135 14965 1 18 . 1 1 5 5 LYS CA C 5 60.000 60.000 58.767 1.233 25135 14966 1 18 . 1 1 5 5 LYS CB C 5 31.900 31.900 31.502 0.398 25135 14967 1 18 . 1 1 5 5 LYS H H 5 7.940 7.940 8.323 -0.383 25135 14968 1 18 . 1 1 6 6 HIS N N 6 118.400 118.400 119.608 -1.208 25135 14969 1 18 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.509 -0.089 25135 14970 1 18 . 1 1 6 6 HIS C C 6 178.200 178.200 177.685 0.515 25135 14971 1 18 . 1 1 6 6 HIS CA C 6 59.100 59.100 58.592 0.508 25135 14972 1 18 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.192 0.708 25135 14973 1 18 . 1 1 6 6 HIS H H 6 7.710 7.710 7.801 -0.091 25135 14974 1 18 . 1 1 7 7 ILE N N 7 120.300 120.300 121.587 -1.287 25135 14975 1 18 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.431 0.009 25135 14976 1 18 . 1 1 7 7 ILE C C 7 176.500 176.500 177.614 -1.114 25135 14977 1 18 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.844 0.156 25135 14978 1 18 . 1 1 7 7 ILE CB C 7 38.700 38.700 37.938 0.763 25135 14979 1 18 . 1 1 7 7 ILE H H 7 7.950 7.950 8.258 -0.308 25135 14980 1 18 . 1 1 8 8 ILE N N 8 120.200 120.200 119.452 0.748 25135 14981 1 18 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.453 0.127 25135 14982 1 18 . 1 1 8 8 ILE C C 8 178.000 178.000 177.866 0.134 25135 14983 1 18 . 1 1 8 8 ILE CA C 8 65.800 65.800 65.945 -0.145 25135 14984 1 18 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.581 1.020 25135 14985 1 18 . 1 1 8 8 ILE H H 8 8.450 8.450 8.881 -0.431 25135 14986 1 18 . 1 1 9 9 THR N N 9 115.400 115.400 114.767 0.633 25135 14987 1 18 . 1 1 9 9 THR HA H 9 3.880 3.880 3.938 -0.058 25135 14988 1 18 . 1 1 9 9 THR C C 9 176.300 176.300 176.667 -0.367 25135 14989 1 18 . 1 1 9 9 THR CA C 9 66.900 66.900 66.407 0.493 25135 14990 1 18 . 1 1 9 9 THR CB C 9 68.800 68.800 68.922 -0.122 25135 14991 1 18 . 1 1 9 9 THR H H 9 8.120 8.120 7.484 0.636 25135 14992 1 18 . 1 1 10 10 LEU N N 10 122.100 122.100 121.581 0.519 25135 14993 1 18 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.088 -0.038 25135 14994 1 18 . 1 1 10 10 LEU C C 10 178.800 178.800 178.267 0.533 25135 14995 1 18 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.855 1.045 25135 14996 1 18 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.233 1.067 25135 14997 1 18 . 1 1 10 10 LEU H H 10 7.950 7.950 7.646 0.304 25135 14998 1 18 . 1 1 11 11 GLY N N 11 105.800 105.800 105.124 0.676 25135 14999 1 18 . 1 1 11 11 GLY C C 11 174.700 174.700 176.197 -1.497 25135 15000 1 18 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.120 0.380 25135 15001 1 18 . 1 1 11 11 GLY H H 11 8.660 8.660 8.493 0.167 25135 15002 1 18 . 1 1 12 12 GLN N N 12 119.600 119.600 119.931 -0.331 25135 15003 1 18 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.350 -0.360 25135 15004 1 18 . 1 1 12 12 GLN C C 12 179.600 179.600 178.652 0.948 25135 15005 1 18 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.549 1.751 25135 15006 1 18 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.537 -0.637 25135 15007 1 18 . 1 1 12 12 GLN H H 12 8.050 8.050 7.507 0.543 25135 15008 1 18 . 1 1 13 13 VAL N N 13 122.600 122.600 122.048 0.552 25135 15009 1 18 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.586 0.084 25135 15010 1 18 . 1 1 13 13 VAL C C 13 178.500 178.500 177.662 0.838 25135 15011 1 18 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.904 -0.204 25135 15012 1 18 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.687 0.213 25135 15013 1 18 . 1 1 13 13 VAL H H 13 8.300 8.300 7.840 0.460 25135 15014 1 18 . 1 1 14 14 ILE N N 14 121.000 121.000 119.183 1.817 25135 15015 1 18 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.750 -0.280 25135 15016 1 18 . 1 1 14 14 ILE C C 14 177.700 177.700 178.138 -0.438 25135 15017 1 18 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.162 0.638 25135 15018 1 18 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.846 0.554 25135 15019 1 18 . 1 1 14 14 ILE H H 14 8.480 8.480 8.542 -0.062 25135 15020 1 18 . 1 1 15 15 HIS N N 15 118.900 118.900 118.497 0.403 25135 15021 1 18 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.503 -0.603 25135 15022 1 18 . 1 1 15 15 HIS C C 15 176.200 176.200 177.114 -0.914 25135 15023 1 18 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.088 2.212 25135 15024 1 18 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.288 -0.288 25135 15025 1 18 . 1 1 15 15 HIS H H 15 8.250 8.250 7.593 0.657 25135 15026 1 18 . 1 1 16 16 LYS N N 16 118.500 118.500 119.972 -1.472 25135 15027 1 18 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.683 -0.013 25135 15028 1 18 . 1 1 16 16 LYS C C 16 179.200 179.200 178.869 0.331 25135 15029 1 18 . 1 1 16 16 LYS CA C 16 59.500 59.500 59.108 0.393 25135 15030 1 18 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.216 0.284 25135 15031 1 18 . 1 1 16 16 LYS H H 16 7.820 7.820 8.160 -0.340 25135 15032 1 18 . 1 1 17 17 ARG N N 17 117.600 117.600 119.759 -2.159 25135 15033 1 18 . 1 1 17 17 ARG HA H 17 3.960 3.960 3.967 -0.007 25135 15034 1 18 . 1 1 17 17 ARG C C 17 180.600 180.600 178.498 2.102 25135 15035 1 18 . 1 1 17 17 ARG CA C 17 59.200 59.200 59.593 -0.393 25135 15036 1 18 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.122 0.378 25135 15037 1 18 . 1 1 17 17 ARG H H 17 8.330 8.330 8.780 -0.450 25135 15038 1 18 . 1 1 18 18 CYS N N 18 118.100 118.100 115.230 2.870 25135 15039 1 18 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.115 -0.225 25135 15040 1 18 . 1 1 18 18 CYS C C 18 177.300 177.300 176.492 0.808 25135 15041 1 18 . 1 1 18 18 CYS CA C 18 65.900 65.900 61.549 4.351 25135 15042 1 18 . 1 1 18 18 CYS CB C 18 27.600 27.600 27.559 0.041 25135 15043 1 18 . 1 1 18 18 CYS H H 18 8.550 8.550 7.548 1.002 25135 15044 1 18 . 1 1 19 19 GLU N N 19 117.900 117.900 119.566 -1.666 25135 15045 1 18 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.009 -0.199 25135 15046 1 18 . 1 1 19 19 GLU C C 19 177.100 177.100 177.889 -0.789 25135 15047 1 18 . 1 1 19 19 GLU CA C 19 58.300 58.300 59.059 -0.759 25135 15048 1 18 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.729 0.271 25135 15049 1 18 . 1 1 19 19 GLU H H 19 7.540 7.540 7.622 -0.082 25135 15050 1 18 . 1 1 20 20 GLU N N 20 115.400 115.400 114.983 0.417 25135 15051 1 18 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.346 -0.126 25135 15052 1 18 . 1 1 20 20 GLU C C 20 177.100 177.100 177.292 -0.192 25135 15053 1 18 . 1 1 20 20 GLU CA C 20 55.900 55.900 55.789 0.111 25135 15054 1 18 . 1 1 20 20 GLU CB C 20 30.600 30.600 29.994 0.606 25135 15055 1 18 . 1 1 20 20 GLU H H 20 7.190 7.190 7.532 -0.342 25135 15056 1 18 . 1 1 21 21 MET N N 21 120.500 120.500 120.187 0.313 25135 15057 1 18 . 1 1 21 21 MET HA H 21 4.260 4.260 4.202 0.058 25135 15058 1 18 . 1 1 21 21 MET C C 21 177.800 177.800 175.947 1.853 25135 15059 1 18 . 1 1 21 21 MET CA C 21 56.400 56.400 55.519 0.881 25135 15060 1 18 . 1 1 21 21 MET CB C 21 33.300 33.300 32.703 0.597 25135 15061 1 18 . 1 1 21 21 MET H H 21 6.940 6.940 7.448 -0.508 25135 15062 1 18 . 1 1 22 22 LYS N N 22 120.500 120.500 122.546 -2.046 25135 15063 1 18 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.323 -0.373 25135 15064 1 18 . 1 1 22 22 LYS C C 22 175.400 175.400 175.804 -0.404 25135 15065 1 18 . 1 1 22 22 LYS CA C 22 57.000 57.000 56.349 0.651 25135 15066 1 18 . 1 1 22 22 LYS CB C 22 33.600 33.600 32.755 0.845 25135 15067 1 18 . 1 1 22 22 LYS H H 22 8.760 8.760 8.762 -0.002 25135 15068 1 18 . 1 1 23 23 TYR N N 23 115.500 115.500 118.358 -2.858 25135 15069 1 18 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.616 0.294 25135 15070 1 18 . 1 1 23 23 TYR C C 23 173.700 173.700 174.547 -0.847 25135 15071 1 18 . 1 1 23 23 TYR CA C 23 55.000 55.000 57.553 -2.553 25135 15072 1 18 . 1 1 23 23 TYR CB C 23 41.900 41.900 41.627 0.273 25135 15073 1 18 . 1 1 23 23 TYR H H 23 7.260 7.260 7.463 -0.203 25135 15074 1 18 . 1 1 24 24 CYS N N 24 113.600 113.600 114.469 -0.869 25135 15075 1 18 . 1 1 24 24 CYS HA H 24 3.700 3.700 3.967 -0.267 25135 15076 1 18 . 1 1 24 24 CYS C C 24 174.700 174.700 175.081 -0.381 25135 15077 1 18 . 1 1 24 24 CYS CA C 24 60.400 60.400 59.951 0.449 25135 15078 1 18 . 1 1 24 24 CYS CB C 24 26.100 26.100 26.854 -0.754 25135 15079 1 18 . 1 1 24 24 CYS H H 24 8.720 8.720 8.836 -0.116 25135 15080 1 18 . 1 1 25 25 LYS N N 25 115.800 115.800 121.743 -5.943 25135 15081 1 18 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.890 -0.310 25135 15082 1 18 . 1 1 25 25 LYS C C 25 179.800 179.800 178.003 1.797 25135 15083 1 18 . 1 1 25 25 LYS CA C 25 60.700 60.700 59.756 0.944 25135 15084 1 18 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.232 1.068 25135 15085 1 18 . 1 1 25 25 LYS H H 25 8.050 8.050 8.601 -0.551 25135 15086 1 18 . 1 1 26 26 LYS N N 26 121.000 121.000 118.044 2.956 25135 15087 1 18 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.878 0.112 25135 15088 1 18 . 1 1 26 26 LYS C C 26 181.300 181.300 179.083 2.217 25135 15089 1 18 . 1 1 26 26 LYS CA C 26 59.000 59.000 59.862 -0.862 25135 15090 1 18 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.992 -1.592 25135 15091 1 18 . 1 1 26 26 LYS H H 26 10.600 10.600 8.290 2.311 25135 15092 1 18 . 1 1 27 27 GLN N N 27 120.500 120.500 118.366 2.134 25135 15093 1 18 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.297 -0.327 25135 15094 1 18 . 1 1 27 27 GLN C C 27 180.200 180.200 178.527 1.673 25135 15095 1 18 . 1 1 27 27 GLN CA C 27 59.300 59.300 59.458 -0.158 25135 15096 1 18 . 1 1 27 27 GLN CB C 27 32.100 32.100 28.760 3.340 25135 15097 1 18 . 1 1 27 27 GLN H H 27 9.890 9.890 8.203 1.687 25135 15098 1 18 . 1 1 28 28 CYS N N 28 118.800 118.800 118.564 0.236 25135 15099 1 18 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.729 0.481 25135 15100 1 18 . 1 1 28 28 CYS C C 28 176.200 176.200 176.332 -0.132 25135 15101 1 18 . 1 1 28 28 CYS CA C 28 64.300 64.300 64.118 0.182 25135 15102 1 18 . 1 1 28 28 CYS CB C 28 26.800 26.800 27.292 -0.492 25135 15103 1 18 . 1 1 28 28 CYS H H 28 8.550 8.550 8.859 -0.309 25135 15104 1 18 . 1 1 29 29 ARG N N 29 119.300 119.300 119.582 -0.282 25135 15105 1 18 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.773 0.097 25135 15106 1 18 . 1 1 29 29 ARG C C 29 178.900 178.900 178.395 0.505 25135 15107 1 18 . 1 1 29 29 ARG CA C 29 59.300 59.300 58.901 0.399 25135 15108 1 18 . 1 1 29 29 ARG CB C 29 29.200 29.200 28.938 0.262 25135 15109 1 18 . 1 1 29 29 ARG H H 29 8.700 8.700 8.490 0.210 25135 15110 1 18 . 1 1 30 30 ARG N N 30 119.700 119.700 119.471 0.229 25135 15111 1 18 . 1 1 30 30 ARG HA H 30 3.890 3.890 3.956 -0.066 25135 15112 1 18 . 1 1 30 30 ARG C C 30 178.000 178.000 178.423 -0.423 25135 15113 1 18 . 1 1 30 30 ARG CA C 30 58.200 58.200 59.193 -0.993 25135 15114 1 18 . 1 1 30 30 ARG CB C 30 29.100 29.100 29.996 -0.896 25135 15115 1 18 . 1 1 30 30 ARG H H 30 7.810 7.810 7.371 0.439 25135 15116 1 18 . 1 1 31 31 LEU N N 31 120.600 120.600 120.807 -0.207 25135 15117 1 18 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.478 0.562 25135 15118 1 18 . 1 1 31 31 LEU C C 31 178.400 178.400 177.991 0.409 25135 15119 1 18 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.821 0.479 25135 15120 1 18 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.258 -0.057 25135 15121 1 18 . 1 1 31 31 LEU H H 31 7.310 7.310 7.643 -0.333 25135 15122 1 18 . 1 1 32 32 GLY N N 32 105.200 105.200 105.186 0.014 25135 15123 1 18 . 1 1 32 32 GLY C C 32 175.600 175.600 176.020 -0.420 25135 15124 1 18 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.266 1.134 25135 15125 1 18 . 1 1 32 32 GLY H H 32 7.960 7.960 7.834 0.126 25135 15126 1 18 . 1 1 33 33 HIS N N 33 120.500 120.500 122.094 -1.594 25135 15127 1 18 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.141 0.089 25135 15128 1 18 . 1 1 33 33 HIS C C 33 179.400 179.400 178.203 1.197 25135 15129 1 18 . 1 1 33 33 HIS CA C 33 59.600 59.600 58.969 0.631 25135 15130 1 18 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.030 0.570 25135 15131 1 18 . 1 1 33 33 HIS H H 33 8.340 8.340 8.329 0.011 25135 15132 1 18 . 1 1 34 34 ARG N N 34 121.900 121.900 119.011 2.889 25135 15133 1 18 . 1 1 34 34 ARG HA H 34 3.870 3.870 4.098 -0.228 25135 15134 1 18 . 1 1 34 34 ARG C C 34 179.600 179.600 178.541 1.059 25135 15135 1 18 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.123 0.377 25135 15136 1 18 . 1 1 34 34 ARG CB C 34 30.100 30.100 29.932 0.168 25135 15137 1 18 . 1 1 34 34 ARG H H 34 8.680 8.680 8.562 0.118 25135 15138 1 18 . 1 1 35 35 VAL N N 35 118.500 118.500 120.873 -2.373 25135 15139 1 18 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.430 -0.020 25135 15140 1 18 . 1 1 35 35 VAL C C 35 177.600 177.600 178.407 -0.807 25135 15141 1 18 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.382 1.418 25135 15142 1 18 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.502 -0.202 25135 15143 1 18 . 1 1 35 35 VAL H H 35 8.500 8.500 8.114 0.386 25135 15144 1 18 . 1 1 36 36 LEU N N 36 118.300 118.300 120.202 -1.902 25135 15145 1 18 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.843 0.057 25135 15146 1 18 . 1 1 36 36 LEU C C 36 179.600 179.600 178.942 0.658 25135 15147 1 18 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.907 0.093 25135 15148 1 18 . 1 1 36 36 LEU CB C 36 41.400 41.400 40.862 0.538 25135 15149 1 18 . 1 1 36 36 LEU H H 36 7.890 7.890 8.828 -0.938 25135 15150 1 18 . 1 1 37 37 GLY N N 37 104.900 104.900 104.868 0.032 25135 15151 1 18 . 1 1 37 37 GLY C C 37 175.700 175.700 175.489 0.211 25135 15152 1 18 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.617 0.083 25135 15153 1 18 . 1 1 37 37 GLY H H 37 7.760 7.760 7.556 0.204 25135 15154 1 18 . 1 1 38 38 LEU N N 38 120.500 120.500 119.510 0.990 25135 15155 1 18 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.827 -0.237 25135 15156 1 18 . 1 1 38 38 LEU C C 38 176.900 176.900 178.007 -1.107 25135 15157 1 18 . 1 1 38 38 LEU CA C 38 56.500 56.500 55.878 0.622 25135 15158 1 18 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.391 -0.791 25135 15159 1 18 . 1 1 38 38 LEU H H 38 7.720 7.720 7.577 0.143 25135 15160 1 18 . 1 1 39 39 ILE N N 39 108.700 108.700 116.533 -7.833 25135 15161 1 18 . 1 1 39 39 ILE HA H 39 4.190 4.190 3.984 0.206 25135 15162 1 18 . 1 1 39 39 ILE C C 39 178.100 178.100 177.136 0.964 25135 15163 1 18 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.583 -0.883 25135 15164 1 18 . 1 1 39 39 ILE CB C 39 38.500 38.500 37.971 0.529 25135 15165 1 18 . 1 1 39 39 ILE H H 39 7.540 7.540 7.453 0.087 25135 15166 1 18 . 1 1 40 40 LYS N N 40 122.800 122.800 122.521 0.279 25135 15167 1 18 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.217 0.213 25135 15168 1 18 . 1 1 40 40 LYS CA C 40 60.700 60.700 59.769 0.931 25135 15169 1 18 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.328 0.072 25135 15170 1 18 . 1 1 40 40 LYS H H 40 7.600 7.600 8.396 -0.796 25135 15171 1 18 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.307 0.123 25135 15172 1 18 . 1 1 41 41 PRO C C 41 178.700 178.700 178.878 -0.178 25135 15173 1 18 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.800 -0.300 25135 15174 1 18 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.450 0.150 25135 15175 1 18 . 1 1 42 42 LEU N N 42 114.400 114.400 117.474 -3.074 25135 15176 1 18 . 1 1 42 42 LEU HA H 42 4.060 4.060 3.981 0.079 25135 15177 1 18 . 1 1 42 42 LEU C C 42 178.800 178.800 179.064 -0.264 25135 15178 1 18 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.709 -0.609 25135 15179 1 18 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.079 -0.779 25135 15180 1 18 . 1 1 42 42 LEU H H 42 7.200 7.200 7.742 -0.542 25135 15181 1 18 . 1 1 43 43 GLU N N 43 119.200 119.200 117.828 1.372 25135 15182 1 18 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.963 -0.043 25135 15183 1 18 . 1 1 43 43 GLU C C 43 179.100 179.100 178.657 0.443 25135 15184 1 18 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.479 0.021 25135 15185 1 18 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.390 0.710 25135 15186 1 18 . 1 1 43 43 GLU H H 43 8.120 8.120 8.074 0.046 25135 15187 1 18 . 1 1 44 44 MET N N 44 116.500 116.500 115.350 1.150 25135 15188 1 18 . 1 1 44 44 MET HA H 44 4.310 4.310 4.285 0.025 25135 15189 1 18 . 1 1 44 44 MET C C 44 177.900 177.900 177.323 0.577 25135 15190 1 18 . 1 1 44 44 MET CA C 44 57.600 57.600 57.511 0.089 25135 15191 1 18 . 1 1 44 44 MET CB C 44 32.500 32.500 32.980 -0.480 25135 15192 1 18 . 1 1 44 44 MET H H 44 7.600 7.600 7.571 0.029 25135 15193 1 18 . 1 1 45 45 LEU N N 45 119.900 119.900 117.702 2.198 25135 15194 1 18 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.280 -0.130 25135 15195 1 18 . 1 1 45 45 LEU C C 45 178.000 178.000 178.721 -0.721 25135 15196 1 18 . 1 1 45 45 LEU CA C 45 56.600 56.600 57.610 -1.010 25135 15197 1 18 . 1 1 45 45 LEU CB C 45 42.000 42.000 42.959 -0.959 25135 15198 1 18 . 1 1 45 45 LEU H H 45 7.620 7.620 7.846 -0.226 25135 15199 1 18 . 1 1 46 46 GLN N N 46 118.300 118.300 118.137 0.163 25135 15200 1 18 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.123 -0.103 25135 15201 1 18 . 1 1 46 46 GLN C C 46 176.500 176.500 178.175 -1.675 25135 15202 1 18 . 1 1 46 46 GLN CA C 46 57.700 57.700 58.167 -0.467 25135 15203 1 18 . 1 1 46 46 GLN CB C 46 29.500 29.500 27.873 1.627 25135 15204 1 18 . 1 1 46 46 GLN H H 46 7.950 7.950 8.591 -0.641 25135 15205 1 18 . 1 1 47 47 ASP N N 47 119.000 119.000 120.145 -1.145 25135 15206 1 18 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.353 0.217 25135 15207 1 18 . 1 1 47 47 ASP C C 47 176.900 176.900 178.175 -1.275 25135 15208 1 18 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.766 -1.466 25135 15209 1 18 . 1 1 47 47 ASP CB C 47 41.300 41.300 40.959 0.341 25135 15210 1 18 . 1 1 47 47 ASP H H 47 7.890 7.890 8.010 -0.120 25135 15211 1 18 . 1 1 48 48 GLN N N 48 119.500 119.500 116.672 2.828 25135 15212 1 18 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.110 0.120 25135 15213 1 18 . 1 1 48 48 GLN C C 48 177.200 177.200 177.299 -0.099 25135 15214 1 18 . 1 1 48 48 GLN CA C 48 56.700 56.700 56.842 -0.142 25135 15215 1 18 . 1 1 48 48 GLN CB C 48 29.300 29.300 28.686 0.614 25135 15216 1 18 . 1 1 48 48 GLN H H 48 8.080 8.080 7.852 0.228 25135 15217 1 18 . 1 1 49 49 GLY N N 49 108.100 108.100 109.100 -1.000 25135 15218 1 18 . 1 1 49 49 GLY C C 49 174.300 174.300 174.483 -0.183 25135 15219 1 18 . 1 1 49 49 GLY CA C 49 46.000 46.000 45.952 0.049 25135 15220 1 18 . 1 1 49 49 GLY H H 49 8.270 8.270 7.752 0.518 25135 15221 1 18 . 1 1 50 50 LYS N N 50 120.200 120.200 118.896 1.304 25135 15222 1 18 . 1 1 50 50 LYS HA H 50 4.320 4.320 4.230 0.090 25135 15223 1 18 . 1 1 50 50 LYS C C 50 176.400 176.400 176.854 -0.454 25135 15224 1 18 . 1 1 50 50 LYS CA C 50 56.500 56.500 56.977 -0.477 25135 15225 1 18 . 1 1 50 50 LYS CB C 50 32.900 32.900 33.716 -0.816 25135 15226 1 18 . 1 1 50 50 LYS H H 50 8.130 8.130 8.311 -0.181 25135 15227 1 18 . 1 1 51 51 ARG N N 51 121.300 121.300 118.656 2.644 25135 15228 1 18 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.447 0.013 25135 15229 1 18 . 1 1 51 51 ARG C C 51 176.100 176.100 173.799 2.301 25135 15230 1 18 . 1 1 51 51 ARG CA C 51 56.000 56.000 56.678 -0.678 25135 15231 1 18 . 1 1 51 51 ARG CB C 51 31.200 31.200 32.223 -1.023 25135 15232 1 18 . 1 1 51 51 ARG H H 51 8.260 8.260 8.053 0.207 25135 15233 1 18 . 1 1 52 52 SER N N 52 116.900 116.900 118.720 -1.820 25135 15234 1 18 . 1 1 52 52 SER HA H 52 4.550 4.550 4.839 -0.289 25135 15235 1 18 . 1 1 52 52 SER C C 52 173.900 173.900 173.148 0.752 25135 15236 1 18 . 1 1 52 52 SER CA C 52 57.800 57.800 57.666 0.134 25135 15237 1 18 . 1 1 52 52 SER CB C 52 64.300 64.300 64.193 0.107 25135 15238 1 18 . 1 1 52 52 SER H H 52 8.150 8.150 8.512 -0.362 25135 15239 1 18 . 1 1 53 53 VAL N N 53 124.300 124.300 125.499 -1.199 25135 15240 1 18 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.097 0.193 25135 15241 1 18 . 1 1 53 53 VAL CA C 53 60.400 60.400 60.731 -0.331 25135 15242 1 18 . 1 1 53 53 VAL CB C 53 32.500 32.500 32.872 -0.372 25135 15243 1 18 . 1 1 53 53 VAL H H 53 8.420 8.420 8.380 0.040 25135 15244 1 18 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.546 -0.056 25135 15245 1 18 . 1 1 54 54 PRO C C 54 176.600 176.600 176.155 0.445 25135 15246 1 18 . 1 1 54 54 PRO CA C 54 62.500 62.500 62.070 0.430 25135 15247 1 18 . 1 1 54 54 PRO CB C 54 32.600 32.600 30.174 2.426 25135 15248 1 18 . 1 1 55 55 SER N N 55 119.500 119.500 117.377 2.123 25135 15249 1 18 . 1 1 55 55 SER HA H 55 4.370 4.370 4.302 0.068 25135 15250 1 18 . 1 1 55 55 SER C C 55 175.500 175.500 176.011 -0.511 25135 15251 1 18 . 1 1 55 55 SER CA C 55 58.200 58.200 57.454 0.746 25135 15252 1 18 . 1 1 55 55 SER CB C 55 64.200 64.200 65.022 -0.822 25135 15253 1 18 . 1 1 55 55 SER H H 55 8.970 8.970 8.192 0.778 25135 15254 1 18 . 1 1 56 56 GLU N N 56 123.000 123.000 127.896 -4.896 25135 15255 1 18 . 1 1 56 56 GLU HA H 56 4.140 4.140 4.030 0.110 25135 15256 1 18 . 1 1 56 56 GLU C C 56 179.300 179.300 178.128 1.172 25135 15257 1 18 . 1 1 56 56 GLU CA C 56 59.700 59.700 59.859 -0.159 25135 15258 1 18 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.722 -0.522 25135 15259 1 18 . 1 1 56 56 GLU H H 56 9.030 9.030 8.983 0.047 25135 15260 1 18 . 1 1 57 57 LYS N N 57 118.900 118.900 118.594 0.306 25135 15261 1 18 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.127 -0.127 25135 15262 1 18 . 1 1 57 57 LYS C C 57 179.400 179.400 178.492 0.908 25135 15263 1 18 . 1 1 57 57 LYS CA C 57 59.600 59.600 58.926 0.674 25135 15264 1 18 . 1 1 57 57 LYS CB C 57 32.700 32.700 31.892 0.808 25135 15265 1 18 . 1 1 57 57 LYS H H 57 8.150 8.150 7.510 0.640 25135 15266 1 18 . 1 1 58 58 LEU N N 58 122.800 122.800 121.386 1.414 25135 15267 1 18 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.121 -0.021 25135 15268 1 18 . 1 1 58 58 LEU C C 58 178.200 178.200 178.616 -0.416 25135 15269 1 18 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.149 0.151 25135 15270 1 18 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.298 -0.798 25135 15271 1 18 . 1 1 58 58 LEU H H 58 8.420 8.420 7.867 0.553 25135 15272 1 18 . 1 1 59 59 THR N N 59 117.800 117.800 113.088 4.712 25135 15273 1 18 . 1 1 59 59 THR HA H 59 3.730 3.730 4.057 -0.327 25135 15274 1 18 . 1 1 59 59 THR C C 59 176.800 176.800 176.735 0.065 25135 15275 1 18 . 1 1 59 59 THR CA C 59 67.500 67.500 66.870 0.630 25135 15276 1 18 . 1 1 59 59 THR CB C 59 68.400 68.400 68.204 0.197 25135 15277 1 18 . 1 1 59 59 THR H H 59 8.600 8.600 8.441 0.159 25135 15278 1 18 . 1 1 60 60 THR N N 60 118.300 118.300 117.744 0.556 25135 15279 1 18 . 1 1 60 60 THR HA H 60 3.980 3.980 4.053 -0.073 25135 15280 1 18 . 1 1 60 60 THR C C 60 176.400 176.400 175.722 0.678 25135 15281 1 18 . 1 1 60 60 THR CA C 60 66.900 66.900 66.854 0.046 25135 15282 1 18 . 1 1 60 60 THR CB C 60 68.400 68.400 68.595 -0.195 25135 15283 1 18 . 1 1 60 60 THR H H 60 8.390 8.390 7.517 0.873 25135 15284 1 18 . 1 1 61 61 ALA N N 61 124.900 124.900 124.335 0.565 25135 15285 1 18 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.211 -0.091 25135 15286 1 18 . 1 1 61 61 ALA C C 61 180.000 180.000 179.725 0.275 25135 15287 1 18 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.341 0.459 25135 15288 1 18 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.272 0.528 25135 15289 1 18 . 1 1 61 61 ALA H H 61 8.090 8.090 7.699 0.391 25135 15290 1 18 . 1 1 62 62 MET N N 62 118.300 118.300 117.115 1.185 25135 15291 1 18 . 1 1 62 62 MET HA H 62 4.110 4.110 4.292 -0.182 25135 15292 1 18 . 1 1 62 62 MET C C 62 178.300 178.300 178.786 -0.486 25135 15293 1 18 . 1 1 62 62 MET CA C 62 59.600 59.600 59.626 -0.026 25135 15294 1 18 . 1 1 62 62 MET CB C 62 32.500 32.500 32.220 0.280 25135 15295 1 18 . 1 1 62 62 MET H H 62 8.820 8.820 8.631 0.189 25135 15296 1 18 . 1 1 63 63 ASN N N 63 119.500 119.500 119.151 0.349 25135 15297 1 18 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.553 0.027 25135 15298 1 18 . 1 1 63 63 ASN C C 63 179.000 179.000 177.561 1.439 25135 15299 1 18 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.566 -0.266 25135 15300 1 18 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.499 -0.799 25135 15301 1 18 . 1 1 63 63 ASN H H 63 8.320 8.320 8.578 -0.258 25135 15302 1 18 . 1 1 64 64 ARG N N 64 122.500 122.500 118.874 3.626 25135 15303 1 18 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.083 0.107 25135 15304 1 18 . 1 1 64 64 ARG C C 64 179.300 179.300 178.672 0.628 25135 15305 1 18 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.272 0.428 25135 15306 1 18 . 1 1 64 64 ARG CB C 64 30.700 30.700 29.652 1.048 25135 15307 1 18 . 1 1 64 64 ARG H H 64 8.560 8.560 8.456 0.104 25135 15308 1 18 . 1 1 65 65 PHE N N 65 123.100 123.100 123.426 -0.326 25135 15309 1 18 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.400 0.070 25135 15310 1 18 . 1 1 65 65 PHE C C 65 176.400 176.400 176.902 -0.502 25135 15311 1 18 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.072 1.528 25135 15312 1 18 . 1 1 65 65 PHE CB C 65 39.400 39.400 39.190 0.211 25135 15313 1 18 . 1 1 65 65 PHE H H 65 8.560 8.560 8.842 -0.282 25135 15314 1 18 . 1 1 66 66 LYS N N 66 119.800 119.800 119.931 -0.131 25135 15315 1 18 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.716 -0.096 25135 15316 1 18 . 1 1 66 66 LYS C C 66 177.600 177.600 178.790 -1.190 25135 15317 1 18 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.574 1.126 25135 15318 1 18 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.253 0.247 25135 15319 1 18 . 1 1 66 66 LYS H H 66 8.610 8.610 8.651 -0.041 25135 15320 1 18 . 1 1 67 67 ALA N N 67 119.000 119.000 121.432 -2.432 25135 15321 1 18 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.022 0.208 25135 15322 1 18 . 1 1 67 67 ALA C C 67 180.400 180.400 178.976 1.424 25135 15323 1 18 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.780 0.220 25135 15324 1 18 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.557 -0.557 25135 15325 1 18 . 1 1 67 67 ALA H H 67 8.000 8.000 8.499 -0.499 25135 15326 1 18 . 1 1 68 68 ALA N N 68 122.200 122.200 121.966 0.234 25135 15327 1 18 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.086 0.104 25135 15328 1 18 . 1 1 68 68 ALA C C 68 179.800 179.800 179.807 -0.007 25135 15329 1 18 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.838 0.362 25135 15330 1 18 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.278 -0.478 25135 15331 1 18 . 1 1 68 68 ALA H H 68 7.950 7.950 8.161 -0.211 25135 15332 1 18 . 1 1 69 69 LEU N N 69 118.900 118.900 119.145 -0.245 25135 15333 1 18 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.827 0.023 25135 15334 1 18 . 1 1 69 69 LEU C C 69 179.200 179.200 179.006 0.194 25135 15335 1 18 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.186 -0.686 25135 15336 1 18 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.539 -0.139 25135 15337 1 18 . 1 1 69 69 LEU H H 69 8.020 8.020 8.297 -0.277 25135 15338 1 18 . 1 1 70 70 GLU N N 70 120.500 120.500 117.785 2.715 25135 15339 1 18 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.835 0.105 25135 15340 1 18 . 1 1 70 70 GLU C C 70 180.500 180.500 179.040 1.460 25135 15341 1 18 . 1 1 70 70 GLU CA C 70 59.900 59.900 59.828 0.072 25135 15342 1 18 . 1 1 70 70 GLU CB C 70 29.200 29.200 28.898 0.302 25135 15343 1 18 . 1 1 70 70 GLU H H 70 8.590 8.590 7.752 0.838 25135 15344 1 18 . 1 1 71 71 GLU N N 71 122.200 122.200 118.974 3.226 25135 15345 1 18 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.086 -0.016 25135 15346 1 18 . 1 1 71 71 GLU C C 71 179.600 179.600 178.726 0.874 25135 15347 1 18 . 1 1 71 71 GLU CA C 71 59.400 59.400 59.119 0.281 25135 15348 1 18 . 1 1 71 71 GLU CB C 71 29.400 29.400 28.419 0.981 25135 15349 1 18 . 1 1 71 71 GLU H H 71 8.300 8.300 7.572 0.728 25135 15350 1 18 . 1 1 72 72 ALA N N 72 122.800 122.800 122.994 -0.194 25135 15351 1 18 . 1 1 72 72 ALA HA H 72 3.890 3.890 4.041 -0.151 25135 15352 1 18 . 1 1 72 72 ALA C C 72 178.500 178.500 180.041 -1.541 25135 15353 1 18 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.161 0.539 25135 15354 1 18 . 1 1 72 72 ALA CB C 72 17.200 17.200 18.049 -0.849 25135 15355 1 18 . 1 1 72 72 ALA H H 72 8.330 8.330 7.705 0.625 25135 15356 1 18 . 1 1 73 73 ASN N N 73 115.700 115.700 117.386 -1.686 25135 15357 1 18 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.345 0.105 25135 15358 1 18 . 1 1 73 73 ASN C C 73 177.600 177.600 177.995 -0.395 25135 15359 1 18 . 1 1 73 73 ASN CA C 73 56.300 56.300 56.089 0.211 25135 15360 1 18 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.148 0.752 25135 15361 1 18 . 1 1 73 73 ASN H H 73 8.460 8.460 8.616 -0.156 25135 15362 1 18 . 1 1 74 74 GLY N N 74 105.500 105.500 108.170 -2.670 25135 15363 1 18 . 1 1 74 74 GLY C C 74 177.100 177.100 176.308 0.792 25135 15364 1 18 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.940 0.060 25135 15365 1 18 . 1 1 74 74 GLY H H 74 8.070 8.070 8.590 -0.520 25135 15366 1 18 . 1 1 75 75 GLU N N 75 123.500 123.500 122.127 1.373 25135 15367 1 18 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.880 0.230 25135 15368 1 18 . 1 1 75 75 GLU C C 75 178.500 178.500 179.278 -0.778 25135 15369 1 18 . 1 1 75 75 GLU CA C 75 58.700 58.700 58.971 -0.271 25135 15370 1 18 . 1 1 75 75 GLU CB C 75 29.900 29.900 29.550 0.349 25135 15371 1 18 . 1 1 75 75 GLU H H 75 8.110 8.110 8.470 -0.360 25135 15372 1 18 . 1 1 76 76 ILE N N 76 120.300 120.300 118.994 1.306 25135 15373 1 18 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.989 -0.169 25135 15374 1 18 . 1 1 76 76 ILE C C 76 178.300 178.300 176.953 1.347 25135 15375 1 18 . 1 1 76 76 ILE CA C 76 65.500 65.500 64.669 0.831 25135 15376 1 18 . 1 1 76 76 ILE CB C 76 37.900 37.900 38.270 -0.370 25135 15377 1 18 . 1 1 76 76 ILE H H 76 8.330 8.330 8.191 0.139 25135 15378 1 18 . 1 1 77 77 GLU N N 77 119.400 119.400 118.704 0.696 25135 15379 1 18 . 1 1 77 77 GLU HA H 77 3.920 3.920 3.966 -0.046 25135 15380 1 18 . 1 1 77 77 GLU C C 77 180.200 180.200 179.085 1.115 25135 15381 1 18 . 1 1 77 77 GLU CA C 77 59.700 59.700 58.930 0.770 25135 15382 1 18 . 1 1 77 77 GLU CB C 77 29.300 29.300 29.934 -0.634 25135 15383 1 18 . 1 1 77 77 GLU H H 77 7.860 7.860 7.843 0.017 25135 15384 1 18 . 1 1 78 78 LYS N N 78 121.600 121.600 119.770 1.830 25135 15385 1 18 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.045 -0.145 25135 15386 1 18 . 1 1 78 78 LYS C C 78 179.200 179.200 178.314 0.886 25135 15387 1 18 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.347 1.553 25135 15388 1 18 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.246 0.054 25135 15389 1 18 . 1 1 78 78 LYS H H 78 7.760 7.760 8.341 -0.581 25135 15390 1 18 . 1 1 79 79 PHE N N 79 115.900 115.900 116.071 -0.171 25135 15391 1 18 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.634 0.046 25135 15392 1 18 . 1 1 79 79 PHE C C 79 174.100 174.100 176.134 -2.034 25135 15393 1 18 . 1 1 79 79 PHE CA C 79 58.200 58.200 56.983 1.217 25135 15394 1 18 . 1 1 79 79 PHE CB C 79 36.900 36.900 38.766 -1.866 25135 15395 1 18 . 1 1 79 79 PHE H H 79 8.170 8.170 7.394 0.776 25135 15396 1 18 . 1 1 80 80 SER N N 80 113.300 113.300 114.565 -1.265 25135 15397 1 18 . 1 1 80 80 SER HA H 80 4.500 4.500 4.254 0.246 25135 15398 1 18 . 1 1 80 80 SER C C 80 173.700 173.700 174.544 -0.844 25135 15399 1 18 . 1 1 80 80 SER CA C 80 60.500 60.500 61.055 -0.555 25135 15400 1 18 . 1 1 80 80 SER CB C 80 63.400 63.400 63.749 -0.349 25135 15401 1 18 . 1 1 80 80 SER H H 80 7.700 7.700 7.481 0.219 25135 15402 1 18 . 1 1 81 81 ASN N N 81 119.500 119.500 118.814 0.686 25135 15403 1 18 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.741 0.229 25135 15404 1 18 . 1 1 81 81 ASN CA C 81 52.100 52.100 52.776 -0.676 25135 15405 1 18 . 1 1 81 81 ASN CB C 81 40.300 40.300 38.946 1.354 25135 15406 1 18 . 