data_25800 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25800 _Entry.PDB_ID 2N7C 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 25800 _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 0 0 HIS HA H 0 4.590 4.590 4.274 0.316 25800 2 1 1 . 1 1 0 0 HIS C C 0 174.000 174.000 175.101 -1.101 25800 3 1 1 . 1 1 0 0 HIS CA C 0 55.300 55.300 57.038 -1.738 25800 4 1 1 . 1 1 0 0 HIS CB C 0 29.300 29.300 30.290 -0.990 25800 5 1 1 . 1 1 1 1 MET N N 1 122.400 122.400 121.855 0.545 25800 6 1 1 . 1 1 1 1 MET HA H 1 4.340 4.340 4.153 0.187 25800 7 1 1 . 1 1 1 1 MET C C 1 175.600 175.600 176.227 -0.627 25800 8 1 1 . 1 1 1 1 MET CA C 1 55.600 55.600 55.966 -0.366 25800 9 1 1 . 1 1 1 1 MET CB C 1 32.800 32.800 31.812 0.988 25800 10 1 1 . 1 1 1 1 MET H H 1 8.310 8.310 7.187 1.123 25800 11 1 1 . 1 1 2 2 VAL N N 2 123.200 123.200 129.811 -6.611 25800 12 1 1 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.022 -0.062 25800 13 1 1 . 1 1 2 2 VAL C C 2 175.600 175.600 176.238 -0.638 25800 14 1 1 . 1 1 2 2 VAL CA C 2 62.300 62.300 62.960 -0.660 25800 15 1 1 . 1 1 2 2 VAL CB C 2 32.300 32.300 32.601 -0.301 25800 16 1 1 . 1 1 2 2 VAL H H 2 8.180 8.180 8.563 -0.383 25800 17 1 1 . 1 1 3 3 ILE N N 3 126.200 126.200 119.641 6.559 25800 18 1 1 . 1 1 3 3 ILE HA H 3 4.050 4.050 3.784 0.266 25800 19 1 1 . 1 1 3 3 ILE C C 3 175.800 175.800 175.801 -0.001 25800 20 1 1 . 1 1 3 3 ILE CA C 3 60.700 60.700 61.432 -0.732 25800 21 1 1 . 1 1 3 3 ILE CB C 3 38.300 38.300 36.904 1.396 25800 22 1 1 . 1 1 3 3 ILE H H 3 8.230 8.230 8.197 0.033 25800 23 1 1 . 1 1 4 4 ARG N N 4 126.100 126.100 122.845 3.255 25800 24 1 1 . 1 1 4 4 ARG HA H 4 4.180 4.180 3.883 0.297 25800 25 1 1 . 1 1 4 4 ARG C C 4 175.900 175.900 175.600 0.300 25800 26 1 1 . 1 1 4 4 ARG CA C 4 56.000 56.000 57.266 -1.266 25800 27 1 1 . 1 1 4 4 ARG CB C 4 30.700 30.700 30.341 0.359 25800 28 1 1 . 1 1 4 4 ARG H H 4 8.360 8.360 8.278 0.082 25800 29 1 1 . 1 1 5 5 GLU N N 5 122.200 122.200 118.031 4.169 25800 30 1 1 . 1 1 5 5 GLU HA H 5 4.140 4.140 4.088 0.052 25800 31 1 1 . 1 1 5 5 GLU C C 5 176.100 176.100 175.863 0.237 25800 32 1 1 . 1 1 5 5 GLU CA C 5 56.600 56.600 57.299 -0.699 25800 33 1 1 . 1 1 5 5 GLU CB C 5 30.300 30.300 29.769 0.531 25800 34 1 1 . 1 1 5 5 GLU H H 5 8.400 8.400 8.501 -0.101 25800 35 1 1 . 1 1 6 6 SER N N 6 116.200 116.200 112.539 3.661 25800 36 1 1 . 1 1 6 6 SER HA H 6 4.350 4.350 4.131 0.219 25800 37 1 1 . 1 1 6 6 SER C C 6 174.300 174.300 173.141 1.159 25800 38 1 1 . 1 1 6 6 SER CA C 6 58.200 58.200 58.637 -0.437 25800 39 1 1 . 1 1 6 6 SER CB C 6 63.800 63.800 63.361 0.439 25800 40 1 1 . 1 1 6 6 SER H H 6 8.270 8.270 8.224 0.046 25800 41 1 1 . 1 1 7 7 VAL N N 7 119.800 119.800 120.496 -0.696 25800 42 1 1 . 1 1 7 7 VAL HA H 7 4.300 4.300 4.293 0.007 25800 43 1 1 . 1 1 7 7 VAL C C 7 175.500 175.500 174.620 0.880 25800 44 1 1 . 1 1 7 7 VAL CA C 7 61.700 61.700 61.866 -0.166 25800 45 1 1 . 1 1 7 7 VAL CB C 7 32.800 32.800 34.021 -1.221 25800 46 1 1 . 1 1 7 7 VAL H H 7 7.840 7.840 8.151 -0.311 25800 47 1 1 . 1 1 8 8 SER N N 8 117.800 117.800 121.190 -3.390 25800 48 1 1 . 1 1 8 8 SER HA H 8 4.240 4.240 4.634 -0.394 25800 49 1 1 . 1 1 8 8 SER C C 8 172.500 172.500 173.828 -1.328 25800 50 1 1 . 1 1 8 8 SER CA C 8 58.500 58.500 58.609 -0.109 25800 51 1 1 . 1 1 8 8 SER CB C 8 63.600 63.600 64.154 -0.554 25800 52 1 1 . 1 1 8 8 SER H H 8 8.530 8.530 8.661 -0.131 25800 53 1 1 . 1 1 9 9 ARG N N 9 123.000 123.000 122.790 0.210 25800 54 1 1 . 1 1 9 9 ARG HA H 9 5.500 5.500 5.081 0.419 25800 55 1 1 . 1 1 9 9 ARG C C 9 175.000 175.000 174.862 0.138 25800 56 1 1 . 1 1 9 9 ARG CA C 9 54.300 54.300 54.234 0.065 25800 57 1 1 . 1 1 9 9 ARG CB C 9 33.400 33.400 33.746 -0.346 25800 58 1 1 . 1 1 9 9 ARG H H 9 7.350 7.350 8.100 -0.750 25800 59 1 1 . 1 1 10 10 ILE N N 10 114.000 114.000 119.211 -5.211 25800 60 1 1 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.573 0.247 25800 61 1 1 . 1 1 10 10 ILE C C 10 173.000 173.000 174.702 -1.702 25800 62 1 1 . 1 1 10 10 ILE CA C 10 59.400 59.400 58.742 0.658 25800 63 1 1 . 1 1 10 10 ILE CB C 10 40.900 40.900 39.605 1.295 25800 64 1 1 . 1 1 10 10 ILE H H 10 8.830 8.830 8.572 0.258 25800 65 1 1 . 1 1 11 11 TYR N N 11 123.400 123.400 128.667 -5.267 25800 66 1 1 . 1 1 11 11 TYR HA H 11 4.930 4.930 5.318 -0.388 25800 67 1 1 . 1 1 11 11 TYR C C 11 173.000 173.000 173.260 -0.260 25800 68 1 1 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.510 0.490 25800 69 1 1 . 1 1 11 11 TYR CB C 11 40.900 40.900 41.450 -0.550 25800 70 1 1 . 1 1 11 11 TYR H H 11 8.690 8.690 8.402 0.288 25800 71 1 1 . 1 1 12 12 VAL N N 12 126.300 126.300 127.844 -1.544 25800 72 1 1 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.628 -0.068 25800 73 1 1 . 1 1 12 12 VAL C C 12 174.100 174.100 173.489 0.611 25800 74 1 1 . 1 1 12 12 VAL CA C 12 60.200 60.200 58.978 1.222 25800 75 1 1 . 1 1 12 12 VAL CB C 12 33.400 33.400 35.778 -2.378 25800 76 1 1 . 1 1 12 12 VAL H H 12 8.370 8.370 8.406 -0.036 25800 77 1 1 . 1 1 13 13 GLY N N 13 113.000 113.000 113.254 -0.254 25800 78 1 1 . 1 1 13 13 GLY C C 13 173.100 173.100 173.001 0.099 25800 79 1 1 . 1 1 13 13 GLY CA C 13 43.300 43.300 44.095 -0.795 25800 80 1 1 . 1 1 13 13 GLY H H 13 9.350 9.350 8.812 0.538 25800 81 1 1 . 1 1 14 14 ASN N N 14 113.900 113.900 115.235 -1.335 25800 82 1 1 . 1 1 14 14 ASN HA H 14 4.280 4.280 4.263 0.017 25800 83 1 1 . 1 1 14 14 ASN C C 14 175.800 175.800 175.269 0.531 25800 84 1 1 . 1 1 14 14 ASN CA C 14 53.600 53.600 54.077 -0.477 25800 85 1 1 . 1 1 14 14 ASN CB C 14 37.700 37.700 36.793 0.907 25800 86 1 1 . 1 1 14 14 ASN H H 14 8.800 8.800 8.328 0.472 25800 87 1 1 . 1 1 15 15 LEU N N 15 115.800 115.800 116.849 -1.049 25800 88 1 1 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.542 0.448 25800 89 1 1 . 1 1 15 15 LEU CA C 15 55.600 55.600 53.875 1.725 25800 90 1 1 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.129 0.471 25800 91 1 1 . 1 1 15 15 LEU H H 15 7.150 7.150 7.361 -0.211 25800 92 1 1 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.490 -0.420 25800 93 1 1 . 1 1 16 16 PRO C C 16 171.500 171.500 176.999 -5.499 25800 94 1 1 . 1 1 16 16 PRO CA C 16 62.500 62.500 63.318 -0.818 25800 95 1 1 . 1 1 16 16 PRO CB C 16 32.000 32.000 31.715 0.285 25800 96 1 1 . 1 1 17 17 SER N N 17 115.200 115.200 118.647 -3.447 25800 97 1 1 . 1 1 17 17 SER HA H 17 4.300 4.300 4.111 0.189 25800 98 1 1 . 1 1 17 17 SER C C 17 174.200 174.200 173.462 0.738 25800 99 1 1 . 1 1 17 17 SER CA C 17 58.200 58.200 60.447 -2.247 25800 100 1 1 . 1 1 17 17 SER CB C 17 63.900 63.900 62.456 1.444 25800 101 1 1 . 1 1 17 17 SER H H 17 8.470 8.470 8.719 -0.249 25800 102 1 1 . 1 1 18 18 HIS N N 18 120.800 120.800 118.296 2.504 25800 103 1 1 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.918 -0.368 25800 104 1 1 . 1 1 18 18 HIS C C 18 175.100 175.100 173.807 1.293 25800 105 1 1 . 1 1 18 18 HIS CA C 18 55.500 55.500 54.192 1.308 25800 106 1 1 . 1 1 18 18 HIS CB C 18 29.300 29.300 30.668 -1.368 25800 107 1 1 . 1 1 18 18 HIS H H 18 8.540 8.540 7.944 0.596 25800 108 1 1 . 1 1 19 19 VAL N N 19 115.700 115.700 118.966 -3.266 25800 109 1 1 . 1 1 19 19 VAL HA H 19 4.260 4.260 4.281 -0.021 25800 110 1 1 . 1 1 19 19 VAL C C 19 174.000 174.000 175.270 -1.270 25800 111 1 1 . 1 1 19 19 VAL CA C 19 61.900 61.900 61.712 0.188 25800 112 1 1 . 1 1 19 19 VAL CB C 19 32.600 32.600 32.414 0.186 25800 113 1 1 . 1 1 19 19 VAL H H 19 6.650 6.650 7.926 -1.276 25800 114 1 1 . 1 1 20 20 SER N N 20 118.800 118.800 119.586 -0.786 25800 115 1 1 . 1 1 20 20 SER HA H 20 4.710 4.710 4.779 -0.069 25800 116 1 1 . 1 1 20 20 SER C C 20 175.900 175.900 175.620 0.280 25800 117 1 1 . 1 1 20 20 SER CA C 20 55.800 55.800 57.415 -1.615 25800 118 1 1 . 1 1 20 20 SER CB C 20 66.600 66.600 64.464 2.136 25800 119 1 1 . 1 1 20 20 SER H H 20 8.930 8.930 8.552 0.378 25800 120 1 1 . 1 1 21 21 SER N N 21 117.100 117.100 122.214 -5.114 25800 121 1 1 . 1 1 21 21 SER HA H 21 3.880 3.880 4.149 -0.269 25800 122 1 1 . 1 1 21 21 SER C C 21 176.200 176.200 176.405 -0.205 25800 123 1 1 . 1 1 21 21 SER CA C 21 62.300 62.300 61.390 0.910 25800 124 1 1 . 1 1 21 21 SER CB C 21 66.800 66.800 62.940 3.860 25800 125 1 1 . 1 1 21 21 SER H H 21 9.080 9.080 9.147 -0.067 25800 126 1 1 . 1 1 22 22 ARG N N 22 121.200 121.200 120.477 0.723 25800 127 1 1 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.172 -0.182 25800 128 1 1 . 1 1 22 22 ARG C C 22 177.900 177.900 178.489 -0.589 25800 129 1 1 . 1 1 22 22 ARG CA C 22 58.700 58.700 59.047 -0.347 25800 130 1 1 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.744 -0.144 25800 131 1 1 . 1 1 22 22 ARG H H 22 7.940 7.940 8.475 -0.535 25800 132 1 1 . 1 1 23 23 ASP N N 23 118.800 118.800 120.088 -1.288 25800 133 1 1 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.521 -0.132 25800 134 1 1 . 1 1 23 23 ASP C C 23 179.200 179.200 178.430 0.770 25800 135 1 1 . 1 1 23 23 ASP CA C 23 57.300 57.300 56.872 0.428 25800 136 1 1 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.503 0.497 25800 137 1 1 . 1 1 23 23 ASP H H 23 7.480 7.480 7.812 -0.332 25800 138 1 1 . 1 1 24 24 VAL N N 24 119.500 119.500 118.630 0.870 25800 139 1 1 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.792 -0.422 25800 140 1 1 . 1 1 24 24 VAL C C 24 177.500 177.500 177.770 -0.270 25800 141 1 1 . 1 1 24 24 VAL CA C 24 66.900 66.900 65.657 1.243 25800 142 1 1 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.412 -0.012 25800 143 1 1 . 1 1 24 24 VAL H H 24 7.450 7.450 7.489 -0.039 25800 144 1 1 . 1 1 25 25 GLU N N 25 121.400 121.400 121.710 -0.310 25800 145 1 1 . 1 1 25 25 GLU HA H 25 3.570 3.570 3.911 -0.341 25800 146 1 1 . 1 1 25 25 GLU C C 25 178.400 178.400 178.228 0.172 25800 147 1 1 . 1 1 25 25 GLU CA C 25 60.600 60.600 60.245 0.355 25800 148 1 1 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.321 0.279 25800 149 1 1 . 1 1 25 25 GLU H H 25 8.580 8.580 8.244 0.336 25800 150 1 1 . 1 1 26 26 ASN N N 26 114.800 114.800 116.477 -1.677 25800 151 1 1 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.540 -0.220 25800 152 1 1 . 1 1 26 26 ASN C C 26 177.400 177.400 176.847 0.553 25800 153 1 1 . 1 1 26 26 ASN CA C 26 55.900 55.900 55.340 0.560 25800 154 1 1 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.704 -0.804 25800 155 1 1 . 1 1 26 26 ASN H H 26 8.180 8.180 7.750 0.431 25800 156 1 1 . 1 1 27 27 GLU N N 27 118.900 118.900 120.002 -1.102 25800 157 1 1 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.179 -0.039 25800 158 1 1 . 1 1 27 27 GLU C C 27 176.400 176.400 178.728 -2.328 25800 159 1 1 . 1 1 27 27 GLU CA C 27 57.400 57.400 58.696 -1.296 25800 160 1 1 . 1 1 27 27 GLU CB C 27 29.400 29.400 30.065 -0.665 25800 161 1 1 . 1 1 27 27 GLU H H 27 7.340 7.340 7.569 -0.229 25800 162 1 1 . 1 1 28 28 PHE N N 28 114.100 114.100 119.746 -5.646 25800 163 1 1 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.636 -0.086 25800 164 1 1 . 1 1 28 28 PHE C C 28 176.300 176.300 178.007 -1.707 25800 165 1 1 . 1 1 28 28 PHE CA C 28 60.000 60.000 61.181 -1.181 25800 166 1 1 . 1 1 28 28 PHE CB C 28 40.800 40.800 38.970 1.830 25800 167 1 1 . 1 1 28 28 PHE H H 28 7.660 7.660 8.493 -0.833 25800 168 1 1 . 1 1 29 29 ARG N N 29 121.700 121.700 119.387 2.313 25800 169 1 1 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.296 0.114 25800 170 1 1 . 1 1 29 29 ARG C C 29 177.100 177.100 178.577 -1.477 25800 171 1 1 . 1 1 29 29 ARG CA C 29 58.200 58.200 58.959 -0.759 25800 172 1 1 . 1 1 29 29 ARG CB C 29 29.300 29.300 29.653 -0.353 25800 173 1 1 . 1 1 29 29 ARG H H 29 8.120 8.120 8.389 -0.269 25800 174 1 1 . 1 1 30 30 LYS N N 30 117.200 117.200 121.377 -4.177 25800 175 1 1 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.169 -0.339 25800 176 1 1 . 1 1 30 30 LYS C C 30 177.100 177.100 177.800 -0.700 25800 177 1 1 . 1 1 30 30 LYS CA C 30 57.800 57.800 58.400 -0.600 25800 178 1 1 . 1 1 30 30 LYS CB C 30 31.100 31.100 31.588 -0.488 25800 179 1 1 . 1 1 30 30 LYS H H 30 7.630 7.630 7.740 -0.110 25800 180 1 1 . 1 1 31 31 TYR N N 31 117.100 117.100 118.109 -1.009 25800 181 1 1 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.549 -0.399 25800 182 1 1 . 1 1 31 31 TYR C C 31 174.400 174.400 175.938 -1.538 25800 183 1 1 . 1 1 31 31 TYR CA C 31 59.900 59.900 58.598 1.302 25800 184 1 1 . 1 1 31 31 TYR CB C 31 37.900 37.900 38.969 -1.069 25800 185 1 1 . 1 1 31 31 TYR H H 31 7.410 7.410 8.041 -0.631 25800 186 1 1 . 1 1 32 32 GLY N N 32 104.100 104.100 106.873 -2.773 25800 187 1 1 . 1 1 32 32 GLY C C 32 177.000 177.000 172.031 4.969 25800 188 1 1 . 1 1 32 32 GLY CA C 32 44.500 44.500 44.511 -0.012 25800 189 1 1 . 1 1 32 32 GLY H H 32 7.240 7.240 7.531 -0.291 25800 190 1 1 . 1 1 33 33 ASN N N 33 115.300 115.300 117.862 -2.562 25800 191 1 1 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.699 -0.259 25800 192 1 1 . 1 1 33 33 ASN C C 33 175.500 175.500 174.523 0.977 25800 193 1 1 . 1 1 33 33 ASN CA C 33 54.300 54.300 53.538 0.762 25800 194 1 1 . 1 1 33 33 ASN CB C 33 38.400 38.400 39.362 -0.962 25800 195 1 1 . 1 1 33 33 ASN H H 33 8.460 8.460 8.469 -0.009 25800 196 1 1 . 1 1 34 34 ILE N N 34 126.700 126.700 123.009 3.691 25800 197 1 1 . 1 1 34 34 ILE HA H 34 3.790 3.790 4.227 -0.437 25800 198 1 1 . 1 1 34 34 ILE C C 34 175.600 175.600 175.146 0.454 25800 199 1 1 . 1 1 34 34 ILE CA C 34 61.300 61.300 59.978 1.322 25800 200 1 1 . 1 1 34 34 ILE CB C 34 40.000 40.000 38.774 1.226 25800 201 1 1 . 1 1 34 34 ILE H H 34 8.050 8.050 8.302 -0.252 25800 202 1 1 . 1 1 35 35 LEU N N 35 127.400 127.400 127.574 -0.174 25800 203 1 1 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.288 -0.128 25800 204 1 1 . 1 1 35 35 LEU C C 35 177.200 177.200 176.164 1.036 25800 205 1 1 . 1 1 35 35 LEU CA C 35 55.500 55.500 55.585 -0.085 25800 206 1 1 . 1 1 35 35 LEU CB C 35 42.700 42.700 42.178 0.522 25800 207 1 1 . 1 1 35 35 LEU H H 35 8.780 8.780 8.345 0.435 25800 208 1 1 . 1 1 36 36 LYS N N 36 117.000 117.000 116.289 0.711 25800 209 1 1 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.607 -0.367 25800 210 1 1 . 1 1 36 36 LYS C C 36 173.600 173.600 174.320 -0.720 25800 211 1 1 . 1 1 36 36 LYS CA C 36 55.900 55.900 55.527 0.373 25800 212 1 1 . 1 1 36 36 LYS CB C 36 36.600 36.600 36.266 0.334 25800 213 1 1 . 1 1 36 36 LYS H H 36 7.110 7.110 7.590 -0.480 25800 214 1 1 . 1 1 37 37 CYS N N 37 125.400 125.400 118.417 6.983 25800 215 1 1 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.674 -0.974 25800 216 1 1 . 1 1 37 37 CYS C C 37 171.600 171.600 173.031 -1.431 25800 217 1 1 . 1 1 37 37 CYS CA C 37 57.900 57.900 56.367 1.532 25800 218 1 1 . 1 1 37 37 CYS CB C 37 27.100 27.100 31.415 -4.315 25800 219 1 1 . 1 1 37 37 CYS H H 37 8.610 8.610 8.458 0.152 25800 220 1 1 . 1 1 38 38 ASP N N 38 128.200 128.200 120.550 7.650 25800 221 1 1 . 1 1 38 38 ASP HA H 38 4.950 4.950 5.022 -0.072 25800 222 1 1 . 1 1 38 38 ASP C C 38 174.300 174.300 173.865 0.435 25800 223 1 1 . 1 1 38 38 ASP CA C 38 53.200 53.200 53.691 -0.491 25800 224 1 1 . 1 1 38 38 ASP CB C 38 44.300 44.300 45.273 -0.973 25800 225 1 1 . 1 1 38 38 ASP H H 38 8.290 8.290 8.872 -0.582 25800 226 1 1 . 1 1 39 39 VAL N N 39 123.500 123.500 115.299 8.201 25800 227 1 1 . 1 1 39 39 VAL HA H 39 4.300 4.300 5.331 -1.031 25800 228 1 1 . 1 1 39 39 VAL C C 39 175.000 175.000 174.699 0.301 25800 229 1 1 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.397 1.303 25800 230 1 1 . 1 1 39 39 VAL CB C 39 33.100 33.100 35.918 -2.818 25800 231 1 1 . 1 1 39 39 VAL H H 39 8.380 8.380 8.409 -0.029 25800 232 1 1 . 1 1 40 40 LYS N N 40 129.100 129.100 121.829 7.271 25800 233 1 1 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.917 -0.597 25800 234 1 1 . 1 1 40 40 LYS C C 40 173.700 173.700 174.612 -0.912 25800 235 1 1 . 1 1 40 40 LYS CA C 40 53.900 53.900 54.617 -0.717 25800 236 1 1 . 1 1 40 40 LYS CB C 40 35.500 35.500 37.194 -1.694 25800 237 1 1 . 1 1 40 40 LYS H H 40 8.680 8.680 9.256 -0.576 25800 238 1 1 . 1 1 41 41 LYS N N 41 117.300 117.300 120.107 -2.807 25800 239 1 1 . 1 1 41 41 LYS HA H 41 4.980 4.980 4.863 0.117 25800 240 1 1 . 1 1 41 41 LYS C C 41 177.800 177.800 175.266 2.534 25800 241 1 1 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.661 -0.061 25800 242 1 1 . 1 1 41 41 LYS CB C 41 35.000 35.000 35.287 -0.287 25800 243 1 1 . 1 1 41 41 LYS H H 41 7.900 7.900 8.511 -0.611 25800 244 1 1 . 1 1 42 42 THR N N 42 113.200 113.200 114.752 -1.552 25800 245 1 1 . 1 1 42 42 THR HA H 42 4.680 4.680 4.807 -0.127 25800 246 1 1 . 1 1 42 42 THR C C 42 176.900 176.900 176.350 0.550 25800 247 1 1 . 1 1 42 42 THR CA C 42 60.200 60.200 60.048 0.152 25800 248 1 1 . 1 1 42 42 THR CB C 42 71.600 71.600 70.057 1.543 25800 249 1 1 . 1 1 42 42 THR H H 42 8.730 8.730 8.227 0.503 25800 250 1 1 . 1 1 43 43 VAL N N 43 120.000 120.000 124.623 -4.623 25800 251 1 1 . 1 1 43 43 VAL HA H 43 3.920 3.920 4.034 -0.114 25800 252 1 1 . 1 1 43 43 VAL C C 43 177.000 177.000 176.512 0.488 25800 253 1 1 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.380 0.320 25800 254 1 1 . 1 1 43 43 VAL CB C 43 31.800 31.800 31.736 0.064 25800 255 1 1 . 1 1 43 43 VAL H H 43 8.730 8.730 8.546 0.184 25800 256 1 1 . 1 1 44 44 SER N N 44 113.400 113.400 114.825 -1.425 25800 257 1 1 . 1 1 44 44 SER HA H 44 4.360 4.360 4.302 0.058 25800 258 1 1 . 1 1 44 44 SER C C 44 174.800 174.800 175.337 -0.537 25800 259 1 1 . 1 1 44 44 SER CA C 44 58.400 58.400 58.984 -0.584 25800 260 1 1 . 1 1 44 44 SER CB C 44 63.500 63.500 63.352 0.148 25800 261 1 1 . 1 1 44 44 SER H H 44 7.760 7.760 7.934 -0.174 25800 262 1 1 . 1 1 45 45 GLY N N 45 110.200 110.200 107.946 2.254 25800 263 1 1 . 1 1 45 45 GLY C C 45 173.500 173.500 173.921 -0.421 25800 264 1 1 . 1 1 45 45 GLY CA C 45 45.300 45.300 44.672 0.628 25800 265 1 1 . 1 1 45 45 GLY H H 45 7.820 7.820 7.606 0.214 25800 266 1 1 . 1 1 46 46 ALA N N 46 123.900 123.900 122.107 1.793 25800 267 1 1 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.312 0.078 25800 268 1 1 . 1 1 46 46 ALA C C 46 176.100 176.100 175.369 0.731 25800 269 1 1 . 1 1 46 46 ALA CA C 46 51.900 51.900 51.720 0.180 25800 270 1 1 . 1 1 46 46 ALA CB C 46 19.800 19.800 20.277 -0.477 25800 271 1 1 . 1 1 46 46 ALA H H 46 7.440 7.440 7.790 -0.350 25800 272 1 1 . 1 1 47 47 ALA N N 47 123.100 123.100 121.632 1.468 25800 273 1 1 . 1 1 47 47 ALA HA H 47 5.200 5.200 4.752 0.448 25800 274 1 1 . 1 1 47 47 ALA C C 47 176.100 176.100 175.324 0.776 25800 275 1 1 . 1 1 47 47 ALA CA C 47 50.900 50.900 50.216 0.684 25800 276 1 1 . 1 1 47 47 ALA CB C 47 21.900 21.900 22.342 -0.442 25800 277 1 1 . 1 1 47 47 ALA H H 47 8.350 8.350 8.066 0.284 25800 278 1 1 . 1 1 48 48 PHE N N 48 118.700 118.700 117.144 1.556 25800 279 1 1 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.552 -0.522 25800 280 1 1 . 1 1 48 48 PHE C C 48 171.600 171.600 174.145 -2.545 25800 281 1 1 . 1 1 48 48 PHE CA C 48 55.700 55.700 55.986 -0.286 25800 282 1 1 . 1 1 48 48 PHE CB C 48 41.200 41.200 43.856 -2.656 25800 283 1 1 . 1 1 48 48 PHE H H 48 8.550 8.550 8.737 -0.187 25800 284 1 1 . 1 1 49 49 ALA N N 49 120.400 120.400 121.476 -1.076 25800 285 1 1 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.381 -0.051 25800 286 1 1 . 1 1 49 49 ALA C C 49 175.500 175.500 174.674 0.826 25800 287 1 1 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.842 -1.542 25800 288 1 1 . 1 1 49 49 ALA CB C 49 23.700 23.700 22.880 0.821 25800 289 1 1 . 1 1 49 49 ALA H H 49 9.240 9.240 9.038 0.202 25800 290 1 1 . 1 1 50 50 PHE N N 50 115.000 115.000 118.274 -3.274 25800 291 1 1 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.755 -0.155 25800 292 1 1 . 1 1 50 50 PHE C C 50 176.000 176.000 174.352 1.648 25800 293 1 1 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.485 0.015 25800 294 1 1 . 1 1 50 50 PHE CB C 50 42.200 42.200 43.166 -0.966 25800 295 1 1 . 1 1 50 50 PHE H H 50 7.920 7.920 9.079 -1.159 25800 296 1 1 . 1 1 51 51 ILE N N 51 123.000 123.000 121.909 1.091 25800 297 1 1 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.420 0.030 25800 298 1 1 . 1 1 51 51 ILE C C 51 173.700 173.700 174.334 -0.634 25800 299 1 1 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.585 -0.385 25800 300 1 1 . 1 1 51 51 ILE CB C 51 40.700 40.700 40.824 -0.124 25800 301 1 1 . 1 1 51 51 ILE H H 51 8.490 8.490 8.971 -0.481 25800 302 1 1 . 1 1 52 52 GLU N N 52 126.600 126.600 126.592 0.008 25800 303 1 1 . 1 1 52 52 GLU HA H 52 4.770 4.770 4.608 0.162 25800 304 1 1 . 1 1 52 52 GLU C C 52 175.300 175.300 175.155 0.145 25800 305 1 1 . 1 1 52 52 GLU CA C 52 54.700 54.700 56.227 -1.527 25800 306 1 1 . 1 1 52 52 GLU CB C 52 31.500 31.500 32.191 -0.691 25800 307 1 1 . 1 1 52 52 GLU H H 52 8.610 8.610 8.778 -0.168 25800 308 1 1 . 1 1 53 53 PHE N N 53 126.100 126.100 120.857 5.243 25800 309 1 1 . 1 1 53 53 PHE HA H 53 4.800 4.800 5.055 -0.255 25800 310 1 1 . 1 1 53 53 PHE C C 53 175.400 175.400 175.476 -0.076 25800 311 1 1 . 1 1 53 53 PHE CA C 53 58.200 58.200 56.973 1.227 25800 312 1 1 . 1 1 53 53 PHE CB C 53 40.900 40.900 43.150 -2.250 25800 313 1 1 . 1 1 53 53 PHE H H 53 8.800 8.800 8.897 -0.097 25800 314 1 1 . 1 1 54 54 GLU N N 54 120.700 120.700 121.136 -0.436 25800 315 1 1 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.185 -0.255 25800 316 1 1 . 1 1 54 54 GLU C C 54 175.300 175.300 176.240 -0.940 25800 317 1 1 . 1 1 54 54 GLU CA C 54 59.100 59.100 58.223 0.877 25800 318 1 1 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.224 0.576 25800 319 1 1 . 1 1 54 54 GLU H H 54 8.160 8.160 8.631 -0.471 25800 320 1 1 . 1 1 55 55 ASP N N 55 117.900 117.900 116.329 1.571 25800 321 1 1 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.824 0.096 25800 322 1 1 . 1 1 55 55 ASP C C 55 176.400 176.400 175.374 1.026 25800 323 1 1 . 1 1 55 55 ASP CA C 55 52.400 52.400 53.291 -0.891 25800 324 1 1 . 1 1 55 55 ASP CB C 55 44.400 44.400 43.780 0.620 25800 325 1 1 . 1 1 55 55 ASP H H 55 8.740 8.740 7.780 0.960 25800 326 1 1 . 1 1 56 56 ALA N N 56 128.900 128.900 126.345 2.555 25800 327 1 1 . 1 1 56 56 ALA HA H 56 3.830 3.830 4.164 -0.334 25800 328 1 1 . 1 1 56 56 ALA C C 56 179.800 179.800 178.931 0.869 25800 329 1 1 . 1 1 56 56 ALA CA C 56 55.200 55.200 54.821 0.379 25800 330 1 1 . 1 1 56 56 ALA CB C 56 18.900 18.900 19.384 -0.484 25800 331 1 1 . 1 1 56 56 ALA H H 56 8.800 8.800 8.582 0.218 25800 332 1 1 . 1 1 57 57 ARG N N 57 119.200 119.200 117.114 2.086 25800 333 1 1 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.080 -0.190 25800 334 1 1 . 1 1 57 57 ARG C C 57 178.000 178.000 178.094 -0.094 25800 335 1 1 . 1 1 57 57 ARG CA C 57 58.900 58.900 58.853 0.047 25800 336 1 1 . 1 1 57 57 ARG CB C 57 29.300 29.300 29.637 -0.338 25800 337 1 1 . 1 1 57 57 ARG H H 57 8.950 8.950 8.472 0.478 25800 338 1 1 . 1 1 58 58 ASP N N 58 120.900 120.900 117.826 3.074 25800 339 1 1 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.513 -0.423 25800 340 1 1 . 1 1 58 58 ASP C C 58 176.700 176.700 177.810 -1.110 25800 341 1 1 . 1 1 58 58 ASP CA C 58 56.500 56.500 56.519 -0.019 25800 342 1 1 . 1 1 58 58 ASP CB C 58 39.900 39.900 40.613 -0.713 25800 343 1 1 . 1 1 58 58 ASP H H 58 7.020 7.020 8.214 -1.194 25800 344 1 1 . 1 1 59 59 ALA N N 59 119.700 119.700 122.283 -2.583 25800 345 1 1 . 1 1 59 59 ALA HA H 59 3.080 3.080 3.454 -0.374 25800 346 1 1 . 1 1 59 59 ALA C C 59 178.100 178.100 178.544 -0.444 25800 347 1 1 . 1 1 59 59 ALA CA C 59 54.300 54.300 54.158 0.142 25800 348 1 1 . 1 1 59 59 ALA CB C 59 18.400 18.400 17.773 0.626 25800 349 1 1 . 1 1 59 59 ALA H H 59 6.440 6.440 7.242 -0.802 25800 350 1 1 . 1 1 60 60 ALA N N 60 117.600 117.600 120.151 -2.551 25800 351 1 1 . 1 1 60 60 ALA HA H 60 3.830 3.830 3.847 -0.017 25800 352 1 1 . 1 1 60 60 ALA C C 60 180.900 180.900 178.681 2.219 25800 353 1 1 . 1 1 60 60 ALA CA C 60 54.900 54.900 54.817 0.083 25800 354 1 1 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.272 -0.572 25800 355 1 1 . 1 1 60 60 ALA H H 60 7.330 7.330 7.796 -0.466 25800 356 1 1 . 1 1 61 61 ASP N N 61 120.100 120.100 118.451 1.649 25800 357 1 1 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.414 -0.204 25800 358 1 1 . 1 1 61 61 ASP C C 61 176.700 176.700 178.059 -1.359 25800 359 1 1 . 1 1 61 61 ASP CA C 61 57.100 57.100 57.007 0.093 25800 360 1 1 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.480 -0.380 25800 361 1 1 . 1 1 61 61 ASP H H 61 7.590 7.590 7.776 -0.186 25800 362 1 1 . 1 1 62 62 ALA N N 62 122.200 122.200 122.854 -0.654 25800 363 1 1 . 1 1 62 62 ALA HA H 62 2.420 2.420 3.873 -1.453 25800 364 1 1 . 1 1 62 62 ALA C C 62 179.300 179.300 178.986 0.314 25800 365 1 1 . 1 1 62 62 ALA CA C 62 54.600 54.600 54.281 0.319 25800 366 1 1 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.361 0.739 25800 367 1 1 . 1 1 62 62 ALA H H 62 7.440 7.440 7.157 0.283 25800 368 1 1 . 1 1 63 63 ILE N N 63 116.700 116.700 118.649 -1.949 25800 369 1 1 . 1 1 63 63 ILE HA H 63 3.240 3.240 3.739 -0.499 25800 370 1 1 . 1 1 63 63 ILE C C 63 177.800 177.800 177.008 0.792 25800 371 1 1 . 1 1 63 63 ILE CA C 63 65.600 65.600 63.886 1.714 25800 372 1 1 . 1 1 63 63 ILE CB C 63 38.900 38.900 37.791 1.109 25800 373 1 1 . 1 1 63 63 ILE H H 63 7.540 7.540 7.560 -0.020 25800 374 1 1 . 1 1 64 64 LYS N N 64 117.400 117.400 115.947 1.453 25800 375 1 1 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.154 -0.254 25800 376 1 1 . 1 1 64 64 LYS C C 64 178.900 178.900 178.536 0.364 25800 377 1 1 . 1 1 64 64 LYS CA C 64 58.800 58.800 58.146 0.654 25800 378 1 1 . 1 1 64 64 LYS CB C 64 32.600 32.600 32.253 0.347 25800 379 1 1 . 1 1 64 64 LYS H H 64 7.490 7.490 8.050 -0.560 25800 380 1 1 . 1 1 65 65 GLU N N 65 113.800 113.800 119.326 -5.526 25800 381 1 1 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.317 -0.157 25800 382 1 1 . 1 1 65 65 GLU C C 65 178.300 178.300 178.125 0.175 25800 383 1 1 . 1 1 65 65 GLU CA C 65 58.300 58.300 58.249 0.051 25800 384 1 1 . 1 1 65 65 GLU CB C 65 30.700 30.700 29.485 1.216 25800 385 1 1 . 1 1 65 65 GLU H H 65 7.960 7.960 7.696 0.264 25800 386 1 1 . 1 1 66 66 LYS N N 66 114.700 114.700 118.778 -4.078 25800 387 1 1 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.321 0.149 25800 388 1 1 . 1 1 66 66 LYS C C 66 177.500 177.500 176.239 1.261 25800 389 1 1 . 1 1 66 66 LYS CA C 66 54.400 54.400 55.925 -1.525 25800 390 1 1 . 1 1 66 66 LYS CB C 66 33.000 33.000 31.825 1.175 25800 391 1 1 . 1 1 66 66 LYS H H 66 8.050 8.050 8.130 -0.080 25800 392 1 1 . 1 1 67 67 ASP N N 67 118.800 118.800 118.863 -0.063 25800 393 1 1 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.474 -0.254 25800 394 1 1 . 1 1 67 67 ASP C C 67 177.700 177.700 177.628 0.072 25800 395 1 1 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.286 4.114 25800 396 1 1 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.079 0.321 25800 397 1 1 . 1 1 67 67 ASP H H 67 7.620 7.620 7.358 0.262 25800 398 1 1 . 1 1 68 68 GLY N N 68 115.600 115.600 108.372 7.228 25800 399 1 1 . 1 1 68 68 GLY C C 68 173.800 173.800 175.066 -1.266 25800 400 1 1 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.773 1.127 25800 401 1 1 . 1 1 68 68 GLY H H 68 8.470 8.470 8.605 -0.135 25800 402 1 1 . 1 1 69 69 CYS N N 69 119.200 119.200 119.131 0.069 25800 403 1 1 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.722 -0.562 25800 404 1 1 . 1 1 69 69 CYS C C 69 172.600 172.600 174.103 -1.503 25800 405 1 1 . 1 1 69 69 CYS CA C 69 58.000 58.000 57.471 0.529 25800 406 1 1 . 1 1 69 69 CYS CB C 69 28.700 28.700 29.808 -1.108 25800 407 1 1 . 1 1 69 69 CYS H H 69 7.890 7.890 8.311 -0.421 25800 408 1 1 . 1 1 70 70 ASP N N 70 122.200 122.200 121.733 0.467 25800 409 1 1 . 1 1 70 70 ASP HA H 70 4.830 4.830 4.430 0.400 25800 410 1 1 . 1 1 70 70 ASP C C 70 176.400 176.400 174.385 2.015 25800 411 1 1 . 1 1 70 70 ASP CA C 70 54.700 54.700 53.237 1.463 25800 412 1 1 . 1 1 70 70 ASP CB C 70 42.700 42.700 44.552 -1.852 25800 413 1 1 . 1 1 70 70 ASP H H 70 8.360 8.360 8.853 -0.493 25800 414 1 1 . 1 1 71 71 PHE N N 71 127.600 127.600 118.493 9.107 25800 415 1 1 . 1 1 71 71 PHE HA H 71 4.600 4.600 5.006 -0.406 25800 416 1 1 . 1 1 71 71 PHE C C 71 173.600 173.600 175.231 -1.631 25800 417 1 1 . 1 1 71 71 PHE CA C 71 56.800 56.800 57.243 -0.443 25800 418 1 1 . 1 1 71 71 PHE CB C 71 40.700 40.700 40.539 0.161 25800 419 1 1 . 1 1 71 71 PHE H H 71 9.390 9.390 7.589 1.801 25800 420 1 1 . 1 1 72 72 GLU N N 72 123.900 123.900 118.832 5.068 25800 421 1 1 . 1 1 72 72 GLU HA H 72 3.540 3.540 4.200 -0.660 25800 422 1 1 . 1 1 72 72 GLU C C 72 175.500 175.500 175.986 -0.486 25800 423 1 1 . 1 1 72 72 GLU CA C 72 56.700 56.700 56.852 -0.152 25800 424 1 1 . 1 1 72 72 GLU CB C 72 27.300 27.300 29.014 -1.714 25800 425 1 1 . 1 1 72 72 GLU H H 72 8.940 8.940 9.265 -0.325 25800 426 1 1 . 1 1 73 73 GLY N N 73 105.200 105.200 105.004 0.196 25800 427 1 1 . 1 1 73 73 GLY C C 73 174.100 174.100 173.332 0.768 25800 428 1 1 . 1 1 73 73 GLY CA C 73 45.600 45.600 45.110 0.490 25800 429 1 1 . 1 1 73 73 GLY H H 73 8.350 8.350 8.146 0.204 25800 430 1 1 . 1 1 74 74 ASN N N 74 121.000 121.000 117.692 3.308 25800 431 1 1 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.923 -0.163 25800 432 1 1 . 1 1 74 74 ASN C C 74 174.000 174.000 173.037 0.963 25800 433 1 1 . 1 1 74 74 ASN CA C 74 50.900 50.900 52.514 -1.614 25800 434 1 1 . 1 1 74 74 ASN CB C 74 39.700 39.700 40.571 -0.871 25800 435 1 1 . 1 1 74 74 ASN H H 74 7.740 7.740 7.778 -0.038 25800 436 1 1 . 1 1 75 75 LYS N N 75 121.400 121.400 122.732 -1.332 25800 437 1 1 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.589 -0.119 25800 438 1 1 . 1 1 75 75 LYS C C 75 176.900 176.900 174.853 2.047 25800 439 1 1 . 1 1 75 75 LYS CA C 75 55.300 55.300 55.415 -0.115 25800 440 1 1 . 1 1 75 75 LYS CB C 75 31.900 31.900 32.071 -0.171 25800 441 1 1 . 1 1 75 75 LYS H H 75 8.380 8.380 8.464 -0.084 25800 442 1 1 . 1 1 76 76 LEU N N 76 127.400 127.400 123.475 3.925 25800 443 1 1 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.706 -0.276 25800 444 1 1 . 1 1 76 76 LEU C C 76 177.600 177.600 173.986 3.614 25800 445 1 1 . 1 1 76 76 LEU CA C 76 55.300 55.300 54.824 0.476 25800 446 1 1 . 1 1 76 76 LEU CB C 76 43.100 43.100 46.751 -3.651 25800 447 1 1 . 1 1 76 76 LEU H H 76 8.950 8.950 7.867 1.083 25800 448 1 1 . 1 1 77 77 ARG N N 77 121.800 121.800 123.489 -1.689 25800 449 1 1 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.766 0.134 25800 450 1 1 . 1 1 77 77 ARG C C 77 174.700 174.700 173.320 1.380 25800 451 1 1 . 1 1 77 77 ARG CA C 77 54.000 54.000 56.078 -2.079 25800 452 1 1 . 1 1 77 77 ARG CB C 77 32.300 32.300 34.891 -2.591 25800 453 1 1 . 1 1 77 77 ARG H H 77 7.530 7.530 8.780 -1.250 25800 454 1 1 . 1 1 78 78 VAL N N 78 127.000 127.000 124.789 2.211 25800 455 1 1 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.732 0.548 25800 456 1 1 . 1 1 78 78 VAL C C 78 174.200 174.200 174.068 0.132 25800 457 1 1 . 1 1 78 78 VAL CA C 78 61.200 61.200 61.237 -0.037 25800 458 1 1 . 1 1 78 78 VAL CB C 78 33.400 33.400 34.982 -1.582 25800 459 1 1 . 1 1 78 78 VAL H H 78 9.660 9.660 8.491 1.169 25800 460 1 1 . 