1 1 81 81 ASN H H 81 7.290 7.290 7.944 -0.654 25135 15407 1 18 . 1 1 82 82 ARG N N 82 127.400 127.400 125.854 1.546 25135 15408 1 18 . 1 1 82 82 ARG HA H 82 3.590 3.590 2.955 0.635 25135 15409 1 18 . 1 1 82 82 ARG C C 82 177.700 177.700 176.893 0.807 25135 15410 1 18 . 1 1 82 82 ARG CA C 82 59.800 59.800 59.619 0.181 25135 15411 1 18 . 1 1 82 82 ARG CB C 82 30.100 30.100 29.087 1.013 25135 15412 1 18 . 1 1 82 82 ARG H H 82 9.050 9.050 8.662 0.388 25135 15413 1 18 . 1 1 83 83 SER N N 83 114.600 114.600 114.368 0.232 25135 15414 1 18 . 1 1 83 83 SER HA H 83 3.930 3.930 4.173 -0.242 25135 15415 1 18 . 1 1 83 83 SER C C 83 177.100 177.100 176.515 0.585 25135 15416 1 18 . 1 1 83 83 SER CA C 83 62.200 62.200 61.364 0.836 25135 15417 1 18 . 1 1 83 83 SER CB C 83 62.000 62.000 62.203 -0.203 25135 15418 1 18 . 1 1 83 83 SER H H 83 8.390 8.390 8.478 -0.088 25135 15419 1 18 . 1 1 84 84 ASN N N 84 119.700 119.700 119.809 -0.109 25135 15420 1 18 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.694 -0.094 25135 15421 1 18 . 1 1 84 84 ASN C C 84 179.100 179.100 177.154 1.946 25135 15422 1 18 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.531 -0.131 25135 15423 1 18 . 1 1 84 84 ASN CB C 84 37.600 37.600 38.520 -0.920 25135 15424 1 18 . 1 1 84 84 ASN H H 84 7.980 7.980 7.991 -0.011 25135 15425 1 18 . 1 1 85 85 ILE N N 85 122.100 122.100 122.152 -0.052 25135 15426 1 18 . 1 1 85 85 ILE HA H 85 3.820 3.820 4.113 -0.293 25135 15427 1 18 . 1 1 85 85 ILE C C 85 176.900 176.900 177.447 -0.547 25135 15428 1 18 . 1 1 85 85 ILE CA C 85 64.700 64.700 64.289 0.411 25135 15429 1 18 . 1 1 85 85 ILE CB C 85 37.400 37.400 37.166 0.234 25135 15430 1 18 . 1 1 85 85 ILE H H 85 7.760 7.760 7.078 0.682 25135 15431 1 18 . 1 1 86 86 CYS N N 86 119.200 119.200 117.338 1.862 25135 15432 1 18 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.442 0.498 25135 15433 1 18 . 1 1 86 86 CYS C C 86 177.400 177.400 177.391 0.009 25135 15434 1 18 . 1 1 86 86 CYS CA C 86 63.800 63.800 62.938 0.862 25135 15435 1 18 . 1 1 86 86 CYS CB C 86 26.900 26.900 26.131 0.769 25135 15436 1 18 . 1 1 86 86 CYS H H 86 8.330 8.330 8.156 0.174 25135 15437 1 18 . 1 1 87 87 ARG N N 87 119.200 119.200 118.999 0.201 25135 15438 1 18 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.213 -0.193 25135 15439 1 18 . 1 1 87 87 ARG C C 87 178.500 178.500 178.560 -0.060 25135 15440 1 18 . 1 1 87 87 ARG CA C 87 59.500 59.500 59.356 0.144 25135 15441 1 18 . 1 1 87 87 ARG CB C 87 30.300 30.300 30.296 0.004 25135 15442 1 18 . 1 1 87 87 ARG H H 87 7.900 7.900 7.429 0.471 25135 15443 1 18 . 1 1 88 88 PHE N N 88 120.300 120.300 121.600 -1.300 25135 15444 1 18 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.338 -0.118 25135 15445 1 18 . 1 1 88 88 PHE C C 88 177.200 177.200 177.166 0.034 25135 15446 1 18 . 1 1 88 88 PHE CA C 88 61.500 61.500 60.520 0.980 25135 15447 1 18 . 1 1 88 88 PHE CB C 88 39.800 39.800 38.686 1.114 25135 15448 1 18 . 1 1 88 88 PHE H H 88 7.760 7.760 7.822 -0.062 25135 15449 1 18 . 1 1 89 89 LEU N N 89 117.900 117.900 119.231 -1.331 25135 15450 1 18 . 1 1 89 89 LEU HA H 89 3.640 3.640 2.972 0.668 25135 15451 1 18 . 1 1 89 89 LEU C C 89 178.700 178.700 178.543 0.157 25135 15452 1 18 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.460 -0.060 25135 15453 1 18 . 1 1 89 89 LEU CB C 89 41.600 41.600 40.580 1.020 25135 15454 1 18 . 1 1 89 89 LEU H H 89 8.590 8.590 8.109 0.481 25135 15455 1 18 . 1 1 90 90 THR N N 90 112.000 112.000 112.120 -0.120 25135 15456 1 18 . 1 1 90 90 THR HA H 90 3.980 3.980 4.067 -0.087 25135 15457 1 18 . 1 1 90 90 THR C C 90 174.900 174.900 176.669 -1.769 25135 15458 1 18 . 1 1 90 90 THR CA C 90 65.200 65.200 65.022 0.178 25135 15459 1 18 . 1 1 90 90 THR CB C 90 69.300 69.300 69.389 -0.089 25135 15460 1 18 . 1 1 90 90 THR H H 90 7.690 7.690 7.480 0.210 25135 15461 1 18 . 1 1 91 91 ALA N N 91 122.400 122.400 122.035 0.365 25135 15462 1 18 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.236 0.034 25135 15463 1 18 . 1 1 91 91 ALA C C 91 177.500 177.500 177.404 0.096 25135 15464 1 18 . 1 1 91 91 ALA CA C 91 53.000 53.000 53.200 -0.200 25135 15465 1 18 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.009 0.990 25135 15466 1 18 . 1 1 91 91 ALA H H 91 7.220 7.220 7.999 -0.779 25135 15467 1 18 . 1 1 92 92 SER N N 92 112.900 112.900 112.800 0.100 25135 15468 1 18 . 1 1 92 92 SER HA H 92 4.130 4.130 4.237 -0.107 25135 15469 1 18 . 1 1 92 92 SER CA C 92 57.600 57.600 59.114 -1.514 25135 15470 1 18 . 1 1 92 92 SER CB C 92 64.000 64.000 61.699 2.301 25135 15471 1 18 . 1 1 92 92 SER H H 92 7.510 7.510 8.017 -0.507 25135 15472 1 18 . 1 1 93 93 GLN N N 93 125.700 125.700 122.114 3.586 25135 15473 1 18 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.304 -0.104 25135 15474 1 18 . 1 1 93 93 GLN C C 93 176.700 176.700 176.376 0.324 25135 15475 1 18 . 1 1 93 93 GLN CA C 93 57.700 57.700 58.379 -0.679 25135 15476 1 18 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.378 -0.378 25135 15477 1 18 . 1 1 93 93 GLN H H 93 8.710 8.710 8.566 0.144 25135 15478 1 18 . 1 1 94 94 ASP N N 94 116.400 116.400 117.031 -0.631 25135 15479 1 18 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.910 -0.350 25135 15480 1 18 . 1 1 94 94 ASP CA C 94 54.000 54.000 53.988 0.012 25135 15481 1 18 . 1 1 94 94 ASP CB C 94 41.700 41.700 42.205 -0.505 25135 15482 1 18 . 1 1 94 94 ASP H H 94 7.800 7.800 8.686 -0.886 25135 15483 1 18 . 1 1 95 95 LYS N N 95 114.300 114.300 115.077 -0.777 25135 15484 1 18 . 1 1 95 95 LYS H H 95 8.290 8.290 8.669 -0.379 25135 15485 1 18 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.447 -0.127 25135 15486 1 18 . 1 1 96 96 ILE C C 96 177.000 177.000 176.913 0.087 25135 15487 1 18 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.888 0.912 25135 15488 1 18 . 1 1 96 96 ILE CB C 96 38.100 38.100 39.808 -1.708 25135 15489 1 18 . 1 1 97 97 LEU N N 97 131.100 131.100 127.607 3.493 25135 15490 1 18 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.629 -0.509 25135 15491 1 18 . 1 1 97 97 LEU C C 97 177.200 177.200 177.341 -0.141 25135 15492 1 18 . 1 1 97 97 LEU CA C 97 58.000 58.000 58.556 -0.556 25135 15493 1 18 . 1 1 97 97 LEU CB C 97 42.900 42.900 41.676 1.224 25135 15494 1 18 . 1 1 97 97 LEU H H 97 8.620 8.620 9.007 -0.387 25135 15495 1 18 . 1 1 98 98 PHE N N 98 113.600 113.600 111.304 2.296 25135 15496 1 18 . 1 1 98 98 PHE HA H 98 5.100 5.100 5.017 0.083 25135 15497 1 18 . 1 1 98 98 PHE C C 98 175.400 175.400 175.534 -0.134 25135 15498 1 18 . 1 1 98 98 PHE CA C 98 55.700 55.700 53.923 1.777 25135 15499 1 18 . 1 1 98 98 PHE CB C 98 37.600 37.600 37.208 0.392 25135 15500 1 18 . 1 1 98 98 PHE H H 98 8.450 8.450 8.033 0.417 25135 15501 1 18 . 1 1 99 99 LYS N N 99 119.500 119.500 124.052 -4.552 25135 15502 1 18 . 1 1 99 99 LYS HA H 99 3.880 3.880 3.790 0.090 25135 15503 1 18 . 1 1 99 99 LYS C C 99 178.900 178.900 177.930 0.970 25135 15504 1 18 . 1 1 99 99 LYS CA C 99 61.100 61.100 60.033 1.067 25135 15505 1 18 . 1 1 99 99 LYS CB C 99 33.500 33.500 32.392 1.108 25135 15506 1 18 . 1 1 99 99 LYS H H 99 6.790 6.790 7.327 -0.537 25135 15507 1 18 . 1 1 100 100 ASP N N 100 117.800 117.800 118.653 -0.853 25135 15508 1 18 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.393 0.217 25135 15509 1 18 . 1 1 100 100 ASP C C 100 179.000 179.000 178.208 0.792 25135 15510 1 18 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.211 0.589 25135 15511 1 18 . 1 1 100 100 ASP CB C 100 40.400 40.400 40.395 0.005 25135 15512 1 18 . 1 1 100 100 ASP H H 100 8.520 8.520 8.581 -0.061 25135 15513 1 18 . 1 1 101 101 VAL N N 101 122.600 122.600 118.815 3.785 25135 15514 1 18 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.766 0.094 25135 15515 1 18 . 1 1 101 101 VAL C C 101 177.100 177.100 178.121 -1.021 25135 15516 1 18 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.869 -1.169 25135 15517 1 18 . 1 1 101 101 VAL CB C 101 32.300 32.300 31.851 0.449 25135 15518 1 18 . 1 1 101 101 VAL H H 101 8.210 8.210 7.957 0.253 25135 15519 1 18 . 1 1 102 102 ASN N N 102 121.000 121.000 117.695 3.305 25135 15520 1 18 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.796 -0.236 25135 15521 1 18 . 1 1 102 102 ASN C C 102 178.500 178.500 177.901 0.599 25135 15522 1 18 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.481 -0.281 25135 15523 1 18 . 1 1 102 102 ASN CB C 102 37.900 37.900 38.262 -0.362 25135 15524 1 18 . 1 1 102 102 ASN H H 102 9.060 9.060 8.634 0.426 25135 15525 1 18 . 1 1 103 103 ARG N N 103 120.700 120.700 119.429 1.271 25135 15526 1 18 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.258 -0.098 25135 15527 1 18 . 1 1 103 103 ARG C C 103 177.900 177.900 178.207 -0.307 25135 15528 1 18 . 1 1 103 103 ARG CA C 103 59.100 59.100 59.278 -0.178 25135 15529 1 18 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.857 -0.957 25135 15530 1 18 . 1 1 103 103 ARG H H 103 7.640 7.640 8.168 -0.528 25135 15531 1 18 . 1 1 104 104 LYS N N 104 119.700 119.700 120.827 -1.127 25135 15532 1 18 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.283 -0.093 25135 15533 1 18 . 1 1 104 104 LYS C C 104 179.300 179.300 178.779 0.521 25135 15534 1 18 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.310 0.790 25135 15535 1 18 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.842 -0.342 25135 15536 1 18 . 1 1 104 104 LYS H H 104 7.960 7.960 8.258 -0.298 25135 15537 1 18 . 1 1 105 105 LEU N N 105 118.200 118.200 121.189 -2.989 25135 15538 1 18 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.219 -0.179 25135 15539 1 18 . 1 1 105 105 LEU C C 105 178.400 178.400 178.400 0.000 25135 15540 1 18 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.342 0.158 25135 15541 1 18 . 1 1 105 105 LEU CB C 105 42.500 42.500 42.058 0.442 25135 15542 1 18 . 1 1 105 105 LEU H H 105 8.990 8.990 9.043 -0.053 25135 15543 1 18 . 1 1 106 106 SER N N 106 111.700 111.700 115.166 -3.466 25135 15544 1 18 . 1 1 106 106 SER HA H 106 3.870 3.870 4.452 -0.582 25135 15545 1 18 . 1 1 106 106 SER C C 106 177.500 177.500 176.492 1.008 25135 15546 1 18 . 1 1 106 106 SER CA C 106 61.400 61.400 61.546 -0.146 25135 15547 1 18 . 1 1 106 106 SER CB C 106 62.600 62.600 62.784 -0.184 25135 15548 1 18 . 1 1 106 106 SER H H 106 7.980 7.980 7.908 0.072 25135 15549 1 18 . 1 1 107 107 ASP N N 107 122.000 122.000 122.985 -0.985 25135 15550 1 18 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.381 0.059 25135 15551 1 18 . 1 1 107 107 ASP C C 107 179.700 179.700 178.484 1.216 25135 15552 1 18 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.226 0.674 25135 15553 1 18 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.248 0.352 25135 15554 1 18 . 1 1 107 107 ASP H H 107 8.500 8.500 7.693 0.807 25135 15555 1 18 . 1 1 108 108 VAL N N 108 119.200 119.200 119.607 -0.407 25135 15556 1 18 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.810 0.200 25135 15557 1 18 . 1 1 108 108 VAL C C 108 178.400 178.400 177.597 0.803 25135 15558 1 18 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.079 -0.479 25135 15559 1 18 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.084 0.416 25135 15560 1 18 . 1 1 108 108 VAL H H 108 8.830 8.830 7.801 1.029 25135 15561 1 18 . 1 1 109 109 TRP N N 109 121.900 121.900 121.256 0.644 25135 15562 1 18 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.857 0.413 25135 15563 1 18 . 1 1 109 109 TRP C C 109 178.000 178.000 177.776 0.224 25135 15564 1 18 . 1 1 109 109 TRP CA C 109 60.100 60.100 59.790 0.310 25135 15565 1 18 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.367 0.333 25135 15566 1 18 . 1 1 109 109 TRP H H 109 8.710 8.710 7.778 0.932 25135 15567 1 18 . 1 1 110 110 LYS N N 110 119.500 119.500 118.542 0.958 25135 15568 1 18 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.654 -0.024 25135 15569 1 18 . 1 1 110 110 LYS C C 110 178.000 178.000 178.928 -0.928 25135 15570 1 18 . 1 1 110 110 LYS CA C 110 60.500 60.500 60.277 0.223 25135 15571 1 18 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.037 0.163 25135 15572 1 18 . 1 1 110 110 LYS H H 110 8.010 8.010 7.646 0.364 25135 15573 1 18 . 1 1 111 111 GLU N N 111 116.700 116.700 119.030 -2.330 25135 15574 1 18 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.098 -0.088 25135 15575 1 18 . 1 1 111 111 GLU C C 111 178.400 178.400 179.111 -0.711 25135 15576 1 18 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.672 0.128 25135 15577 1 18 . 1 1 111 111 GLU CB C 111 30.400 30.400 29.832 0.568 25135 15578 1 18 . 1 1 111 111 GLU H H 111 7.000 7.000 7.916 -0.916 25135 15579 1 18 . 1 1 112 112 LEU N N 112 119.000 119.000 121.238 -2.238 25135 15580 1 18 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.225 -0.485 25135 15581 1 18 . 1 1 112 112 LEU C C 112 177.600 177.600 177.763 -0.163 25135 15582 1 18 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.170 0.630 25135 15583 1 18 . 1 1 112 112 LEU CB C 112 42.200 42.200 42.043 0.157 25135 15584 1 18 . 1 1 112 112 LEU H H 112 8.380 8.380 8.145 0.235 25135 15585 1 18 . 1 1 113 113 SER N N 113 113.100 113.100 115.004 -1.904 25135 15586 1 18 . 1 1 113 113 SER HA H 113 3.190 3.190 3.511 -0.321 25135 15587 1 18 . 1 1 113 113 SER C C 113 176.300 176.300 176.122 0.178 25135 15588 1 18 . 1 1 113 113 SER CA C 113 61.600 61.600 61.306 0.294 25135 15589 1 18 . 1 1 113 113 SER CB C 113 61.800 61.800 61.939 -0.139 25135 15590 1 18 . 1 1 113 113 SER H H 113 8.490 8.490 7.953 0.537 25135 15591 1 18 . 1 1 114 114 LEU N N 114 121.500 121.500 120.909 0.591 25135 15592 1 18 . 1 1 114 114 LEU HA H 114 4.020 4.020 3.939 0.081 25135 15593 1 18 . 1 1 114 114 LEU C C 114 179.100 179.100 178.073 1.027 25135 15594 1 18 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.957 0.043 25135 15595 1 18 . 1 1 114 114 LEU CB C 114 41.800 41.800 41.300 0.500 25135 15596 1 18 . 1 1 114 114 LEU H H 114 6.810 6.810 7.205 -0.395 25135 15597 1 18 . 1 1 115 115 LEU N N 115 118.200 118.200 118.814 -0.614 25135 15598 1 18 . 1 1 115 115 LEU HA H 115 4.060 4.060 3.875 0.185 25135 15599 1 18 . 1 1 115 115 LEU C C 115 179.600 179.600 179.222 0.378 25135 15600 1 18 . 1 1 115 115 LEU CA C 115 57.700 57.700 57.487 0.213 25135 15601 1 18 . 1 1 115 115 LEU CB C 115 43.100 43.100 41.569 1.531 25135 15602 1 18 . 1 1 115 115 LEU H H 115 7.270 7.270 7.202 0.068 25135 15603 1 18 . 1 1 116 116 LEU N N 116 118.700 118.700 119.868 -1.168 25135 15604 1 18 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.890 -0.040 25135 15605 1 18 . 1 1 116 116 LEU C C 116 179.300 179.300 179.474 -0.174 25135 15606 1 18 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.011 -0.411 25135 15607 1 18 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.659 -0.259 25135 15608 1 18 . 1 1 116 116 LEU H H 116 8.440 8.440 8.232 0.208 25135 15609 1 18 . 1 1 117 117 GLN N N 117 119.500 119.500 117.101 2.399 25135 15610 1 18 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.196 0.144 25135 15611 1 18 . 1 1 117 117 GLN C C 117 178.200 178.200 178.375 -0.175 25135 15612 1 18 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.791 0.009 25135 15613 1 18 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.674 0.126 25135 15614 1 18 . 1 1 117 117 GLN H H 117 8.030 8.030 8.335 -0.305 25135 15615 1 18 . 1 1 118 118 VAL N N 118 117.600 117.600 119.329 -1.729 25135 15616 1 18 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.829 0.011 25135 15617 1 18 . 1 1 118 118 VAL C C 118 177.900 177.900 177.885 0.015 25135 15618 1 18 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.455 -0.055 25135 15619 1 18 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.582 1.318 25135 15620 1 18 . 1 1 118 118 VAL H H 118 8.110 8.110 7.523 0.587 25135 15621 1 18 . 1 1 119 119 GLU N N 119 116.900 116.900 118.346 -1.446 25135 15622 1 18 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.099 0.211 25135 15623 1 18 . 1 1 119 119 GLU C C 119 177.700 177.700 179.249 -1.549 25135 15624 1 18 . 1 1 119 119 GLU CA C 119 58.400 58.400 58.719 -0.319 25135 15625 1 18 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.524 1.176 25135 15626 1 18 . 1 1 119 119 GLU H H 119 8.620 8.620 8.448 0.172 25135 15627 1 18 . 1 1 120 120 GLN N N 120 113.300 113.300 116.754 -3.454 25135 15628 1 18 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.329 0.121 25135 15629 1 18 . 1 1 120 120 GLN C C 120 174.700 174.700 176.339 -1.639 25135 15630 1 18 . 1 1 120 120 GLN CA C 120 54.500 54.500 56.310 -1.810 25135 15631 1 18 . 1 1 120 120 GLN CB C 120 28.600 28.600 29.576 -0.976 25135 15632 1 18 . 1 1 120 120 GLN H H 120 7.350 7.350 8.080 -0.730 25135 15633 1 18 . 1 1 121 121 ARG N N 121 114.800 114.800 114.418 0.382 25135 15634 1 18 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.161 -0.041 25135 15635 1 18 . 1 1 121 121 ARG C C 121 175.600 175.600 175.801 -0.201 25135 15636 1 18 . 1 1 121 121 ARG CA C 121 56.600 56.600 57.071 -0.471 25135 15637 1 18 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.361 0.339 25135 15638 1 18 . 1 1 121 121 ARG H H 121 7.410 7.410 7.808 -0.398 25135 15639 1 18 . 1 1 122 122 MET N N 122 120.300 120.300 117.925 2.375 25135 15640 1 18 . 1 1 122 122 MET HA H 122 4.600 4.600 4.832 -0.232 25135 15641 1 18 . 1 1 122 122 MET CA C 122 53.700 53.700 53.611 0.089 25135 15642 1 18 . 1 1 122 122 MET CB C 122 34.700 34.700 32.652 2.048 25135 15643 1 18 . 1 1 122 122 MET H H 122 7.760 7.760 7.510 0.250 25135 15644 1 18 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.532 -0.052 25135 15645 1 18 . 1 1 123 123 PRO C C 123 176.300 176.300 175.491 0.809 25135 15646 1 18 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.382 -0.582 25135 15647 1 18 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.777 -0.477 25135 15648 1 18 . 1 1 124 124 VAL N N 124 120.000 120.000 123.367 -3.367 25135 15649 1 18 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.441 -0.361 25135 15650 1 18 . 1 1 124 124 VAL C C 124 175.800 175.800 175.206 0.594 25135 15651 1 18 . 1 1 124 124 VAL CA C 124 61.700 61.700 60.396 1.304 25135 15652 1 18 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.480 -1.380 25135 15653 1 18 . 1 1 124 124 VAL H H 124 8.080 8.080 8.273 -0.193 25135 15654 1 18 . 1 1 125 125 SER N N 125 121.200 121.200 119.211 1.989 25135 15655 1 18 . 1 1 125 125 SER HA H 125 4.800 4.800 4.941 -0.141 25135 15656 1 18 . 1 1 125 125 SER CA C 125 56.200 56.200 56.101 0.099 25135 15657 1 18 . 1 1 125 125 SER CB C 125 63.700 63.700 64.200 -0.500 25135 15658 1 18 . 1 1 125 125 SER H H 125 8.380 8.380 8.330 0.050 25135 15659 1 18 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.355 0.125 25135 15660 1 18 . 1 1 126 126 PRO C C 126 177.100 177.100 177.207 -0.107 25135 15661 1 18 . 1 1 126 126 PRO CA C 126 63.400 63.400 63.827 -0.427 25135 15662 1 18 . 1 1 126 126 PRO CB C 126 31.900 31.900 30.346 1.554 25135 15663 1 18 . 1 1 127 127 ILE N N 127 119.900 119.900 119.110 0.790 25135 15664 1 18 . 1 1 127 127 ILE HA H 127 4.140 4.140 3.986 0.154 25135 15665 1 18 . 1 1 127 127 ILE C C 127 176.300 176.300 176.749 -0.449 25135 15666 1 18 . 1 1 127 127 ILE CA C 127 61.300 61.300 64.235 -2.935 25135 15667 1 18 . 1 1 127 127 ILE CB C 127 38.800 38.800 36.748 2.052 25135 15668 1 18 . 1 1 127 127 ILE H H 127 8.050 8.050 9.096 -1.046 25135 15669 1 18 . 1 1 128 128 SER N N 128 119.000 119.000 113.886 5.114 25135 15670 1 18 . 1 1 128 128 SER HA H 128 4.400 4.400 4.192 0.208 25135 15671 1 18 . 1 1 128 128 SER C C 128 174.600 174.600 174.106 0.494 25135 15672 1 18 . 1 1 128 128 SER CA C 128 58.300 58.300 60.080 -1.780 25135 15673 1 18 . 1 1 128 128 SER CB C 128 63.600 63.600 62.589 1.011 25135 15674 1 18 . 1 1 128 128 SER H H 128 8.230 8.230 8.590 -0.360 25135 15675 1 18 . 1 1 129 129 GLN N N 129 122.600 122.600 119.160 3.440 25135 15676 1 18 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.565 -0.335 25135 15677 1 18 . 1 1 129 129 GLN C C 129 176.200 176.200 175.302 0.898 25135 15678 1 18 . 1 1 129 129 GLN CA C 129 56.300 56.300 54.480 1.820 25135 15679 1 18 . 1 1 129 129 GLN CB C 129 29.100 29.100 29.943 -0.843 25135 15680 1 18 . 1 1 129 129 GLN H H 129 8.340 8.340 8.069 0.271 25135 15681 1 18 . 1 1 130 130 GLY N N 130 109.200 109.200 106.979 2.221 25135 15682 1 18 . 1 1 130 130 GLY C C 130 175.100 175.100 174.711 0.389 25135 15683 1 18 . 1 1 130 130 GLY CA C 130 45.200 45.200 45.411 -0.211 25135 15684 1 18 . 1 1 130 130 GLY H H 130 8.150 8.150 8.330 -0.180 25135 15685 1 18 . 1 1 131 131 ALA N N 131 124.700 124.700 123.353 1.347 25135 15686 1 18 . 1 1 131 131 ALA HA H 131 4.230 4.230 3.086 1.144 25135 15687 1 18 . 1 1 131 131 ALA C C 131 178.700 178.700 177.172 1.528 25135 15688 1 18 . 1 1 131 131 ALA CA C 131 53.800 53.800 51.622 2.178 25135 15689 1 18 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.272 0.628 25135 15690 1 18 . 1 1 131 131 ALA H H 131 8.070 8.070 8.381 -0.311 25135 15691 1 18 . 1 1 132 132 SER N N 132 113.200 113.200 115.144 -1.944 25135 15692 1 18 . 1 1 132 132 SER HA H 132 4.580 4.580 4.518 0.062 25135 15693 1 18 . 1 1 132 132 SER C C 132 175.700 175.700 175.084 0.616 25135 15694 1 18 . 1 1 132 132 SER CA C 132 58.500 58.500 58.463 0.037 25135 15695 1 18 . 1 1 132 132 SER CB C 132 63.800 63.800 62.212 1.588 25135 15696 1 18 . 1 1 132 132 SER H H 132 8.340 8.340 8.194 0.146 25135 15697 1 18 . 1 1 133 133 TRP N N 133 122.800 122.800 122.823 -0.023 25135 15698 1 18 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.388 0.142 25135 15699 1 18 . 1 1 133 133 TRP C C 133 178.200 178.200 178.115 0.085 25135 15700 1 18 . 1 1 133 133 TRP CA C 133 58.900 58.900 59.524 -0.624 25135 15701 1 18 . 1 1 133 133 TRP CB C 133 29.200 29.200 26.947 2.253 25135 15702 1 18 . 1 1 133 133 TRP H H 133 8.380 8.380 7.300 1.080 25135 15703 1 18 . 1 1 134 134 ALA N N 134 120.600 120.600 120.799 -0.199 25135 15704 1 18 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.955 0.295 25135 15705 1 18 . 1 1 134 134 ALA C C 134 180.700 180.700 180.181 0.519 25135 15706 1 18 . 1 1 134 134 ALA CA C 134 55.700 55.700 54.964 0.736 25135 15707 1 18 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.803 0.197 25135 15708 1 18 . 1 1 134 134 ALA H H 134 8.420 8.420 8.384 0.036 25135 15709 1 18 . 1 1 135 135 GLN N N 135 118.900 118.900 117.748 1.152 25135 15710 1 18 . 1 1 135 135 GLN HA H 135 4.100 4.100 4.045 0.055 25135 15711 1 18 . 1 1 135 135 GLN C C 135 179.200 179.200 178.766 0.434 25135 15712 1 18 . 1 1 135 135 GLN CA C 135 59.000 59.000 59.043 -0.043 25135 15713 1 18 . 1 1 135 135 GLN CB C 135 28.500 28.500 28.706 -0.206 25135 15714 1 18 . 1 1 135 135 GLN H H 135 7.860 7.860 7.882 -0.022 25135 15715 1 18 . 1 1 136 136 GLU N N 136 120.900 120.900 119.069 1.831 25135 15716 1 18 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.197 -0.377 25135 15717 1 18 . 1 1 136 136 GLU C C 136 177.800 177.800 179.120 -1.320 25135 15718 1 18 . 1 1 136 136 GLU CA C 136 59.000 59.000 58.705 0.295 25135 15719 1 18 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.319 0.681 25135 15720 1 18 . 1 1 136 136 GLU H H 136 7.720 7.720 8.085 -0.365 25135 15721 1 18 . 1 1 137 137 ASP N N 137 118.200 118.200 120.608 -2.408 25135 15722 1 18 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.375 0.085 25135 15723 1 18 . 1 1 137 137 ASP C C 137 178.100 178.100 178.628 -0.528 25135 15724 1 18 . 1 1 137 137 ASP CA C 137 57.200 57.200 57.634 -0.434 25135 15725 1 18 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.314 -0.214 25135 15726 1 18 . 1 1 137 137 ASP H H 137 8.800 8.800 8.819 -0.019 25135 15727 1 18 . 1 1 138 138 GLN N N 138 116.900 116.900 118.366 -1.466 25135 15728 1 18 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.145 -0.265 25135 15729 1 18 . 1 1 138 138 GLN C C 138 178.400 178.400 178.164 0.236 25135 15730 1 18 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.454 0.446 25135 15731 1 18 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.276 0.424 25135 15732 1 18 . 1 1 138 138 GLN H H 138 7.510 7.510 7.609 -0.099 25135 15733 1 18 . 1 1 139 139 GLN N N 139 119.500 119.500 119.781 -0.281 25135 15734 1 18 . 1 1 139 139 GLN HA H 139 4.110 4.110 4.033 0.077 25135 15735 1 18 . 1 1 139 139 GLN C C 139 178.900 178.900 178.833 0.067 25135 15736 1 18 . 1 1 139 139 GLN CA C 139 58.900 58.900 59.231 -0.331 25135 15737 1 18 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.634 -0.034 25135 15738 1 18 . 1 1 139 139 GLN H H 139 7.520 7.520 7.674 -0.154 25135 15739 1 18 . 1 1 140 140 ASP N N 140 121.700 121.700 119.098 2.602 25135 15740 1 18 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.562 -0.542 25135 15741 1 18 . 1 1 140 140 ASP C C 140 177.700 177.700 177.725 -0.025 25135 15742 1 18 . 1 1 140 140 ASP CA C 140 57.300 57.300 57.086 0.214 25135 15743 1 18 . 1 1 140 140 ASP CB C 140 40.700 40.700 40.888 -0.188 25135 15744 1 18 . 1 1 140 140 ASP H H 140 9.130 9.130 8.624 0.506 25135 15745 1 18 . 1 1 141 141 ALA N N 141 121.000 121.000 123.809 -2.809 25135 15746 1 18 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.131 0.119 25135 15747 1 18 . 1 1 141 141 ALA C C 141 180.800 180.800 178.734 2.066 25135 15748 1 18 . 1 1 141 141 ALA CA C 141 55.400 55.400 54.996 0.404 25135 15749 1 18 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.508 0.993 25135 15750 1 18 . 1 1 141 141 ALA H H 141 8.720 8.720 7.660 1.060 25135 15751 1 18 . 1 1 142 142 ASP N N 142 119.100 119.100 118.016 1.084 25135 15752 1 18 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.326 0.104 25135 15753 1 18 . 1 1 142 142 ASP C C 142 178.600 178.600 178.757 -0.157 25135 15754 1 18 . 1 1 142 142 ASP CA C 142 57.600 57.600 58.264 -0.665 25135 15755 1 18 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.812 0.488 25135 15756 1 18 . 1 1 142 142 ASP H H 142 7.850 7.850 8.650 -0.800 25135 15757 1 18 . 1 1 143 143 GLU N N 143 119.500 119.500 118.140 1.360 25135 15758 1 18 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.194 -0.164 25135 15759 1 18 . 1 1 143 143 GLU C C 143 180.100 180.100 178.747 1.353 25135 15760 1 18 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.910 0.790 25135 15761 1 18 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.738 -0.139 25135 15762 1 18 . 1 1 143 143 GLU H H 143 7.860 7.860 7.661 0.199 25135 15763 1 18 . 1 1 144 144 ASP N N 144 121.000 121.000 121.157 -0.157 25135 15764 1 18 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.359 0.291 25135 15765 1 18 . 1 1 144 144 ASP C C 144 179.500 179.500 178.368 1.132 25135 15766 1 18 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.682 -0.182 25135 15767 1 18 . 1 1 144 144 ASP CB C 144 41.100 41.100 40.531 0.569 25135 15768 1 18 . 1 1 144 144 ASP H H 144 8.840 8.840 8.234 0.606 25135 15769 1 18 . 1 1 145 145 ARG N N 145 121.400 121.400 118.531 2.869 25135 15770 1 18 . 1 1 145 145 ARG HA H 145 4.130 4.130 4.359 -0.229 25135 15771 1 18 . 1 1 145 145 ARG C C 145 178.700 178.700 178.965 -0.265 25135 15772 1 18 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.360 0.140 25135 15773 1 18 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.907 -0.307 25135 15774 1 18 . 1 1 145 145 ARG H H 145 8.510 8.510 8.119 0.391 25135 15775 1 18 . 1 1 146 146 ARG N N 146 119.400 119.400 119.514 -0.114 25135 15776 1 18 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.089 0.021 25135 15777 1 18 . 1 1 146 146 ARG C C 146 178.400 178.400 178.544 -0.144 25135 15778 1 18 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.838 0.562 25135 15779 1 18 . 1 1 146 146 ARG CB C 146 30.200 30.200 29.652 0.548 25135 15780 1 18 . 1 1 146 146 ARG H H 146 7.680 7.680 7.840 -0.160 25135 15781 1 18 . 1 1 147 147 ALA N N 147 120.300 120.300 123.107 -2.807 25135 15782 1 18 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.286 0.024 25135 15783 1 18 . 1 1 147 147 ALA C C 147 179.500 179.500 179.340 0.160 25135 15784 1 18 . 1 1 147 147 ALA CA C 147 54.100 54.100 54.925 -0.826 25135 15785 1 18 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.569 0.531 25135 15786 1 18 . 1 1 147 147 ALA H H 147 7.840 7.840 8.042 -0.202 25135 15787 1 18 . 1 1 148 148 PHE N N 148 119.900 119.900 118.518 1.382 25135 15788 1 18 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.330 0.060 25135 15789 1 18 . 1 1 148 148 PHE C C 148 176.900 176.900 177.172 -0.272 25135 15790 1 18 . 1 1 148 148 PHE CA C 148 60.500 60.500 59.112 1.388 25135 15791 1 18 . 1 1 148 148 PHE CB C 148 39.700 39.700 38.540 1.160 25135 15792 1 18 . 1 1 148 148 PHE H H 148 8.210 8.210 8.250 -0.040 25135 15793 1 18 . 1 1 149 149 GLN N N 149 118.500 118.500 119.545 -1.045 25135 15794 1 18 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.429 0.701 25135 15795 1 18 . 1 1 149 149 GLN C C 149 176.400 176.400 177.000 -0.600 25135 15796 1 18 . 1 1 149 149 GLN CA C 149 56.900 56.900 57.756 -0.856 25135 15797 1 18 . 1 1 149 149 GLN CB C 149 28.900 28.900 28.345 0.555 25135 15798 1 18 . 1 1 149 149 GLN H H 149 7.960 7.960 7.928 0.032 25135 15799 1 18 . 1 1 150 150 MET N N 150 118.000 118.000 114.471 3.529 25135 15800 1 18 . 1 1 150 150 MET HA H 150 4.360 4.360 4.521 -0.161 25135 15801 1 18 . 1 1 150 150 MET C C 150 176.300 176.300 175.327 0.973 25135 15802 1 18 . 1 1 150 150 MET CA C 150 56.000 56.000 55.494 0.506 25135 15803 1 18 . 1 1 150 150 MET CB C 150 32.800 32.800 35.667 -2.867 25135 15804 1 18 . 1 1 150 150 MET H H 150 7.760 7.760 7.435 0.325 25135 15805 1 18 . 1 1 151 151 LEU N N 151 121.200 121.200 120.575 0.625 25135 15806 1 18 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.127 0.143 25135 15807 1 18 . 1 1 151 151 LEU C C 151 177.100 177.100 176.589 0.511 25135 15808 1 18 . 1 1 151 151 LEU CA C 151 55.400 55.400 55.878 -0.478 25135 15809 1 18 . 1 1 151 151 LEU CB C 151 42.300 42.300 40.884 1.416 25135 15810 1 18 . 1 1 151 151 LEU H H 151 7.690 7.690 8.044 -0.354 25135 15811 1 18 . 1 1 152 152 ARG N N 152 121.800 121.800 122.706 -0.906 25135 15812 1 18 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.348 -0.108 25135 15813 1 18 . 1 1 152 152 ARG C C 152 176.000 176.000 176.594 -0.594 25135 15814 1 18 . 1 1 152 152 ARG CA C 152 56.200 56.200 56.562 -0.362 25135 15815 1 18 . 1 1 152 152 ARG CB C 152 30.900 30.900 31.000 -0.101 25135 15816 1 18 . 1 1 152 152 ARG H H 152 8.120 8.120 8.576 -0.456 25135 15817 1 18 . 1 1 153 153 ARG N N 153 123.100 123.100 119.657 3.443 25135 15818 1 18 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.401 -0.041 25135 15819 1 18 . 1 1 153 153 ARG C C 153 174.900 174.900 174.638 0.262 25135 15820 1 18 . 1 1 153 153 ARG CA C 153 56.000 56.000 56.350 -0.350 25135 15821 1 18 . 1 1 153 153 ARG CB C 153 31.000 31.000 29.798 1.202 25135 15822 1 18 . 1 1 153 153 ARG H H 153 8.380 8.380 8.048 0.332 25135 15823 1 19 . 1 1 2 2 GLU N N 2 120.000 120.000 121.081 -1.081 25135 15824 1 19 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.261 -0.281 25135 15825 1 19 . 1 1 2 2 GLU C C 2 178.400 178.400 177.451 0.949 25135 15826 1 19 . 1 1 2 2 GLU CA C 2 59.400 59.400 58.513 0.887 25135 15827 1 19 . 1 1 2 2 GLU CB C 2 29.200 29.200 30.148 -0.948 25135 15828 1 19 . 1 1 2 2 GLU H H 2 8.140 8.140 8.723 -0.583 25135 15829 1 19 . 1 1 3 3 ASN N N 3 117.300 117.300 116.170 1.130 25135 15830 1 19 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.729 -0.089 25135 15831 1 19 . 1 1 3 3 ASN C C 3 177.900 177.900 176.686 1.214 25135 15832 1 19 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.516 1.284 25135 15833 1 19 . 1 1 3 3 ASN CB C 3 39.000 39.000 38.323 0.677 25135 15834 1 19 . 1 1 3 3 ASN H H 3 7.960 7.960 8.705 -0.745 25135 15835 1 19 . 1 1 4 4 LEU N N 4 119.700 119.700 121.442 -1.742 25135 15836 1 19 . 1 1 4 4 LEU HA H 4 4.030 4.030 4.028 0.002 25135 15837 1 19 . 1 1 4 4 LEU C C 4 177.900 177.900 178.093 -0.193 25135 15838 1 19 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.705 -0.305 25135 15839 1 19 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.803 0.197 25135 15840 1 19 . 1 1 4 4 LEU H H 4 8.450 8.450 8.366 0.084 25135 15841 1 19 . 1 1 5 5 LYS N N 5 118.200 118.200 115.607 2.593 25135 15842 1 19 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.060 -0.120 25135 15843 1 19 . 1 1 5 5 LYS C C 5 179.200 179.200 179.033 0.167 25135 15844 1 19 . 1 1 5 5 LYS CA C 5 60.000 60.000 58.566 1.434 25135 15845 1 19 . 1 1 5 5 LYS CB C 5 31.900 31.900 31.515 0.385 25135 15846 1 19 . 1 1 5 5 LYS H H 5 7.940 7.940 8.551 -0.611 25135 15847 1 19 . 1 1 6 6 HIS N N 6 118.400 118.400 119.557 -1.157 25135 15848 1 19 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.519 -0.099 25135 15849 1 19 . 1 1 6 6 HIS C C 6 178.200 178.200 177.645 0.555 25135 15850 1 19 . 1 1 6 6 HIS CA C 6 59.100 59.100 58.536 0.564 25135 15851 1 19 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.230 0.670 25135 15852 1 19 . 1 1 6 6 HIS H H 6 7.710 7.710 7.812 -0.102 25135 15853 1 19 . 1 1 7 7 ILE N N 7 120.300 120.300 121.415 -1.115 25135 15854 1 19 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.473 -0.033 25135 15855 1 19 . 1 1 7 7 ILE C C 7 176.500 176.500 177.496 -0.996 25135 15856 1 19 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.585 0.415 25135 15857 1 19 . 1 1 7 7 ILE CB C 7 38.700 38.700 37.945 0.755 25135 15858 1 19 . 1 1 7 7 ILE H H 7 7.950 7.950 8.283 -0.333 25135 15859 1 19 . 1 1 8 8 ILE N N 8 120.200 120.200 119.704 0.496 25135 15860 1 19 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.440 0.140 25135 15861 1 19 . 1 1 8 8 ILE C C 8 178.000 178.000 177.824 0.176 25135 15862 1 19 . 1 1 8 8 ILE CA C 8 65.800 65.800 66.007 -0.207 25135 15863 1 19 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.584 1.016 25135 15864 1 19 . 1 1 8 8 ILE H H 8 8.450 8.450 8.892 -0.442 25135 15865 1 19 . 1 1 9 9 THR N N 9 115.400 115.400 114.655 0.745 25135 15866 1 19 . 1 1 9 9 THR HA H 9 3.880 3.880 3.942 -0.062 25135 15867 1 19 . 1 1 9 9 THR C C 9 176.300 176.300 176.625 -0.325 25135 15868 1 19 . 1 1 9 9 THR CA C 9 66.900 66.900 66.356 0.544 25135 15869 1 19 . 1 1 9 9 THR CB C 9 68.800 68.800 68.897 -0.097 25135 15870 1 19 . 1 1 9 9 THR H H 9 8.120 8.120 7.460 0.660 25135 15871 1 19 . 1 1 10 10 LEU N N 10 122.100 122.100 121.683 0.417 25135 15872 1 19 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.094 -0.044 25135 15873 1 19 . 1 1 10 10 LEU C C 10 178.800 178.800 178.270 0.530 25135 15874 1 19 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.786 1.114 25135 15875 1 19 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.207 1.093 25135 15876 1 19 . 1 1 10 10 LEU H H 10 7.950 7.950 7.501 0.449 25135 15877 1 19 . 1 1 11 11 GLY N N 11 105.800 105.800 105.375 0.425 25135 15878 1 19 . 1 1 11 11 GLY C C 11 174.700 174.700 176.077 -1.377 25135 15879 1 19 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.149 0.351 25135 15880 1 19 . 1 1 11 11 GLY H H 11 8.660 8.660 8.518 0.142 25135 15881 1 19 . 1 1 12 12 GLN N N 12 119.600 119.600 119.624 -0.024 25135 15882 1 19 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.388 -0.398 25135 15883 1 19 . 1 1 12 12 GLN C C 12 179.600 179.600 178.665 0.935 25135 15884 1 19 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.461 1.839 25135 15885 1 19 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.477 -0.577 25135 15886 1 19 . 1 1 12 12 GLN H H 12 8.050 8.050 7.401 0.649 25135 15887 1 19 . 1 1 13 13 VAL N N 13 122.600 122.600 122.402 0.198 25135 15888 1 19 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.607 0.063 25135 15889 1 19 . 1 1 13 13 VAL C C 13 178.500 178.500 177.886 0.614 25135 15890 1 19 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.820 -0.120 25135 15891 1 19 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.468 0.432 25135 15892 1 19 . 1 1 13 13 VAL H H 13 8.300 8.300 7.960 0.340 25135 15893 1 19 . 1 1 14 14 ILE N N 14 121.000 121.000 119.488 1.512 25135 15894 1 19 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.780 -0.310 25135 15895 1 19 . 1 1 14 14 ILE C C 14 177.700 177.700 178.143 -0.443 25135 15896 1 19 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.174 0.626 25135 15897 1 19 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.817 0.583 25135 15898 1 19 . 1 1 14 14 ILE H H 14 8.480 8.480 8.525 -0.045 25135 15899 1 19 . 1 1 15 15 HIS N N 15 118.900 118.900 118.296 0.604 25135 15900 1 19 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.442 -0.542 25135 15901 1 19 . 1 1 15 15 HIS C C 15 176.200 176.200 177.027 -0.827 25135 15902 1 19 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.067 2.233 25135 15903 1 19 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.225 -0.225 25135 15904 1 19 . 1 1 15 15 HIS H H 15 8.250 8.250 7.581 0.669 25135 15905 1 19 . 1 1 16 16 LYS N N 16 118.500 118.500 119.979 -1.479 25135 15906 1 19 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.702 -0.032 25135 15907 1 19 . 1 1 16 16 LYS C C 16 179.200 179.200 178.760 0.440 25135 15908 1 19 . 1 1 16 16 LYS CA C 16 59.500 59.500 59.091 0.409 25135 15909 1 19 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.197 0.303 25135 15910 1 19 . 1 1 16 16 LYS H H 16 7.820 7.820 8.129 -0.309 25135 15911 1 19 . 1 1 17 17 ARG N N 17 117.600 117.600 120.093 -2.493 25135 15912 1 19 . 1 1 17 17 ARG HA H 17 3.960 3.960 4.018 -0.058 25135 15913 1 19 . 1 1 17 17 ARG C C 17 180.600 180.600 178.447 2.153 25135 15914 1 19 . 1 1 17 17 ARG CA C 17 59.200 59.200 59.797 -0.597 25135 15915 1 19 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.316 0.184 25135 15916 1 19 . 1 1 17 17 ARG H H 17 8.330 8.330 8.828 -0.498 25135 15917 1 19 . 1 1 18 18 CYS N N 18 118.100 118.100 115.018 3.082 25135 15918 1 19 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.186 -0.296 25135 15919 1 19 . 1 1 18 18 CYS C C 18 177.300 177.300 176.289 1.011 25135 15920 1 19 . 1 1 18 18 CYS CA C 18 65.900 65.900 60.977 4.923 25135 15921 1 19 . 1 1 18 18 CYS CB C 18 27.600 27.600 27.523 0.077 25135 15922 1 19 . 1 1 18 18 CYS H H 18 8.550 8.550 7.590 0.960 25135 15923 1 19 . 1 1 19 19 GLU N N 19 117.900 117.900 119.108 -1.208 25135 15924 1 19 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.036 -0.226 25135 15925 1 19 . 1 1 19 19 GLU C C 19 177.100 177.100 177.747 -0.647 25135 15926 1 19 . 1 1 19 19 GLU CA C 19 58.300 58.300 58.596 -0.296 25135 15927 1 19 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.426 0.574 25135 15928 1 19 . 1 1 19 19 GLU H H 19 7.540 7.540 7.429 0.111 25135 15929 1 19 . 1 1 20 20 GLU N N 20 115.400 115.400 116.089 -0.689 25135 15930 1 19 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.258 -0.038 25135 15931 1 19 . 1 1 20 20 GLU C C 20 177.100 177.100 177.660 -0.560 25135 15932 1 19 . 1 1 20 20 GLU CA C 20 55.900 55.900 56.703 -0.803 25135 15933 1 19 . 1 1 20 20 GLU CB C 20 30.600 30.600 30.325 0.275 25135 15934 1 19 . 1 1 20 20 GLU H H 20 7.190 7.190 7.574 -0.384 25135 15935 1 19 . 1 1 21 21 MET N N 21 120.500 120.500 119.129 1.371 25135 15936 1 19 . 1 1 21 21 MET HA H 21 4.260 4.260 4.203 0.057 25135 15937 1 19 . 1 1 21 21 MET C C 21 177.800 177.800 176.790 1.010 25135 15938 1 19 . 1 1 21 21 MET CA C 21 56.400 56.400 56.258 0.142 25135 15939 1 19 . 1 1 21 21 MET CB C 21 33.300 33.300 32.496 0.804 25135 15940 1 19 . 1 1 21 21 MET H H 21 6.940 6.940 7.878 -0.938 25135 15941 1 19 . 1 1 22 22 LYS N N 22 120.500 120.500 123.077 -2.577 25135 15942 1 19 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.317 -0.367 25135 15943 1 19 . 1 1 22 22 LYS C C 22 175.400 175.400 175.629 -0.229 25135 15944 1 19 . 1 1 22 22 LYS CA C 22 57.000 57.000 56.439 0.561 25135 15945 1 19 . 1 1 22 22 LYS CB C 22 33.600 33.600 33.279 0.321 25135 15946 1 19 . 1 1 22 22 LYS H H 22 8.760 8.760 8.789 -0.029 25135 15947 1 19 . 1 1 23 23 TYR N N 23 115.500 115.500 118.256 -2.756 25135 15948 1 19 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.589 0.321 25135 15949 1 19 . 1 1 23 23 TYR C C 23 173.700 173.700 175.029 -1.329 25135 15950 1 19 . 1 1 23 23 TYR CA C 23 55.000 55.000 57.574 -2.574 25135 15951 1 19 . 1 1 23 23 TYR CB C 23 41.900 41.900 40.981 0.919 25135 15952 1 19 . 1 1 23 23 TYR H H 23 7.260 7.260 7.606 -0.346 25135 15953 1 19 . 1 1 24 24 CYS N N 24 113.600 113.600 119.539 -5.939 25135 15954 1 19 . 1 1 24 24 CYS HA H 24 3.700 3.700 4.220 -0.520 25135 15955 1 19 . 1 1 24 24 CYS C C 24 174.700 174.700 175.864 -1.164 25135 15956 1 19 . 1 1 24 24 CYS CA C 24 60.400 60.400 58.850 1.550 25135 15957 1 19 . 1 1 24 24 CYS CB C 24 26.100 26.100 25.532 0.568 25135 15958 1 19 . 1 1 24 24 CYS H H 24 8.720 8.720 9.189 -0.469 25135 15959 1 19 . 1 1 25 25 LYS N N 25 115.800 115.800 119.699 -3.899 25135 15960 1 19 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.908 -0.328 25135 15961 1 19 . 1 1 25 25 LYS C C 25 179.800 179.800 178.514 1.286 25135 15962 1 19 . 1 1 25 25 LYS CA C 25 60.700 60.700 59.465 1.235 25135 15963 1 19 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.474 0.827 25135 15964 1 19 . 1 1 25 25 LYS H H 25 8.050 8.050 8.524 -0.474 25135 15965 1 19 . 1 1 26 26 LYS N N 26 121.000 121.000 118.710 2.290 25135 15966 1 19 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.874 0.116 25135 15967 1 19 . 1 1 26 26 LYS C C 26 181.300 181.300 179.053 2.247 25135 15968 1 19 . 1 1 26 26 LYS CA C 26 59.000 59.000 59.159 -0.159 25135 15969 1 19 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.150 -0.750 25135 15970 1 19 . 1 1 26 26 LYS H H 26 10.600 10.600 8.459 2.141 25135 15971 1 19 . 1 1 27 27 GLN N N 27 120.500 120.500 119.438 1.062 25135 15972 1 19 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.354 -0.384 25135 15973 1 19 . 1 1 27 27 GLN C C 27 180.200 180.200 178.367 1.833 25135 15974 1 19 . 1 1 27 27 GLN CA C 27 59.300 59.300 59.353 -0.053 25135 15975 1 19 . 1 1 27 27 GLN CB C 27 32.100 32.100 29.147 2.953 25135 15976 1 19 . 1 1 27 27 GLN H H 27 9.890 9.890 8.078 1.812 25135 15977 1 19 . 1 1 28 28 CYS N N 28 118.800 118.800 118.115 0.685 25135 15978 1 19 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.558 0.652 25135 15979 1 19 . 1 1 28 28 CYS C C 28 176.200 176.200 176.539 -0.339 25135 15980 1 19 . 1 1 28 28 CYS CA C 28 64.300 64.300 61.675 2.625 25135 15981 1 19 . 1 1 28 28 CYS CB C 28 26.800 26.800 28.294 -1.494 25135 15982 1 19 . 1 1 28 28 CYS H H 28 8.550 8.550 8.157 0.393 25135 15983 1 19 . 1 1 29 29 ARG N N 29 119.300 119.300 121.166 -1.866 25135 15984 1 19 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.888 -0.018 25135 15985 1 19 . 1 1 29 29 ARG C C 29 178.900 178.900 178.440 0.460 25135 15986 1 19 . 1 1 29 29 ARG CA C 29 59.300 59.300 59.012 0.288 25135 15987 1 19 . 1 1 29 29 ARG CB C 29 29.200 29.200 29.139 0.061 25135 15988 1 19 . 1 1 29 29 ARG H H 29 8.700 8.700 8.805 -0.105 25135 15989 1 19 . 1 1 30 30 ARG N N 30 119.700 119.700 119.249 0.451 25135 15990 1 19 . 1 1 30 30 ARG HA H 30 3.890 3.890 4.094 -0.204 25135 15991 1 19 . 1 1 30 30 ARG C C 30 178.000 178.000 178.280 -0.280 25135 15992 1 19 . 1 1 30 30 ARG CA C 30 58.200 58.200 59.047 -0.847 25135 15993 1 19 . 1 1 30 30 ARG CB C 30 29.100 29.100 30.012 -0.912 25135 15994 1 19 . 1 1 30 30 ARG H H 30 7.810 7.810 7.425 0.385 25135 15995 1 19 . 1 1 31 31 LEU N N 31 120.600 120.600 121.195 -0.595 25135 15996 1 19 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.704 0.336 25135 15997 1 19 . 1 1 31 31 LEU C C 31 178.400 178.400 178.166 0.234 25135 15998 1 19 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.791 0.509 25135 15999 1 19 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.445 -0.245 25135 16000 1 19 . 1 1 31 31 LEU H H 31 7.310 7.310 7.407 -0.097 25135 16001 1 19 . 1 1 32 32 GLY N N 32 105.200 105.200 105.095 0.105 25135 16002 1 19 . 1 1 32 32 GLY C C 32 175.600 175.600 175.755 -0.155 25135 16003 1 19 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.083 1.317 25135 16004 1 19 . 1 1 32 32 GLY H H 32 7.960 7.960 7.900 0.060 25135 16005 1 19 . 1 1 33 33 HIS N N 33 120.500 120.500 122.617 -2.117 25135 16006 1 19 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.169 0.061 25135 16007 1 19 . 1 1 33 33 HIS C C 33 179.400 179.400 177.997 1.403 25135 16008 1 19 . 1 1 33 33 HIS CA C 33 59.600 59.600 59.873 -0.273 25135 16009 1 19 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.168 0.432 25135 16010 1 19 . 1 1 33 33 HIS H H 33 8.340 8.340 7.900 0.440 25135 16011 1 19 . 1 1 34 34 ARG N N 34 121.900 121.900 118.751 3.149 25135 16012 1 19 . 1 1 34 34 ARG HA H 34 3.870 3.870 3.980 -0.110 25135 16013 1 19 . 1 1 34 34 ARG C C 34 179.600 179.600 178.563 1.037 25135 16014 1 19 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.454 0.046 25135 16015 1 19 . 1 1 34 34 ARG CB C 34 30.100 30.100 29.746 0.354 25135 16016 1 19 . 1 1 34 34 ARG H H 34 8.680 8.680 8.651 0.029 25135 16017 1 19 . 1 1 35 35 VAL N N 35 118.500 118.500 120.656 -2.156 25135 16018 1 19 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.519 -0.109 25135 16019 1 19 . 1 1 35 35 VAL C C 35 177.600 177.600 177.697 -0.097 25135 16020 1 19 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.501 1.299 25135 16021 1 19 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.387 -0.087 25135 16022 1 19 . 1 1 35 35 VAL H H 35 8.500 8.500 7.669 0.831 25135 16023 1 19 . 1 1 36 36 LEU N N 36 118.300 118.300 119.419 -1.119 25135 16024 1 19 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.723 0.177 25135 16025 1 19 . 1 1 36 36 LEU C C 36 179.600 179.600 179.126 0.474 25135 16026 1 19 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.905 0.095 25135 16027 1 19 . 1 1 36 36 LEU CB C 36 41.400 41.400 40.968 0.432 25135 16028 1 19 . 1 1 36 36 LEU H H 36 7.890 7.890 8.715 -0.825 25135 16029 1 19 . 1 1 37 37 GLY N N 37 104.900 104.900 105.060 -0.160 25135 16030 1 19 . 1 1 37 37 GLY C C 37 175.700 175.700 175.260 0.440 25135 16031 1 19 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.745 -0.045 25135 16032 1 19 . 1 1 37 37 GLY H H 37 7.760 7.760 7.582 0.178 25135 16033 1 19 . 1 1 38 38 LEU N N 38 120.500 120.500 119.822 0.678 25135 16034 1 19 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.770 -0.180 25135 16035 1 19 . 1 1 38 38 LEU C C 38 176.900 176.900 178.122 -1.222 25135 16036 1 19 . 1 1 38 38 LEU CA C 38 56.500 56.500 56.263 0.237 25135 16037 1 19 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.330 -0.730 25135 16038 1 19 . 1 1 38 38 LEU H H 38 7.720 7.720 7.466 0.254 25135 16039 1 19 . 1 1 39 39 ILE N N 39 108.700 108.700 116.860 -8.160 25135 16040 1 19 . 1 1 39 39 ILE HA H 39 4.190 4.190 3.938 0.252 25135 16041 1 19 . 1 1 39 39 ILE C C 39 178.100 178.100 177.142 0.958 25135 16042 1 19 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.953 -1.253 25135 16043 1 19 . 1 1 39 39 ILE CB C 39 38.500 38.500 38.033 0.467 25135 16044 1 19 . 1 1 39 39 ILE H H 39 7.540 7.540 7.670 -0.130 25135 16045 1 19 . 1 1 40 40 LYS N N 40 122.800 122.800 121.887 0.913 25135 16046 1 19 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.114 0.316 25135 16047 1 19 . 1 1 40 40 LYS CA C 40 60.700 60.700 60.201 0.499 25135 16048 1 19 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.434 -0.034 25135 16049 1 19 . 1 1 40 40 LYS H H 40 7.600 7.600 8.461 -0.861 25135 16050 1 19 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.306 0.124 25135 16051 1 19 . 1 1 41 41 PRO C C 41 178.700 178.700 179.370 -0.670 25135 16052 1 19 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.715 -0.215 25135 16053 1 19 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.433 0.167 25135 16054 1 19 . 1 1 42 42 LEU N N 42 114.400 114.400 118.459 -4.059 25135 16055 1 19 . 1 1 42 42 LEU HA H 42 4.060 4.060 3.965 0.095 25135 16056 1 19 . 1 1 42 42 LEU C C 42 178.800 178.800 178.881 -0.081 25135 16057 1 19 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.860 -0.760 25135 16058 1 19 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.018 -0.718 25135 16059 1 19 . 1 1 42 42 LEU H H 42 7.200 7.200 7.703 -0.503 25135 16060 1 19 . 1 1 43 43 GLU N N 43 119.200 119.200 118.628 0.572 25135 16061 1 19 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.960 -0.040 25135 16062 1 19 . 1 1 43 43 GLU C C 43 179.100 179.100 178.837 0.263 25135 16063 1 19 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.692 -0.192 25135 16064 1 19 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.293 0.807 25135 16065 1 19 . 1 1 43 43 GLU H H 43 8.120 8.120 8.020 0.100 25135 16066 1 19 . 1 1 44 44 MET N N 44 116.500 116.500 116.028 0.472 25135 16067 1 19 . 1 1 44 44 MET HA H 44 4.310 4.310 4.276 0.034 25135 16068 1 19 . 1 1 44 44 MET C C 44 177.900 177.900 177.599 0.301 25135 16069 1 19 . 1 1 44 44 MET CA C 44 57.600 57.600 57.909 -0.309 25135 16070 1 19 . 1 1 44 44 MET CB C 44 32.500 32.500 32.725 -0.225 25135 16071 1 19 . 1 1 44 44 MET H H 44 7.600 7.600 7.704 -0.104 25135 16072 1 19 . 1 1 45 45 LEU N N 45 119.900 119.900 118.491 1.409 25135 16073 1 19 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.295 -0.145 25135 16074 1 19 . 1 1 45 45 LEU C C 45 178.000 178.000 179.477 -1.477 25135 16075 1 19 . 1 1 45 45 LEU CA C 45 56.600 56.600 58.074 -1.474 25135 16076 1 19 . 1 1 45 45 LEU CB C 45 42.000 42.000 42.861 -0.861 25135 16077 1 19 . 1 1 45 45 LEU H H 45 7.620 7.620 7.820 -0.200 25135 16078 1 19 . 1 1 46 46 GLN N N 46 118.300 118.300 118.255 0.045 25135 16079 1 19 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.165 -0.145 25135 16080 1 19 . 1 1 46 46 GLN C C 46 176.500 176.500 177.486 -0.986 25135 16081 1 19 . 1 1 46 46 GLN CA C 46 57.700 57.700 58.064 -0.364 25135 16082 1 19 . 1 1 46 46 GLN CB C 46 29.500 29.500 28.186 1.314 25135 16083 1 19 . 1 1 46 46 GLN H H 46 7.950 7.950 8.628 -0.678 25135 16084 1 19 . 1 1 47 47 ASP N N 47 119.000 119.000 119.905 -0.905 25135 16085 1 19 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.516 0.054 25135 16086 1 19 . 1 1 47 47 ASP C C 47 176.900 176.900 177.537 -0.637 25135 16087 1 19 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.394 -1.094 25135 16088 1 19 . 1 1 47 47 ASP CB C 47 41.300 41.300 41.294 0.006 25135 16089 1 19 . 1 1 47 47 ASP H H 47 7.890 7.890 7.791 0.099 25135 16090 1 19 . 1 1 48 48 GLN N N 48 119.500 119.500 116.925 2.575 25135 16091 1 19 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.321 -0.091 25135 16092 1 19 . 1 1 48 48 GLN C C 48 177.200 177.200 177.291 -0.091 25135 16093 1 19 . 1 1 48 48 GLN CA C 48 56.700 56.700 56.485 0.215 25135 16094 1 19 . 1 1 48 48 GLN CB C 48 29.300 29.300 29.354 -0.054 25135 16095 1 19 . 1 1 48 48 GLN H H 48 8.080 8.080 7.783 0.297 25135 16096 1 19 . 1 1 49 49 GLY N N 49 108.100 108.100 109.273 -1.173 25135 16097 1 19 . 1 1 49 49 GLY C C 49 174.300 174.300 174.346 -0.046 25135 16098 1 19 . 1 1 49 49 GLY CA C 49 46.000 46.000 44.706 1.294 25135 16099 1 19 . 1 1 49 49 GLY H H 49 8.270 8.270 7.846 0.424 25135 16100 1 19 . 1 1 50 50 LYS N N 50 120.200 120.200 121.064 -0.864 25135 16101 1 19 . 1 1 50 50 LYS HA H 50 4.320 4.320 4.159 0.162 25135 16102 1 19 . 1 1 50 50 LYS C C 50 176.400 176.400 177.456 -1.056 25135 16103 1 19 . 1 1 50 50 LYS CA C 50 56.500 56.500 56.719 -0.219 25135 16104 1 19 . 1 1 50 50 LYS CB C 50 32.900 32.900 33.135 -0.235 25135 16105 1 19 . 1 1 50 50 LYS H H 50 8.130 8.130 8.376 -0.246 25135 16106 1 19 . 1 1 51 51 ARG N N 51 121.300 121.300 119.560 1.740 25135 16107 1 19 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.124 0.336 25135 16108 1 19 . 1 1 51 51 ARG C C 51 176.100 176.100 175.826 0.274 25135 16109 1 19 . 1 1 51 51 ARG CA C 51 56.000 56.000 57.340 -1.340 25135 16110 1 19 . 1 1 51 51 ARG CB C 51 31.200 31.200 30.542 0.658 25135 16111 1 19 . 1 1 51 51 ARG H H 51 8.260 8.260 8.393 -0.133 25135 16112 1 19 . 1 1 52 52 SER N N 52 116.900 116.900 112.748 4.152 25135 16113 1 19 . 1 1 52 52 SER HA H 52 4.550 4.550 4.528 0.022 25135 16114 1 19 . 1 1 52 52 SER C C 52 173.900 173.900 172.695 1.205 25135 16115 1 19 . 1 1 52 52 SER CA C 52 57.800 57.800 58.042 -0.242 25135 16116 1 19 . 1 1 52 52 SER CB C 52 64.300 64.300 64.562 -0.262 25135 16117 1 19 . 1 1 52 52 SER H H 52 8.150 8.150 8.268 -0.118 25135 16118 1 19 . 1 1 53 53 VAL N N 53 124.300 124.300 126.635 -2.335 25135 16119 1 19 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.463 -0.173 25135 16120 1 19 . 1 1 53 53 VAL CA C 53 60.400 60.400 58.575 1.825 25135 16121 1 19 . 1 1 53 53 VAL CB C 53 32.500 32.500 32.359 0.141 25135 16122 1 19 . 1 1 53 53 VAL H H 53 8.420 8.420 8.556 -0.136 25135 16123 1 19 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.598 -0.108 25135 16124 1 19 . 1 1 54 54 PRO C C 54 176.600 176.600 175.755 0.845 25135 16125 1 19 . 1 1 54 54 PRO CA C 54 62.500 62.500 63.221 -0.721 25135 16126 1 19 . 1 1 54 54 PRO CB C 54 32.600 32.600 32.490 0.110 25135 16127 1 19 . 1 1 55 55 SER N N 55 119.500 119.500 118.090 1.410 25135 16128 1 19 . 1 1 55 55 SER HA H 55 4.370 4.370 4.660 -0.290 25135 16129 1 19 . 1 1 55 55 SER C C 55 175.500 175.500 175.613 -0.113 25135 16130 1 19 . 1 1 55 55 SER CA C 55 58.200 58.200 56.865 1.335 25135 16131 1 19 . 1 1 55 55 SER CB C 55 64.200 64.200 65.375 -1.175 25135 16132 1 19 . 1 1 55 55 SER H H 55 8.970 8.970 8.098 0.872 25135 16133 1 19 . 1 1 56 56 GLU N N 56 123.000 123.000 121.842 1.158 25135 16134 1 19 . 1 1 56 56 GLU HA H 56 4.140 4.140 4.090 0.050 25135 16135 1 19 . 1 1 56 56 GLU C C 56 179.300 179.300 178.413 0.887 25135 16136 1 19 . 1 1 56 56 GLU CA C 56 59.700 59.700 59.764 -0.063 25135 16137 1 19 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.615 -0.415 25135 16138 1 19 . 1 1 56 56 GLU H H 56 9.030 9.030 8.946 0.084 25135 16139 1 19 . 1 1 57 57 LYS N N 57 118.900 118.900 116.917 1.983 25135 16140 1 19 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.045 -0.045 25135 16141 1 19 . 1 1 57 57 LYS C C 57 179.400 179.400 178.206 1.194 25135 16142 1 19 . 1 1 57 57 LYS CA C 57 59.600 59.600 59.194 0.406 25135 16143 1 19 . 1 1 57 57 LYS CB C 57 32.700 32.700 32.159 0.541 25135 16144 1 19 . 1 1 57 57 LYS H H 57 8.150 8.150 8.119 0.031 25135 16145 1 19 . 1 1 58 58 LEU N N 58 122.800 122.800 121.382 1.418 25135 16146 1 19 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.089 0.011 25135 16147 1 19 . 1 1 58 58 LEU C C 58 178.200 178.200 178.391 -0.191 25135 16148 1 19 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.048 0.252 25135 16149 1 19 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.391 -0.891 25135 16150 1 19 . 1 1 58 58 LEU H H 58 8.420 8.420 7.776 0.644 25135 16151 1 19 . 1 1 59 59 THR N N 59 117.800 117.800 113.443 4.357 25135 16152 1 19 . 1 1 59 59 THR HA H 59 3.730 3.730 3.979 -0.249 25135 16153 1 19 . 1 1 59 59 THR C C 59 176.800 176.800 176.549 0.251 25135 16154 1 19 . 1 1 59 59 THR CA C 59 67.500 67.500 66.833 0.667 25135 16155 1 19 . 1 1 59 59 THR CB C 59 68.400 68.400 68.353 0.047 25135 16156 1 19 . 1 1 59 59 THR H H 59 8.600 8.600 8.140 0.460 25135 16157 1 19 . 1 1 60 60 THR N N 60 118.300 118.300 117.456 0.844 25135 16158 1 19 . 1 1 60 60 THR HA H 60 3.980 3.980 4.009 -0.029 25135 16159 1 19 . 1 1 60 60 THR C C 60 176.400 176.400 176.024 0.376 25135 16160 1 19 . 1 1 60 60 THR CA C 60 66.900 66.900 66.593 0.307 25135 16161 1 19 . 1 1 60 60 THR CB C 60 68.400 68.400 68.697 -0.297 25135 16162 1 19 . 1 1 60 60 THR H H 60 8.390 8.390 7.544 0.846 25135 16163 1 19 . 1 1 61 61 ALA N N 61 124.900 124.900 124.593 0.307 25135 16164 1 19 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.064 0.056 25135 16165 1 19 . 1 1 61 61 ALA C C 61 180.000 180.000 179.499 0.501 25135 16166 1 19 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.440 0.360 25135 16167 1 19 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.277 0.523 25135 16168 1 19 . 1 1 61 61 ALA H H 61 8.090 8.090 7.773 0.317 25135 16169 1 19 . 1 1 62 62 MET N N 62 118.300 118.300 117.642 0.658 25135 16170 1 19 . 1 1 62 62 MET HA H 62 4.110 4.110 4.241 -0.131 25135 16171 1 19 . 1 1 62 62 MET C C 62 178.300 178.300 178.761 -0.461 25135 16172 1 19 . 1 1 62 62 MET CA C 62 59.600 59.600 59.755 -0.155 25135 16173 1 19 . 1 1 62 62 MET CB C 62 32.500 32.500 32.237 0.263 25135 16174 1 19 . 1 1 62 62 MET H H 62 8.820 8.820 8.565 0.255 25135 16175 1 19 . 1 1 63 63 ASN N N 63 119.500 119.500 118.640 0.860 25135 16176 1 19 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.532 0.048 25135 16177 1 19 . 1 1 63 63 ASN C C 63 179.000 179.000 177.826 1.174 25135 16178 1 19 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.741 -0.441 25135 16179 1 19 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.316 -0.616 25135 16180 1 19 . 1 1 63 63 ASN H H 63 8.320 8.320 8.833 -0.513 25135 16181 1 19 . 1 1 64 64 ARG N N 64 122.500 122.500 120.093 2.407 25135 16182 1 19 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.096 0.094 25135 16183 1 19 . 1 1 64 64 ARG C C 64 179.300 179.300 178.759 0.541 25135 16184 1 19 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.621 0.079 25135 16185 1 19 . 1 1 64 64 ARG CB C 64 30.700 30.700 29.997 0.703 25135 16186 1 19 . 1 1 64 64 ARG H H 64 8.560 8.560 8.276 0.284 25135 16187 1 19 . 1 1 65 65 PHE N N 65 123.100 123.100 122.273 0.827 25135 16188 1 19 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.298 0.172 25135 16189 1 19 . 1 1 65 65 PHE C C 65 176.400 176.400 176.997 -0.597 25135 16190 1 19 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.504 1.096 25135 16191 1 19 . 1 1 65 65 PHE CB C 65 39.400 39.400 38.957 0.443 25135 16192 1 19 . 1 1 65 65 PHE H H 65 8.560 8.560 8.857 -0.297 25135 16193 1 19 . 1 1 66 66 LYS N N 66 119.800 119.800 119.652 0.148 25135 16194 1 19 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.748 -0.128 25135 16195 1 19 . 1 1 66 66 LYS C C 66 177.600 177.600 178.829 -1.229 25135 16196 1 19 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.619 1.081 25135 16197 1 19 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.319 0.181 25135 16198 1 19 . 1 1 66 66 LYS H H 66 8.610 8.610 8.860 -0.250 25135 16199 1 19 . 1 1 67 67 ALA N N 67 119.000 119.000 120.953 -1.953 25135 16200 1 19 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.466 -0.236 25135 16201 1 19 . 1 1 67 67 ALA C C 67 180.400 180.400 179.333 1.067 25135 16202 1 19 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.517 0.484 25135 16203 1 19 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.519 -0.519 25135 16204 1 19 . 1 1 67 67 ALA H H 67 8.000 8.000 8.425 -0.425 25135 16205 1 19 . 1 1 68 68 ALA N N 68 122.200 122.200 121.744 0.456 25135 16206 1 19 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.051 0.139 25135 16207 1 19 . 1 1 68 68 ALA C C 68 179.800 179.800 179.655 0.145 25135 16208 1 19 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.830 0.370 25135 16209 1 19 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.422 -0.622 25135 16210 1 19 . 1 1 68 68 ALA H H 68 7.950 7.950 8.379 -0.429 25135 16211 1 19 . 1 1 69 69 LEU N N 69 118.900 118.900 119.360 -0.460 25135 16212 1 19 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.854 -0.004 25135 16213 1 19 . 1 1 69 69 LEU C C 69 179.200 179.200 178.557 0.643 25135 16214 1 19 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.135 -0.635 25135 16215 1 19 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.622 -0.222 25135 16216 1 19 . 1 1 69 69 LEU H H 69 8.020 8.020 8.228 -0.208 25135 16217 1 19 . 1 1 70 70 GLU N N 70 120.500 120.500 119.115 1.385 25135 16218 1 19 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.785 0.155 25135 16219 1 19 . 1 1 70 70 GLU C C 70 180.500 180.500 178.989 1.511 25135 16220 1 19 . 1 1 70 70 GLU CA C 70 59.900 59.900 59.615 0.285 25135 16221 1 19 . 1 1 70 70 GLU CB C 70 29.200 29.200 28.744 0.456 25135 16222 1 19 . 1 1 70 70 GLU H H 70 8.590 8.590 7.763 0.827 25135 16223 1 19 . 1 1 71 71 GLU N N 71 122.200 122.200 120.582 1.618 25135 16224 1 19 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.051 0.019 25135 16225 1 19 . 1 1 71 71 GLU C C 71 179.600 179.600 178.472 1.128 25135 16226 1 19 . 1 1 71 71 GLU CA C 71 59.400 59.400 58.892 0.508 25135 16227 1 19 . 1 1 71 71 GLU CB C 71 29.400 29.400 29.005 0.395 25135 16228 1 19 . 1 1 71 71 GLU H H 71 8.300 8.300 7.582 0.718 25135 16229 1 19 . 1 1 72 72 ALA N N 72 122.800 122.800 121.878 0.922 25135 16230 1 19 . 1 1 72 72 ALA HA H 72 3.890 3.890 3.969 -0.079 25135 16231 1 19 . 1 1 72 72 ALA C C 72 178.500 178.500 180.012 -1.512 25135 16232 1 19 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.436 0.264 25135 16233 1 19 . 1 1 72 72 ALA CB C 72 17.200 17.200 18.073 -0.873 25135 16234 1 19 . 1 1 72 72 ALA H H 72 8.330 8.330 7.667 0.663 25135 16235 1 19 . 1 1 73 73 ASN N N 73 115.700 115.700 117.265 -1.565 25135 16236 1 19 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.352 0.098 25135 16237 1 19 . 1 1 73 73 ASN C C 73 177.600 177.600 178.016 -0.416 25135 16238 1 19 . 1 1 73 73 ASN CA C 73 56.300 56.300 56.101 0.199 25135 16239 1 19 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.147 0.753 25135 16240 1 19 . 1 1 73 73 ASN H H 73 8.460 8.460 8.701 -0.241 25135 16241 1 19 . 1 1 74 74 GLY N N 74 105.500 105.500 108.379 -2.879 25135 16242 1 19 . 1 1 74 74 GLY C C 74 177.100 177.100 176.357 0.743 25135 16243 1 19 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.949 0.051 25135 16244 1 19 . 1 1 74 74 GLY H H 74 8.070 8.070 8.514 -0.444 25135 16245 1 19 . 1 1 75 75 GLU N N 75 123.500 123.500 122.364 1.136 25135 16246 1 19 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.950 0.160 25135 16247 1 19 . 1 1 75 75 GLU C C 75 178.500 178.500 179.399 -0.899 25135 16248 1 19 . 1 1 75 75 GLU CA C 75 58.700 58.700 59.260 -0.559 25135 16249 1 19 . 1 1 75 75 GLU CB C 75 29.900 29.900 29.596 0.304 25135 16250 1 19 . 1 1 75 75 GLU H H 75 8.110 8.110 8.524 -0.414 25135 16251 1 19 . 1 1 76 76 ILE N N 76 120.300 120.300 118.948 1.352 25135 16252 1 19 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.880 -0.060 25135 16253 1 19 . 1 1 76 76 ILE C C 76 178.300 178.300 176.841 1.459 25135 16254 1 19 . 1 1 76 76 ILE CA C 76 65.500 65.500 64.944 0.556 25135 16255 1 19 . 1 1 76 76 ILE CB C 76 37.900 37.900 38.041 -0.141 25135 16256 1 19 . 1 1 76 76 ILE H H 76 8.330 8.330 8.380 -0.050 25135 16257 1 19 . 1 1 77 77 GLU N N 77 119.400 119.400 118.819 0.581 25135 16258 1 19 . 1 1 77 77 GLU HA H 77 3.920 3.920 4.003 -0.083 25135 16259 1 19 . 1 1 77 77 GLU C C 77 180.200 180.200 179.257 0.943 25135 16260 1 19 . 1 1 77 77 GLU CA C 77 59.700 59.700 59.012 0.688 25135 16261 1 19 . 1 1 77 77 GLU CB C 77 29.300 29.300 29.907 -0.607 25135 16262 1 19 . 1 1 77 77 GLU H H 77 7.860 7.860 8.004 -0.144 25135 16263 1 19 . 1 1 78 78 LYS N N 78 121.600 121.600 119.143 2.457 25135 16264 1 19 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.063 -0.163 25135 16265 1 19 . 1 1 78 78 LYS C C 78 179.200 179.200 177.983 1.217 25135 16266 1 19 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.326 1.574 25135 16267 1 19 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.407 -0.107 25135 16268 1 19 . 1 1 78 78 LYS H H 78 7.760 7.760 8.408 -0.648 25135 16269 1 19 . 1 1 79 79 PHE N N 79 115.900 115.900 116.259 -0.359 25135 16270 1 19 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.629 0.051 25135 16271 1 19 . 1 1 79 79 PHE C C 79 174.100 174.100 175.579 -1.479 25135 16272 1 19 . 1 1 79 79 PHE CA C 79 58.200 58.200 56.824 1.376 25135 16273 1 19 . 1 1 79 79 PHE CB C 79 36.900 36.900 38.605 -1.705 25135 16274 1 19 . 1 1 79 79 PHE H H 79 8.170 8.170 7.423 0.747 25135 16275 1 19 . 1 1 80 80 SER N N 80 113.300 113.300 114.299 -0.999 25135 16276 1 19 . 1 1 80 80 SER HA H 80 4.500 4.500 4.420 0.080 25135 16277 1 19 . 1 1 80 80 SER C C 80 173.700 173.700 174.324 -0.624 25135 16278 1 19 . 1 1 80 80 SER CA C 80 60.500 60.500 59.608 0.892 25135 16279 1 19 . 1 1 80 80 SER CB C 80 63.400 63.400 63.825 -0.425 25135 16280 1 19 . 