1 1 79 79 GLU N N 79 121.900 121.900 126.009 -4.109 25800 461 1 1 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.754 -0.044 25800 462 1 1 . 1 1 79 79 GLU C C 79 174.600 174.600 173.797 0.803 25800 463 1 1 . 1 1 79 79 GLU CA C 79 53.900 53.900 55.470 -1.570 25800 464 1 1 . 1 1 79 79 GLU CB C 79 34.400 34.400 34.593 -0.193 25800 465 1 1 . 1 1 79 79 GLU H H 79 8.980 8.980 8.693 0.287 25800 466 1 1 . 1 1 80 80 VAL N N 80 121.300 121.300 123.222 -1.922 25800 467 1 1 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.721 -0.351 25800 468 1 1 . 1 1 80 80 VAL CA C 80 61.000 61.000 58.207 2.793 25800 469 1 1 . 1 1 80 80 VAL CB C 80 32.100 32.100 33.941 -1.841 25800 470 1 1 . 1 1 80 80 VAL H H 80 8.410 8.410 8.562 -0.152 25800 471 1 1 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.203 0.057 25800 472 1 1 . 1 1 81 81 PRO C C 81 176.100 176.100 176.965 -0.865 25800 473 1 1 . 1 1 81 81 PRO CA C 81 63.100 63.100 64.089 -0.989 25800 474 1 1 . 1 1 81 81 PRO CB C 81 32.100 32.100 31.450 0.650 25800 475 1 1 . 1 1 82 82 PHE N N 82 122.200 122.200 117.205 4.995 25800 476 1 1 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.676 -0.386 25800 477 1 1 . 1 1 82 82 PHE C C 82 175.300 175.300 174.847 0.453 25800 478 1 1 . 1 1 82 82 PHE CA C 82 58.100 58.100 53.942 4.158 25800 479 1 1 . 1 1 82 82 PHE CB C 82 39.400 39.400 36.748 2.651 25800 480 1 1 . 1 1 82 82 PHE H H 82 8.150 8.150 6.693 1.457 25800 481 1 1 . 1 1 83 83 ASN N N 83 120.800 120.800 122.556 -1.756 25800 482 1 1 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.693 -0.253 25800 483 1 1 . 1 1 83 83 ASN C C 83 174.100 174.100 174.506 -0.406 25800 484 1 1 . 1 1 83 83 ASN CA C 83 52.700 52.700 51.935 0.764 25800 485 1 1 . 1 1 83 83 ASN CB C 83 38.700 38.700 37.601 1.099 25800 486 1 1 . 1 1 83 83 ASN H H 83 8.110 8.110 7.947 0.163 25800 487 1 1 . 1 1 84 84 ALA N N 84 123.700 123.700 123.995 -0.295 25800 488 1 1 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.326 -0.246 25800 489 1 1 . 1 1 84 84 ALA C C 84 177.100 177.100 177.582 -0.482 25800 490 1 1 . 1 1 84 84 ALA CA C 84 52.400 52.400 52.801 -0.401 25800 491 1 1 . 1 1 84 84 ALA CB C 84 19.100 19.100 19.481 -0.381 25800 492 1 1 . 1 1 84 84 ALA H H 84 8.020 8.020 7.703 0.317 25800 493 1 1 . 1 1 85 85 ARG N N 85 120.200 120.200 117.855 2.345 25800 494 1 1 . 1 1 85 85 ARG HA H 85 4.150 4.150 3.844 0.306 25800 495 1 1 . 1 1 85 85 ARG C C 85 175.200 175.200 176.231 -1.031 25800 496 1 1 . 1 1 85 85 ARG CA C 85 56.000 56.000 57.084 -1.084 25800 497 1 1 . 1 1 85 85 ARG CB C 85 30.800 30.800 27.552 3.248 25800 498 1 1 . 1 1 85 85 ARG H H 85 8.040 8.040 8.874 -0.834 25800 499 1 2 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.763 -0.173 25800 500 1 2 . 1 1 0 0 HIS C C 0 174.000 174.000 174.311 -0.311 25800 501 1 2 . 1 1 0 0 HIS CA C 0 55.300 55.300 56.586 -1.286 25800 502 1 2 . 1 1 0 0 HIS CB C 0 29.300 29.300 29.408 -0.108 25800 503 1 2 . 1 1 1 1 MET N N 1 122.400 122.400 122.165 0.235 25800 504 1 2 . 1 1 1 1 MET HA H 1 4.340 4.340 4.494 -0.154 25800 505 1 2 . 1 1 1 1 MET C C 1 175.600 175.600 174.063 1.537 25800 506 1 2 . 1 1 1 1 MET CA C 1 55.600 55.600 54.353 1.246 25800 507 1 2 . 1 1 1 1 MET CB C 1 32.800 32.800 35.207 -2.407 25800 508 1 2 . 1 1 1 1 MET H H 1 8.310 8.310 7.804 0.506 25800 509 1 2 . 1 1 2 2 VAL N N 2 123.200 123.200 121.916 1.284 25800 510 1 2 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.468 -0.508 25800 511 1 2 . 1 1 2 2 VAL C C 2 175.600 175.600 174.611 0.989 25800 512 1 2 . 1 1 2 2 VAL CA C 2 62.300 62.300 62.254 0.046 25800 513 1 2 . 1 1 2 2 VAL CB C 2 32.300 32.300 33.199 -0.899 25800 514 1 2 . 1 1 2 2 VAL H H 2 8.180 8.180 8.230 -0.050 25800 515 1 2 . 1 1 3 3 ILE N N 3 126.200 126.200 123.632 2.568 25800 516 1 2 . 1 1 3 3 ILE HA H 3 4.050 4.050 4.602 -0.552 25800 517 1 2 . 1 1 3 3 ILE C C 3 175.800 175.800 175.986 -0.186 25800 518 1 2 . 1 1 3 3 ILE CA C 3 60.700 60.700 59.749 0.951 25800 519 1 2 . 1 1 3 3 ILE CB C 3 38.300 38.300 40.331 -2.031 25800 520 1 2 . 1 1 3 3 ILE H H 3 8.230 8.230 8.034 0.196 25800 521 1 2 . 1 1 4 4 ARG N N 4 126.100 126.100 122.676 3.424 25800 522 1 2 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.346 -0.166 25800 523 1 2 . 1 1 4 4 ARG C C 4 175.900 175.900 175.416 0.484 25800 524 1 2 . 1 1 4 4 ARG CA C 4 56.000 56.000 56.493 -0.493 25800 525 1 2 . 1 1 4 4 ARG CB C 4 30.700 30.700 29.457 1.243 25800 526 1 2 . 1 1 4 4 ARG H H 4 8.360 8.360 8.736 -0.376 25800 527 1 2 . 1 1 5 5 GLU N N 5 122.200 122.200 118.353 3.847 25800 528 1 2 . 1 1 5 5 GLU HA H 5 4.140 4.140 4.471 -0.331 25800 529 1 2 . 1 1 5 5 GLU C C 5 176.100 176.100 174.488 1.612 25800 530 1 2 . 1 1 5 5 GLU CA C 5 56.600 56.600 55.477 1.123 25800 531 1 2 . 1 1 5 5 GLU CB C 5 30.300 30.300 30.937 -0.637 25800 532 1 2 . 1 1 5 5 GLU H H 5 8.400 8.400 7.723 0.677 25800 533 1 2 . 1 1 6 6 SER N N 6 116.200 116.200 114.281 1.919 25800 534 1 2 . 1 1 6 6 SER HA H 6 4.350 4.350 4.824 -0.474 25800 535 1 2 . 1 1 6 6 SER C C 6 174.300 174.300 172.888 1.412 25800 536 1 2 . 1 1 6 6 SER CA C 6 58.200 58.200 57.339 0.861 25800 537 1 2 . 1 1 6 6 SER CB C 6 63.800 63.800 64.401 -0.601 25800 538 1 2 . 1 1 6 6 SER H H 6 8.270 8.270 8.248 0.022 25800 539 1 2 . 1 1 7 7 VAL N N 7 119.800 119.800 125.032 -5.232 25800 540 1 2 . 1 1 7 7 VAL HA H 7 4.300 4.300 4.262 0.038 25800 541 1 2 . 1 1 7 7 VAL C C 7 175.500 175.500 175.819 -0.319 25800 542 1 2 . 1 1 7 7 VAL CA C 7 61.700 61.700 61.570 0.130 25800 543 1 2 . 1 1 7 7 VAL CB C 7 32.800 32.800 32.888 -0.088 25800 544 1 2 . 1 1 7 7 VAL H H 7 7.840 7.840 8.450 -0.610 25800 545 1 2 . 1 1 8 8 SER N N 8 117.800 117.800 123.558 -5.758 25800 546 1 2 . 1 1 8 8 SER HA H 8 4.240 4.240 4.353 -0.113 25800 547 1 2 . 1 1 8 8 SER C C 8 172.500 172.500 173.758 -1.258 25800 548 1 2 . 1 1 8 8 SER CA C 8 58.500 58.500 58.136 0.364 25800 549 1 2 . 1 1 8 8 SER CB C 8 63.600 63.600 63.331 0.269 25800 550 1 2 . 1 1 8 8 SER H H 8 8.530 8.530 8.604 -0.074 25800 551 1 2 . 1 1 9 9 ARG N N 9 123.000 123.000 120.794 2.206 25800 552 1 2 . 1 1 9 9 ARG HA H 9 5.500 5.500 5.057 0.443 25800 553 1 2 . 1 1 9 9 ARG C C 9 175.000 175.000 175.401 -0.401 25800 554 1 2 . 1 1 9 9 ARG CA C 9 54.300 54.300 54.802 -0.502 25800 555 1 2 . 1 1 9 9 ARG CB C 9 33.400 33.400 33.279 0.121 25800 556 1 2 . 1 1 9 9 ARG H H 9 7.350 7.350 8.323 -0.973 25800 557 1 2 . 1 1 10 10 ILE N N 10 114.000 114.000 122.789 -8.789 25800 558 1 2 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.203 0.617 25800 559 1 2 . 1 1 10 10 ILE C C 10 173.000 173.000 174.252 -1.252 25800 560 1 2 . 1 1 10 10 ILE CA C 10 59.400 59.400 61.492 -2.092 25800 561 1 2 . 1 1 10 10 ILE CB C 10 40.900 40.900 39.252 1.648 25800 562 1 2 . 1 1 10 10 ILE H H 10 8.830 8.830 8.689 0.141 25800 563 1 2 . 1 1 11 11 TYR N N 11 123.400 123.400 127.654 -4.254 25800 564 1 2 . 1 1 11 11 TYR HA H 11 4.930 4.930 5.164 -0.234 25800 565 1 2 . 1 1 11 11 TYR C C 11 173.000 173.000 173.124 -0.124 25800 566 1 2 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.575 0.425 25800 567 1 2 . 1 1 11 11 TYR CB C 11 40.900 40.900 41.864 -0.964 25800 568 1 2 . 1 1 11 11 TYR H H 11 8.690 8.690 7.981 0.709 25800 569 1 2 . 1 1 12 12 VAL N N 12 126.300 126.300 121.355 4.945 25800 570 1 2 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.509 0.051 25800 571 1 2 . 1 1 12 12 VAL C C 12 174.100 174.100 173.465 0.635 25800 572 1 2 . 1 1 12 12 VAL CA C 12 60.200 60.200 59.007 1.193 25800 573 1 2 . 1 1 12 12 VAL CB C 12 33.400 33.400 34.936 -1.536 25800 574 1 2 . 1 1 12 12 VAL H H 12 8.370 8.370 8.135 0.235 25800 575 1 2 . 1 1 13 13 GLY N N 13 113.000 113.000 109.443 3.557 25800 576 1 2 . 1 1 13 13 GLY C C 13 173.100 173.100 173.113 -0.013 25800 577 1 2 . 1 1 13 13 GLY CA C 13 43.300 43.300 43.237 0.063 25800 578 1 2 . 1 1 13 13 GLY H H 13 9.350 9.350 8.337 1.013 25800 579 1 2 . 1 1 14 14 ASN N N 14 113.900 113.900 115.297 -1.397 25800 580 1 2 . 1 1 14 14 ASN HA H 14 4.280 4.280 4.047 0.233 25800 581 1 2 . 1 1 14 14 ASN C C 14 175.800 175.800 174.787 1.013 25800 582 1 2 . 1 1 14 14 ASN CA C 14 53.600 53.600 54.228 -0.628 25800 583 1 2 . 1 1 14 14 ASN CB C 14 37.700 37.700 37.690 0.010 25800 584 1 2 . 1 1 14 14 ASN H H 14 8.800 8.800 8.135 0.665 25800 585 1 2 . 1 1 15 15 LEU N N 15 115.800 115.800 121.380 -5.580 25800 586 1 2 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.540 0.450 25800 587 1 2 . 1 1 15 15 LEU CA C 15 55.600 55.600 52.604 2.996 25800 588 1 2 . 1 1 15 15 LEU CB C 15 41.600 41.600 42.854 -1.254 25800 589 1 2 . 1 1 15 15 LEU H H 15 7.150 7.150 7.803 -0.653 25800 590 1 2 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.603 -0.533 25800 591 1 2 . 1 1 16 16 PRO C C 16 171.500 171.500 176.330 -4.830 25800 592 1 2 . 1 1 16 16 PRO CA C 16 62.500 62.500 61.832 0.668 25800 593 1 2 . 1 1 16 16 PRO CB C 16 32.000 32.000 32.895 -0.895 25800 594 1 2 . 1 1 17 17 SER N N 17 115.200 115.200 116.149 -0.949 25800 595 1 2 . 1 1 17 17 SER HA H 17 4.300 4.300 4.334 -0.034 25800 596 1 2 . 1 1 17 17 SER C C 17 174.200 174.200 173.949 0.251 25800 597 1 2 . 1 1 17 17 SER CA C 17 58.200 58.200 59.539 -1.339 25800 598 1 2 . 1 1 17 17 SER CB C 17 63.900 63.900 63.135 0.765 25800 599 1 2 . 1 1 17 17 SER H H 17 8.470 8.470 8.440 0.030 25800 600 1 2 . 1 1 18 18 HIS N N 18 120.800 120.800 125.008 -4.208 25800 601 1 2 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.670 -0.120 25800 602 1 2 . 1 1 18 18 HIS C C 18 175.100 175.100 174.367 0.733 25800 603 1 2 . 1 1 18 18 HIS CA C 18 55.500 55.500 56.049 -0.549 25800 604 1 2 . 1 1 18 18 HIS CB C 18 29.300 29.300 31.249 -1.949 25800 605 1 2 . 1 1 18 18 HIS H H 18 8.540 8.540 8.591 -0.051 25800 606 1 2 . 1 1 19 19 VAL N N 19 115.700 115.700 120.556 -4.856 25800 607 1 2 . 1 1 19 19 VAL HA H 19 4.260 4.260 4.308 -0.048 25800 608 1 2 . 1 1 19 19 VAL C C 19 174.000 174.000 175.923 -1.923 25800 609 1 2 . 1 1 19 19 VAL CA C 19 61.900 61.900 61.179 0.721 25800 610 1 2 . 1 1 19 19 VAL CB C 19 32.600 32.600 32.023 0.577 25800 611 1 2 . 1 1 19 19 VAL H H 19 6.650 6.650 7.887 -1.237 25800 612 1 2 . 1 1 20 20 SER N N 20 118.800 118.800 122.031 -3.231 25800 613 1 2 . 1 1 20 20 SER HA H 20 4.710 4.710 4.527 0.183 25800 614 1 2 . 1 1 20 20 SER C C 20 175.900 175.900 175.656 0.244 25800 615 1 2 . 1 1 20 20 SER CA C 20 55.800 55.800 57.429 -1.629 25800 616 1 2 . 1 1 20 20 SER CB C 20 66.600 66.600 64.910 1.690 25800 617 1 2 . 1 1 20 20 SER H H 20 8.930 8.930 8.328 0.602 25800 618 1 2 . 1 1 21 21 SER N N 21 117.100 117.100 117.529 -0.429 25800 619 1 2 . 1 1 21 21 SER HA H 21 3.880 3.880 4.113 -0.233 25800 620 1 2 . 1 1 21 21 SER C C 21 176.200 176.200 176.612 -0.412 25800 621 1 2 . 1 1 21 21 SER CA C 21 62.300 62.300 61.672 0.628 25800 622 1 2 . 1 1 21 21 SER CB C 21 66.800 66.800 63.061 3.739 25800 623 1 2 . 1 1 21 21 SER H H 21 9.080 9.080 8.923 0.157 25800 624 1 2 . 1 1 22 22 ARG N N 22 121.200 121.200 118.891 2.309 25800 625 1 2 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.166 -0.176 25800 626 1 2 . 1 1 22 22 ARG C C 22 177.900 177.900 178.495 -0.595 25800 627 1 2 . 1 1 22 22 ARG CA C 22 58.700 58.700 59.048 -0.348 25800 628 1 2 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.830 -0.230 25800 629 1 2 . 1 1 22 22 ARG H H 22 7.940 7.940 8.272 -0.332 25800 630 1 2 . 1 1 23 23 ASP N N 23 118.800 118.800 119.785 -0.985 25800 631 1 2 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.569 -0.179 25800 632 1 2 . 1 1 23 23 ASP C C 23 179.200 179.200 178.366 0.834 25800 633 1 2 . 1 1 23 23 ASP CA C 23 57.300 57.300 56.671 0.629 25800 634 1 2 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.498 0.502 25800 635 1 2 . 1 1 23 23 ASP H H 23 7.480 7.480 7.567 -0.087 25800 636 1 2 . 1 1 24 24 VAL N N 24 119.500 119.500 120.707 -1.207 25800 637 1 2 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.669 -0.299 25800 638 1 2 . 1 1 24 24 VAL C C 24 177.500 177.500 177.599 -0.099 25800 639 1 2 . 1 1 24 24 VAL CA C 24 66.900 66.900 67.184 -0.284 25800 640 1 2 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.841 -0.441 25800 641 1 2 . 1 1 24 24 VAL H H 24 7.450 7.450 8.461 -1.011 25800 642 1 2 . 1 1 25 25 GLU N N 25 121.400 121.400 119.886 1.514 25800 643 1 2 . 1 1 25 25 GLU HA H 25 3.570 3.570 3.960 -0.390 25800 644 1 2 . 1 1 25 25 GLU C C 25 178.400 178.400 178.793 -0.393 25800 645 1 2 . 1 1 25 25 GLU CA C 25 60.600 60.600 60.072 0.528 25800 646 1 2 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.536 0.064 25800 647 1 2 . 1 1 25 25 GLU H H 25 8.580 8.580 8.352 0.228 25800 648 1 2 . 1 1 26 26 ASN N N 26 114.800 114.800 117.074 -2.274 25800 649 1 2 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.465 -0.145 25800 650 1 2 . 1 1 26 26 ASN C C 26 177.400 177.400 177.727 -0.327 25800 651 1 2 . 1 1 26 26 ASN CA C 26 55.900 55.900 55.871 0.029 25800 652 1 2 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.657 -0.757 25800 653 1 2 . 1 1 26 26 ASN H H 26 8.180 8.180 8.034 0.146 25800 654 1 2 . 1 1 27 27 GLU N N 27 118.900 118.900 119.848 -0.948 25800 655 1 2 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.135 0.005 25800 656 1 2 . 1 1 27 27 GLU C C 27 176.400 176.400 179.096 -2.696 25800 657 1 2 . 1 1 27 27 GLU CA C 27 57.400 57.400 58.852 -1.452 25800 658 1 2 . 1 1 27 27 GLU CB C 27 29.400 29.400 29.605 -0.205 25800 659 1 2 . 1 1 27 27 GLU H H 27 7.340 7.340 8.115 -0.775 25800 660 1 2 . 1 1 28 28 PHE N N 28 114.100 114.100 119.076 -4.976 25800 661 1 2 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.301 0.249 25800 662 1 2 . 1 1 28 28 PHE C C 28 176.300 176.300 177.978 -1.678 25800 663 1 2 . 1 1 28 28 PHE CA C 28 60.000 60.000 61.351 -1.351 25800 664 1 2 . 1 1 28 28 PHE CB C 28 40.800 40.800 38.865 1.935 25800 665 1 2 . 1 1 28 28 PHE H H 28 7.660 7.660 8.426 -0.766 25800 666 1 2 . 1 1 29 29 ARG N N 29 121.700 121.700 118.822 2.878 25800 667 1 2 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.301 0.109 25800 668 1 2 . 1 1 29 29 ARG C C 29 177.100 177.100 177.563 -0.463 25800 669 1 2 . 1 1 29 29 ARG CA C 29 58.200 58.200 58.858 -0.658 25800 670 1 2 . 1 1 29 29 ARG CB C 29 29.300 29.300 30.220 -0.920 25800 671 1 2 . 1 1 29 29 ARG H H 29 8.120 8.120 7.989 0.131 25800 672 1 2 . 1 1 30 30 LYS N N 30 117.200 117.200 117.531 -0.331 25800 673 1 2 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.218 -0.388 25800 674 1 2 . 1 1 30 30 LYS C C 30 177.100 177.100 178.525 -1.425 25800 675 1 2 . 1 1 30 30 LYS CA C 30 57.800 57.800 58.041 -0.241 25800 676 1 2 . 1 1 30 30 LYS CB C 30 31.100 31.100 32.063 -0.963 25800 677 1 2 . 1 1 30 30 LYS H H 30 7.630 7.630 7.652 -0.022 25800 678 1 2 . 1 1 31 31 TYR N N 31 117.100 117.100 119.489 -2.389 25800 679 1 2 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.533 -0.383 25800 680 1 2 . 1 1 31 31 TYR C C 31 174.400 174.400 176.704 -2.304 25800 681 1 2 . 1 1 31 31 TYR CA C 31 59.900 59.900 60.139 -0.239 25800 682 1 2 . 1 1 31 31 TYR CB C 31 37.900 37.900 39.855 -1.955 25800 683 1 2 . 1 1 31 31 TYR H H 31 7.410 7.410 8.152 -0.742 25800 684 1 2 . 1 1 32 32 GLY N N 32 104.100 104.100 103.844 0.256 25800 685 1 2 . 1 1 32 32 GLY C C 32 177.000 177.000 171.700 5.300 25800 686 1 2 . 1 1 32 32 GLY CA C 32 44.500 44.500 44.942 -0.442 25800 687 1 2 . 1 1 32 32 GLY H H 32 7.240 7.240 8.030 -0.790 25800 688 1 2 . 1 1 33 33 ASN N N 33 115.300 115.300 119.318 -4.018 25800 689 1 2 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.673 -0.233 25800 690 1 2 . 1 1 33 33 ASN C C 33 175.500 175.500 174.325 1.175 25800 691 1 2 . 1 1 33 33 ASN CA C 33 54.300 54.300 53.194 1.106 25800 692 1 2 . 1 1 33 33 ASN CB C 33 38.400 38.400 38.824 -0.424 25800 693 1 2 . 1 1 33 33 ASN H H 33 8.460 8.460 8.514 -0.054 25800 694 1 2 . 1 1 34 34 ILE N N 34 126.700 126.700 125.683 1.017 25800 695 1 2 . 1 1 34 34 ILE HA H 34 3.790 3.790 4.292 -0.502 25800 696 1 2 . 1 1 34 34 ILE C C 34 175.600 175.600 175.058 0.542 25800 697 1 2 . 1 1 34 34 ILE CA C 34 61.300 61.300 60.632 0.668 25800 698 1 2 . 1 1 34 34 ILE CB C 34 40.000 40.000 38.639 1.361 25800 699 1 2 . 1 1 34 34 ILE H H 34 8.050 8.050 8.262 -0.212 25800 700 1 2 . 1 1 35 35 LEU N N 35 127.400 127.400 128.624 -1.224 25800 701 1 2 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.512 -0.352 25800 702 1 2 . 1 1 35 35 LEU C C 35 177.200 177.200 176.173 1.027 25800 703 1 2 . 1 1 35 35 LEU CA C 35 55.500 55.500 55.421 0.079 25800 704 1 2 . 1 1 35 35 LEU CB C 35 42.700 42.700 42.716 -0.016 25800 705 1 2 . 1 1 35 35 LEU H H 35 8.780 8.780 8.814 -0.034 25800 706 1 2 . 1 1 36 36 LYS N N 36 117.000 117.000 118.683 -1.683 25800 707 1 2 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.519 -0.279 25800 708 1 2 . 1 1 36 36 LYS C C 36 173.600 173.600 173.855 -0.255 25800 709 1 2 . 1 1 36 36 LYS CA C 36 55.900 55.900 56.377 -0.477 25800 710 1 2 . 1 1 36 36 LYS CB C 36 36.600 36.600 35.366 1.234 25800 711 1 2 . 1 1 36 36 LYS H H 36 7.110 7.110 7.489 -0.379 25800 712 1 2 . 1 1 37 37 CYS N N 37 125.400 125.400 125.602 -0.202 25800 713 1 2 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.447 -0.747 25800 714 1 2 . 1 1 37 37 CYS C C 37 171.600 171.600 172.621 -1.021 25800 715 1 2 . 1 1 37 37 CYS CA C 37 57.900 57.900 57.319 0.581 25800 716 1 2 . 1 1 37 37 CYS CB C 37 27.100 27.100 29.031 -1.931 25800 717 1 2 . 1 1 37 37 CYS H H 37 8.610 8.610 8.781 -0.171 25800 718 1 2 . 1 1 38 38 ASP N N 38 128.200 128.200 128.032 0.168 25800 719 1 2 . 1 1 38 38 ASP HA H 38 4.950 4.950 5.013 -0.063 25800 720 1 2 . 1 1 38 38 ASP C C 38 174.300 174.300 173.982 0.318 25800 721 1 2 . 1 1 38 38 ASP CA C 38 53.200 53.200 53.751 -0.551 25800 722 1 2 . 1 1 38 38 ASP CB C 38 44.300 44.300 45.785 -1.485 25800 723 1 2 . 1 1 38 38 ASP H H 38 8.290 8.290 8.584 -0.294 25800 724 1 2 . 1 1 39 39 VAL N N 39 123.500 123.500 120.506 2.994 25800 725 1 2 . 1 1 39 39 VAL HA H 39 4.300 4.300 5.005 -0.705 25800 726 1 2 . 1 1 39 39 VAL C C 39 175.000 175.000 175.208 -0.208 25800 727 1 2 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.257 0.443 25800 728 1 2 . 1 1 39 39 VAL CB C 39 33.100 33.100 34.003 -0.903 25800 729 1 2 . 1 1 39 39 VAL H H 39 8.380 8.380 8.601 -0.221 25800 730 1 2 . 1 1 40 40 LYS N N 40 129.100 129.100 126.551 2.549 25800 731 1 2 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.980 -0.660 25800 732 1 2 . 1 1 40 40 LYS C C 40 173.700 173.700 174.566 -0.866 25800 733 1 2 . 1 1 40 40 LYS CA C 40 53.900 53.900 54.435 -0.535 25800 734 1 2 . 1 1 40 40 LYS CB C 40 35.500 35.500 35.864 -0.364 25800 735 1 2 . 1 1 40 40 LYS H H 40 8.680 8.680 9.330 -0.650 25800 736 1 2 . 1 1 41 41 LYS N N 41 117.300 117.300 120.863 -3.563 25800 737 1 2 . 1 1 41 41 LYS HA H 41 4.980 4.980 5.299 -0.319 25800 738 1 2 . 1 1 41 41 LYS C C 41 177.800 177.800 175.503 2.297 25800 739 1 2 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.671 -0.071 25800 740 1 2 . 1 1 41 41 LYS CB C 41 35.000 35.000 35.219 -0.219 25800 741 1 2 . 1 1 41 41 LYS H H 41 7.900 7.900 8.387 -0.487 25800 742 1 2 . 1 1 42 42 THR N N 42 113.200 113.200 115.589 -2.389 25800 743 1 2 . 1 1 42 42 THR HA H 42 4.680 4.680 4.708 -0.028 25800 744 1 2 . 1 1 42 42 THR C C 42 176.900 176.900 176.088 0.812 25800 745 1 2 . 1 1 42 42 THR CA C 42 60.200 60.200 60.467 -0.267 25800 746 1 2 . 1 1 42 42 THR CB C 42 71.600 71.600 69.949 1.651 25800 747 1 2 . 1 1 42 42 THR H H 42 8.730 8.730 8.630 0.100 25800 748 1 2 . 1 1 43 43 VAL N N 43 120.000 120.000 127.130 -7.130 25800 749 1 2 . 1 1 43 43 VAL HA H 43 3.920 3.920 3.966 -0.046 25800 750 1 2 . 1 1 43 43 VAL C C 43 177.000 177.000 176.335 0.665 25800 751 1 2 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.295 0.405 25800 752 1 2 . 1 1 43 43 VAL CB C 43 31.800 31.800 32.047 -0.247 25800 753 1 2 . 1 1 43 43 VAL H H 43 8.730 8.730 8.617 0.113 25800 754 1 2 . 1 1 44 44 SER N N 44 113.400 113.400 114.075 -0.675 25800 755 1 2 . 1 1 44 44 SER HA H 44 4.360 4.360 4.359 0.001 25800 756 1 2 . 1 1 44 44 SER C C 44 174.800 174.800 175.237 -0.437 25800 757 1 2 . 1 1 44 44 SER CA C 44 58.400 58.400 58.587 -0.187 25800 758 1 2 . 1 1 44 44 SER CB C 44 63.500 63.500 63.497 0.003 25800 759 1 2 . 1 1 44 44 SER H H 44 7.760 7.760 7.906 -0.146 25800 760 1 2 . 1 1 45 45 GLY N N 45 110.200 110.200 108.767 1.433 25800 761 1 2 . 1 1 45 45 GLY C C 45 173.500 173.500 173.685 -0.185 25800 762 1 2 . 1 1 45 45 GLY CA C 45 45.300 45.300 44.858 0.442 25800 763 1 2 . 1 1 45 45 GLY H H 45 7.820 7.820 7.804 0.016 25800 764 1 2 . 1 1 46 46 ALA N N 46 123.900 123.900 122.088 1.812 25800 765 1 2 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.223 0.167 25800 766 1 2 . 1 1 46 46 ALA C C 46 176.100 176.100 175.224 0.876 25800 767 1 2 . 1 1 46 46 ALA CA C 46 51.900 51.900 51.910 -0.010 25800 768 1 2 . 1 1 46 46 ALA CB C 46 19.800 19.800 19.894 -0.094 25800 769 1 2 . 1 1 46 46 ALA H H 46 7.440 7.440 7.765 -0.325 25800 770 1 2 . 1 1 47 47 ALA N N 47 123.100 123.100 122.089 1.011 25800 771 1 2 . 1 1 47 47 ALA HA H 47 5.200 5.200 5.136 0.064 25800 772 1 2 . 1 1 47 47 ALA C C 47 176.100 176.100 175.000 1.100 25800 773 1 2 . 1 1 47 47 ALA CA C 47 50.900 50.900 50.110 0.790 25800 774 1 2 . 1 1 47 47 ALA CB C 47 21.900 21.900 22.585 -0.685 25800 775 1 2 . 1 1 47 47 ALA H H 47 8.350 8.350 7.920 0.430 25800 776 1 2 . 1 1 48 48 PHE N N 48 118.700 118.700 116.975 1.725 25800 777 1 2 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.215 -0.185 25800 778 1 2 . 1 1 48 48 PHE C C 48 171.600 171.600 173.973 -2.373 25800 779 1 2 . 1 1 48 48 PHE CA C 48 55.700 55.700 57.016 -1.316 25800 780 1 2 . 1 1 48 48 PHE CB C 48 41.200 41.200 43.297 -2.097 25800 781 1 2 . 1 1 48 48 PHE H H 48 8.550 8.550 9.150 -0.600 25800 782 1 2 . 1 1 49 49 ALA N N 49 120.400 120.400 124.778 -4.378 25800 783 1 2 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.364 -0.034 25800 784 1 2 . 1 1 49 49 ALA C C 49 175.500 175.500 175.374 0.126 25800 785 1 2 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.165 -0.865 25800 786 1 2 . 1 1 49 49 ALA CB C 49 23.700 23.700 21.651 2.049 25800 787 1 2 . 1 1 49 49 ALA H H 49 9.240 9.240 8.992 0.248 25800 788 1 2 . 1 1 50 50 PHE N N 50 115.000 115.000 120.922 -5.922 25800 789 1 2 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.616 -0.016 25800 790 1 2 . 1 1 50 50 PHE C C 50 176.000 176.000 174.302 1.698 25800 791 1 2 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.339 0.161 25800 792 1 2 . 1 1 50 50 PHE CB C 50 42.200 42.200 43.273 -1.073 25800 793 1 2 . 1 1 50 50 PHE H H 50 7.920 7.920 9.031 -1.111 25800 794 1 2 . 1 1 51 51 ILE N N 51 123.000 123.000 122.101 0.899 25800 795 1 2 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.800 -0.350 25800 796 1 2 . 1 1 51 51 ILE C C 51 173.700 173.700 174.583 -0.883 25800 797 1 2 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.276 -0.076 25800 798 1 2 . 1 1 51 51 ILE CB C 51 40.700 40.700 40.092 0.609 25800 799 1 2 . 1 1 51 51 ILE H H 51 8.490 8.490 9.129 -0.639 25800 800 1 2 . 1 1 52 52 GLU N N 52 126.600 126.600 127.414 -0.814 25800 801 1 2 . 1 1 52 52 GLU HA H 52 4.770 4.770 4.518 0.252 25800 802 1 2 . 1 1 52 52 GLU C C 52 175.300 175.300 175.042 0.258 25800 803 1 2 . 1 1 52 52 GLU CA C 52 54.700 54.700 56.677 -1.977 25800 804 1 2 . 1 1 52 52 GLU CB C 52 31.500 31.500 31.602 -0.103 25800 805 1 2 . 1 1 52 52 GLU H H 52 8.610 8.610 9.088 -0.478 25800 806 1 2 . 1 1 53 53 PHE N N 53 126.100 126.100 125.494 0.606 25800 807 1 2 . 1 1 53 53 PHE HA H 53 4.800 4.800 5.231 -0.431 25800 808 1 2 . 1 1 53 53 PHE C C 53 175.400 175.400 175.787 -0.387 25800 809 1 2 . 1 1 53 53 PHE CA C 53 58.200 58.200 56.764 1.436 25800 810 1 2 . 1 1 53 53 PHE CB C 53 40.900 40.900 43.049 -2.149 25800 811 1 2 . 1 1 53 53 PHE H H 53 8.800 8.800 9.168 -0.368 25800 812 1 2 . 1 1 54 54 GLU N N 54 120.700 120.700 123.765 -3.065 25800 813 1 2 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.163 -0.233 25800 814 1 2 . 1 1 54 54 GLU C C 54 175.300 175.300 175.720 -0.420 25800 815 1 2 . 1 1 54 54 GLU CA C 54 59.100 59.100 57.728 1.372 25800 816 1 2 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.427 0.373 25800 817 1 2 . 1 1 54 54 GLU H H 54 8.160 8.160 8.343 -0.183 25800 818 1 2 . 1 1 55 55 ASP N N 55 117.900 117.900 119.229 -1.329 25800 819 1 2 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.881 0.039 25800 820 1 2 . 1 1 55 55 ASP C C 55 176.400 176.400 175.535 0.865 25800 821 1 2 . 1 1 55 55 ASP CA C 55 52.400 52.400 53.408 -1.008 25800 822 1 2 . 1 1 55 55 ASP CB C 55 44.400 44.400 42.915 1.485 25800 823 1 2 . 1 1 55 55 ASP H H 55 8.740 8.740 8.276 0.464 25800 824 1 2 . 1 1 56 56 ALA N N 56 128.900 128.900 126.578 2.322 25800 825 1 2 . 1 1 56 56 ALA HA H 56 3.830 3.830 4.067 -0.237 25800 826 1 2 . 1 1 56 56 ALA C C 56 179.800 179.800 179.163 0.637 25800 827 1 2 . 1 1 56 56 ALA CA C 56 55.200 55.200 55.220 -0.020 25800 828 1 2 . 1 1 56 56 ALA CB C 56 18.900 18.900 19.203 -0.303 25800 829 1 2 . 1 1 56 56 ALA H H 56 8.800 8.800 8.645 0.155 25800 830 1 2 . 1 1 57 57 ARG N N 57 119.200 119.200 117.551 1.649 25800 831 1 2 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.084 -0.194 25800 832 1 2 . 1 1 57 57 ARG C C 57 178.000 178.000 177.721 0.279 25800 833 1 2 . 1 1 57 57 ARG CA C 57 58.900 58.900 59.665 -0.765 25800 834 1 2 . 1 1 57 57 ARG CB C 57 29.300 29.300 29.681 -0.381 25800 835 1 2 . 1 1 57 57 ARG H H 57 8.950 8.950 8.512 0.438 25800 836 1 2 . 1 1 58 58 ASP N N 58 120.900 120.900 117.770 3.130 25800 837 1 2 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.529 -0.439 25800 838 1 2 . 1 1 58 58 ASP C C 58 176.700 176.700 177.749 -1.049 25800 839 1 2 . 1 1 58 58 ASP CA C 58 56.500 56.500 56.908 -0.408 25800 840 1 2 . 1 1 58 58 ASP CB C 58 39.900 39.900 40.696 -0.796 25800 841 1 2 . 1 1 58 58 ASP H H 58 7.020 7.020 8.404 -1.384 25800 842 1 2 . 1 1 59 59 ALA N N 59 119.700 119.700 122.165 -2.465 25800 843 1 2 . 1 1 59 59 ALA HA H 59 3.080 3.080 4.603 -1.523 25800 844 1 2 . 1 1 59 59 ALA C C 59 178.100 178.100 179.525 -1.425 25800 845 1 2 . 1 1 59 59 ALA CA C 59 54.300 54.300 54.821 -0.520 25800 846 1 2 . 1 1 59 59 ALA CB C 59 18.400 18.400 18.815 -0.415 25800 847 1 2 . 1 1 59 59 ALA H H 59 6.440 6.440 7.543 -1.103 25800 848 1 2 . 1 1 60 60 ALA N N 60 117.600 117.600 121.258 -3.658 25800 849 1 2 . 1 1 60 60 ALA HA H 60 3.830 3.830 4.030 -0.200 25800 850 1 2 . 1 1 60 60 ALA C C 60 180.900 180.900 179.356 1.544 25800 851 1 2 . 1 1 60 60 ALA CA C 60 54.900 54.900 55.494 -0.594 25800 852 1 2 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.272 -0.572 25800 853 1 2 . 1 1 60 60 ALA H H 60 7.330 7.330 8.530 -1.200 25800 854 1 2 . 1 1 61 61 ASP N N 61 120.100 120.100 117.672 2.428 25800 855 1 2 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.457 -0.247 25800 856 1 2 . 1 1 61 61 ASP C C 61 176.700 176.700 177.939 -1.239 25800 857 1 2 . 1 1 61 61 ASP CA C 61 57.100 57.100 57.020 0.080 25800 858 1 2 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.486 -0.386 25800 859 1 2 . 1 1 61 61 ASP H H 61 7.590 7.590 8.175 -0.585 25800 860 1 2 . 1 1 62 62 ALA N N 62 122.200 122.200 121.709 0.491 25800 861 1 2 . 1 1 62 62 ALA HA H 62 2.420 2.420 4.082 -1.662 25800 862 1 2 . 1 1 62 62 ALA C C 62 179.300 179.300 178.552 0.748 25800 863 1 2 . 1 1 62 62 ALA CA C 62 54.600 54.600 53.726 0.874 25800 864 1 2 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.776 0.324 25800 865 1 2 . 1 1 62 62 ALA H H 62 7.440 7.440 7.433 0.007 25800 866 1 2 . 1 1 63 63 ILE N N 63 116.700 116.700 118.693 -1.993 25800 867 1 2 . 1 1 63 63 ILE HA H 63 3.240 3.240 4.245 -1.005 25800 868 1 2 . 1 1 63 63 ILE C C 63 177.800 177.800 178.315 -0.515 25800 869 1 2 . 1 1 63 63 ILE CA C 63 65.600 65.600 63.053 2.547 25800 870 1 2 . 1 1 63 63 ILE CB C 63 38.900 38.900 38.371 0.529 25800 871 1 2 . 1 1 63 63 ILE H H 63 7.540 7.540 8.397 -0.857 25800 872 1 2 . 1 1 64 64 LYS N N 64 117.400 117.400 119.956 -2.556 25800 873 1 2 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.108 -0.208 25800 874 1 2 . 1 1 64 64 LYS C C 64 178.900 178.900 178.394 0.506 25800 875 1 2 . 1 1 64 64 LYS CA C 64 58.800 58.800 58.942 -0.142 25800 876 1 2 . 1 1 64 64 LYS CB C 64 32.600 32.600 31.541 1.059 25800 877 1 2 . 1 1 64 64 LYS H H 64 7.490 7.490 8.513 -1.023 25800 878 1 2 . 1 1 65 65 GLU N N 65 113.800 113.800 117.984 -4.184 25800 879 1 2 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.277 -0.117 25800 880 1 2 . 1 1 65 65 GLU C C 65 178.300 178.300 177.417 0.883 25800 881 1 2 . 1 1 65 65 GLU CA C 65 58.300 58.300 58.156 0.144 25800 882 1 2 . 1 1 65 65 GLU CB C 65 30.700 30.700 28.721 1.979 25800 883 1 2 . 1 1 65 65 GLU H H 65 7.960 7.960 8.199 -0.239 25800 884 1 2 . 1 1 66 66 LYS N N 66 114.700 114.700 118.434 -3.734 25800 885 1 2 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.559 -0.089 25800 886 1 2 . 1 1 66 66 LYS C C 66 177.500 177.500 176.310 1.190 25800 887 1 2 . 1 1 66 66 LYS CA C 66 54.400 54.400 55.118 -0.718 25800 888 1 2 . 1 1 66 66 LYS CB C 66 33.000 33.000 32.303 0.697 25800 889 1 2 . 1 1 66 66 LYS H H 66 8.050 8.050 7.720 0.330 25800 890 1 2 . 1 1 67 67 ASP N N 67 118.800 118.800 120.226 -1.426 25800 891 1 2 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.480 -0.260 25800 892 1 2 . 1 1 67 67 ASP C C 67 177.700 177.700 177.684 0.016 25800 893 1 2 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.305 4.095 25800 894 1 2 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.293 0.107 25800 895 1 2 . 1 1 67 67 ASP H H 67 7.620 7.620 7.442 0.178 25800 896 1 2 . 1 1 68 68 GLY N N 68 115.600 115.600 107.772 7.828 25800 897 1 2 . 1 1 68 68 GLY C C 68 173.800 173.800 174.601 -0.801 25800 898 1 2 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.773 1.127 25800 899 1 2 . 1 1 68 68 GLY H H 68 8.470 8.470 8.548 -0.078 25800 900 1 2 . 1 1 69 69 CYS N N 69 119.200 119.200 121.152 -1.952 25800 901 1 2 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.766 -0.606 25800 902 1 2 . 1 1 69 69 CYS C C 69 172.600 172.600 174.786 -2.186 25800 903 1 2 . 1 1 69 69 CYS CA C 69 58.000 58.000 57.553 0.447 25800 904 1 2 . 1 1 69 69 CYS CB C 69 28.700 28.700 29.211 -0.511 25800 905 1 2 . 1 1 69 69 CYS H H 69 7.890 7.890 8.087 -0.197 25800 906 1 2 . 1 1 70 70 ASP N N 70 122.200 122.200 124.980 -2.780 25800 907 1 2 . 1 1 70 70 ASP HA H 70 4.830 4.830 4.866 -0.036 25800 908 1 2 . 1 1 70 70 ASP C C 70 176.400 176.400 175.218 1.182 25800 909 1 2 . 1 1 70 70 ASP CA C 70 54.700 54.700 54.358 0.342 25800 910 1 2 . 1 1 70 70 ASP CB C 70 42.700 42.700 41.930 0.770 25800 911 1 2 . 1 1 70 70 ASP H H 70 8.360 8.360 8.708 -0.348 25800 912 1 2 . 1 1 71 71 PHE N N 71 127.600 127.600 121.530 6.070 25800 913 1 2 . 1 1 71 71 PHE HA H 71 4.600 4.600 5.184 -0.584 25800 914 1 2 . 1 1 71 71 PHE C C 71 173.600 173.600 174.399 -0.799 25800 915 1 2 . 1 1 71 71 PHE CA C 71 56.800 56.800 56.211 0.589 25800 916 1 2 . 1 1 71 71 PHE CB C 71 40.700 40.700 42.590 -1.890 25800 917 1 2 . 1 1 71 71 PHE H H 71 9.390 9.390 7.790 1.600 25800 918 1 2 . 1 1 72 72 GLU N N 72 123.900 123.900 122.194 1.706 25800 919 1 2 . 1 1 72 72 GLU HA H 72 3.540 3.540 4.067 -0.527 25800 920 1 2 . 1 1 72 72 GLU C C 72 175.500 175.500 175.913 -0.413 25800 921 1 2 . 