1 1 80 80 SER H H 80 7.700 7.700 7.399 0.301 25135 16281 1 19 . 1 1 81 81 ASN N N 81 119.500 119.500 118.750 0.750 25135 16282 1 19 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.753 0.217 25135 16283 1 19 . 1 1 81 81 ASN CA C 81 52.100 52.100 53.396 -1.296 25135 16284 1 19 . 1 1 81 81 ASN CB C 81 40.300 40.300 39.270 1.030 25135 16285 1 19 . 1 1 81 81 ASN H H 81 7.290 7.290 8.023 -0.733 25135 16286 1 19 . 1 1 82 82 ARG N N 82 127.400 127.400 127.394 0.006 25135 16287 1 19 . 1 1 82 82 ARG HA H 82 3.590 3.590 3.344 0.246 25135 16288 1 19 . 1 1 82 82 ARG C C 82 177.700 177.700 177.289 0.411 25135 16289 1 19 . 1 1 82 82 ARG CA C 82 59.800 59.800 60.084 -0.284 25135 16290 1 19 . 1 1 82 82 ARG CB C 82 30.100 30.100 30.097 0.003 25135 16291 1 19 . 1 1 82 82 ARG H H 82 9.050 9.050 8.922 0.128 25135 16292 1 19 . 1 1 83 83 SER N N 83 114.600 114.600 112.779 1.821 25135 16293 1 19 . 1 1 83 83 SER HA H 83 3.930 3.930 4.228 -0.298 25135 16294 1 19 . 1 1 83 83 SER C C 83 177.100 177.100 176.516 0.584 25135 16295 1 19 . 1 1 83 83 SER CA C 83 62.200 62.200 61.494 0.706 25135 16296 1 19 . 1 1 83 83 SER CB C 83 62.000 62.000 62.552 -0.552 25135 16297 1 19 . 1 1 83 83 SER H H 83 8.390 8.390 8.562 -0.172 25135 16298 1 19 . 1 1 84 84 ASN N N 84 119.700 119.700 118.021 1.679 25135 16299 1 19 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.735 -0.135 25135 16300 1 19 . 1 1 84 84 ASN C C 84 179.100 179.100 176.659 2.441 25135 16301 1 19 . 1 1 84 84 ASN CA C 84 55.400 55.400 54.973 0.427 25135 16302 1 19 . 1 1 84 84 ASN CB C 84 37.600 37.600 38.878 -1.278 25135 16303 1 19 . 1 1 84 84 ASN H H 84 7.980 7.980 8.293 -0.313 25135 16304 1 19 . 1 1 85 85 ILE N N 85 122.100 122.100 121.843 0.257 25135 16305 1 19 . 1 1 85 85 ILE HA H 85 3.820 3.820 4.295 -0.475 25135 16306 1 19 . 1 1 85 85 ILE C C 85 176.900 176.900 176.982 -0.082 25135 16307 1 19 . 1 1 85 85 ILE CA C 85 64.700 64.700 62.530 2.170 25135 16308 1 19 . 1 1 85 85 ILE CB C 85 37.400 37.400 37.460 -0.060 25135 16309 1 19 . 1 1 85 85 ILE H H 85 7.760 7.760 7.779 -0.019 25135 16310 1 19 . 1 1 86 86 CYS N N 86 119.200 119.200 119.029 0.171 25135 16311 1 19 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.571 0.369 25135 16312 1 19 . 1 1 86 86 CYS C C 86 177.400 177.400 176.669 0.731 25135 16313 1 19 . 1 1 86 86 CYS CA C 86 63.800 63.800 63.958 -0.158 25135 16314 1 19 . 1 1 86 86 CYS CB C 86 26.900 26.900 27.387 -0.487 25135 16315 1 19 . 1 1 86 86 CYS H H 86 8.330 8.330 8.153 0.177 25135 16316 1 19 . 1 1 87 87 ARG N N 87 119.200 119.200 118.491 0.709 25135 16317 1 19 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.078 -0.058 25135 16318 1 19 . 1 1 87 87 ARG C C 87 178.500 178.500 178.802 -0.302 25135 16319 1 19 . 1 1 87 87 ARG CA C 87 59.500 59.500 59.775 -0.275 25135 16320 1 19 . 1 1 87 87 ARG CB C 87 30.300 30.300 30.006 0.294 25135 16321 1 19 . 1 1 87 87 ARG H H 87 7.900 7.900 8.037 -0.137 25135 16322 1 19 . 1 1 88 88 PHE N N 88 120.300 120.300 119.915 0.385 25135 16323 1 19 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.442 -0.222 25135 16324 1 19 . 1 1 88 88 PHE C C 88 177.200 177.200 176.953 0.247 25135 16325 1 19 . 1 1 88 88 PHE CA C 88 61.500 61.500 60.286 1.214 25135 16326 1 19 . 1 1 88 88 PHE CB C 88 39.800 39.800 38.619 1.181 25135 16327 1 19 . 1 1 88 88 PHE H H 88 7.760 7.760 7.471 0.289 25135 16328 1 19 . 1 1 89 89 LEU N N 89 117.900 117.900 120.455 -2.555 25135 16329 1 19 . 1 1 89 89 LEU HA H 89 3.640 3.640 3.008 0.632 25135 16330 1 19 . 1 1 89 89 LEU C C 89 178.700 178.700 178.663 0.037 25135 16331 1 19 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.477 -0.077 25135 16332 1 19 . 1 1 89 89 LEU CB C 89 41.600 41.600 40.555 1.045 25135 16333 1 19 . 1 1 89 89 LEU H H 89 8.590 8.590 7.939 0.651 25135 16334 1 19 . 1 1 90 90 THR N N 90 112.000 112.000 112.721 -0.721 25135 16335 1 19 . 1 1 90 90 THR HA H 90 3.980 3.980 4.130 -0.150 25135 16336 1 19 . 1 1 90 90 THR C C 90 174.900 174.900 176.189 -1.289 25135 16337 1 19 . 1 1 90 90 THR CA C 90 65.200 65.200 65.252 -0.052 25135 16338 1 19 . 1 1 90 90 THR CB C 90 69.300 69.300 69.095 0.205 25135 16339 1 19 . 1 1 90 90 THR H H 90 7.690 7.690 7.588 0.102 25135 16340 1 19 . 1 1 91 91 ALA N N 91 122.400 122.400 122.055 0.345 25135 16341 1 19 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.251 0.019 25135 16342 1 19 . 1 1 91 91 ALA C C 91 177.500 177.500 177.564 -0.064 25135 16343 1 19 . 1 1 91 91 ALA CA C 91 53.000 53.000 52.727 0.273 25135 16344 1 19 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.367 0.633 25135 16345 1 19 . 1 1 91 91 ALA H H 91 7.220 7.220 7.767 -0.547 25135 16346 1 19 . 1 1 92 92 SER N N 92 112.900 112.900 112.906 -0.006 25135 16347 1 19 . 1 1 92 92 SER HA H 92 4.130 4.130 4.208 -0.078 25135 16348 1 19 . 1 1 92 92 SER CA C 92 57.600 57.600 59.022 -1.422 25135 16349 1 19 . 1 1 92 92 SER CB C 92 64.000 64.000 61.173 2.827 25135 16350 1 19 . 1 1 92 92 SER H H 92 7.510 7.510 7.961 -0.451 25135 16351 1 19 . 1 1 93 93 GLN N N 93 125.700 125.700 121.533 4.167 25135 16352 1 19 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.172 0.028 25135 16353 1 19 . 1 1 93 93 GLN C C 93 176.700 176.700 176.169 0.531 25135 16354 1 19 . 1 1 93 93 GLN CA C 93 57.700 57.700 59.090 -1.389 25135 16355 1 19 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.323 -0.323 25135 16356 1 19 . 1 1 93 93 GLN H H 93 8.710 8.710 8.262 0.448 25135 16357 1 19 . 1 1 94 94 ASP N N 94 116.400 116.400 114.972 1.428 25135 16358 1 19 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.900 -0.340 25135 16359 1 19 . 1 1 94 94 ASP CA C 94 54.000 54.000 53.941 0.059 25135 16360 1 19 . 1 1 94 94 ASP CB C 94 41.700 41.700 41.874 -0.174 25135 16361 1 19 . 1 1 94 94 ASP H H 94 7.800 7.800 8.817 -1.017 25135 16362 1 19 . 1 1 95 95 LYS N N 95 114.300 114.300 116.018 -1.718 25135 16363 1 19 . 1 1 95 95 LYS H H 95 8.290 8.290 8.878 -0.588 25135 16364 1 19 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.500 -0.180 25135 16365 1 19 . 1 1 96 96 ILE C C 96 177.000 177.000 177.133 -0.133 25135 16366 1 19 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.601 1.199 25135 16367 1 19 . 1 1 96 96 ILE CB C 96 38.100 38.100 40.532 -2.432 25135 16368 1 19 . 1 1 97 97 LEU N N 97 131.100 131.100 128.408 2.692 25135 16369 1 19 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.468 -0.348 25135 16370 1 19 . 1 1 97 97 LEU C C 97 177.200 177.200 177.031 0.169 25135 16371 1 19 . 1 1 97 97 LEU CA C 97 58.000 58.000 58.520 -0.520 25135 16372 1 19 . 1 1 97 97 LEU CB C 97 42.900 42.900 41.866 1.034 25135 16373 1 19 . 1 1 97 97 LEU H H 97 8.620 8.620 8.755 -0.135 25135 16374 1 19 . 1 1 98 98 PHE N N 98 113.600 113.600 109.099 4.501 25135 16375 1 19 . 1 1 98 98 PHE HA H 98 5.100 5.100 4.983 0.117 25135 16376 1 19 . 1 1 98 98 PHE C C 98 175.400 175.400 175.352 0.048 25135 16377 1 19 . 1 1 98 98 PHE CA C 98 55.700 55.700 53.923 1.777 25135 16378 1 19 . 1 1 98 98 PHE CB C 98 37.600 37.600 37.858 -0.258 25135 16379 1 19 . 1 1 98 98 PHE H H 98 8.450 8.450 7.692 0.758 25135 16380 1 19 . 1 1 99 99 LYS N N 99 119.500 119.500 123.786 -4.286 25135 16381 1 19 . 1 1 99 99 LYS HA H 99 3.880 3.880 3.887 -0.007 25135 16382 1 19 . 1 1 99 99 LYS C C 99 178.900 178.900 177.732 1.168 25135 16383 1 19 . 1 1 99 99 LYS CA C 99 61.100 61.100 60.060 1.040 25135 16384 1 19 . 1 1 99 99 LYS CB C 99 33.500 33.500 32.667 0.833 25135 16385 1 19 . 1 1 99 99 LYS H H 99 6.790 6.790 7.391 -0.601 25135 16386 1 19 . 1 1 100 100 ASP N N 100 117.800 117.800 119.481 -1.681 25135 16387 1 19 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.462 0.148 25135 16388 1 19 . 1 1 100 100 ASP C C 100 179.000 179.000 178.900 0.100 25135 16389 1 19 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.537 0.263 25135 16390 1 19 . 1 1 100 100 ASP CB C 100 40.400 40.400 39.879 0.521 25135 16391 1 19 . 1 1 100 100 ASP H H 100 8.520 8.520 8.695 -0.175 25135 16392 1 19 . 1 1 101 101 VAL N N 101 122.600 122.600 119.513 3.087 25135 16393 1 19 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.767 0.093 25135 16394 1 19 . 1 1 101 101 VAL C C 101 177.100 177.100 177.912 -0.812 25135 16395 1 19 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.920 -1.220 25135 16396 1 19 . 1 1 101 101 VAL CB C 101 32.300 32.300 31.818 0.482 25135 16397 1 19 . 1 1 101 101 VAL H H 101 8.210 8.210 7.898 0.312 25135 16398 1 19 . 1 1 102 102 ASN N N 102 121.000 121.000 117.515 3.485 25135 16399 1 19 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.777 -0.217 25135 16400 1 19 . 1 1 102 102 ASN C C 102 178.500 178.500 177.873 0.627 25135 16401 1 19 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.512 -0.312 25135 16402 1 19 . 1 1 102 102 ASN CB C 102 37.900 37.900 38.253 -0.353 25135 16403 1 19 . 1 1 102 102 ASN H H 102 9.060 9.060 8.336 0.724 25135 16404 1 19 . 1 1 103 103 ARG N N 103 120.700 120.700 119.684 1.016 25135 16405 1 19 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.188 -0.028 25135 16406 1 19 . 1 1 103 103 ARG C C 103 177.900 177.900 178.128 -0.228 25135 16407 1 19 . 1 1 103 103 ARG CA C 103 59.100 59.100 59.405 -0.305 25135 16408 1 19 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.688 -0.787 25135 16409 1 19 . 1 1 103 103 ARG H H 103 7.640 7.640 7.815 -0.175 25135 16410 1 19 . 1 1 104 104 LYS N N 104 119.700 119.700 120.850 -1.150 25135 16411 1 19 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.275 -0.085 25135 16412 1 19 . 1 1 104 104 LYS C C 104 179.300 179.300 178.853 0.447 25135 16413 1 19 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.316 0.784 25135 16414 1 19 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.868 -0.368 25135 16415 1 19 . 1 1 104 104 LYS H H 104 7.960 7.960 8.268 -0.308 25135 16416 1 19 . 1 1 105 105 LEU N N 105 118.200 118.200 120.978 -2.778 25135 16417 1 19 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.229 -0.189 25135 16418 1 19 . 1 1 105 105 LEU C C 105 178.400 178.400 178.477 -0.077 25135 16419 1 19 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.101 0.399 25135 16420 1 19 . 1 1 105 105 LEU CB C 105 42.500 42.500 41.979 0.521 25135 16421 1 19 . 1 1 105 105 LEU H H 105 8.990 8.990 9.156 -0.166 25135 16422 1 19 . 1 1 106 106 SER N N 106 111.700 111.700 114.469 -2.769 25135 16423 1 19 . 1 1 106 106 SER HA H 106 3.870 3.870 4.406 -0.536 25135 16424 1 19 . 1 1 106 106 SER C C 106 177.500 177.500 176.567 0.933 25135 16425 1 19 . 1 1 106 106 SER CA C 106 61.400 61.400 62.025 -0.625 25135 16426 1 19 . 1 1 106 106 SER CB C 106 62.600 62.600 62.761 -0.161 25135 16427 1 19 . 1 1 106 106 SER H H 106 7.980 7.980 7.920 0.060 25135 16428 1 19 . 1 1 107 107 ASP N N 107 122.000 122.000 121.923 0.077 25135 16429 1 19 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.371 0.069 25135 16430 1 19 . 1 1 107 107 ASP C C 107 179.700 179.700 178.568 1.132 25135 16431 1 19 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.367 0.533 25135 16432 1 19 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.921 -0.321 25135 16433 1 19 . 1 1 107 107 ASP H H 107 8.500 8.500 7.675 0.825 25135 16434 1 19 . 1 1 108 108 VAL N N 108 119.200 119.200 118.611 0.589 25135 16435 1 19 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.728 0.282 25135 16436 1 19 . 1 1 108 108 VAL C C 108 178.400 178.400 177.747 0.653 25135 16437 1 19 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.539 -0.939 25135 16438 1 19 . 1 1 108 108 VAL CB C 108 31.500 31.500 30.965 0.535 25135 16439 1 19 . 1 1 108 108 VAL H H 108 8.830 8.830 7.687 1.143 25135 16440 1 19 . 1 1 109 109 TRP N N 109 121.900 121.900 121.520 0.380 25135 16441 1 19 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.920 0.350 25135 16442 1 19 . 1 1 109 109 TRP C C 109 178.000 178.000 178.078 -0.078 25135 16443 1 19 . 1 1 109 109 TRP CA C 109 60.100 60.100 59.830 0.270 25135 16444 1 19 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.458 0.242 25135 16445 1 19 . 1 1 109 109 TRP H H 109 8.710 8.710 7.761 0.949 25135 16446 1 19 . 1 1 110 110 LYS N N 110 119.500 119.500 118.567 0.933 25135 16447 1 19 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.711 -0.081 25135 16448 1 19 . 1 1 110 110 LYS C C 110 178.000 178.000 179.116 -1.116 25135 16449 1 19 . 1 1 110 110 LYS CA C 110 60.500 60.500 59.791 0.709 25135 16450 1 19 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.054 0.146 25135 16451 1 19 . 1 1 110 110 LYS H H 110 8.010 8.010 7.675 0.335 25135 16452 1 19 . 1 1 111 111 GLU N N 111 116.700 116.700 118.144 -1.444 25135 16453 1 19 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.113 -0.103 25135 16454 1 19 . 1 1 111 111 GLU C C 111 178.400 178.400 178.619 -0.219 25135 16455 1 19 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.169 0.631 25135 16456 1 19 . 1 1 111 111 GLU CB C 111 30.400 30.400 30.037 0.363 25135 16457 1 19 . 1 1 111 111 GLU H H 111 7.000 7.000 7.732 -0.732 25135 16458 1 19 . 1 1 112 112 LEU N N 112 119.000 119.000 121.702 -2.702 25135 16459 1 19 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.171 -0.431 25135 16460 1 19 . 1 1 112 112 LEU C C 112 177.600 177.600 177.720 -0.120 25135 16461 1 19 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.191 0.609 25135 16462 1 19 . 1 1 112 112 LEU CB C 112 42.200 42.200 42.140 0.060 25135 16463 1 19 . 1 1 112 112 LEU H H 112 8.380 8.380 8.232 0.148 25135 16464 1 19 . 1 1 113 113 SER N N 113 113.100 113.100 115.260 -2.160 25135 16465 1 19 . 1 1 113 113 SER HA H 113 3.190 3.190 3.532 -0.342 25135 16466 1 19 . 1 1 113 113 SER C C 113 176.300 176.300 176.128 0.172 25135 16467 1 19 . 1 1 113 113 SER CA C 113 61.600 61.600 61.409 0.191 25135 16468 1 19 . 1 1 113 113 SER CB C 113 61.800 61.800 62.114 -0.314 25135 16469 1 19 . 1 1 113 113 SER H H 113 8.490 8.490 8.089 0.401 25135 16470 1 19 . 1 1 114 114 LEU N N 114 121.500 121.500 121.405 0.095 25135 16471 1 19 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.076 -0.056 25135 16472 1 19 . 1 1 114 114 LEU C C 114 179.100 179.100 177.658 1.442 25135 16473 1 19 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.007 0.993 25135 16474 1 19 . 1 1 114 114 LEU CB C 114 41.800 41.800 40.527 1.273 25135 16475 1 19 . 1 1 114 114 LEU H H 114 6.810 6.810 7.112 -0.302 25135 16476 1 19 . 1 1 115 115 LEU N N 115 118.200 118.200 118.903 -0.703 25135 16477 1 19 . 1 1 115 115 LEU HA H 115 4.060 4.060 3.935 0.125 25135 16478 1 19 . 1 1 115 115 LEU C C 115 179.600 179.600 179.257 0.343 25135 16479 1 19 . 1 1 115 115 LEU CA C 115 57.700 57.700 57.182 0.518 25135 16480 1 19 . 1 1 115 115 LEU CB C 115 43.100 43.100 41.894 1.206 25135 16481 1 19 . 1 1 115 115 LEU H H 115 7.270 7.270 7.041 0.229 25135 16482 1 19 . 1 1 116 116 LEU N N 116 118.700 118.700 119.902 -1.202 25135 16483 1 19 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.807 0.043 25135 16484 1 19 . 1 1 116 116 LEU C C 116 179.300 179.300 179.347 -0.047 25135 16485 1 19 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.168 -0.568 25135 16486 1 19 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.682 -0.282 25135 16487 1 19 . 1 1 116 116 LEU H H 116 8.440 8.440 8.145 0.295 25135 16488 1 19 . 1 1 117 117 GLN N N 117 119.500 119.500 117.233 2.267 25135 16489 1 19 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.185 0.155 25135 16490 1 19 . 1 1 117 117 GLN C C 117 178.200 178.200 178.475 -0.275 25135 16491 1 19 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.846 -0.046 25135 16492 1 19 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.691 0.109 25135 16493 1 19 . 1 1 117 117 GLN H H 117 8.030 8.030 8.016 0.014 25135 16494 1 19 . 1 1 118 118 VAL N N 118 117.600 117.600 119.545 -1.945 25135 16495 1 19 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.812 0.028 25135 16496 1 19 . 1 1 118 118 VAL C C 118 177.900 177.900 177.590 0.310 25135 16497 1 19 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.584 -0.184 25135 16498 1 19 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.644 1.256 25135 16499 1 19 . 1 1 118 118 VAL H H 118 8.110 8.110 7.948 0.162 25135 16500 1 19 . 1 1 119 119 GLU N N 119 116.900 116.900 117.056 -0.156 25135 16501 1 19 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.060 0.250 25135 16502 1 19 . 1 1 119 119 GLU C C 119 177.700 177.700 178.814 -1.114 25135 16503 1 19 . 1 1 119 119 GLU CA C 119 58.400 58.400 58.879 -0.479 25135 16504 1 19 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.645 1.055 25135 16505 1 19 . 1 1 119 119 GLU H H 119 8.620 8.620 8.013 0.607 25135 16506 1 19 . 1 1 120 120 GLN N N 120 113.300 113.300 116.723 -3.423 25135 16507 1 19 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.342 0.108 25135 16508 1 19 . 1 1 120 120 GLN C C 120 174.700 174.700 176.299 -1.599 25135 16509 1 19 . 1 1 120 120 GLN CA C 120 54.500 54.500 55.559 -1.059 25135 16510 1 19 . 1 1 120 120 GLN CB C 120 28.600 28.600 29.957 -1.357 25135 16511 1 19 . 1 1 120 120 GLN H H 120 7.350 7.350 8.027 -0.677 25135 16512 1 19 . 1 1 121 121 ARG N N 121 114.800 114.800 116.214 -1.414 25135 16513 1 19 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.167 -0.047 25135 16514 1 19 . 1 1 121 121 ARG C C 121 175.600 175.600 175.659 -0.059 25135 16515 1 19 . 1 1 121 121 ARG CA C 121 56.600 56.600 57.210 -0.610 25135 16516 1 19 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.509 0.191 25135 16517 1 19 . 1 1 121 121 ARG H H 121 7.410 7.410 7.827 -0.417 25135 16518 1 19 . 1 1 122 122 MET N N 122 120.300 120.300 117.885 2.415 25135 16519 1 19 . 1 1 122 122 MET HA H 122 4.600 4.600 4.796 -0.196 25135 16520 1 19 . 1 1 122 122 MET CA C 122 53.700 53.700 53.509 0.191 25135 16521 1 19 . 1 1 122 122 MET CB C 122 34.700 34.700 32.459 2.241 25135 16522 1 19 . 1 1 122 122 MET H H 122 7.760 7.760 7.466 0.294 25135 16523 1 19 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.389 0.091 25135 16524 1 19 . 1 1 123 123 PRO C C 123 176.300 176.300 175.940 0.360 25135 16525 1 19 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.264 -0.464 25135 16526 1 19 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.658 -0.358 25135 16527 1 19 . 1 1 124 124 VAL N N 124 120.000 120.000 122.443 -2.443 25135 16528 1 19 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.396 -0.316 25135 16529 1 19 . 1 1 124 124 VAL C C 124 175.800 175.800 175.186 0.614 25135 16530 1 19 . 1 1 124 124 VAL CA C 124 61.700 61.700 61.168 0.532 25135 16531 1 19 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.058 -0.958 25135 16532 1 19 . 1 1 124 124 VAL H H 124 8.080 8.080 8.163 -0.083 25135 16533 1 19 . 1 1 125 125 SER N N 125 121.200 121.200 118.611 2.589 25135 16534 1 19 . 1 1 125 125 SER HA H 125 4.800 4.800 4.897 -0.097 25135 16535 1 19 . 1 1 125 125 SER CA C 125 56.200 56.200 55.566 0.634 25135 16536 1 19 . 1 1 125 125 SER CB C 125 63.700 63.700 64.074 -0.374 25135 16537 1 19 . 1 1 125 125 SER H H 125 8.380 8.380 8.179 0.201 25135 16538 1 19 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.386 0.094 25135 16539 1 19 . 1 1 126 126 PRO C C 126 177.100 177.100 177.031 0.069 25135 16540 1 19 . 1 1 126 126 PRO CA C 126 63.400 63.400 63.962 -0.562 25135 16541 1 19 . 1 1 126 126 PRO CB C 126 31.900 31.900 30.011 1.889 25135 16542 1 19 . 1 1 127 127 ILE N N 127 119.900 119.900 120.875 -0.975 25135 16543 1 19 . 1 1 127 127 ILE HA H 127 4.140 4.140 3.961 0.179 25135 16544 1 19 . 1 1 127 127 ILE C C 127 176.300 176.300 176.597 -0.297 25135 16545 1 19 . 1 1 127 127 ILE CA C 127 61.300 61.300 64.132 -2.832 25135 16546 1 19 . 1 1 127 127 ILE CB C 127 38.800 38.800 36.810 1.990 25135 16547 1 19 . 1 1 127 127 ILE H H 127 8.050 8.050 8.966 -0.916 25135 16548 1 19 . 1 1 128 128 SER N N 128 119.000 119.000 113.907 5.093 25135 16549 1 19 . 1 1 128 128 SER HA H 128 4.400 4.400 4.139 0.261 25135 16550 1 19 . 1 1 128 128 SER C C 128 174.600 174.600 173.273 1.327 25135 16551 1 19 . 1 1 128 128 SER CA C 128 58.300 58.300 59.074 -0.774 25135 16552 1 19 . 1 1 128 128 SER CB C 128 63.600 63.600 62.316 1.284 25135 16553 1 19 . 1 1 128 128 SER H H 128 8.230 8.230 8.608 -0.378 25135 16554 1 19 . 1 1 129 129 GLN N N 129 122.600 122.600 116.859 5.741 25135 16555 1 19 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.590 -0.360 25135 16556 1 19 . 1 1 129 129 GLN C C 129 176.200 176.200 175.729 0.471 25135 16557 1 19 . 1 1 129 129 GLN CA C 129 56.300 56.300 55.075 1.225 25135 16558 1 19 . 1 1 129 129 GLN CB C 129 29.100 29.100 29.840 -0.740 25135 16559 1 19 . 1 1 129 129 GLN H H 129 8.340 8.340 8.165 0.175 25135 16560 1 19 . 1 1 130 130 GLY N N 130 109.200 109.200 108.402 0.798 25135 16561 1 19 . 1 1 130 130 GLY C C 130 175.100 175.100 174.526 0.574 25135 16562 1 19 . 1 1 130 130 GLY CA C 130 45.200 45.200 45.515 -0.315 25135 16563 1 19 . 1 1 130 130 GLY H H 130 8.150 8.150 8.424 -0.274 25135 16564 1 19 . 1 1 131 131 ALA N N 131 124.700 124.700 123.054 1.646 25135 16565 1 19 . 1 1 131 131 ALA HA H 131 4.230 4.230 3.081 1.149 25135 16566 1 19 . 1 1 131 131 ALA C C 131 178.700 178.700 177.307 1.393 25135 16567 1 19 . 1 1 131 131 ALA CA C 131 53.800 53.800 51.922 1.879 25135 16568 1 19 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.215 0.685 25135 16569 1 19 . 1 1 131 131 ALA H H 131 8.070 8.070 8.333 -0.263 25135 16570 1 19 . 1 1 132 132 SER N N 132 113.200 113.200 114.396 -1.196 25135 16571 1 19 . 1 1 132 132 SER HA H 132 4.580 4.580 4.410 0.170 25135 16572 1 19 . 1 1 132 132 SER C C 132 175.700 175.700 175.858 -0.158 25135 16573 1 19 . 1 1 132 132 SER CA C 132 58.500 58.500 57.983 0.517 25135 16574 1 19 . 1 1 132 132 SER CB C 132 63.800 63.800 62.440 1.361 25135 16575 1 19 . 1 1 132 132 SER H H 132 8.340 8.340 7.889 0.451 25135 16576 1 19 . 1 1 133 133 TRP N N 133 122.800 122.800 123.033 -0.233 25135 16577 1 19 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.378 0.152 25135 16578 1 19 . 1 1 133 133 TRP C C 133 178.200 178.200 177.984 0.216 25135 16579 1 19 . 1 1 133 133 TRP CA C 133 58.900 58.900 59.646 -0.746 25135 16580 1 19 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.116 2.083 25135 16581 1 19 . 1 1 133 133 TRP H H 133 8.380 8.380 7.316 1.064 25135 16582 1 19 . 1 1 134 134 ALA N N 134 120.600 120.600 121.180 -0.580 25135 16583 1 19 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.938 0.312 25135 16584 1 19 . 1 1 134 134 ALA C C 134 180.700 180.700 180.144 0.556 25135 16585 1 19 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.104 0.596 25135 16586 1 19 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.732 0.268 25135 16587 1 19 . 1 1 134 134 ALA H H 134 8.420 8.420 8.369 0.051 25135 16588 1 19 . 1 1 135 135 GLN N N 135 118.900 118.900 117.743 1.157 25135 16589 1 19 . 1 1 135 135 GLN HA H 135 4.100 4.100 4.057 0.043 25135 16590 1 19 . 1 1 135 135 GLN C C 135 179.200 179.200 178.888 0.312 25135 16591 1 19 . 1 1 135 135 GLN CA C 135 59.000 59.000 58.924 0.076 25135 16592 1 19 . 1 1 135 135 GLN CB C 135 28.500 28.500 28.603 -0.103 25135 16593 1 19 . 1 1 135 135 GLN H H 135 7.860 7.860 7.978 -0.118 25135 16594 1 19 . 1 1 136 136 GLU N N 136 120.900 120.900 119.784 1.116 25135 16595 1 19 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.127 -0.307 25135 16596 1 19 . 1 1 136 136 GLU C C 136 177.800 177.800 178.936 -1.136 25135 16597 1 19 . 1 1 136 136 GLU CA C 136 59.000 59.000 59.060 -0.060 25135 16598 1 19 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.738 0.262 25135 16599 1 19 . 1 1 136 136 GLU H H 136 7.720 7.720 8.068 -0.348 25135 16600 1 19 . 1 1 137 137 ASP N N 137 118.200 118.200 120.358 -2.158 25135 16601 1 19 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.321 0.139 25135 16602 1 19 . 1 1 137 137 ASP C C 137 178.100 178.100 178.602 -0.502 25135 16603 1 19 . 1 1 137 137 ASP CA C 137 57.200 57.200 57.831 -0.631 25135 16604 1 19 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.293 -0.193 25135 16605 1 19 . 1 1 137 137 ASP H H 137 8.800 8.800 8.846 -0.046 25135 16606 1 19 . 1 1 138 138 GLN N N 138 116.900 116.900 118.135 -1.235 25135 16607 1 19 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.067 -0.187 25135 16608 1 19 . 1 1 138 138 GLN C C 138 178.400 178.400 178.193 0.207 25135 16609 1 19 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.505 0.395 25135 16610 1 19 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.349 0.351 25135 16611 1 19 . 1 1 138 138 GLN H H 138 7.510 7.510 7.595 -0.085 25135 16612 1 19 . 1 1 139 139 GLN N N 139 119.500 119.500 120.215 -0.715 25135 16613 1 19 . 1 1 139 139 GLN HA H 139 4.110 4.110 4.007 0.103 25135 16614 1 19 . 1 1 139 139 GLN C C 139 178.900 178.900 178.825 0.075 25135 16615 1 19 . 1 1 139 139 GLN CA C 139 58.900 58.900 58.893 0.007 25135 16616 1 19 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.653 -0.053 25135 16617 1 19 . 1 1 139 139 GLN H H 139 7.520 7.520 7.622 -0.102 25135 16618 1 19 . 1 1 140 140 ASP N N 140 121.700 121.700 118.202 3.498 25135 16619 1 19 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.604 -0.584 25135 16620 1 19 . 1 1 140 140 ASP C C 140 177.700 177.700 177.627 0.073 25135 16621 1 19 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.270 1.030 25135 16622 1 19 . 1 1 140 140 ASP CB C 140 40.700 40.700 40.570 0.130 25135 16623 1 19 . 1 1 140 140 ASP H H 140 9.130 9.130 8.468 0.662 25135 16624 1 19 . 1 1 141 141 ALA N N 141 121.000 121.000 124.079 -3.079 25135 16625 1 19 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.174 0.076 25135 16626 1 19 . 1 1 141 141 ALA C C 141 180.800 180.800 179.016 1.784 25135 16627 1 19 . 1 1 141 141 ALA CA C 141 55.400 55.400 55.263 0.137 25135 16628 1 19 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.692 0.808 25135 16629 1 19 . 1 1 141 141 ALA H H 141 8.720 8.720 7.753 0.967 25135 16630 1 19 . 1 1 142 142 ASP N N 142 119.100 119.100 118.108 0.992 25135 16631 1 19 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.299 0.131 25135 16632 1 19 . 1 1 142 142 ASP C C 142 178.600 178.600 178.762 -0.162 25135 16633 1 19 . 1 1 142 142 ASP CA C 142 57.600 57.600 58.175 -0.575 25135 16634 1 19 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.764 0.536 25135 16635 1 19 . 1 1 142 142 ASP H H 142 7.850 7.850 8.774 -0.924 25135 16636 1 19 . 1 1 143 143 GLU N N 143 119.500 119.500 117.892 1.608 25135 16637 1 19 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.186 -0.156 25135 16638 1 19 . 1 1 143 143 GLU C C 143 180.100 180.100 178.642 1.458 25135 16639 1 19 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.968 0.733 25135 16640 1 19 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.668 -0.068 25135 16641 1 19 . 1 1 143 143 GLU H H 143 7.860 7.860 7.687 0.173 25135 16642 1 19 . 1 1 144 144 ASP N N 144 121.000 121.000 121.122 -0.122 25135 16643 1 19 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.427 0.223 25135 16644 1 19 . 1 1 144 144 ASP C C 144 179.500 179.500 178.478 1.022 25135 16645 1 19 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.343 0.157 25135 16646 1 19 . 1 1 144 144 ASP CB C 144 41.100 41.100 40.514 0.586 25135 16647 1 19 . 1 1 144 144 ASP H H 144 8.840 8.840 8.012 0.828 25135 16648 1 19 . 1 1 145 145 ARG N N 145 121.400 121.400 118.101 3.299 25135 16649 1 19 . 1 1 145 145 ARG HA H 145 4.130 4.130 4.101 0.029 25135 16650 1 19 . 1 1 145 145 ARG C C 145 178.700 178.700 179.348 -0.648 25135 16651 1 19 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.403 0.097 25135 16652 1 19 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.718 -0.118 25135 16653 1 19 . 1 1 145 145 ARG H H 145 8.510 8.510 8.055 0.455 25135 16654 1 19 . 1 1 146 146 ARG N N 146 119.400 119.400 119.088 0.312 25135 16655 1 19 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.181 -0.071 25135 16656 1 19 . 1 1 146 146 ARG C C 146 178.400 178.400 178.288 0.112 25135 16657 1 19 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.429 0.971 25135 16658 1 19 . 1 1 146 146 ARG CB C 146 30.200 30.200 30.023 0.177 25135 16659 1 19 . 1 1 146 146 ARG H H 146 7.680 7.680 7.816 -0.136 25135 16660 1 19 . 1 1 147 147 ALA N N 147 120.300 120.300 123.517 -3.217 25135 16661 1 19 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.267 0.043 25135 16662 1 19 . 1 1 147 147 ALA C C 147 179.500 179.500 179.308 0.192 25135 16663 1 19 . 1 1 147 147 ALA CA C 147 54.100 54.100 54.892 -0.792 25135 16664 1 19 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.596 0.504 25135 16665 1 19 . 1 1 147 147 ALA H H 147 7.840 7.840 8.002 -0.162 25135 16666 1 19 . 1 1 148 148 PHE N N 148 119.900 119.900 118.793 1.107 25135 16667 1 19 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.202 0.188 25135 16668 1 19 . 1 1 148 148 PHE C C 148 176.900 176.900 177.184 -0.284 25135 16669 1 19 . 1 1 148 148 PHE CA C 148 60.500 60.500 59.837 0.664 25135 16670 1 19 . 1 1 148 148 PHE CB C 148 39.700 39.700 38.490 1.210 25135 16671 1 19 . 1 1 148 148 PHE H H 148 8.210 8.210 8.531 -0.321 25135 16672 1 19 . 1 1 149 149 GLN N N 149 118.500 118.500 117.765 0.735 25135 16673 1 19 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.822 0.308 25135 16674 1 19 . 1 1 149 149 GLN C C 149 176.400 176.400 175.446 0.954 25135 16675 1 19 . 1 1 149 149 GLN CA C 149 56.900 56.900 56.352 0.548 25135 16676 1 19 . 1 1 149 149 GLN CB C 149 28.900 28.900 30.123 -1.223 25135 16677 1 19 . 1 1 149 149 GLN H H 149 7.960 7.960 7.781 0.179 25135 16678 1 19 . 1 1 150 150 MET N N 150 118.000 118.000 117.333 0.667 25135 16679 1 19 . 1 1 150 150 MET HA H 150 4.360 4.360 4.496 -0.136 25135 16680 1 19 . 1 1 150 150 MET C C 150 176.300 176.300 175.848 0.452 25135 16681 1 19 . 1 1 150 150 MET CA C 150 56.000 56.000 55.143 0.857 25135 16682 1 19 . 1 1 150 150 MET CB C 150 32.800 32.800 34.195 -1.395 25135 16683 1 19 . 1 1 150 150 MET H H 150 7.760 7.760 7.409 0.351 25135 16684 1 19 . 1 1 151 151 LEU N N 151 121.200 121.200 123.540 -2.340 25135 16685 1 19 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.192 0.078 25135 16686 1 19 . 1 1 151 151 LEU C C 151 177.100 177.100 177.025 0.075 25135 16687 1 19 . 1 1 151 151 LEU CA C 151 55.400 55.400 57.569 -2.169 25135 16688 1 19 . 1 1 151 151 LEU CB C 151 42.300 42.300 42.366 -0.066 25135 16689 1 19 . 1 1 151 151 LEU H H 151 7.690 7.690 8.785 -1.095 25135 16690 1 19 . 1 1 152 152 ARG N N 152 121.800 121.800 114.437 7.363 25135 16691 1 19 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.206 0.034 25135 16692 1 19 . 1 1 152 152 ARG C C 152 176.000 176.000 176.131 -0.131 25135 16693 1 19 . 1 1 152 152 ARG CA C 152 56.200 56.200 56.544 -0.344 25135 16694 1 19 . 1 1 152 152 ARG CB C 152 30.900 30.900 29.594 1.306 25135 16695 1 19 . 1 1 152 152 ARG H H 152 8.120 8.120 8.184 -0.064 25135 16696 1 19 . 1 1 153 153 ARG N N 153 123.100 123.100 121.204 1.896 25135 16697 1 19 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.514 -0.154 25135 16698 1 19 . 1 1 153 153 ARG C C 153 174.900 174.900 174.305 0.595 25135 16699 1 19 . 1 1 153 153 ARG CA C 153 56.000 56.000 56.117 -0.117 25135 16700 1 19 . 1 1 153 153 ARG CB C 153 31.000 31.000 31.524 -0.524 25135 16701 1 19 . 1 1 153 153 ARG H H 153 8.380 8.380 7.506 0.874 25135 16702 1 20 . 1 1 2 2 GLU N N 2 120.000 120.000 120.548 -0.548 25135 16703 1 20 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.065 -0.085 25135 16704 1 20 . 1 1 2 2 GLU C C 2 178.400 178.400 177.724 0.676 25135 16705 1 20 . 1 1 2 2 GLU CA C 2 59.400 59.400 59.723 -0.323 25135 16706 1 20 . 1 1 2 2 GLU CB C 2 29.200 29.200 29.197 0.003 25135 16707 1 20 . 1 1 2 2 GLU H H 2 8.140 8.140 8.893 -0.753 25135 16708 1 20 . 1 1 3 3 ASN N N 3 117.300 117.300 115.128 2.172 25135 16709 1 20 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.659 -0.019 25135 16710 1 20 . 1 1 3 3 ASN C C 3 177.900 177.900 176.560 1.340 25135 16711 1 20 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.734 1.066 25135 16712 1 20 . 1 1 3 3 ASN CB C 3 39.000 39.000 38.151 0.849 25135 16713 1 20 . 