1 1 72 72 GLU CA C 72 56.700 56.700 56.497 0.203 25800 922 1 2 . 1 1 72 72 GLU CB C 72 27.300 27.300 29.462 -2.162 25800 923 1 2 . 1 1 72 72 GLU H H 72 8.940 8.940 9.140 -0.200 25800 924 1 2 . 1 1 73 73 GLY N N 73 105.200 105.200 109.554 -4.354 25800 925 1 2 . 1 1 73 73 GLY C C 73 174.100 174.100 173.051 1.049 25800 926 1 2 . 1 1 73 73 GLY CA C 73 45.600 45.600 44.902 0.698 25800 927 1 2 . 1 1 73 73 GLY H H 73 8.350 8.350 8.606 -0.256 25800 928 1 2 . 1 1 74 74 ASN N N 74 121.000 121.000 115.705 5.295 25800 929 1 2 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.892 -0.132 25800 930 1 2 . 1 1 74 74 ASN C C 74 174.000 174.000 173.083 0.917 25800 931 1 2 . 1 1 74 74 ASN CA C 74 50.900 50.900 51.978 -1.078 25800 932 1 2 . 1 1 74 74 ASN CB C 74 39.700 39.700 40.157 -0.457 25800 933 1 2 . 1 1 74 74 ASN H H 74 7.740 7.740 7.872 -0.132 25800 934 1 2 . 1 1 75 75 LYS N N 75 121.400 121.400 120.389 1.011 25800 935 1 2 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.612 -0.142 25800 936 1 2 . 1 1 75 75 LYS C C 75 176.900 176.900 174.979 1.921 25800 937 1 2 . 1 1 75 75 LYS CA C 75 55.300 55.300 56.139 -0.839 25800 938 1 2 . 1 1 75 75 LYS CB C 75 31.900 31.900 33.466 -1.566 25800 939 1 2 . 1 1 75 75 LYS H H 75 8.380 8.380 8.467 -0.087 25800 940 1 2 . 1 1 76 76 LEU N N 76 127.400 127.400 124.291 3.109 25800 941 1 2 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.447 -0.017 25800 942 1 2 . 1 1 76 76 LEU C C 76 177.600 177.600 174.190 3.410 25800 943 1 2 . 1 1 76 76 LEU CA C 76 55.300 55.300 55.304 -0.004 25800 944 1 2 . 1 1 76 76 LEU CB C 76 43.100 43.100 45.510 -2.410 25800 945 1 2 . 1 1 76 76 LEU H H 76 8.950 8.950 8.380 0.570 25800 946 1 2 . 1 1 77 77 ARG N N 77 121.800 121.800 126.141 -4.341 25800 947 1 2 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.787 0.113 25800 948 1 2 . 1 1 77 77 ARG C C 77 174.700 174.700 173.925 0.775 25800 949 1 2 . 1 1 77 77 ARG CA C 77 54.000 54.000 55.543 -1.543 25800 950 1 2 . 1 1 77 77 ARG CB C 77 32.300 32.300 32.313 -0.014 25800 951 1 2 . 1 1 77 77 ARG H H 77 7.530 7.530 8.854 -1.324 25800 952 1 2 . 1 1 78 78 VAL N N 78 127.000 127.000 125.241 1.759 25800 953 1 2 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.282 0.998 25800 954 1 2 . 1 1 78 78 VAL C C 78 174.200 174.200 174.402 -0.202 25800 955 1 2 . 1 1 78 78 VAL CA C 78 61.200 61.200 61.731 -0.531 25800 956 1 2 . 1 1 78 78 VAL CB C 78 33.400 33.400 34.260 -0.860 25800 957 1 2 . 1 1 78 78 VAL H H 78 9.660 9.660 8.601 1.059 25800 958 1 2 . 1 1 79 79 GLU N N 79 121.900 121.900 127.288 -5.388 25800 959 1 2 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.686 0.024 25800 960 1 2 . 1 1 79 79 GLU C C 79 174.600 174.600 174.217 0.383 25800 961 1 2 . 1 1 79 79 GLU CA C 79 53.900 53.900 55.276 -1.376 25800 962 1 2 . 1 1 79 79 GLU CB C 79 34.400 34.400 33.978 0.422 25800 963 1 2 . 1 1 79 79 GLU H H 79 8.980 8.980 8.505 0.475 25800 964 1 2 . 1 1 80 80 VAL N N 80 121.300 121.300 122.401 -1.101 25800 965 1 2 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.336 0.034 25800 966 1 2 . 1 1 80 80 VAL CA C 80 61.000 61.000 58.176 2.824 25800 967 1 2 . 1 1 80 80 VAL CB C 80 32.100 32.100 31.010 1.090 25800 968 1 2 . 1 1 80 80 VAL H H 80 8.410 8.410 8.487 -0.077 25800 969 1 2 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.307 -0.047 25800 970 1 2 . 1 1 81 81 PRO C C 81 176.100 176.100 177.186 -1.086 25800 971 1 2 . 1 1 81 81 PRO CA C 81 63.100 63.100 64.831 -1.731 25800 972 1 2 . 1 1 81 81 PRO CB C 81 32.100 32.100 32.205 -0.105 25800 973 1 2 . 1 1 82 82 PHE N N 82 122.200 122.200 114.336 7.864 25800 974 1 2 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.375 -0.085 25800 975 1 2 . 1 1 82 82 PHE C C 82 175.300 175.300 176.647 -1.347 25800 976 1 2 . 1 1 82 82 PHE CA C 82 58.100 58.100 58.719 -0.619 25800 977 1 2 . 1 1 82 82 PHE CB C 82 39.400 39.400 38.289 1.111 25800 978 1 2 . 1 1 82 82 PHE H H 82 8.150 8.150 7.936 0.214 25800 979 1 2 . 1 1 83 83 ASN N N 83 120.800 120.800 116.095 4.705 25800 980 1 2 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.003 0.437 25800 981 1 2 . 1 1 83 83 ASN C C 83 174.100 174.100 174.634 -0.534 25800 982 1 2 . 1 1 83 83 ASN CA C 83 52.700 52.700 55.571 -2.871 25800 983 1 2 . 1 1 83 83 ASN CB C 83 38.700 38.700 37.717 0.984 25800 984 1 2 . 1 1 83 83 ASN H H 83 8.110 8.110 7.501 0.609 25800 985 1 2 . 1 1 84 84 ALA N N 84 123.700 123.700 122.230 1.470 25800 986 1 2 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.817 -0.737 25800 987 1 2 . 1 1 84 84 ALA C C 84 177.100 177.100 175.500 1.600 25800 988 1 2 . 1 1 84 84 ALA CA C 84 52.400 52.400 52.038 0.363 25800 989 1 2 . 1 1 84 84 ALA CB C 84 19.100 19.100 21.211 -2.111 25800 990 1 2 . 1 1 84 84 ALA H H 84 8.020 8.020 8.222 -0.202 25800 991 1 2 . 1 1 85 85 ARG N N 85 120.200 120.200 119.729 0.471 25800 992 1 2 . 1 1 85 85 ARG HA H 85 4.150 4.150 4.754 -0.604 25800 993 1 2 . 1 1 85 85 ARG C C 85 175.200 175.200 174.743 0.457 25800 994 1 2 . 1 1 85 85 ARG CA C 85 56.000 56.000 55.698 0.302 25800 995 1 2 . 1 1 85 85 ARG CB C 85 30.800 30.800 32.692 -1.892 25800 996 1 2 . 1 1 85 85 ARG H H 85 8.040 8.040 8.627 -0.587 25800 997 1 3 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.821 -0.231 25800 998 1 3 . 1 1 0 0 HIS C C 0 174.000 174.000 174.597 -0.597 25800 999 1 3 . 1 1 0 0 HIS CA C 0 55.300 55.300 55.233 0.068 25800 1000 1 3 . 1 1 0 0 HIS CB C 0 29.300 29.300 30.481 -1.181 25800 1001 1 3 . 1 1 1 1 MET N N 1 122.400 122.400 119.608 2.792 25800 1002 1 3 . 1 1 1 1 MET HA H 1 4.340 4.340 4.421 -0.081 25800 1003 1 3 . 1 1 1 1 MET C C 1 175.600 175.600 174.959 0.641 25800 1004 1 3 . 1 1 1 1 MET CA C 1 55.600 55.600 54.660 0.940 25800 1005 1 3 . 1 1 1 1 MET CB C 1 32.800 32.800 35.371 -2.571 25800 1006 1 3 . 1 1 1 1 MET H H 1 8.310 8.310 8.446 -0.136 25800 1007 1 3 . 1 1 2 2 VAL N N 2 123.200 123.200 122.571 0.629 25800 1008 1 3 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.151 -0.191 25800 1009 1 3 . 1 1 2 2 VAL C C 2 175.600 175.600 175.204 0.396 25800 1010 1 3 . 1 1 2 2 VAL CA C 2 62.300 62.300 62.975 -0.675 25800 1011 1 3 . 1 1 2 2 VAL CB C 2 32.300 32.300 32.712 -0.412 25800 1012 1 3 . 1 1 2 2 VAL H H 2 8.180 8.180 8.296 -0.117 25800 1013 1 3 . 1 1 3 3 ILE N N 3 126.200 126.200 125.770 0.430 25800 1014 1 3 . 1 1 3 3 ILE HA H 3 4.050 4.050 4.212 -0.162 25800 1015 1 3 . 1 1 3 3 ILE C C 3 175.800 175.800 175.299 0.501 25800 1016 1 3 . 1 1 3 3 ILE CA C 3 60.700 60.700 61.231 -0.531 25800 1017 1 3 . 1 1 3 3 ILE CB C 3 38.300 38.300 39.216 -0.916 25800 1018 1 3 . 1 1 3 3 ILE H H 3 8.230 8.230 8.550 -0.320 25800 1019 1 3 . 1 1 4 4 ARG N N 4 126.100 126.100 119.948 6.152 25800 1020 1 3 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.456 -0.276 25800 1021 1 3 . 1 1 4 4 ARG C C 4 175.900 175.900 175.015 0.885 25800 1022 1 3 . 1 1 4 4 ARG CA C 4 56.000 56.000 55.620 0.380 25800 1023 1 3 . 1 1 4 4 ARG CB C 4 30.700 30.700 32.624 -1.925 25800 1024 1 3 . 1 1 4 4 ARG H H 4 8.360 8.360 7.818 0.542 25800 1025 1 3 . 1 1 5 5 GLU N N 5 122.200 122.200 118.529 3.671 25800 1026 1 3 . 1 1 5 5 GLU HA H 5 4.140 4.140 4.051 0.089 25800 1027 1 3 . 1 1 5 5 GLU C C 5 176.100 176.100 175.180 0.920 25800 1028 1 3 . 1 1 5 5 GLU CA C 5 56.600 56.600 57.358 -0.758 25800 1029 1 3 . 1 1 5 5 GLU CB C 5 30.300 30.300 28.975 1.325 25800 1030 1 3 . 1 1 5 5 GLU H H 5 8.400 8.400 8.803 -0.403 25800 1031 1 3 . 1 1 6 6 SER N N 6 116.200 116.200 112.245 3.955 25800 1032 1 3 . 1 1 6 6 SER HA H 6 4.350 4.350 4.187 0.163 25800 1033 1 3 . 1 1 6 6 SER C C 6 174.300 174.300 174.321 -0.021 25800 1034 1 3 . 1 1 6 6 SER CA C 6 58.200 58.200 58.685 -0.485 25800 1035 1 3 . 1 1 6 6 SER CB C 6 63.800 63.800 63.353 0.447 25800 1036 1 3 . 1 1 6 6 SER H H 6 8.270 8.270 7.391 0.879 25800 1037 1 3 . 1 1 7 7 VAL N N 7 119.800 119.800 127.290 -7.490 25800 1038 1 3 . 1 1 7 7 VAL HA H 7 4.300 4.300 4.086 0.214 25800 1039 1 3 . 1 1 7 7 VAL C C 7 175.500 175.500 175.081 0.419 25800 1040 1 3 . 1 1 7 7 VAL CA C 7 61.700 61.700 61.723 -0.023 25800 1041 1 3 . 1 1 7 7 VAL CB C 7 32.800 32.800 30.190 2.610 25800 1042 1 3 . 1 1 7 7 VAL H H 7 7.840 7.840 8.867 -1.027 25800 1043 1 3 . 1 1 8 8 SER N N 8 117.800 117.800 119.288 -1.488 25800 1044 1 3 . 1 1 8 8 SER HA H 8 4.240 4.240 4.085 0.155 25800 1045 1 3 . 1 1 8 8 SER C C 8 172.500 172.500 173.120 -0.620 25800 1046 1 3 . 1 1 8 8 SER CA C 8 58.500 58.500 58.845 -0.345 25800 1047 1 3 . 1 1 8 8 SER CB C 8 63.600 63.600 63.276 0.323 25800 1048 1 3 . 1 1 8 8 SER H H 8 8.530 8.530 8.050 0.480 25800 1049 1 3 . 1 1 9 9 ARG N N 9 123.000 123.000 120.012 2.988 25800 1050 1 3 . 1 1 9 9 ARG HA H 9 5.500 5.500 4.663 0.837 25800 1051 1 3 . 1 1 9 9 ARG C C 9 175.000 175.000 174.643 0.357 25800 1052 1 3 . 1 1 9 9 ARG CA C 9 54.300 54.300 54.542 -0.242 25800 1053 1 3 . 1 1 9 9 ARG CB C 9 33.400 33.400 32.853 0.547 25800 1054 1 3 . 1 1 9 9 ARG H H 9 7.350 7.350 7.353 -0.003 25800 1055 1 3 . 1 1 10 10 ILE N N 10 114.000 114.000 122.360 -8.360 25800 1056 1 3 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.061 0.759 25800 1057 1 3 . 1 1 10 10 ILE C C 10 173.000 173.000 174.639 -1.639 25800 1058 1 3 . 1 1 10 10 ILE CA C 10 59.400 59.400 62.063 -2.663 25800 1059 1 3 . 1 1 10 10 ILE CB C 10 40.900 40.900 38.644 2.256 25800 1060 1 3 . 1 1 10 10 ILE H H 10 8.830 8.830 8.335 0.495 25800 1061 1 3 . 1 1 11 11 TYR N N 11 123.400 123.400 128.086 -4.686 25800 1062 1 3 . 1 1 11 11 TYR HA H 11 4.930 4.930 5.164 -0.234 25800 1063 1 3 . 1 1 11 11 TYR C C 11 173.000 173.000 173.084 -0.084 25800 1064 1 3 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.603 0.397 25800 1065 1 3 . 1 1 11 11 TYR CB C 11 40.900 40.900 42.242 -1.342 25800 1066 1 3 . 1 1 11 11 TYR H H 11 8.690 8.690 8.501 0.189 25800 1067 1 3 . 1 1 12 12 VAL N N 12 126.300 126.300 124.923 1.377 25800 1068 1 3 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.604 -0.044 25800 1069 1 3 . 1 1 12 12 VAL C C 12 174.100 174.100 173.250 0.850 25800 1070 1 3 . 1 1 12 12 VAL CA C 12 60.200 60.200 59.024 1.176 25800 1071 1 3 . 1 1 12 12 VAL CB C 12 33.400 33.400 35.993 -2.593 25800 1072 1 3 . 1 1 12 12 VAL H H 12 8.370 8.370 8.216 0.154 25800 1073 1 3 . 1 1 13 13 GLY N N 13 113.000 113.000 113.087 -0.087 25800 1074 1 3 . 1 1 13 13 GLY C C 13 173.100 173.100 172.544 0.556 25800 1075 1 3 . 1 1 13 13 GLY CA C 13 43.300 43.300 43.524 -0.224 25800 1076 1 3 . 1 1 13 13 GLY H H 13 9.350 9.350 8.590 0.760 25800 1077 1 3 . 1 1 14 14 ASN N N 14 113.900 113.900 116.120 -2.220 25800 1078 1 3 . 1 1 14 14 ASN HA H 14 4.280 4.280 4.121 0.159 25800 1079 1 3 . 1 1 14 14 ASN C C 14 175.800 175.800 175.034 0.766 25800 1080 1 3 . 1 1 14 14 ASN CA C 14 53.600 53.600 54.125 -0.525 25800 1081 1 3 . 1 1 14 14 ASN CB C 14 37.700 37.700 36.973 0.727 25800 1082 1 3 . 1 1 14 14 ASN H H 14 8.800 8.800 7.849 0.951 25800 1083 1 3 . 1 1 15 15 LEU N N 15 115.800 115.800 115.229 0.571 25800 1084 1 3 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.621 0.369 25800 1085 1 3 . 1 1 15 15 LEU CA C 15 55.600 55.600 52.668 2.932 25800 1086 1 3 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.519 0.081 25800 1087 1 3 . 1 1 15 15 LEU H H 15 7.150 7.150 7.209 -0.059 25800 1088 1 3 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.569 -0.499 25800 1089 1 3 . 1 1 16 16 PRO C C 16 171.500 171.500 177.143 -5.643 25800 1090 1 3 . 1 1 16 16 PRO CA C 16 62.500 62.500 63.237 -0.737 25800 1091 1 3 . 1 1 16 16 PRO CB C 16 32.000 32.000 31.900 0.100 25800 1092 1 3 . 1 1 17 17 SER N N 17 115.200 115.200 119.027 -3.827 25800 1093 1 3 . 1 1 17 17 SER HA H 17 4.300 4.300 4.010 0.290 25800 1094 1 3 . 1 1 17 17 SER C C 17 174.200 174.200 173.004 1.196 25800 1095 1 3 . 1 1 17 17 SER CA C 17 58.200 58.200 60.103 -1.903 25800 1096 1 3 . 1 1 17 17 SER CB C 17 63.900 63.900 62.093 1.806 25800 1097 1 3 . 1 1 17 17 SER H H 17 8.470 8.470 8.720 -0.250 25800 1098 1 3 . 1 1 18 18 HIS N N 18 120.800 120.800 117.564 3.236 25800 1099 1 3 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.811 -0.261 25800 1100 1 3 . 1 1 18 18 HIS C C 18 175.100 175.100 174.080 1.020 25800 1101 1 3 . 1 1 18 18 HIS CA C 18 55.500 55.500 54.596 0.904 25800 1102 1 3 . 1 1 18 18 HIS CB C 18 29.300 29.300 29.372 -0.073 25800 1103 1 3 . 1 1 18 18 HIS H H 18 8.540 8.540 7.984 0.556 25800 1104 1 3 . 1 1 19 19 VAL N N 19 115.700 115.700 123.257 -7.557 25800 1105 1 3 . 1 1 19 19 VAL HA H 19 4.260 4.260 3.946 0.314 25800 1106 1 3 . 1 1 19 19 VAL C C 19 174.000 174.000 175.670 -1.670 25800 1107 1 3 . 1 1 19 19 VAL CA C 19 61.900 61.900 62.987 -1.087 25800 1108 1 3 . 1 1 19 19 VAL CB C 19 32.600 32.600 32.936 -0.336 25800 1109 1 3 . 1 1 19 19 VAL H H 19 6.650 6.650 8.025 -1.375 25800 1110 1 3 . 1 1 20 20 SER N N 20 118.800 118.800 124.306 -5.506 25800 1111 1 3 . 1 1 20 20 SER HA H 20 4.710 4.710 4.598 0.112 25800 1112 1 3 . 1 1 20 20 SER C C 20 175.900 175.900 175.761 0.139 25800 1113 1 3 . 1 1 20 20 SER CA C 20 55.800 55.800 58.501 -2.701 25800 1114 1 3 . 1 1 20 20 SER CB C 20 66.600 66.600 63.996 2.604 25800 1115 1 3 . 1 1 20 20 SER H H 20 8.930 8.930 8.494 0.436 25800 1116 1 3 . 1 1 21 21 SER N N 21 117.100 117.100 120.269 -3.169 25800 1117 1 3 . 1 1 21 21 SER HA H 21 3.880 3.880 4.168 -0.288 25800 1118 1 3 . 1 1 21 21 SER C C 21 176.200 176.200 176.566 -0.366 25800 1119 1 3 . 1 1 21 21 SER CA C 21 62.300 62.300 62.112 0.188 25800 1120 1 3 . 1 1 21 21 SER CB C 21 66.800 66.800 63.146 3.654 25800 1121 1 3 . 1 1 21 21 SER H H 21 9.080 9.080 8.976 0.104 25800 1122 1 3 . 1 1 22 22 ARG N N 22 121.200 121.200 119.518 1.682 25800 1123 1 3 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.207 -0.217 25800 1124 1 3 . 1 1 22 22 ARG C C 22 177.900 177.900 178.234 -0.334 25800 1125 1 3 . 1 1 22 22 ARG CA C 22 58.700 58.700 58.774 -0.074 25800 1126 1 3 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.837 -0.236 25800 1127 1 3 . 1 1 22 22 ARG H H 22 7.940 7.940 8.387 -0.447 25800 1128 1 3 . 1 1 23 23 ASP N N 23 118.800 118.800 120.752 -1.952 25800 1129 1 3 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.466 -0.076 25800 1130 1 3 . 1 1 23 23 ASP C C 23 179.200 179.200 178.420 0.780 25800 1131 1 3 . 1 1 23 23 ASP CA C 23 57.300 57.300 57.483 -0.182 25800 1132 1 3 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.972 0.028 25800 1133 1 3 . 1 1 23 23 ASP H H 23 7.480 7.480 7.975 -0.495 25800 1134 1 3 . 1 1 24 24 VAL N N 24 119.500 119.500 116.693 2.807 25800 1135 1 3 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.808 -0.438 25800 1136 1 3 . 1 1 24 24 VAL C C 24 177.500 177.500 177.433 0.067 25800 1137 1 3 . 1 1 24 24 VAL CA C 24 66.900 66.900 65.607 1.293 25800 1138 1 3 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.466 -0.066 25800 1139 1 3 . 1 1 24 24 VAL H H 24 7.450 7.450 7.701 -0.251 25800 1140 1 3 . 1 1 25 25 GLU N N 25 121.400 121.400 120.091 1.309 25800 1141 1 3 . 1 1 25 25 GLU HA H 25 3.570 3.570 4.096 -0.525 25800 1142 1 3 . 1 1 25 25 GLU C C 25 178.400 178.400 178.472 -0.072 25800 1143 1 3 . 1 1 25 25 GLU CA C 25 60.600 60.600 59.865 0.735 25800 1144 1 3 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.288 0.312 25800 1145 1 3 . 1 1 25 25 GLU H H 25 8.580 8.580 8.230 0.350 25800 1146 1 3 . 1 1 26 26 ASN N N 26 114.800 114.800 117.250 -2.450 25800 1147 1 3 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.569 -0.249 25800 1148 1 3 . 1 1 26 26 ASN C C 26 177.400 177.400 178.031 -0.631 25800 1149 1 3 . 1 1 26 26 ASN CA C 26 55.900 55.900 56.026 -0.126 25800 1150 1 3 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.655 -0.755 25800 1151 1 3 . 1 1 26 26 ASN H H 26 8.180 8.180 7.708 0.472 25800 1152 1 3 . 1 1 27 27 GLU N N 27 118.900 118.900 121.943 -3.043 25800 1153 1 3 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.076 0.064 25800 1154 1 3 . 1 1 27 27 GLU C C 27 176.400 176.400 179.198 -2.798 25800 1155 1 3 . 1 1 27 27 GLU CA C 27 57.400 57.400 59.285 -1.885 25800 1156 1 3 . 1 1 27 27 GLU CB C 27 29.400 29.400 29.497 -0.097 25800 1157 1 3 . 1 1 27 27 GLU H H 27 7.340 7.340 7.707 -0.367 25800 1158 1 3 . 1 1 28 28 PHE N N 28 114.100 114.100 117.113 -3.013 25800 1159 1 3 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.653 -0.103 25800 1160 1 3 . 1 1 28 28 PHE C C 28 176.300 176.300 177.867 -1.567 25800 1161 1 3 . 1 1 28 28 PHE CA C 28 60.000 60.000 60.185 -0.185 25800 1162 1 3 . 1 1 28 28 PHE CB C 28 40.800 40.800 38.696 2.104 25800 1163 1 3 . 1 1 28 28 PHE H H 28 7.660 7.660 8.372 -0.712 25800 1164 1 3 . 1 1 29 29 ARG N N 29 121.700 121.700 119.514 2.186 25800 1165 1 3 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.359 0.051 25800 1166 1 3 . 1 1 29 29 ARG C C 29 177.100 177.100 177.304 -0.204 25800 1167 1 3 . 1 1 29 29 ARG CA C 29 58.200 58.200 58.144 0.056 25800 1168 1 3 . 1 1 29 29 ARG CB C 29 29.300 29.300 30.005 -0.705 25800 1169 1 3 . 1 1 29 29 ARG H H 29 8.120 8.120 7.666 0.454 25800 1170 1 3 . 1 1 30 30 LYS N N 30 117.200 117.200 119.069 -1.869 25800 1171 1 3 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.029 -0.199 25800 1172 1 3 . 1 1 30 30 LYS C C 30 177.100 177.100 177.988 -0.888 25800 1173 1 3 . 1 1 30 30 LYS CA C 30 57.800 57.800 58.732 -0.932 25800 1174 1 3 . 1 1 30 30 LYS CB C 30 31.100 31.100 32.344 -1.244 25800 1175 1 3 . 1 1 30 30 LYS H H 30 7.630 7.630 7.697 -0.067 25800 1176 1 3 . 1 1 31 31 TYR N N 31 117.100 117.100 116.362 0.738 25800 1177 1 3 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.654 -0.504 25800 1178 1 3 . 1 1 31 31 TYR C C 31 174.400 174.400 175.805 -1.405 25800 1179 1 3 . 1 1 31 31 TYR CA C 31 59.900 59.900 59.532 0.368 25800 1180 1 3 . 1 1 31 31 TYR CB C 31 37.900 37.900 40.600 -2.700 25800 1181 1 3 . 1 1 31 31 TYR H H 31 7.410 7.410 8.035 -0.625 25800 1182 1 3 . 1 1 32 32 GLY N N 32 104.100 104.100 104.251 -0.151 25800 1183 1 3 . 1 1 32 32 GLY C C 32 177.000 177.000 172.643 4.357 25800 1184 1 3 . 1 1 32 32 GLY CA C 32 44.500 44.500 45.193 -0.693 25800 1185 1 3 . 1 1 32 32 GLY H H 32 7.240 7.240 7.585 -0.345 25800 1186 1 3 . 1 1 33 33 ASN N N 33 115.300 115.300 119.956 -4.656 25800 1187 1 3 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.824 -0.384 25800 1188 1 3 . 1 1 33 33 ASN C C 33 175.500 175.500 175.029 0.471 25800 1189 1 3 . 1 1 33 33 ASN CA C 33 54.300 54.300 52.405 1.895 25800 1190 1 3 . 1 1 33 33 ASN CB C 33 38.400 38.400 37.700 0.700 25800 1191 1 3 . 1 1 33 33 ASN H H 33 8.460 8.460 8.434 0.026 25800 1192 1 3 . 1 1 34 34 ILE N N 34 126.700 126.700 123.529 3.171 25800 1193 1 3 . 1 1 34 34 ILE HA H 34 3.790 3.790 3.962 -0.172 25800 1194 1 3 . 1 1 34 34 ILE C C 34 175.600 175.600 175.066 0.534 25800 1195 1 3 . 1 1 34 34 ILE CA C 34 61.300 61.300 62.534 -1.234 25800 1196 1 3 . 1 1 34 34 ILE CB C 34 40.000 40.000 37.984 2.016 25800 1197 1 3 . 1 1 34 34 ILE H H 34 8.050 8.050 7.813 0.237 25800 1198 1 3 . 1 1 35 35 LEU N N 35 127.400 127.400 127.286 0.114 25800 1199 1 3 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.535 -0.375 25800 1200 1 3 . 1 1 35 35 LEU C C 35 177.200 177.200 177.112 0.088 25800 1201 1 3 . 1 1 35 35 LEU CA C 35 55.500 55.500 55.166 0.334 25800 1202 1 3 . 1 1 35 35 LEU CB C 35 42.700 42.700 43.267 -0.567 25800 1203 1 3 . 1 1 35 35 LEU H H 35 8.780 8.780 8.376 0.404 25800 1204 1 3 . 1 1 36 36 LYS N N 36 117.000 117.000 117.791 -0.791 25800 1205 1 3 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.644 -0.404 25800 1206 1 3 . 1 1 36 36 LYS C C 36 173.600 173.600 174.253 -0.653 25800 1207 1 3 . 1 1 36 36 LYS CA C 36 55.900 55.900 55.477 0.423 25800 1208 1 3 . 1 1 36 36 LYS CB C 36 36.600 36.600 36.912 -0.312 25800 1209 1 3 . 1 1 36 36 LYS H H 36 7.110 7.110 7.760 -0.650 25800 1210 1 3 . 1 1 37 37 CYS N N 37 125.400 125.400 118.367 7.033 25800 1211 1 3 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.611 -0.911 25800 1212 1 3 . 1 1 37 37 CYS C C 37 171.600 171.600 172.971 -1.371 25800 1213 1 3 . 1 1 37 37 CYS CA C 37 57.900 57.900 57.100 0.800 25800 1214 1 3 . 1 1 37 37 CYS CB C 37 27.100 27.100 30.621 -3.521 25800 1215 1 3 . 1 1 37 37 CYS H H 37 8.610 8.610 8.865 -0.255 25800 1216 1 3 . 1 1 38 38 ASP N N 38 128.200 128.200 125.096 3.104 25800 1217 1 3 . 1 1 38 38 ASP HA H 38 4.950 4.950 5.300 -0.350 25800 1218 1 3 . 1 1 38 38 ASP C C 38 174.300 174.300 175.644 -1.344 25800 1219 1 3 . 1 1 38 38 ASP CA C 38 53.200 53.200 54.166 -0.966 25800 1220 1 3 . 1 1 38 38 ASP CB C 38 44.300 44.300 45.385 -1.085 25800 1221 1 3 . 1 1 38 38 ASP H H 38 8.290 8.290 8.790 -0.500 25800 1222 1 3 . 1 1 39 39 VAL N N 39 123.500 123.500 122.168 1.332 25800 1223 1 3 . 1 1 39 39 VAL HA H 39 4.300 4.300 4.757 -0.457 25800 1224 1 3 . 1 1 39 39 VAL C C 39 175.000 175.000 176.605 -1.605 25800 1225 1 3 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.331 -0.631 25800 1226 1 3 . 1 1 39 39 VAL CB C 39 33.100 33.100 32.552 0.548 25800 1227 1 3 . 1 1 39 39 VAL H H 39 8.380 8.380 8.846 -0.466 25800 1228 1 3 . 1 1 40 40 LYS N N 40 129.100 129.100 124.539 4.561 25800 1229 1 3 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.815 -0.495 25800 1230 1 3 . 1 1 40 40 LYS C C 40 173.700 173.700 174.333 -0.633 25800 1231 1 3 . 1 1 40 40 LYS CA C 40 53.900 53.900 54.785 -0.885 25800 1232 1 3 . 1 1 40 40 LYS CB C 40 35.500 35.500 36.595 -1.095 25800 1233 1 3 . 1 1 40 40 LYS H H 40 8.680 8.680 9.213 -0.533 25800 1234 1 3 . 1 1 41 41 LYS N N 41 117.300 117.300 121.818 -4.518 25800 1235 1 3 . 1 1 41 41 LYS HA H 41 4.980 4.980 5.581 -0.601 25800 1236 1 3 . 1 1 41 41 LYS C C 41 177.800 177.800 175.940 1.860 25800 1237 1 3 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.547 0.052 25800 1238 1 3 . 1 1 41 41 LYS CB C 41 35.000 35.000 35.455 -0.455 25800 1239 1 3 . 1 1 41 41 LYS H H 41 7.900 7.900 8.428 -0.528 25800 1240 1 3 . 1 1 42 42 THR N N 42 113.200 113.200 113.730 -0.530 25800 1241 1 3 . 1 1 42 42 THR HA H 42 4.680 4.680 4.739 -0.059 25800 1242 1 3 . 1 1 42 42 THR C C 42 176.900 176.900 176.385 0.515 25800 1243 1 3 . 1 1 42 42 THR CA C 42 60.200 60.200 60.570 -0.370 25800 1244 1 3 . 1 1 42 42 THR CB C 42 71.600 71.600 69.965 1.635 25800 1245 1 3 . 1 1 42 42 THR H H 42 8.730 8.730 8.432 0.298 25800 1246 1 3 . 1 1 43 43 VAL N N 43 120.000 120.000 118.015 1.985 25800 1247 1 3 . 1 1 43 43 VAL HA H 43 3.920 3.920 4.040 -0.120 25800 1248 1 3 . 1 1 43 43 VAL C C 43 177.000 177.000 176.691 0.309 25800 1249 1 3 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.576 0.124 25800 1250 1 3 . 1 1 43 43 VAL CB C 43 31.800 31.800 31.669 0.130 25800 1251 1 3 . 1 1 43 43 VAL H H 43 8.730 8.730 8.510 0.220 25800 1252 1 3 . 1 1 44 44 SER N N 44 113.400 113.400 115.401 -2.001 25800 1253 1 3 . 1 1 44 44 SER HA H 44 4.360 4.360 4.451 -0.091 25800 1254 1 3 . 1 1 44 44 SER C C 44 174.800 174.800 175.442 -0.642 25800 1255 1 3 . 1 1 44 44 SER CA C 44 58.400 58.400 58.494 -0.094 25800 1256 1 3 . 1 1 44 44 SER CB C 44 63.500 63.500 63.612 -0.112 25800 1257 1 3 . 1 1 44 44 SER H H 44 7.760 7.760 8.087 -0.327 25800 1258 1 3 . 1 1 45 45 GLY N N 45 110.200 110.200 108.617 1.583 25800 1259 1 3 . 1 1 45 45 GLY C C 45 173.500 173.500 173.982 -0.482 25800 1260 1 3 . 1 1 45 45 GLY CA C 45 45.300 45.300 44.828 0.471 25800 1261 1 3 . 1 1 45 45 GLY H H 45 7.820 7.820 7.802 0.018 25800 1262 1 3 . 1 1 46 46 ALA N N 46 123.900 123.900 123.749 0.151 25800 1263 1 3 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.210 0.180 25800 1264 1 3 . 1 1 46 46 ALA C C 46 176.100 176.100 175.938 0.162 25800 1265 1 3 . 1 1 46 46 ALA CA C 46 51.900 51.900 52.310 -0.410 25800 1266 1 3 . 1 1 46 46 ALA CB C 46 19.800 19.800 19.859 -0.059 25800 1267 1 3 . 1 1 46 46 ALA H H 46 7.440 7.440 7.665 -0.225 25800 1268 1 3 . 1 1 47 47 ALA N N 47 123.100 123.100 125.850 -2.750 25800 1269 1 3 . 1 1 47 47 ALA HA H 47 5.200 5.200 5.239 -0.039 25800 1270 1 3 . 1 1 47 47 ALA C C 47 176.100 176.100 175.654 0.446 25800 1271 1 3 . 1 1 47 47 ALA CA C 47 50.900 50.900 50.393 0.507 25800 1272 1 3 . 1 1 47 47 ALA CB C 47 21.900 21.900 21.087 0.813 25800 1273 1 3 . 1 1 47 47 ALA H H 47 8.350 8.350 7.934 0.416 25800 1274 1 3 . 1 1 48 48 PHE N N 48 118.700 118.700 119.690 -0.990 25800 1275 1 3 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.345 -0.315 25800 1276 1 3 . 1 1 48 48 PHE C C 48 171.600 171.600 173.737 -2.137 25800 1277 1 3 . 1 1 48 48 PHE CA C 48 55.700 55.700 56.554 -0.854 25800 1278 1 3 . 1 1 48 48 PHE CB C 48 41.200 41.200 44.202 -3.002 25800 1279 1 3 . 1 1 48 48 PHE H H 48 8.550 8.550 8.838 -0.288 25800 1280 1 3 . 1 1 49 49 ALA N N 49 120.400 120.400 120.859 -0.459 25800 1281 1 3 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.444 -0.114 25800 1282 1 3 . 1 1 49 49 ALA C C 49 175.500 175.500 174.866 0.634 25800 1283 1 3 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.811 -1.511 25800 1284 1 3 . 1 1 49 49 ALA CB C 49 23.700 23.700 22.894 0.806 25800 1285 1 3 . 1 1 49 49 ALA H H 49 9.240 9.240 9.000 0.240 25800 1286 1 3 . 1 1 50 50 PHE N N 50 115.000 115.000 117.443 -2.443 25800 1287 1 3 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.539 0.061 25800 1288 1 3 . 1 1 50 50 PHE C C 50 176.000 176.000 174.187 1.813 25800 1289 1 3 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.763 -0.263 25800 1290 1 3 . 1 1 50 50 PHE CB C 50 42.200 42.200 43.698 -1.498 25800 1291 1 3 . 1 1 50 50 PHE H H 50 7.920 7.920 8.596 -0.676 25800 1292 1 3 . 1 1 51 51 ILE N N 51 123.000 123.000 121.692 1.308 25800 1293 1 3 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.854 -0.404 25800 1294 1 3 . 1 1 51 51 ILE C C 51 173.700 173.700 174.328 -0.628 25800 1295 1 3 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.323 -0.123 25800 1296 1 3 . 1 1 51 51 ILE CB C 51 40.700 40.700 41.448 -0.748 25800 1297 1 3 . 1 1 51 51 ILE H H 51 8.490 8.490 9.207 -0.717 25800 1298 1 3 . 1 1 52 52 GLU N N 52 126.600 126.600 126.638 -0.038 25800 1299 1 3 . 1 1 52 52 GLU HA H 52 4.770 4.770 4.676 0.094 25800 1300 1 3 . 1 1 52 52 GLU C C 52 175.300 175.300 175.455 -0.155 25800 1301 1 3 . 1 1 52 52 GLU CA C 52 54.700 54.700 56.175 -1.476 25800 1302 1 3 . 1 1 52 52 GLU CB C 52 31.500 31.500 31.613 -0.113 25800 1303 1 3 . 1 1 52 52 GLU H H 52 8.610 8.610 8.868 -0.258 25800 1304 1 3 . 1 1 53 53 PHE N N 53 126.100 126.100 125.158 0.942 25800 1305 1 3 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.795 0.005 25800 1306 1 3 . 1 1 53 53 PHE C C 53 175.400 175.400 174.354 1.046 25800 1307 1 3 . 1 1 53 53 PHE CA C 53 58.200 58.200 56.998 1.202 25800 1308 1 3 . 1 1 53 53 PHE CB C 53 40.900 40.900 42.105 -1.204 25800 1309 1 3 . 1 1 53 53 PHE H H 53 8.800 8.800 9.055 -0.255 25800 1310 1 3 . 1 1 54 54 GLU N N 54 120.700 120.700 123.278 -2.578 25800 1311 1 3 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.356 -0.426 25800 1312 1 3 . 1 1 54 54 GLU C C 54 175.300 175.300 175.535 -0.235 25800 1313 1 3 . 1 1 54 54 GLU CA C 54 59.100 59.100 57.229 1.871 25800 1314 1 3 . 1 1 54 54 GLU CB C 54 30.800 30.800 31.789 -0.989 25800 1315 1 3 . 1 1 54 54 GLU H H 54 8.160 8.160 8.810 -0.650 25800 1316 1 3 . 1 1 55 55 ASP N N 55 117.900 117.900 119.621 -1.721 25800 1317 1 3 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.889 0.031 25800 1318 1 3 . 1 1 55 55 ASP C C 55 176.400 176.400 176.145 0.255 25800 1319 1 3 . 1 1 55 55 ASP CA C 55 52.400 52.400 52.415 -0.015 25800 1320 1 3 . 1 1 55 55 ASP CB C 55 44.400 44.400 39.982 4.418 25800 1321 1 3 . 1 1 55 55 ASP H H 55 8.740 8.740 8.121 0.619 25800 1322 1 3 . 1 1 56 56 ALA N N 56 128.900 128.900 124.495 4.405 25800 1323 1 3 . 1 1 56 56 ALA HA H 56 3.830 3.830 4.234 -0.404 25800 1324 1 3 . 1 1 56 56 ALA C C 56 179.800 179.800 179.003 0.797 25800 1325 1 3 . 1 1 56 56 ALA CA C 56 55.200 55.200 55.444 -0.244 25800 1326 1 3 . 1 1 56 56 ALA CB C 56 18.900 18.900 19.250 -0.350 25800 1327 1 3 . 1 1 56 56 ALA H H 56 8.800 8.800 8.627 0.173 25800 1328 1 3 . 1 1 57 57 ARG N N 57 119.200 119.200 115.909 3.291 25800 1329 1 3 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.138 -0.248 25800 1330 1 3 . 1 1 57 57 ARG C C 57 178.000 178.000 177.421 0.579 25800 1331 1 3 . 1 1 57 57 ARG CA C 57 58.900 58.900 58.584 0.316 25800 1332 1 3 . 1 1 57 57 ARG CB C 57 29.300 29.300 29.541 -0.241 25800 1333 1 3 . 1 1 57 57 ARG H H 57 8.950 8.950 8.374 0.576 25800 1334 1 3 . 1 1 58 58 ASP N N 58 120.900 120.900 119.720 1.180 25800 1335 1 3 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.614 -0.524 25800 1336 1 3 . 1 1 58 58 ASP C C 58 176.700 176.700 177.774 -1.074 25800 1337 1 3 . 1 1 58 58 ASP CA C 58 56.500 56.500 56.210 0.290 25800 1338 1 3 . 1 1 58 58 ASP CB C 58 39.900 39.900 41.812 -1.913 25800 1339 1 3 . 1 1 58 58 ASP H H 58 7.020 7.020 7.852 -0.832 25800 1340 1 3 . 1 1 59 59 ALA N N 59 119.700 119.700 123.319 -3.619 25800 1341 1 3 . 1 1 59 59 ALA HA H 59 3.080 3.080 4.326 -1.246 25800 1342 1 3 . 1 1 59 59 ALA C C 59 178.100 178.100 179.485 -1.385 25800 1343 1 3 . 1 1 59 59 ALA CA C 59 54.300 54.300 55.029 -0.729 25800 1344 1 3 . 1 1 59 59 ALA CB C 59 18.400 18.400 18.799 -0.400 25800 1345 1 3 . 1 1 59 59 ALA H H 59 6.440 6.440 8.553 -2.113 25800 1346 1 3 . 1 1 60 60 ALA N N 60 117.600 117.600 120.655 -3.055 25800 1347 1 3 . 1 1 60 60 ALA HA H 60 3.830 3.830 4.034 -0.204 25800 1348 1 3 . 1 1 60 60 ALA C C 60 180.900 180.900 179.205 1.695 25800 1349 1 3 . 1 1 60 60 ALA CA C 60 54.900 54.900 55.187 -0.287 25800 1350 1 3 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.247 -0.547 25800 1351 1 3 . 1 1 60 60 ALA H H 60 7.330 7.330 8.298 -0.968 25800 1352 1 3 . 1 1 61 61 ASP N N 61 120.100 120.100 117.941 2.159 25800 1353 1 3 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.477 -0.267 25800 1354 1 3 . 1 1 61 61 ASP C C 61 176.700 176.700 177.928 -1.228 25800 1355 1 3 . 1 1 61 61 ASP CA C 61 57.100 57.100 57.020 0.080 25800 1356 1 3 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.360 -0.260 25800 1357 1 3 . 1 1 61 61 ASP H H 61 7.590 7.590 8.248 -0.658 25800 1358 1 3 . 1 1 62 62 ALA N N 62 122.200 122.200 121.906 0.294 25800 1359 1 3 . 1 1 62 62 ALA HA H 62 2.420 2.420 4.211 -1.791 25800 1360 1 3 . 1 1 62 62 ALA C C 62 179.300 179.300 178.876 0.424 25800 1361 1 3 . 1 1 62 62 ALA CA C 62 54.600 54.600 53.957 0.643 25800 1362 1 3 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.468 0.632 25800 1363 1 3 . 1 1 62 62 ALA H H 62 7.440 7.440 7.507 -0.067 25800 1364 1 3 . 1 1 63 63 ILE N N 63 116.700 116.700 118.961 -2.261 25800 1365 1 3 . 1 1 63 63 ILE HA H 63 3.240 3.240 4.186 -0.946 25800 1366 1 3 . 1 1 63 63 ILE C C 63 177.800 177.800 177.960 -0.160 25800 1367 1 3 . 1 1 63 63 ILE CA C 63 65.600 65.600 62.669 2.932 25800 1368 1 3 . 1 1 63 63 ILE CB C 63 38.900 38.900 38.429 0.471 25800 1369 1 3 . 1 1 63 63 ILE H H 63 7.540 7.540 7.735 -0.195 25800 1370 1 3 . 1 1 64 64 LYS N N 64 117.400 117.400 119.891 -2.491 25800 1371 1 3 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.189 -0.289 25800 1372 1 3 . 1 1 64 64 LYS C C 64 178.900 178.900 177.797 1.103 25800 1373 1 3 . 1 1 64 64 LYS CA C 64 58.800 58.800 58.554 0.246 25800 1374 1 3 . 1 1 64 64 LYS CB C 64 32.600 32.600 31.515 1.085 25800 1375 1 3 . 1 1 64 64 LYS H H 64 7.490 7.490 8.526 -1.036 25800 1376 1 3 . 1 1 65 65 GLU N N 65 113.800 113.800 117.208 -3.408 25800 1377 1 3 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.306 -0.146 25800 1378 1 3 . 1 1 65 65 GLU C C 65 178.300 178.300 177.601 0.699 25800 1379 1 3 . 1 1 65 65 GLU CA C 65 58.300 58.300 58.142 0.158 25800 1380 1 3 . 1 1 65 65 GLU CB C 65 30.700 30.700 29.238 1.462 25800 1381 1 3 . 1 1 65 65 GLU H H 65 7.960 7.960 8.306 -0.346 25800 1382 1 3 . 1 1 66 66 LYS N N 66 114.700 114.700 118.538 -3.838 25800 1383 1 3 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.478 -0.008 25800 1384 1 3 . 1 1 66 66 LYS C C 66 177.500 177.500 177.026 0.474 25800 1385 1 3 . 1 1 66 66 LYS CA C 66 54.400 54.400 55.601 -1.201 25800 1386 1 3 . 1 1 66 66 LYS CB C 66 33.000 33.000 32.815 0.185 25800 1387 1 3 . 1 1 66 66 LYS H H 66 8.050 8.050 7.952 0.098 25800 1388 1 3 . 1 1 67 67 ASP N N 67 118.800 118.800 120.521 -1.721 25800 1389 1 3 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.485 -0.265 25800 1390 1 3 . 1 1 67 67 ASP C C 67 177.700 177.700 177.565 0.135 25800 1391 1 3 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.434 3.966 25800 1392 1 3 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.274 0.126 25800 1393 1 3 . 1 1 67 67 ASP H H 67 7.620 7.620 7.622 -0.002 25800 1394 1 3 . 1 1 68 68 GLY N N 68 115.600 115.600 107.744 7.856 25800 1395 1 3 . 1 1 68 68 GLY C C 68 173.800 173.800 174.810 -1.010 25800 1396 1 3 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.320 1.580 25800 1397 1 3 . 1 1 68 68 GLY H H 68 8.470 8.470 8.574 -0.104 25800 1398 1 3 . 1 1 69 69 CYS N N 69 119.200 119.200 119.504 -0.304 25800 1399 1 3 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.597 -0.437 25800 1400 1 3 . 1 1 69 69 CYS C C 69 172.600 172.600 173.761 -1.161 25800 1401 1 3 . 1 1 69 69 CYS CA C 69 58.000 58.000 57.856 0.144 25800 1402 1 3 . 1 1 69 69 CYS CB C 69 28.700 28.700 29.434 -0.734 25800 1403 1 3 . 1 1 69 69 CYS H H 69 7.890 7.890 8.404 -0.514 25800 1404 1 3 . 1 1 70 70 ASP N N 70 122.200 122.200 124.160 -1.960 25800 1405 1 3 . 1 1 70 70 ASP HA H 70 4.830 4.830 4.332 0.498 25800 1406 1 3 . 1 1 70 70 ASP C C 70 176.400 176.400 174.114 2.286 25800 1407 1 3 . 1 1 70 70 ASP CA C 70 54.700 54.700 53.033 1.667 25800 1408 1 3 . 1 1 70 70 ASP CB C 70 42.700 42.700 44.375 -1.675 25800 1409 1 3 . 1 1 70 70 ASP H H 70 8.360 8.360 8.293 0.067 25800 1410 1 3 . 1 1 71 71 PHE N N 71 127.600 127.600 117.896 9.704 25800 1411 1 3 . 1 1 71 71 PHE HA H 71 4.600 4.600 5.064 -0.464 25800 1412 1 3 . 1 1 71 71 PHE C C 71 173.600 173.600 174.500 -0.900 25800 1413 1 3 . 1 1 71 71 PHE CA C 71 56.800 56.800 56.562 0.238 25800 1414 1 3 . 1 1 71 71 PHE CB C 71 40.700 40.700 41.255 -0.555 25800 1415 1 3 . 1 1 71 71 PHE H H 71 9.390 9.390 7.467 1.923 25800 1416 1 3 . 1 1 72 72 GLU N N 72 123.900 123.900 119.924 3.976 25800 1417 1 3 . 1 1 72 72 GLU HA H 72 3.540 3.540 4.082 -0.542 25800 1418 1 3 . 1 1 72 72 GLU C C 72 175.500 175.500 177.629 -2.129 25800 1419 1 3 . 1 1 72 72 GLU CA C 72 56.700 56.700 56.797 -0.097 25800 1420 1 3 . 1 1 72 72 GLU CB C 72 27.300 27.300 28.326 -1.026 25800 1421 1 3 . 1 1 72 72 GLU H H 72 8.940 8.940 9.235 -0.295 25800 1422 1 3 . 1 1 73 73 GLY N N 73 105.200 105.200 112.205 -7.005 25800 1423 1 3 . 1 1 73 73 GLY C C 73 174.100 174.100 174.267 -0.167 25800 1424 1 3 . 1 1 73 73 GLY CA C 73 45.600 45.600 45.538 0.062 25800 1425 1 3 . 1 1 73 73 GLY H H 73 8.350 8.350 8.730 -0.380 25800 1426 1 3 . 1 1 74 74 ASN N N 74 121.000 121.000 122.709 -1.709 25800 1427 1 3 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.637 0.123 25800 1428 1 3 . 1 1 74 74 ASN C C 74 174.000 174.000 174.236 -0.236 25800 1429 1 3 . 1 1 74 74 ASN CA C 74 50.900 50.900 53.574 -2.674 25800 1430 1 3 . 1 1 74 74 ASN CB C 74 39.700 39.700 39.000 0.700 25800 1431 1 3 . 1 1 74 74 ASN H H 74 7.740 7.740 8.166 -0.426 25800 1432 1 3 . 1 1 75 75 LYS N N 75 121.400 121.400 121.549 -0.149 25800 1433 1 3 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.482 -0.012 25800 1434 1 3 . 1 1 75 75 LYS C C 75 176.900 176.900 175.135 1.765 25800 1435 1 3 . 1 1 75 75 LYS CA C 75 55.300 55.300 56.109 -0.809 25800 1436 1 3 . 1 1 75 75 LYS CB C 75 31.900 31.900 32.562 -0.662 25800 1437 1 3 . 1 1 75 75 LYS H H 75 8.380 8.380 8.535 -0.155 25800 1438 1 3 . 1 1 76 76 LEU N N 76 127.400 127.400 122.253 5.147 25800 1439 1 3 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.463 -0.033 25800 1440 1 3 . 1 1 76 76 LEU C C 76 177.600 177.600 174.812 2.788 25800 1441 1 3 . 1 1 76 76 LEU CA C 76 55.300 55.300 55.034 0.266 25800 1442 1 3 . 1 1 76 76 LEU CB C 76 43.100 43.100 43.673 -0.573 25800 1443 1 3 . 1 1 76 76 LEU H H 76 8.950 8.950 8.835 0.115 25800 1444 1 3 . 1 1 77 77 ARG N N 77 121.800 121.800 123.333 -1.533 25800 1445 1 3 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.464 0.436 25800 1446 1 3 . 1 1 77 77 ARG C C 77 174.700 174.700 174.640 0.060 25800 1447 1 3 . 1 1 77 77 ARG CA C 77 54.000 54.000 55.272 -1.272 25800 1448 1 3 . 1 1 77 77 ARG CB C 77 32.300 32.300 29.917 2.383 25800 1449 1 3 . 1 1 77 77 ARG H H 77 7.530 7.530 7.862 -0.332 25800 1450 1 3 . 1 1 78 78 VAL N N 78 127.000 127.000 126.469 0.531 25800 1451 1 3 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.142 1.138 25800 1452 1 3 . 1 1 78 78 VAL C C 78 174.200 174.200 175.266 -1.066 25800 1453 1 3 . 1 1 78 78 VAL CA C 78 61.200 61.200 63.214 -2.014 25800 1454 1 3 . 1 1 78 78 VAL CB C 78 33.400 33.400 32.388 1.012 25800 1455 1 3 . 1 1 78 78 VAL H H 78 9.660 9.660 7.817 1.843 25800 1456 1 3 . 1 1 79 79 GLU N N 79 121.900 121.900 127.250 -5.350 25800 1457 1 3 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.597 0.113 25800 1458 1 3 . 1 1 79 79 GLU C C 79 174.600 174.600 174.361 0.239 25800 1459 1 3 . 1 1 79 79 GLU CA C 79 53.900 53.900 55.289 -1.389 25800 1460 1 3 . 1 1 79 79 GLU CB C 79 34.400 34.400 34.268 0.132 25800 1461 1 3 . 1 1 79 79 GLU H H 79 8.980 8.980 8.733 0.247 25800 1462 1 3 . 1 1 80 80 VAL N N 80 121.300 121.300 124.780 -3.480 25800 1463 1 3 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.434 -0.064 25800 1464 1 3 . 1 1 80 80 VAL CA C 80 61.000 61.000 59.449 1.552 25800 1465 1 3 . 1 1 80 80 VAL CB C 80 32.100 32.100 32.381 -0.281 25800 1466 1 3 . 1 1 80 80 VAL H H 80 8.410 8.410 8.570 -0.160 25800 1467 1 3 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.476 -0.216 25800 1468 1 3 . 1 1 81 81 PRO C C 81 176.100 176.100 176.775 -0.675 25800 1469 1 3 . 1 1 81 81 PRO CA C 81 63.100 63.100 64.023 -0.923 25800 1470 1 3 . 1 1 81 81 PRO CB C 81 32.100 32.100 32.231 -0.131 25800 1471 1 3 . 1 1 82 82 PHE N N 82 122.200 122.200 116.512 5.688 25800 1472 1 3 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.754 -0.464 25800 1473 1 3 . 1 1 82 82 PHE C C 82 175.300 175.300 175.380 -0.080 25800 1474 1 3 . 1 1 82 82 PHE CA C 82 58.100 58.100 54.177 3.923 25800 1475 1 3 . 1 1 82 82 PHE CB C 82 39.400 39.400 37.384 2.016 25800 1476 1 3 . 1 1 82 82 PHE H H 82 8.150 8.150 8.099 0.051 25800 1477 1 3 . 1 1 83 83 ASN N N 83 120.800 120.800 119.735 1.065 25800 1478 1 3 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.295 0.145 25800 1479 1 3 . 1 1 83 83 ASN C C 83 174.100 174.100 174.249 -0.149 25800 1480 1 3 . 1 1 83 83 ASN CA C 83 52.700 52.700 52.887 -0.187 25800 1481 1 3 . 1 1 83 83 ASN CB C 83 38.700 38.700 36.868 1.831 25800 1482 1 3 . 1 1 83 83 ASN H H 83 8.110 8.110 8.041 0.069 25800 1483 1 3 . 1 1 84 84 ALA N N 84 123.700 123.700 122.113 1.587 25800 1484 1 3 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.833 -0.753 25800 1485 1 3 . 1 1 84 84 ALA C C 84 177.100 177.100 176.114 0.986 25800 1486 1 3 . 1 1 84 84 ALA CA C 84 52.400 52.400 52.165 0.235 25800 1487 1 3 . 1 1 84 84 ALA CB C 84 19.100 19.100 20.396 -1.296 25800 1488 1 3 . 1 1 84 84 ALA H H 84 8.020 8.020 7.560 0.460 25800 1489 1 3 . 1 1 85 85 ARG N N 85 120.200 120.200 120.521 -0.321 25800 1490 1 3 . 1 1 85 85 ARG HA H 85 4.150 4.150 4.446 -0.296 25800 1491 1 3 . 1 1 85 85 ARG C C 85 175.200 175.200 174.869 0.331 25800 1492 1 3 . 1 1 85 85 ARG CA C 85 56.000 56.000 56.012 -0.012 25800 1493 1 3 . 1 1 85 85 ARG CB C 85 30.800 30.800 31.688 -0.888 25800 1494 1 3 . 1 1 85 85 ARG H H 85 8.040 8.040 8.564 -0.524 25800 1495 1 4 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.416 0.174 25800 1496 1 4 . 1 1 0 0 HIS C C 0 174.000 174.000 175.620 -1.620 25800 1497 1 4 . 1 1 0 0 HIS CA C 0 55.300 55.300 57.090 -1.790 25800 1498 1 4 . 1 1 0 0 HIS CB C 0 29.300 29.300 30.038 -0.738 25800 1499 1 4 . 1 1 1 1 MET N N 1 122.400 122.400 120.118 2.282 25800 1500 1 4 . 1 1 1 1 MET HA H 1 4.340 4.340 4.055 0.285 25800 1501 1 4 . 1 1 1 1 MET C C 1 175.600 175.600 175.436 0.164 25800 1502 1 4 . 1 1 1 1 MET CA C 1 55.600 55.600 55.774 -0.174 25800 1503 1 4 . 1 1 1 1 MET CB C 1 32.800 32.800 30.352 2.448 25800 1504 1 4 . 1 1 1 1 MET H H 1 8.310 8.310 8.592 -0.282 25800 1505 1 4 . 1 1 2 2 VAL N N 2 123.200 123.200 117.507 5.693 25800 1506 1 4 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.132 -0.172 25800 1507 1 4 . 1 1 2 2 VAL C C 2 175.600 175.600 176.542 -0.942 25800 1508 1 4 . 1 1 2 2 VAL CA C 2 62.300 62.300 62.309 -0.009 25800 1509 1 4 . 1 1 2 2 VAL CB C 2 32.300 32.300 30.134 2.166 25800 1510 1 4 . 1 1 2 2 VAL H H 2 8.180 8.180 8.178 0.002 25800 1511 1 4 . 1 1 3 3 ILE N N 3 126.200 126.200 123.473 2.727 25800 1512 1 4 . 1 1 3 3 ILE HA H 3 4.050 4.050 3.835 0.215 25800 1513 1 4 . 1 1 3 3 ILE C C 3 175.800 175.800 177.512 -1.712 25800 1514 1 4 . 1 1 3 3 ILE CA C 3 60.700 60.700 64.177 -3.477 25800 1515 1 4 . 1 1 3 3 ILE CB C 3 38.300 38.300 37.702 0.598 25800 1516 1 4 . 1 1 3 3 ILE H H 3 8.230 8.230 7.737 0.493 25800 1517 1 4 . 1 1 4 4 ARG N N 4 126.100 126.100 121.724 4.376 25800 1518 1 4 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.136 0.044 25800 1519 1 4 . 1 1 4 4 ARG C C 4 175.900 175.900 176.549 -0.649 25800 1520 1 4 . 1 1 4 4 ARG CA C 4 56.000 56.000 58.012 -2.012 25800 1521 1 4 . 1 1 4 4 ARG CB C 4 30.700 30.700 29.054 1.646 25800 1522 1 4 . 1 1 4 4 ARG H H 4 8.360 8.360 8.253 0.107 25800 1523 1 4 . 1 1 5 5 GLU N N 5 122.200 122.200 119.716 2.484 25800 1524 1 4 . 1 1 5 5 GLU HA H 5 4.140 4.140 4.459 -0.319 25800 1525 1 4 . 1 1 5 5 GLU C C 5 176.100 176.100 175.732 0.368 25800 1526 1 4 . 1 1 5 5 GLU CA C 5 56.600 56.600 55.448 1.152 25800 1527 1 4 . 1 1 5 5 GLU CB C 5 30.300 30.300 29.741 0.559 25800 1528 1 4 . 1 1 5 5 GLU H H 5 8.400 8.400 7.807 0.593 25800 1529 1 4 . 1 1 6 6 SER N N 6 116.200 116.200 116.292 -0.092 25800 1530 1 4 . 1 1 6 6 SER HA H 6 4.350 4.350 4.348 0.002 25800 1531 1 4 . 1 1 6 6 SER C C 6 174.300 174.300 174.078 0.222 25800 1532 1 4 . 1 1 6 6 SER CA C 6 58.200 58.200 59.766 -1.566 25800 1533 1 4 . 1 1 6 6 SER CB C 6 63.800 63.800 63.840 -0.040 25800 1534 1 4 . 1 1 6 6 SER H H 6 8.270 8.270 7.715 0.555 25800 1535 1 4 . 1 1 7 7 VAL N N 7 119.800 119.800 121.538 -1.738 25800 1536 1 4 . 1 1 7 7 VAL HA H 7 4.300 4.300 4.250 0.050 25800 1537 1 4 . 1 1 7 7 VAL C C 7 175.500 175.500 174.707 0.793 25800 1538 1 4 . 1 1 7 7 VAL CA C 7 61.700 61.700 62.175 -0.475 25800 1539 1 4 . 1 1 7 7 VAL CB C 7 32.800 32.800 33.897 -1.097 25800 1540 1 4 . 1 1 7 7 VAL H H 7 7.840 7.840 8.325 -0.485 25800 1541 1 4 . 1 1 8 8 SER N N 8 117.800 117.800 124.598 -6.798 25800 1542 1 4 . 1 1 8 8 SER HA H 8 4.240 4.240 4.852 -0.612 25800 1543 1 4 . 1 1 8 8 SER C C 8 172.500 172.500 173.403 -0.903 25800 1544 1 4 . 1 1 8 8 SER CA C 8 58.500 58.500 57.925 0.575 25800 1545 1 4 . 1 1 8 8 SER CB C 8 63.600 63.600 63.135 0.466 25800 1546 1 4 . 1 1 8 8 SER H H 8 8.530 8.530 8.764 -0.234 25800 1547 1 4 . 1 1 9 9 ARG N N 9 123.000 123.000 123.714 -0.714 25800 1548 1 4 . 1 1 9 9 ARG HA H 9 5.500 5.500 5.084 0.416 25800 1549 1 4 . 1 1 9 9 ARG C C 9 175.000 175.000 175.121 -0.121 25800 1550 1 4 . 1 1 9 9 ARG CA C 9 54.300 54.300 54.152 0.148 25800 1551 1 4 . 1 1 9 9 ARG CB C 9 33.400 33.400 32.607 0.793 25800 1552 1 4 . 1 1 9 9 ARG H H 9 7.350 7.350 8.017 -0.667 25800 1553 1 4 . 1 1 10 10 ILE N N 10 114.000 114.000 120.777 -6.777 25800 1554 1 4 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.188 0.632 25800 1555 1 4 . 1 1 10 10 ILE C C 10 173.000 173.000 175.041 -2.041 25800 1556 1 4 . 1 1 10 10 ILE CA C 10 59.400 59.400 61.472 -2.072 25800 1557 1 4 . 1 1 10 10 ILE CB C 10 40.900 40.900 38.782 2.118 25800 1558 1 4 . 1 1 10 10 ILE H H 10 8.830 8.830 8.547 0.283 25800 1559 1 4 . 1 1 11 11 TYR N N 11 123.400 123.400 127.735 -4.335 25800 1560 1 4 . 1 1 11 11 TYR HA H 11 4.930 4.930 4.998 -0.068 25800 1561 1 4 . 1 1 11 11 TYR C C 11 173.000 173.000 173.462 -0.462 25800 1562 1 4 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.514 0.486 25800 1563 1 4 . 1 1 11 11 TYR CB C 11 40.900 40.900 41.676 -0.776 25800 1564 1 4 . 1 1 11 11 TYR H H 11 8.690 8.690 8.207 0.483 25800 1565 1 4 . 1 1 12 12 VAL N N 12 126.300 126.300 120.822 5.478 25800 1566 1 4 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.443 0.117 25800 1567 1 4 . 1 1 12 12 VAL C C 12 174.100 174.100 173.598 0.502 25800 1568 1 4 . 1 1 12 12 VAL CA C 12 60.200 60.200 58.758 1.442 25800 1569 1 4 . 1 1 12 12 VAL CB C 12 33.400 33.400 35.410 -2.010 25800 1570 1 4 . 1 1 12 12 VAL H H 12 8.370 8.370 8.106 0.264 25800 1571 1 4 . 1 1 13 13 GLY N N 13 113.000 113.000 109.436 3.564 25800 1572 1 4 . 1 1 13 13 GLY C C 13 173.100 173.100 172.846 0.254 25800 1573 1 4 . 1 1 13 13 GLY CA C 13 43.300 43.300 44.592 -1.292 25800 1574 1 4 . 1 1 13 13 GLY H H 13 9.350 9.350 8.378 0.972 25800 1575 1 4 . 1 1 14 14 ASN N N 14 113.900 113.900 118.570 -4.670 25800 1576 1 4 . 1 1 14 14 ASN HA H 14 4.280 4.280 4.283 -0.003 25800 1577 1 4 . 1 1 14 14 ASN C C 14 175.800 175.800 174.908 0.892 25800 1578 1 4 . 1 1 14 14 ASN CA C 14 53.600 53.600 54.264 -0.664 25800 1579 1 4 . 1 1 14 14 ASN CB C 14 37.700 37.700 38.025 -0.325 25800 1580 1 4 . 1 1 14 14 ASN H H 14 8.800 8.800 8.780 0.020 25800 1581 1 4 . 1 1 15 15 LEU N N 15 115.800 115.800 118.948 -3.148 25800 1582 1 4 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.517 0.473 25800 1583 1 4 . 1 1 15 15 LEU CA C 15 55.600 55.600 53.629 1.972 25800 1584 1 4 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.719 -0.119 25800 1585 1 4 . 1 1 15 15 LEU H H 15 7.150 7.150 7.932 -0.782 25800 1586 1 4 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.580 -0.510 25800 1587 1 4 . 1 1 16 16 PRO C C 16 171.500 171.500 178.394 -6.894 25800 1588 1 4 . 1 1 16 16 PRO CA C 16 62.500 62.500 62.974 -0.474 25800 1589 1 4 . 1 1 16 16 PRO CB C 16 32.000 32.000 32.486 -0.486 25800 1590 1 4 . 1 1 17 17 SER N N 17 115.200 115.200 116.837 -1.637 25800 1591 1 4 . 1 1 17 17 SER HA H 17 4.300 4.300 4.048 0.252 25800 1592 1 4 . 1 1 17 17 SER C C 17 174.200 174.200 174.308 -0.108 25800 1593 1 4 . 1 1 17 17 SER CA C 17 58.200 58.200 59.178 -0.978 25800 1594 1 4 . 1 1 17 17 SER CB C 17 63.900 63.900 63.222 0.678 25800 1595 1 4 . 1 1 17 17 SER H H 17 8.470 8.470 8.685 -0.215 25800 1596 1 4 . 1 1 18 18 HIS N N 18 120.800 120.800 118.757 2.043 25800 1597 1 4 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.234 0.316 25800 1598 1 4 . 1 1 18 18 HIS C C 18 175.100 175.100 173.023 2.077 25800 1599 1 4 . 1 1 18 18 HIS CA C 18 55.500 55.500 57.742 -2.242 25800 1600 1 4 . 1 1 18 18 HIS CB C 18 29.300 29.300 29.845 -0.545 25800 1601 1 4 . 1 1 18 18 HIS H H 18 8.540 8.540 7.867 0.673 25800 1602 1 4 . 1 1 19 19 VAL N N 19 115.700 115.700 117.309 -1.609 25800 1603 1 4 . 1 1 19 19 VAL HA H 19 4.260 4.260 4.419 -0.159 25800 1604 1 4 . 1 1 19 19 VAL C C 19 174.000 174.000 174.577 -0.577 25800 1605 1 4 . 1 1 19 19 VAL CA C 19 61.900 61.900 60.843 1.057 25800 1606 1 4 . 1 1 19 19 VAL CB C 19 32.600 32.600 34.341 -1.741 25800 1607 1 4 . 1 1 19 19 VAL H H 19 6.650 6.650 7.328 -0.678 25800 1608 1 4 . 1 1 20 20 SER N N 20 118.800 118.800 120.506 -1.706 25800 1609 1 4 . 1 1 20 20 SER HA H 20 4.710 4.710 4.635 0.075 25800 1610 1 4 . 1 1 20 20 SER C C 20 175.900 175.900 175.815 0.085 25800 1611 1 4 . 1 1 20 20 SER CA C 20 55.800 55.800 57.364 -1.564 25800 1612 1 4 . 1 1 20 20 SER CB C 20 66.600 66.600 64.844 1.756 25800 1613 1 4 . 1 1 20 20 SER H H 20 8.930 8.930 8.263 0.667 25800 1614 1 4 . 1 1 21 21 SER N N 21 117.100 117.100 118.167 -1.067 25800 1615 1 4 . 1 1 21 21 SER HA H 21 3.880 3.880 4.086 -0.206 25800 1616 1 4 . 1 1 21 21 SER C C 21 176.200 176.200 176.681 -0.481 25800 1617 1 4 . 1 1 21 21 SER CA C 21 62.300 62.300 61.399 0.901 25800 1618 1 4 . 1 1 21 21 SER CB C 21 66.800 66.800 62.696 4.104 25800 1619 1 4 . 1 1 21 21 SER H H 21 9.080 9.080 8.879 0.201 25800 1620 1 4 . 1 1 22 22 ARG N N 22 121.200 121.200 121.522 -0.322 25800 1621 1 4 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.101 -0.111 25800 1622 1 4 . 1 1 22 22 ARG C C 22 177.900 177.900 178.467 -0.567 25800 1623 1 4 . 1 1 22 22 ARG CA C 22 58.700 58.700 58.939 -0.239 25800 1624 1 4 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.835 -0.235 25800 1625 1 4 . 1 1 22 22 ARG H H 22 7.940 7.940 8.402 -0.462 25800 1626 1 4 . 1 1 23 23 ASP N N 23 118.800 118.800 118.958 -0.158 25800 1627 1 4 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.572 -0.182 25800 1628 1 4 . 1 1 23 23 ASP C C 23 179.200 179.200 178.572 0.628 25800 1629 1 4 . 1 1 23 23 ASP CA C 23 57.300 57.300 57.487 -0.187 25800 1630 1 4 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.897 0.103 25800 1631 1 4 . 1 1 23 23 ASP H H 23 7.480 7.480 7.534 -0.054 25800 1632 1 4 . 1 1 24 24 VAL N N 24 119.500 119.500 120.387 -0.887 25800 1633 1 4 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.743 -0.373 25800 1634 1 4 . 1 1 24 24 VAL C C 24 177.500 177.500 177.517 -0.017 25800 1635 1 4 . 1 1 24 24 VAL CA C 24 66.900 66.900 67.263 -0.363 25800 1636 1 4 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.764 -0.364 25800 1637 1 4 . 1 1 24 24 VAL H H 24 7.450 7.450 8.311 -0.861 25800 1638 1 4 . 1 1 25 25 GLU N N 25 121.400 121.400 120.022 1.378 25800 1639 1 4 . 1 1 25 25 GLU HA H 25 3.570 3.570 3.948 -0.378 25800 1640 1 4 . 1 1 25 25 GLU C C 25 178.400 178.400 178.365 0.035 25800 1641 1 4 . 1 1 25 25 GLU CA C 25 60.600 60.600 60.074 0.526 25800 1642 1 4 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.522 0.078 25800 1643 1 4 . 1 1 25 25 GLU H H 25 8.580 8.580 7.838 0.742 25800 1644 1 4 . 1 1 26 26 ASN N N 26 114.800 114.800 117.350 -2.550 25800 1645 1 4 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.495 -0.175 25800 1646 1 4 . 1 1 26 26 ASN C C 26 177.400 177.400 177.502 -0.102 25800 1647 1 4 . 1 1 26 26 ASN CA C 26 55.900 55.900 55.974 -0.074 25800 1648 1 4 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.662 -0.762 25800 1649 1 4 . 1 1 26 26 ASN H H 26 8.180 8.180 7.613 0.567 25800 1650 1 4 . 1 1 27 27 GLU N N 27 118.900 118.900 119.573 -0.673 25800 1651 1 4 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.205 -0.065 25800 1652 1 4 . 1 1 27 27 GLU C C 27 176.400 176.400 178.935 -2.535 25800 1653 1 4 . 1 1 27 27 GLU CA C 27 57.400 57.400 58.859 -1.459 25800 1654 1 4 . 1 1 27 27 GLU CB C 27 29.400 29.400 30.117 -0.717 25800 1655 1 4 . 1 1 27 27 GLU H H 27 7.340 7.340 8.326 -0.986 25800 1656 1 4 . 1 1 28 28 PHE N N 28 114.100 114.100 118.737 -4.637 25800 1657 1 4 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.539 0.011 25800 1658 1 4 . 1 1 28 28 PHE C C 28 176.300 176.300 178.437 -2.137 25800 1659 1 4 . 1 1 28 28 PHE CA C 28 60.000 60.000 61.011 -1.011 25800 1660 1 4 . 1 1 28 28 PHE CB C 28 40.800 40.800 39.050 1.750 25800 1661 1 4 . 1 1 28 28 PHE H H 28 7.660 7.660 8.332 -0.671 25800 1662 1 4 . 1 1 29 29 ARG N N 29 121.700 121.700 119.417 2.283 25800 1663 1 4 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.366 0.044 25800 1664 1 4 . 1 1 29 29 ARG C C 29 177.100 177.100 177.167 -0.067 25800 1665 1 4 . 1 1 29 29 ARG CA C 29 58.200 58.200 58.566 -0.366 25800 1666 1 4 . 1 1 29 29 ARG CB C 29 29.300 29.300 30.295 -0.995 25800 1667 1 4 . 1 1 29 29 ARG H H 29 8.120 8.120 8.147 -0.027 25800 1668 1 4 . 1 1 30 30 LYS N N 30 117.200 117.200 117.378 -0.178 25800 1669 1 4 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.152 -0.322 25800 1670 1 4 . 1 1 30 30 LYS C C 30 177.100 177.100 177.833 -0.733 25800 1671 1 4 . 1 1 30 30 LYS CA C 30 57.800 57.800 57.713 0.087 25800 1672 1 4 . 1 1 30 30 LYS CB C 30 31.100 31.100 32.032 -0.932 25800 1673 1 4 . 1 1 30 30 LYS H H 30 7.630 7.630 7.682 -0.052 25800 1674 1 4 . 1 1 31 31 TYR N N 31 117.100 117.100 117.238 -0.138 25800 1675 1 4 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.557 -0.407 25800 1676 1 4 . 1 1 31 31 TYR C C 31 174.400 174.400 175.258 -0.858 25800 1677 1 4 . 1 1 31 31 TYR CA C 31 59.900 59.900 59.528 0.372 25800 1678 1 4 . 1 1 31 31 TYR CB C 31 37.900 37.900 40.582 -2.682 25800 1679 1 4 . 1 1 31 31 TYR H H 31 7.410 7.410 7.955 -0.545 25800 1680 1 4 . 1 1 32 32 GLY N N 32 104.100 104.100 103.508 0.592 25800 1681 1 4 . 1 1 32 32 GLY C C 32 177.000 177.000 171.767 5.233 25800 1682 1 4 . 1 1 32 32 GLY CA C 32 44.500 44.500 44.061 0.439 25800 1683 1 4 . 1 1 32 32 GLY H H 32 7.240 7.240 7.270 -0.030 25800 1684 1 4 . 1 1 33 33 ASN N N 33 115.300 115.300 119.534 -4.234 25800 1685 1 4 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.684 -0.244 25800 1686 1 4 . 1 1 33 33 ASN C C 33 175.500 175.500 175.272 0.228 25800 1687 1 4 . 1 1 33 33 ASN CA C 33 54.300 54.300 52.984 1.316 25800 1688 1 4 . 1 1 33 33 ASN CB C 33 38.400 38.400 37.997 0.403 25800 1689 1 4 . 1 1 33 33 ASN H H 33 8.460 8.460 8.445 0.015 25800 1690 1 4 . 1 1 34 34 ILE N N 34 126.700 126.700 126.516 0.184 25800 1691 1 4 . 1 1 34 34 ILE HA H 34 3.790 3.790 4.472 -0.682 25800 1692 1 4 . 1 1 34 34 ILE C C 34 175.600 175.600 176.185 -0.585 25800 1693 1 4 . 1 1 34 34 ILE CA C 34 61.300 61.300 61.793 -0.493 25800 1694 1 4 . 1 1 34 34 ILE CB C 34 40.000 40.000 37.633 2.367 25800 1695 1 4 . 1 1 34 34 ILE H H 34 8.050 8.050 8.413 -0.363 25800 1696 1 4 . 1 1 35 35 LEU N N 35 127.400 127.400 128.999 -1.599 25800 1697 1 4 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.392 -0.232 25800 1698 1 4 . 1 1 35 35 LEU C C 35 177.200 177.200 176.640 0.560 25800 1699 1 4 . 1 1 35 35 LEU CA C 35 55.500 55.500 55.854 -0.354 25800 1700 1 4 . 1 1 35 35 LEU CB C 35 42.700 42.700 42.836 -0.136 25800 1701 1 4 . 1 1 35 35 LEU H H 35 8.780 8.780 9.195 -0.415 25800 1702 1 4 . 1 1 36 36 LYS N N 36 117.000 117.000 116.958 0.042 25800 1703 1 4 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.617 -0.377 25800 1704 1 4 . 1 1 36 36 LYS C C 36 173.600 173.600 174.201 -0.601 25800 1705 1 4 . 1 1 36 36 LYS CA C 36 55.900 55.900 55.544 0.356 25800 1706 1 4 . 1 1 36 36 LYS CB C 36 36.600 36.600 36.389 0.211 25800 1707 1 4 . 1 1 36 36 LYS H H 36 7.110 7.110 7.537 -0.427 25800 1708 1 4 . 1 1 37 37 CYS N N 37 125.400 125.400 118.027 7.373 25800 1709 1 4 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.570 -0.870 25800 1710 1 4 . 1 1 37 37 CYS C C 37 171.600 171.600 173.099 -1.499 25800 1711 1 4 . 1 1 37 37 CYS CA C 37 57.900 57.900 55.783 2.117 25800 1712 1 4 . 1 1 37 37 CYS CB C 37 27.100 27.100 31.771 -4.671 25800 1713 1 4 . 1 1 37 37 CYS H H 37 8.610 8.610 8.477 0.133 25800 1714 1 4 . 1 1 38 38 ASP N N 38 128.200 128.200 119.582 8.618 25800 1715 1 4 . 1 1 38 38 ASP HA H 38 4.950 4.950 4.910 0.040 25800 1716 1 4 . 1 1 38 38 ASP C C 38 174.300 174.300 173.683 0.617 25800 1717 1 4 . 1 1 38 38 ASP CA C 38 53.200 53.200 54.363 -1.163 25800 1718 1 4 . 1 1 38 38 ASP CB C 38 44.300 44.300 44.943 -0.643 25800 1719 1 4 . 1 1 38 38 ASP H H 38 8.290 8.290 8.782 -0.492 25800 1720 1 4 . 1 1 39 39 VAL N N 39 123.500 123.500 119.707 3.793 25800 1721 1 4 . 1 1 39 39 VAL HA H 39 4.300 4.300 5.147 -0.847 25800 1722 1 4 . 1 1 39 39 VAL C C 39 175.000 175.000 174.186 0.814 25800 1723 1 4 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.910 0.791 25800 1724 1 4 . 1 1 39 39 VAL CB C 39 33.100 33.100 35.178 -2.078 25800 1725 1 4 . 1 1 39 39 VAL H H 39 8.380 8.380 8.402 -0.022 25800 1726 1 4 . 1 1 40 40 LYS N N 40 129.100 129.100 127.294 1.806 25800 1727 1 4 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.920 -0.600 25800 1728 1 4 . 1 1 40 40 LYS C C 40 173.700 173.700 174.321 -0.621 25800 1729 1 4 . 1 1 40 40 LYS CA C 40 53.900 53.900 54.149 -0.249 25800 1730 1 4 . 1 1 40 40 LYS CB C 40 35.500 35.500 36.551 -1.051 25800 1731 1 4 . 1 1 40 40 LYS H H 40 8.680 8.680 9.369 -0.689 25800 1732 1 4 . 1 1 41 41 LYS N N 41 117.300 117.300 118.905 -1.605 25800 1733 1 4 . 1 1 41 41 LYS HA H 41 4.980 4.980 4.585 0.395 25800 1734 1 4 . 1 1 41 41 LYS C C 41 177.800 177.800 175.230 2.570 25800 1735 1 4 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.583 0.017 25800 1736 1 4 . 1 1 41 41 LYS CB C 41 35.000 35.000 34.626 0.374 25800 1737 1 4 . 1 1 41 41 LYS H H 41 7.900 7.900 8.388 -0.488 25800 1738 1 4 . 1 1 42 42 THR N N 42 113.200 113.200 114.869 -1.669 25800 1739 1 4 . 1 1 42 42 THR HA H 42 4.680 4.680 4.590 0.090 25800 1740 1 4 . 1 1 42 42 THR C C 42 176.900 176.900 176.648 0.252 25800 1741 1 4 . 1 1 42 42 THR CA C 42 60.200 60.200 61.208 -1.008 25800 1742 1 4 . 1 1 42 42 THR CB C 42 71.600 71.600 70.735 0.865 25800 1743 1 4 . 1 1 42 42 THR H H 42 8.730 8.730 8.052 0.678 25800 1744 1 4 . 1 1 43 43 VAL N N 43 120.000 120.000 121.676 -1.676 25800 1745 1 4 . 1 1 43 43 VAL HA H 43 3.920 3.920 3.947 -0.027 25800 1746 1 4 . 1 1 43 43 VAL C C 43 177.000 177.000 176.661 0.339 25800 1747 1 4 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.361 0.339 25800 1748 1 4 . 1 1 43 43 VAL CB C 43 31.800 31.800 31.619 0.181 25800 1749 1 4 . 1 1 43 43 VAL H H 43 8.730 8.730 8.400 0.330 25800 1750 1 4 . 1 1 44 44 SER N N 44 113.400 113.400 115.441 -2.041 25800 1751 1 4 . 1 1 44 44 SER HA H 44 4.360 4.360 4.383 -0.023 25800 1752 1 4 . 1 1 44 44 SER C C 44 174.800 174.800 175.280 -0.480 25800 1753 1 4 . 1 1 44 44 SER CA C 44 58.400 58.400 58.373 0.027 25800 1754 1 4 . 1 1 44 44 SER CB C 44 63.500 63.500 63.204 0.296 25800 1755 1 4 . 1 1 44 44 SER H H 44 7.760 7.760 7.980 -0.220 25800 1756 1 4 . 1 1 45 45 GLY N N 45 110.200 110.200 108.662 1.538 25800 1757 1 4 . 1 1 45 45 GLY C C 45 173.500 173.500 173.685 -0.185 25800 1758 1 4 . 1 1 45 45 GLY CA C 45 45.300 45.300 45.335 -0.035 25800 1759 1 4 . 1 1 45 45 GLY H H 45 7.820 7.820 7.649 0.171 25800 1760 1 4 . 1 1 46 46 ALA N N 46 123.900 123.900 123.683 0.217 25800 1761 1 4 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.233 0.157 25800 1762 1 4 . 1 1 46 46 ALA C C 46 176.100 176.100 176.021 0.079 25800 1763 1 4 . 1 1 46 46 ALA CA C 46 51.900 51.900 51.771 0.129 25800 1764 1 4 . 1 1 46 46 ALA CB C 46 19.800 19.800 19.656 0.144 25800 1765 1 4 . 1 1 46 46 ALA H H 46 7.440 7.440 7.780 -0.340 25800 1766 1 4 . 1 1 47 47 ALA N N 47 123.100 123.100 126.867 -3.767 25800 1767 1 4 . 1 1 47 47 ALA HA H 47 5.200 5.200 4.548 0.652 25800 1768 1 4 . 1 1 47 47 ALA C C 47 176.100 176.100 176.014 0.086 25800 1769 1 4 . 1 1 47 47 ALA CA C 47 50.900 50.900 50.906 -0.006 25800 1770 1 4 . 1 1 47 47 ALA CB C 47 21.900 21.900 20.521 1.379 25800 1771 1 4 . 1 1 47 47 ALA H H 47 8.350 8.350 8.431 -0.081 25800 1772 1 4 . 1 1 48 48 PHE N N 48 118.700 118.700 117.555 1.145 25800 1773 1 4 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.450 -0.420 25800 1774 1 4 . 1 1 48 48 PHE C C 48 171.600 171.600 174.185 -2.585 25800 1775 1 4 . 1 1 48 48 PHE CA C 48 55.700 55.700 55.349 0.351 25800 1776 1 4 . 1 1 48 48 PHE CB C 48 41.200 41.200 43.192 -1.992 25800 1777 1 4 . 1 1 48 48 PHE H H 48 8.550 8.550 8.716 -0.166 25800 1778 1 4 . 1 1 49 49 ALA N N 49 120.400 120.400 122.334 -1.934 25800 1779 1 4 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.326 0.004 25800 1780 1 4 . 1 1 49 49 ALA C C 49 175.500 175.500 174.648 0.852 25800 1781 1 4 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.392 -1.092 25800 1782 1 4 . 1 1 49 49 ALA CB C 49 23.700 23.700 22.652 1.048 25800 1783 1 4 . 1 1 49 49 ALA H H 49 9.240 9.240 8.868 0.372 25800 1784 1 4 . 1 1 50 50 PHE N N 50 115.000 115.000 118.113 -3.113 25800 1785 1 4 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.381 0.219 25800 1786 1 4 . 1 1 50 50 PHE C C 50 176.000 176.000 174.192 1.808 25800 1787 1 4 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.370 0.130 25800 1788 1 4 . 1 1 50 50 PHE CB C 50 42.200 42.200 43.536 -1.336 25800 1789 1 4 . 1 1 50 50 PHE H H 50 7.920 7.920 8.870 -0.950 25800 1790 1 4 . 1 1 51 51 ILE N N 51 123.000 123.000 120.485 2.515 25800 1791 1 4 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.461 -0.011 25800 1792 1 4 . 1 1 51 51 ILE C C 51 173.700 173.700 174.156 -0.456 25800 1793 1 4 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.250 -0.050 25800 1794 1 4 . 1 1 51 51 ILE CB C 51 40.700 40.700 41.404 -0.704 25800 1795 1 4 . 1 1 51 51 ILE H H 51 8.490 8.490 8.214 0.276 25800 1796 1 4 . 1 1 52 52 GLU N N 52 126.600 126.600 126.153 0.447 25800 1797 1 4 . 1 1 52 52 GLU HA H 52 4.770 4.770 4.818 -0.048 25800 1798 1 4 . 1 1 52 52 GLU C C 52 175.300 175.300 174.969 0.331 25800 1799 1 4 . 1 1 52 52 GLU CA C 52 54.700 54.700 54.390 0.310 25800 1800 1 4 . 1 1 52 52 GLU CB C 52 31.500 31.500 31.758 -0.258 25800 1801 1 4 . 1 1 52 52 GLU H H 52 8.610 8.610 8.770 -0.160 25800 1802 1 4 . 1 1 53 53 PHE N N 53 126.100 126.100 124.546 1.554 25800 1803 1 4 . 1 1 53 53 PHE HA H 53 4.800 4.800 5.399 -0.599 25800 1804 1 4 . 1 1 53 53 PHE C C 53 175.400 175.400 177.036 -1.636 25800 1805 1 4 . 1 1 53 53 PHE CA C 53 58.200 58.200 55.230 2.970 25800 1806 1 4 . 1 1 53 53 PHE CB C 53 40.900 40.900 41.726 -0.826 25800 1807 1 4 . 1 1 53 53 PHE H H 53 8.800 8.800 7.764 1.036 25800 1808 1 4 . 1 1 54 54 GLU N N 54 120.700 120.700 122.692 -1.992 25800 1809 1 4 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.076 -0.146 25800 1810 1 4 . 1 1 54 54 GLU C C 54 175.300 175.300 177.524 -2.224 25800 1811 1 4 . 1 1 54 54 GLU CA C 54 59.100 59.100 59.424 -0.324 25800 1812 1 4 . 1 1 54 54 GLU CB C 54 30.800 30.800 29.717 1.083 25800 1813 1 4 . 1 1 54 54 GLU H H 54 8.160 8.160 8.766 -0.606 25800 1814 1 4 . 1 1 55 55 ASP N N 55 117.900 117.900 121.417 -3.517 25800 1815 1 4 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.661 0.259 25800 1816 1 4 . 1 1 55 55 ASP C C 55 176.400 176.400 176.069 0.331 25800 1817 1 4 . 1 1 55 55 ASP CA C 55 52.400 52.400 53.933 -1.533 25800 1818 1 4 . 1 1 55 55 ASP CB C 55 44.400 44.400 39.336 5.064 25800 1819 1 4 . 1 1 55 55 ASP H H 55 8.740 8.740 8.279 0.461 25800 1820 1 4 . 1 1 56 56 ALA N N 56 128.900 128.900 123.960 4.940 25800 1821 1 4 . 1 1 56 56 ALA HA H 56 3.830 3.830 3.684 0.146 25800 1822 1 4 . 1 1 56 56 ALA C C 56 179.800 179.800 178.852 0.948 25800 1823 1 4 . 1 1 56 56 ALA CA C 56 55.200 55.200 55.281 -0.081 25800 1824 1 4 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.233 0.667 25800 1825 1 4 . 1 1 56 56 ALA H H 56 8.800 8.800 8.078 0.722 25800 1826 1 4 . 1 1 57 57 ARG N N 57 119.200 119.200 116.085 3.115 25800 1827 1 4 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.164 -0.274 25800 1828 1 4 . 