1 1 3 3 ASN H H 3 7.960 7.960 8.657 -0.697 25135 16714 1 20 . 1 1 4 4 LEU N N 4 119.700 119.700 122.474 -2.774 25135 16715 1 20 . 1 1 4 4 LEU HA H 4 4.030 4.030 3.992 0.038 25135 16716 1 20 . 1 1 4 4 LEU C C 4 177.900 177.900 178.399 -0.499 25135 16717 1 20 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.629 -0.229 25135 16718 1 20 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.826 0.174 25135 16719 1 20 . 1 1 4 4 LEU H H 4 8.450 8.450 8.134 0.316 25135 16720 1 20 . 1 1 5 5 LYS N N 5 118.200 118.200 116.544 1.656 25135 16721 1 20 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.051 -0.111 25135 16722 1 20 . 1 1 5 5 LYS C C 5 179.200 179.200 179.509 -0.309 25135 16723 1 20 . 1 1 5 5 LYS CA C 5 60.000 60.000 58.457 1.543 25135 16724 1 20 . 1 1 5 5 LYS CB C 5 31.900 31.900 31.541 0.359 25135 16725 1 20 . 1 1 5 5 LYS H H 5 7.940 7.940 7.854 0.086 25135 16726 1 20 . 1 1 6 6 HIS N N 6 118.400 118.400 119.818 -1.418 25135 16727 1 20 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.489 -0.069 25135 16728 1 20 . 1 1 6 6 HIS C C 6 178.200 178.200 177.618 0.582 25135 16729 1 20 . 1 1 6 6 HIS CA C 6 59.100 59.100 59.322 -0.222 25135 16730 1 20 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.441 0.459 25135 16731 1 20 . 1 1 6 6 HIS H H 6 7.710 7.710 7.803 -0.093 25135 16732 1 20 . 1 1 7 7 ILE N N 7 120.300 120.300 121.235 -0.935 25135 16733 1 20 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.511 -0.071 25135 16734 1 20 . 1 1 7 7 ILE C C 7 176.500 176.500 177.427 -0.927 25135 16735 1 20 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.553 0.447 25135 16736 1 20 . 1 1 7 7 ILE CB C 7 38.700 38.700 37.998 0.702 25135 16737 1 20 . 1 1 7 7 ILE H H 7 7.950 7.950 8.407 -0.457 25135 16738 1 20 . 1 1 8 8 ILE N N 8 120.200 120.200 119.609 0.591 25135 16739 1 20 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.433 0.147 25135 16740 1 20 . 1 1 8 8 ILE C C 8 178.000 178.000 177.799 0.201 25135 16741 1 20 . 1 1 8 8 ILE CA C 8 65.800 65.800 66.050 -0.250 25135 16742 1 20 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.568 1.032 25135 16743 1 20 . 1 1 8 8 ILE H H 8 8.450 8.450 8.836 -0.386 25135 16744 1 20 . 1 1 9 9 THR N N 9 115.400 115.400 114.583 0.817 25135 16745 1 20 . 1 1 9 9 THR HA H 9 3.880 3.880 3.916 -0.036 25135 16746 1 20 . 1 1 9 9 THR C C 9 176.300 176.300 176.576 -0.276 25135 16747 1 20 . 1 1 9 9 THR CA C 9 66.900 66.900 66.290 0.611 25135 16748 1 20 . 1 1 9 9 THR CB C 9 68.800 68.800 68.826 -0.026 25135 16749 1 20 . 1 1 9 9 THR H H 9 8.120 8.120 7.422 0.698 25135 16750 1 20 . 1 1 10 10 LEU N N 10 122.100 122.100 121.649 0.451 25135 16751 1 20 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.072 -0.022 25135 16752 1 20 . 1 1 10 10 LEU C C 10 178.800 178.800 178.259 0.541 25135 16753 1 20 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.813 1.087 25135 16754 1 20 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.225 1.075 25135 16755 1 20 . 1 1 10 10 LEU H H 10 7.950 7.950 7.443 0.507 25135 16756 1 20 . 1 1 11 11 GLY N N 11 105.800 105.800 105.184 0.616 25135 16757 1 20 . 1 1 11 11 GLY C C 11 174.700 174.700 176.244 -1.544 25135 16758 1 20 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.129 0.371 25135 16759 1 20 . 1 1 11 11 GLY H H 11 8.660 8.660 8.547 0.113 25135 16760 1 20 . 1 1 12 12 GLN N N 12 119.600 119.600 120.022 -0.422 25135 16761 1 20 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.330 -0.340 25135 16762 1 20 . 1 1 12 12 GLN C C 12 179.600 179.600 178.673 0.927 25135 16763 1 20 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.529 1.771 25135 16764 1 20 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.439 -0.539 25135 16765 1 20 . 1 1 12 12 GLN H H 12 8.050 8.050 7.465 0.585 25135 16766 1 20 . 1 1 13 13 VAL N N 13 122.600 122.600 122.036 0.564 25135 16767 1 20 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.575 0.095 25135 16768 1 20 . 1 1 13 13 VAL C C 13 178.500 178.500 177.638 0.862 25135 16769 1 20 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.872 -0.172 25135 16770 1 20 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.674 0.226 25135 16771 1 20 . 1 1 13 13 VAL H H 13 8.300 8.300 7.821 0.479 25135 16772 1 20 . 1 1 14 14 ILE N N 14 121.000 121.000 119.048 1.952 25135 16773 1 20 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.732 -0.262 25135 16774 1 20 . 1 1 14 14 ILE C C 14 177.700 177.700 178.162 -0.462 25135 16775 1 20 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.087 0.714 25135 16776 1 20 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.856 0.544 25135 16777 1 20 . 1 1 14 14 ILE H H 14 8.480 8.480 8.536 -0.056 25135 16778 1 20 . 1 1 15 15 HIS N N 15 118.900 118.900 118.270 0.630 25135 16779 1 20 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.407 -0.507 25135 16780 1 20 . 1 1 15 15 HIS C C 15 176.200 176.200 177.052 -0.852 25135 16781 1 20 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.056 2.244 25135 16782 1 20 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.227 -0.227 25135 16783 1 20 . 1 1 15 15 HIS H H 15 8.250 8.250 7.575 0.675 25135 16784 1 20 . 1 1 16 16 LYS N N 16 118.500 118.500 119.950 -1.450 25135 16785 1 20 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.679 -0.009 25135 16786 1 20 . 1 1 16 16 LYS C C 16 179.200 179.200 178.877 0.323 25135 16787 1 20 . 1 1 16 16 LYS CA C 16 59.500 59.500 59.147 0.353 25135 16788 1 20 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.123 0.377 25135 16789 1 20 . 1 1 16 16 LYS H H 16 7.820 7.820 8.185 -0.365 25135 16790 1 20 . 1 1 17 17 ARG N N 17 117.600 117.600 118.835 -1.235 25135 16791 1 20 . 1 1 17 17 ARG HA H 17 3.960 3.960 4.026 -0.066 25135 16792 1 20 . 1 1 17 17 ARG C C 17 180.600 180.600 177.346 3.254 25135 16793 1 20 . 1 1 17 17 ARG CA C 17 59.200 59.200 59.064 0.136 25135 16794 1 20 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.169 0.331 25135 16795 1 20 . 1 1 17 17 ARG H H 17 8.330 8.330 8.667 -0.337 25135 16796 1 20 . 1 1 18 18 CYS N N 18 118.100 118.100 114.794 3.306 25135 16797 1 20 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.273 -0.383 25135 16798 1 20 . 1 1 18 18 CYS C C 18 177.300 177.300 177.734 -0.434 25135 16799 1 20 . 1 1 18 18 CYS CA C 18 65.900 65.900 60.078 5.822 25135 16800 1 20 . 1 1 18 18 CYS CB C 18 27.600 27.600 28.389 -0.788 25135 16801 1 20 . 1 1 18 18 CYS H H 18 8.550 8.550 7.489 1.062 25135 16802 1 20 . 1 1 19 19 GLU N N 19 117.900 117.900 120.475 -2.575 25135 16803 1 20 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.057 -0.247 25135 16804 1 20 . 1 1 19 19 GLU C C 19 177.100 177.100 177.471 -0.371 25135 16805 1 20 . 1 1 19 19 GLU CA C 19 58.300 58.300 58.975 -0.675 25135 16806 1 20 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.729 0.271 25135 16807 1 20 . 1 1 19 19 GLU H H 19 7.540 7.540 7.776 -0.236 25135 16808 1 20 . 1 1 20 20 GLU N N 20 115.400 115.400 113.566 1.834 25135 16809 1 20 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.348 -0.128 25135 16810 1 20 . 1 1 20 20 GLU C C 20 177.100 177.100 176.781 0.319 25135 16811 1 20 . 1 1 20 20 GLU CA C 20 55.900 55.900 55.428 0.472 25135 16812 1 20 . 1 1 20 20 GLU CB C 20 30.600 30.600 29.525 1.075 25135 16813 1 20 . 1 1 20 20 GLU H H 20 7.190 7.190 7.571 -0.381 25135 16814 1 20 . 1 1 21 21 MET N N 21 120.500 120.500 119.603 0.897 25135 16815 1 20 . 1 1 21 21 MET HA H 21 4.260 4.260 4.274 -0.014 25135 16816 1 20 . 1 1 21 21 MET C C 21 177.800 177.800 176.163 1.637 25135 16817 1 20 . 1 1 21 21 MET CA C 21 56.400 56.400 55.343 1.057 25135 16818 1 20 . 1 1 21 21 MET CB C 21 33.300 33.300 32.740 0.560 25135 16819 1 20 . 1 1 21 21 MET H H 21 6.940 6.940 7.356 -0.416 25135 16820 1 20 . 1 1 22 22 LYS N N 22 120.500 120.500 123.884 -3.384 25135 16821 1 20 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.229 -0.279 25135 16822 1 20 . 1 1 22 22 LYS C C 22 175.400 175.400 175.880 -0.480 25135 16823 1 20 . 1 1 22 22 LYS CA C 22 57.000 57.000 56.846 0.154 25135 16824 1 20 . 1 1 22 22 LYS CB C 22 33.600 33.600 33.006 0.594 25135 16825 1 20 . 1 1 22 22 LYS H H 22 8.760 8.760 8.825 -0.065 25135 16826 1 20 . 1 1 23 23 TYR N N 23 115.500 115.500 116.290 -0.790 25135 16827 1 20 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.578 0.332 25135 16828 1 20 . 1 1 23 23 TYR C C 23 173.700 173.700 174.650 -0.950 25135 16829 1 20 . 1 1 23 23 TYR CA C 23 55.000 55.000 57.027 -2.027 25135 16830 1 20 . 1 1 23 23 TYR CB C 23 41.900 41.900 41.706 0.194 25135 16831 1 20 . 1 1 23 23 TYR H H 23 7.260 7.260 7.538 -0.278 25135 16832 1 20 . 1 1 24 24 CYS N N 24 113.600 113.600 114.722 -1.122 25135 16833 1 20 . 1 1 24 24 CYS HA H 24 3.700 3.700 4.046 -0.346 25135 16834 1 20 . 1 1 24 24 CYS C C 24 174.700 174.700 175.447 -0.747 25135 16835 1 20 . 1 1 24 24 CYS CA C 24 60.400 60.400 59.493 0.907 25135 16836 1 20 . 1 1 24 24 CYS CB C 24 26.100 26.100 27.463 -1.363 25135 16837 1 20 . 1 1 24 24 CYS H H 24 8.720 8.720 9.050 -0.330 25135 16838 1 20 . 1 1 25 25 LYS N N 25 115.800 115.800 120.305 -4.505 25135 16839 1 20 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.924 -0.344 25135 16840 1 20 . 1 1 25 25 LYS C C 25 179.800 179.800 178.328 1.472 25135 16841 1 20 . 1 1 25 25 LYS CA C 25 60.700 60.700 59.221 1.479 25135 16842 1 20 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.042 1.258 25135 16843 1 20 . 1 1 25 25 LYS H H 25 8.050 8.050 8.525 -0.475 25135 16844 1 20 . 1 1 26 26 LYS N N 26 121.000 121.000 119.575 1.425 25135 16845 1 20 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.916 0.074 25135 16846 1 20 . 1 1 26 26 LYS C C 26 181.300 181.300 179.349 1.951 25135 16847 1 20 . 1 1 26 26 LYS CA C 26 59.000 59.000 60.134 -1.134 25135 16848 1 20 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.799 -1.399 25135 16849 1 20 . 1 1 26 26 LYS H H 26 10.600 10.600 8.389 2.211 25135 16850 1 20 . 1 1 27 27 GLN N N 27 120.500 120.500 118.633 1.867 25135 16851 1 20 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.369 -0.399 25135 16852 1 20 . 1 1 27 27 GLN C C 27 180.200 180.200 178.406 1.794 25135 16853 1 20 . 1 1 27 27 GLN CA C 27 59.300 59.300 59.256 0.044 25135 16854 1 20 . 1 1 27 27 GLN CB C 27 32.100 32.100 29.117 2.983 25135 16855 1 20 . 1 1 27 27 GLN H H 27 9.890 9.890 7.851 2.039 25135 16856 1 20 . 1 1 28 28 CYS N N 28 118.800 118.800 118.862 -0.062 25135 16857 1 20 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.756 0.454 25135 16858 1 20 . 1 1 28 28 CYS C C 28 176.200 176.200 176.784 -0.584 25135 16859 1 20 . 1 1 28 28 CYS CA C 28 64.300 64.300 64.422 -0.122 25135 16860 1 20 . 1 1 28 28 CYS CB C 28 26.800 26.800 27.318 -0.518 25135 16861 1 20 . 1 1 28 28 CYS H H 28 8.550 8.550 8.781 -0.231 25135 16862 1 20 . 1 1 29 29 ARG N N 29 119.300 119.300 118.812 0.488 25135 16863 1 20 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.957 -0.087 25135 16864 1 20 . 1 1 29 29 ARG C C 29 178.900 178.900 178.935 -0.035 25135 16865 1 20 . 1 1 29 29 ARG CA C 29 59.300 59.300 59.705 -0.405 25135 16866 1 20 . 1 1 29 29 ARG CB C 29 29.200 29.200 29.776 -0.576 25135 16867 1 20 . 1 1 29 29 ARG H H 29 8.700 8.700 8.499 0.201 25135 16868 1 20 . 1 1 30 30 ARG N N 30 119.700 119.700 119.100 0.600 25135 16869 1 20 . 1 1 30 30 ARG HA H 30 3.890 3.890 4.072 -0.182 25135 16870 1 20 . 1 1 30 30 ARG C C 30 178.000 178.000 178.487 -0.487 25135 16871 1 20 . 1 1 30 30 ARG CA C 30 58.200 58.200 58.900 -0.700 25135 16872 1 20 . 1 1 30 30 ARG CB C 30 29.100 29.100 29.575 -0.475 25135 16873 1 20 . 1 1 30 30 ARG H H 30 7.810 7.810 7.517 0.293 25135 16874 1 20 . 1 1 31 31 LEU N N 31 120.600 120.600 120.702 -0.102 25135 16875 1 20 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.511 0.529 25135 16876 1 20 . 1 1 31 31 LEU C C 31 178.400 178.400 178.084 0.316 25135 16877 1 20 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.768 0.532 25135 16878 1 20 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.243 -0.043 25135 16879 1 20 . 1 1 31 31 LEU H H 31 7.310 7.310 8.019 -0.709 25135 16880 1 20 . 1 1 32 32 GLY N N 32 105.200 105.200 105.527 -0.327 25135 16881 1 20 . 1 1 32 32 GLY C C 32 175.600 175.600 175.815 -0.215 25135 16882 1 20 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.217 1.183 25135 16883 1 20 . 1 1 32 32 GLY H H 32 7.960 7.960 8.157 -0.197 25135 16884 1 20 . 1 1 33 33 HIS N N 33 120.500 120.500 122.469 -1.969 25135 16885 1 20 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.207 0.023 25135 16886 1 20 . 1 1 33 33 HIS C C 33 179.400 179.400 178.039 1.361 25135 16887 1 20 . 1 1 33 33 HIS CA C 33 59.600 59.600 60.128 -0.528 25135 16888 1 20 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.125 0.475 25135 16889 1 20 . 1 1 33 33 HIS H H 33 8.340 8.340 8.564 -0.224 25135 16890 1 20 . 1 1 34 34 ARG N N 34 121.900 121.900 118.852 3.048 25135 16891 1 20 . 1 1 34 34 ARG HA H 34 3.870 3.870 4.041 -0.171 25135 16892 1 20 . 1 1 34 34 ARG C C 34 179.600 179.600 178.435 1.165 25135 16893 1 20 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.180 0.320 25135 16894 1 20 . 1 1 34 34 ARG CB C 34 30.100 30.100 29.861 0.239 25135 16895 1 20 . 1 1 34 34 ARG H H 34 8.680 8.680 8.486 0.194 25135 16896 1 20 . 1 1 35 35 VAL N N 35 118.500 118.500 120.770 -2.270 25135 16897 1 20 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.480 -0.070 25135 16898 1 20 . 1 1 35 35 VAL C C 35 177.600 177.600 178.321 -0.721 25135 16899 1 20 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.484 1.316 25135 16900 1 20 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.401 -0.101 25135 16901 1 20 . 1 1 35 35 VAL H H 35 8.500 8.500 8.027 0.473 25135 16902 1 20 . 1 1 36 36 LEU N N 36 118.300 118.300 119.929 -1.629 25135 16903 1 20 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.733 0.167 25135 16904 1 20 . 1 1 36 36 LEU C C 36 179.600 179.600 178.711 0.889 25135 16905 1 20 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.787 0.213 25135 16906 1 20 . 1 1 36 36 LEU CB C 36 41.400 41.400 40.924 0.476 25135 16907 1 20 . 1 1 36 36 LEU H H 36 7.890 7.890 8.721 -0.831 25135 16908 1 20 . 1 1 37 37 GLY N N 37 104.900 104.900 105.891 -0.991 25135 16909 1 20 . 1 1 37 37 GLY C C 37 175.700 175.700 175.413 0.287 25135 16910 1 20 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.926 -0.226 25135 16911 1 20 . 1 1 37 37 GLY H H 37 7.760 7.760 7.506 0.254 25135 16912 1 20 . 1 1 38 38 LEU N N 38 120.500 120.500 119.529 0.971 25135 16913 1 20 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.772 -0.182 25135 16914 1 20 . 1 1 38 38 LEU C C 38 176.900 176.900 178.173 -1.273 25135 16915 1 20 . 1 1 38 38 LEU CA C 38 56.500 56.500 55.967 0.533 25135 16916 1 20 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.309 -0.709 25135 16917 1 20 . 1 1 38 38 LEU H H 38 7.720 7.720 7.479 0.241 25135 16918 1 20 . 1 1 39 39 ILE N N 39 108.700 108.700 116.772 -8.072 25135 16919 1 20 . 1 1 39 39 ILE HA H 39 4.190 4.190 4.004 0.186 25135 16920 1 20 . 1 1 39 39 ILE C C 39 178.100 178.100 177.113 0.987 25135 16921 1 20 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.587 -0.886 25135 16922 1 20 . 1 1 39 39 ILE CB C 39 38.500 38.500 37.920 0.580 25135 16923 1 20 . 1 1 39 39 ILE H H 39 7.540 7.540 7.446 0.094 25135 16924 1 20 . 1 1 40 40 LYS N N 40 122.800 122.800 122.399 0.401 25135 16925 1 20 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.255 0.175 25135 16926 1 20 . 1 1 40 40 LYS CA C 40 60.700 60.700 59.599 1.101 25135 16927 1 20 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.438 -0.038 25135 16928 1 20 . 1 1 40 40 LYS H H 40 7.600 7.600 8.400 -0.800 25135 16929 1 20 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.390 0.040 25135 16930 1 20 . 1 1 41 41 PRO C C 41 178.700 178.700 179.098 -0.398 25135 16931 1 20 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.324 0.176 25135 16932 1 20 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.527 0.073 25135 16933 1 20 . 1 1 42 42 LEU N N 42 114.400 114.400 119.042 -4.642 25135 16934 1 20 . 1 1 42 42 LEU HA H 42 4.060 4.060 3.993 0.067 25135 16935 1 20 . 1 1 42 42 LEU C C 42 178.800 178.800 178.888 -0.088 25135 16936 1 20 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.805 -0.705 25135 16937 1 20 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.086 -0.786 25135 16938 1 20 . 1 1 42 42 LEU H H 42 7.200 7.200 7.779 -0.579 25135 16939 1 20 . 1 1 43 43 GLU N N 43 119.200 119.200 118.700 0.500 25135 16940 1 20 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.957 -0.037 25135 16941 1 20 . 1 1 43 43 GLU C C 43 179.100 179.100 178.598 0.502 25135 16942 1 20 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.344 0.156 25135 16943 1 20 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.377 0.723 25135 16944 1 20 . 1 1 43 43 GLU H H 43 8.120 8.120 8.026 0.094 25135 16945 1 20 . 1 1 44 44 MET N N 44 116.500 116.500 115.030 1.470 25135 16946 1 20 . 1 1 44 44 MET HA H 44 4.310 4.310 4.315 -0.005 25135 16947 1 20 . 1 1 44 44 MET C C 44 177.900 177.900 177.249 0.651 25135 16948 1 20 . 1 1 44 44 MET CA C 44 57.600 57.600 57.262 0.338 25135 16949 1 20 . 1 1 44 44 MET CB C 44 32.500 32.500 33.119 -0.619 25135 16950 1 20 . 1 1 44 44 MET H H 44 7.600 7.600 7.552 0.048 25135 16951 1 20 . 1 1 45 45 LEU N N 45 119.900 119.900 117.869 2.031 25135 16952 1 20 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.313 -0.163 25135 16953 1 20 . 1 1 45 45 LEU C C 45 178.000 178.000 178.733 -0.733 25135 16954 1 20 . 1 1 45 45 LEU CA C 45 56.600 56.600 57.535 -0.935 25135 16955 1 20 . 1 1 45 45 LEU CB C 45 42.000 42.000 43.028 -1.028 25135 16956 1 20 . 1 1 45 45 LEU H H 45 7.620 7.620 7.815 -0.195 25135 16957 1 20 . 1 1 46 46 GLN N N 46 118.300 118.300 118.210 0.090 25135 16958 1 20 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.171 -0.151 25135 16959 1 20 . 1 1 46 46 GLN C C 46 176.500 176.500 178.494 -1.994 25135 16960 1 20 . 1 1 46 46 GLN CA C 46 57.700 57.700 57.885 -0.185 25135 16961 1 20 . 1 1 46 46 GLN CB C 46 29.500 29.500 27.941 1.559 25135 16962 1 20 . 1 1 46 46 GLN H H 46 7.950 7.950 8.642 -0.692 25135 16963 1 20 . 1 1 47 47 ASP N N 47 119.000 119.000 120.718 -1.718 25135 16964 1 20 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.293 0.277 25135 16965 1 20 . 1 1 47 47 ASP C C 47 176.900 176.900 178.351 -1.451 25135 16966 1 20 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.853 -1.553 25135 16967 1 20 . 1 1 47 47 ASP CB C 47 41.300 41.300 40.648 0.652 25135 16968 1 20 . 1 1 47 47 ASP H H 47 7.890 7.890 7.950 -0.060 25135 16969 1 20 . 1 1 48 48 GLN N N 48 119.500 119.500 116.181 3.319 25135 16970 1 20 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.114 0.117 25135 16971 1 20 . 1 1 48 48 GLN C C 48 177.200 177.200 177.596 -0.396 25135 16972 1 20 . 1 1 48 48 GLN CA C 48 56.700 56.700 56.800 -0.100 25135 16973 1 20 . 1 1 48 48 GLN CB C 48 29.300 29.300 28.604 0.696 25135 16974 1 20 . 1 1 48 48 GLN H H 48 8.080 8.080 8.021 0.059 25135 16975 1 20 . 1 1 49 49 GLY N N 49 108.100 108.100 109.173 -1.073 25135 16976 1 20 . 1 1 49 49 GLY C C 49 174.300 174.300 174.906 -0.606 25135 16977 1 20 . 1 1 49 49 GLY CA C 49 46.000 46.000 46.007 -0.007 25135 16978 1 20 . 1 1 49 49 GLY H H 49 8.270 8.270 7.975 0.295 25135 16979 1 20 . 1 1 50 50 LYS N N 50 120.200 120.200 118.004 2.196 25135 16980 1 20 . 1 1 50 50 LYS HA H 50 4.320 4.320 4.212 0.108 25135 16981 1 20 . 1 1 50 50 LYS C C 50 176.400 176.400 176.861 -0.461 25135 16982 1 20 . 1 1 50 50 LYS CA C 50 56.500 56.500 56.804 -0.304 25135 16983 1 20 . 1 1 50 50 LYS CB C 50 32.900 32.900 33.694 -0.794 25135 16984 1 20 . 1 1 50 50 LYS H H 50 8.130 8.130 8.049 0.081 25135 16985 1 20 . 1 1 51 51 ARG N N 51 121.300 121.300 118.794 2.506 25135 16986 1 20 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.464 -0.004 25135 16987 1 20 . 1 1 51 51 ARG C C 51 176.100 176.100 173.918 2.182 25135 16988 1 20 . 1 1 51 51 ARG CA C 51 56.000 56.000 56.323 -0.323 25135 16989 1 20 . 1 1 51 51 ARG CB C 51 31.200 31.200 32.016 -0.816 25135 16990 1 20 . 1 1 51 51 ARG H H 51 8.260 8.260 7.824 0.436 25135 16991 1 20 . 1 1 52 52 SER N N 52 116.900 116.900 118.390 -1.490 25135 16992 1 20 . 1 1 52 52 SER HA H 52 4.550 4.550 4.696 -0.146 25135 16993 1 20 . 1 1 52 52 SER C C 52 173.900 173.900 173.130 0.770 25135 16994 1 20 . 1 1 52 52 SER CA C 52 57.800 57.800 57.907 -0.107 25135 16995 1 20 . 1 1 52 52 SER CB C 52 64.300 64.300 64.864 -0.563 25135 16996 1 20 . 1 1 52 52 SER H H 52 8.150 8.150 8.558 -0.408 25135 16997 1 20 . 1 1 53 53 VAL N N 53 124.300 124.300 125.072 -0.772 25135 16998 1 20 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.125 0.165 25135 16999 1 20 . 1 1 53 53 VAL CA C 53 60.400 60.400 60.574 -0.174 25135 17000 1 20 . 1 1 53 53 VAL CB C 53 32.500 32.500 32.593 -0.093 25135 17001 1 20 . 1 1 53 53 VAL H H 53 8.420 8.420 8.408 0.012 25135 17002 1 20 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.535 -0.045 25135 17003 1 20 . 1 1 54 54 PRO C C 54 176.600 176.600 176.298 0.302 25135 17004 1 20 . 1 1 54 54 PRO CA C 54 62.500 62.500 62.868 -0.368 25135 17005 1 20 . 1 1 54 54 PRO CB C 54 32.600 32.600 30.095 2.505 25135 17006 1 20 . 1 1 55 55 SER N N 55 119.500 119.500 117.903 1.597 25135 17007 1 20 . 1 1 55 55 SER HA H 55 4.370 4.370 4.277 0.093 25135 17008 1 20 . 1 1 55 55 SER C C 55 175.500 175.500 175.938 -0.438 25135 17009 1 20 . 1 1 55 55 SER CA C 55 58.200 58.200 59.275 -1.075 25135 17010 1 20 . 1 1 55 55 SER CB C 55 64.200 64.200 64.696 -0.496 25135 17011 1 20 . 1 1 55 55 SER H H 55 8.970 8.970 8.381 0.589 25135 17012 1 20 . 1 1 56 56 GLU N N 56 123.000 123.000 123.250 -0.250 25135 17013 1 20 . 1 1 56 56 GLU HA H 56 4.140 4.140 4.050 0.090 25135 17014 1 20 . 1 1 56 56 GLU C C 56 179.300 179.300 178.738 0.562 25135 17015 1 20 . 1 1 56 56 GLU CA C 56 59.700 59.700 59.890 -0.190 25135 17016 1 20 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.709 -0.509 25135 17017 1 20 . 1 1 56 56 GLU H H 56 9.030 9.030 9.007 0.023 25135 17018 1 20 . 1 1 57 57 LYS N N 57 118.900 118.900 118.176 0.724 25135 17019 1 20 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.023 -0.023 25135 17020 1 20 . 1 1 57 57 LYS C C 57 179.400 179.400 178.080 1.320 25135 17021 1 20 . 1 1 57 57 LYS CA C 57 59.600 59.600 59.294 0.305 25135 17022 1 20 . 1 1 57 57 LYS CB C 57 32.700 32.700 32.034 0.666 25135 17023 1 20 . 1 1 57 57 LYS H H 57 8.150 8.150 8.503 -0.353 25135 17024 1 20 . 1 1 58 58 LEU N N 58 122.800 122.800 120.613 2.187 25135 17025 1 20 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.099 0.001 25135 17026 1 20 . 1 1 58 58 LEU C C 58 178.200 178.200 178.365 -0.165 25135 17027 1 20 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.014 0.286 25135 17028 1 20 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.313 -0.813 25135 17029 1 20 . 1 1 58 58 LEU H H 58 8.420 8.420 7.800 0.620 25135 17030 1 20 . 1 1 59 59 THR N N 59 117.800 117.800 113.393 4.407 25135 17031 1 20 . 1 1 59 59 THR HA H 59 3.730 3.730 3.994 -0.264 25135 17032 1 20 . 1 1 59 59 THR C C 59 176.800 176.800 176.467 0.333 25135 17033 1 20 . 1 1 59 59 THR CA C 59 67.500 67.500 66.907 0.593 25135 17034 1 20 . 1 1 59 59 THR CB C 59 68.400 68.400 68.391 0.009 25135 17035 1 20 . 1 1 59 59 THR H H 59 8.600 8.600 8.357 0.243 25135 17036 1 20 . 1 1 60 60 THR N N 60 118.300 118.300 117.441 0.859 25135 17037 1 20 . 1 1 60 60 THR HA H 60 3.980 3.980 4.010 -0.030 25135 17038 1 20 . 1 1 60 60 THR C C 60 176.400 176.400 175.868 0.532 25135 17039 1 20 . 1 1 60 60 THR CA C 60 66.900 66.900 66.828 0.072 25135 17040 1 20 . 1 1 60 60 THR CB C 60 68.400 68.400 68.738 -0.338 25135 17041 1 20 . 1 1 60 60 THR H H 60 8.390 8.390 7.662 0.728 25135 17042 1 20 . 1 1 61 61 ALA N N 61 124.900 124.900 124.348 0.552 25135 17043 1 20 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.193 -0.073 25135 17044 1 20 . 1 1 61 61 ALA C C 61 180.000 180.000 179.632 0.368 25135 17045 1 20 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.286 0.514 25135 17046 1 20 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.223 0.577 25135 17047 1 20 . 1 1 61 61 ALA H H 61 8.090 8.090 7.767 0.323 25135 17048 1 20 . 1 1 62 62 MET N N 62 118.300 118.300 117.692 0.608 25135 17049 1 20 . 1 1 62 62 MET HA H 62 4.110 4.110 4.233 -0.123 25135 17050 1 20 . 1 1 62 62 MET C C 62 178.300 178.300 178.724 -0.424 25135 17051 1 20 . 1 1 62 62 MET CA C 62 59.600 59.600 59.752 -0.152 25135 17052 1 20 . 1 1 62 62 MET CB C 62 32.500 32.500 32.232 0.268 25135 17053 1 20 . 1 1 62 62 MET H H 62 8.820 8.820 8.706 0.114 25135 17054 1 20 . 1 1 63 63 ASN N N 63 119.500 119.500 118.566 0.934 25135 17055 1 20 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.500 0.080 25135 17056 1 20 . 1 1 63 63 ASN C C 63 179.000 179.000 177.828 1.172 25135 17057 1 20 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.826 -0.526 25135 17058 1 20 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.374 -0.674 25135 17059 1 20 . 1 1 63 63 ASN H H 63 8.320 8.320 8.767 -0.447 25135 17060 1 20 . 1 1 64 64 ARG N N 64 122.500 122.500 120.320 2.180 25135 17061 1 20 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.168 0.022 25135 17062 1 20 . 1 1 64 64 ARG C C 64 179.300 179.300 179.073 0.227 25135 17063 1 20 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.193 0.507 25135 17064 1 20 . 1 1 64 64 ARG CB C 64 30.700 30.700 29.976 0.724 25135 17065 1 20 . 1 1 64 64 ARG H H 64 8.560 8.560 8.045 0.515 25135 17066 1 20 . 1 1 65 65 PHE N N 65 123.100 123.100 122.430 0.670 25135 17067 1 20 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.304 0.166 25135 17068 1 20 . 1 1 65 65 PHE C C 65 176.400 176.400 176.956 -0.556 25135 17069 1 20 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.517 1.083 25135 17070 1 20 . 1 1 65 65 PHE CB C 65 39.400 39.400 38.946 0.454 25135 17071 1 20 . 1 1 65 65 PHE H H 65 8.560 8.560 8.807 -0.247 25135 17072 1 20 . 1 1 66 66 LYS N N 66 119.800 119.800 119.695 0.105 25135 17073 1 20 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.793 -0.173 25135 17074 1 20 . 1 1 66 66 LYS C C 66 177.600 177.600 178.867 -1.267 25135 17075 1 20 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.678 1.022 25135 17076 1 20 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.297 0.203 25135 17077 1 20 . 1 1 66 66 LYS H H 66 8.610 8.610 8.889 -0.279 25135 17078 1 20 . 1 1 67 67 ALA N N 67 119.000 119.000 121.291 -2.291 25135 17079 1 20 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.142 0.088 25135 17080 1 20 . 1 1 67 67 ALA C C 67 180.400 180.400 179.294 1.106 25135 17081 1 20 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.739 0.261 25135 17082 1 20 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.578 -0.578 25135 17083 1 20 . 1 1 67 67 ALA H H 67 8.000 8.000 8.298 -0.298 25135 17084 1 20 . 1 1 68 68 ALA N N 68 122.200 122.200 121.888 0.312 25135 17085 1 20 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.094 0.096 25135 17086 1 20 . 1 1 68 68 ALA C C 68 179.800 179.800 179.818 -0.018 25135 17087 1 20 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.862 0.338 25135 17088 1 20 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.316 -0.516 25135 17089 1 20 . 1 1 68 68 ALA H H 68 7.950 7.950 8.372 -0.422 25135 17090 1 20 . 1 1 69 69 LEU N N 69 118.900 118.900 119.417 -0.517 25135 17091 1 20 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.843 0.007 25135 17092 1 20 . 1 1 69 69 LEU C C 69 179.200 179.200 179.019 0.181 25135 17093 1 20 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.248 -0.748 25135 17094 1 20 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.536 -0.136 25135 17095 1 20 . 1 1 69 69 LEU H H 69 8.020 8.020 8.499 -0.479 25135 17096 1 20 . 1 1 70 70 GLU N N 70 120.500 120.500 118.363 2.137 25135 17097 1 20 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.876 0.064 25135 17098 1 20 . 1 1 70 70 GLU C C 70 180.500 180.500 178.959 1.541 25135 17099 1 20 . 1 1 70 70 GLU CA C 70 59.900 59.900 60.107 -0.207 25135 17100 1 20 . 1 1 70 70 GLU CB C 70 29.200 29.200 29.083 0.117 25135 17101 1 20 . 1 1 70 70 GLU H H 70 8.590 8.590 7.789 0.801 25135 17102 1 20 . 1 1 71 71 GLU N N 71 122.200 122.200 118.482 3.718 25135 17103 1 20 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.109 -0.039 25135 17104 1 20 . 1 1 71 71 GLU C C 71 179.600 179.600 178.756 0.844 25135 17105 1 20 . 1 1 71 71 GLU CA C 71 59.400 59.400 59.079 0.321 25135 17106 1 20 . 1 1 71 71 GLU CB C 71 29.400 29.400 28.481 0.919 25135 17107 1 20 . 1 1 71 71 GLU H H 71 8.300 8.300 7.594 0.706 25135 17108 1 20 . 1 1 72 72 ALA N N 72 122.800 122.800 122.986 -0.186 25135 17109 1 20 . 1 1 72 72 ALA HA H 72 3.890 3.890 4.054 -0.164 25135 17110 1 20 . 1 1 72 72 ALA C C 72 178.500 178.500 179.976 -1.476 25135 17111 1 20 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.133 0.567 25135 17112 1 20 . 1 1 72 72 ALA CB C 72 17.200 17.200 18.070 -0.870 25135 17113 1 20 . 1 1 72 72 ALA H H 72 8.330 8.330 7.815 0.515 25135 17114 1 20 . 1 1 73 73 ASN N N 73 115.700 115.700 117.563 -1.863 25135 17115 1 20 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.348 0.102 25135 17116 1 20 . 1 1 73 73 ASN C C 73 177.600 177.600 177.976 -0.376 25135 17117 1 20 . 1 1 73 73 ASN CA C 73 56.300 56.300 56.098 0.202 25135 17118 1 20 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.127 0.773 25135 17119 1 20 . 1 1 73 73 ASN H H 73 8.460 8.460 8.686 -0.226 25135 17120 1 20 . 1 1 74 74 GLY N N 74 105.500 105.500 107.989 -2.489 25135 17121 1 20 . 1 1 74 74 GLY C C 74 177.100 177.100 176.378 0.722 25135 17122 1 20 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.947 0.053 25135 17123 1 20 . 1 1 74 74 GLY H H 74 8.070 8.070 8.618 -0.548 25135 17124 1 20 . 1 1 75 75 GLU N N 75 123.500 123.500 122.550 0.950 25135 17125 1 20 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.932 0.178 25135 17126 1 20 . 1 1 75 75 GLU C C 75 178.500 178.500 179.293 -0.793 25135 17127 1 20 . 1 1 75 75 GLU CA C 75 58.700 58.700 59.222 -0.522 25135 17128 1 20 . 1 1 75 75 GLU CB C 75 29.900 29.900 29.662 0.238 25135 17129 1 20 . 1 1 75 75 GLU H H 75 8.110 8.110 8.285 -0.175 25135 17130 1 20 . 1 1 76 76 ILE N N 76 120.300 120.300 119.115 1.185 25135 17131 1 20 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.958 -0.138 25135 17132 1 20 . 1 1 76 76 ILE C C 76 178.300 178.300 177.076 1.224 25135 17133 1 20 . 1 1 76 76 ILE CA C 76 65.500 65.500 64.888 0.612 25135 17134 1 20 . 1 1 76 76 ILE CB C 76 37.900 37.900 38.234 -0.334 25135 17135 1 20 . 1 1 76 76 ILE H H 76 8.330 8.330 8.338 -0.008 25135 17136 1 20 . 1 1 77 77 GLU N N 77 119.400 119.400 118.974 0.426 25135 17137 1 20 . 1 1 77 77 GLU HA H 77 3.920 3.920 4.007 -0.087 25135 17138 1 20 . 1 1 77 77 GLU C C 77 180.200 180.200 179.072 1.128 25135 17139 1 20 . 1 1 77 77 GLU CA C 77 59.700 59.700 58.942 0.758 25135 17140 1 20 . 1 1 77 77 GLU CB C 77 29.300 29.300 29.873 -0.573 25135 17141 1 20 . 1 1 77 77 GLU H H 77 7.860 7.860 8.102 -0.242 25135 17142 1 20 . 1 1 78 78 LYS N N 78 121.600 121.600 119.243 2.357 25135 17143 1 20 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.055 -0.155 25135 17144 1 20 . 1 1 78 78 LYS C C 78 179.200 179.200 178.202 0.998 25135 17145 1 20 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.167 1.732 25135 17146 1 20 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.377 -0.076 25135 17147 1 20 . 1 1 78 78 LYS H H 78 7.760 7.760 8.131 -0.371 25135 17148 1 20 . 1 1 79 79 PHE N N 79 115.900 115.900 116.489 -0.589 25135 17149 1 20 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.676 0.004 25135 17150 1 20 . 1 1 79 79 PHE C C 79 174.100 174.100 175.600 -1.500 25135 17151 1 20 . 1 1 79 79 PHE CA C 79 58.200 58.200 56.542 1.658 25135 17152 1 20 . 1 1 79 79 PHE CB C 79 36.900 36.900 38.138 -1.238 25135 17153 1 20 . 1 1 79 79 PHE H H 79 8.170 8.170 7.382 0.788 25135 17154 1 20 . 