1 1 57 57 ARG C C 57 178.000 178.000 177.230 0.770 25800 1829 1 4 . 1 1 57 57 ARG CA C 57 58.900 58.900 58.314 0.586 25800 1830 1 4 . 1 1 57 57 ARG CB C 57 29.300 29.300 28.990 0.310 25800 1831 1 4 . 1 1 57 57 ARG H H 57 8.950 8.950 8.462 0.488 25800 1832 1 4 . 1 1 58 58 ASP N N 58 120.900 120.900 120.252 0.648 25800 1833 1 4 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.586 -0.496 25800 1834 1 4 . 1 1 58 58 ASP C C 58 176.700 176.700 178.181 -1.481 25800 1835 1 4 . 1 1 58 58 ASP CA C 58 56.500 56.500 56.478 0.022 25800 1836 1 4 . 1 1 58 58 ASP CB C 58 39.900 39.900 41.383 -1.483 25800 1837 1 4 . 1 1 58 58 ASP H H 58 7.020 7.020 7.711 -0.691 25800 1838 1 4 . 1 1 59 59 ALA N N 59 119.700 119.700 122.151 -2.451 25800 1839 1 4 . 1 1 59 59 ALA HA H 59 3.080 3.080 4.425 -1.345 25800 1840 1 4 . 1 1 59 59 ALA C C 59 178.100 178.100 179.295 -1.195 25800 1841 1 4 . 1 1 59 59 ALA CA C 59 54.300 54.300 54.481 -0.181 25800 1842 1 4 . 1 1 59 59 ALA CB C 59 18.400 18.400 18.643 -0.243 25800 1843 1 4 . 1 1 59 59 ALA H H 59 6.440 6.440 8.214 -1.774 25800 1844 1 4 . 1 1 60 60 ALA N N 60 117.600 117.600 121.544 -3.944 25800 1845 1 4 . 1 1 60 60 ALA HA H 60 3.830 3.830 4.165 -0.335 25800 1846 1 4 . 1 1 60 60 ALA C C 60 180.900 180.900 179.154 1.746 25800 1847 1 4 . 1 1 60 60 ALA CA C 60 54.900 54.900 55.538 -0.638 25800 1848 1 4 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.384 -0.684 25800 1849 1 4 . 1 1 60 60 ALA H H 60 7.330 7.330 8.124 -0.794 25800 1850 1 4 . 1 1 61 61 ASP N N 61 120.100 120.100 118.554 1.546 25800 1851 1 4 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.401 -0.191 25800 1852 1 4 . 1 1 61 61 ASP C C 61 176.700 176.700 177.851 -1.151 25800 1853 1 4 . 1 1 61 61 ASP CA C 61 57.100 57.100 57.154 -0.054 25800 1854 1 4 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.689 -0.589 25800 1855 1 4 . 1 1 61 61 ASP H H 61 7.590 7.590 7.870 -0.280 25800 1856 1 4 . 1 1 62 62 ALA N N 62 122.200 122.200 120.734 1.466 25800 1857 1 4 . 1 1 62 62 ALA HA H 62 2.420 2.420 4.045 -1.625 25800 1858 1 4 . 1 1 62 62 ALA C C 62 179.300 179.300 178.722 0.578 25800 1859 1 4 . 1 1 62 62 ALA CA C 62 54.600 54.600 54.156 0.445 25800 1860 1 4 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.547 0.553 25800 1861 1 4 . 1 1 62 62 ALA H H 62 7.440 7.440 7.731 -0.291 25800 1862 1 4 . 1 1 63 63 ILE N N 63 116.700 116.700 118.572 -1.872 25800 1863 1 4 . 1 1 63 63 ILE HA H 63 3.240 3.240 4.345 -1.105 25800 1864 1 4 . 1 1 63 63 ILE C C 63 177.800 177.800 178.184 -0.384 25800 1865 1 4 . 1 1 63 63 ILE CA C 63 65.600 65.600 63.006 2.594 25800 1866 1 4 . 1 1 63 63 ILE CB C 63 38.900 38.900 38.370 0.530 25800 1867 1 4 . 1 1 63 63 ILE H H 63 7.540 7.540 8.116 -0.576 25800 1868 1 4 . 1 1 64 64 LYS N N 64 117.400 117.400 120.214 -2.814 25800 1869 1 4 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.097 -0.197 25800 1870 1 4 . 1 1 64 64 LYS C C 64 178.900 178.900 178.821 0.079 25800 1871 1 4 . 1 1 64 64 LYS CA C 64 58.800 58.800 58.687 0.113 25800 1872 1 4 . 1 1 64 64 LYS CB C 64 32.600 32.600 31.178 1.422 25800 1873 1 4 . 1 1 64 64 LYS H H 64 7.490 7.490 8.561 -1.071 25800 1874 1 4 . 1 1 65 65 GLU N N 65 113.800 113.800 118.310 -4.510 25800 1875 1 4 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.094 0.066 25800 1876 1 4 . 1 1 65 65 GLU C C 65 178.300 178.300 177.495 0.805 25800 1877 1 4 . 1 1 65 65 GLU CA C 65 58.300 58.300 58.629 -0.329 25800 1878 1 4 . 1 1 65 65 GLU CB C 65 30.700 30.700 28.976 1.724 25800 1879 1 4 . 1 1 65 65 GLU H H 65 7.960 7.960 7.809 0.151 25800 1880 1 4 . 1 1 66 66 LYS N N 66 114.700 114.700 117.158 -2.458 25800 1881 1 4 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.423 0.047 25800 1882 1 4 . 1 1 66 66 LYS C C 66 177.500 177.500 176.687 0.813 25800 1883 1 4 . 1 1 66 66 LYS CA C 66 54.400 54.400 55.705 -1.304 25800 1884 1 4 . 1 1 66 66 LYS CB C 66 33.000 33.000 31.823 1.177 25800 1885 1 4 . 1 1 66 66 LYS H H 66 8.050 8.050 7.912 0.138 25800 1886 1 4 . 1 1 67 67 ASP N N 67 118.800 118.800 120.313 -1.513 25800 1887 1 4 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.485 -0.265 25800 1888 1 4 . 1 1 67 67 ASP C C 67 177.700 177.700 177.714 -0.014 25800 1889 1 4 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.429 3.971 25800 1890 1 4 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.274 0.126 25800 1891 1 4 . 1 1 67 67 ASP H H 67 7.620 7.620 7.557 0.063 25800 1892 1 4 . 1 1 68 68 GLY N N 68 115.600 115.600 107.976 7.624 25800 1893 1 4 . 1 1 68 68 GLY C C 68 173.800 173.800 175.031 -1.231 25800 1894 1 4 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.874 1.026 25800 1895 1 4 . 1 1 68 68 GLY H H 68 8.470 8.470 8.685 -0.215 25800 1896 1 4 . 1 1 69 69 CYS N N 69 119.200 119.200 119.313 -0.113 25800 1897 1 4 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.571 -0.411 25800 1898 1 4 . 1 1 69 69 CYS C C 69 172.600 172.600 174.605 -2.005 25800 1899 1 4 . 1 1 69 69 CYS CA C 69 58.000 58.000 57.966 0.034 25800 1900 1 4 . 1 1 69 69 CYS CB C 69 28.700 28.700 28.542 0.158 25800 1901 1 4 . 1 1 69 69 CYS H H 69 7.890 7.890 8.122 -0.232 25800 1902 1 4 . 1 1 70 70 ASP N N 70 122.200 122.200 123.366 -1.166 25800 1903 1 4 . 1 1 70 70 ASP HA H 70 4.830 4.830 5.142 -0.312 25800 1904 1 4 . 1 1 70 70 ASP C C 70 176.400 176.400 174.461 1.939 25800 1905 1 4 . 1 1 70 70 ASP CA C 70 54.700 54.700 53.669 1.031 25800 1906 1 4 . 1 1 70 70 ASP CB C 70 42.700 42.700 44.333 -1.633 25800 1907 1 4 . 1 1 70 70 ASP H H 70 8.360 8.360 8.909 -0.549 25800 1908 1 4 . 1 1 71 71 PHE N N 71 127.600 127.600 120.174 7.426 25800 1909 1 4 . 1 1 71 71 PHE HA H 71 4.600 4.600 5.117 -0.517 25800 1910 1 4 . 1 1 71 71 PHE C C 71 173.600 173.600 174.483 -0.883 25800 1911 1 4 . 1 1 71 71 PHE CA C 71 56.800 56.800 56.945 -0.145 25800 1912 1 4 . 1 1 71 71 PHE CB C 71 40.700 40.700 41.528 -0.827 25800 1913 1 4 . 1 1 71 71 PHE H H 71 9.390 9.390 8.135 1.255 25800 1914 1 4 . 1 1 72 72 GLU N N 72 123.900 123.900 120.084 3.816 25800 1915 1 4 . 1 1 72 72 GLU HA H 72 3.540 3.540 4.078 -0.538 25800 1916 1 4 . 1 1 72 72 GLU C C 72 175.500 175.500 176.979 -1.479 25800 1917 1 4 . 1 1 72 72 GLU CA C 72 56.700 56.700 56.751 -0.050 25800 1918 1 4 . 1 1 72 72 GLU CB C 72 27.300 27.300 29.620 -2.321 25800 1919 1 4 . 1 1 72 72 GLU H H 72 8.940 8.940 9.163 -0.223 25800 1920 1 4 . 1 1 73 73 GLY N N 73 105.200 105.200 114.776 -9.576 25800 1921 1 4 . 1 1 73 73 GLY C C 73 174.100 174.100 174.607 -0.507 25800 1922 1 4 . 1 1 73 73 GLY CA C 73 45.600 45.600 45.345 0.255 25800 1923 1 4 . 1 1 73 73 GLY H H 73 8.350 8.350 8.820 -0.470 25800 1924 1 4 . 1 1 74 74 ASN N N 74 121.000 121.000 122.568 -1.568 25800 1925 1 4 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.699 0.061 25800 1926 1 4 . 1 1 74 74 ASN C C 74 174.000 174.000 174.297 -0.297 25800 1927 1 4 . 1 1 74 74 ASN CA C 74 50.900 50.900 53.429 -2.529 25800 1928 1 4 . 1 1 74 74 ASN CB C 74 39.700 39.700 39.055 0.645 25800 1929 1 4 . 1 1 74 74 ASN H H 74 7.740 7.740 8.287 -0.547 25800 1930 1 4 . 1 1 75 75 LYS N N 75 121.400 121.400 116.573 4.827 25800 1931 1 4 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.941 -0.471 25800 1932 1 4 . 1 1 75 75 LYS C C 75 176.900 176.900 174.522 2.378 25800 1933 1 4 . 1 1 75 75 LYS CA C 75 55.300 55.300 55.633 -0.333 25800 1934 1 4 . 1 1 75 75 LYS CB C 75 31.900 31.900 34.330 -2.430 25800 1935 1 4 . 1 1 75 75 LYS H H 75 8.380 8.380 8.162 0.218 25800 1936 1 4 . 1 1 76 76 LEU N N 76 127.400 127.400 124.052 3.348 25800 1937 1 4 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.747 -0.317 25800 1938 1 4 . 1 1 76 76 LEU C C 76 177.600 177.600 174.525 3.075 25800 1939 1 4 . 1 1 76 76 LEU CA C 76 55.300 55.300 55.617 -0.317 25800 1940 1 4 . 1 1 76 76 LEU CB C 76 43.100 43.100 46.769 -3.668 25800 1941 1 4 . 1 1 76 76 LEU H H 76 8.950 8.950 9.116 -0.166 25800 1942 1 4 . 1 1 77 77 ARG N N 77 121.800 121.800 122.577 -0.777 25800 1943 1 4 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.804 0.096 25800 1944 1 4 . 1 1 77 77 ARG C C 77 174.700 174.700 173.491 1.209 25800 1945 1 4 . 1 1 77 77 ARG CA C 77 54.000 54.000 54.907 -0.907 25800 1946 1 4 . 1 1 77 77 ARG CB C 77 32.300 32.300 34.354 -2.054 25800 1947 1 4 . 1 1 77 77 ARG H H 77 7.530 7.530 8.894 -1.364 25800 1948 1 4 . 1 1 78 78 VAL N N 78 127.000 127.000 123.341 3.659 25800 1949 1 4 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.552 0.728 25800 1950 1 4 . 1 1 78 78 VAL C C 78 174.200 174.200 174.168 0.032 25800 1951 1 4 . 1 1 78 78 VAL CA C 78 61.200 61.200 61.090 0.111 25800 1952 1 4 . 1 1 78 78 VAL CB C 78 33.400 33.400 35.583 -2.183 25800 1953 1 4 . 1 1 78 78 VAL H H 78 9.660 9.660 8.501 1.159 25800 1954 1 4 . 1 1 79 79 GLU N N 79 121.900 121.900 123.910 -2.010 25800 1955 1 4 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.741 -0.031 25800 1956 1 4 . 1 1 79 79 GLU C C 79 174.600 174.600 174.025 0.575 25800 1957 1 4 . 1 1 79 79 GLU CA C 79 53.900 53.900 55.333 -1.433 25800 1958 1 4 . 1 1 79 79 GLU CB C 79 34.400 34.400 34.613 -0.213 25800 1959 1 4 . 1 1 79 79 GLU H H 79 8.980 8.980 8.532 0.448 25800 1960 1 4 . 1 1 80 80 VAL N N 80 121.300 121.300 122.635 -1.335 25800 1961 1 4 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.375 -0.005 25800 1962 1 4 . 1 1 80 80 VAL CA C 80 61.000 61.000 58.243 2.757 25800 1963 1 4 . 1 1 80 80 VAL CB C 80 32.100 32.100 34.261 -2.162 25800 1964 1 4 . 1 1 80 80 VAL H H 80 8.410 8.410 8.410 0.000 25800 1965 1 4 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.532 -0.272 25800 1966 1 4 . 1 1 81 81 PRO C C 81 176.100 176.100 175.805 0.295 25800 1967 1 4 . 1 1 81 81 PRO CA C 81 63.100 63.100 62.908 0.192 25800 1968 1 4 . 1 1 81 81 PRO CB C 81 32.100 32.100 29.969 2.131 25800 1969 1 4 . 1 1 82 82 PHE N N 82 122.200 122.200 113.609 8.591 25800 1970 1 4 . 1 1 82 82 PHE HA H 82 4.290 4.290 5.103 -0.813 25800 1971 1 4 . 1 1 82 82 PHE C C 82 175.300 175.300 175.191 0.109 25800 1972 1 4 . 1 1 82 82 PHE CA C 82 58.100 58.100 55.607 2.493 25800 1973 1 4 . 1 1 82 82 PHE CB C 82 39.400 39.400 38.367 1.033 25800 1974 1 4 . 1 1 82 82 PHE H H 82 8.150 8.150 7.272 0.878 25800 1975 1 4 . 1 1 83 83 ASN N N 83 120.800 120.800 120.833 -0.033 25800 1976 1 4 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.435 0.005 25800 1977 1 4 . 1 1 83 83 ASN C C 83 174.100 174.100 175.433 -1.333 25800 1978 1 4 . 1 1 83 83 ASN CA C 83 52.700 52.700 54.740 -2.040 25800 1979 1 4 . 1 1 83 83 ASN CB C 83 38.700 38.700 38.130 0.570 25800 1980 1 4 . 1 1 83 83 ASN H H 83 8.110 8.110 8.066 0.044 25800 1981 1 4 . 1 1 84 84 ALA N N 84 123.700 123.700 121.333 2.367 25800 1982 1 4 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.465 -0.385 25800 1983 1 4 . 1 1 84 84 ALA C C 84 177.100 177.100 177.226 -0.126 25800 1984 1 4 . 1 1 84 84 ALA CA C 84 52.400 52.400 50.813 1.587 25800 1985 1 4 . 1 1 84 84 ALA CB C 84 19.100 19.100 21.330 -2.230 25800 1986 1 4 . 1 1 84 84 ALA H H 84 8.020 8.020 7.470 0.550 25800 1987 1 4 . 1 1 85 85 ARG N N 85 120.200 120.200 121.310 -1.110 25800 1988 1 4 . 1 1 85 85 ARG HA H 85 4.150 4.150 4.210 -0.060 25800 1989 1 4 . 1 1 85 85 ARG C C 85 175.200 175.200 176.617 -1.417 25800 1990 1 4 . 1 1 85 85 ARG CA C 85 56.000 56.000 58.268 -2.268 25800 1991 1 4 . 1 1 85 85 ARG CB C 85 30.800 30.800 30.599 0.201 25800 1992 1 4 . 1 1 85 85 ARG H H 85 8.040 8.040 8.715 -0.675 25800 1993 1 5 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.646 -0.056 25800 1994 1 5 . 1 1 0 0 HIS C C 0 174.000 174.000 173.850 0.150 25800 1995 1 5 . 1 1 0 0 HIS CA C 0 55.300 55.300 56.259 -0.959 25800 1996 1 5 . 1 1 0 0 HIS CB C 0 29.300 29.300 31.935 -2.635 25800 1997 1 5 . 1 1 1 1 MET N N 1 122.400 122.400 123.358 -0.958 25800 1998 1 5 . 1 1 1 1 MET HA H 1 4.340 4.340 4.573 -0.233 25800 1999 1 5 . 1 1 1 1 MET C C 1 175.600 175.600 175.051 0.549 25800 2000 1 5 . 1 1 1 1 MET CA C 1 55.600 55.600 55.485 0.115 25800 2001 1 5 . 1 1 1 1 MET CB C 1 32.800 32.800 33.774 -0.974 25800 2002 1 5 . 1 1 1 1 MET H H 1 8.310 8.310 8.498 -0.188 25800 2003 1 5 . 1 1 2 2 VAL N N 2 123.200 123.200 121.338 1.862 25800 2004 1 5 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.407 -0.447 25800 2005 1 5 . 1 1 2 2 VAL C C 2 175.600 175.600 174.517 1.083 25800 2006 1 5 . 1 1 2 2 VAL CA C 2 62.300 62.300 62.670 -0.370 25800 2007 1 5 . 1 1 2 2 VAL CB C 2 32.300 32.300 32.187 0.113 25800 2008 1 5 . 1 1 2 2 VAL H H 2 8.180 8.180 8.105 0.075 25800 2009 1 5 . 1 1 3 3 ILE N N 3 126.200 126.200 123.602 2.598 25800 2010 1 5 . 1 1 3 3 ILE HA H 3 4.050 4.050 4.466 -0.416 25800 2011 1 5 . 1 1 3 3 ILE C C 3 175.800 175.800 176.166 -0.366 25800 2012 1 5 . 1 1 3 3 ILE CA C 3 60.700 60.700 60.449 0.251 25800 2013 1 5 . 1 1 3 3 ILE CB C 3 38.300 38.300 40.956 -2.656 25800 2014 1 5 . 1 1 3 3 ILE H H 3 8.230 8.230 7.611 0.619 25800 2015 1 5 . 1 1 4 4 ARG N N 4 126.100 126.100 123.933 2.167 25800 2016 1 5 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.410 -0.230 25800 2017 1 5 . 1 1 4 4 ARG C C 4 175.900 175.900 175.740 0.160 25800 2018 1 5 . 1 1 4 4 ARG CA C 4 56.000 56.000 56.624 -0.624 25800 2019 1 5 . 1 1 4 4 ARG CB C 4 30.700 30.700 30.183 0.517 25800 2020 1 5 . 1 1 4 4 ARG H H 4 8.360 8.360 8.575 -0.215 25800 2021 1 5 . 1 1 5 5 GLU N N 5 122.200 122.200 117.400 4.800 25800 2022 1 5 . 1 1 5 5 GLU HA H 5 4.140 4.140 4.412 -0.272 25800 2023 1 5 . 1 1 5 5 GLU C C 5 176.100 176.100 174.878 1.222 25800 2024 1 5 . 1 1 5 5 GLU CA C 5 56.600 56.600 55.291 1.309 25800 2025 1 5 . 1 1 5 5 GLU CB C 5 30.300 30.300 31.557 -1.257 25800 2026 1 5 . 1 1 5 5 GLU H H 5 8.400 8.400 7.727 0.673 25800 2027 1 5 . 1 1 6 6 SER N N 6 116.200 116.200 119.439 -3.239 25800 2028 1 5 . 1 1 6 6 SER HA H 6 4.350 4.350 4.137 0.213 25800 2029 1 5 . 1 1 6 6 SER C C 6 174.300 174.300 174.472 -0.172 25800 2030 1 5 . 1 1 6 6 SER CA C 6 58.200 58.200 58.114 0.086 25800 2031 1 5 . 1 1 6 6 SER CB C 6 63.800 63.800 63.642 0.159 25800 2032 1 5 . 1 1 6 6 SER H H 6 8.270 8.270 8.408 -0.138 25800 2033 1 5 . 1 1 7 7 VAL N N 7 119.800 119.800 125.701 -5.901 25800 2034 1 5 . 1 1 7 7 VAL HA H 7 4.300 4.300 4.078 0.222 25800 2035 1 5 . 1 1 7 7 VAL C C 7 175.500 175.500 176.029 -0.529 25800 2036 1 5 . 1 1 7 7 VAL CA C 7 61.700 61.700 62.538 -0.838 25800 2037 1 5 . 1 1 7 7 VAL CB C 7 32.800 32.800 32.388 0.412 25800 2038 1 5 . 1 1 7 7 VAL H H 7 7.840 7.840 8.088 -0.248 25800 2039 1 5 . 1 1 8 8 SER N N 8 117.800 117.800 125.351 -7.551 25800 2040 1 5 . 1 1 8 8 SER HA H 8 4.240 4.240 4.639 -0.399 25800 2041 1 5 . 1 1 8 8 SER C C 8 172.500 172.500 173.661 -1.161 25800 2042 1 5 . 1 1 8 8 SER CA C 8 58.500 58.500 59.470 -0.970 25800 2043 1 5 . 1 1 8 8 SER CB C 8 63.600 63.600 63.683 -0.083 25800 2044 1 5 . 1 1 8 8 SER H H 8 8.530 8.530 8.626 -0.096 25800 2045 1 5 . 1 1 9 9 ARG N N 9 123.000 123.000 125.134 -2.134 25800 2046 1 5 . 1 1 9 9 ARG HA H 9 5.500 5.500 5.489 0.011 25800 2047 1 5 . 1 1 9 9 ARG C C 9 175.000 175.000 175.001 -0.001 25800 2048 1 5 . 1 1 9 9 ARG CA C 9 54.300 54.300 55.016 -0.716 25800 2049 1 5 . 1 1 9 9 ARG CB C 9 33.400 33.400 35.153 -1.753 25800 2050 1 5 . 1 1 9 9 ARG H H 9 7.350 7.350 8.013 -0.663 25800 2051 1 5 . 1 1 10 10 ILE N N 10 114.000 114.000 120.000 -6.000 25800 2052 1 5 . 1 1 10 10 ILE HA H 10 4.820 4.820 3.989 0.831 25800 2053 1 5 . 1 1 10 10 ILE C C 10 173.000 173.000 173.844 -0.844 25800 2054 1 5 . 1 1 10 10 ILE CA C 10 59.400 59.400 59.767 -0.367 25800 2055 1 5 . 1 1 10 10 ILE CB C 10 40.900 40.900 40.430 0.470 25800 2056 1 5 . 1 1 10 10 ILE H H 10 8.830 8.830 8.715 0.115 25800 2057 1 5 . 1 1 11 11 TYR N N 11 123.400 123.400 125.638 -2.238 25800 2058 1 5 . 1 1 11 11 TYR HA H 11 4.930 4.930 5.076 -0.146 25800 2059 1 5 . 1 1 11 11 TYR C C 11 173.000 173.000 173.243 -0.243 25800 2060 1 5 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.649 0.351 25800 2061 1 5 . 1 1 11 11 TYR CB C 11 40.900 40.900 42.478 -1.578 25800 2062 1 5 . 1 1 11 11 TYR H H 11 8.690 8.690 7.844 0.846 25800 2063 1 5 . 1 1 12 12 VAL N N 12 126.300 126.300 122.879 3.421 25800 2064 1 5 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.140 0.420 25800 2065 1 5 . 1 1 12 12 VAL C C 12 174.100 174.100 173.801 0.299 25800 2066 1 5 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.755 -0.555 25800 2067 1 5 . 1 1 12 12 VAL CB C 12 33.400 33.400 35.107 -1.707 25800 2068 1 5 . 1 1 12 12 VAL H H 12 8.370 8.370 7.253 1.117 25800 2069 1 5 . 1 1 13 13 GLY N N 13 113.000 113.000 111.114 1.886 25800 2070 1 5 . 1 1 13 13 GLY C C 13 173.100 173.100 173.627 -0.527 25800 2071 1 5 . 1 1 13 13 GLY CA C 13 43.300 43.300 43.407 -0.107 25800 2072 1 5 . 1 1 13 13 GLY H H 13 9.350 9.350 8.617 0.733 25800 2073 1 5 . 1 1 14 14 ASN N N 14 113.900 113.900 116.093 -2.193 25800 2074 1 5 . 1 1 14 14 ASN HA H 14 4.280 4.280 3.918 0.362 25800 2075 1 5 . 1 1 14 14 ASN C C 14 175.800 175.800 174.646 1.154 25800 2076 1 5 . 1 1 14 14 ASN CA C 14 53.600 53.600 53.809 -0.210 25800 2077 1 5 . 1 1 14 14 ASN CB C 14 37.700 37.700 36.770 0.930 25800 2078 1 5 . 1 1 14 14 ASN H H 14 8.800 8.800 8.117 0.683 25800 2079 1 5 . 1 1 15 15 LEU N N 15 115.800 115.800 120.875 -5.075 25800 2080 1 5 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.381 0.609 25800 2081 1 5 . 1 1 15 15 LEU CA C 15 55.600 55.600 53.164 2.436 25800 2082 1 5 . 1 1 15 15 LEU CB C 15 41.600 41.600 42.872 -1.272 25800 2083 1 5 . 1 1 15 15 LEU H H 15 7.150 7.150 7.404 -0.254 25800 2084 1 5 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.614 -0.544 25800 2085 1 5 . 1 1 16 16 PRO C C 16 171.500 171.500 177.716 -6.216 25800 2086 1 5 . 1 1 16 16 PRO CA C 16 62.500 62.500 61.878 0.622 25800 2087 1 5 . 1 1 16 16 PRO CB C 16 32.000 32.000 32.793 -0.793 25800 2088 1 5 . 1 1 17 17 SER N N 17 115.200 115.200 114.699 0.501 25800 2089 1 5 . 1 1 17 17 SER HA H 17 4.300 4.300 4.227 0.073 25800 2090 1 5 . 1 1 17 17 SER C C 17 174.200 174.200 174.295 -0.095 25800 2091 1 5 . 1 1 17 17 SER CA C 17 58.200 58.200 57.591 0.609 25800 2092 1 5 . 1 1 17 17 SER CB C 17 63.900 63.900 62.059 1.841 25800 2093 1 5 . 1 1 17 17 SER H H 17 8.470 8.470 8.487 -0.017 25800 2094 1 5 . 1 1 18 18 HIS N N 18 120.800 120.800 121.002 -0.202 25800 2095 1 5 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.433 0.117 25800 2096 1 5 . 1 1 18 18 HIS C C 18 175.100 175.100 175.264 -0.164 25800 2097 1 5 . 1 1 18 18 HIS CA C 18 55.500 55.500 58.170 -2.670 25800 2098 1 5 . 1 1 18 18 HIS CB C 18 29.300 29.300 30.465 -1.165 25800 2099 1 5 . 1 1 18 18 HIS H H 18 8.540 8.540 7.998 0.542 25800 2100 1 5 . 1 1 19 19 VAL N N 19 115.700 115.700 114.359 1.341 25800 2101 1 5 . 1 1 19 19 VAL HA H 19 4.260 4.260 4.468 -0.208 25800 2102 1 5 . 1 1 19 19 VAL C C 19 174.000 174.000 175.035 -1.035 25800 2103 1 5 . 1 1 19 19 VAL CA C 19 61.900 61.900 60.206 1.694 25800 2104 1 5 . 1 1 19 19 VAL CB C 19 32.600 32.600 33.992 -1.392 25800 2105 1 5 . 1 1 19 19 VAL H H 19 6.650 6.650 7.327 -0.677 25800 2106 1 5 . 1 1 20 20 SER N N 20 118.800 118.800 120.690 -1.890 25800 2107 1 5 . 1 1 20 20 SER HA H 20 4.710 4.710 4.677 0.033 25800 2108 1 5 . 1 1 20 20 SER C C 20 175.900 175.900 175.827 0.073 25800 2109 1 5 . 1 1 20 20 SER CA C 20 55.800 55.800 57.017 -1.217 25800 2110 1 5 . 1 1 20 20 SER CB C 20 66.600 66.600 65.348 1.252 25800 2111 1 5 . 1 1 20 20 SER H H 20 8.930 8.930 7.985 0.945 25800 2112 1 5 . 1 1 21 21 SER N N 21 117.100 117.100 117.434 -0.334 25800 2113 1 5 . 1 1 21 21 SER HA H 21 3.880 3.880 4.077 -0.197 25800 2114 1 5 . 1 1 21 21 SER C C 21 176.200 176.200 176.529 -0.329 25800 2115 1 5 . 1 1 21 21 SER CA C 21 62.300 62.300 61.156 1.144 25800 2116 1 5 . 1 1 21 21 SER CB C 21 66.800 66.800 62.947 3.853 25800 2117 1 5 . 1 1 21 21 SER H H 21 9.080 9.080 8.965 0.115 25800 2118 1 5 . 1 1 22 22 ARG N N 22 121.200 121.200 122.024 -0.824 25800 2119 1 5 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.119 -0.129 25800 2120 1 5 . 1 1 22 22 ARG C C 22 177.900 177.900 177.831 0.069 25800 2121 1 5 . 1 1 22 22 ARG CA C 22 58.700 58.700 58.779 -0.079 25800 2122 1 5 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.830 -0.230 25800 2123 1 5 . 1 1 22 22 ARG H H 22 7.940 7.940 7.651 0.289 25800 2124 1 5 . 1 1 23 23 ASP N N 23 118.800 118.800 119.879 -1.079 25800 2125 1 5 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.516 -0.126 25800 2126 1 5 . 1 1 23 23 ASP C C 23 179.200 179.200 178.769 0.431 25800 2127 1 5 . 1 1 23 23 ASP CA C 23 57.300 57.300 57.031 0.269 25800 2128 1 5 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.432 0.568 25800 2129 1 5 . 1 1 23 23 ASP H H 23 7.480 7.480 7.805 -0.325 25800 2130 1 5 . 1 1 24 24 VAL N N 24 119.500 119.500 119.717 -0.217 25800 2131 1 5 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.804 -0.434 25800 2132 1 5 . 1 1 24 24 VAL C C 24 177.500 177.500 177.566 -0.066 25800 2133 1 5 . 1 1 24 24 VAL CA C 24 66.900 66.900 67.413 -0.513 25800 2134 1 5 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.848 -0.448 25800 2135 1 5 . 1 1 24 24 VAL H H 24 7.450 7.450 8.632 -1.182 25800 2136 1 5 . 1 1 25 25 GLU N N 25 121.400 121.400 120.211 1.189 25800 2137 1 5 . 1 1 25 25 GLU HA H 25 3.570 3.570 4.005 -0.435 25800 2138 1 5 . 1 1 25 25 GLU C C 25 178.400 178.400 178.734 -0.334 25800 2139 1 5 . 1 1 25 25 GLU CA C 25 60.600 60.600 60.108 0.492 25800 2140 1 5 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.290 0.310 25800 2141 1 5 . 1 1 25 25 GLU H H 25 8.580 8.580 7.952 0.628 25800 2142 1 5 . 1 1 26 26 ASN N N 26 114.800 114.800 117.090 -2.290 25800 2143 1 5 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.442 -0.122 25800 2144 1 5 . 1 1 26 26 ASN C C 26 177.400 177.400 177.769 -0.369 25800 2145 1 5 . 1 1 26 26 ASN CA C 26 55.900 55.900 56.298 -0.398 25800 2146 1 5 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.497 -0.597 25800 2147 1 5 . 1 1 26 26 ASN H H 26 8.180 8.180 7.741 0.439 25800 2148 1 5 . 1 1 27 27 GLU N N 27 118.900 118.900 120.293 -1.393 25800 2149 1 5 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.162 -0.022 25800 2150 1 5 . 1 1 27 27 GLU C C 27 176.400 176.400 178.778 -2.378 25800 2151 1 5 . 1 1 27 27 GLU CA C 27 57.400 57.400 58.686 -1.286 25800 2152 1 5 . 1 1 27 27 GLU CB C 27 29.400 29.400 29.643 -0.243 25800 2153 1 5 . 1 1 27 27 GLU H H 27 7.340 7.340 8.237 -0.897 25800 2154 1 5 . 1 1 28 28 PHE N N 28 114.100 114.100 118.806 -4.706 25800 2155 1 5 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.502 0.048 25800 2156 1 5 . 1 1 28 28 PHE C C 28 176.300 176.300 177.947 -1.647 25800 2157 1 5 . 1 1 28 28 PHE CA C 28 60.000 60.000 60.913 -0.913 25800 2158 1 5 . 1 1 28 28 PHE CB C 28 40.800 40.800 38.961 1.839 25800 2159 1 5 . 1 1 28 28 PHE H H 28 7.660 7.660 8.387 -0.727 25800 2160 1 5 . 1 1 29 29 ARG N N 29 121.700 121.700 119.606 2.094 25800 2161 1 5 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.350 0.060 25800 2162 1 5 . 1 1 29 29 ARG C C 29 177.100 177.100 177.762 -0.662 25800 2163 1 5 . 1 1 29 29 ARG CA C 29 58.200 58.200 58.953 -0.753 25800 2164 1 5 . 1 1 29 29 ARG CB C 29 29.300 29.300 30.218 -0.918 25800 2165 1 5 . 1 1 29 29 ARG H H 29 8.120 8.120 8.224 -0.104 25800 2166 1 5 . 1 1 30 30 LYS N N 30 117.200 117.200 118.441 -1.241 25800 2167 1 5 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.172 -0.342 25800 2168 1 5 . 1 1 30 30 LYS C C 30 177.100 177.100 178.660 -1.560 25800 2169 1 5 . 1 1 30 30 LYS CA C 30 57.800 57.800 58.320 -0.520 25800 2170 1 5 . 1 1 30 30 LYS CB C 30 31.100 31.100 31.982 -0.882 25800 2171 1 5 . 1 1 30 30 LYS H H 30 7.630 7.630 7.648 -0.018 25800 2172 1 5 . 1 1 31 31 TYR N N 31 117.100 117.100 119.226 -2.126 25800 2173 1 5 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.487 -0.337 25800 2174 1 5 . 1 1 31 31 TYR C C 31 174.400 174.400 176.611 -2.211 25800 2175 1 5 . 1 1 31 31 TYR CA C 31 59.900 59.900 60.125 -0.225 25800 2176 1 5 . 1 1 31 31 TYR CB C 31 37.900 37.900 39.709 -1.808 25800 2177 1 5 . 1 1 31 31 TYR H H 31 7.410 7.410 8.077 -0.667 25800 2178 1 5 . 1 1 32 32 GLY N N 32 104.100 104.100 103.863 0.237 25800 2179 1 5 . 1 1 32 32 GLY C C 32 177.000 177.000 172.490 4.510 25800 2180 1 5 . 1 1 32 32 GLY CA C 32 44.500 44.500 44.965 -0.465 25800 2181 1 5 . 1 1 32 32 GLY H H 32 7.240 7.240 8.103 -0.863 25800 2182 1 5 . 1 1 33 33 ASN N N 33 115.300 115.300 121.029 -5.729 25800 2183 1 5 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.631 -0.191 25800 2184 1 5 . 1 1 33 33 ASN C C 33 175.500 175.500 174.617 0.883 25800 2185 1 5 . 1 1 33 33 ASN CA C 33 54.300 54.300 52.796 1.504 25800 2186 1 5 . 1 1 33 33 ASN CB C 33 38.400 38.400 37.769 0.631 25800 2187 1 5 . 1 1 33 33 ASN H H 33 8.460 8.460 8.619 -0.159 25800 2188 1 5 . 1 1 34 34 ILE N N 34 126.700 126.700 123.904 2.796 25800 2189 1 5 . 1 1 34 34 ILE HA H 34 3.790 3.790 3.476 0.314 25800 2190 1 5 . 1 1 34 34 ILE C C 34 175.600 175.600 175.612 -0.012 25800 2191 1 5 . 1 1 34 34 ILE CA C 34 61.300 61.300 61.927 -0.627 25800 2192 1 5 . 1 1 34 34 ILE CB C 34 40.000 40.000 38.055 1.945 25800 2193 1 5 . 1 1 34 34 ILE H H 34 8.050 8.050 7.594 0.456 25800 2194 1 5 . 1 1 35 35 LEU N N 35 127.400 127.400 128.465 -1.065 25800 2195 1 5 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.399 -0.239 25800 2196 1 5 . 1 1 35 35 LEU C C 35 177.200 177.200 176.478 0.722 25800 2197 1 5 . 1 1 35 35 LEU CA C 35 55.500 55.500 55.637 -0.137 25800 2198 1 5 . 1 1 35 35 LEU CB C 35 42.700 42.700 43.213 -0.513 25800 2199 1 5 . 1 1 35 35 LEU H H 35 8.780 8.780 8.917 -0.137 25800 2200 1 5 . 1 1 36 36 LYS N N 36 117.000 117.000 118.789 -1.789 25800 2201 1 5 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.590 -0.350 25800 2202 1 5 . 1 1 36 36 LYS C C 36 173.600 173.600 173.846 -0.246 25800 2203 1 5 . 1 1 36 36 LYS CA C 36 55.900 55.900 55.390 0.510 25800 2204 1 5 . 1 1 36 36 LYS CB C 36 36.600 36.600 35.617 0.983 25800 2205 1 5 . 1 1 36 36 LYS H H 36 7.110 7.110 7.461 -0.351 25800 2206 1 5 . 1 1 37 37 CYS N N 37 125.400 125.400 119.303 6.097 25800 2207 1 5 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.632 -0.932 25800 2208 1 5 . 1 1 37 37 CYS C C 37 171.600 171.600 172.977 -1.377 25800 2209 1 5 . 1 1 37 37 CYS CA C 37 57.900 57.900 57.070 0.830 25800 2210 1 5 . 1 1 37 37 CYS CB C 37 27.100 27.100 31.746 -4.646 25800 2211 1 5 . 1 1 37 37 CYS H H 37 8.610 8.610 8.455 0.155 25800 2212 1 5 . 1 1 38 38 ASP N N 38 128.200 128.200 122.170 6.030 25800 2213 1 5 . 1 1 38 38 ASP HA H 38 4.950 4.950 4.849 0.101 25800 2214 1 5 . 1 1 38 38 ASP C C 38 174.300 174.300 174.708 -0.408 25800 2215 1 5 . 1 1 38 38 ASP CA C 38 53.200 53.200 54.312 -1.112 25800 2216 1 5 . 1 1 38 38 ASP CB C 38 44.300 44.300 45.269 -0.969 25800 2217 1 5 . 1 1 38 38 ASP H H 38 8.290 8.290 8.622 -0.332 25800 2218 1 5 . 1 1 39 39 VAL N N 39 123.500 123.500 119.479 4.021 25800 2219 1 5 . 1 1 39 39 VAL HA H 39 4.300 4.300 4.848 -0.548 25800 2220 1 5 . 1 1 39 39 VAL C C 39 175.000 175.000 175.244 -0.244 25800 2221 1 5 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.510 0.190 25800 2222 1 5 . 1 1 39 39 VAL CB C 39 33.100 33.100 33.006 0.094 25800 2223 1 5 . 1 1 39 39 VAL H H 39 8.380 8.380 8.484 -0.104 25800 2224 1 5 . 1 1 40 40 LYS N N 40 129.100 129.100 123.900 5.200 25800 2225 1 5 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.908 -0.588 25800 2226 1 5 . 1 1 40 40 LYS C C 40 173.700 173.700 174.587 -0.887 25800 2227 1 5 . 1 1 40 40 LYS CA C 40 53.900 53.900 54.714 -0.814 25800 2228 1 5 . 1 1 40 40 LYS CB C 40 35.500 35.500 36.155 -0.655 25800 2229 1 5 . 1 1 40 40 LYS H H 40 8.680 8.680 9.131 -0.451 25800 2230 1 5 . 1 1 41 41 LYS N N 41 117.300 117.300 120.814 -3.514 25800 2231 1 5 . 1 1 41 41 LYS HA H 41 4.980 4.980 5.514 -0.534 25800 2232 1 5 . 1 1 41 41 LYS C C 41 177.800 177.800 175.539 2.261 25800 2233 1 5 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.692 -0.092 25800 2234 1 5 . 1 1 41 41 LYS CB C 41 35.000 35.000 35.692 -0.692 25800 2235 1 5 . 1 1 41 41 LYS H H 41 7.900 7.900 8.378 -0.478 25800 2236 1 5 . 1 1 42 42 THR N N 42 113.200 113.200 113.602 -0.402 25800 2237 1 5 . 1 1 42 42 THR HA H 42 4.680 4.680 4.693 -0.013 25800 2238 1 5 . 1 1 42 42 THR C C 42 176.900 176.900 176.514 0.386 25800 2239 1 5 . 1 1 42 42 THR CA C 42 60.200 60.200 60.739 -0.539 25800 2240 1 5 . 1 1 42 42 THR CB C 42 71.600 71.600 69.816 1.784 25800 2241 1 5 . 1 1 42 42 THR H H 42 8.730 8.730 8.673 0.057 25800 2242 1 5 . 1 1 43 43 VAL N N 43 120.000 120.000 121.618 -1.618 25800 2243 1 5 . 1 1 43 43 VAL HA H 43 3.920 3.920 3.906 0.014 25800 2244 1 5 . 1 1 43 43 VAL C C 43 177.000 177.000 177.368 -0.368 25800 2245 1 5 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.424 0.276 25800 2246 1 5 . 1 1 43 43 VAL CB C 43 31.800 31.800 31.408 0.392 25800 2247 1 5 . 1 1 43 43 VAL H H 43 8.730 8.730 8.543 0.187 25800 2248 1 5 . 1 1 44 44 SER N N 44 113.400 113.400 114.248 -0.848 25800 2249 1 5 . 1 1 44 44 SER HA H 44 4.360 4.360 4.355 0.005 25800 2250 1 5 . 1 1 44 44 SER C C 44 174.800 174.800 175.122 -0.322 25800 2251 1 5 . 1 1 44 44 SER CA C 44 58.400 58.400 58.655 -0.255 25800 2252 1 5 . 1 1 44 44 SER CB C 44 63.500 63.500 63.309 0.191 25800 2253 1 5 . 1 1 44 44 SER H H 44 7.760 7.760 8.387 -0.627 25800 2254 1 5 . 1 1 45 45 GLY N N 45 110.200 110.200 108.721 1.479 25800 2255 1 5 . 1 1 45 45 GLY C C 45 173.500 173.500 174.027 -0.527 25800 2256 1 5 . 1 1 45 45 GLY CA C 45 45.300 45.300 45.052 0.248 25800 2257 1 5 . 1 1 45 45 GLY H H 45 7.820 7.820 7.783 0.037 25800 2258 1 5 . 1 1 46 46 ALA N N 46 123.900 123.900 123.051 0.849 25800 2259 1 5 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.276 0.114 25800 2260 1 5 . 1 1 46 46 ALA C C 46 176.100 176.100 175.538 0.562 25800 2261 1 5 . 1 1 46 46 ALA CA C 46 51.900 51.900 52.246 -0.346 25800 2262 1 5 . 1 1 46 46 ALA CB C 46 19.800 19.800 19.949 -0.149 25800 2263 1 5 . 1 1 46 46 ALA H H 46 7.440 7.440 7.681 -0.241 25800 2264 1 5 . 1 1 47 47 ALA N N 47 123.100 123.100 123.719 -0.619 25800 2265 1 5 . 1 1 47 47 ALA HA H 47 5.200 5.200 5.395 -0.195 25800 2266 1 5 . 1 1 47 47 ALA C C 47 176.100 176.100 175.015 1.085 25800 2267 1 5 . 1 1 47 47 ALA CA C 47 50.900 50.900 50.140 0.760 25800 2268 1 5 . 1 1 47 47 ALA CB C 47 21.900 21.900 22.570 -0.670 25800 2269 1 5 . 1 1 47 47 ALA H H 47 8.350 8.350 7.927 0.423 25800 2270 1 5 . 1 1 48 48 PHE N N 48 118.700 118.700 117.119 1.581 25800 2271 1 5 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.138 -0.108 25800 2272 1 5 . 1 1 48 48 PHE C C 48 171.600 171.600 174.351 -2.751 25800 2273 1 5 . 1 1 48 48 PHE CA C 48 55.700 55.700 57.000 -1.300 25800 2274 1 5 . 1 1 48 48 PHE CB C 48 41.200 41.200 43.815 -2.615 25800 2275 1 5 . 1 1 48 48 PHE H H 48 8.550 8.550 9.173 -0.623 25800 2276 1 5 . 1 1 49 49 ALA N N 49 120.400 120.400 124.948 -4.548 25800 2277 1 5 . 1 1 49 49 ALA HA H 49 5.330 5.330 4.941 0.389 25800 2278 1 5 . 1 1 49 49 ALA C C 49 175.500 175.500 175.554 -0.054 25800 2279 1 5 . 1 1 49 49 ALA CA C 49 49.300 49.300 51.236 -1.936 25800 2280 1 5 . 1 1 49 49 ALA CB C 49 23.700 23.700 20.182 3.518 25800 2281 1 5 . 1 1 49 49 ALA H H 49 9.240 9.240 8.314 0.926 25800 2282 1 5 . 