1 1 80 80 SER N N 80 113.300 113.300 114.623 -1.323 25135 17155 1 20 . 1 1 80 80 SER HA H 80 4.500 4.500 4.389 0.111 25135 17156 1 20 . 1 1 80 80 SER C C 80 173.700 173.700 174.363 -0.663 25135 17157 1 20 . 1 1 80 80 SER CA C 80 60.500 60.500 59.694 0.806 25135 17158 1 20 . 1 1 80 80 SER CB C 80 63.400 63.400 63.770 -0.370 25135 17159 1 20 . 1 1 80 80 SER H H 80 7.700 7.700 7.468 0.232 25135 17160 1 20 . 1 1 81 81 ASN N N 81 119.500 119.500 119.118 0.382 25135 17161 1 20 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.758 0.212 25135 17162 1 20 . 1 1 81 81 ASN CA C 81 52.100 52.100 52.839 -0.739 25135 17163 1 20 . 1 1 81 81 ASN CB C 81 40.300 40.300 39.258 1.042 25135 17164 1 20 . 1 1 81 81 ASN H H 81 7.290 7.290 7.898 -0.608 25135 17165 1 20 . 1 1 82 82 ARG N N 82 127.400 127.400 125.183 2.217 25135 17166 1 20 . 1 1 82 82 ARG HA H 82 3.590 3.590 3.027 0.563 25135 17167 1 20 . 1 1 82 82 ARG C C 82 177.700 177.700 177.537 0.163 25135 17168 1 20 . 1 1 82 82 ARG CA C 82 59.800 59.800 59.149 0.651 25135 17169 1 20 . 1 1 82 82 ARG CB C 82 30.100 30.100 29.092 1.008 25135 17170 1 20 . 1 1 82 82 ARG H H 82 9.050 9.050 8.639 0.411 25135 17171 1 20 . 1 1 83 83 SER N N 83 114.600 114.600 114.277 0.323 25135 17172 1 20 . 1 1 83 83 SER HA H 83 3.930 3.930 4.197 -0.267 25135 17173 1 20 . 1 1 83 83 SER C C 83 177.100 177.100 176.705 0.395 25135 17174 1 20 . 1 1 83 83 SER CA C 83 62.200 62.200 61.279 0.921 25135 17175 1 20 . 1 1 83 83 SER CB C 83 62.000 62.000 62.447 -0.447 25135 17176 1 20 . 1 1 83 83 SER H H 83 8.390 8.390 8.415 -0.025 25135 17177 1 20 . 1 1 84 84 ASN N N 84 119.700 119.700 120.105 -0.405 25135 17178 1 20 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.643 -0.043 25135 17179 1 20 . 1 1 84 84 ASN C C 84 179.100 179.100 177.999 1.101 25135 17180 1 20 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.838 -0.438 25135 17181 1 20 . 1 1 84 84 ASN CB C 84 37.600 37.600 38.554 -0.954 25135 17182 1 20 . 1 1 84 84 ASN H H 84 7.980 7.980 7.647 0.333 25135 17183 1 20 . 1 1 85 85 ILE N N 85 122.100 122.100 121.839 0.261 25135 17184 1 20 . 1 1 85 85 ILE HA H 85 3.820 3.820 4.002 -0.182 25135 17185 1 20 . 1 1 85 85 ILE C C 85 176.900 176.900 177.743 -0.843 25135 17186 1 20 . 1 1 85 85 ILE CA C 85 64.700 64.700 65.290 -0.590 25135 17187 1 20 . 1 1 85 85 ILE CB C 85 37.400 37.400 37.033 0.367 25135 17188 1 20 . 1 1 85 85 ILE H H 85 7.760 7.760 7.900 -0.140 25135 17189 1 20 . 1 1 86 86 CYS N N 86 119.200 119.200 117.042 2.158 25135 17190 1 20 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.459 0.481 25135 17191 1 20 . 1 1 86 86 CYS C C 86 177.400 177.400 176.940 0.460 25135 17192 1 20 . 1 1 86 86 CYS CA C 86 63.800 63.800 63.730 0.070 25135 17193 1 20 . 1 1 86 86 CYS CB C 86 26.900 26.900 26.887 0.013 25135 17194 1 20 . 1 1 86 86 CYS H H 86 8.330 8.330 8.158 0.172 25135 17195 1 20 . 1 1 87 87 ARG N N 87 119.200 119.200 119.621 -0.421 25135 17196 1 20 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.213 -0.193 25135 17197 1 20 . 1 1 87 87 ARG C C 87 178.500 178.500 178.717 -0.217 25135 17198 1 20 . 1 1 87 87 ARG CA C 87 59.500 59.500 58.560 0.940 25135 17199 1 20 . 1 1 87 87 ARG CB C 87 30.300 30.300 29.995 0.305 25135 17200 1 20 . 1 1 87 87 ARG H H 87 7.900 7.900 7.355 0.545 25135 17201 1 20 . 1 1 88 88 PHE N N 88 120.300 120.300 121.423 -1.123 25135 17202 1 20 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.419 -0.199 25135 17203 1 20 . 1 1 88 88 PHE C C 88 177.200 177.200 177.802 -0.602 25135 17204 1 20 . 1 1 88 88 PHE CA C 88 61.500 61.500 60.794 0.706 25135 17205 1 20 . 1 1 88 88 PHE CB C 88 39.800 39.800 38.591 1.209 25135 17206 1 20 . 1 1 88 88 PHE H H 88 7.760 7.760 8.550 -0.790 25135 17207 1 20 . 1 1 89 89 LEU N N 89 117.900 117.900 119.580 -1.680 25135 17208 1 20 . 1 1 89 89 LEU HA H 89 3.640 3.640 3.275 0.365 25135 17209 1 20 . 1 1 89 89 LEU C C 89 178.700 178.700 178.678 0.022 25135 17210 1 20 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.179 0.221 25135 17211 1 20 . 1 1 89 89 LEU CB C 89 41.600 41.600 40.949 0.651 25135 17212 1 20 . 1 1 89 89 LEU H H 89 8.590 8.590 7.749 0.841 25135 17213 1 20 . 1 1 90 90 THR N N 90 112.000 112.000 111.587 0.413 25135 17214 1 20 . 1 1 90 90 THR HA H 90 3.980 3.980 4.346 -0.366 25135 17215 1 20 . 1 1 90 90 THR C C 90 174.900 174.900 176.518 -1.618 25135 17216 1 20 . 1 1 90 90 THR CA C 90 65.200 65.200 64.727 0.473 25135 17217 1 20 . 1 1 90 90 THR CB C 90 69.300 69.300 69.428 -0.128 25135 17218 1 20 . 1 1 90 90 THR H H 90 7.690 7.690 7.540 0.150 25135 17219 1 20 . 1 1 91 91 ALA N N 91 122.400 122.400 122.347 0.053 25135 17220 1 20 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.414 -0.144 25135 17221 1 20 . 1 1 91 91 ALA C C 91 177.500 177.500 177.200 0.300 25135 17222 1 20 . 1 1 91 91 ALA CA C 91 53.000 53.000 52.354 0.646 25135 17223 1 20 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.334 0.666 25135 17224 1 20 . 1 1 91 91 ALA H H 91 7.220 7.220 8.078 -0.858 25135 17225 1 20 . 1 1 92 92 SER N N 92 112.900 112.900 112.566 0.334 25135 17226 1 20 . 1 1 92 92 SER HA H 92 4.130 4.130 4.355 -0.225 25135 17227 1 20 . 1 1 92 92 SER CA C 92 57.600 57.600 58.515 -0.915 25135 17228 1 20 . 1 1 92 92 SER CB C 92 64.000 64.000 62.099 1.901 25135 17229 1 20 . 1 1 92 92 SER H H 92 7.510 7.510 7.868 -0.358 25135 17230 1 20 . 1 1 93 93 GLN N N 93 125.700 125.700 121.756 3.944 25135 17231 1 20 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.184 0.016 25135 17232 1 20 . 1 1 93 93 GLN C C 93 176.700 176.700 176.577 0.123 25135 17233 1 20 . 1 1 93 93 GLN CA C 93 57.700 57.700 58.685 -0.986 25135 17234 1 20 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.483 -0.483 25135 17235 1 20 . 1 1 93 93 GLN H H 93 8.710 8.710 8.337 0.373 25135 17236 1 20 . 1 1 94 94 ASP N N 94 116.400 116.400 114.955 1.445 25135 17237 1 20 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.768 -0.208 25135 17238 1 20 . 1 1 94 94 ASP CA C 94 54.000 54.000 54.102 -0.102 25135 17239 1 20 . 1 1 94 94 ASP CB C 94 41.700 41.700 42.035 -0.335 25135 17240 1 20 . 1 1 94 94 ASP H H 94 7.800 7.800 8.562 -0.762 25135 17241 1 20 . 1 1 95 95 LYS N N 95 114.300 114.300 117.436 -3.136 25135 17242 1 20 . 1 1 95 95 LYS H H 95 8.290 8.290 8.676 -0.386 25135 17243 1 20 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.460 -0.140 25135 17244 1 20 . 1 1 96 96 ILE C C 96 177.000 177.000 176.470 0.530 25135 17245 1 20 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.983 0.817 25135 17246 1 20 . 1 1 96 96 ILE CB C 96 38.100 38.100 41.493 -3.393 25135 17247 1 20 . 1 1 97 97 LEU N N 97 131.100 131.100 127.355 3.745 25135 17248 1 20 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.076 0.044 25135 17249 1 20 . 1 1 97 97 LEU C C 97 177.200 177.200 176.313 0.887 25135 17250 1 20 . 1 1 97 97 LEU CA C 97 58.000 58.000 57.698 0.302 25135 17251 1 20 . 1 1 97 97 LEU CB C 97 42.900 42.900 42.017 0.883 25135 17252 1 20 . 1 1 97 97 LEU H H 97 8.620 8.620 8.934 -0.314 25135 17253 1 20 . 1 1 98 98 PHE N N 98 113.600 113.600 109.929 3.671 25135 17254 1 20 . 1 1 98 98 PHE HA H 98 5.100 5.100 5.201 -0.101 25135 17255 1 20 . 1 1 98 98 PHE C C 98 175.400 175.400 175.011 0.389 25135 17256 1 20 . 1 1 98 98 PHE CA C 98 55.700 55.700 54.177 1.523 25135 17257 1 20 . 1 1 98 98 PHE CB C 98 37.600 37.600 37.962 -0.361 25135 17258 1 20 . 1 1 98 98 PHE H H 98 8.450 8.450 7.745 0.705 25135 17259 1 20 . 1 1 99 99 LYS N N 99 119.500 119.500 124.162 -4.662 25135 17260 1 20 . 1 1 99 99 LYS HA H 99 3.880 3.880 4.049 -0.169 25135 17261 1 20 . 1 1 99 99 LYS C C 99 178.900 178.900 177.896 1.004 25135 17262 1 20 . 1 1 99 99 LYS CA C 99 61.100 61.100 60.215 0.885 25135 17263 1 20 . 1 1 99 99 LYS CB C 99 33.500 33.500 32.403 1.097 25135 17264 1 20 . 1 1 99 99 LYS H H 99 6.790 6.790 7.327 -0.537 25135 17265 1 20 . 1 1 100 100 ASP N N 100 117.800 117.800 118.586 -0.786 25135 17266 1 20 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.401 0.209 25135 17267 1 20 . 1 1 100 100 ASP C C 100 179.000 179.000 178.554 0.446 25135 17268 1 20 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.630 0.170 25135 17269 1 20 . 1 1 100 100 ASP CB C 100 40.400 40.400 40.044 0.356 25135 17270 1 20 . 1 1 100 100 ASP H H 100 8.520 8.520 8.729 -0.209 25135 17271 1 20 . 1 1 101 101 VAL N N 101 122.600 122.600 118.777 3.823 25135 17272 1 20 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.919 -0.059 25135 17273 1 20 . 1 1 101 101 VAL C C 101 177.100 177.100 177.795 -0.695 25135 17274 1 20 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.186 -0.486 25135 17275 1 20 . 1 1 101 101 VAL CB C 101 32.300 32.300 32.125 0.175 25135 17276 1 20 . 1 1 101 101 VAL H H 101 8.210 8.210 7.741 0.469 25135 17277 1 20 . 1 1 102 102 ASN N N 102 121.000 121.000 118.288 2.712 25135 17278 1 20 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.904 -0.344 25135 17279 1 20 . 1 1 102 102 ASN C C 102 178.500 178.500 177.974 0.526 25135 17280 1 20 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.410 -0.210 25135 17281 1 20 . 1 1 102 102 ASN CB C 102 37.900 37.900 37.928 -0.028 25135 17282 1 20 . 1 1 102 102 ASN H H 102 9.060 9.060 8.835 0.225 25135 17283 1 20 . 1 1 103 103 ARG N N 103 120.700 120.700 119.074 1.626 25135 17284 1 20 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.247 -0.087 25135 17285 1 20 . 1 1 103 103 ARG C C 103 177.900 177.900 177.806 0.094 25135 17286 1 20 . 1 1 103 103 ARG CA C 103 59.100 59.100 58.981 0.119 25135 17287 1 20 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.561 -0.661 25135 17288 1 20 . 1 1 103 103 ARG H H 103 7.640 7.640 8.481 -0.841 25135 17289 1 20 . 1 1 104 104 LYS N N 104 119.700 119.700 120.779 -1.079 25135 17290 1 20 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.300 -0.110 25135 17291 1 20 . 1 1 104 104 LYS C C 104 179.300 179.300 178.806 0.494 25135 17292 1 20 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.202 0.898 25135 17293 1 20 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.743 -0.243 25135 17294 1 20 . 1 1 104 104 LYS H H 104 7.960 7.960 7.586 0.374 25135 17295 1 20 . 1 1 105 105 LEU N N 105 118.200 118.200 121.434 -3.234 25135 17296 1 20 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.213 -0.173 25135 17297 1 20 . 1 1 105 105 LEU C C 105 178.400 178.400 178.673 -0.273 25135 17298 1 20 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.208 0.292 25135 17299 1 20 . 1 1 105 105 LEU CB C 105 42.500 42.500 42.072 0.428 25135 17300 1 20 . 1 1 105 105 LEU H H 105 8.990 8.990 9.054 -0.064 25135 17301 1 20 . 1 1 106 106 SER N N 106 111.700 111.700 114.631 -2.931 25135 17302 1 20 . 1 1 106 106 SER HA H 106 3.870 3.870 4.424 -0.554 25135 17303 1 20 . 1 1 106 106 SER C C 106 177.500 177.500 176.825 0.675 25135 17304 1 20 . 1 1 106 106 SER CA C 106 61.400 61.400 62.662 -1.262 25135 17305 1 20 . 1 1 106 106 SER CB C 106 62.600 62.600 62.773 -0.173 25135 17306 1 20 . 1 1 106 106 SER H H 106 7.980 7.980 7.845 0.135 25135 17307 1 20 . 1 1 107 107 ASP N N 107 122.000 122.000 122.359 -0.359 25135 17308 1 20 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.389 0.051 25135 17309 1 20 . 1 1 107 107 ASP C C 107 179.700 179.700 178.739 0.961 25135 17310 1 20 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.706 0.194 25135 17311 1 20 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.660 -0.060 25135 17312 1 20 . 1 1 107 107 ASP H H 107 8.500 8.500 7.694 0.806 25135 17313 1 20 . 1 1 108 108 VAL N N 108 119.200 119.200 119.350 -0.150 25135 17314 1 20 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.691 0.319 25135 17315 1 20 . 1 1 108 108 VAL C C 108 178.400 178.400 177.432 0.968 25135 17316 1 20 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.249 -0.649 25135 17317 1 20 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.495 0.005 25135 17318 1 20 . 1 1 108 108 VAL H H 108 8.830 8.830 7.715 1.115 25135 17319 1 20 . 1 1 109 109 TRP N N 109 121.900 121.900 121.171 0.729 25135 17320 1 20 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.982 0.288 25135 17321 1 20 . 1 1 109 109 TRP C C 109 178.000 178.000 177.933 0.067 25135 17322 1 20 . 1 1 109 109 TRP CA C 109 60.100 60.100 59.638 0.462 25135 17323 1 20 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.653 0.047 25135 17324 1 20 . 1 1 109 109 TRP H H 109 8.710 8.710 7.769 0.941 25135 17325 1 20 . 1 1 110 110 LYS N N 110 119.500 119.500 118.174 1.326 25135 17326 1 20 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.805 -0.175 25135 17327 1 20 . 1 1 110 110 LYS C C 110 178.000 178.000 179.305 -1.305 25135 17328 1 20 . 1 1 110 110 LYS CA C 110 60.500 60.500 58.751 1.749 25135 17329 1 20 . 1 1 110 110 LYS CB C 110 32.200 32.200 31.447 0.753 25135 17330 1 20 . 1 1 110 110 LYS H H 110 8.010 8.010 7.708 0.302 25135 17331 1 20 . 1 1 111 111 GLU N N 111 116.700 116.700 118.025 -1.325 25135 17332 1 20 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.145 -0.135 25135 17333 1 20 . 1 1 111 111 GLU C C 111 178.400 178.400 178.692 -0.292 25135 17334 1 20 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.135 0.665 25135 17335 1 20 . 1 1 111 111 GLU CB C 111 30.400 30.400 30.036 0.364 25135 17336 1 20 . 1 1 111 111 GLU H H 111 7.000 7.000 7.677 -0.677 25135 17337 1 20 . 1 1 112 112 LEU N N 112 119.000 119.000 121.345 -2.345 25135 17338 1 20 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.177 -0.437 25135 17339 1 20 . 1 1 112 112 LEU C C 112 177.600 177.600 177.734 -0.134 25135 17340 1 20 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.128 0.672 25135 17341 1 20 . 1 1 112 112 LEU CB C 112 42.200 42.200 41.998 0.202 25135 17342 1 20 . 1 1 112 112 LEU H H 112 8.380 8.380 8.223 0.157 25135 17343 1 20 . 1 1 113 113 SER N N 113 113.100 113.100 114.945 -1.845 25135 17344 1 20 . 1 1 113 113 SER HA H 113 3.190 3.190 3.536 -0.346 25135 17345 1 20 . 1 1 113 113 SER C C 113 176.300 176.300 175.998 0.302 25135 17346 1 20 . 1 1 113 113 SER CA C 113 61.600 61.600 61.201 0.399 25135 17347 1 20 . 1 1 113 113 SER CB C 113 61.800 61.800 62.034 -0.234 25135 17348 1 20 . 1 1 113 113 SER H H 113 8.490 8.490 8.019 0.471 25135 17349 1 20 . 1 1 114 114 LEU N N 114 121.500 121.500 121.253 0.247 25135 17350 1 20 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.051 -0.031 25135 17351 1 20 . 1 1 114 114 LEU C C 114 179.100 179.100 177.408 1.692 25135 17352 1 20 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.170 0.830 25135 17353 1 20 . 1 1 114 114 LEU CB C 114 41.800 41.800 40.665 1.135 25135 17354 1 20 . 1 1 114 114 LEU H H 114 6.810 6.810 7.107 -0.297 25135 17355 1 20 . 1 1 115 115 LEU N N 115 118.200 118.200 118.441 -0.241 25135 17356 1 20 . 1 1 115 115 LEU HA H 115 4.060 4.060 3.988 0.072 25135 17357 1 20 . 1 1 115 115 LEU C C 115 179.600 179.600 179.074 0.526 25135 17358 1 20 . 1 1 115 115 LEU CA C 115 57.700 57.700 56.929 0.771 25135 17359 1 20 . 1 1 115 115 LEU CB C 115 43.100 43.100 41.883 1.217 25135 17360 1 20 . 1 1 115 115 LEU H H 115 7.270 7.270 7.162 0.108 25135 17361 1 20 . 1 1 116 116 LEU N N 116 118.700 118.700 120.519 -1.819 25135 17362 1 20 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.823 0.027 25135 17363 1 20 . 1 1 116 116 LEU C C 116 179.300 179.300 179.388 -0.088 25135 17364 1 20 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.172 -0.573 25135 17365 1 20 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.650 -0.250 25135 17366 1 20 . 1 1 116 116 LEU H H 116 8.440 8.440 8.029 0.411 25135 17367 1 20 . 1 1 117 117 GLN N N 117 119.500 119.500 117.209 2.291 25135 17368 1 20 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.216 0.124 25135 17369 1 20 . 1 1 117 117 GLN C C 117 178.200 178.200 178.553 -0.353 25135 17370 1 20 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.921 -0.121 25135 17371 1 20 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.681 0.119 25135 17372 1 20 . 1 1 117 117 GLN H H 117 8.030 8.030 8.083 -0.053 25135 17373 1 20 . 1 1 118 118 VAL N N 118 117.600 117.600 118.909 -1.309 25135 17374 1 20 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.749 0.091 25135 17375 1 20 . 1 1 118 118 VAL C C 118 177.900 177.900 176.947 0.953 25135 17376 1 20 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.123 0.277 25135 17377 1 20 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.858 1.042 25135 17378 1 20 . 1 1 118 118 VAL H H 118 8.110 8.110 7.589 0.521 25135 17379 1 20 . 1 1 119 119 GLU N N 119 116.900 116.900 116.138 0.762 25135 17380 1 20 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.098 0.212 25135 17381 1 20 . 1 1 119 119 GLU C C 119 177.700 177.700 178.645 -0.945 25135 17382 1 20 . 1 1 119 119 GLU CA C 119 58.400 58.400 58.426 -0.026 25135 17383 1 20 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.939 0.761 25135 17384 1 20 . 1 1 119 119 GLU H H 119 8.620 8.620 8.131 0.489 25135 17385 1 20 . 1 1 120 120 GLN N N 120 113.300 113.300 116.856 -3.556 25135 17386 1 20 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.387 0.063 25135 17387 1 20 . 1 1 120 120 GLN C C 120 174.700 174.700 176.731 -2.031 25135 17388 1 20 . 1 1 120 120 GLN CA C 120 54.500 54.500 55.792 -1.292 25135 17389 1 20 . 1 1 120 120 GLN CB C 120 28.600 28.600 29.965 -1.365 25135 17390 1 20 . 1 1 120 120 GLN H H 120 7.350 7.350 8.065 -0.715 25135 17391 1 20 . 1 1 121 121 ARG N N 121 114.800 114.800 115.062 -0.262 25135 17392 1 20 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.120 0.000 25135 17393 1 20 . 1 1 121 121 ARG C C 121 175.600 175.600 175.494 0.106 25135 17394 1 20 . 1 1 121 121 ARG CA C 121 56.600 56.600 57.026 -0.426 25135 17395 1 20 . 1 1 121 121 ARG CB C 121 27.700 27.700 28.117 -0.417 25135 17396 1 20 . 1 1 121 121 ARG H H 121 7.410 7.410 8.001 -0.591 25135 17397 1 20 . 1 1 122 122 MET N N 122 120.300 120.300 117.671 2.629 25135 17398 1 20 . 1 1 122 122 MET HA H 122 4.600 4.600 4.853 -0.253 25135 17399 1 20 . 1 1 122 122 MET CA C 122 53.700 53.700 53.560 0.140 25135 17400 1 20 . 1 1 122 122 MET CB C 122 34.700 34.700 32.829 1.871 25135 17401 1 20 . 1 1 122 122 MET H H 122 7.760 7.760 7.547 0.213 25135 17402 1 20 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.513 -0.033 25135 17403 1 20 . 1 1 123 123 PRO C C 123 176.300 176.300 175.995 0.305 25135 17404 1 20 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.177 -0.377 25135 17405 1 20 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.596 -0.296 25135 17406 1 20 . 1 1 124 124 VAL N N 124 120.000 120.000 122.771 -2.771 25135 17407 1 20 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.328 -0.248 25135 17408 1 20 . 1 1 124 124 VAL C C 124 175.800 175.800 175.194 0.606 25135 17409 1 20 . 1 1 124 124 VAL CA C 124 61.700 61.700 60.936 0.764 25135 17410 1 20 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.154 -1.054 25135 17411 1 20 . 1 1 124 124 VAL H H 124 8.080 8.080 8.136 -0.056 25135 17412 1 20 . 1 1 125 125 SER N N 125 121.200 121.200 119.064 2.136 25135 17413 1 20 . 1 1 125 125 SER HA H 125 4.800 4.800 4.915 -0.115 25135 17414 1 20 . 1 1 125 125 SER CA C 125 56.200 56.200 55.836 0.364 25135 17415 1 20 . 1 1 125 125 SER CB C 125 63.700 63.700 63.108 0.593 25135 17416 1 20 . 1 1 125 125 SER H H 125 8.380 8.380 8.519 -0.139 25135 17417 1 20 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.357 0.123 25135 17418 1 20 . 1 1 126 126 PRO C C 126 177.100 177.100 176.790 0.310 25135 17419 1 20 . 1 1 126 126 PRO CA C 126 63.400 63.400 63.847 -0.447 25135 17420 1 20 . 1 1 126 126 PRO CB C 126 31.900 31.900 29.990 1.910 25135 17421 1 20 . 1 1 127 127 ILE N N 127 119.900 119.900 120.045 -0.145 25135 17422 1 20 . 1 1 127 127 ILE HA H 127 4.140 4.140 3.972 0.168 25135 17423 1 20 . 1 1 127 127 ILE C C 127 176.300 176.300 176.396 -0.096 25135 17424 1 20 . 1 1 127 127 ILE CA C 127 61.300 61.300 64.437 -3.137 25135 17425 1 20 . 1 1 127 127 ILE CB C 127 38.800 38.800 37.078 1.722 25135 17426 1 20 . 1 1 127 127 ILE H H 127 8.050 8.050 9.004 -0.954 25135 17427 1 20 . 1 1 128 128 SER N N 128 119.000 119.000 113.191 5.809 25135 17428 1 20 . 1 1 128 128 SER HA H 128 4.400 4.400 4.178 0.222 25135 17429 1 20 . 1 1 128 128 SER C C 128 174.600 174.600 173.612 0.988 25135 17430 1 20 . 1 1 128 128 SER CA C 128 58.300 58.300 59.305 -1.005 25135 17431 1 20 . 1 1 128 128 SER CB C 128 63.600 63.600 62.053 1.547 25135 17432 1 20 . 1 1 128 128 SER H H 128 8.230 8.230 8.670 -0.440 25135 17433 1 20 . 1 1 129 129 GLN N N 129 122.600 122.600 115.631 6.969 25135 17434 1 20 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.581 -0.351 25135 17435 1 20 . 1 1 129 129 GLN C C 129 176.200 176.200 176.095 0.105 25135 17436 1 20 . 1 1 129 129 GLN CA C 129 56.300 56.300 55.241 1.059 25135 17437 1 20 . 1 1 129 129 GLN CB C 129 29.100 29.100 29.889 -0.788 25135 17438 1 20 . 1 1 129 129 GLN H H 129 8.340 8.340 8.233 0.107 25135 17439 1 20 . 1 1 130 130 GLY N N 130 109.200 109.200 108.475 0.725 25135 17440 1 20 . 1 1 130 130 GLY C C 130 175.100 175.100 174.556 0.544 25135 17441 1 20 . 1 1 130 130 GLY CA C 130 45.200 45.200 45.497 -0.297 25135 17442 1 20 . 1 1 130 130 GLY H H 130 8.150 8.150 8.415 -0.265 25135 17443 1 20 . 1 1 131 131 ALA N N 131 124.700 124.700 124.331 0.369 25135 17444 1 20 . 1 1 131 131 ALA HA H 131 4.230 4.230 3.006 1.224 25135 17445 1 20 . 1 1 131 131 ALA C C 131 178.700 178.700 177.358 1.342 25135 17446 1 20 . 1 1 131 131 ALA CA C 131 53.800 53.800 51.714 2.086 25135 17447 1 20 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.254 0.646 25135 17448 1 20 . 1 1 131 131 ALA H H 131 8.070 8.070 8.390 -0.320 25135 17449 1 20 . 1 1 132 132 SER N N 132 113.200 113.200 114.768 -1.568 25135 17450 1 20 . 1 1 132 132 SER HA H 132 4.580 4.580 4.381 0.199 25135 17451 1 20 . 1 1 132 132 SER C C 132 175.700 175.700 174.962 0.738 25135 17452 1 20 . 1 1 132 132 SER CA C 132 58.500 58.500 58.869 -0.369 25135 17453 1 20 . 1 1 132 132 SER CB C 132 63.800 63.800 62.180 1.620 25135 17454 1 20 . 1 1 132 132 SER H H 132 8.340 8.340 8.192 0.148 25135 17455 1 20 . 1 1 133 133 TRP N N 133 122.800 122.800 122.417 0.383 25135 17456 1 20 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.346 0.184 25135 17457 1 20 . 1 1 133 133 TRP C C 133 178.200 178.200 178.065 0.135 25135 17458 1 20 . 1 1 133 133 TRP CA C 133 58.900 58.900 59.233 -0.333 25135 17459 1 20 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.094 2.106 25135 17460 1 20 . 1 1 133 133 TRP H H 133 8.380 8.380 7.247 1.133 25135 17461 1 20 . 1 1 134 134 ALA N N 134 120.600 120.600 120.524 0.076 25135 17462 1 20 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.868 0.382 25135 17463 1 20 . 1 1 134 134 ALA C C 134 180.700 180.700 179.223 1.477 25135 17464 1 20 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.356 0.344 25135 17465 1 20 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.743 0.257 25135 17466 1 20 . 1 1 134 134 ALA H H 134 8.420 8.420 8.255 0.165 25135 17467 1 20 . 1 1 135 135 GLN N N 135 118.900 118.900 118.622 0.278 25135 17468 1 20 . 1 1 135 135 GLN HA H 135 4.100 4.100 3.974 0.126 25135 17469 1 20 . 1 1 135 135 GLN C C 135 179.200 179.200 178.434 0.766 25135 17470 1 20 . 1 1 135 135 GLN CA C 135 59.000 59.000 58.934 0.066 25135 17471 1 20 . 1 1 135 135 GLN CB C 135 28.500 28.500 27.962 0.537 25135 17472 1 20 . 1 1 135 135 GLN H H 135 7.860 7.860 8.408 -0.548 25135 17473 1 20 . 1 1 136 136 GLU N N 136 120.900 120.900 118.898 2.002 25135 17474 1 20 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.188 -0.368 25135 17475 1 20 . 1 1 136 136 GLU C C 136 177.800 177.800 178.940 -1.140 25135 17476 1 20 . 1 1 136 136 GLU CA C 136 59.000 59.000 58.940 0.060 25135 17477 1 20 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.448 0.552 25135 17478 1 20 . 1 1 136 136 GLU H H 136 7.720 7.720 8.465 -0.745 25135 17479 1 20 . 1 1 137 137 ASP N N 137 118.200 118.200 121.235 -3.035 25135 17480 1 20 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.365 0.095 25135 17481 1 20 . 1 1 137 137 ASP C C 137 178.100 178.100 178.403 -0.303 25135 17482 1 20 . 1 1 137 137 ASP CA C 137 57.200 57.200 58.067 -0.867 25135 17483 1 20 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.492 -0.392 25135 17484 1 20 . 1 1 137 137 ASP H H 137 8.800 8.800 8.517 0.283 25135 17485 1 20 . 1 1 138 138 GLN N N 138 116.900 116.900 118.905 -2.005 25135 17486 1 20 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.062 -0.182 25135 17487 1 20 . 1 1 138 138 GLN C C 138 178.400 178.400 178.276 0.124 25135 17488 1 20 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.601 0.299 25135 17489 1 20 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.153 0.547 25135 17490 1 20 . 1 1 138 138 GLN H H 138 7.510 7.510 8.442 -0.932 25135 17491 1 20 . 1 1 139 139 GLN N N 139 119.500 119.500 119.435 0.065 25135 17492 1 20 . 1 1 139 139 GLN HA H 139 4.110 4.110 4.052 0.058 25135 17493 1 20 . 1 1 139 139 GLN C C 139 178.900 178.900 178.700 0.200 25135 17494 1 20 . 1 1 139 139 GLN CA C 139 58.900 58.900 59.186 -0.286 25135 17495 1 20 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.523 0.077 25135 17496 1 20 . 1 1 139 139 GLN H H 139 7.520 7.520 7.607 -0.087 25135 17497 1 20 . 1 1 140 140 ASP N N 140 121.700 121.700 119.147 2.553 25135 17498 1 20 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.595 -0.575 25135 17499 1 20 . 1 1 140 140 ASP C C 140 177.700 177.700 178.038 -0.338 25135 17500 1 20 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.672 0.628 25135 17501 1 20 . 1 1 140 140 ASP CB C 140 40.700 40.700 41.117 -0.417 25135 17502 1 20 . 1 1 140 140 ASP H H 140 9.130 9.130 8.227 0.903 25135 17503 1 20 . 1 1 141 141 ALA N N 141 121.000 121.000 124.362 -3.362 25135 17504 1 20 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.167 0.083 25135 17505 1 20 . 1 1 141 141 ALA C C 141 180.800 180.800 178.880 1.920 25135 17506 1 20 . 1 1 141 141 ALA CA C 141 55.400 55.400 55.340 0.061 25135 17507 1 20 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.528 0.972 25135 17508 1 20 . 1 1 141 141 ALA H H 141 8.720 8.720 8.095 0.625 25135 17509 1 20 . 1 1 142 142 ASP N N 142 119.100 119.100 118.237 0.863 25135 17510 1 20 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.329 0.101 25135 17511 1 20 . 1 1 142 142 ASP C C 142 178.600 178.600 178.531 0.069 25135 17512 1 20 . 1 1 142 142 ASP CA C 142 57.600 57.600 57.310 0.290 25135 17513 1 20 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.520 0.780 25135 17514 1 20 . 1 1 142 142 ASP H H 142 7.850 7.850 8.592 -0.742 25135 17515 1 20 . 1 1 143 143 GLU N N 143 119.500 119.500 118.203 1.297 25135 17516 1 20 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.169 -0.139 25135 17517 1 20 . 1 1 143 143 GLU C C 143 180.100 180.100 178.692 1.408 25135 17518 1 20 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.877 0.823 25135 17519 1 20 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.859 -0.259 25135 17520 1 20 . 1 1 143 143 GLU H H 143 7.860 7.860 7.695 0.165 25135 17521 1 20 . 1 1 144 144 ASP N N 144 121.000 121.000 120.611 0.389 25135 17522 1 20 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.373 0.277 25135 17523 1 20 . 1 1 144 144 ASP C C 144 179.500 179.500 178.506 0.994 25135 17524 1 20 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.533 -0.033 25135 17525 1 20 . 1 1 144 144 ASP CB C 144 41.100 41.100 40.813 0.286 25135 17526 1 20 . 1 1 144 144 ASP H H 144 8.840 8.840 8.303 0.537 25135 17527 1 20 . 1 1 145 145 ARG N N 145 121.400 121.400 118.114 3.286 25135 17528 1 20 . 1 1 145 145 ARG HA H 145 4.130 4.130 4.395 -0.265 25135 17529 1 20 . 1 1 145 145 ARG C C 145 178.700 178.700 178.899 -0.199 25135 17530 1 20 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.345 0.155 25135 17531 1 20 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.912 -0.312 25135 17532 1 20 . 1 1 145 145 ARG H H 145 8.510 8.510 8.255 0.255 25135 17533 1 20 . 1 1 146 146 ARG N N 146 119.400 119.400 119.169 0.231 25135 17534 1 20 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.139 -0.029 25135 17535 1 20 . 1 1 146 146 ARG C C 146 178.400 178.400 178.414 -0.014 25135 17536 1 20 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.660 0.740 25135 17537 1 20 . 1 1 146 146 ARG CB C 146 30.200 30.200 29.751 0.449 25135 17538 1 20 . 1 1 146 146 ARG H H 146 7.680 7.680 7.956 -0.276 25135 17539 1 20 . 1 1 147 147 ALA N N 147 120.300 120.300 122.933 -2.633 25135 17540 1 20 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.167 0.143 25135 17541 1 20 . 1 1 147 147 ALA C C 147 179.500 179.500 178.357 1.143 25135 17542 1 20 . 1 1 147 147 ALA CA C 147 54.100 54.100 55.055 -0.955 25135 17543 1 20 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.765 0.335 25135 17544 1 20 . 1 1 147 147 ALA H H 147 7.840 7.840 8.057 -0.217 25135 17545 1 20 . 1 1 148 148 PHE N N 148 119.900 119.900 115.263 4.637 25135 17546 1 20 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.550 -0.160 25135 17547 1 20 . 1 1 148 148 PHE C C 148 176.900 176.900 176.696 0.204 25135 17548 1 20 . 1 1 148 148 PHE CA C 148 60.500 60.500 57.998 2.502 25135 17549 1 20 . 1 1 148 148 PHE CB C 148 39.700 39.700 38.645 1.055 25135 17550 1 20 . 1 1 148 148 PHE H H 148 8.210 8.210 7.827 0.383 25135 17551 1 20 . 1 1 149 149 GLN N N 149 118.500 118.500 118.554 -0.054 25135 17552 1 20 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.445 0.685 25135 17553 1 20 . 1 1 149 149 GLN C C 149 176.400 176.400 176.779 -0.379 25135 17554 1 20 . 1 1 149 149 GLN CA C 149 56.900 56.900 58.244 -1.344 25135 17555 1 20 . 1 1 149 149 GLN CB C 149 28.900 28.900 29.348 -0.448 25135 17556 1 20 . 1 1 149 149 GLN H H 149 7.960 7.960 7.806 0.154 25135 17557 1 20 . 1 1 150 150 MET N N 150 118.000 118.000 110.069 7.931 25135 17558 1 20 . 1 1 150 150 MET HA H 150 4.360 4.360 4.656 -0.296 25135 17559 1 20 . 1 1 150 150 MET C C 150 176.300 176.300 175.569 0.731 25135 17560 1 20 . 1 1 150 150 MET CA C 150 56.000 56.000 55.030 0.970 25135 17561 1 20 . 1 1 150 150 MET CB C 150 32.800 32.800 34.378 -1.578 25135 17562 1 20 . 1 1 150 150 MET H H 150 7.760 7.760 7.389 0.371 25135 17563 1 20 . 1 1 151 151 LEU N N 151 121.200 121.200 124.122 -2.922 25135 17564 1 20 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.579 -0.309 25135 17565 1 20 . 1 1 151 151 LEU C C 151 177.100 177.100 175.659 1.441 25135 17566 1 20 . 1 1 151 151 LEU CA C 151 55.400 55.400 54.081 1.319 25135 17567 1 20 . 1 1 151 151 LEU CB C 151 42.300 42.300 41.649 0.651 25135 17568 1 20 . 1 1 151 151 LEU H H 151 7.690 7.690 7.519 0.171 25135 17569 1 20 . 1 1 152 152 ARG N N 152 121.800 121.800 122.003 -0.203 25135 17570 1 20 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.345 -0.105 25135 17571 1 20 . 1 1 152 152 ARG C C 152 176.000 176.000 176.062 -0.062 25135 17572 1 20 . 1 1 152 152 ARG CA C 152 56.200 56.200 56.656 -0.456 25135 17573 1 20 . 1 1 152 152 ARG CB C 152 30.900 30.900 28.755 2.145 25135 17574 1 20 . 1 1 152 152 ARG H H 152 8.120 8.120 8.523 -0.403 25135 17575 1 20 . 1 1 153 153 ARG N N 153 123.100 123.100 121.730 1.370 25135 17576 1 20 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.498 -0.138 25135 17577 1 20 . 1 1 153 153 ARG C C 153 174.900 174.900 176.595 -1.695 25135 17578 1 20 . 1 1 153 153 ARG CA C 153 56.000 56.000 55.990 0.010 25135 17579 1 20 . 1 1 153 153 ARG CB C 153 31.000 31.000 31.174 -0.174 25135 17580 1 20 . 