1 1 50 50 PHE N N 50 115.000 115.000 120.493 -5.493 25800 2283 1 5 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.478 0.122 25800 2284 1 5 . 1 1 50 50 PHE C C 50 176.000 176.000 174.255 1.745 25800 2285 1 5 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.870 -0.370 25800 2286 1 5 . 1 1 50 50 PHE CB C 50 42.200 42.200 43.446 -1.246 25800 2287 1 5 . 1 1 50 50 PHE H H 50 7.920 7.920 7.889 0.031 25800 2288 1 5 . 1 1 51 51 ILE N N 51 123.000 123.000 121.689 1.311 25800 2289 1 5 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.850 -0.400 25800 2290 1 5 . 1 1 51 51 ILE C C 51 173.700 173.700 174.339 -0.639 25800 2291 1 5 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.320 -0.120 25800 2292 1 5 . 1 1 51 51 ILE CB C 51 40.700 40.700 42.068 -1.368 25800 2293 1 5 . 1 1 51 51 ILE H H 51 8.490 8.490 8.766 -0.276 25800 2294 1 5 . 1 1 52 52 GLU N N 52 126.600 126.600 125.835 0.765 25800 2295 1 5 . 1 1 52 52 GLU HA H 52 4.770 4.770 5.044 -0.274 25800 2296 1 5 . 1 1 52 52 GLU C C 52 175.300 175.300 175.276 0.024 25800 2297 1 5 . 1 1 52 52 GLU CA C 52 54.700 54.700 55.626 -0.926 25800 2298 1 5 . 1 1 52 52 GLU CB C 52 31.500 31.500 32.294 -0.794 25800 2299 1 5 . 1 1 52 52 GLU H H 52 8.610 8.610 9.181 -0.571 25800 2300 1 5 . 1 1 53 53 PHE N N 53 126.100 126.100 125.126 0.974 25800 2301 1 5 . 1 1 53 53 PHE HA H 53 4.800 4.800 5.222 -0.422 25800 2302 1 5 . 1 1 53 53 PHE C C 53 175.400 175.400 175.566 -0.166 25800 2303 1 5 . 1 1 53 53 PHE CA C 53 58.200 58.200 56.572 1.628 25800 2304 1 5 . 1 1 53 53 PHE CB C 53 40.900 40.900 43.560 -2.660 25800 2305 1 5 . 1 1 53 53 PHE H H 53 8.800 8.800 9.285 -0.485 25800 2306 1 5 . 1 1 54 54 GLU N N 54 120.700 120.700 121.045 -0.345 25800 2307 1 5 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.215 -0.285 25800 2308 1 5 . 1 1 54 54 GLU C C 54 175.300 175.300 176.332 -1.032 25800 2309 1 5 . 1 1 54 54 GLU CA C 54 59.100 59.100 58.008 1.092 25800 2310 1 5 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.284 0.516 25800 2311 1 5 . 1 1 54 54 GLU H H 54 8.160 8.160 8.212 -0.052 25800 2312 1 5 . 1 1 55 55 ASP N N 55 117.900 117.900 119.090 -1.190 25800 2313 1 5 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.887 0.033 25800 2314 1 5 . 1 1 55 55 ASP C C 55 176.400 176.400 175.358 1.042 25800 2315 1 5 . 1 1 55 55 ASP CA C 55 52.400 52.400 53.355 -0.955 25800 2316 1 5 . 1 1 55 55 ASP CB C 55 44.400 44.400 43.152 1.248 25800 2317 1 5 . 1 1 55 55 ASP H H 55 8.740 8.740 7.900 0.840 25800 2318 1 5 . 1 1 56 56 ALA N N 56 128.900 128.900 125.763 3.137 25800 2319 1 5 . 1 1 56 56 ALA HA H 56 3.830 3.830 2.653 1.177 25800 2320 1 5 . 1 1 56 56 ALA C C 56 179.800 179.800 178.181 1.619 25800 2321 1 5 . 1 1 56 56 ALA CA C 56 55.200 55.200 54.406 0.794 25800 2322 1 5 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.471 0.429 25800 2323 1 5 . 1 1 56 56 ALA H H 56 8.800 8.800 8.448 0.352 25800 2324 1 5 . 1 1 57 57 ARG N N 57 119.200 119.200 117.675 1.525 25800 2325 1 5 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.021 -0.131 25800 2326 1 5 . 1 1 57 57 ARG C C 57 178.000 178.000 177.252 0.748 25800 2327 1 5 . 1 1 57 57 ARG CA C 57 58.900 58.900 58.428 0.472 25800 2328 1 5 . 1 1 57 57 ARG CB C 57 29.300 29.300 28.687 0.613 25800 2329 1 5 . 1 1 57 57 ARG H H 57 8.950 8.950 8.438 0.512 25800 2330 1 5 . 1 1 58 58 ASP N N 58 120.900 120.900 118.889 2.011 25800 2331 1 5 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.497 -0.407 25800 2332 1 5 . 1 1 58 58 ASP C C 58 176.700 176.700 177.572 -0.872 25800 2333 1 5 . 1 1 58 58 ASP CA C 58 56.500 56.500 56.900 -0.400 25800 2334 1 5 . 1 1 58 58 ASP CB C 58 39.900 39.900 40.585 -0.685 25800 2335 1 5 . 1 1 58 58 ASP H H 58 7.020 7.020 8.472 -1.452 25800 2336 1 5 . 1 1 59 59 ALA N N 59 119.700 119.700 121.415 -1.715 25800 2337 1 5 . 1 1 59 59 ALA HA H 59 3.080 3.080 4.773 -1.693 25800 2338 1 5 . 1 1 59 59 ALA C C 59 178.100 178.100 179.341 -1.241 25800 2339 1 5 . 1 1 59 59 ALA CA C 59 54.300 54.300 54.134 0.166 25800 2340 1 5 . 1 1 59 59 ALA CB C 59 18.400 18.400 18.837 -0.437 25800 2341 1 5 . 1 1 59 59 ALA H H 59 6.440 6.440 7.491 -1.051 25800 2342 1 5 . 1 1 60 60 ALA N N 60 117.600 117.600 121.762 -4.162 25800 2343 1 5 . 1 1 60 60 ALA HA H 60 3.830 3.830 4.167 -0.337 25800 2344 1 5 . 1 1 60 60 ALA C C 60 180.900 180.900 179.191 1.709 25800 2345 1 5 . 1 1 60 60 ALA CA C 60 54.900 54.900 55.568 -0.668 25800 2346 1 5 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.363 -0.663 25800 2347 1 5 . 1 1 60 60 ALA H H 60 7.330 7.330 8.585 -1.255 25800 2348 1 5 . 1 1 61 61 ASP N N 61 120.100 120.100 117.972 2.128 25800 2349 1 5 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.435 -0.225 25800 2350 1 5 . 1 1 61 61 ASP C C 61 176.700 176.700 178.055 -1.355 25800 2351 1 5 . 1 1 61 61 ASP CA C 61 57.100 57.100 57.125 -0.025 25800 2352 1 5 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.359 -0.259 25800 2353 1 5 . 1 1 61 61 ASP H H 61 7.590 7.590 8.295 -0.705 25800 2354 1 5 . 1 1 62 62 ALA N N 62 122.200 122.200 121.959 0.241 25800 2355 1 5 . 1 1 62 62 ALA HA H 62 2.420 2.420 4.186 -1.766 25800 2356 1 5 . 1 1 62 62 ALA C C 62 179.300 179.300 179.270 0.030 25800 2357 1 5 . 1 1 62 62 ALA CA C 62 54.600 54.600 54.110 0.490 25800 2358 1 5 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.713 0.387 25800 2359 1 5 . 1 1 62 62 ALA H H 62 7.440 7.440 7.490 -0.050 25800 2360 1 5 . 1 1 63 63 ILE N N 63 116.700 116.700 119.262 -2.562 25800 2361 1 5 . 1 1 63 63 ILE HA H 63 3.240 3.240 4.211 -0.971 25800 2362 1 5 . 1 1 63 63 ILE C C 63 177.800 177.800 177.825 -0.025 25800 2363 1 5 . 1 1 63 63 ILE CA C 63 65.600 65.600 62.636 2.964 25800 2364 1 5 . 1 1 63 63 ILE CB C 63 38.900 38.900 38.224 0.676 25800 2365 1 5 . 1 1 63 63 ILE H H 63 7.540 7.540 8.275 -0.735 25800 2366 1 5 . 1 1 64 64 LYS N N 64 117.400 117.400 120.290 -2.890 25800 2367 1 5 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.124 -0.224 25800 2368 1 5 . 1 1 64 64 LYS C C 64 178.900 178.900 178.342 0.558 25800 2369 1 5 . 1 1 64 64 LYS CA C 64 58.800 58.800 58.814 -0.014 25800 2370 1 5 . 1 1 64 64 LYS CB C 64 32.600 32.600 31.516 1.084 25800 2371 1 5 . 1 1 64 64 LYS H H 64 7.490 7.490 8.507 -1.017 25800 2372 1 5 . 1 1 65 65 GLU N N 65 113.800 113.800 118.116 -4.316 25800 2373 1 5 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.262 -0.102 25800 2374 1 5 . 1 1 65 65 GLU C C 65 178.300 178.300 177.366 0.934 25800 2375 1 5 . 1 1 65 65 GLU CA C 65 58.300 58.300 58.161 0.139 25800 2376 1 5 . 1 1 65 65 GLU CB C 65 30.700 30.700 28.701 1.999 25800 2377 1 5 . 1 1 65 65 GLU H H 65 7.960 7.960 8.078 -0.118 25800 2378 1 5 . 1 1 66 66 LYS N N 66 114.700 114.700 118.234 -3.534 25800 2379 1 5 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.594 -0.124 25800 2380 1 5 . 1 1 66 66 LYS C C 66 177.500 177.500 176.223 1.277 25800 2381 1 5 . 1 1 66 66 LYS CA C 66 54.400 54.400 54.851 -0.451 25800 2382 1 5 . 1 1 66 66 LYS CB C 66 33.000 33.000 32.252 0.748 25800 2383 1 5 . 1 1 66 66 LYS H H 66 8.050 8.050 7.670 0.380 25800 2384 1 5 . 1 1 67 67 ASP N N 67 118.800 118.800 120.800 -2.000 25800 2385 1 5 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.482 -0.262 25800 2386 1 5 . 1 1 67 67 ASP C C 67 177.700 177.700 177.642 0.058 25800 2387 1 5 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.331 4.069 25800 2388 1 5 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.187 0.213 25800 2389 1 5 . 1 1 67 67 ASP H H 67 7.620 7.620 7.517 0.103 25800 2390 1 5 . 1 1 68 68 GLY N N 68 115.600 115.600 107.509 8.091 25800 2391 1 5 . 1 1 68 68 GLY C C 68 173.800 173.800 174.762 -0.962 25800 2392 1 5 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.719 1.181 25800 2393 1 5 . 1 1 68 68 GLY H H 68 8.470 8.470 8.609 -0.139 25800 2394 1 5 . 1 1 69 69 CYS N N 69 119.200 119.200 119.250 -0.050 25800 2395 1 5 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.611 -0.451 25800 2396 1 5 . 1 1 69 69 CYS C C 69 172.600 172.600 174.357 -1.757 25800 2397 1 5 . 1 1 69 69 CYS CA C 69 58.000 58.000 57.797 0.203 25800 2398 1 5 . 1 1 69 69 CYS CB C 69 28.700 28.700 28.868 -0.168 25800 2399 1 5 . 1 1 69 69 CYS H H 69 7.890 7.890 8.178 -0.288 25800 2400 1 5 . 1 1 70 70 ASP N N 70 122.200 122.200 124.999 -2.799 25800 2401 1 5 . 1 1 70 70 ASP HA H 70 4.830 4.830 4.636 0.194 25800 2402 1 5 . 1 1 70 70 ASP C C 70 176.400 176.400 174.805 1.595 25800 2403 1 5 . 1 1 70 70 ASP CA C 70 54.700 54.700 53.763 0.937 25800 2404 1 5 . 1 1 70 70 ASP CB C 70 42.700 42.700 43.174 -0.474 25800 2405 1 5 . 1 1 70 70 ASP H H 70 8.360 8.360 8.426 -0.066 25800 2406 1 5 . 1 1 71 71 PHE N N 71 127.600 127.600 119.931 7.669 25800 2407 1 5 . 1 1 71 71 PHE HA H 71 4.600 4.600 5.150 -0.550 25800 2408 1 5 . 1 1 71 71 PHE C C 71 173.600 173.600 175.378 -1.778 25800 2409 1 5 . 1 1 71 71 PHE CA C 71 56.800 56.800 56.678 0.122 25800 2410 1 5 . 1 1 71 71 PHE CB C 71 40.700 40.700 40.799 -0.099 25800 2411 1 5 . 1 1 71 71 PHE H H 71 9.390 9.390 7.634 1.756 25800 2412 1 5 . 1 1 72 72 GLU N N 72 123.900 123.900 119.317 4.583 25800 2413 1 5 . 1 1 72 72 GLU HA H 72 3.540 3.540 4.163 -0.623 25800 2414 1 5 . 1 1 72 72 GLU C C 72 175.500 175.500 176.123 -0.623 25800 2415 1 5 . 1 1 72 72 GLU CA C 72 56.700 56.700 57.281 -0.581 25800 2416 1 5 . 1 1 72 72 GLU CB C 72 27.300 27.300 28.492 -1.192 25800 2417 1 5 . 1 1 72 72 GLU H H 72 8.940 8.940 9.364 -0.424 25800 2418 1 5 . 1 1 73 73 GLY N N 73 105.200 105.200 103.628 1.572 25800 2419 1 5 . 1 1 73 73 GLY C C 73 174.100 174.100 173.967 0.133 25800 2420 1 5 . 1 1 73 73 GLY CA C 73 45.600 45.600 44.866 0.734 25800 2421 1 5 . 1 1 73 73 GLY H H 73 8.350 8.350 8.158 0.192 25800 2422 1 5 . 1 1 74 74 ASN N N 74 121.000 121.000 119.970 1.030 25800 2423 1 5 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.986 -0.226 25800 2424 1 5 . 1 1 74 74 ASN C C 74 174.000 174.000 173.362 0.638 25800 2425 1 5 . 1 1 74 74 ASN CA C 74 50.900 50.900 52.523 -1.623 25800 2426 1 5 . 1 1 74 74 ASN CB C 74 39.700 39.700 40.121 -0.421 25800 2427 1 5 . 1 1 74 74 ASN H H 74 7.740 7.740 7.943 -0.203 25800 2428 1 5 . 1 1 75 75 LYS N N 75 121.400 121.400 121.307 0.093 25800 2429 1 5 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.572 -0.102 25800 2430 1 5 . 1 1 75 75 LYS C C 75 176.900 176.900 174.889 2.011 25800 2431 1 5 . 1 1 75 75 LYS CA C 75 55.300 55.300 55.567 -0.267 25800 2432 1 5 . 1 1 75 75 LYS CB C 75 31.900 31.900 32.555 -0.655 25800 2433 1 5 . 1 1 75 75 LYS H H 75 8.380 8.380 8.486 -0.106 25800 2434 1 5 . 1 1 76 76 LEU N N 76 127.400 127.400 123.586 3.814 25800 2435 1 5 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.466 -0.036 25800 2436 1 5 . 1 1 76 76 LEU C C 76 177.600 177.600 174.775 2.825 25800 2437 1 5 . 1 1 76 76 LEU CA C 76 55.300 55.300 54.884 0.416 25800 2438 1 5 . 1 1 76 76 LEU CB C 76 43.100 43.100 44.076 -0.976 25800 2439 1 5 . 1 1 76 76 LEU H H 76 8.950 8.950 7.953 0.997 25800 2440 1 5 . 1 1 77 77 ARG N N 77 121.800 121.800 124.052 -2.252 25800 2441 1 5 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.747 0.153 25800 2442 1 5 . 1 1 77 77 ARG C C 77 174.700 174.700 174.056 0.644 25800 2443 1 5 . 1 1 77 77 ARG CA C 77 54.000 54.000 55.894 -1.894 25800 2444 1 5 . 1 1 77 77 ARG CB C 77 32.300 32.300 31.957 0.343 25800 2445 1 5 . 1 1 77 77 ARG H H 77 7.530 7.530 8.232 -0.702 25800 2446 1 5 . 1 1 78 78 VAL N N 78 127.000 127.000 126.053 0.947 25800 2447 1 5 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.232 1.048 25800 2448 1 5 . 1 1 78 78 VAL C C 78 174.200 174.200 174.549 -0.349 25800 2449 1 5 . 1 1 78 78 VAL CA C 78 61.200 61.200 61.569 -0.369 25800 2450 1 5 . 1 1 78 78 VAL CB C 78 33.400 33.400 33.817 -0.417 25800 2451 1 5 . 1 1 78 78 VAL H H 78 9.660 9.660 8.584 1.076 25800 2452 1 5 . 1 1 79 79 GLU N N 79 121.900 121.900 128.318 -6.418 25800 2453 1 5 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.496 0.214 25800 2454 1 5 . 1 1 79 79 GLU C C 79 174.600 174.600 173.908 0.692 25800 2455 1 5 . 1 1 79 79 GLU CA C 79 53.900 53.900 55.817 -1.917 25800 2456 1 5 . 1 1 79 79 GLU CB C 79 34.400 34.400 33.760 0.640 25800 2457 1 5 . 1 1 79 79 GLU H H 79 8.980 8.980 8.297 0.683 25800 2458 1 5 . 1 1 80 80 VAL N N 80 121.300 121.300 123.087 -1.787 25800 2459 1 5 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.303 0.067 25800 2460 1 5 . 1 1 80 80 VAL CA C 80 61.000 61.000 58.264 2.736 25800 2461 1 5 . 1 1 80 80 VAL CB C 80 32.100 32.100 34.695 -2.595 25800 2462 1 5 . 1 1 80 80 VAL H H 80 8.410 8.410 8.347 0.063 25800 2463 1 5 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.679 -0.419 25800 2464 1 5 . 1 1 81 81 PRO C C 81 176.100 176.100 176.033 0.067 25800 2465 1 5 . 1 1 81 81 PRO CA C 81 63.100 63.100 62.903 0.197 25800 2466 1 5 . 1 1 81 81 PRO CB C 81 32.100 32.100 29.866 2.234 25800 2467 1 5 . 1 1 82 82 PHE N N 82 122.200 122.200 121.285 0.915 25800 2468 1 5 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.408 -0.118 25800 2469 1 5 . 1 1 82 82 PHE C C 82 175.300 175.300 175.926 -0.626 25800 2470 1 5 . 1 1 82 82 PHE CA C 82 58.100 58.100 56.739 1.361 25800 2471 1 5 . 1 1 82 82 PHE CB C 82 39.400 39.400 38.946 0.454 25800 2472 1 5 . 1 1 82 82 PHE H H 82 8.150 8.150 7.842 0.308 25800 2473 1 5 . 1 1 83 83 ASN N N 83 120.800 120.800 115.115 5.685 25800 2474 1 5 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.435 0.005 25800 2475 1 5 . 1 1 83 83 ASN C C 83 174.100 174.100 174.684 -0.584 25800 2476 1 5 . 1 1 83 83 ASN CA C 83 52.700 52.700 53.773 -1.073 25800 2477 1 5 . 1 1 83 83 ASN CB C 83 38.700 38.700 37.839 0.861 25800 2478 1 5 . 1 1 83 83 ASN H H 83 8.110 8.110 8.033 0.077 25800 2479 1 5 . 1 1 84 84 ALA N N 84 123.700 123.700 120.181 3.519 25800 2480 1 5 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.086 -0.006 25800 2481 1 5 . 1 1 84 84 ALA C C 84 177.100 177.100 176.492 0.608 25800 2482 1 5 . 1 1 84 84 ALA CA C 84 52.400 52.400 52.942 -0.542 25800 2483 1 5 . 1 1 84 84 ALA CB C 84 19.100 19.100 19.325 -0.225 25800 2484 1 5 . 1 1 84 84 ALA H H 84 8.020 8.020 8.257 -0.237 25800 2485 1 5 . 1 1 85 85 ARG N N 85 120.200 120.200 121.252 -1.052 25800 2486 1 5 . 1 1 85 85 ARG HA H 85 4.150 4.150 4.558 -0.408 25800 2487 1 5 . 1 1 85 85 ARG C C 85 175.200 175.200 175.586 -0.386 25800 2488 1 5 . 1 1 85 85 ARG CA C 85 56.000 56.000 55.146 0.854 25800 2489 1 5 . 1 1 85 85 ARG CB C 85 30.800 30.800 31.814 -1.014 25800 2490 1 5 . 1 1 85 85 ARG H H 85 8.040 8.040 8.463 -0.423 25800 2491 1 6 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.766 -0.176 25800 2492 1 6 . 1 1 0 0 HIS C C 0 174.000 174.000 174.704 -0.704 25800 2493 1 6 . 1 1 0 0 HIS CA C 0 55.300 55.300 56.063 -0.763 25800 2494 1 6 . 1 1 0 0 HIS CB C 0 29.300 29.300 30.121 -0.821 25800 2495 1 6 . 1 1 1 1 MET N N 1 122.400 122.400 119.511 2.889 25800 2496 1 6 . 1 1 1 1 MET HA H 1 4.340 4.340 4.656 -0.316 25800 2497 1 6 . 1 1 1 1 MET C C 1 175.600 175.600 174.183 1.417 25800 2498 1 6 . 1 1 1 1 MET CA C 1 55.600 55.600 54.908 0.692 25800 2499 1 6 . 1 1 1 1 MET CB C 1 32.800 32.800 35.090 -2.290 25800 2500 1 6 . 1 1 1 1 MET H H 1 8.310 8.310 8.450 -0.140 25800 2501 1 6 . 1 1 2 2 VAL N N 2 123.200 123.200 119.523 3.677 25800 2502 1 6 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.523 -0.563 25800 2503 1 6 . 1 1 2 2 VAL C C 2 175.600 175.600 174.401 1.199 25800 2504 1 6 . 1 1 2 2 VAL CA C 2 62.300 62.300 62.136 0.164 25800 2505 1 6 . 1 1 2 2 VAL CB C 2 32.300 32.300 33.979 -1.679 25800 2506 1 6 . 1 1 2 2 VAL H H 2 8.180 8.180 8.373 -0.193 25800 2507 1 6 . 1 1 3 3 ILE N N 3 126.200 126.200 125.797 0.403 25800 2508 1 6 . 1 1 3 3 ILE HA H 3 4.050 4.050 4.232 -0.182 25800 2509 1 6 . 1 1 3 3 ILE C C 3 175.800 175.800 175.321 0.479 25800 2510 1 6 . 1 1 3 3 ILE CA C 3 60.700 60.700 61.331 -0.631 25800 2511 1 6 . 1 1 3 3 ILE CB C 3 38.300 38.300 39.359 -1.059 25800 2512 1 6 . 1 1 3 3 ILE H H 3 8.230 8.230 8.432 -0.202 25800 2513 1 6 . 1 1 4 4 ARG N N 4 126.100 126.100 119.405 6.695 25800 2514 1 6 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.378 -0.198 25800 2515 1 6 . 1 1 4 4 ARG C C 4 175.900 175.900 174.651 1.249 25800 2516 1 6 . 1 1 4 4 ARG CA C 4 56.000 56.000 56.248 -0.248 25800 2517 1 6 . 1 1 4 4 ARG CB C 4 30.700 30.700 32.226 -1.526 25800 2518 1 6 . 1 1 4 4 ARG H H 4 8.360 8.360 7.824 0.536 25800 2519 1 6 . 1 1 5 5 GLU N N 5 122.200 122.200 119.833 2.367 25800 2520 1 6 . 1 1 5 5 GLU HA H 5 4.140 4.140 3.994 0.146 25800 2521 1 6 . 1 1 5 5 GLU C C 5 176.100 176.100 175.009 1.091 25800 2522 1 6 . 1 1 5 5 GLU CA C 5 56.600 56.600 57.136 -0.536 25800 2523 1 6 . 1 1 5 5 GLU CB C 5 30.300 30.300 28.794 1.506 25800 2524 1 6 . 1 1 5 5 GLU H H 5 8.400 8.400 8.651 -0.251 25800 2525 1 6 . 1 1 6 6 SER N N 6 116.200 116.200 112.824 3.376 25800 2526 1 6 . 1 1 6 6 SER HA H 6 4.350 4.350 4.209 0.141 25800 2527 1 6 . 1 1 6 6 SER C C 6 174.300 174.300 173.406 0.894 25800 2528 1 6 . 1 1 6 6 SER CA C 6 58.200 58.200 58.342 -0.141 25800 2529 1 6 . 1 1 6 6 SER CB C 6 63.800 63.800 63.499 0.301 25800 2530 1 6 . 1 1 6 6 SER H H 6 8.270 8.270 7.915 0.355 25800 2531 1 6 . 1 1 7 7 VAL N N 7 119.800 119.800 122.405 -2.605 25800 2532 1 6 . 1 1 7 7 VAL HA H 7 4.300 4.300 4.315 -0.015 25800 2533 1 6 . 1 1 7 7 VAL C C 7 175.500 175.500 176.022 -0.522 25800 2534 1 6 . 1 1 7 7 VAL CA C 7 61.700 61.700 61.196 0.505 25800 2535 1 6 . 1 1 7 7 VAL CB C 7 32.800 32.800 31.834 0.966 25800 2536 1 6 . 1 1 7 7 VAL H H 7 7.840 7.840 8.467 -0.627 25800 2537 1 6 . 1 1 8 8 SER N N 8 117.800 117.800 116.969 0.831 25800 2538 1 6 . 1 1 8 8 SER HA H 8 4.240 4.240 4.222 0.018 25800 2539 1 6 . 1 1 8 8 SER C C 8 172.500 172.500 173.506 -1.006 25800 2540 1 6 . 1 1 8 8 SER CA C 8 58.500 58.500 58.679 -0.179 25800 2541 1 6 . 1 1 8 8 SER CB C 8 63.600 63.600 62.960 0.640 25800 2542 1 6 . 1 1 8 8 SER H H 8 8.530 8.530 7.886 0.644 25800 2543 1 6 . 1 1 9 9 ARG N N 9 123.000 123.000 121.996 1.004 25800 2544 1 6 . 1 1 9 9 ARG HA H 9 5.500 5.500 4.838 0.662 25800 2545 1 6 . 1 1 9 9 ARG C C 9 175.000 175.000 174.972 0.028 25800 2546 1 6 . 1 1 9 9 ARG CA C 9 54.300 54.300 54.324 -0.024 25800 2547 1 6 . 1 1 9 9 ARG CB C 9 33.400 33.400 33.339 0.061 25800 2548 1 6 . 1 1 9 9 ARG H H 9 7.350 7.350 8.147 -0.797 25800 2549 1 6 . 1 1 10 10 ILE N N 10 114.000 114.000 122.315 -8.315 25800 2550 1 6 . 1 1 10 10 ILE HA H 10 4.820 4.820 3.983 0.837 25800 2551 1 6 . 1 1 10 10 ILE C C 10 173.000 173.000 174.616 -1.616 25800 2552 1 6 . 1 1 10 10 ILE CA C 10 59.400 59.400 61.960 -2.560 25800 2553 1 6 . 1 1 10 10 ILE CB C 10 40.900 40.900 38.589 2.311 25800 2554 1 6 . 1 1 10 10 ILE H H 10 8.830 8.830 8.145 0.685 25800 2555 1 6 . 1 1 11 11 TYR N N 11 123.400 123.400 128.274 -4.874 25800 2556 1 6 . 1 1 11 11 TYR HA H 11 4.930 4.930 4.977 -0.047 25800 2557 1 6 . 1 1 11 11 TYR C C 11 173.000 173.000 173.254 -0.254 25800 2558 1 6 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.636 0.364 25800 2559 1 6 . 1 1 11 11 TYR CB C 11 40.900 40.900 42.120 -1.220 25800 2560 1 6 . 1 1 11 11 TYR H H 11 8.690 8.690 8.087 0.603 25800 2561 1 6 . 1 1 12 12 VAL N N 12 126.300 126.300 125.019 1.281 25800 2562 1 6 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.567 -0.007 25800 2563 1 6 . 1 1 12 12 VAL C C 12 174.100 174.100 173.349 0.751 25800 2564 1 6 . 1 1 12 12 VAL CA C 12 60.200 60.200 59.166 1.034 25800 2565 1 6 . 1 1 12 12 VAL CB C 12 33.400 33.400 35.769 -2.369 25800 2566 1 6 . 1 1 12 12 VAL H H 12 8.370 8.370 7.227 1.143 25800 2567 1 6 . 1 1 13 13 GLY N N 13 113.000 113.000 114.130 -1.130 25800 2568 1 6 . 1 1 13 13 GLY C C 13 173.100 173.100 173.199 -0.099 25800 2569 1 6 . 1 1 13 13 GLY CA C 13 43.300 43.300 43.568 -0.268 25800 2570 1 6 . 1 1 13 13 GLY H H 13 9.350 9.350 8.658 0.692 25800 2571 1 6 . 1 1 14 14 ASN N N 14 113.900 113.900 117.642 -3.742 25800 2572 1 6 . 1 1 14 14 ASN HA H 14 4.280 4.280 3.920 0.360 25800 2573 1 6 . 1 1 14 14 ASN C C 14 175.800 175.800 174.748 1.052 25800 2574 1 6 . 1 1 14 14 ASN CA C 14 53.600 53.600 53.986 -0.386 25800 2575 1 6 . 1 1 14 14 ASN CB C 14 37.700 37.700 36.800 0.900 25800 2576 1 6 . 1 1 14 14 ASN H H 14 8.800 8.800 7.867 0.933 25800 2577 1 6 . 1 1 15 15 LEU N N 15 115.800 115.800 114.830 0.970 25800 2578 1 6 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.555 0.435 25800 2579 1 6 . 1 1 15 15 LEU CA C 15 55.600 55.600 53.610 1.990 25800 2580 1 6 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.588 0.012 25800 2581 1 6 . 1 1 15 15 LEU H H 15 7.150 7.150 7.177 -0.027 25800 2582 1 6 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.562 -0.492 25800 2583 1 6 . 1 1 16 16 PRO C C 16 171.500 171.500 177.231 -5.731 25800 2584 1 6 . 1 1 16 16 PRO CA C 16 62.500 62.500 63.192 -0.692 25800 2585 1 6 . 1 1 16 16 PRO CB C 16 32.000 32.000 31.793 0.207 25800 2586 1 6 . 1 1 17 17 SER N N 17 115.200 115.200 118.685 -3.485 25800 2587 1 6 . 1 1 17 17 SER HA H 17 4.300 4.300 4.188 0.112 25800 2588 1 6 . 1 1 17 17 SER C C 17 174.200 174.200 173.700 0.500 25800 2589 1 6 . 1 1 17 17 SER CA C 17 58.200 58.200 60.146 -1.946 25800 2590 1 6 . 1 1 17 17 SER CB C 17 63.900 63.900 62.350 1.550 25800 2591 1 6 . 1 1 17 17 SER H H 17 8.470 8.470 8.651 -0.181 25800 2592 1 6 . 1 1 18 18 HIS N N 18 120.800 120.800 119.589 1.211 25800 2593 1 6 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.720 -0.170 25800 2594 1 6 . 1 1 18 18 HIS C C 18 175.100 175.100 173.940 1.160 25800 2595 1 6 . 1 1 18 18 HIS CA C 18 55.500 55.500 54.483 1.017 25800 2596 1 6 . 1 1 18 18 HIS CB C 18 29.300 29.300 29.028 0.272 25800 2597 1 6 . 1 1 18 18 HIS H H 18 8.540 8.540 8.022 0.518 25800 2598 1 6 . 1 1 19 19 VAL N N 19 115.700 115.700 122.524 -6.824 25800 2599 1 6 . 1 1 19 19 VAL HA H 19 4.260 4.260 3.815 0.445 25800 2600 1 6 . 1 1 19 19 VAL C C 19 174.000 174.000 175.758 -1.758 25800 2601 1 6 . 1 1 19 19 VAL CA C 19 61.900 61.900 63.145 -1.245 25800 2602 1 6 . 1 1 19 19 VAL CB C 19 32.600 32.600 32.644 -0.044 25800 2603 1 6 . 1 1 19 19 VAL H H 19 6.650 6.650 8.054 -1.404 25800 2604 1 6 . 1 1 20 20 SER N N 20 118.800 118.800 123.487 -4.687 25800 2605 1 6 . 1 1 20 20 SER HA H 20 4.710 4.710 4.595 0.115 25800 2606 1 6 . 1 1 20 20 SER C C 20 175.900 175.900 175.762 0.138 25800 2607 1 6 . 1 1 20 20 SER CA C 20 55.800 55.800 58.399 -2.599 25800 2608 1 6 . 1 1 20 20 SER CB C 20 66.600 66.600 64.103 2.497 25800 2609 1 6 . 1 1 20 20 SER H H 20 8.930 8.930 8.600 0.330 25800 2610 1 6 . 1 1 21 21 SER N N 21 117.100 117.100 120.655 -3.555 25800 2611 1 6 . 1 1 21 21 SER HA H 21 3.880 3.880 4.146 -0.266 25800 2612 1 6 . 1 1 21 21 SER C C 21 176.200 176.200 176.448 -0.248 25800 2613 1 6 . 1 1 21 21 SER CA C 21 62.300 62.300 61.928 0.372 25800 2614 1 6 . 1 1 21 21 SER CB C 21 66.800 66.800 63.239 3.561 25800 2615 1 6 . 1 1 21 21 SER H H 21 9.080 9.080 9.084 -0.004 25800 2616 1 6 . 1 1 22 22 ARG N N 22 121.200 121.200 120.355 0.845 25800 2617 1 6 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.187 -0.197 25800 2618 1 6 . 1 1 22 22 ARG C C 22 177.900 177.900 178.354 -0.454 25800 2619 1 6 . 1 1 22 22 ARG CA C 22 58.700 58.700 59.228 -0.528 25800 2620 1 6 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.763 -0.163 25800 2621 1 6 . 1 1 22 22 ARG H H 22 7.940 7.940 8.488 -0.548 25800 2622 1 6 . 1 1 23 23 ASP N N 23 118.800 118.800 120.343 -1.543 25800 2623 1 6 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.522 -0.132 25800 2624 1 6 . 1 1 23 23 ASP C C 23 179.200 179.200 178.462 0.738 25800 2625 1 6 . 1 1 23 23 ASP CA C 23 57.300 57.300 57.081 0.219 25800 2626 1 6 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.596 0.404 25800 2627 1 6 . 1 1 23 23 ASP H H 23 7.480 7.480 7.876 -0.396 25800 2628 1 6 . 1 1 24 24 VAL N N 24 119.500 119.500 117.558 1.942 25800 2629 1 6 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.679 -0.309 25800 2630 1 6 . 1 1 24 24 VAL C C 24 177.500 177.500 177.523 -0.023 25800 2631 1 6 . 1 1 24 24 VAL CA C 24 66.900 66.900 65.950 0.951 25800 2632 1 6 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.417 -0.017 25800 2633 1 6 . 1 1 24 24 VAL H H 24 7.450 7.450 7.604 -0.154 25800 2634 1 6 . 1 1 25 25 GLU N N 25 121.400 121.400 120.973 0.427 25800 2635 1 6 . 1 1 25 25 GLU HA H 25 3.570 3.570 3.998 -0.428 25800 2636 1 6 . 1 1 25 25 GLU C C 25 178.400 178.400 178.749 -0.349 25800 2637 1 6 . 1 1 25 25 GLU CA C 25 60.600 60.600 60.189 0.411 25800 2638 1 6 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.442 0.159 25800 2639 1 6 . 1 1 25 25 GLU H H 25 8.580 8.580 8.657 -0.077 25800 2640 1 6 . 1 1 26 26 ASN N N 26 114.800 114.800 116.132 -1.332 25800 2641 1 6 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.524 -0.204 25800 2642 1 6 . 1 1 26 26 ASN C C 26 177.400 177.400 177.592 -0.192 25800 2643 1 6 . 1 1 26 26 ASN CA C 26 55.900 55.900 55.539 0.360 25800 2644 1 6 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.473 -0.573 25800 2645 1 6 . 1 1 26 26 ASN H H 26 8.180 8.180 7.835 0.345 25800 2646 1 6 . 1 1 27 27 GLU N N 27 118.900 118.900 120.647 -1.747 25800 2647 1 6 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.098 0.042 25800 2648 1 6 . 1 1 27 27 GLU C C 27 176.400 176.400 178.824 -2.424 25800 2649 1 6 . 1 1 27 27 GLU CA C 27 57.400 57.400 58.826 -1.426 25800 2650 1 6 . 1 1 27 27 GLU CB C 27 29.400 29.400 29.668 -0.268 25800 2651 1 6 . 1 1 27 27 GLU H H 27 7.340 7.340 7.898 -0.558 25800 2652 1 6 . 1 1 28 28 PHE N N 28 114.100 114.100 118.063 -3.963 25800 2653 1 6 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.557 -0.007 25800 2654 1 6 . 1 1 28 28 PHE C C 28 176.300 176.300 178.230 -1.930 25800 2655 1 6 . 1 1 28 28 PHE CA C 28 60.000 60.000 59.521 0.479 25800 2656 1 6 . 1 1 28 28 PHE CB C 28 40.800 40.800 38.458 2.342 25800 2657 1 6 . 1 1 28 28 PHE H H 28 7.660 7.660 8.343 -0.683 25800 2658 1 6 . 1 1 29 29 ARG N N 29 121.700 121.700 120.364 1.336 25800 2659 1 6 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.222 0.188 25800 2660 1 6 . 1 1 29 29 ARG C C 29 177.100 177.100 177.318 -0.218 25800 2661 1 6 . 1 1 29 29 ARG CA C 29 58.200 58.200 58.678 -0.478 25800 2662 1 6 . 1 1 29 29 ARG CB C 29 29.300 29.300 29.856 -0.556 25800 2663 1 6 . 1 1 29 29 ARG H H 29 8.120 8.120 7.901 0.219 25800 2664 1 6 . 1 1 30 30 LYS N N 30 117.200 117.200 118.742 -1.542 25800 2665 1 6 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.085 -0.255 25800 2666 1 6 . 1 1 30 30 LYS C C 30 177.100 177.100 178.141 -1.041 25800 2667 1 6 . 1 1 30 30 LYS CA C 30 57.800 57.800 58.755 -0.955 25800 2668 1 6 . 1 1 30 30 LYS CB C 30 31.100 31.100 32.632 -1.532 25800 2669 1 6 . 1 1 30 30 LYS H H 30 7.630 7.630 7.634 -0.004 25800 2670 1 6 . 1 1 31 31 TYR N N 31 117.100 117.100 116.099 1.001 25800 2671 1 6 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.555 -0.405 25800 2672 1 6 . 1 1 31 31 TYR C C 31 174.400 174.400 176.137 -1.737 25800 2673 1 6 . 1 1 31 31 TYR CA C 31 59.900 59.900 58.623 1.277 25800 2674 1 6 . 1 1 31 31 TYR CB C 31 37.900 37.900 40.140 -2.240 25800 2675 1 6 . 1 1 31 31 TYR H H 31 7.410 7.410 8.079 -0.669 25800 2676 1 6 . 1 1 32 32 GLY N N 32 104.100 104.100 103.958 0.142 25800 2677 1 6 . 1 1 32 32 GLY C C 32 177.000 177.000 172.585 4.415 25800 2678 1 6 . 1 1 32 32 GLY CA C 32 44.500 44.500 45.137 -0.637 25800 2679 1 6 . 1 1 32 32 GLY H H 32 7.240 7.240 7.470 -0.230 25800 2680 1 6 . 1 1 33 33 ASN N N 33 115.300 115.300 120.933 -5.633 25800 2681 1 6 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.592 -0.152 25800 2682 1 6 . 1 1 33 33 ASN C C 33 175.500 175.500 175.428 0.072 25800 2683 1 6 . 1 1 33 33 ASN CA C 33 54.300 54.300 53.217 1.083 25800 2684 1 6 . 1 1 33 33 ASN CB C 33 38.400 38.400 37.620 0.780 25800 2685 1 6 . 1 1 33 33 ASN H H 33 8.460 8.460 8.931 -0.471 25800 2686 1 6 . 1 1 34 34 ILE N N 34 126.700 126.700 123.680 3.020 25800 2687 1 6 . 1 1 34 34 ILE HA H 34 3.790 3.790 3.974 -0.184 25800 2688 1 6 . 1 1 34 34 ILE C C 34 175.600 175.600 176.091 -0.491 25800 2689 1 6 . 1 1 34 34 ILE CA C 34 61.300 61.300 62.288 -0.988 25800 2690 1 6 . 1 1 34 34 ILE CB C 34 40.000 40.000 38.321 1.679 25800 2691 1 6 . 1 1 34 34 ILE H H 34 8.050 8.050 7.826 0.224 25800 2692 1 6 . 1 1 35 35 LEU N N 35 127.400 127.400 129.048 -1.648 25800 2693 1 6 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.378 -0.218 25800 2694 1 6 . 1 1 35 35 LEU C C 35 177.200 177.200 176.711 0.489 25800 2695 1 6 . 1 1 35 35 LEU CA C 35 55.500 55.500 56.040 -0.540 25800 2696 1 6 . 1 1 35 35 LEU CB C 35 42.700 42.700 42.962 -0.262 25800 2697 1 6 . 1 1 35 35 LEU H H 35 8.780 8.780 8.915 -0.135 25800 2698 1 6 . 1 1 36 36 LYS N N 36 117.000 117.000 117.623 -0.623 25800 2699 1 6 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.602 -0.362 25800 2700 1 6 . 1 1 36 36 LYS C C 36 173.600 173.600 173.937 -0.337 25800 2701 1 6 . 1 1 36 36 LYS CA C 36 55.900 55.900 55.620 0.280 25800 2702 1 6 . 1 1 36 36 LYS CB C 36 36.600 36.600 35.474 1.126 25800 2703 1 6 . 1 1 36 36 LYS H H 36 7.110 7.110 7.687 -0.577 25800 2704 1 6 . 1 1 37 37 CYS N N 37 125.400 125.400 120.150 5.250 25800 2705 1 6 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.832 -1.132 25800 2706 1 6 . 1 1 37 37 CYS C C 37 171.600 171.600 172.945 -1.345 25800 2707 1 6 . 1 1 37 37 CYS CA C 37 57.900 57.900 56.652 1.248 25800 2708 1 6 . 1 1 37 37 CYS CB C 37 27.100 27.100 31.850 -4.750 25800 2709 1 6 . 1 1 37 37 CYS H H 37 8.610 8.610 8.633 -0.023 25800 2710 1 6 . 1 1 38 38 ASP N N 38 128.200 128.200 121.308 6.892 25800 2711 1 6 . 1 1 38 38 ASP HA H 38 4.950 4.950 5.189 -0.239 25800 2712 1 6 . 1 1 38 38 ASP C C 38 174.300 174.300 174.439 -0.139 25800 2713 1 6 . 1 1 38 38 ASP CA C 38 53.200 53.200 53.979 -0.779 25800 2714 1 6 . 1 1 38 38 ASP CB C 38 44.300 44.300 45.992 -1.692 25800 2715 1 6 . 1 1 38 38 ASP H H 38 8.290 8.290 8.517 -0.227 25800 2716 1 6 . 1 1 39 39 VAL N N 39 123.500 123.500 119.681 3.819 25800 2717 1 6 . 1 1 39 39 VAL HA H 39 4.300 4.300 4.924 -0.624 25800 2718 1 6 . 1 1 39 39 VAL C C 39 175.000 175.000 175.376 -0.376 25800 2719 1 6 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.070 0.630 25800 2720 1 6 . 1 1 39 39 VAL CB C 39 33.100 33.100 34.119 -1.019 25800 2721 1 6 . 1 1 39 39 VAL H H 39 8.380 8.380 8.699 -0.319 25800 2722 1 6 . 1 1 40 40 LYS N N 40 129.100 129.100 125.633 3.467 25800 2723 1 6 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.955 -0.635 25800 2724 1 6 . 1 1 40 40 LYS C C 40 173.700 173.700 174.568 -0.868 25800 2725 1 6 . 1 1 40 40 LYS CA C 40 53.900 53.900 54.375 -0.475 25800 2726 1 6 . 1 1 40 40 LYS CB C 40 35.500 35.500 35.964 -0.464 25800 2727 1 6 . 1 1 40 40 LYS H H 40 8.680 8.680 9.233 -0.553 25800 2728 1 6 . 1 1 41 41 LYS N N 41 117.300 117.300 121.090 -3.790 25800 2729 1 6 . 1 1 41 41 LYS HA H 41 4.980 4.980 5.530 -0.550 25800 2730 1 6 . 1 1 41 41 LYS C C 41 177.800 177.800 175.691 2.109 25800 2731 1 6 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.638 -0.038 25800 2732 1 6 . 1 1 41 41 LYS CB C 41 35.000 35.000 35.590 -0.590 25800 2733 1 6 . 1 1 41 41 LYS H H 41 7.900 7.900 8.396 -0.496 25800 2734 1 6 . 1 1 42 42 THR N N 42 113.200 113.200 113.610 -0.410 25800 2735 1 6 . 1 1 42 42 THR HA H 42 4.680 4.680 4.742 -0.062 25800 2736 1 6 . 1 1 42 42 THR C C 42 176.900 176.900 176.488 0.412 25800 2737 1 6 . 1 1 42 42 THR CA C 42 60.200 60.200 60.674 -0.474 25800 2738 1 6 . 1 1 42 42 THR CB C 42 71.600 71.600 69.798 1.802 25800 2739 1 6 . 1 1 42 42 THR H H 42 8.730 8.730 8.593 0.137 25800 2740 1 6 . 1 1 43 43 VAL N N 43 120.000 120.000 118.372 1.628 25800 2741 1 6 . 1 1 43 43 VAL HA H 43 3.920 3.920 4.006 -0.086 25800 2742 1 6 . 1 1 43 43 VAL C C 43 177.000 177.000 176.815 0.185 25800 2743 1 6 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.479 0.221 25800 2744 1 6 . 1 1 43 43 VAL CB C 43 31.800 31.800 31.591 0.209 25800 2745 1 6 . 1 1 43 43 VAL H H 43 8.730 8.730 8.483 0.247 25800 2746 1 6 . 1 1 44 44 SER N N 44 113.400 113.400 115.715 -2.315 25800 2747 1 6 . 1 1 44 44 SER HA H 44 4.360 4.360 4.376 -0.016 25800 2748 1 6 . 1 1 44 44 SER C C 44 174.800 174.800 175.439 -0.639 25800 2749 1 6 . 1 1 44 44 SER CA C 44 58.400 58.400 58.473 -0.073 25800 2750 1 6 . 1 1 44 44 SER CB C 44 63.500 63.500 63.296 0.204 25800 2751 1 6 . 1 1 44 44 SER H H 44 7.760 7.760 8.016 -0.256 25800 2752 1 6 . 1 1 45 45 GLY N N 45 110.200 110.200 108.863 1.337 25800 2753 1 6 . 1 1 45 45 GLY C C 45 173.500 173.500 173.968 -0.468 25800 2754 1 6 . 1 1 45 45 GLY CA C 45 45.300 45.300 45.069 0.231 25800 2755 1 6 . 1 1 45 45 GLY H H 45 7.820 7.820 7.776 0.044 25800 2756 1 6 . 1 1 46 46 ALA N N 46 123.900 123.900 123.021 0.879 25800 2757 1 6 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.359 0.031 25800 2758 1 6 . 1 1 46 46 ALA C C 46 176.100 176.100 175.587 0.513 25800 2759 1 6 . 1 1 46 46 ALA CA C 46 51.900 51.900 51.729 0.171 25800 2760 1 6 . 1 1 46 46 ALA CB C 46 19.800 19.800 19.960 -0.160 25800 2761 1 6 . 1 1 46 46 ALA H H 46 7.440 7.440 7.515 -0.075 25800 2762 1 6 . 1 1 47 47 ALA N N 47 123.100 123.100 124.569 -1.469 25800 2763 1 6 . 1 1 47 47 ALA HA H 47 5.200 5.200 5.249 -0.049 25800 2764 1 6 . 1 1 47 47 ALA C C 47 176.100 176.100 175.555 0.545 25800 2765 1 6 . 1 1 47 47 ALA CA C 47 50.900 50.900 50.238 0.662 25800 2766 1 6 . 1 1 47 47 ALA CB C 47 21.900 21.900 21.742 0.158 25800 2767 1 6 . 1 1 47 47 ALA H H 47 8.350 8.350 8.000 0.350 25800 2768 1 6 . 1 1 48 48 PHE N N 48 118.700 118.700 119.601 -0.901 25800 2769 1 6 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.299 -0.269 25800 2770 1 6 . 1 1 48 48 PHE C C 48 171.600 171.600 174.118 -2.518 25800 2771 1 6 . 1 1 48 48 PHE CA C 48 55.700 55.700 56.831 -1.131 25800 2772 1 6 . 1 1 48 48 PHE CB C 48 41.200 41.200 43.605 -2.405 25800 2773 1 6 . 1 1 48 48 PHE H H 48 8.550 8.550 9.006 -0.456 25800 2774 1 6 . 1 1 49 49 ALA N N 49 120.400 120.400 124.684 -4.284 25800 2775 1 6 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.420 -0.090 25800 2776 1 6 . 1 1 49 49 ALA C C 49 175.500 175.500 175.173 0.327 25800 2777 1 6 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.060 -0.760 25800 2778 1 6 . 1 1 49 49 ALA CB C 49 23.700 23.700 22.188 1.512 25800 2779 1 6 . 1 1 49 49 ALA H H 49 9.240 9.240 8.217 1.023 25800 2780 1 6 . 1 1 50 50 PHE N N 50 115.000 115.000 119.014 -4.014 25800 2781 1 6 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.672 -0.072 25800 2782 1 6 . 1 1 50 50 PHE C C 50 176.000 176.000 174.417 1.583 25800 2783 1 6 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.358 0.142 25800 2784 1 6 . 1 1 50 50 PHE CB C 50 42.200 42.200 43.375 -1.175 25800 2785 1 6 . 1 1 50 50 PHE H H 50 7.920 7.920 8.811 -0.891 25800 2786 1 6 . 1 1 51 51 ILE N N 51 123.000 123.000 122.128 0.872 25800 2787 1 6 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.661 -0.211 25800 2788 1 6 . 1 1 51 51 ILE C C 51 173.700 173.700 174.320 -0.620 25800 2789 1 6 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.712 -0.512 25800 2790 1 6 . 1 1 51 51 ILE CB C 51 40.700 40.700 40.722 -0.022 25800 2791 1 6 . 1 1 51 51 ILE H H 51 8.490 8.490 8.898 -0.408 25800 2792 1 6 . 1 1 52 52 GLU N N 52 126.600 126.600 127.133 -0.533 25800 2793 1 6 . 1 1 52 52 GLU HA H 52 4.770 4.770 4.753 0.017 25800 2794 1 6 . 1 1 52 52 GLU C C 52 175.300 175.300 175.501 -0.201 25800 2795 1 6 . 1 1 52 52 GLU CA C 52 54.700 54.700 55.997 -1.297 25800 2796 1 6 . 1 1 52 52 GLU CB C 52 31.500 31.500 31.543 -0.043 25800 2797 1 6 . 1 1 52 52 GLU H H 52 8.610 8.610 9.017 -0.407 25800 2798 1 6 . 1 1 53 53 PHE N N 53 126.100 126.100 125.700 0.400 25800 2799 1 6 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.754 0.046 25800 2800 1 6 . 1 1 53 53 PHE C C 53 175.400 175.400 175.001 0.399 25800 2801 1 6 . 1 1 53 53 PHE CA C 53 58.200 58.200 56.035 2.166 25800 2802 1 6 . 1 1 53 53 PHE CB C 53 40.900 40.900 40.309 0.591 25800 2803 1 6 . 1 1 53 53 PHE H H 53 8.800 8.800 8.963 -0.163 25800 2804 1 6 . 1 1 54 54 GLU N N 54 120.700 120.700 120.785 -0.085 25800 2805 1 6 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.206 -0.276 25800 2806 1 6 . 1 1 54 54 GLU C C 54 175.300 175.300 175.839 -0.539 25800 2807 1 6 . 1 1 54 54 GLU CA C 54 59.100 59.100 58.249 0.851 25800 2808 1 6 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.645 0.155 25800 2809 1 6 . 1 1 54 54 GLU H H 54 8.160 8.160 8.670 -0.510 25800 2810 1 6 . 1 1 55 55 ASP N N 55 117.900 117.900 117.701 0.199 25800 2811 1 6 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.797 0.123 25800 2812 1 6 . 1 1 55 55 ASP C C 55 176.400 176.400 175.477 0.923 25800 2813 1 6 . 1 1 55 55 ASP CA C 55 52.400 52.400 53.025 -0.625 25800 2814 1 6 . 1 1 55 55 ASP CB C 55 44.400 44.400 42.022 2.378 25800 2815 1 6 . 1 1 55 55 ASP H H 55 8.740 8.740 8.003 0.737 25800 2816 1 6 . 1 1 56 56 ALA N N 56 128.900 128.900 126.666 2.234 25800 2817 1 6 . 1 1 56 56 ALA HA H 56 3.830 3.830 4.343 -0.513 25800 2818 1 6 . 1 1 56 56 ALA C C 56 179.800 179.800 179.669 0.131 25800 2819 1 6 . 1 1 56 56 ALA CA C 56 55.200 55.200 55.187 0.013 25800 2820 1 6 . 1 1 56 56 ALA CB C 56 18.900 18.900 19.161 -0.261 25800 2821 1 6 . 1 1 56 56 ALA H H 56 8.800 8.800 8.915 -0.115 25800 2822 1 6 . 1 1 57 57 ARG N N 57 119.200 119.200 117.913 1.287 25800 2823 1 6 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.114 -0.224 25800 2824 1 6 . 1 1 57 57 ARG C C 57 178.000 178.000 178.455 -0.455 25800 2825 1 6 . 1 1 57 57 ARG CA C 57 58.900 58.900 59.339 -0.439 25800 2826 1 6 . 1 1 57 57 ARG CB C 57 29.300 29.300 29.493 -0.193 25800 2827 1 6 . 1 1 57 57 ARG H H 57 8.950 8.950 8.496 0.454 25800 2828 1 6 . 1 1 58 58 ASP N N 58 120.900 120.900 118.081 2.819 25800 2829 1 6 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.542 -0.452 25800 2830 1 6 . 1 1 58 58 ASP C C 58 176.700 176.700 177.802 -1.102 25800 2831 1 6 . 1 1 58 58 ASP CA C 58 56.500 56.500 56.424 0.076 25800 2832 1 6 . 1 1 58 58 ASP CB C 58 39.900 39.900 40.665 -0.765 25800 2833 1 6 . 1 1 58 58 ASP H H 58 7.020 7.020 8.026 -1.006 25800 2834 1 6 . 1 1 59 59 ALA N N 59 119.700 119.700 122.263 -2.563 25800 2835 1 6 . 1 1 59 59 ALA HA H 59 3.080 3.080 4.227 -1.147 25800 2836 1 6 . 1 1 59 59 ALA C C 59 178.100 178.100 179.606 -1.506 25800 2837 1 6 . 1 1 59 59 ALA CA C 59 54.300 54.300 55.053 -0.753 25800 2838 1 6 . 1 1 59 59 ALA CB C 59 18.400 18.400 18.933 -0.533 25800 2839 1 6 . 1 1 59 59 ALA H H 59 6.440 6.440 7.782 -1.342 25800 2840 1 6 . 1 1 60 60 ALA N N 60 117.600 117.600 120.353 -2.753 25800 2841 1 6 . 1 1 60 60 ALA HA H 60 3.830 3.830 4.087 -0.257 25800 2842 1 6 . 1 1 60 60 ALA C C 60 180.900 180.900 179.138 1.762 25800 2843 1 6 . 1 1 60 60 ALA CA C 60 54.900 54.900 55.347 -0.447 25800 2844 1 6 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.300 -0.600 25800 2845 1 6 . 1 1 60 60 ALA H H 60 7.330 7.330 8.379 -1.049 25800 2846 1 6 . 1 1 61 61 ASP N N 61 120.100 120.100 118.234 1.866 25800 2847 1 6 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.470 -0.260 25800 2848 1 6 . 1 1 61 61 ASP C C 61 176.700 176.700 177.209 -0.509 25800 2849 1 6 . 1 1 61 61 ASP CA C 61 57.100 57.100 56.607 0.493 25800 2850 1 6 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.312 -0.212 25800 2851 1 6 . 1 1 61 61 ASP H H 61 7.590 7.590 8.030 -0.440 25800 2852 1 6 . 1 1 62 62 ALA N N 62 122.200 122.200 121.146 1.054 25800 2853 1 6 . 1 1 62 62 ALA HA H 62 2.420 2.420 4.223 -1.803 25800 2854 1 6 . 1 1 62 62 ALA C C 62 179.300 179.300 179.756 -0.456 25800 2855 1 6 . 1 1 62 62 ALA CA C 62 54.600 54.600 53.755 0.845 25800 2856 1 6 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.820 0.280 25800 2857 1 6 . 1 1 62 62 ALA H H 62 7.440 7.440 7.402 0.038 25800 2858 1 6 . 1 1 63 63 ILE N N 63 116.700 116.700 120.432 -3.732 25800 2859 1 6 . 1 1 63 63 ILE HA H 63 3.240 3.240 4.206 -0.966 25800 2860 1 6 . 1 1 63 63 ILE C C 63 177.800 177.800 177.640 0.160 25800 2861 1 6 . 1 1 63 63 ILE CA C 63 65.600 65.600 63.297 2.303 25800 2862 1 6 . 1 1 63 63 ILE CB C 63 38.900 38.900 38.051 0.849 25800 2863 1 6 . 1 1 63 63 ILE H H 63 7.540 7.540 8.368 -0.828 25800 2864 1 6 . 1 1 64 64 LYS N N 64 117.400 117.400 119.352 -1.952 25800 2865 1 6 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.159 -0.259 25800 2866 1 6 . 1 1 64 64 LYS C C 64 178.900 178.900 177.437 1.463 25800 2867 1 6 . 1 1 64 64 LYS CA C 64 58.800 58.800 58.407 0.393 25800 2868 1 6 . 1 1 64 64 LYS CB C 64 32.600 32.600 31.425 1.175 25800 2869 1 6 . 1 1 64 64 LYS H H 64 7.490 7.490 8.294 -0.804 25800 2870 1 6 . 1 1 65 65 GLU N N 65 113.800 113.800 116.435 -2.635 25800 2871 1 6 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.427 -0.267 25800 2872 1 6 . 1 1 65 65 GLU C C 65 178.300 178.300 177.279 1.021 25800 2873 1 6 . 1 1 65 65 GLU CA C 65 58.300 58.300 57.525 0.775 25800 2874 1 6 . 1 1 65 65 GLU CB C 65 30.700 30.700 29.455 1.245 25800 2875 1 6 . 1 1 65 65 GLU H H 65 7.960 7.960 7.836 0.124 25800 2876 1 6 . 1 1 66 66 LYS N N 66 114.700 114.700 118.484 -3.784 25800 2877 1 6 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.537 -0.067 25800 2878 1 6 . 1 1 66 66 LYS C C 66 177.500 177.500 176.068 1.432 25800 2879 1 6 . 1 1 66 66 LYS CA C 66 54.400 54.400 55.196 -0.796 25800 2880 1 6 . 1 1 66 66 LYS CB C 66 33.000 33.000 32.328 0.673 25800 2881 1 6 . 1 1 66 66 LYS H H 66 8.050 8.050 7.840 0.210 25800 2882 1 6 . 1 1 67 67 ASP N N 67 118.800 118.800 119.576 -0.776 25800 2883 1 6 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.480 -0.260 25800 2884 1 6 . 1 1 67 67 ASP C C 67 177.700 177.700 177.973 -0.273 25800 2885 1 6 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.358 4.042 25800 2886 1 6 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.104 0.296 25800 2887 1 6 . 1 1 67 67 ASP H H 67 7.620 7.620 7.380 0.240 25800 2888 1 6 . 1 1 68 68 GLY N N 68 115.600 115.600 108.018 7.582 25800 2889 1 6 . 1 1 68 68 GLY C C 68 173.800 173.800 174.763 -0.963 25800 2890 1 6 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.893 1.007 25800 2891 1 6 . 1 1 68 68 GLY H H 68 8.470 8.470 8.551 -0.081 25800 2892 1 6 . 1 1 69 69 CYS N N 69 119.200 119.200 119.685 -0.485 25800 2893 1 6 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.718 -0.557 25800 2894 1 6 . 1 1 69 69 CYS C C 69 172.600 172.600 173.763 -1.163 25800 2895 1 6 . 1 1 69 69 CYS CA C 69 58.000 58.000 58.080 -0.080 25800 2896 1 6 . 1 1 69 69 CYS CB C 69 28.700 28.700 29.067 -0.367 25800 2897 1 6 . 1 1 69 69 CYS H H 69 7.890 7.890 8.008 -0.118 25800 2898 1 6 . 1 1 70 70 ASP N N 70 122.200 122.200 124.035 -1.835 25800 2899 1 6 . 1 1 70 70 ASP HA H 70 4.830 4.830 4.399 0.431 25800 2900 1 6 . 1 1 70 70 ASP C C 70 176.400 176.400 174.069 2.331 25800 2901 1 6 . 1 1 70 70 ASP CA C 70 54.700 54.700 53.457 1.243 25800 2902 1 6 . 1 1 70 70 ASP CB C 70 42.700 42.700 44.020 -1.320 25800 2903 1 6 . 1 1 70 70 ASP H H 70 8.360 8.360 8.786 -0.426 25800 2904 1 6 . 1 1 71 71 PHE N N 71 127.600 127.600 120.148 7.452 25800 2905 1 6 . 1 1 71 71 PHE HA H 71 4.600 4.600 5.317 -0.717 25800 2906 1 6 . 1 1 71 71 PHE C C 71 173.600 173.600 175.414 -1.814 25800 2907 1 6 . 1 1 71 71 PHE CA C 71 56.800 56.800 56.837 -0.037 25800 2908 1 6 . 1 1 71 71 PHE CB C 71 40.700 40.700 41.005 -0.305 25800 2909 1 6 . 1 1 71 71 PHE H H 71 9.390 9.390 7.611 1.779 25800 2910 1 6 . 1 1 72 72 GLU N N 72 123.900 123.900 118.635 5.265 25800 2911 1 6 . 1 1 72 72 GLU HA H 72 3.540 3.540 4.169 -0.629 25800 2912 1 6 . 1 1 72 72 GLU C C 72 175.500 175.500 176.161 -0.661 25800 2913 1 6 . 1 1 72 72 GLU CA C 72 56.700 56.700 57.213 -0.513 25800 2914 1 6 . 1 1 72 72 GLU CB C 72 27.300 27.300 28.219 -0.919 25800 2915 1 6 . 1 1 72 72 GLU H H 72 8.940 8.940 9.444 -0.504 25800 2916 1 6 . 1 1 73 73 GLY N N 73 105.200 105.200 104.151 1.049 25800 2917 1 6 . 1 1 73 73 GLY C C 73 174.100 174.100 173.755 0.345 25800 2918 1 6 . 1 1 73 73 GLY CA C 73 45.600 45.600 45.167 0.433 25800 2919 1 6 . 1 1 73 73 GLY H H 73 8.350 8.350 8.201 0.149 25800 2920 1 6 . 1 1 74 74 ASN N N 74 121.000 121.000 119.079 1.921 25800 2921 1 6 . 1 1 74 74 ASN HA H 74 4.760 4.760 5.003 -0.243 25800 2922 1 6 . 1 1 74 74 ASN C C 74 174.000 174.000 173.619 0.381 25800 2923 1 6 . 1 1 74 74 ASN CA C 74 50.900 50.900 52.431 -1.530 25800 2924 1 6 . 1 1 74 74 ASN CB C 74 39.700 39.700 40.582 -0.882 25800 2925 1 6 . 1 1 74 74 ASN H H 74 7.740 7.740 7.898 -0.158 25800 2926 1 6 . 1 1 75 75 LYS N N 75 121.400 121.400 121.265 0.135 25800 2927 1 6 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.570 -0.100 25800 2928 1 6 . 1 1 75 75 LYS C C 75 176.900 176.900 174.428 2.472 25800 2929 1 6 . 1 1 75 75 LYS CA C 75 55.300 55.300 55.689 -0.389 25800 2930 1 6 . 1 1 75 75 LYS CB C 75 31.900 31.900 32.023 -0.123 25800 2931 1 6 . 1 1 75 75 LYS H H 75 8.380 8.380 8.660 -0.280 25800 2932 1 6 . 1 1 76 76 LEU N N 76 127.400 127.400 121.292 6.108 25800 2933 1 6 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.535 -0.105 25800 2934 1 6 . 1 1 76 76 LEU C C 76 177.600 177.600 174.143 3.457 25800 2935 1 6 . 1 1 76 76 LEU CA C 76 55.300 55.300 54.986 0.314 25800 2936 1 6 . 1 1 76 76 LEU CB C 76 43.100 43.100 45.128 -2.028 25800 2937 1 6 . 1 1 76 76 LEU H H 76 8.950 8.950 8.292 0.658 25800 2938 1 6 . 1 1 77 77 ARG N N 77 121.800 121.800 126.436 -4.636 25800 2939 1 6 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.755 0.145 25800 2940 1 6 . 1 1 77 77 ARG C C 77 174.700 174.700 174.269 0.431 25800 2941 1 6 . 1 1 77 77 ARG CA C 77 54.000 54.000 54.470 -0.470 25800 2942 1 6 . 1 1 77 77 ARG CB C 77 32.300 32.300 31.245 1.055 25800 2943 1 6 . 1 1 77 77 ARG H H 77 7.530 7.530 8.434 -0.904 25800 2944 1 6 . 1 1 78 78 VAL N N 78 127.000 127.000 127.281 -0.281 25800 2945 1 6 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.071 1.209 25800 2946 1 6 . 1 1 78 78 VAL C C 78 174.200 174.200 175.197 -0.997 25800 2947 1 6 . 1 1 78 78 VAL CA C 78 61.200 61.200 63.288 -2.088 25800 2948 1 6 . 1 1 78 78 VAL CB C 78 33.400 33.400 32.272 1.128 25800 2949 1 6 . 1 1 78 78 VAL H H 78 9.660 9.660 8.723 0.937 25800 2950 1 6 . 1 1 79 79 GLU N N 79 121.900 121.900 128.145 -6.245 25800 2951 1 6 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.591 0.119 25800 2952 1 6 . 1 1 79 79 GLU C C 79 174.600 174.600 174.169 0.431 25800 2953 1 6 . 1 1 79 79 GLU CA C 79 53.900 53.900 55.545 -1.645 25800 2954 1 6 . 1 1 79 79 GLU CB C 79 34.400 34.400 34.273 0.127 25800 2955 1 6 . 1 1 79 79 GLU H H 79 8.980 8.980 8.300 0.680 25800 2956 1 6 . 1 1 80 80 VAL N N 80 121.300 121.300 124.981 -3.681 25800 2957 1 6 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.228 0.142 25800 2958 1 6 . 1 1 80 80 VAL CA C 80 61.000 61.000 59.344 1.656 25800 2959 1 6 . 1 1 80 80 VAL CB C 80 32.100 32.100 32.394 -0.294 25800 2960 1 6 . 1 1 80 80 VAL H H 80 8.410 8.410 8.488 -0.078 25800 2961 1 6 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.432 -0.172 25800 2962 1 6 . 1 1 81 81 PRO C C 81 176.100 176.100 176.930 -0.830 25800 2963 1 6 . 1 1 81 81 PRO CA C 81 63.100 63.100 64.269 -1.169 25800 2964 1 6 . 1 1 81 81 PRO CB C 81 32.100 32.100 32.103 -0.003 25800 2965 1 6 . 1 1 82 82 PHE N N 82 122.200 122.200 115.437 6.763 25800 2966 1 6 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.718 -0.428 25800 2967 1 6 . 1 1 82 82 PHE C C 82 175.300 175.300 175.539 -0.239 25800 2968 1 6 . 1 1 82 82 PHE CA C 82 58.100 58.100 55.175 2.925 25800 2969 1 6 . 1 1 82 82 PHE CB C 82 39.400 39.400 37.535 1.865 25800 2970 1 6 . 1 1 82 82 PHE H H 82 8.150 8.150 7.767 0.383 25800 2971 1 6 . 1 1 83 83 ASN N N 83 120.800 120.800 121.482 -0.682 25800 2972 1 6 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.431 0.009 25800 2973 1 6 . 1 1 83 83 ASN C C 83 174.100 174.100 174.597 -0.497 25800 2974 1 6 . 1 1 83 83 ASN CA C 83 52.700 52.700 52.464 0.236 25800 2975 1 6 . 1 1 83 83 ASN CB C 83 38.700 38.700 36.317 2.383 25800 2976 1 6 . 1 1 83 83 ASN H H 83 8.110 8.110 8.470 -0.360 25800 2977 1 6 . 1 1 84 84 ALA N N 84 123.700 123.700 122.178 1.522 25800 2978 1 6 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.670 -0.590 25800 2979 1 6 . 1 1 84 84 ALA C C 84 177.100 177.100 176.126 0.974 25800 2980 1 6 . 1 1 84 84 ALA CA C 84 52.400 52.400 52.146 0.254 25800 2981 1 6 . 1 1 84 84 ALA CB C 84 19.100 19.100 20.768 -1.668 25800 2982 1 6 . 1 1 84 84 ALA H H 84 8.020 8.020 7.607 0.413 25800 2983 1 6 . 1 1 85 85 ARG N N 85 120.200 120.200 119.587 0.613 25800 2984 1 6 . 1 1 85 85 ARG HA H 85 4.150 4.150 4.457 -0.307 25800 2985 1 6 . 1 1 85 85 ARG C C 85 175.200 175.200 175.145 0.055 25800 2986 1 6 . 1 1 85 85 ARG CA C 85 56.000 56.000 56.293 -0.293 25800 2987 1 6 . 1 1 85 85 ARG CB C 85 30.800 30.800 31.572 -0.772 25800 2988 1 6 . 1 1 85 85 ARG H H 85 8.040 8.040 8.550 -0.510 25800 2989 1 7 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.862 -0.272 25800 2990 1 7 . 1 1 0 0 HIS C C 0 174.000 174.000 173.221 0.779 25800 2991 1 7 . 1 1 0 0 HIS CA C 0 55.300 55.300 55.369 -0.069 25800 2992 1 7 . 1 1 0 0 HIS CB C 0 29.300 29.300 30.513 -1.213 25800 2993 1 7 . 1 1 1 1 MET N N 1 122.400 122.400 120.744 1.656 25800 2994 1 7 . 1 1 1 1 MET HA H 1 4.340 4.340 4.762 -0.422 25800 2995 1 7 . 1 1 1 1 MET C C 1 175.600 175.600 174.183 1.417 25800 2996 1 7 . 1 1 1 1 MET CA C 1 55.600 55.600 54.858 0.742 25800 2997 1 7 . 1 1 1 1 MET CB C 1 32.800 32.800 34.294 -1.494 25800 2998 1 7 . 1 1 1 1 MET H H 1 8.310 8.310 8.215 0.095 25800 2999 1 7 . 1 1 2 2 VAL N N 2 123.200 123.200 120.576 2.624 25800 3000 1 7 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.599 -0.639 25800 3001 1 7 . 1 1 2 2 VAL C C 2 175.600 175.600 175.043 0.557 25800 3002 1 7 . 1 1 2 2 VAL CA C 2 62.300 62.300 60.948 1.352 25800 3003 1 7 . 1 1 2 2 VAL CB C 2 32.300 32.300 34.414 -2.114 25800 3004 1 7 . 1 1 2 2 VAL H H 2 8.180 8.180 8.274 -0.094 25800 3005 1 7 . 1 1 3 3 ILE N N 3 126.200 126.200 121.738 4.462 25800 3006 1 7 . 1 1 3 3 ILE HA H 3 4.050 4.050 4.230 -0.180 25800 3007 1 7 . 1 1 3 3 ILE C C 3 175.800 175.800 175.207 0.593 25800 3008 1 7 . 1 1 3 3 ILE CA C 3 60.700 60.700 61.733 -1.033 25800 3009 1 7 . 1 1 3 3 ILE CB C 3 38.300 38.300 38.482 -0.182 25800 3010 1 7 . 1 1 3 3 ILE H H 3 8.230 8.230 8.162 0.068 25800 3011 1 7 . 1 1 4 4 ARG N N 4 126.100 126.100 124.964 1.136 25800 3012 1 7 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.576 -0.396 25800 3013 1 7 . 1 1 4 4 ARG C C 4 175.900 175.900 176.038 -0.138 25800 3014 1 7 . 1 1 4 4 ARG CA C 4 56.000 56.000 55.585 0.415 25800 3015 1 7 . 1 1 4 4 ARG CB C 4 30.700 30.700 32.065 -1.365 25800 3016 1 7 . 1 1 4 4 ARG H H 4 8.360 8.360 8.256 0.104 25800 3017 1 7 . 1 1 5 5 GLU N N 5 122.200 122.200 120.321 1.879 25800 3018 1 7 . 1 1 5 5 GLU HA H 5 4.140 4.140 4.091 0.049 25800 3019 1 7 . 1 1 5 5 GLU C C 5 176.100 176.100 175.407 0.693 25800 3020 1 7 . 1 1 5 5 GLU CA C 5 56.600 56.600 57.220 -0.620 25800 3021 1 7 . 1 1 5 5 GLU CB C 5 30.300 30.300 29.271 1.029 25800 3022 1 7 . 1 1 5 5 GLU H H 5 8.400 8.400 8.733 -0.333 25800 3023 1 7 . 1 1 6 6 SER N N 6 116.200 116.200 111.334 4.866 25800 3024 1 7 . 1 1 6 6 SER HA H 6 4.350 4.350 4.717 -0.367 25800 3025 1 7 . 1 1 6 6 SER C C 6 174.300 174.300 172.867 1.433 25800 3026 1 7 . 1 1 6 6 SER CA C 6 58.200 58.200 57.312 0.888 25800 3027 1 7 . 1 1 6 6 SER CB C 6 63.800 63.800 64.892 -1.092 25800 3028 1 7 . 1 1 6 6 SER H H 6 8.270 8.270 7.618 0.652 25800 3029 1 7 . 1 1 7 7 VAL N N 7 119.800 119.800 119.812 -0.012 25800 3030 1 7 . 1 1 7 7 VAL HA H 7 4.300 4.300 4.407 -0.107 25800 3031 1 7 . 1 1 7 7 VAL C C 7 175.500 175.500 174.410 1.090 25800 3032 1 7 . 1 1 7 7 VAL CA C 7 61.700 61.700 62.025 -0.325 25800 3033 1 7 . 1 1 7 7 VAL CB C 7 32.800 32.800 34.300 -1.500 25800 3034 1 7 . 1 1 7 7 VAL H H 7 7.840 7.840 8.556 -0.716 25800 3035 1 7 . 1 1 8 8 SER N N 8 117.800 117.800 114.480 3.320 25800 3036 1 7 . 1 1 8 8 SER HA H 8 4.240 4.240 4.756 -0.516 25800 3037 1 7 . 1 1 8 8 SER C C 8 172.500 172.500 172.062 0.438 25800 3038 1 7 . 1 1 8 8 SER CA C 8 58.500 58.500 58.433 0.067 25800 3039 1 7 . 1 1 8 8 SER CB C 8 63.600 63.600 63.926 -0.326 25800 3040 1 7 . 1 1 8 8 SER H H 8 8.530 8.530 7.850 0.680 25800 3041 1 7 . 1 1 9 9 ARG N N 9 123.000 123.000 127.187 -4.187 25800 3042 1 7 . 1 1 9 9 ARG HA H 9 5.500 5.500 5.206 0.294 25800 3043 1 7 . 1 1 9 9 ARG C C 9 175.000 175.000 174.995 0.005 25800 3044 1 7 . 1 1 9 9 ARG CA C 9 54.300 54.300 55.749 -1.449 25800 3045 1 7 . 1 1 9 9 ARG CB C 9 33.400 33.400 34.071 -0.670 25800 3046 1 7 . 1 1 9 9 ARG H H 9 7.350 7.350 8.778 -1.428 25800 3047 1 7 . 1 1 10 10 ILE N N 10 114.000 114.000 124.191 -10.191 25800 3048 1 7 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.358 0.462 25800 3049 1 7 . 1 1 10 10 ILE C C 10 173.000 173.000 174.750 -1.750 25800 3050 1 7 . 1 1 10 10 ILE CA C 10 59.400 59.400 61.077 -1.677 25800 3051 1 7 . 1 1 10 10 ILE CB C 10 40.900 40.900 38.674 2.226 25800 3052 1 7 . 1 1 10 10 ILE H H 10 8.830 8.830 9.068 -0.238 25800 3053 1 7 . 1 1 11 11 TYR N N 11 123.400 123.400 127.013 -3.613 25800 3054 1 7 . 1 1 11 11 TYR HA H 11 4.930 4.930 5.102 -0.172 25800 3055 1 7 . 1 1 11 11 TYR C C 11 173.000 173.000 173.241 -0.241 25800 3056 1 7 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.830 0.170 25800 3057 1 7 . 1 1 11 11 TYR CB C 11 40.900 40.900 41.845 -0.945 25800 3058 1 7 . 1 1 11 11 TYR H H 11 8.690 8.690 8.009 0.681 25800 3059 1 7 . 1 1 12 12 VAL N N 12 126.300 126.300 126.805 -0.505 25800 3060 1 7 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.453 0.107 25800 3061 1 7 . 1 1 12 12 VAL C C 12 174.100 174.100 174.026 0.074 25800 3062 1 7 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.540 -0.340 25800 3063 1 7 . 1 1 12 12 VAL CB C 12 33.400 33.400 34.879 -1.479 25800 3064 1 7 . 1 1 12 12 VAL H H 12 8.370 8.370 7.754 0.616 25800 3065 1 7 . 1 1 13 13 GLY N N 13 113.000 113.000 111.509 1.491 25800 3066 1 7 . 1 1 13 13 GLY C C 13 173.100 173.100 173.632 -0.532 25800 3067 1 7 . 1 1 13 13 GLY CA C 13 43.300 43.300 43.225 0.075 25800 3068 1 7 . 1 1 13 13 GLY H H 13 9.350 9.350 8.592 0.758 25800 3069 1 7 . 1 1 14 14 ASN N N 14 113.900 113.900 116.708 -2.808 25800 3070 1 7 . 1 1 14 14 ASN HA H 14 4.280 4.280 3.884 0.396 25800 3071 1 7 . 1 1 14 14 ASN C C 14 175.800 175.800 174.990 0.810 25800 3072 1 7 . 1 1 14 14 ASN CA C 14 53.600 53.600 54.151 -0.551 25800 3073 1 7 . 1 1 14 14 ASN CB C 14 37.700 37.700 36.681 1.019 25800 3074 1 7 . 1 1 14 14 ASN H H 14 8.800 8.800 7.480 1.320 25800 3075 1 7 . 1 1 15 15 LEU N N 15 115.800 115.800 117.753 -1.953 25800 3076 1 7 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.565 0.425 25800 3077 1 7 . 1 1 15 15 LEU CA C 15 55.600 55.600 53.888 1.712 25800 3078 1 7 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.542 0.058 25800 3079 1 7 . 1 1 15 15 LEU H H 15 7.150 7.150 7.239 -0.089 25800 3080 1 7 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.611 -0.541 25800 3081 1 7 . 1 1 16 16 PRO C C 16 171.500 171.500 177.479 -5.979 25800 3082 1 7 . 1 1 16 16 PRO CA C 16 62.500 62.500 62.218 0.283 25800 3083 1 7 . 1 1 16 16 PRO CB C 16 32.000 32.000 32.584 -0.584 25800 3084 1 7 . 1 1 17 17 SER N N 17 115.200 115.200 115.862 -0.662 25800 3085 1 7 . 1 1 17 17 SER HA H 17 4.300 4.300 4.274 0.026 25800 3086 1 7 . 1 1 17 17 SER C C 17 174.200 174.200 174.322 -0.122 25800 3087 1 7 . 1 1 17 17 SER CA C 17 58.200 58.200 58.495 -0.295 25800 3088 1 7 . 1 1 17 17 SER CB C 17 63.900 63.900 61.762 2.138 25800 3089 1 7 . 1 1 17 17 SER H H 17 8.470 8.470 8.547 -0.077 25800 3090 1 7 . 1 1 18 18 HIS N N 18 120.800 120.800 121.215 -0.415 25800 3091 1 7 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.466 0.084 25800 3092 1 7 . 1 1 18 18 HIS C C 18 175.100 175.100 175.252 -0.152 25800 3093 1 7 . 1 1 18 18 HIS CA C 18 55.500 55.500 58.045 -2.545 25800 3094 1 7 . 1 1 18 18 HIS CB C 18 29.300 29.300 30.343 -1.043 25800 3095 1 7 . 1 1 18 18 HIS H H 18 8.540 8.540 8.099 0.441 25800 3096 1 7 . 1 1 19 19 VAL N N 19 115.700 115.700 117.820 -2.120 25800 3097 1 7 . 1 1 19 19 VAL HA H 19 4.260 4.260 4.135 0.125 25800 3098 1 7 . 1 1 19 19 VAL C C 19 174.000 174.000 174.208 -0.208 25800 3099 1 7 . 1 1 19 19 VAL CA C 19 61.900 61.900 61.701 0.199 25800 3100 1 7 . 1 1 19 19 VAL CB C 19 32.600 32.600 34.204 -1.604 25800 3101 1 7 . 1 1 19 19 VAL H H 19 6.650 6.650 7.864 -1.214 25800 3102 1 7 . 1 1 20 20 SER N N 20 118.800 118.800 121.942 -3.142 25800 3103 1 7 . 1 1 20 20 SER HA H 20 4.710 4.710 4.877 -0.167 25800 3104 1 7 . 1 1 20 20 SER C C 20 175.900 175.900 175.510 0.390 25800 3105 1 7 . 1 1 20 20 SER CA C 20 55.800 55.800 57.301 -1.501 25800 3106 1 7 . 1 1 20 20 SER CB C 20 66.600 66.600 64.531 2.069 25800 3107 1 7 . 1 1 20 20 SER H H 20 8.930 8.930 8.447 0.483 25800 3108 1 7 . 1 1 21 21 SER N N 21 117.100 117.100 119.000 -1.900 25800 3109 1 7 . 1 1 21 21 SER HA H 21 3.880 3.880 4.057 -0.177 25800 3110 1 7 . 1 1 21 21 SER C C 21 176.200 176.200 176.645 -0.445 25800 3111 1 7 . 1 1 21 21 SER CA C 21 62.300 62.300 61.318 0.982 25800 3112 1 7 . 1 1 21 21 SER CB C 21 66.800 66.800 62.975 3.825 25800 3113 1 7 . 1 1 21 21 SER H H 21 9.080 9.080 8.698 0.382 25800 3114 1 7 . 1 1 22 22 ARG N N 22 121.200 121.200 121.483 -0.283 25800 3115 1 7 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.068 -0.078 25800 3116 1 7 . 1 1 22 22 ARG C C 22 177.900 177.900 177.151 0.749 25800 3117 1 7 . 1 1 22 22 ARG CA C 22 58.700 58.700 59.016 -0.315 25800 3118 1 7 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.356 0.244 25800 3119 1 7 . 1 1 22 22 ARG H H 22 7.940 7.940 8.650 -0.710 25800 3120 1 7 . 1 1 23 23 ASP N N 23 118.800 118.800 117.752 1.048 25800 3121 1 7 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.453 -0.063 25800 3122 1 7 . 1 1 23 23 ASP C C 23 179.200 179.200 178.067 1.133 25800 3123 1 7 . 1 1 23 23 ASP CA C 23 57.300 57.300 56.795 0.505 25800 3124 1 7 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.562 0.438 25800 3125 1 7 . 1 1 23 23 ASP H H 23 7.480 7.480 7.893 -0.413 25800 3126 1 7 . 1 1 24 24 VAL N N 24 119.500 119.500 120.519 -1.019 25800 3127 1 7 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.479 -0.109 25800 3128 1 7 . 1 1 24 24 VAL C C 24 177.500 177.500 177.016 0.484 25800 3129 1 7 . 1 1 24 24 VAL CA C 24 66.900 66.900 65.348 1.552 25800 3130 1 7 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.703 -0.303 25800 3131 1 7 . 1 1 24 24 VAL H H 24 7.450 7.450 8.176 -0.726 25800 3132 1 7 . 1 1 25 25 GLU N N 25 121.400 121.400 118.774 2.626 25800 3133 1 7 . 1 1 25 25 GLU HA H 25 3.570 3.570 3.922 -0.352 25800 3134 1 7 . 1 1 25 25 GLU C C 25 178.400 178.400 177.314 1.086 25800 3135 1 7 . 1 1 25 25 GLU CA C 25 60.600 60.600 59.321 1.279 25800 3136 1 7 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.562 0.038 25800 3137 1 7 . 1 1 25 25 GLU H H 25 8.580 8.580 8.072 0.508 25800 3138 1 7 . 1 1 26 26 ASN N N 26 114.800 114.800 115.228 -0.428 25800 3139 1 7 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.844 -0.524 25800 3140 1 7 . 1 1 26 26 ASN C C 26 177.400 177.400 177.904 -0.504 25800 3141 1 7 . 1 1 26 26 ASN CA C 26 55.900 55.900 54.919 0.981 25800 3142 1 7 . 1 1 26 26 ASN CB C 26 37.900 37.900 39.658 -1.758 25800 3143 1 7 . 1 1 26 26 ASN H H 26 8.180 8.180 7.671 0.509 25800 3144 1 7 . 1 1 27 27 GLU N N 27 118.900 118.900 122.864 -3.964 25800 3145 1 7 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.277 -0.137 25800 3146 1 7 . 1 1 27 27 GLU C C 27 176.400 176.400 179.214 -2.814 25800 3147 1 7 . 1 1 27 27 GLU CA C 27 57.400 57.400 58.975 -1.575 25800 3148 1 7 . 1 1 27 27 GLU CB C 27 29.400 29.400 29.620 -0.220 25800 3149 1 7 . 1 1 27 27 GLU H H 27 7.340 7.340 8.668 -1.328 25800 3150 1 7 . 1 1 28 28 PHE N N 28 114.100 114.100 117.896 -3.796 25800 3151 1 7 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.828 -0.278 25800 3152 1 7 . 1 1 28 28 PHE C C 28 176.300 176.300 177.707 -1.407 25800 3153 1 7 . 1 1 28 28 PHE CA C 28 60.000 60.000 58.370 1.630 25800 3154 1 7 . 1 1 28 28 PHE CB C 28 40.800 40.800 38.455 2.345 25800 3155 1 7 . 1 1 28 28 PHE H H 28 7.660 7.660 7.886 -0.226 25800 3156 1 7 . 1 1 29 29 ARG N N 29 121.700 121.700 118.331 3.369 25800 3157 1 7 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.432 -0.022 25800 3158 1 7 . 1 1 29 29 ARG C C 29 177.100 177.100 177.466 -0.366 25800 3159 1 7 . 1 1 29 29 ARG CA C 29 58.200 58.200 58.615 -0.415 25800 3160 1 7 . 1 1 29 29 ARG CB C 29 29.300 29.300 30.199 -0.899 25800 3161 1 7 . 1 1 29 29 ARG H H 29 8.120 8.120 7.687 0.433 25800 3162 1 7 . 1 1 30 30 LYS N N 30 117.200 117.200 117.729 -0.529 25800 3163 1 7 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.109 -0.279 25800 3164 1 7 . 1 1 30 30 LYS C C 30 177.100 177.100 178.326 -1.226 25800 3165 1 7 . 1 1 30 30 LYS CA C 30 57.800 57.800 57.967 -0.167 25800 3166 1 7 . 1 1 30 30 LYS CB C 30 31.100 31.100 32.011 -0.912 25800 3167 1 7 . 1 1 30 30 LYS H H 30 7.630 7.630 7.710 -0.080 25800 3168 1 7 . 1 1 31 31 TYR N N 31 117.100 117.100 118.195 -1.095 25800 3169 1 7 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.382 -0.232 25800 3170 1 7 . 1 1 31 31 TYR C C 31 174.400 174.400 176.505 -2.105 25800 3171 1 7 . 1 1 31 31 TYR CA C 31 59.900 59.900 59.828 0.072 25800 3172 1 7 . 1 1 31 31 TYR CB C 31 37.900 37.900 39.776 -1.876 25800 3173 1 7 . 1 1 31 31 TYR H H 31 7.410 7.410 7.779 -0.369 25800 3174 1 7 . 1 1 32 32 GLY N N 32 104.100 104.100 104.933 -0.833 25800 3175 1 7 . 1 1 32 32 GLY C C 32 177.000 177.000 172.575 4.425 25800 3176 1 7 . 1 1 32 32 GLY CA C 32 44.500 44.500 45.372 -0.872 25800 3177 1 7 . 1 1 32 32 GLY H H 32 7.240 7.240 8.038 -0.798 25800 3178 1 7 . 1 1 33 33 ASN N N 33 115.300 115.300 120.664 -5.364 25800 3179 1 7 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.898 -0.458 25800 3180 1 7 . 1 1 33 33 ASN C C 33 175.500 175.500 174.801 0.699 25800 3181 1 7 . 1 1 33 33 ASN CA C 33 54.300 54.300 53.900 0.400 25800 3182 1 7 . 1 1 33 33 ASN CB C 33 38.400 38.400 39.021 -0.621 25800 3183 1 7 . 1 1 33 33 ASN H H 33 8.460 8.460 8.947 -0.487 25800 3184 1 7 . 1 1 34 34 ILE N N 34 126.700 126.700 126.092 0.608 25800 3185 1 7 . 1 1 34 34 ILE HA H 34 3.790 3.790 4.092 -0.302 25800 3186 1 7 . 1 1 34 34 ILE C C 34 175.600 175.600 175.597 0.003 25800 3187 1 7 . 1 1 34 34 ILE CA C 34 61.300 61.300 61.963 -0.663 25800 3188 1 7 . 1 1 34 34 ILE CB C 34 40.000 40.000 37.934 2.066 25800 3189 1 7 . 