1 1 153 153 ARG H H 153 8.380 8.380 8.175 0.205 25135 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 147 1.935 -0.112 1.939 25135 2 1 1 "Average Difference" HA 157 0.247 0.012 0.248 25135 3 1 1 "Average Difference" C 144 0.878 -0.159 0.866 25135 4 1 1 "Average Difference" CA 151 0.934 -0.203 0.915 25135 5 1 1 "Average Difference" CB 145 0.946 -0.269 0.910 25135 6 1 1 "Average Difference" HN 147 0.512 -0.036 0.512 25135 7 1 2 "Average Difference" N 147 2.062 -0.153 2.063 25135 8 1 2 "Average Difference" HA 157 0.259 0.011 0.260 25135 9 1 2 "Average Difference" C 144 0.874 -0.166 0.861 25135 10 1 2 "Average Difference" CA 151 0.905 -0.209 0.884 25135 11 1 2 "Average Difference" CB 145 0.868 -0.240 0.837 25135 12 1 2 "Average Difference" HN 147 0.531 -0.051 0.530 25135 13 1 3 "Average Difference" N 147 2.091 -0.155 2.092 25135 14 1 3 "Average Difference" HA 157 0.239 0.011 0.239 25135 15 1 3 "Average Difference" C 144 0.856 -0.142 0.847 25135 16 1 3 "Average Difference" CA 151 0.931 -0.212 0.910 25135 17 1 3 "Average Difference" CB 145 0.857 -0.227 0.829 25135 18 1 3 "Average Difference" HN 147 0.555 -0.056 0.554 25135 19 1 4 "Average Difference" N 147 2.055 -0.082 2.060 25135 20 1 4 "Average Difference" HA 157 0.248 -0.006 0.249 25135 21 1 4 "Average Difference" C 144 0.898 -0.141 0.890 25135 22 1 4 "Average Difference" CA 151 0.929 -0.179 0.914 25135 23 1 4 "Average Difference" CB 145 0.943 -0.285 0.902 25135 24 1 4 "Average Difference" HN 147 0.546 -0.035 0.547 25135 25 1 5 "Average Difference" N 147 2.120 -0.062 2.126 25135 26 1 5 "Average Difference" HA 157 0.240 0.011 0.241 25135 27 1 5 "Average Difference" C 144 0.893 -0.220 0.868 25135 28 1 5 "Average Difference" CA 151 0.970 -0.185 0.955 25135 29 1 5 "Average Difference" CB 145 0.872 -0.204 0.851 25135 30 1 5 "Average Difference" HN 147 0.549 -0.043 0.549 25135 31 1 6 "Average Difference" N 147 2.027 -0.163 2.028 25135 32 1 6 "Average Difference" HA 157 0.253 0.008 0.254 25135 33 1 6 "Average Difference" C 144 0.943 -0.196 0.926 25135 34 1 6 "Average Difference" CA 151 0.926 -0.197 0.907 25135 35 1 6 "Average Difference" CB 145 0.980 -0.246 0.951 25135 36 1 6 "Average Difference" HN 147 0.511 -0.032 0.512 25135 37 1 7 "Average Difference" N 147 2.076 -0.212 2.073 25135 38 1 7 "Average Difference" HA 157 0.249 0.013 0.249 25135 39 1 7 "Average Difference" C 144 0.886 -0.171 0.872 25135 40 1 7 "Average Difference" CA 151 0.960 -0.165 0.949 25135 41 1 7 "Average Difference" CB 145 0.926 -0.246 0.895 25135 42 1 7 "Average Difference" HN 147 0.530 -0.035 0.531 25135 43 1 8 "Average Difference" N 147 2.108 -0.097 2.113 25135 44 1 8 "Average Difference" HA 157 0.251 0.003 0.252 25135 45 1 8 "Average Difference" C 144 0.849 -0.180 0.833 25135 46 1 8 "Average Difference" CA 151 0.965 -0.186 0.950 25135 47 1 8 "Average Difference" CB 145 0.867 -0.231 0.839 25135 48 1 8 "Average Difference" HN 147 0.509 -0.038 0.509 25135 49 1 9 "Average Difference" N 147 2.194 -0.267 2.185 25135 50 1 9 "Average Difference" HA 157 0.238 0.006 0.239 25135 51 1 9 "Average Difference" C 144 0.912 -0.190 0.895 25135 52 1 9 "Average Difference" CA 151 0.972 -0.198 0.955 25135 53 1 9 "Average Difference" CB 145 0.904 -0.213 0.881 25135 54 1 9 "Average Difference" HN 147 0.536 -0.042 0.536 25135 55 1 10 "Average Difference" N 147 1.941 -0.012 1.947 25135 56 1 10 "Average Difference" HA 157 0.250 0.007 0.251 25135 57 1 10 "Average Difference" C 144 0.842 -0.189 0.824 25135 58 1 10 "Average Difference" CA 151 0.903 -0.192 0.886 25135 59 1 10 "Average Difference" CB 145 0.904 -0.231 0.877 25135 60 1 10 "Average Difference" HN 147 0.524 -0.051 0.523 25135 61 1 11 "Average Difference" N 147 2.131 -0.113 2.135 25135 62 1 11 "Average Difference" HA 157 0.237 0.011 0.237 25135 63 1 11 "Average Difference" C 144 0.875 -0.199 0.855 25135 64 1 11 "Average Difference" CA 151 0.873 -0.174 0.858 25135 65 1 11 "Average Difference" CB 145 0.902 -0.242 0.872 25135 66 1 11 "Average Difference" HN 147 0.544 -0.030 0.545 25135 67 1 12 "Average Difference" N 147 2.092 -0.014 2.099 25135 68 1 12 "Average Difference" HA 157 0.251 0.008 0.252 25135 69 1 12 "Average Difference" C 144 0.874 -0.181 0.858 25135 70 1 12 "Average Difference" CA 151 0.948 -0.215 0.927 25135 71 1 12 "Average Difference" CB 145 0.883 -0.247 0.850 25135 72 1 12 "Average Difference" HN 147 0.525 -0.027 0.526 25135 73 1 13 "Average Difference" N 147 2.008 -0.049 2.015 25135 74 1 13 "Average Difference" HA 157 0.233 0.012 0.234 25135 75 1 13 "Average Difference" C 144 0.874 -0.153 0.864 25135 76 1 13 "Average Difference" CA 151 0.931 -0.155 0.921 25135 77 1 13 "Average Difference" CB 145 0.884 -0.241 0.853 25135 78 1 13 "Average Difference" HN 147 0.522 -0.050 0.521 25135 79 1 14 "Average Difference" N 147 1.982 0.018 1.989 25135 80 1 14 "Average Difference" HA 157 0.260 0.007 0.261 25135 81 1 14 "Average Difference" C 144 0.892 -0.143 0.884 25135 82 1 14 "Average Difference" CA 151 1.011 -0.176 0.999 25135 83 1 14 "Average Difference" CB 145 0.925 -0.290 0.881 25135 84 1 14 "Average Difference" HN 147 0.527 -0.046 0.527 25135 85 1 15 "Average Difference" N 147 2.331 -0.244 2.326 25135 86 1 15 "Average Difference" HA 157 0.244 0.015 0.244 25135 87 1 15 "Average Difference" C 144 0.885 -0.201 0.865 25135 88 1 15 "Average Difference" CA 151 1.052 -0.230 1.030 25135 89 1 15 "Average Difference" CB 145 0.850 -0.197 0.830 25135 90 1 15 "Average Difference" HN 147 0.543 -0.040 0.543 25135 91 1 16 "Average Difference" N 147 2.092 -0.165 2.093 25135 92 1 16 "Average Difference" HA 157 0.241 0.020 0.241 25135 93 1 16 "Average Difference" C 144 0.902 -0.190 0.884 25135 94 1 16 "Average Difference" CA 151 0.947 -0.190 0.931 25135 95 1 16 "Average Difference" CB 145 0.903 -0.211 0.882 25135 96 1 16 "Average Difference" HN 147 0.536 -0.057 0.535 25135 97 1 17 "Average Difference" N 147 2.084 -0.125 2.087 25135 98 1 17 "Average Difference" HA 157 0.251 -0.004 0.252 25135 99 1 17 "Average Difference" C 144 0.888 -0.151 0.878 25135 100 1 17 "Average Difference" CA 151 0.939 -0.155 0.929 25135 101 1 17 "Average Difference" CB 145 0.896 -0.260 0.861 25135 102 1 17 "Average Difference" HN 147 0.530 -0.039 0.530 25135 103 1 18 "Average Difference" N 147 2.068 -0.092 2.073 25135 104 1 18 "Average Difference" HA 157 0.249 0.003 0.249 25135 105 1 18 "Average Difference" C 144 0.890 -0.177 0.875 25135 106 1 18 "Average Difference" CA 151 0.876 -0.164 0.863 25135 107 1 18 "Average Difference" CB 145 0.902 -0.226 0.877 25135 108 1 18 "Average Difference" HN 147 0.511 -0.041 0.511 25135 109 1 19 "Average Difference" N 147 2.176 -0.143 2.179 25135 110 1 19 "Average Difference" HA 157 0.239 0.012 0.240 25135 111 1 19 "Average Difference" C 144 0.845 -0.198 0.824 25135 112 1 19 "Average Difference" CA 151 0.976 -0.203 0.958 25135 113 1 19 "Average Difference" CB 145 0.833 -0.173 0.818 25135 114 1 19 "Average Difference" HN 147 0.538 -0.045 0.538 25135 115 1 20 "Average Difference" N 147 2.248 -0.215 2.245 25135 116 1 20 "Average Difference" HA 157 0.245 0.014 0.245 25135 117 1 20 "Average Difference" C 144 0.915 -0.192 0.898 25135 118 1 20 "Average Difference" CA 151 0.953 -0.208 0.933 25135 119 1 20 "Average Difference" CB 145 0.879 -0.194 0.860 25135 120 1 20 "Average Difference" HN 147 0.537 -0.033 0.537 25135 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 25135 _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 GLU N N 2 120.000 120.000 120.479 -0.479 25135 2 1 . 1 1 2 2 GLU HA H 2 3.980 3.980 4.079 -0.099 25135 3 1 . 1 1 2 2 GLU C C 2 178.400 178.400 177.735 0.665 25135 4 1 . 1 1 2 2 GLU CA C 2 59.400 59.400 59.246 0.154 25135 5 1 . 1 1 2 2 GLU CB C 2 29.200 29.200 29.323 -0.123 25135 6 1 . 1 1 2 2 GLU H H 2 8.140 8.140 8.859 -0.719 25135 7 1 . 1 1 3 3 ASN N N 3 117.300 117.300 115.471 1.829 25135 8 1 . 1 1 3 3 ASN HA H 3 4.640 4.640 4.683 -0.043 25135 9 1 . 1 1 3 3 ASN C C 3 177.900 177.900 176.689 1.211 25135 10 1 . 1 1 3 3 ASN CA C 3 55.800 55.800 54.742 1.058 25135 11 1 . 1 1 3 3 ASN CB C 3 39.000 39.000 38.147 0.853 25135 12 1 . 1 1 3 3 ASN H H 3 7.960 7.960 8.662 -0.702 25135 13 1 . 1 1 4 4 LEU N N 4 119.700 119.700 122.314 -2.614 25135 14 1 . 1 1 4 4 LEU HA H 4 4.030 4.030 3.996 0.035 25135 15 1 . 1 1 4 4 LEU C C 4 177.900 177.900 178.344 -0.444 25135 16 1 . 1 1 4 4 LEU CA C 4 58.400 58.400 58.692 -0.292 25135 17 1 . 1 1 4 4 LEU CB C 4 42.000 42.000 41.809 0.191 25135 18 1 . 1 1 4 4 LEU H H 4 8.450 8.450 8.132 0.318 25135 19 1 . 1 1 5 5 LYS N N 5 118.200 118.200 116.240 1.960 25135 20 1 . 1 1 5 5 LYS HA H 5 3.940 3.940 4.050 -0.110 25135 21 1 . 1 1 5 5 LYS C C 5 179.200 179.200 179.225 -0.025 25135 22 1 . 1 1 5 5 LYS CA C 5 60.000 60.000 58.650 1.350 25135 23 1 . 1 1 5 5 LYS CB C 5 31.900 31.900 31.659 0.240 25135 24 1 . 1 1 5 5 LYS H H 5 7.940 7.940 7.923 0.017 25135 25 1 . 1 1 6 6 HIS N N 6 118.400 118.400 119.636 -1.236 25135 26 1 . 1 1 6 6 HIS HA H 6 4.420 4.420 4.496 -0.076 25135 27 1 . 1 1 6 6 HIS C C 6 178.200 178.200 177.604 0.596 25135 28 1 . 1 1 6 6 HIS CA C 6 59.100 59.100 58.919 0.181 25135 29 1 . 1 1 6 6 HIS CB C 6 30.900 30.900 30.274 0.626 25135 30 1 . 1 1 6 6 HIS H H 6 7.710 7.710 7.765 -0.055 25135 31 1 . 1 1 7 7 ILE N N 7 120.300 120.300 121.377 -1.077 25135 32 1 . 1 1 7 7 ILE HA H 7 3.440 3.440 3.485 -0.045 25135 33 1 . 1 1 7 7 ILE C C 7 176.500 176.500 177.464 -0.964 25135 34 1 . 1 1 7 7 ILE CA C 7 66.000 66.000 65.624 0.376 25135 35 1 . 1 1 7 7 ILE CB C 7 38.700 38.700 37.989 0.711 25135 36 1 . 1 1 7 7 ILE H H 7 7.950 7.950 8.366 -0.416 25135 37 1 . 1 1 8 8 ILE N N 8 120.200 120.200 119.502 0.698 25135 38 1 . 1 1 8 8 ILE HA H 8 3.580 3.580 3.449 0.131 25135 39 1 . 1 1 8 8 ILE C C 8 178.000 178.000 177.891 0.109 25135 40 1 . 1 1 8 8 ILE CA C 8 65.800 65.800 65.959 -0.158 25135 41 1 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.552 1.048 25135 42 1 . 1 1 8 8 ILE H H 8 8.450 8.450 8.894 -0.445 25135 43 1 . 1 1 9 9 THR N N 9 115.400 115.400 114.539 0.861 25135 44 1 . 1 1 9 9 THR HA H 9 3.880 3.880 3.961 -0.081 25135 45 1 . 1 1 9 9 THR C C 9 176.300 176.300 176.501 -0.201 25135 46 1 . 1 1 9 9 THR CA C 9 66.900 66.900 66.207 0.693 25135 47 1 . 1 1 9 9 THR CB C 9 68.800 68.800 68.828 -0.028 25135 48 1 . 1 1 9 9 THR H H 9 8.120 8.120 7.476 0.644 25135 49 1 . 1 1 10 10 LEU N N 10 122.100 122.100 121.601 0.499 25135 50 1 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.099 -0.049 25135 51 1 . 1 1 10 10 LEU C C 10 178.800 178.800 178.291 0.509 25135 52 1 . 1 1 10 10 LEU CA C 10 57.900 57.900 56.803 1.097 25135 53 1 . 1 1 10 10 LEU CB C 10 42.300 42.300 41.199 1.101 25135 54 1 . 1 1 10 10 LEU H H 10 7.950 7.950 7.543 0.407 25135 55 1 . 1 1 11 11 GLY N N 11 105.800 105.800 105.317 0.483 25135 56 1 . 1 1 11 11 GLY C C 11 174.700 174.700 176.198 -1.498 25135 57 1 . 1 1 11 11 GLY CA C 11 47.500 47.500 47.100 0.400 25135 58 1 . 1 1 11 11 GLY H H 11 8.660 8.660 8.534 0.126 25135 59 1 . 1 1 12 12 GLN N N 12 119.600 119.600 119.768 -0.168 25135 60 1 . 1 1 12 12 GLN HA H 12 3.990 3.990 4.357 -0.367 25135 61 1 . 1 1 12 12 GLN C C 12 179.600 179.600 178.655 0.945 25135 62 1 . 1 1 12 12 GLN CA C 12 59.300 59.300 57.549 1.751 25135 63 1 . 1 1 12 12 GLN CB C 12 27.900 27.900 28.468 -0.568 25135 64 1 . 1 1 12 12 GLN H H 12 8.050 8.050 7.497 0.553 25135 65 1 . 1 1 13 13 VAL N N 13 122.600 122.600 122.018 0.582 25135 66 1 . 1 1 13 13 VAL HA H 13 3.670 3.670 3.632 0.038 25135 67 1 . 1 1 13 13 VAL C C 13 178.500 178.500 177.832 0.668 25135 68 1 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.616 0.084 25135 69 1 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.397 0.503 25135 70 1 . 1 1 13 13 VAL H H 13 8.300 8.300 7.871 0.429 25135 71 1 . 1 1 14 14 ILE N N 14 121.000 121.000 119.112 1.888 25135 72 1 . 1 1 14 14 ILE HA H 14 3.470 3.470 3.662 -0.192 25135 73 1 . 1 1 14 14 ILE C C 14 177.700 177.700 177.978 -0.278 25135 74 1 . 1 1 14 14 ILE CA C 14 65.800 65.800 65.224 0.576 25135 75 1 . 1 1 14 14 ILE CB C 14 38.400 38.400 37.738 0.662 25135 76 1 . 1 1 14 14 ILE H H 14 8.480 8.480 8.552 -0.072 25135 77 1 . 1 1 15 15 HIS N N 15 118.900 118.900 118.324 0.576 25135 78 1 . 1 1 15 15 HIS HA H 15 3.900 3.900 4.411 -0.511 25135 79 1 . 1 1 15 15 HIS C C 15 176.200 176.200 177.042 -0.842 25135 80 1 . 1 1 15 15 HIS CA C 15 61.300 61.300 59.076 2.224 25135 81 1 . 1 1 15 15 HIS CB C 15 30.000 30.000 30.204 -0.204 25135 82 1 . 1 1 15 15 HIS H H 15 8.250 8.250 7.586 0.664 25135 83 1 . 1 1 16 16 LYS N N 16 118.500 118.500 120.133 -1.633 25135 84 1 . 1 1 16 16 LYS HA H 16 3.670 3.670 3.700 -0.030 25135 85 1 . 1 1 16 16 LYS C C 16 179.200 179.200 178.863 0.337 25135 86 1 . 1 1 16 16 LYS CA C 16 59.500 59.500 59.054 0.446 25135 87 1 . 1 1 16 16 LYS CB C 16 32.500 32.500 32.163 0.337 25135 88 1 . 1 1 16 16 LYS H H 16 7.820 7.820 8.195 -0.375 25135 89 1 . 1 1 17 17 ARG N N 17 117.600 117.600 119.142 -1.542 25135 90 1 . 1 1 17 17 ARG HA H 17 3.960 3.960 4.086 -0.126 25135 91 1 . 1 1 17 17 ARG C C 17 180.600 180.600 178.097 2.503 25135 92 1 . 1 1 17 17 ARG CA C 17 59.200 59.200 59.236 -0.036 25135 93 1 . 1 1 17 17 ARG CB C 17 30.500 30.500 30.201 0.298 25135 94 1 . 1 1 17 17 ARG H H 17 8.330 8.330 8.797 -0.467 25135 95 1 . 1 1 18 18 CYS N N 18 118.100 118.100 115.238 2.862 25135 96 1 . 1 1 18 18 CYS HA H 18 3.890 3.890 4.232 -0.342 25135 97 1 . 1 1 18 18 CYS C C 18 177.300 177.300 177.051 0.249 25135 98 1 . 1 1 18 18 CYS CA C 18 65.900 65.900 60.806 5.094 25135 99 1 . 1 1 18 18 CYS CB C 18 27.600 27.600 27.695 -0.094 25135 100 1 . 1 1 18 18 CYS H H 18 8.550 8.550 7.577 0.973 25135 101 1 . 1 1 19 19 GLU N N 19 117.900 117.900 119.911 -2.011 25135 102 1 . 1 1 19 19 GLU HA H 19 3.810 3.810 4.045 -0.235 25135 103 1 . 1 1 19 19 GLU C C 19 177.100 177.100 177.631 -0.531 25135 104 1 . 1 1 19 19 GLU CA C 19 58.300 58.300 58.831 -0.531 25135 105 1 . 1 1 19 19 GLU CB C 19 30.000 30.000 29.532 0.468 25135 106 1 . 1 1 19 19 GLU H H 19 7.540 7.540 7.761 -0.221 25135 107 1 . 1 1 20 20 GLU N N 20 115.400 115.400 114.297 1.103 25135 108 1 . 1 1 20 20 GLU HA H 20 4.220 4.220 4.320 -0.100 25135 109 1 . 1 1 20 20 GLU C C 20 177.100 177.100 177.004 0.097 25135 110 1 . 1 1 20 20 GLU CA C 20 55.900 55.900 55.827 0.073 25135 111 1 . 1 1 20 20 GLU CB C 20 30.600 30.600 29.849 0.751 25135 112 1 . 1 1 20 20 GLU H H 20 7.190 7.190 7.544 -0.354 25135 113 1 . 1 1 21 21 MET N N 21 120.500 120.500 120.040 0.460 25135 114 1 . 1 1 21 21 MET HA H 21 4.260 4.260 4.293 -0.033 25135 115 1 . 1 1 21 21 MET C C 21 177.800 177.800 176.509 1.291 25135 116 1 . 1 1 21 21 MET CA C 21 56.400 56.400 55.785 0.615 25135 117 1 . 1 1 21 21 MET CB C 21 33.300 33.300 32.653 0.647 25135 118 1 . 1 1 21 21 MET H H 21 6.940 6.940 7.404 -0.464 25135 119 1 . 1 1 22 22 LYS N N 22 120.500 120.500 123.120 -2.620 25135 120 1 . 1 1 22 22 LYS HA H 22 3.950 3.950 4.326 -0.376 25135 121 1 . 1 1 22 22 LYS C C 22 175.400 175.400 175.759 -0.359 25135 122 1 . 1 1 22 22 LYS CA C 22 57.000 57.000 56.174 0.826 25135 123 1 . 1 1 22 22 LYS CB C 22 33.600 33.600 33.088 0.512 25135 124 1 . 1 1 22 22 LYS H H 22 8.760 8.760 8.797 -0.037 25135 125 1 . 1 1 23 23 TYR N N 23 115.500 115.500 117.598 -2.098 25135 126 1 . 1 1 23 23 TYR HA H 23 4.910 4.910 4.639 0.270 25135 127 1 . 1 1 23 23 TYR C C 23 173.700 173.700 174.964 -1.264 25135 128 1 . 1 1 23 23 TYR CA C 23 55.000 55.000 57.703 -2.703 25135 129 1 . 1 1 23 23 TYR CB C 23 41.900 41.900 41.514 0.386 25135 130 1 . 1 1 23 23 TYR H H 23 7.260 7.260 7.602 -0.342 25135 131 1 . 1 1 24 24 CYS N N 24 113.600 113.600 117.473 -3.873 25135 132 1 . 1 1 24 24 CYS HA H 24 3.700 3.700 4.112 -0.412 25135 133 1 . 1 1 24 24 CYS C C 24 174.700 174.700 175.760 -1.060 25135 134 1 . 1 1 24 24 CYS CA C 24 60.400 60.400 59.513 0.887 25135 135 1 . 1 1 24 24 CYS CB C 24 26.100 26.100 26.210 -0.111 25135 136 1 . 1 1 24 24 CYS H H 24 8.720 8.720 9.149 -0.429 25135 137 1 . 1 1 25 25 LYS N N 25 115.800 115.800 119.655 -3.855 25135 138 1 . 1 1 25 25 LYS HA H 25 3.580 3.580 3.905 -0.325 25135 139 1 . 1 1 25 25 LYS C C 25 179.800 179.800 178.474 1.326 25135 140 1 . 1 1 25 25 LYS CA C 25 60.700 60.700 59.492 1.208 25135 141 1 . 1 1 25 25 LYS CB C 25 33.300 33.300 32.291 1.010 25135 142 1 . 1 1 25 25 LYS H H 25 8.050 8.050 8.485 -0.435 25135 143 1 . 1 1 26 26 LYS N N 26 121.000 121.000 119.132 1.868 25135 144 1 . 1 1 26 26 LYS HA H 26 3.990 3.990 3.910 0.080 25135 145 1 . 1 1 26 26 LYS C C 26 181.300 181.300 179.327 1.973 25135 146 1 . 1 1 26 26 LYS CA C 26 59.000 59.000 59.766 -0.766 25135 147 1 . 1 1 26 26 LYS CB C 26 30.400 30.400 31.720 -1.320 25135 148 1 . 1 1 26 26 LYS H H 26 10.600 10.600 8.415 2.186 25135 149 1 . 1 1 27 27 GLN N N 27 120.500 120.500 118.253 2.247 25135 150 1 . 1 1 27 27 GLN HA H 27 3.970 3.970 4.339 -0.369 25135 151 1 . 1 1 27 27 GLN C C 27 180.200 180.200 178.489 1.711 25135 152 1 . 1 1 27 27 GLN CA C 27 59.300 59.300 59.174 0.126 25135 153 1 . 1 1 27 27 GLN CB C 27 32.100 32.100 28.916 3.184 25135 154 1 . 1 1 27 27 GLN H H 27 9.890 9.890 7.992 1.898 25135 155 1 . 1 1 28 28 CYS N N 28 118.800 118.800 119.051 -0.251 25135 156 1 . 1 1 28 28 CYS HA H 28 4.210 4.210 3.790 0.420 25135 157 1 . 1 1 28 28 CYS C C 28 176.200 176.200 176.654 -0.454 25135 158 1 . 1 1 28 28 CYS CA C 28 64.300 64.300 63.819 0.481 25135 159 1 . 1 1 28 28 CYS CB C 28 26.800 26.800 27.175 -0.375 25135 160 1 . 1 1 28 28 CYS H H 28 8.550 8.550 8.472 0.078 25135 161 1 . 1 1 29 29 ARG N N 29 119.300 119.300 119.431 -0.131 25135 162 1 . 1 1 29 29 ARG HA H 29 3.870 3.870 3.909 -0.039 25135 163 1 . 1 1 29 29 ARG C C 29 178.900 178.900 178.644 0.256 25135 164 1 . 1 1 29 29 ARG CA C 29 59.300 59.300 59.340 -0.040 25135 165 1 . 1 1 29 29 ARG CB C 29 29.200 29.200 29.437 -0.237 25135 166 1 . 1 1 29 29 ARG H H 29 8.700 8.700 8.599 0.101 25135 167 1 . 1 1 30 30 ARG N N 30 119.700 119.700 119.302 0.398 25135 168 1 . 1 1 30 30 ARG HA H 30 3.890 3.890 4.054 -0.164 25135 169 1 . 1 1 30 30 ARG C C 30 178.000 178.000 178.447 -0.447 25135 170 1 . 1 1 30 30 ARG CA C 30 58.200 58.200 59.231 -1.031 25135 171 1 . 1 1 30 30 ARG CB C 30 29.100 29.100 29.879 -0.779 25135 172 1 . 1 1 30 30 ARG H H 30 7.810 7.810 7.421 0.389 25135 173 1 . 1 1 31 31 LEU N N 31 120.600 120.600 120.931 -0.331 25135 174 1 . 1 1 31 31 LEU HA H 31 4.040 4.040 3.603 0.437 25135 175 1 . 1 1 31 31 LEU C C 31 178.400 178.400 178.199 0.201 25135 176 1 . 1 1 31 31 LEU CA C 31 58.300 58.300 57.747 0.553 25135 177 1 . 1 1 31 31 LEU CB C 31 40.200 40.200 40.336 -0.136 25135 178 1 . 1 1 31 31 LEU H H 31 7.310 7.310 7.980 -0.670 25135 179 1 . 1 1 32 32 GLY N N 32 105.200 105.200 105.255 -0.055 25135 180 1 . 1 1 32 32 GLY C C 32 175.600 175.600 175.862 -0.262 25135 181 1 . 1 1 32 32 GLY CA C 32 48.400 48.400 47.192 1.208 25135 182 1 . 1 1 32 32 GLY H H 32 7.960 7.960 7.962 -0.002 25135 183 1 . 1 1 33 33 HIS N N 33 120.500 120.500 122.395 -1.895 25135 184 1 . 1 1 33 33 HIS HA H 33 4.230 4.230 4.187 0.043 25135 185 1 . 1 1 33 33 HIS C C 33 179.400 179.400 178.027 1.373 25135 186 1 . 1 1 33 33 HIS CA C 33 59.600 59.600 59.779 -0.179 25135 187 1 . 1 1 33 33 HIS CB C 33 30.600 30.600 30.114 0.486 25135 188 1 . 1 1 33 33 HIS H H 33 8.340 8.340 8.220 0.120 25135 189 1 . 1 1 34 34 ARG N N 34 121.900 121.900 118.902 2.998 25135 190 1 . 1 1 34 34 ARG HA H 34 3.870 3.870 4.013 -0.143 25135 191 1 . 1 1 34 34 ARG C C 34 179.600 179.600 178.512 1.088 25135 192 1 . 1 1 34 34 ARG CA C 34 59.500 59.500 59.215 0.285 25135 193 1 . 1 1 34 34 ARG CB C 34 30.100 30.100 29.807 0.293 25135 194 1 . 1 1 34 34 ARG H H 34 8.680 8.680 8.584 0.096 25135 195 1 . 1 1 35 35 VAL N N 35 118.500 118.500 120.717 -2.217 25135 196 1 . 1 1 35 35 VAL HA H 35 3.410 3.410 3.458 -0.048 25135 197 1 . 1 1 35 35 VAL C C 35 177.600 177.600 177.932 -0.332 25135 198 1 . 1 1 35 35 VAL CA C 35 67.800 67.800 66.371 1.429 25135 199 1 . 1 1 35 35 VAL CB C 35 31.300 31.300 31.386 -0.086 25135 200 1 . 1 1 35 35 VAL H H 35 8.500 8.500 7.929 0.571 25135 201 1 . 1 1 36 36 LEU N N 36 118.300 118.300 119.507 -1.207 25135 202 1 . 1 1 36 36 LEU HA H 36 3.900 3.900 3.756 0.144 25135 203 1 . 1 1 36 36 LEU C C 36 179.600 179.600 179.075 0.525 25135 204 1 . 1 1 36 36 LEU CA C 36 58.000 58.000 57.806 0.194 25135 205 1 . 1 1 36 36 LEU CB C 36 41.400 41.400 41.022 0.378 25135 206 1 . 1 1 36 36 LEU H H 36 7.890 7.890 8.687 -0.797 25135 207 1 . 1 1 37 37 GLY N N 37 104.900 104.900 105.069 -0.169 25135 208 1 . 1 1 37 37 GLY C C 37 175.700 175.700 175.320 0.380 25135 209 1 . 1 1 37 37 GLY CA C 37 46.700 46.700 46.725 -0.025 25135 210 1 . 1 1 37 37 GLY H H 37 7.760 7.760 7.628 0.132 25135 211 1 . 1 1 38 38 LEU N N 38 120.500 120.500 119.925 0.575 25135 212 1 . 1 1 38 38 LEU HA H 38 3.590 3.590 3.704 -0.114 25135 213 1 . 1 1 38 38 LEU C C 38 176.900 176.900 178.084 -1.184 25135 214 1 . 1 1 38 38 LEU CA C 38 56.500 56.500 56.087 0.413 25135 215 1 . 1 1 38 38 LEU CB C 38 41.600 41.600 42.289 -0.689 25135 216 1 . 1 1 38 38 LEU H H 38 7.720 7.720 7.467 0.253 25135 217 1 . 1 1 39 39 ILE N N 39 108.700 108.700 116.236 -7.536 25135 218 1 . 1 1 39 39 ILE HA H 39 4.190 4.190 3.998 0.192 25135 219 1 . 1 1 39 39 ILE C C 39 178.100 178.100 177.073 1.027 25135 220 1 . 1 1 39 39 ILE CA C 39 62.700 62.700 63.529 -0.829 25135 221 1 . 1 1 39 39 ILE CB C 39 38.500 38.500 37.970 0.530 25135 222 1 . 1 1 39 39 ILE H H 39 7.540 7.540 7.420 0.120 25135 223 1 . 1 1 40 40 LYS N N 40 122.800 122.800 122.225 0.575 25135 224 1 . 1 1 40 40 LYS HA H 40 4.430 4.430 4.208 0.222 25135 225 1 . 1 1 40 40 LYS CA C 40 60.700 60.700 59.929 0.771 25135 226 1 . 1 1 40 40 LYS CB C 40 29.400 29.400 29.399 0.001 25135 227 1 . 1 1 40 40 LYS H H 40 7.600 7.600 8.433 -0.833 25135 228 1 . 1 1 41 41 PRO HA H 41 4.430 4.430 4.328 0.102 25135 229 1 . 1 1 41 41 PRO C C 41 178.700 178.700 179.040 -0.340 25135 230 1 . 1 1 41 41 PRO CA C 41 65.500 65.500 65.579 -0.079 25135 231 1 . 1 1 41 41 PRO CB C 41 31.600 31.600 31.384 0.216 25135 232 1 . 1 1 42 42 LEU N N 42 114.400 114.400 118.600 -4.200 25135 233 1 . 1 1 42 42 LEU HA H 42 4.060 4.060 3.998 0.062 25135 234 1 . 1 1 42 42 LEU C C 42 178.800 178.800 179.043 -0.243 25135 235 1 . 1 1 42 42 LEU CA C 42 57.100 57.100 57.753 -0.653 25135 236 1 . 1 1 42 42 LEU CB C 42 40.300 40.300 41.086 -0.786 25135 237 1 . 1 1 42 42 LEU H H 42 7.200 7.200 7.720 -0.520 25135 238 1 . 1 1 43 43 GLU N N 43 119.200 119.200 118.469 0.730 25135 239 1 . 1 1 43 43 GLU HA H 43 3.920 3.920 3.963 -0.043 25135 240 1 . 1 1 43 43 GLU C C 43 179.100 179.100 178.727 0.373 25135 241 1 . 1 1 43 43 GLU CA C 43 59.500 59.500 59.530 -0.030 25135 242 1 . 1 1 43 43 GLU CB C 43 30.100 30.100 29.350 0.750 25135 243 1 . 1 1 43 43 GLU H H 43 8.120 8.120 8.061 0.059 25135 244 1 . 1 1 44 44 MET N N 44 116.500 116.500 115.709 0.791 25135 245 1 . 1 1 44 44 MET HA H 44 4.310 4.310 4.284 0.026 25135 246 1 . 1 1 44 44 MET C C 44 177.900 177.900 177.584 0.316 25135 247 1 . 1 1 44 44 MET CA C 44 57.600 57.600 57.650 -0.050 25135 248 1 . 1 1 44 44 MET CB C 44 32.500 32.500 32.873 -0.373 25135 249 1 . 1 1 44 44 MET H H 44 7.600 7.600 7.628 -0.028 25135 250 1 . 1 1 45 45 LEU N N 45 119.900 119.900 118.620 1.280 25135 251 1 . 1 1 45 45 LEU HA H 45 4.150 4.150 4.285 -0.135 25135 252 1 . 1 1 45 45 LEU C C 45 178.000 178.000 178.848 -0.848 25135 253 1 . 1 1 45 45 LEU CA C 45 56.600 56.600 57.988 -1.388 25135 254 1 . 1 1 45 45 LEU CB C 45 42.000 42.000 42.601 -0.601 25135 255 1 . 1 1 45 45 LEU H H 45 7.620 7.620 7.846 -0.226 25135 256 1 . 1 1 46 46 GLN N N 46 118.300 118.300 118.309 -0.009 25135 257 1 . 1 1 46 46 GLN HA H 46 4.020 4.020 4.140 -0.120 25135 258 1 . 1 1 46 46 GLN C C 46 176.500 176.500 177.934 -1.434 25135 259 1 . 1 1 46 46 GLN CA C 46 57.700 57.700 58.133 -0.433 25135 260 1 . 1 1 46 46 GLN CB C 46 29.500 29.500 28.068 1.432 25135 261 1 . 1 1 46 46 GLN H H 46 7.950 7.950 8.605 -0.655 25135 262 1 . 1 1 47 47 ASP N N 47 119.000 119.000 119.733 -0.733 25135 263 1 . 1 1 47 47 ASP HA H 47 4.570 4.570 4.407 0.163 25135 264 1 . 1 1 47 47 ASP C C 47 176.900 176.900 178.186 -1.286 25135 265 1 . 1 1 47 47 ASP CA C 47 55.300 55.300 56.585 -1.285 25135 266 1 . 1 1 47 47 ASP CB C 47 41.300 41.300 40.976 0.324 25135 267 1 . 1 1 47 47 ASP H H 47 7.890 7.890 7.803 0.087 25135 268 1 . 1 1 48 48 GLN N N 48 119.500 119.500 117.045 2.455 25135 269 1 . 1 1 48 48 GLN HA H 48 4.230 4.230 4.186 0.044 25135 270 1 . 1 1 48 48 GLN C C 48 177.200 177.200 177.202 -0.002 25135 271 1 . 1 1 48 48 GLN CA C 48 56.700 56.700 56.818 -0.118 25135 272 1 . 1 1 48 48 GLN CB C 48 29.300 29.300 29.238 0.062 25135 273 1 . 1 1 48 48 GLN H H 48 8.080 8.080 7.775 0.305 25135 274 1 . 1 1 49 49 GLY N N 49 108.100 108.100 107.497 0.603 25135 275 1 . 1 1 49 49 GLY C C 49 174.300 174.300 174.422 -0.122 25135 276 1 . 1 1 49 49 GLY CA C 49 46.000 46.000 45.183 0.817 25135 277 1 . 1 1 49 49 GLY H H 49 8.270 8.270 7.843 0.427 25135 278 1 . 1 1 50 50 LYS N N 50 120.200 120.200 120.430 -0.230 25135 279 1 . 1 1 50 50 LYS HA H 50 4.320 4.320 4.150 0.170 25135 280 1 . 1 1 50 50 LYS C C 50 176.400 176.400 176.385 0.015 25135 281 1 . 1 1 50 50 LYS CA C 50 56.500 56.500 56.800 -0.300 25135 282 1 . 1 1 50 50 LYS CB C 50 32.900 32.900 32.643 0.257 25135 283 1 . 1 1 50 50 LYS H H 50 8.130 8.130 8.213 -0.083 25135 284 1 . 1 1 51 51 ARG N N 51 121.300 121.300 119.066 2.234 25135 285 1 . 1 1 51 51 ARG HA H 51 4.460 4.460 4.297 0.163 25135 286 1 . 1 1 51 51 ARG C C 51 176.100 176.100 174.136 1.965 25135 287 1 . 1 1 51 51 ARG CA C 51 56.000 56.000 56.597 -0.597 25135 288 1 . 1 1 51 51 ARG CB C 51 31.200 31.200 31.513 -0.313 25135 289 1 . 1 1 51 51 ARG H H 51 8.260 8.260 7.987 0.273 25135 290 1 . 1 1 52 52 SER N N 52 116.900 116.900 116.823 0.077 25135 291 1 . 1 1 52 52 SER HA H 52 4.550 4.550 4.662 -0.112 25135 292 1 . 1 1 52 52 SER C C 52 173.900 173.900 173.240 0.660 25135 293 1 . 1 1 52 52 SER CA C 52 57.800 57.800 58.033 -0.233 25135 294 1 . 1 1 52 52 SER CB C 52 64.300 64.300 64.145 0.155 25135 295 1 . 1 1 52 52 SER H H 52 8.150 8.150 8.463 -0.313 25135 296 1 . 1 1 53 53 VAL N N 53 124.300 124.300 125.389 -1.089 25135 297 1 . 1 1 53 53 VAL HA H 53 4.290 4.290 4.281 0.009 25135 298 1 . 1 1 53 53 VAL CA C 53 60.400 60.400 59.617 0.783 25135 299 1 . 1 1 53 53 VAL CB C 53 32.500 32.500 32.742 -0.242 25135 300 1 . 1 1 53 53 VAL H H 53 8.420 8.420 8.308 0.112 25135 301 1 . 1 1 54 54 PRO HA H 54 4.490 4.490 4.535 -0.045 25135 302 1 . 1 1 54 54 PRO C C 54 176.600 176.600 176.199 0.401 25135 303 1 . 1 1 54 54 PRO CA C 54 62.500 62.500 62.628 -0.128 25135 304 1 . 1 1 54 54 PRO CB C 54 32.600 32.600 30.653 1.947 25135 305 1 . 1 1 55 55 SER N N 55 119.500 119.500 118.479 1.021 25135 306 1 . 1 1 55 55 SER HA H 55 4.370 4.370 4.425 -0.055 25135 307 1 . 1 1 55 55 SER C C 55 175.500 175.500 175.808 -0.308 25135 308 1 . 1 1 55 55 SER CA C 55 58.200 58.200 57.568 0.632 25135 309 1 . 1 1 55 55 SER CB C 55 64.200 64.200 64.923 -0.723 25135 310 1 . 1 1 55 55 SER H H 55 8.970 8.970 8.157 0.813 25135 311 1 . 1 1 56 56 GLU N N 56 123.000 123.000 123.558 -0.558 25135 312 1 . 1 1 56 56 GLU HA H 56 4.140 4.140 4.053 0.087 25135 313 1 . 1 1 56 56 GLU C C 56 179.300 179.300 178.441 0.859 25135 314 1 . 1 1 56 56 GLU CA C 56 59.700 59.700 59.865 -0.165 25135 315 1 . 1 1 56 56 GLU CB C 56 29.200 29.200 29.646 -0.446 25135 316 1 . 1 1 56 56 GLU H H 56 9.030 9.030 9.016 0.014 25135 317 1 . 1 1 57 57 LYS N N 57 118.900 118.900 118.258 0.642 25135 318 1 . 1 1 57 57 LYS HA H 57 4.000 4.000 4.094 -0.094 25135 319 1 . 1 1 57 57 LYS C C 57 179.400 179.400 178.354 1.046 25135 320 1 . 1 1 57 57 LYS CA C 57 59.600 59.600 59.076 0.524 25135 321 1 . 1 1 57 57 LYS CB C 57 32.700 32.700 31.936 0.764 25135 322 1 . 1 1 57 57 LYS H H 57 8.150 8.150 8.223 -0.073 25135 323 1 . 1 1 58 58 LEU N N 58 122.800 122.800 120.751 2.049 25135 324 1 . 1 1 58 58 LEU HA H 58 4.100 4.100 4.101 -0.001 25135 325 1 . 1 1 58 58 LEU C C 58 178.200 178.200 178.435 -0.235 25135 326 1 . 1 1 58 58 LEU CA C 58 58.300 58.300 58.144 0.156 25135 327 1 . 1 1 58 58 LEU CB C 58 40.500 40.500 41.368 -0.868 25135 328 1 . 1 1 58 58 LEU H H 58 8.420 8.420 7.917 0.503 25135 329 1 . 1 1 59 59 THR N N 59 117.800 117.800 113.326 4.474 25135 330 1 . 1 1 59 59 THR HA H 59 3.730 3.730 4.026 -0.296 25135 331 1 . 1 1 59 59 THR C C 59 176.800 176.800 176.609 0.191 25135 332 1 . 1 1 59 59 THR CA C 59 67.500 67.500 66.757 0.743 25135 333 1 . 1 1 59 59 THR CB C 59 68.400 68.400 68.349 0.051 25135 334 1 . 1 1 59 59 THR H H 59 8.600 8.600 8.184 0.416 25135 335 1 . 1 1 60 60 THR N N 60 118.300 118.300 117.469 0.831 25135 336 1 . 1 1 60 60 THR HA H 60 3.980 3.980 4.033 -0.053 25135 337 1 . 1 1 60 60 THR C C 60 176.400 176.400 175.946 0.454 25135 338 1 . 1 1 60 60 THR CA C 60 66.900 66.900 66.649 0.251 25135 339 1 . 1 1 60 60 THR CB C 60 68.400 68.400 68.630 -0.230 25135 340 1 . 1 1 60 60 THR H H 60 8.390 8.390 7.612 0.778 25135 341 1 . 1 1 61 61 ALA N N 61 124.900 124.900 124.641 0.259 25135 342 1 . 1 1 61 61 ALA HA H 61 4.120 4.120 4.127 -0.007 25135 343 1 . 1 1 61 61 ALA C C 61 180.000 180.000 179.594 0.406 25135 344 1 . 1 1 61 61 ALA CA C 61 55.800 55.800 55.335 0.464 25135 345 1 . 1 1 61 61 ALA CB C 61 18.800 18.800 18.305 0.495 25135 346 1 . 1 1 61 61 ALA H H 61 8.090 8.090 7.791 0.299 25135 347 1 . 1 1 62 62 MET N N 62 118.300 118.300 117.526 0.774 25135 348 1 . 1 1 62 62 MET HA H 62 4.110 4.110 4.245 -0.135 25135 349 1 . 1 1 62 62 MET C C 62 178.300 178.300 178.737 -0.437 25135 350 1 . 1 1 62 62 MET CA C 62 59.600 59.600 59.705 -0.105 25135 351 1 . 1 1 62 62 MET CB C 62 32.500 32.500 32.184 0.316 25135 352 1 . 1 1 62 62 MET H H 62 8.820 8.820 8.671 0.149 25135 353 1 . 1 1 63 63 ASN N N 63 119.500 119.500 118.663 0.837 25135 354 1 . 1 1 63 63 ASN HA H 63 4.580 4.580 4.524 0.056 25135 355 1 . 1 1 63 63 ASN C C 63 179.000 179.000 177.814 1.186 25135 356 1 . 1 1 63 63 ASN CA C 63 56.300 56.300 56.699 -0.398 25135 357 1 . 1 1 63 63 ASN CB C 63 37.700 37.700 38.361 -0.661 25135 358 1 . 1 1 63 63 ASN H H 63 8.320 8.320 8.753 -0.433 25135 359 1 . 1 1 64 64 ARG N N 64 122.500 122.500 120.259 2.241 25135 360 1 . 1 1 64 64 ARG HA H 64 4.190 4.190 4.142 0.048 25135 361 1 . 1 1 64 64 ARG C C 64 179.300 179.300 178.944 0.356 25135 362 1 . 1 1 64 64 ARG CA C 64 59.700 59.700 59.393 0.307 25135 363 1 . 1 1 64 64 ARG CB C 64 30.700 30.700 29.988 0.712 25135 364 1 . 1 1 64 64 ARG H H 64 8.560 8.560 8.174 0.386 25135 365 1 . 1 1 65 65 PHE N N 65 123.100 123.100 122.467 0.633 25135 366 1 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.319 0.151 25135 367 1 . 1 1 65 65 PHE C C 65 176.400 176.400 176.970 -0.570 25135 368 1 . 1 1 65 65 PHE CA C 65 60.600 60.600 59.453 1.147 25135 369 1 . 1 1 65 65 PHE CB C 65 39.400 39.400 38.994 0.406 25135 370 1 . 1 1 65 65 PHE H H 65 8.560 8.560 8.839 -0.279 25135 371 1 . 1 1 66 66 LYS N N 66 119.800 119.800 119.668 0.132 25135 372 1 . 1 1 66 66 LYS HA H 66 3.620 3.620 3.769 -0.149 25135 373 1 . 1 1 66 66 LYS C C 66 177.600 177.600 178.812 -1.212 25135 374 1 . 1 1 66 66 LYS CA C 66 60.700 60.700 59.635 1.065 25135 375 1 . 1 1 66 66 LYS CB C 66 32.500 32.500 32.293 0.207 25135 376 1 . 1 1 66 66 LYS H H 66 8.610 8.610 8.834 -0.224 25135 377 1 . 1 1 67 67 ALA N N 67 119.000 119.000 121.564 -2.564 25135 378 1 . 1 1 67 67 ALA HA H 67 4.230 4.230 4.187 0.043 25135 379 1 . 1 1 67 67 ALA C C 67 180.400 180.400 179.225 1.175 25135 380 1 . 1 1 67 67 ALA CA C 67 55.000 55.000 54.667 0.334 25135 381 1 . 1 1 67 67 ALA CB C 67 18.000 18.000 18.563 -0.563 25135 382 1 . 1 1 67 67 ALA H H 67 8.000 8.000 8.282 -0.282 25135 383 1 . 1 1 68 68 ALA N N 68 122.200 122.200 121.865 0.335 25135 384 1 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.058 0.132 25135 385 1 . 1 1 68 68 ALA C C 68 179.800 179.800 179.730 0.070 25135 386 1 . 1 1 68 68 ALA CA C 68 55.200 55.200 54.851 0.349 25135 387 1 . 1 1 68 68 ALA CB C 68 17.800 17.800 18.412 -0.612 25135 388 1 . 1 1 68 68 ALA H H 68 7.950 7.950 8.416 -0.466 25135 389 1 . 1 1 69 69 LEU N N 69 118.900 118.900 119.175 -0.275 25135 390 1 . 1 1 69 69 LEU HA H 69 3.850 3.850 3.830 0.020 25135 391 1 . 1 1 69 69 LEU C C 69 179.200 179.200 178.871 0.329 25135 392 1 . 1 1 69 69 LEU CA C 69 57.500 57.500 58.258 -0.758 25135 393 1 . 1 1 69 69 LEU CB C 69 41.400 41.400 41.546 -0.146 25135 394 1 . 1 1 69 69 LEU H H 69 8.020 8.020 8.366 -0.346 25135 395 1 . 1 1 70 70 GLU N N 70 120.500 120.500 118.316 2.184 25135 396 1 . 1 1 70 70 GLU HA H 70 3.940 3.940 3.821 0.119 25135 397 1 . 1 1 70 70 GLU C C 70 180.500 180.500 179.060 1.440 25135 398 1 . 1 1 70 70 GLU CA C 70 59.900 59.900 59.833 0.067 25135 399 1 . 1 1 70 70 GLU CB C 70 29.200 29.200 28.994 0.206 25135 400 1 . 1 1 70 70 GLU H H 70 8.590 8.590 7.835 0.755 25135 401 1 . 1 1 71 71 GLU N N 71 122.200 122.200 119.177 3.023 25135 402 1 . 1 1 71 71 GLU HA H 71 4.070 4.070 4.083 -0.013 25135 403 1 . 1 1 71 71 GLU C C 71 179.600 179.600 178.599 1.001 25135 404 1 . 1 1 71 71 GLU CA C 71 59.400 59.400 59.257 0.143 25135 405 1 . 1 1 71 71 GLU CB C 71 29.400 29.400 28.756 0.644 25135 406 1 . 1 1 71 71 GLU H H 71 8.300 8.300 7.606 0.694 25135 407 1 . 1 1 72 72 ALA N N 72 122.800 122.800 122.482 0.318 25135 408 1 . 1 1 72 72 ALA HA H 72 3.890 3.890 4.033 -0.143 25135 409 1 . 1 1 72 72 ALA C C 72 178.500 178.500 179.848 -1.348 25135 410 1 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.247 0.453 25135 411 1 . 1 1 72 72 ALA CB C 72 17.200 17.200 17.952 -0.752 25135 412 1 . 1 1 72 72 ALA H H 72 8.330 8.330 7.720 0.610 25135 413 1 . 1 1 73 73 ASN N N 73 115.700 115.700 117.287 -1.587 25135 414 1 . 1 1 73 73 ASN HA H 73 4.450 4.450 4.344 0.106 25135 415 1 . 1 1 73 73 ASN C C 73 177.600 177.600 177.901 -0.301 25135 416 1 . 1 1 73 73 ASN CA C 73 56.300 56.300 56.184 0.116 25135 417 1 . 1 1 73 73 ASN CB C 73 38.900 38.900 38.264 0.636 25135 418 1 . 1 1 73 73 ASN H H 73 8.460 8.460 8.706 -0.246 25135 419 1 . 1 1 74 74 GLY N N 74 105.500 105.500 108.157 -2.657 25135 420 1 . 1 1 74 74 GLY C C 74 177.100 177.100 176.226 0.874 25135 421 1 . 1 1 74 74 GLY CA C 74 47.000 47.000 46.870 0.130 25135 422 1 . 1 1 74 74 GLY H H 74 8.070 8.070 8.532 -0.462 25135 423 1 . 1 1 75 75 GLU N N 75 123.500 123.500 122.668 0.832 25135 424 1 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.877 0.233 25135 425 1 . 1 1 75 75 GLU C C 75 178.500 178.500 179.244 -0.744 25135 426 1 . 1 1 75 75 GLU CA C 75 58.700 58.700 59.177 -0.477 25135 427 1 . 1 1 75 75 GLU CB C 75 29.900 29.900 29.494 0.406 25135 428 1 . 1 1 75 75 GLU H H 75 8.110 8.110 8.408 -0.298 25135 429 1 . 1 1 76 76 ILE N N 76 120.300 120.300 119.034 1.266 25135 430 1 . 1 1 76 76 ILE HA H 76 3.820 3.820 3.916 -0.096 25135 431 1 . 1 1 76 76 ILE C C 76 178.300 178.300 177.480 0.820 25135 432 1 . 1 1 76 76 ILE CA C 76 65.500 65.500 65.077 0.423 25135 433 1 . 1 1 76 76 ILE CB C 76 37.900 37.900 38.099 -0.199 25135 434 1 . 1 1 76 76 ILE H H 76 8.330 8.330 8.519 -0.189 25135 435 1 . 1 1 77 77 GLU N N 77 119.400 119.400 119.475 -0.075 25135 436 1 . 1 1 77 77 GLU HA H 77 3.920 3.920 4.022 -0.102 25135 437 1 . 1 1 77 77 GLU C C 77 180.200 180.200 178.932 1.268 25135 438 1 . 1 1 77 77 GLU CA C 77 59.700 59.700 59.007 0.693 25135 439 1 . 1 1 77 77 GLU CB C 77 29.300 29.300 29.797 -0.497 25135 440 1 . 1 1 77 77 GLU H H 77 7.860 7.860 7.935 -0.075 25135 441 1 . 1 1 78 78 LYS N N 78 121.600 121.600 119.136 2.464 25135 442 1 . 1 1 78 78 LYS HA H 78 3.900 3.900 4.047 -0.147 25135 443 1 . 1 1 78 78 LYS C C 78 179.200 179.200 178.213 0.987 25135 444 1 . 1 1 78 78 LYS CA C 78 59.900 59.900 58.338 1.562 25135 445 1 . 1 1 78 78 LYS CB C 78 32.300 32.300 32.254 0.046 25135 446 1 . 1 1 78 78 LYS H H 78 7.760 7.760 8.340 -0.580 25135 447 1 . 1 1 79 79 PHE N N 79 115.900 115.900 116.306 -0.406 25135 448 1 . 1 1 79 79 PHE HA H 79 4.680 4.680 4.624 0.056 25135 449 1 . 1 1 79 79 PHE C C 79 174.100 174.100 176.105 -2.005 25135 450 1 . 1 1 79 79 PHE CA C 79 58.200 58.200 57.173 1.027 25135 451 1 . 1 1 79 79 PHE CB C 79 36.900 36.900 38.954 -2.054 25135 452 1 . 1 1 79 79 PHE H H 79 8.170 8.170 7.507 0.663 25135 453 1 . 1 1 80 80 SER N N 80 113.300 113.300 114.595 -1.295 25135 454 1 . 1 1 80 80 SER HA H 80 4.500 4.500 4.287 0.213 25135 455 1 . 1 1 80 80 SER C C 80 173.700 173.700 174.530 -0.830 25135 456 1 . 1 1 80 80 SER CA C 80 60.500 60.500 60.455 0.045 25135 457 1 . 1 1 80 80 SER CB C 80 63.400 63.400 63.745 -0.345 25135 458 1 . 1 1 80 80 SER H H 80 7.700 7.700 7.462 0.238 25135 459 1 . 1 1 81 81 ASN N N 81 119.500 119.500 119.544 -0.044 25135 460 1 . 1 1 81 81 ASN HA H 81 4.970 4.970 4.717 0.253 25135 461 1 . 1 1 81 81 ASN CA C 81 52.100 52.100 52.830 -0.730 25135 462 1 . 1 1 81 81 ASN CB C 81 40.300 40.300 39.125 1.175 25135 463 1 . 1 1 81 81 ASN H H 81 7.290 7.290 7.880 -0.590 25135 464 1 . 1 1 82 82 ARG N N 82 127.400 127.400 126.647 0.753 25135 465 1 . 1 1 82 82 ARG HA H 82 3.590 3.590 3.062 0.528 25135 466 1 . 1 1 82 82 ARG C C 82 177.700 177.700 177.394 0.306 25135 467 1 . 1 1 82 82 ARG CA C 82 59.800 59.800 59.228 0.572 25135 468 1 . 1 1 82 82 ARG CB C 82 30.100 30.100 29.157 0.943 25135 469 1 . 1 1 82 82 ARG H H 82 9.050 9.050 8.622 0.428 25135 470 1 . 1 1 83 83 SER N N 83 114.600 114.600 113.797 0.803 25135 471 1 . 1 1 83 83 SER HA H 83 3.930 3.930 4.198 -0.268 25135 472 1 . 1 1 83 83 SER C C 83 177.100 177.100 176.222 0.878 25135 473 1 . 1 1 83 83 SER CA C 83 62.200 62.200 61.341 0.859 25135 474 1 . 1 1 83 83 SER CB C 83 62.000 62.000 62.635 -0.635 25135 475 1 . 1 1 83 83 SER H H 83 8.390 8.390 8.385 0.005 25135 476 1 . 1 1 84 84 ASN N N 84 119.700 119.700 119.512 0.188 25135 477 1 . 1 1 84 84 ASN HA H 84 4.600 4.600 4.677 -0.077 25135 478 1 . 1 1 84 84 ASN C C 84 179.100 179.100 177.482 1.618 25135 479 1 . 1 1 84 84 ASN CA C 84 55.400 55.400 55.580 -0.180 25135 480 1 . 1 1 84 84 ASN CB C 84 37.600 37.600 38.673 -1.073 25135 481 1 . 1 1 84 84 ASN H H 84 7.980 7.980 7.975 0.005 25135 482 1 . 1 1 85 85 ILE N N 85 122.100 122.100 122.027 0.073 25135 483 1 . 1 1 85 85 ILE HA H 85 3.820 3.820 4.053 -0.234 25135 484 1 . 1 1 85 85 ILE C C 85 176.900 176.900 177.563 -0.663 25135 485 1 . 1 1 85 85 ILE CA C 85 64.700 64.700 64.959 -0.259 25135 486 1 . 1 1 85 85 ILE CB C 85 37.400 37.400 36.968 0.432 25135 487 1 . 1 1 85 85 ILE H H 85 7.760 7.760 7.749 0.011 25135 488 1 . 1 1 86 86 CYS N N 86 119.200 119.200 117.320 1.880 25135 489 1 . 1 1 86 86 CYS HA H 86 3.940 3.940 3.718 0.222 25135 490 1 . 1 1 86 86 CYS C C 86 177.400 177.400 176.957 0.443 25135 491 1 . 1 1 86 86 CYS CA C 86 63.800 63.800 63.229 0.572 25135 492 1 . 1 1 86 86 CYS CB C 86 26.900 26.900 26.698 0.202 25135 493 1 . 1 1 86 86 CYS H H 86 8.330 8.330 8.082 0.248 25135 494 1 . 1 1 87 87 ARG N N 87 119.200 119.200 119.508 -0.308 25135 495 1 . 1 1 87 87 ARG HA H 87 4.020 4.020 4.219 -0.199 25135 496 1 . 1 1 87 87 ARG C C 87 178.500 178.500 178.466 0.034 25135 497 1 . 1 1 87 87 ARG CA C 87 59.500 59.500 58.964 0.536 25135 498 1 . 1 1 87 87 ARG CB C 87 30.300 30.300 29.949 0.351 25135 499 1 . 1 1 87 87 ARG H H 87 7.900 7.900 7.623 0.277 25135 500 1 . 1 1 88 88 PHE N N 88 120.300 120.300 121.519 -1.219 25135 501 1 . 1 1 88 88 PHE HA H 88 4.220 4.220 4.444 -0.224 25135 502 1 . 1 1 88 88 PHE C C 88 177.200 177.200 176.794 0.406 25135 503 1 . 1 1 88 88 PHE CA C 88 61.500 61.500 60.206 1.294 25135 504 1 . 1 1 88 88 PHE CB C 88 39.800 39.800 39.081 0.719 25135 505 1 . 1 1 88 88 PHE H H 88 7.760 7.760 8.299 -0.539 25135 506 1 . 1 1 89 89 LEU N N 89 117.900 117.900 119.448 -1.548 25135 507 1 . 1 1 89 89 LEU HA H 89 3.640 3.640 3.081 0.559 25135 508 1 . 1 1 89 89 LEU C C 89 178.700 178.700 178.623 0.077 25135 509 1 . 1 1 89 89 LEU CA C 89 57.400 57.400 57.432 -0.032 25135 510 1 . 1 1 89 89 LEU CB C 89 41.600 41.600 40.769 0.831 25135 511 1 . 1 1 89 89 LEU H H 89 8.590 8.590 8.117 0.473 25135 512 1 . 1 1 90 90 THR N N 90 112.000 112.000 112.164 -0.164 25135 513 1 . 1 1 90 90 THR HA H 90 3.980 3.980 4.090 -0.110 25135 514 1 . 1 1 90 90 THR C C 90 174.900 174.900 176.184 -1.284 25135 515 1 . 1 1 90 90 THR CA C 90 65.200 65.200 65.004 0.196 25135 516 1 . 1 1 90 90 THR CB C 90 69.300 69.300 69.181 0.119 25135 517 1 . 1 1 90 90 THR H H 90 7.690 7.690 7.501 0.189 25135 518 1 . 1 1 91 91 ALA N N 91 122.400 122.400 122.118 0.282 25135 519 1 . 1 1 91 91 ALA HA H 91 4.270 4.270 4.298 -0.028 25135 520 1 . 1 1 91 91 ALA C C 91 177.500 177.500 177.403 0.097 25135 521 1 . 1 1 91 91 ALA CA C 91 53.000 53.000 52.654 0.346 25135 522 1 . 1 1 91 91 ALA CB C 91 20.000 20.000 19.357 0.643 25135 523 1 . 1 1 91 91 ALA H H 91 7.220 7.220 7.715 -0.495 25135 524 1 . 1 1 92 92 SER N N 92 112.900 112.900 112.755 0.145 25135 525 1 . 1 1 92 92 SER HA H 92 4.130 4.130 4.216 -0.086 25135 526 1 . 1 1 92 92 SER CA C 92 57.600 57.600 58.728 -1.128 25135 527 1 . 1 1 92 92 SER CB C 92 64.000 64.000 61.662 2.338 25135 528 1 . 1 1 92 92 SER H H 92 7.510 7.510 7.969 -0.459 25135 529 1 . 1 1 93 93 GLN N N 93 125.700 125.700 122.451 3.249 25135 530 1 . 1 1 93 93 GLN HA H 93 4.200 4.200 4.208 -0.008 25135 531 1 . 1 1 93 93 GLN C C 93 176.700 176.700 176.421 0.279 25135 532 1 . 1 1 93 93 GLN CA C 93 57.700 57.700 58.827 -1.127 25135 533 1 . 1 1 93 93 GLN CB C 93 29.000 29.000 29.435 -0.435 25135 534 1 . 1 1 93 93 GLN H H 93 8.710 8.710 8.404 0.306 25135 535 1 . 1 1 94 94 ASP N N 94 116.400 116.400 115.168 1.232 25135 536 1 . 1 1 94 94 ASP HA H 94 4.560 4.560 4.815 -0.255 25135 537 1 . 1 1 94 94 ASP CA C 94 54.000 54.000 54.003 -0.003 25135 538 1 . 1 1 94 94 ASP CB C 94 41.700 41.700 41.755 -0.056 25135 539 1 . 1 1 94 94 ASP H H 94 7.800 7.800 8.607 -0.807 25135 540 1 . 1 1 95 95 LYS N N 95 114.300 114.300 115.818 -1.518 25135 541 1 . 1 1 95 95 LYS H H 95 8.290 8.290 8.696 -0.406 25135 542 1 . 1 1 96 96 ILE HA H 96 4.320 4.320 4.454 -0.134 25135 543 1 . 1 1 96 96 ILE C C 96 177.000 177.000 176.811 0.189 25135 544 1 . 1 1 96 96 ILE CA C 96 60.800 60.800 59.818 0.982 25135 545 1 . 1 1 96 96 ILE CB C 96 38.100 38.100 40.271 -2.171 25135 546 1 . 1 1 97 97 LEU N N 97 131.100 131.100 127.429 3.671 25135 547 1 . 1 1 97 97 LEU HA H 97 3.120 3.120 3.371 -0.251 25135 548 1 . 1 1 97 97 LEU C C 97 177.200 177.200 177.216 -0.016 25135 549 1 . 1 1 97 97 LEU CA C 97 58.000 58.000 58.358 -0.358 25135 550 1 . 1 1 97 97 LEU CB C 97 42.900 42.900 41.887 1.013 25135 551 1 . 1 1 97 97 LEU H H 97 8.620 8.620 9.038 -0.418 25135 552 1 . 1 1 98 98 PHE N N 98 113.600 113.600 110.729 2.871 25135 553 1 . 1 1 98 98 PHE HA H 98 5.100 5.100 4.985 0.115 25135 554 1 . 1 1 98 98 PHE C C 98 175.400 175.400 175.249 0.151 25135 555 1 . 1 1 98 98 PHE CA C 98 55.700 55.700 54.459 1.241 25135 556 1 . 1 1 98 98 PHE CB C 98 37.600 37.600 37.452 0.148 25135 557 1 . 1 1 98 98 PHE H H 98 8.450 8.450 7.867 0.583 25135 558 1 . 1 1 99 99 LYS N N 99 119.500 119.500 123.864 -4.364 25135 559 1 . 1 1 99 99 LYS HA H 99 3.880 3.880 3.898 -0.018 25135 560 1 . 1 1 99 99 LYS C C 99 178.900 178.900 177.904 0.996 25135 561 1 . 1 1 99 99 LYS CA C 99 61.100 61.100 60.088 1.012 25135 562 1 . 1 1 99 99 LYS CB C 99 33.500 33.500 32.314 1.186 25135 563 1 . 1 1 99 99 LYS H H 99 6.790 6.790 7.305 -0.515 25135 564 1 . 1 1 100 100 ASP N N 100 117.800 117.800 118.801 -1.001 25135 565 1 . 1 1 100 100 ASP HA H 100 4.610 4.610 4.423 0.187 25135 566 1 . 1 1 100 100 ASP C C 100 179.000 179.000 178.544 0.456 25135 567 1 . 1 1 100 100 ASP CA C 100 57.800 57.800 57.353 0.447 25135 568 1 . 1 1 100 100 ASP CB C 100 40.400 40.400 40.168 0.232 25135 569 1 . 1 1 100 100 ASP H H 100 8.520 8.520 8.683 -0.163 25135 570 1 . 1 1 101 101 VAL N N 101 122.600 122.600 119.068 3.532 25135 571 1 . 1 1 101 101 VAL HA H 101 3.860 3.860 3.822 0.038 25135 572 1 . 1 1 101 101 VAL C C 101 177.100 177.100 177.966 -0.866 25135 573 1 . 1 1 101 101 VAL CA C 101 65.700 65.700 66.474 -0.774 25135 574 1 . 1 1 101 101 VAL CB C 101 32.300 32.300 31.949 0.351 25135 575 1 . 1 1 101 101 VAL H H 101 8.210 8.210 7.779 0.431 25135 576 1 . 1 1 102 102 ASN N N 102 121.000 121.000 118.077 2.923 25135 577 1 . 1 1 102 102 ASN HA H 102 4.560 4.560 4.835 -0.275 25135 578 1 . 1 1 102 102 ASN C C 102 178.500 178.500 178.071 0.429 25135 579 1 . 1 1 102 102 ASN CA C 102 56.200 56.200 56.489 -0.289 25135 580 1 . 1 1 102 102 ASN CB C 102 37.900 37.900 38.073 -0.173 25135 581 1 . 1 1 102 102 ASN H H 102 9.060 9.060 8.547 0.513 25135 582 1 . 1 1 103 103 ARG N N 103 120.700 120.700 119.506 1.194 25135 583 1 . 1 1 103 103 ARG HA H 103 4.160 4.160 4.216 -0.056 25135 584 1 . 1 1 103 103 ARG C C 103 177.900 177.900 178.123 -0.223 25135 585 1 . 1 1 103 103 ARG CA C 103 59.100 59.100 59.221 -0.121 25135 586 1 . 1 1 103 103 ARG CB C 103 29.900 29.900 30.611 -0.711 25135 587 1 . 1 1 103 103 ARG H H 103 7.640 7.640 8.229 -0.589 25135 588 1 . 1 1 104 104 LYS N N 104 119.700 119.700 120.759 -1.059 25135 589 1 . 1 1 104 104 LYS HA H 104 4.190 4.190 4.259 -0.069 25135 590 1 . 1 1 104 104 LYS C C 104 179.300 179.300 178.806 0.494 25135 591 1 . 1 1 104 104 LYS CA C 104 60.100 60.100 59.330 0.770 25135 592 1 . 1 1 104 104 LYS CB C 104 32.500 32.500 32.681 -0.181 25135 593 1 . 1 1 104 104 LYS H H 104 7.960 7.960 8.049 -0.089 25135 594 1 . 1 1 105 105 LEU N N 105 118.200 118.200 121.131 -2.931 25135 595 1 . 1 1 105 105 LEU HA H 105 4.040 4.040 4.201 -0.161 25135 596 1 . 1 1 105 105 LEU C C 105 178.400 178.400 178.601 -0.201 25135 597 1 . 1 1 105 105 LEU CA C 105 58.500 58.500 58.241 0.259 25135 598 1 . 1 1 105 105 LEU CB C 105 42.500 42.500 42.017 0.483 25135 599 1 . 1 1 105 105 LEU H H 105 8.990 8.990 8.992 -0.002 25135 600 1 . 1 1 106 106 SER N N 106 111.700 111.700 114.348 -2.648 25135 601 1 . 1 1 106 106 SER HA H 106 3.870 3.870 4.443 -0.573 25135 602 1 . 1 1 106 106 SER C C 106 177.500 177.500 176.678 0.822 25135 603 1 . 1 1 106 106 SER CA C 106 61.400 61.400 62.067 -0.667 25135 604 1 . 1 1 106 106 SER CB C 106 62.600 62.600 62.625 -0.025 25135 605 1 . 1 1 106 106 SER H H 106 7.980 7.980 7.871 0.109 25135 606 1 . 1 1 107 107 ASP N N 107 122.000 122.000 122.375 -0.374 25135 607 1 . 1 1 107 107 ASP HA H 107 4.440 4.440 4.383 0.057 25135 608 1 . 1 1 107 107 ASP C C 107 179.700 179.700 178.657 1.043 25135 609 1 . 1 1 107 107 ASP CA C 107 57.900 57.900 57.411 0.489 25135 610 1 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.670 -0.070 25135 611 1 . 1 1 107 107 ASP H H 107 8.500 8.500 7.702 0.798 25135 612 1 . 1 1 108 108 VAL N N 108 119.200 119.200 119.097 0.103 25135 613 1 . 1 1 108 108 VAL HA H 108 4.010 4.010 3.765 0.245 25135 614 1 . 1 1 108 108 VAL C C 108 178.400 178.400 177.542 0.858 25135 615 1 . 1 1 108 108 VAL CA C 108 65.600 65.600 66.398 -0.799 25135 616 1 . 1 1 108 108 VAL CB C 108 31.500 31.500 31.351 0.149 25135 617 1 . 1 1 108 108 VAL H H 108 8.830 8.830 7.802 1.028 25135 618 1 . 1 1 109 109 TRP N N 109 121.900 121.900 121.516 0.384 25135 619 1 . 1 1 109 109 TRP HA H 109 4.270 4.270 3.931 0.339 25135 620 1 . 1 1 109 109 TRP C C 109 178.000 178.000 177.829 0.171 25135 621 1 . 1 1 109 109 TRP CA C 109 60.100 60.100 59.829 0.271 25135 622 1 . 1 1 109 109 TRP CB C 109 29.700 29.700 29.493 0.207 25135 623 1 . 1 1 109 109 TRP H H 109 8.710 8.710 7.819 0.891 25135 624 1 . 1 1 110 110 LYS N N 110 119.500 119.500 118.532 0.968 25135 625 1 . 1 1 110 110 LYS HA H 110 3.630 3.630 3.722 -0.092 25135 626 1 . 1 1 110 110 LYS C C 110 178.000 178.000 179.077 -1.077 25135 627 1 . 1 1 110 110 LYS CA C 110 60.500 60.500 59.766 0.734 25135 628 1 . 1 1 110 110 LYS CB C 110 32.200 32.200 32.019 0.181 25135 629 1 . 1 1 110 110 LYS H H 110 8.010 8.010 7.758 0.252 25135 630 1 . 1 1 111 111 GLU N N 111 116.700 116.700 118.385 -1.685 25135 631 1 . 1 1 111 111 GLU HA H 111 4.010 4.010 4.114 -0.104 25135 632 1 . 1 1 111 111 GLU C C 111 178.400 178.400 178.728 -0.328 25135 633 1 . 1 1 111 111 GLU CA C 111 58.800 58.800 58.278 0.522 25135 634 1 . 1 1 111 111 GLU CB C 111 30.400 30.400 30.004 0.396 25135 635 1 . 1 1 111 111 GLU H H 111 7.000 7.000 7.703 -0.703 25135 636 1 . 1 1 112 112 LEU N N 112 119.000 119.000 121.487 -2.487 25135 637 1 . 1 1 112 112 LEU HA H 112 3.740 3.740 4.173 -0.433 25135 638 1 . 1 1 112 112 LEU C C 112 177.600 177.600 177.681 -0.081 25135 639 1 . 1 1 112 112 LEU CA C 112 57.800 57.800 57.197 0.603 25135 640 1 . 1 1 112 112 LEU CB C 112 42.200 42.200 42.073 0.128 25135 641 1 . 1 1 112 112 LEU H H 112 8.380 8.380 8.215 0.165 25135 642 1 . 1 1 113 113 SER N N 113 113.100 113.100 115.022 -1.922 25135 643 1 . 1 1 113 113 SER HA H 113 3.190 3.190 3.508 -0.318 25135 644 1 . 1 1 113 113 SER C C 113 176.300 176.300 176.061 0.239 25135 645 1 . 1 1 113 113 SER CA C 113 61.600 61.600 61.242 0.358 25135 646 1 . 1 1 113 113 SER CB C 113 61.800 61.800 61.988 -0.188 25135 647 1 . 1 1 113 113 SER H H 113 8.490 8.490 8.014 0.476 25135 648 1 . 1 1 114 114 LEU N N 114 121.500 121.500 121.184 0.316 25135 649 1 . 1 1 114 114 LEU HA H 114 4.020 4.020 4.061 -0.041 25135 650 1 . 1 1 114 114 LEU C C 114 179.100 179.100 177.643 1.457 25135 651 1 . 1 1 114 114 LEU CA C 114 58.000 58.000 57.299 0.701 25135 652 1 . 1 1 114 114 LEU CB C 114 41.800 41.800 40.743 1.057 25135 653 1 . 1 1 114 114 LEU H H 114 6.810 6.810 7.169 -0.359 25135 654 1 . 1 1 115 115 LEU N N 115 118.200 118.200 118.545 -0.345 25135 655 1 . 1 1 115 115 LEU HA H 115 4.060 4.060 3.974 0.086 25135 656 1 . 1 1 115 115 LEU C C 115 179.600 179.600 179.115 0.485 25135 657 1 . 1 1 115 115 LEU CA C 115 57.700 57.700 57.103 0.597 25135 658 1 . 1 1 115 115 LEU CB C 115 43.100 43.100 41.838 1.262 25135 659 1 . 1 1 115 115 LEU H H 115 7.270 7.270 7.113 0.157 25135 660 1 . 1 1 116 116 LEU N N 116 118.700 118.700 120.288 -1.588 25135 661 1 . 1 1 116 116 LEU HA H 116 3.850 3.850 3.821 0.029 25135 662 1 . 1 1 116 116 LEU C C 116 179.300 179.300 179.210 0.090 25135 663 1 . 1 1 116 116 LEU CA C 116 57.600 57.600 58.196 -0.596 25135 664 1 . 1 1 116 116 LEU CB C 116 41.400 41.400 41.667 -0.267 25135 665 1 . 1 1 116 116 LEU H H 116 8.440 8.440 8.159 0.281 25135 666 1 . 1 1 117 117 GLN N N 117 119.500 119.500 116.887 2.613 25135 667 1 . 1 1 117 117 GLN HA H 117 4.340 4.340 4.237 0.103 25135 668 1 . 1 1 117 117 GLN C C 117 178.200 178.200 178.462 -0.262 25135 669 1 . 1 1 117 117 GLN CA C 117 58.800 58.800 58.774 0.026 25135 670 1 . 1 1 117 117 GLN CB C 117 28.800 28.800 28.541 0.259 25135 671 1 . 1 1 117 117 GLN H H 117 8.030 8.030 8.180 -0.150 25135 672 1 . 1 1 118 118 VAL N N 118 117.600 117.600 119.304 -1.704 25135 673 1 . 1 1 118 118 VAL HA H 118 3.840 3.840 3.814 0.026 25135 674 1 . 1 1 118 118 VAL C C 118 177.900 177.900 177.603 0.297 25135 675 1 . 1 1 118 118 VAL CA C 118 65.400 65.400 65.265 0.135 25135 676 1 . 1 1 118 118 VAL CB C 118 32.900 32.900 31.684 1.216 25135 677 1 . 1 1 118 118 VAL H H 118 8.110 8.110 7.600 0.510 25135 678 1 . 1 1 119 119 GLU N N 119 116.900 116.900 118.090 -1.190 25135 679 1 . 1 1 119 119 GLU HA H 119 4.310 4.310 4.107 0.203 25135 680 1 . 1 1 119 119 GLU C C 119 177.700 177.700 178.780 -1.080 25135 681 1 . 1 1 119 119 GLU CA C 119 58.400 58.400 58.818 -0.418 25135 682 1 . 1 1 119 119 GLU CB C 119 30.700 30.700 29.587 1.113 25135 683 1 . 1 1 119 119 GLU H H 119 8.620 8.620 8.335 0.285 25135 684 1 . 1 1 120 120 GLN N N 120 113.300 113.300 116.622 -3.322 25135 685 1 . 1 1 120 120 GLN HA H 120 4.450 4.450 4.347 0.103 25135 686 1 . 1 1 120 120 GLN C C 120 174.700 174.700 176.414 -1.714 25135 687 1 . 1 1 120 120 GLN CA C 120 54.500 54.500 55.932 -1.432 25135 688 1 . 1 1 120 120 GLN CB C 120 28.600 28.600 29.804 -1.204 25135 689 1 . 1 1 120 120 GLN H H 120 7.350 7.350 8.093 -0.743 25135 690 1 . 1 1 121 121 ARG N N 121 114.800 114.800 114.655 0.145 25135 691 1 . 1 1 121 121 ARG HA H 121 4.120 4.120 4.148 -0.028 25135 692 1 . 1 1 121 121 ARG C C 121 175.600 175.600 175.659 -0.059 25135 693 1 . 1 1 121 121 ARG CA C 121 56.600 56.600 57.038 -0.438 25135 694 1 . 1 1 121 121 ARG CB C 121 27.700 27.700 27.435 0.265 25135 695 1 . 1 1 121 121 ARG H H 121 7.410 7.410 7.881 -0.471 25135 696 1 . 1 1 122 122 MET N N 122 120.300 120.300 117.721 2.579 25135 697 1 . 1 1 122 122 MET HA H 122 4.600 4.600 4.834 -0.234 25135 698 1 . 1 1 122 122 MET CA C 122 53.700 53.700 53.500 0.200 25135 699 1 . 1 1 122 122 MET CB C 122 34.700 34.700 32.643 2.057 25135 700 1 . 1 1 122 122 MET H H 122 7.760 7.760 7.480 0.280 25135 701 1 . 1 1 123 123 PRO HA H 123 4.480 4.480 4.490 -0.010 25135 702 1 . 1 1 123 123 PRO C C 123 176.300 176.300 175.785 0.515 25135 703 1 . 1 1 123 123 PRO CA C 123 62.800 62.800 63.337 -0.537 25135 704 1 . 1 1 123 123 PRO CB C 123 31.300 31.300 31.679 -0.379 25135 705 1 . 1 1 124 124 VAL N N 124 120.000 120.000 122.369 -2.369 25135 706 1 . 1 1 124 124 VAL HA H 124 4.080 4.080 4.394 -0.314 25135 707 1 . 1 1 124 124 VAL C C 124 175.800 175.800 175.122 0.678 25135 708 1 . 1 1 124 124 VAL CA C 124 61.700 61.700 60.879 0.821 25135 709 1 . 1 1 124 124 VAL CB C 124 33.100 33.100 34.309 -1.209 25135 710 1 . 1 1 124 124 VAL H H 124 8.080 8.080 8.243 -0.163 25135 711 1 . 1 1 125 125 SER N N 125 121.200 121.200 119.007 2.193 25135 712 1 . 1 1 125 125 SER HA H 125 4.800 4.800 4.903 -0.103 25135 713 1 . 1 1 125 125 SER CA C 125 56.200 56.200 56.005 0.195 25135 714 1 . 1 1 125 125 SER CB C 125 63.700 63.700 63.892 -0.192 25135 715 1 . 1 1 125 125 SER H H 125 8.380 8.380 8.243 0.137 25135 716 1 . 1 1 126 126 PRO HA H 126 4.480 4.480 4.384 0.096 25135 717 1 . 1 1 126 126 PRO C C 126 177.100 177.100 176.353 0.747 25135 718 1 . 1 1 126 126 PRO CA C 126 63.400 63.400 63.499 -0.099 25135 719 1 . 1 1 126 126 PRO CB C 126 31.900 31.900 29.978 1.922 25135 720 1 . 1 1 127 127 ILE N N 127 119.900 119.900 120.284 -0.384 25135 721 1 . 1 1 127 127 ILE HA H 127 4.140 4.140 4.042 0.098 25135 722 1 . 1 1 127 127 ILE C C 127 176.300 176.300 176.847 -0.546 25135 723 1 . 1 1 127 127 ILE CA C 127 61.300 61.300 62.724 -1.424 25135 724 1 . 1 1 127 127 ILE CB C 127 38.800 38.800 36.137 2.663 25135 725 1 . 1 1 127 127 ILE H H 127 8.050 8.050 8.851 -0.801 25135 726 1 . 1 1 128 128 SER N N 128 119.000 119.000 116.427 2.573 25135 727 1 . 1 1 128 128 SER HA H 128 4.400 4.400 4.148 0.252 25135 728 1 . 1 1 128 128 SER C C 128 174.600 174.600 174.922 -0.322 25135 729 1 . 1 1 128 128 SER CA C 128 58.300 58.300 60.480 -2.180 25135 730 1 . 1 1 128 128 SER CB C 128 63.600 63.600 62.858 0.742 25135 731 1 . 1 1 128 128 SER H H 128 8.230 8.230 8.799 -0.569 25135 732 1 . 1 1 129 129 GLN N N 129 122.600 122.600 117.709 4.891 25135 733 1 . 1 1 129 129 GLN HA H 129 4.230 4.230 4.417 -0.187 25135 734 1 . 1 1 129 129 GLN C C 129 176.200 176.200 176.312 -0.112 25135 735 1 . 1 1 129 129 GLN CA C 129 56.300 56.300 55.806 0.494 25135 736 1 . 1 1 129 129 GLN CB C 129 29.100 29.100 29.257 -0.157 25135 737 1 . 1 1 129 129 GLN H H 129 8.340 8.340 8.223 0.117 25135 738 1 . 1 1 130 130 GLY N N 130 109.200 109.200 107.447 1.753 25135 739 1 . 1 1 130 130 GLY C C 130 175.100 175.100 174.137 0.963 25135 740 1 . 1 1 130 130 GLY CA C 130 45.200 45.200 45.249 -0.050 25135 741 1 . 1 1 130 130 GLY H H 130 8.150 8.150 8.308 -0.158 25135 742 1 . 1 1 131 131 ALA N N 131 124.700 124.700 124.101 0.599 25135 743 1 . 1 1 131 131 ALA HA H 131 4.230 4.230 3.008 1.222 25135 744 1 . 1 1 131 131 ALA C C 131 178.700 178.700 177.355 1.345 25135 745 1 . 1 1 131 131 ALA CA C 131 53.800 53.800 51.907 1.893 25135 746 1 . 1 1 131 131 ALA CB C 131 18.900 18.900 18.400 0.500 25135 747 1 . 1 1 131 131 ALA H H 131 8.070 8.070 8.255 -0.185 25135 748 1 . 1 1 132 132 SER N N 132 113.200 113.200 114.536 -1.336 25135 749 1 . 1 1 132 132 SER HA H 132 4.580 4.580 4.422 0.158 25135 750 1 . 1 1 132 132 SER C C 132 175.700 175.700 175.591 0.109 25135 751 1 . 1 1 132 132 SER CA C 132 58.500 58.500 58.723 -0.223 25135 752 1 . 1 1 132 132 SER CB C 132 63.800 63.800 62.405 1.395 25135 753 1 . 1 1 132 132 SER H H 132 8.340 8.340 7.987 0.353 25135 754 1 . 1 1 133 133 TRP N N 133 122.800 122.800 122.697 0.103 25135 755 1 . 1 1 133 133 TRP HA H 133 4.530 4.530 4.334 0.196 25135 756 1 . 1 1 133 133 TRP C C 133 178.200 178.200 177.887 0.313 25135 757 1 . 1 1 133 133 TRP CA C 133 58.900 58.900 59.530 -0.630 25135 758 1 . 1 1 133 133 TRP CB C 133 29.200 29.200 27.319 1.881 25135 759 1 . 1 1 133 133 TRP H H 133 8.380 8.380 7.203 1.177 25135 760 1 . 1 1 134 134 ALA N N 134 120.600 120.600 120.657 -0.057 25135 761 1 . 1 1 134 134 ALA HA H 134 4.250 4.250 3.921 0.329 25135 762 1 . 1 1 134 134 ALA C C 134 180.700 180.700 179.890 0.810 25135 763 1 . 1 1 134 134 ALA CA C 134 55.700 55.700 55.182 0.518 25135 764 1 . 1 1 134 134 ALA CB C 134 18.000 18.000 17.847 0.153 25135 765 1 . 1 1 134 134 ALA H H 134 8.420 8.420 8.455 -0.035 25135 766 1 . 1 1 135 135 GLN N N 135 118.900 118.900 117.818 1.082 25135 767 1 . 1 1 135 135 GLN HA H 135 4.100 4.100 4.050 0.050 25135 768 1 . 1 1 135 135 GLN C C 135 179.200 179.200 178.724 0.476 25135 769 1 . 1 1 135 135 GLN CA C 135 59.000 59.000 58.942 0.058 25135 770 1 . 1 1 135 135 GLN CB C 135 28.500 28.500 28.418 0.082 25135 771 1 . 1 1 135 135 GLN H H 135 7.860 7.860 7.998 -0.138 25135 772 1 . 1 1 136 136 GLU N N 136 120.900 120.900 119.209 1.691 25135 773 1 . 1 1 136 136 GLU HA H 136 3.820 3.820 4.180 -0.360 25135 774 1 . 1 1 136 136 GLU C C 136 177.800 177.800 178.955 -1.155 25135 775 1 . 1 1 136 136 GLU CA C 136 59.000 59.000 58.978 0.022 25135 776 1 . 1 1 136 136 GLU CB C 136 30.000 30.000 29.584 0.416 25135 777 1 . 1 1 136 136 GLU H H 136 7.720 7.720 7.899 -0.179 25135 778 1 . 1 1 137 137 ASP N N 137 118.200 118.200 120.695 -2.495 25135 779 1 . 1 1 137 137 ASP HA H 137 4.460 4.460 4.415 0.045 25135 780 1 . 1 1 137 137 ASP C C 137 178.100 178.100 178.552 -0.452 25135 781 1 . 1 1 137 137 ASP CA C 137 57.200 57.200 57.726 -0.526 25135 782 1 . 1 1 137 137 ASP CB C 137 40.100 40.100 40.538 -0.438 25135 783 1 . 1 1 137 137 ASP H H 137 8.800 8.800 8.679 0.121 25135 784 1 . 1 1 138 138 GLN N N 138 116.900 116.900 118.549 -1.649 25135 785 1 . 1 1 138 138 GLN HA H 138 3.880 3.880 4.074 -0.194 25135 786 1 . 1 1 138 138 GLN C C 138 178.400 178.400 178.267 0.133 25135 787 1 . 1 1 138 138 GLN CA C 138 58.900 58.900 58.571 0.330 25135 788 1 . 1 1 138 138 GLN CB C 138 28.700 28.700 28.321 0.379 25135 789 1 . 1 1 138 138 GLN H H 138 7.510 7.510 7.872 -0.362 25135 790 1 . 1 1 139 139 GLN N N 139 119.500 119.500 119.492 0.008 25135 791 1 . 1 1 139 139 GLN HA H 139 4.110 4.110 4.042 0.067 25135 792 1 . 1 1 139 139 GLN C C 139 178.900 178.900 178.703 0.197 25135 793 1 . 1 1 139 139 GLN CA C 139 58.900 58.900 58.991 -0.092 25135 794 1 . 1 1 139 139 GLN CB C 139 28.600 28.600 28.534 0.066 25135 795 1 . 1 1 139 139 GLN H H 139 7.520 7.520 7.675 -0.155 25135 796 1 . 1 1 140 140 ASP N N 140 121.700 121.700 118.701 2.999 25135 797 1 . 1 1 140 140 ASP HA H 140 4.020 4.020 4.589 -0.569 25135 798 1 . 1 1 140 140 ASP C C 140 177.700 177.700 177.791 -0.091 25135 799 1 . 1 1 140 140 ASP CA C 140 57.300 57.300 56.468 0.832 25135 800 1 . 1 1 140 140 ASP CB C 140 40.700 40.700 40.857 -0.157 25135 801 1 . 1 1 140 140 ASP H H 140 9.130 9.130 8.224 0.906 25135 802 1 . 1 1 141 141 ALA N N 141 121.000 121.000 124.062 -3.062 25135 803 1 . 1 1 141 141 ALA HA H 141 4.250 4.250 4.123 0.127 25135 804 1 . 1 1 141 141 ALA C C 141 180.800 180.800 178.950 1.850 25135 805 1 . 1 1 141 141 ALA CA C 141 55.400 55.400 55.211 0.189 25135 806 1 . 1 1 141 141 ALA CB C 141 19.500 19.500 18.593 0.907 25135 807 1 . 1 1 141 141 ALA H H 141 8.720 8.720 7.832 0.888 25135 808 1 . 1 1 142 142 ASP N N 142 119.100 119.100 118.040 1.060 25135 809 1 . 1 1 142 142 ASP HA H 142 4.430 4.430 4.332 0.098 25135 810 1 . 1 1 142 142 ASP C C 142 178.600 178.600 178.790 -0.190 25135 811 1 . 1 1 142 142 ASP CA C 142 57.600 57.600 57.757 -0.157 25135 812 1 . 1 1 142 142 ASP CB C 142 41.300 41.300 40.564 0.736 25135 813 1 . 1 1 142 142 ASP H H 142 7.850 7.850 8.622 -0.772 25135 814 1 . 1 1 143 143 GLU N N 143 119.500 119.500 118.282 1.218 25135 815 1 . 1 1 143 143 GLU HA H 143 4.030 4.030 4.166 -0.136 25135 816 1 . 1 1 143 143 GLU C C 143 180.100 180.100 178.607 1.493 25135 817 1 . 1 1 143 143 GLU CA C 143 59.700 59.700 58.814 0.886 25135 818 1 . 1 1 143 143 GLU CB C 143 29.600 29.600 29.727 -0.127 25135 819 1 . 1 1 143 143 GLU H H 143 7.860 7.860 7.677 0.183 25135 820 1 . 1 1 144 144 ASP N N 144 121.000 121.000 121.065 -0.065 25135 821 1 . 1 1 144 144 ASP HA H 144 4.650 4.650 4.375 0.275 25135 822 1 . 1 1 144 144 ASP C C 144 179.500 179.500 178.415 1.085 25135 823 1 . 1 1 144 144 ASP CA C 144 57.500 57.500 57.627 -0.127 25135 824 1 . 1 1 144 144 ASP CB C 144 41.100 41.100 40.738 0.362 25135 825 1 . 1 1 144 144 ASP H H 144 8.840 8.840 8.202 0.638 25135 826 1 . 1 1 145 145 ARG N N 145 121.400 121.400 118.258 3.142 25135 827 1 . 1 1 145 145 ARG HA H 145 4.130 4.130 4.154 -0.024 25135 828 1 . 1 1 145 145 ARG C C 145 178.700 178.700 179.065 -0.365 25135 829 1 . 1 1 145 145 ARG CA C 145 59.500 59.500 59.334 0.166 25135 830 1 . 1 1 145 145 ARG CB C 145 29.600 29.600 29.713 -0.113 25135 831 1 . 1 1 145 145 ARG H H 145 8.510 8.510 8.162 0.348 25135 832 1 . 1 1 146 146 ARG N N 146 119.400 119.400 119.074 0.326 25135 833 1 . 1 1 146 146 ARG HA H 146 4.110 4.110 4.183 -0.073 25135 834 1 . 1 1 146 146 ARG C C 146 178.400 178.400 178.141 0.259 25135 835 1 . 1 1 146 146 ARG CA C 146 59.400 59.400 58.497 0.903 25135 836 1 . 1 1 146 146 ARG CB C 146 30.200 30.200 29.789 0.411 25135 837 1 . 1 1 146 146 ARG H H 146 7.680 7.680 7.815 -0.135 25135 838 1 . 1 1 147 147 ALA N N 147 120.300 120.300 123.279 -2.979 25135 839 1 . 1 1 147 147 ALA HA H 147 4.310 4.310 4.208 0.102 25135 840 1 . 1 1 147 147 ALA C C 147 179.500 179.500 179.260 0.240 25135 841 1 . 1 1 147 147 ALA CA C 147 54.100 54.100 54.881 -0.781 25135 842 1 . 1 1 147 147 ALA CB C 147 19.100 19.100 18.657 0.443 25135 843 1 . 1 1 147 147 ALA H H 147 7.840 7.840 8.018 -0.178 25135 844 1 . 1 1 148 148 PHE N N 148 119.900 119.900 117.418 2.482 25135 845 1 . 1 1 148 148 PHE HA H 148 4.390 4.390 4.511 -0.121 25135 846 1 . 1 1 148 148 PHE C C 148 176.900 176.900 177.230 -0.330 25135 847 1 . 1 1 148 148 PHE CA C 148 60.500 60.500 58.874 1.626 25135 848 1 . 1 1 148 148 PHE CB C 148 39.700 39.700 38.370 1.330 25135 849 1 . 1 1 148 148 PHE H H 148 8.210 8.210 8.274 -0.064 25135 850 1 . 1 1 149 149 GLN N N 149 118.500 118.500 119.099 -0.599 25135 851 1 . 1 1 149 149 GLN HA H 149 4.130 4.130 3.547 0.583 25135 852 1 . 1 1 149 149 GLN C C 149 176.400 176.400 176.880 -0.480 25135 853 1 . 1 1 149 149 GLN CA C 149 56.900 56.900 57.970 -1.070 25135 854 1 . 1 1 149 149 GLN CB C 149 28.900 28.900 28.955 -0.055 25135 855 1 . 1 1 149 149 GLN H H 149 7.960 7.960 7.828 0.132 25135 856 1 . 1 1 150 150 MET N N 150 118.000 118.000 113.501 4.499 25135 857 1 . 1 1 150 150 MET HA H 150 4.360 4.360 4.536 -0.176 25135 858 1 . 1 1 150 150 MET C C 150 176.300 176.300 175.815 0.485 25135 859 1 . 1 1 150 150 MET CA C 150 56.000 56.000 55.690 0.310 25135 860 1 . 1 1 150 150 MET CB C 150 32.800 32.800 34.800 -2.000 25135 861 1 . 1 1 150 150 MET H H 150 7.760 7.760 7.518 0.242 25135 862 1 . 1 1 151 151 LEU N N 151 121.200 121.200 121.814 -0.614 25135 863 1 . 1 1 151 151 LEU HA H 151 4.270 4.270 4.423 -0.153 25135 864 1 . 1 1 151 151 LEU C C 151 177.100 177.100 176.190 0.910 25135 865 1 . 1 1 151 151 LEU CA C 151 55.400 55.400 54.773 0.627 25135 866 1 . 1 1 151 151 LEU CB C 151 42.300 42.300 41.951 0.349 25135 867 1 . 1 1 151 151 LEU H H 151 7.690 7.690 8.099 -0.409 25135 868 1 . 1 1 152 152 ARG N N 152 121.800 121.800 121.732 0.068 25135 869 1 . 1 1 152 152 ARG HA H 152 4.240 4.240 4.305 -0.065 25135 870 1 . 1 1 152 152 ARG C C 152 176.000 176.000 176.196 -0.196 25135 871 1 . 1 1 152 152 ARG CA C 152 56.200 56.200 56.659 -0.459 25135 872 1 . 1 1 152 152 ARG CB C 152 30.900 30.900 30.195 0.705 25135 873 1 . 1 1 152 152 ARG H H 152 8.120 8.120 8.431 -0.311 25135 874 1 . 1 1 153 153 ARG N N 153 123.100 123.100 120.870 2.230 25135 875 1 . 1 1 153 153 ARG HA H 153 4.360 4.360 4.361 -0.001 25135 876 1 . 1 1 153 153 ARG C C 153 174.900 174.900 175.065 -0.165 25135 877 1 . 1 1 153 153 ARG CA C 153 56.000 56.000 56.234 -0.234 25135 878 1 . 1 1 153 153 ARG CB C 153 31.000 31.000 30.088 0.912 25135 879 1 . 1 1 153 153 ARG H H 153 8.380 8.380 8.170 0.210 25135 stop_ save_