1 1 34 34 ILE H H 34 8.050 8.050 8.224 -0.174 25800 3190 1 7 . 1 1 35 35 LEU N N 35 127.400 127.400 128.831 -1.431 25800 3191 1 7 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.459 -0.299 25800 3192 1 7 . 1 1 35 35 LEU C C 35 177.200 177.200 176.573 0.627 25800 3193 1 7 . 1 1 35 35 LEU CA C 35 55.500 55.500 55.759 -0.259 25800 3194 1 7 . 1 1 35 35 LEU CB C 35 42.700 42.700 43.227 -0.527 25800 3195 1 7 . 1 1 35 35 LEU H H 35 8.780 8.780 8.986 -0.206 25800 3196 1 7 . 1 1 36 36 LYS N N 36 117.000 117.000 118.379 -1.379 25800 3197 1 7 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.557 -0.317 25800 3198 1 7 . 1 1 36 36 LYS C C 36 173.600 173.600 173.756 -0.156 25800 3199 1 7 . 1 1 36 36 LYS CA C 36 55.900 55.900 55.461 0.439 25800 3200 1 7 . 1 1 36 36 LYS CB C 36 36.600 36.600 35.578 1.022 25800 3201 1 7 . 1 1 36 36 LYS H H 36 7.110 7.110 7.505 -0.395 25800 3202 1 7 . 1 1 37 37 CYS N N 37 125.400 125.400 120.546 4.854 25800 3203 1 7 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.751 -1.051 25800 3204 1 7 . 1 1 37 37 CYS C C 37 171.600 171.600 172.955 -1.355 25800 3205 1 7 . 1 1 37 37 CYS CA C 37 57.900 57.900 56.823 1.077 25800 3206 1 7 . 1 1 37 37 CYS CB C 37 27.100 27.100 31.416 -4.316 25800 3207 1 7 . 1 1 37 37 CYS H H 37 8.610 8.610 8.648 -0.038 25800 3208 1 7 . 1 1 38 38 ASP N N 38 128.200 128.200 121.878 6.322 25800 3209 1 7 . 1 1 38 38 ASP HA H 38 4.950 4.950 4.891 0.059 25800 3210 1 7 . 1 1 38 38 ASP C C 38 174.300 174.300 173.593 0.707 25800 3211 1 7 . 1 1 38 38 ASP CA C 38 53.200 53.200 53.881 -0.681 25800 3212 1 7 . 1 1 38 38 ASP CB C 38 44.300 44.300 45.463 -1.163 25800 3213 1 7 . 1 1 38 38 ASP H H 38 8.290 8.290 8.877 -0.587 25800 3214 1 7 . 1 1 39 39 VAL N N 39 123.500 123.500 120.447 3.053 25800 3215 1 7 . 1 1 39 39 VAL HA H 39 4.300 4.300 4.942 -0.642 25800 3216 1 7 . 1 1 39 39 VAL C C 39 175.000 175.000 173.971 1.029 25800 3217 1 7 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.837 0.863 25800 3218 1 7 . 1 1 39 39 VAL CB C 39 33.100 33.100 34.982 -1.882 25800 3219 1 7 . 1 1 39 39 VAL H H 39 8.380 8.380 8.477 -0.097 25800 3220 1 7 . 1 1 40 40 LYS N N 40 129.100 129.100 128.748 0.352 25800 3221 1 7 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.869 -0.549 25800 3222 1 7 . 1 1 40 40 LYS C C 40 173.700 173.700 174.855 -1.155 25800 3223 1 7 . 1 1 40 40 LYS CA C 40 53.900 53.900 54.458 -0.558 25800 3224 1 7 . 1 1 40 40 LYS CB C 40 35.500 35.500 34.328 1.171 25800 3225 1 7 . 1 1 40 40 LYS H H 40 8.680 8.680 9.076 -0.396 25800 3226 1 7 . 1 1 41 41 LYS N N 41 117.300 117.300 120.697 -3.397 25800 3227 1 7 . 1 1 41 41 LYS HA H 41 4.980 4.980 5.479 -0.499 25800 3228 1 7 . 1 1 41 41 LYS C C 41 177.800 177.800 175.602 2.198 25800 3229 1 7 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.687 -0.087 25800 3230 1 7 . 1 1 41 41 LYS CB C 41 35.000 35.000 35.698 -0.698 25800 3231 1 7 . 1 1 41 41 LYS H H 41 7.900 7.900 8.311 -0.411 25800 3232 1 7 . 1 1 42 42 THR N N 42 113.200 113.200 113.429 -0.229 25800 3233 1 7 . 1 1 42 42 THR HA H 42 4.680 4.680 4.764 -0.084 25800 3234 1 7 . 1 1 42 42 THR C C 42 176.900 176.900 176.415 0.485 25800 3235 1 7 . 1 1 42 42 THR CA C 42 60.200 60.200 60.562 -0.362 25800 3236 1 7 . 1 1 42 42 THR CB C 42 71.600 71.600 69.892 1.708 25800 3237 1 7 . 1 1 42 42 THR H H 42 8.730 8.730 8.701 0.029 25800 3238 1 7 . 1 1 43 43 VAL N N 43 120.000 120.000 117.045 2.955 25800 3239 1 7 . 1 1 43 43 VAL HA H 43 3.920 3.920 3.954 -0.034 25800 3240 1 7 . 1 1 43 43 VAL C C 43 177.000 177.000 176.341 0.659 25800 3241 1 7 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.697 0.003 25800 3242 1 7 . 1 1 43 43 VAL CB C 43 31.800 31.800 31.468 0.332 25800 3243 1 7 . 1 1 43 43 VAL H H 43 8.730 8.730 8.464 0.266 25800 3244 1 7 . 1 1 44 44 SER N N 44 113.400 113.400 114.636 -1.236 25800 3245 1 7 . 1 1 44 44 SER HA H 44 4.360 4.360 4.392 -0.032 25800 3246 1 7 . 1 1 44 44 SER C C 44 174.800 174.800 175.322 -0.522 25800 3247 1 7 . 1 1 44 44 SER CA C 44 58.400 58.400 58.412 -0.012 25800 3248 1 7 . 1 1 44 44 SER CB C 44 63.500 63.500 62.969 0.531 25800 3249 1 7 . 1 1 44 44 SER H H 44 7.760 7.760 8.016 -0.256 25800 3250 1 7 . 1 1 45 45 GLY N N 45 110.200 110.200 108.664 1.536 25800 3251 1 7 . 1 1 45 45 GLY C C 45 173.500 173.500 174.179 -0.679 25800 3252 1 7 . 1 1 45 45 GLY CA C 45 45.300 45.300 45.286 0.014 25800 3253 1 7 . 1 1 45 45 GLY H H 45 7.820 7.820 7.879 -0.059 25800 3254 1 7 . 1 1 46 46 ALA N N 46 123.900 123.900 123.277 0.623 25800 3255 1 7 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.338 0.052 25800 3256 1 7 . 1 1 46 46 ALA C C 46 176.100 176.100 175.669 0.431 25800 3257 1 7 . 1 1 46 46 ALA CA C 46 51.900 51.900 51.647 0.253 25800 3258 1 7 . 1 1 46 46 ALA CB C 46 19.800 19.800 19.919 -0.119 25800 3259 1 7 . 1 1 46 46 ALA H H 46 7.440 7.440 7.661 -0.221 25800 3260 1 7 . 1 1 47 47 ALA N N 47 123.100 123.100 125.186 -2.086 25800 3261 1 7 . 1 1 47 47 ALA HA H 47 5.200 5.200 5.256 -0.056 25800 3262 1 7 . 1 1 47 47 ALA C C 47 176.100 176.100 175.596 0.504 25800 3263 1 7 . 1 1 47 47 ALA CA C 47 50.900 50.900 50.154 0.746 25800 3264 1 7 . 1 1 47 47 ALA CB C 47 21.900 21.900 21.729 0.171 25800 3265 1 7 . 1 1 47 47 ALA H H 47 8.350 8.350 8.127 0.223 25800 3266 1 7 . 1 1 48 48 PHE N N 48 118.700 118.700 118.227 0.473 25800 3267 1 7 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.273 -0.243 25800 3268 1 7 . 1 1 48 48 PHE C C 48 171.600 171.600 174.288 -2.688 25800 3269 1 7 . 1 1 48 48 PHE CA C 48 55.700 55.700 57.091 -1.391 25800 3270 1 7 . 1 1 48 48 PHE CB C 48 41.200 41.200 43.286 -2.086 25800 3271 1 7 . 1 1 48 48 PHE H H 48 8.550 8.550 8.903 -0.353 25800 3272 1 7 . 1 1 49 49 ALA N N 49 120.400 120.400 125.586 -5.186 25800 3273 1 7 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.302 0.028 25800 3274 1 7 . 1 1 49 49 ALA C C 49 175.500 175.500 175.591 -0.091 25800 3275 1 7 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.351 -1.051 25800 3276 1 7 . 1 1 49 49 ALA CB C 49 23.700 23.700 21.753 1.947 25800 3277 1 7 . 1 1 49 49 ALA H H 49 9.240 9.240 9.106 0.134 25800 3278 1 7 . 1 1 50 50 PHE N N 50 115.000 115.000 121.603 -6.603 25800 3279 1 7 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.372 0.228 25800 3280 1 7 . 1 1 50 50 PHE C C 50 176.000 176.000 174.219 1.781 25800 3281 1 7 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.618 -0.118 25800 3282 1 7 . 1 1 50 50 PHE CB C 50 42.200 42.200 42.373 -0.173 25800 3283 1 7 . 1 1 50 50 PHE H H 50 7.920 7.920 9.097 -1.177 25800 3284 1 7 . 1 1 51 51 ILE N N 51 123.000 123.000 123.290 -0.290 25800 3285 1 7 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.764 -0.314 25800 3286 1 7 . 1 1 51 51 ILE C C 51 173.700 173.700 174.262 -0.562 25800 3287 1 7 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.564 -0.364 25800 3288 1 7 . 1 1 51 51 ILE CB C 51 40.700 40.700 41.920 -1.220 25800 3289 1 7 . 1 1 51 51 ILE H H 51 8.490 8.490 8.431 0.059 25800 3290 1 7 . 1 1 52 52 GLU N N 52 126.600 126.600 126.889 -0.289 25800 3291 1 7 . 1 1 52 52 GLU HA H 52 4.770 4.770 4.898 -0.128 25800 3292 1 7 . 1 1 52 52 GLU C C 52 175.300 175.300 175.243 0.057 25800 3293 1 7 . 1 1 52 52 GLU CA C 52 54.700 54.700 55.372 -0.672 25800 3294 1 7 . 1 1 52 52 GLU CB C 52 31.500 31.500 31.939 -0.439 25800 3295 1 7 . 1 1 52 52 GLU H H 52 8.610 8.610 9.011 -0.401 25800 3296 1 7 . 1 1 53 53 PHE N N 53 126.100 126.100 125.209 0.891 25800 3297 1 7 . 1 1 53 53 PHE HA H 53 4.800 4.800 5.021 -0.221 25800 3298 1 7 . 1 1 53 53 PHE C C 53 175.400 175.400 175.578 -0.178 25800 3299 1 7 . 1 1 53 53 PHE CA C 53 58.200 58.200 57.190 1.010 25800 3300 1 7 . 1 1 53 53 PHE CB C 53 40.900 40.900 41.389 -0.489 25800 3301 1 7 . 1 1 53 53 PHE H H 53 8.800 8.800 8.878 -0.078 25800 3302 1 7 . 1 1 54 54 GLU N N 54 120.700 120.700 121.037 -0.337 25800 3303 1 7 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.203 -0.273 25800 3304 1 7 . 1 1 54 54 GLU C C 54 175.300 175.300 176.471 -1.171 25800 3305 1 7 . 1 1 54 54 GLU CA C 54 59.100 59.100 57.934 1.166 25800 3306 1 7 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.440 0.360 25800 3307 1 7 . 1 1 54 54 GLU H H 54 8.160 8.160 8.816 -0.656 25800 3308 1 7 . 1 1 55 55 ASP N N 55 117.900 117.900 118.284 -0.384 25800 3309 1 7 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.661 0.259 25800 3310 1 7 . 1 1 55 55 ASP C C 55 176.400 176.400 175.306 1.094 25800 3311 1 7 . 1 1 55 55 ASP CA C 55 52.400 52.400 53.708 -1.308 25800 3312 1 7 . 1 1 55 55 ASP CB C 55 44.400 44.400 42.979 1.421 25800 3313 1 7 . 1 1 55 55 ASP H H 55 8.740 8.740 8.013 0.727 25800 3314 1 7 . 1 1 56 56 ALA N N 56 128.900 128.900 123.535 5.365 25800 3315 1 7 . 1 1 56 56 ALA HA H 56 3.830 3.830 4.273 -0.443 25800 3316 1 7 . 1 1 56 56 ALA C C 56 179.800 179.800 178.780 1.020 25800 3317 1 7 . 1 1 56 56 ALA CA C 56 55.200 55.200 53.690 1.510 25800 3318 1 7 . 1 1 56 56 ALA CB C 56 18.900 18.900 19.795 -0.895 25800 3319 1 7 . 1 1 56 56 ALA H H 56 8.800 8.800 8.351 0.449 25800 3320 1 7 . 1 1 57 57 ARG N N 57 119.200 119.200 119.259 -0.059 25800 3321 1 7 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.103 -0.212 25800 3322 1 7 . 1 1 57 57 ARG C C 57 178.000 178.000 177.918 0.082 25800 3323 1 7 . 1 1 57 57 ARG CA C 57 58.900 58.900 59.372 -0.472 25800 3324 1 7 . 1 1 57 57 ARG CB C 57 29.300 29.300 29.515 -0.214 25800 3325 1 7 . 1 1 57 57 ARG H H 57 8.950 8.950 8.586 0.364 25800 3326 1 7 . 1 1 58 58 ASP N N 58 120.900 120.900 118.837 2.063 25800 3327 1 7 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.531 -0.441 25800 3328 1 7 . 1 1 58 58 ASP C C 58 176.700 176.700 178.411 -1.711 25800 3329 1 7 . 1 1 58 58 ASP CA C 58 56.500 56.500 56.462 0.038 25800 3330 1 7 . 1 1 58 58 ASP CB C 58 39.900 39.900 40.575 -0.675 25800 3331 1 7 . 1 1 58 58 ASP H H 58 7.020 7.020 8.258 -1.238 25800 3332 1 7 . 1 1 59 59 ALA N N 59 119.700 119.700 122.254 -2.554 25800 3333 1 7 . 1 1 59 59 ALA HA H 59 3.080 3.080 3.687 -0.607 25800 3334 1 7 . 1 1 59 59 ALA C C 59 178.100 178.100 179.229 -1.129 25800 3335 1 7 . 1 1 59 59 ALA CA C 59 54.300 54.300 54.124 0.176 25800 3336 1 7 . 1 1 59 59 ALA CB C 59 18.400 18.400 17.424 0.977 25800 3337 1 7 . 1 1 59 59 ALA H H 59 6.440 6.440 7.928 -1.488 25800 3338 1 7 . 1 1 60 60 ALA N N 60 117.600 117.600 120.153 -2.553 25800 3339 1 7 . 1 1 60 60 ALA HA H 60 3.830 3.830 4.077 -0.247 25800 3340 1 7 . 1 1 60 60 ALA C C 60 180.900 180.900 178.458 2.442 25800 3341 1 7 . 1 1 60 60 ALA CA C 60 54.900 54.900 54.416 0.484 25800 3342 1 7 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.328 -0.628 25800 3343 1 7 . 1 1 60 60 ALA H H 60 7.330 7.330 8.149 -0.819 25800 3344 1 7 . 1 1 61 61 ASP N N 61 120.100 120.100 119.794 0.306 25800 3345 1 7 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.424 -0.214 25800 3346 1 7 . 1 1 61 61 ASP C C 61 176.700 176.700 177.456 -0.756 25800 3347 1 7 . 1 1 61 61 ASP CA C 61 57.100 57.100 56.444 0.656 25800 3348 1 7 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.791 -0.691 25800 3349 1 7 . 1 1 61 61 ASP H H 61 7.590 7.590 7.860 -0.270 25800 3350 1 7 . 1 1 62 62 ALA N N 62 122.200 122.200 121.190 1.010 25800 3351 1 7 . 1 1 62 62 ALA HA H 62 2.420 2.420 3.761 -1.341 25800 3352 1 7 . 1 1 62 62 ALA C C 62 179.300 179.300 179.091 0.209 25800 3353 1 7 . 1 1 62 62 ALA CA C 62 54.600 54.600 54.484 0.116 25800 3354 1 7 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.671 0.429 25800 3355 1 7 . 1 1 62 62 ALA H H 62 7.440 7.440 7.433 0.007 25800 3356 1 7 . 1 1 63 63 ILE N N 63 116.700 116.700 118.892 -2.192 25800 3357 1 7 . 1 1 63 63 ILE HA H 63 3.240 3.240 3.678 -0.438 25800 3358 1 7 . 1 1 63 63 ILE C C 63 177.800 177.800 177.580 0.220 25800 3359 1 7 . 1 1 63 63 ILE CA C 63 65.600 65.600 63.372 2.228 25800 3360 1 7 . 1 1 63 63 ILE CB C 63 38.900 38.900 37.645 1.255 25800 3361 1 7 . 1 1 63 63 ILE H H 63 7.540 7.540 7.347 0.193 25800 3362 1 7 . 1 1 64 64 LYS N N 64 117.400 117.400 118.911 -1.511 25800 3363 1 7 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.348 -0.448 25800 3364 1 7 . 1 1 64 64 LYS C C 64 178.900 178.900 177.556 1.344 25800 3365 1 7 . 1 1 64 64 LYS CA C 64 58.800 58.800 57.963 0.837 25800 3366 1 7 . 1 1 64 64 LYS CB C 64 32.600 32.600 31.828 0.772 25800 3367 1 7 . 1 1 64 64 LYS H H 64 7.490 7.490 8.272 -0.782 25800 3368 1 7 . 1 1 65 65 GLU N N 65 113.800 113.800 119.066 -5.266 25800 3369 1 7 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.301 -0.141 25800 3370 1 7 . 1 1 65 65 GLU C C 65 178.300 178.300 177.858 0.442 25800 3371 1 7 . 1 1 65 65 GLU CA C 65 58.300 58.300 57.660 0.640 25800 3372 1 7 . 1 1 65 65 GLU CB C 65 30.700 30.700 30.315 0.385 25800 3373 1 7 . 1 1 65 65 GLU H H 65 7.960 7.960 7.995 -0.035 25800 3374 1 7 . 1 1 66 66 LYS N N 66 114.700 114.700 118.475 -3.775 25800 3375 1 7 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.326 0.144 25800 3376 1 7 . 1 1 66 66 LYS C C 66 177.500 177.500 177.310 0.190 25800 3377 1 7 . 1 1 66 66 LYS CA C 66 54.400 54.400 56.037 -1.637 25800 3378 1 7 . 1 1 66 66 LYS CB C 66 33.000 33.000 32.485 0.515 25800 3379 1 7 . 1 1 66 66 LYS H H 66 8.050 8.050 7.702 0.348 25800 3380 1 7 . 1 1 67 67 ASP N N 67 118.800 118.800 120.433 -1.633 25800 3381 1 7 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.399 -0.179 25800 3382 1 7 . 1 1 67 67 ASP C C 67 177.700 177.700 177.503 0.197 25800 3383 1 7 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.353 4.047 25800 3384 1 7 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.003 0.397 25800 3385 1 7 . 1 1 67 67 ASP H H 67 7.620 7.620 7.846 -0.226 25800 3386 1 7 . 1 1 68 68 GLY N N 68 115.600 115.600 107.561 8.039 25800 3387 1 7 . 1 1 68 68 GLY C C 68 173.800 173.800 174.800 -1.000 25800 3388 1 7 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.642 1.258 25800 3389 1 7 . 1 1 68 68 GLY H H 68 8.470 8.470 8.584 -0.114 25800 3390 1 7 . 1 1 69 69 CYS N N 69 119.200 119.200 119.577 -0.377 25800 3391 1 7 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.702 -0.542 25800 3392 1 7 . 1 1 69 69 CYS C C 69 172.600 172.600 174.195 -1.595 25800 3393 1 7 . 1 1 69 69 CYS CA C 69 58.000 58.000 57.922 0.078 25800 3394 1 7 . 1 1 69 69 CYS CB C 69 28.700 28.700 28.871 -0.171 25800 3395 1 7 . 1 1 69 69 CYS H H 69 7.890 7.890 8.199 -0.309 25800 3396 1 7 . 1 1 70 70 ASP N N 70 122.200 122.200 125.041 -2.841 25800 3397 1 7 . 1 1 70 70 ASP HA H 70 4.830 4.830 5.084 -0.254 25800 3398 1 7 . 1 1 70 70 ASP C C 70 176.400 176.400 174.495 1.905 25800 3399 1 7 . 1 1 70 70 ASP CA C 70 54.700 54.700 53.486 1.214 25800 3400 1 7 . 1 1 70 70 ASP CB C 70 42.700 42.700 44.034 -1.334 25800 3401 1 7 . 1 1 70 70 ASP H H 70 8.360 8.360 8.528 -0.168 25800 3402 1 7 . 1 1 71 71 PHE N N 71 127.600 127.600 121.333 6.267 25800 3403 1 7 . 1 1 71 71 PHE HA H 71 4.600 4.600 5.259 -0.659 25800 3404 1 7 . 1 1 71 71 PHE C C 71 173.600 173.600 174.739 -1.139 25800 3405 1 7 . 1 1 71 71 PHE CA C 71 56.800 56.800 56.499 0.301 25800 3406 1 7 . 1 1 71 71 PHE CB C 71 40.700 40.700 41.433 -0.733 25800 3407 1 7 . 1 1 71 71 PHE H H 71 9.390 9.390 7.978 1.412 25800 3408 1 7 . 1 1 72 72 GLU N N 72 123.900 123.900 120.430 3.470 25800 3409 1 7 . 1 1 72 72 GLU HA H 72 3.540 3.540 4.062 -0.522 25800 3410 1 7 . 1 1 72 72 GLU C C 72 175.500 175.500 176.194 -0.694 25800 3411 1 7 . 1 1 72 72 GLU CA C 72 56.700 56.700 56.788 -0.088 25800 3412 1 7 . 1 1 72 72 GLU CB C 72 27.300 27.300 28.965 -1.665 25800 3413 1 7 . 1 1 72 72 GLU H H 72 8.940 8.940 9.272 -0.332 25800 3414 1 7 . 1 1 73 73 GLY N N 73 105.200 105.200 109.399 -4.199 25800 3415 1 7 . 1 1 73 73 GLY C C 73 174.100 174.100 174.261 -0.161 25800 3416 1 7 . 1 1 73 73 GLY CA C 73 45.600 45.600 44.787 0.813 25800 3417 1 7 . 1 1 73 73 GLY H H 73 8.350 8.350 8.485 -0.135 25800 3418 1 7 . 1 1 74 74 ASN N N 74 121.000 121.000 120.965 0.035 25800 3419 1 7 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.860 -0.100 25800 3420 1 7 . 1 1 74 74 ASN C C 74 174.000 174.000 173.823 0.177 25800 3421 1 7 . 1 1 74 74 ASN CA C 74 50.900 50.900 52.622 -1.722 25800 3422 1 7 . 1 1 74 74 ASN CB C 74 39.700 39.700 39.952 -0.252 25800 3423 1 7 . 1 1 74 74 ASN H H 74 7.740 7.740 7.762 -0.022 25800 3424 1 7 . 1 1 75 75 LYS N N 75 121.400 121.400 121.018 0.382 25800 3425 1 7 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.533 -0.063 25800 3426 1 7 . 1 1 75 75 LYS C C 75 176.900 176.900 174.830 2.070 25800 3427 1 7 . 1 1 75 75 LYS CA C 75 55.300 55.300 56.199 -0.899 25800 3428 1 7 . 1 1 75 75 LYS CB C 75 31.900 31.900 32.974 -1.074 25800 3429 1 7 . 1 1 75 75 LYS H H 75 8.380 8.380 8.577 -0.197 25800 3430 1 7 . 1 1 76 76 LEU N N 76 127.400 127.400 123.709 3.691 25800 3431 1 7 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.527 -0.097 25800 3432 1 7 . 1 1 76 76 LEU C C 76 177.600 177.600 174.566 3.034 25800 3433 1 7 . 1 1 76 76 LEU CA C 76 55.300 55.300 54.886 0.414 25800 3434 1 7 . 1 1 76 76 LEU CB C 76 43.100 43.100 44.260 -1.160 25800 3435 1 7 . 1 1 76 76 LEU H H 76 8.950 8.950 8.903 0.047 25800 3436 1 7 . 1 1 77 77 ARG N N 77 121.800 121.800 124.291 -2.491 25800 3437 1 7 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.620 0.280 25800 3438 1 7 . 1 1 77 77 ARG C C 77 174.700 174.700 173.967 0.733 25800 3439 1 7 . 1 1 77 77 ARG CA C 77 54.000 54.000 56.233 -2.233 25800 3440 1 7 . 1 1 77 77 ARG CB C 77 32.300 32.300 31.844 0.456 25800 3441 1 7 . 1 1 77 77 ARG H H 77 7.530 7.530 8.461 -0.931 25800 3442 1 7 . 1 1 78 78 VAL N N 78 127.000 127.000 125.116 1.884 25800 3443 1 7 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.563 0.717 25800 3444 1 7 . 1 1 78 78 VAL C C 78 174.200 174.200 174.312 -0.112 25800 3445 1 7 . 1 1 78 78 VAL CA C 78 61.200 61.200 61.036 0.164 25800 3446 1 7 . 1 1 78 78 VAL CB C 78 33.400 33.400 35.423 -2.023 25800 3447 1 7 . 1 1 78 78 VAL H H 78 9.660 9.660 8.491 1.169 25800 3448 1 7 . 1 1 79 79 GLU N N 79 121.900 121.900 127.677 -5.777 25800 3449 1 7 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.615 0.095 25800 3450 1 7 . 1 1 79 79 GLU C C 79 174.600 174.600 173.730 0.870 25800 3451 1 7 . 1 1 79 79 GLU CA C 79 53.900 53.900 55.626 -1.726 25800 3452 1 7 . 1 1 79 79 GLU CB C 79 34.400 34.400 34.078 0.322 25800 3453 1 7 . 1 1 79 79 GLU H H 79 8.980 8.980 8.346 0.634 25800 3454 1 7 . 1 1 80 80 VAL N N 80 121.300 121.300 123.089 -1.789 25800 3455 1 7 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.537 -0.167 25800 3456 1 7 . 1 1 80 80 VAL CA C 80 61.000 61.000 58.473 2.527 25800 3457 1 7 . 1 1 80 80 VAL CB C 80 32.100 32.100 34.750 -2.650 25800 3458 1 7 . 1 1 80 80 VAL H H 80 8.410 8.410 8.368 0.042 25800 3459 1 7 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.458 -0.198 25800 3460 1 7 . 1 1 81 81 PRO C C 81 176.100 176.100 177.114 -1.014 25800 3461 1 7 . 1 1 81 81 PRO CA C 81 63.100 63.100 64.438 -1.338 25800 3462 1 7 . 1 1 81 81 PRO CB C 81 32.100 32.100 31.941 0.159 25800 3463 1 7 . 1 1 82 82 PHE N N 82 122.200 122.200 114.646 7.554 25800 3464 1 7 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.712 -0.422 25800 3465 1 7 . 1 1 82 82 PHE C C 82 175.300 175.300 175.029 0.271 25800 3466 1 7 . 1 1 82 82 PHE CA C 82 58.100 58.100 56.020 2.080 25800 3467 1 7 . 1 1 82 82 PHE CB C 82 39.400 39.400 37.306 2.094 25800 3468 1 7 . 1 1 82 82 PHE H H 82 8.150 8.150 7.867 0.283 25800 3469 1 7 . 1 1 83 83 ASN N N 83 120.800 120.800 119.259 1.541 25800 3470 1 7 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.225 0.215 25800 3471 1 7 . 1 1 83 83 ASN C C 83 174.100 174.100 175.043 -0.943 25800 3472 1 7 . 1 1 83 83 ASN CA C 83 52.700 52.700 54.716 -2.016 25800 3473 1 7 . 1 1 83 83 ASN CB C 83 38.700 38.700 38.847 -0.147 25800 3474 1 7 . 1 1 83 83 ASN H H 83 8.110 8.110 7.868 0.242 25800 3475 1 7 . 1 1 84 84 ALA N N 84 123.700 123.700 120.815 2.885 25800 3476 1 7 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.642 -0.562 25800 3477 1 7 . 1 1 84 84 ALA C C 84 177.100 177.100 176.580 0.520 25800 3478 1 7 . 1 1 84 84 ALA CA C 84 52.400 52.400 51.258 1.142 25800 3479 1 7 . 1 1 84 84 ALA CB C 84 19.100 19.100 21.157 -2.057 25800 3480 1 7 . 1 1 84 84 ALA H H 84 8.020 8.020 7.783 0.237 25800 3481 1 7 . 1 1 85 85 ARG N N 85 120.200 120.200 119.582 0.618 25800 3482 1 7 . 1 1 85 85 ARG HA H 85 4.150 4.150 4.174 -0.024 25800 3483 1 7 . 1 1 85 85 ARG C C 85 175.200 175.200 175.863 -0.663 25800 3484 1 7 . 1 1 85 85 ARG CA C 85 56.000 56.000 58.059 -2.059 25800 3485 1 7 . 1 1 85 85 ARG CB C 85 30.800 30.800 30.506 0.294 25800 3486 1 7 . 1 1 85 85 ARG H H 85 8.040 8.040 8.637 -0.597 25800 3487 1 8 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.528 0.062 25800 3488 1 8 . 1 1 0 0 HIS C C 0 174.000 174.000 174.447 -0.447 25800 3489 1 8 . 1 1 0 0 HIS CA C 0 55.300 55.300 56.776 -1.476 25800 3490 1 8 . 1 1 0 0 HIS CB C 0 29.300 29.300 30.178 -0.878 25800 3491 1 8 . 1 1 1 1 MET N N 1 122.400 122.400 122.414 -0.014 25800 3492 1 8 . 1 1 1 1 MET HA H 1 4.340 4.340 4.805 -0.465 25800 3493 1 8 . 1 1 1 1 MET C C 1 175.600 175.600 174.580 1.020 25800 3494 1 8 . 1 1 1 1 MET CA C 1 55.600 55.600 54.176 1.424 25800 3495 1 8 . 1 1 1 1 MET CB C 1 32.800 32.800 36.299 -3.499 25800 3496 1 8 . 1 1 1 1 MET H H 1 8.310 8.310 8.701 -0.391 25800 3497 1 8 . 1 1 2 2 VAL N N 2 123.200 123.200 121.382 1.818 25800 3498 1 8 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.414 -0.454 25800 3499 1 8 . 1 1 2 2 VAL C C 2 175.600 175.600 174.378 1.222 25800 3500 1 8 . 1 1 2 2 VAL CA C 2 62.300 62.300 61.697 0.603 25800 3501 1 8 . 1 1 2 2 VAL CB C 2 32.300 32.300 34.692 -2.392 25800 3502 1 8 . 1 1 2 2 VAL H H 2 8.180 8.180 8.224 -0.044 25800 3503 1 8 . 1 1 3 3 ILE N N 3 126.200 126.200 123.924 2.276 25800 3504 1 8 . 1 1 3 3 ILE HA H 3 4.050 4.050 4.446 -0.396 25800 3505 1 8 . 1 1 3 3 ILE C C 3 175.800 175.800 176.859 -1.059 25800 3506 1 8 . 1 1 3 3 ILE CA C 3 60.700 60.700 60.926 -0.226 25800 3507 1 8 . 1 1 3 3 ILE CB C 3 38.300 38.300 39.891 -1.591 25800 3508 1 8 . 1 1 3 3 ILE H H 3 8.230 8.230 8.480 -0.250 25800 3509 1 8 . 1 1 4 4 ARG N N 4 126.100 126.100 125.609 0.491 25800 3510 1 8 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.240 -0.060 25800 3511 1 8 . 1 1 4 4 ARG C C 4 175.900 175.900 175.252 0.648 25800 3512 1 8 . 1 1 4 4 ARG CA C 4 56.000 56.000 56.580 -0.580 25800 3513 1 8 . 1 1 4 4 ARG CB C 4 30.700 30.700 29.568 1.132 25800 3514 1 8 . 1 1 4 4 ARG H H 4 8.360 8.360 8.728 -0.368 25800 3515 1 8 . 1 1 5 5 GLU N N 5 122.200 122.200 117.282 4.918 25800 3516 1 8 . 1 1 5 5 GLU HA H 5 4.140 4.140 4.454 -0.314 25800 3517 1 8 . 1 1 5 5 GLU C C 5 176.100 176.100 175.698 0.402 25800 3518 1 8 . 1 1 5 5 GLU CA C 5 56.600 56.600 55.596 1.004 25800 3519 1 8 . 1 1 5 5 GLU CB C 5 30.300 30.300 31.828 -1.528 25800 3520 1 8 . 1 1 5 5 GLU H H 5 8.400 8.400 7.554 0.846 25800 3521 1 8 . 1 1 6 6 SER N N 6 116.200 116.200 119.694 -3.494 25800 3522 1 8 . 1 1 6 6 SER HA H 6 4.350 4.350 4.256 0.094 25800 3523 1 8 . 1 1 6 6 SER C C 6 174.300 174.300 174.593 -0.293 25800 3524 1 8 . 1 1 6 6 SER CA C 6 58.200 58.200 59.604 -1.404 25800 3525 1 8 . 1 1 6 6 SER CB C 6 63.800 63.800 63.481 0.319 25800 3526 1 8 . 1 1 6 6 SER H H 6 8.270 8.270 8.461 -0.191 25800 3527 1 8 . 1 1 7 7 VAL N N 7 119.800 119.800 120.710 -0.910 25800 3528 1 8 . 1 1 7 7 VAL HA H 7 4.300 4.300 3.882 0.418 25800 3529 1 8 . 1 1 7 7 VAL C C 7 175.500 175.500 175.389 0.111 25800 3530 1 8 . 1 1 7 7 VAL CA C 7 61.700 61.700 62.313 -0.613 25800 3531 1 8 . 1 1 7 7 VAL CB C 7 32.800 32.800 31.527 1.272 25800 3532 1 8 . 1 1 7 7 VAL H H 7 7.840 7.840 7.937 -0.097 25800 3533 1 8 . 1 1 8 8 SER N N 8 117.800 117.800 121.200 -3.400 25800 3534 1 8 . 1 1 8 8 SER HA H 8 4.240 4.240 4.544 -0.304 25800 3535 1 8 . 1 1 8 8 SER C C 8 172.500 172.500 173.946 -1.446 25800 3536 1 8 . 1 1 8 8 SER CA C 8 58.500 58.500 59.403 -0.903 25800 3537 1 8 . 1 1 8 8 SER CB C 8 63.600 63.600 63.565 0.035 25800 3538 1 8 . 1 1 8 8 SER H H 8 8.530 8.530 8.507 0.023 25800 3539 1 8 . 1 1 9 9 ARG N N 9 123.000 123.000 125.187 -2.187 25800 3540 1 8 . 1 1 9 9 ARG HA H 9 5.500 5.500 5.544 -0.044 25800 3541 1 8 . 1 1 9 9 ARG C C 9 175.000 175.000 175.136 -0.136 25800 3542 1 8 . 1 1 9 9 ARG CA C 9 54.300 54.300 54.906 -0.606 25800 3543 1 8 . 1 1 9 9 ARG CB C 9 33.400 33.400 35.251 -1.851 25800 3544 1 8 . 1 1 9 9 ARG H H 9 7.350 7.350 8.421 -1.071 25800 3545 1 8 . 1 1 10 10 ILE N N 10 114.000 114.000 119.450 -5.450 25800 3546 1 8 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.077 0.743 25800 3547 1 8 . 1 1 10 10 ILE C C 10 173.000 173.000 174.519 -1.519 25800 3548 1 8 . 1 1 10 10 ILE CA C 10 59.400 59.400 60.627 -1.227 25800 3549 1 8 . 1 1 10 10 ILE CB C 10 40.900 40.900 39.880 1.020 25800 3550 1 8 . 1 1 10 10 ILE H H 10 8.830 8.830 8.691 0.139 25800 3551 1 8 . 1 1 11 11 TYR N N 11 123.400 123.400 127.077 -3.677 25800 3552 1 8 . 1 1 11 11 TYR HA H 11 4.930 4.930 5.231 -0.301 25800 3553 1 8 . 1 1 11 11 TYR C C 11 173.000 173.000 173.234 -0.234 25800 3554 1 8 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.559 0.441 25800 3555 1 8 . 1 1 11 11 TYR CB C 11 40.900 40.900 42.239 -1.339 25800 3556 1 8 . 1 1 11 11 TYR H H 11 8.690 8.690 9.021 -0.331 25800 3557 1 8 . 1 1 12 12 VAL N N 12 126.300 126.300 127.077 -0.777 25800 3558 1 8 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.235 0.325 25800 3559 1 8 . 1 1 12 12 VAL C C 12 174.100 174.100 174.059 0.041 25800 3560 1 8 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.559 -0.359 25800 3561 1 8 . 1 1 12 12 VAL CB C 12 33.400 33.400 34.478 -1.078 25800 3562 1 8 . 1 1 12 12 VAL H H 12 8.370 8.370 8.285 0.085 25800 3563 1 8 . 1 1 13 13 GLY N N 13 113.000 113.000 112.084 0.916 25800 3564 1 8 . 1 1 13 13 GLY C C 13 173.100 173.100 173.338 -0.238 25800 3565 1 8 . 1 1 13 13 GLY CA C 13 43.300 43.300 43.081 0.219 25800 3566 1 8 . 1 1 13 13 GLY H H 13 9.350 9.350 8.392 0.958 25800 3567 1 8 . 1 1 14 14 ASN N N 14 113.900 113.900 117.840 -3.940 25800 3568 1 8 . 1 1 14 14 ASN HA H 14 4.280 4.280 4.309 -0.029 25800 3569 1 8 . 1 1 14 14 ASN C C 14 175.800 175.800 175.006 0.794 25800 3570 1 8 . 1 1 14 14 ASN CA C 14 53.600 53.600 54.069 -0.469 25800 3571 1 8 . 1 1 14 14 ASN CB C 14 37.700 37.700 37.120 0.580 25800 3572 1 8 . 1 1 14 14 ASN H H 14 8.800 8.800 8.737 0.063 25800 3573 1 8 . 1 1 15 15 LEU N N 15 115.800 115.800 115.194 0.606 25800 3574 1 8 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.473 0.517 25800 3575 1 8 . 1 1 15 15 LEU CA C 15 55.600 55.600 54.011 1.589 25800 3576 1 8 . 1 1 15 15 LEU CB C 15 41.600 41.600 40.883 0.717 25800 3577 1 8 . 1 1 15 15 LEU H H 15 7.150 7.150 7.569 -0.419 25800 3578 1 8 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.462 -0.392 25800 3579 1 8 . 1 1 16 16 PRO C C 16 171.500 171.500 177.505 -6.005 25800 3580 1 8 . 1 1 16 16 PRO CA C 16 62.500 62.500 63.033 -0.533 25800 3581 1 8 . 1 1 16 16 PRO CB C 16 32.000 32.000 32.116 -0.116 25800 3582 1 8 . 1 1 17 17 SER N N 17 115.200 115.200 113.638 1.562 25800 3583 1 8 . 1 1 17 17 SER HA H 17 4.300 4.300 4.030 0.270 25800 3584 1 8 . 1 1 17 17 SER C C 17 174.200 174.200 173.850 0.350 25800 3585 1 8 . 1 1 17 17 SER CA C 17 58.200 58.200 59.072 -0.872 25800 3586 1 8 . 1 1 17 17 SER CB C 17 63.900 63.900 62.479 1.421 25800 3587 1 8 . 1 1 17 17 SER H H 17 8.470 8.470 8.713 -0.243 25800 3588 1 8 . 1 1 18 18 HIS N N 18 120.800 120.800 118.071 2.729 25800 3589 1 8 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.105 0.445 25800 3590 1 8 . 1 1 18 18 HIS C C 18 175.100 175.100 174.569 0.531 25800 3591 1 8 . 1 1 18 18 HIS CA C 18 55.500 55.500 56.451 -0.951 25800 3592 1 8 . 1 1 18 18 HIS CB C 18 29.300 29.300 28.524 0.776 25800 3593 1 8 . 1 1 18 18 HIS H H 18 8.540 8.540 7.746 0.794 25800 3594 1 8 . 1 1 19 19 VAL N N 19 115.700 115.700 115.819 -0.119 25800 3595 1 8 . 1 1 19 19 VAL HA H 19 4.260 4.260 4.002 0.258 25800 3596 1 8 . 1 1 19 19 VAL C C 19 174.000 174.000 175.812 -1.812 25800 3597 1 8 . 1 1 19 19 VAL CA C 19 61.900 61.900 63.120 -1.220 25800 3598 1 8 . 1 1 19 19 VAL CB C 19 32.600 32.600 31.829 0.770 25800 3599 1 8 . 1 1 19 19 VAL H H 19 6.650 6.650 7.275 -0.625 25800 3600 1 8 . 1 1 20 20 SER N N 20 118.800 118.800 122.615 -3.815 25800 3601 1 8 . 1 1 20 20 SER HA H 20 4.710 4.710 4.291 0.419 25800 3602 1 8 . 1 1 20 20 SER C C 20 175.900 175.900 175.504 0.396 25800 3603 1 8 . 1 1 20 20 SER CA C 20 55.800 55.800 58.090 -2.290 25800 3604 1 8 . 1 1 20 20 SER CB C 20 66.600 66.600 64.589 2.011 25800 3605 1 8 . 1 1 20 20 SER H H 20 8.930 8.930 7.987 0.943 25800 3606 1 8 . 1 1 21 21 SER N N 21 117.100 117.100 121.174 -4.074 25800 3607 1 8 . 1 1 21 21 SER HA H 21 3.880 3.880 4.099 -0.219 25800 3608 1 8 . 1 1 21 21 SER C C 21 176.200 176.200 176.187 0.013 25800 3609 1 8 . 1 1 21 21 SER CA C 21 62.300 62.300 61.398 0.902 25800 3610 1 8 . 1 1 21 21 SER CB C 21 66.800 66.800 63.044 3.756 25800 3611 1 8 . 1 1 21 21 SER H H 21 9.080 9.080 8.795 0.285 25800 3612 1 8 . 1 1 22 22 ARG N N 22 121.200 121.200 119.890 1.310 25800 3613 1 8 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.412 -0.422 25800 3614 1 8 . 1 1 22 22 ARG C C 22 177.900 177.900 178.855 -0.955 25800 3615 1 8 . 1 1 22 22 ARG CA C 22 58.700 58.700 58.680 0.020 25800 3616 1 8 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.433 0.167 25800 3617 1 8 . 1 1 22 22 ARG H H 22 7.940 7.940 8.541 -0.601 25800 3618 1 8 . 1 1 23 23 ASP N N 23 118.800 118.800 120.047 -1.247 25800 3619 1 8 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.486 -0.096 25800 3620 1 8 . 1 1 23 23 ASP C C 23 179.200 179.200 178.451 0.749 25800 3621 1 8 . 1 1 23 23 ASP CA C 23 57.300 57.300 57.056 0.244 25800 3622 1 8 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.417 0.583 25800 3623 1 8 . 1 1 23 23 ASP H H 23 7.480 7.480 7.754 -0.274 25800 3624 1 8 . 1 1 24 24 VAL N N 24 119.500 119.500 119.383 0.117 25800 3625 1 8 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.592 -0.222 25800 3626 1 8 . 1 1 24 24 VAL C C 24 177.500 177.500 177.441 0.059 25800 3627 1 8 . 1 1 24 24 VAL CA C 24 66.900 66.900 65.937 0.963 25800 3628 1 8 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.380 0.020 25800 3629 1 8 . 1 1 24 24 VAL H H 24 7.450 7.450 7.386 0.064 25800 3630 1 8 . 1 1 25 25 GLU N N 25 121.400 121.400 120.856 0.544 25800 3631 1 8 . 1 1 25 25 GLU HA H 25 3.570 3.570 4.168 -0.598 25800 3632 1 8 . 1 1 25 25 GLU C C 25 178.400 178.400 178.966 -0.566 25800 3633 1 8 . 1 1 25 25 GLU CA C 25 60.600 60.600 60.232 0.368 25800 3634 1 8 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.491 0.109 25800 3635 1 8 . 1 1 25 25 GLU H H 25 8.580 8.580 8.717 -0.137 25800 3636 1 8 . 1 1 26 26 ASN N N 26 114.800 114.800 116.071 -1.271 25800 3637 1 8 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.555 -0.235 25800 3638 1 8 . 1 1 26 26 ASN C C 26 177.400 177.400 176.920 0.480 25800 3639 1 8 . 1 1 26 26 ASN CA C 26 55.900 55.900 55.861 0.039 25800 3640 1 8 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.823 -0.923 25800 3641 1 8 . 1 1 26 26 ASN H H 26 8.180 8.180 7.905 0.275 25800 3642 1 8 . 1 1 27 27 GLU N N 27 118.900 118.900 119.311 -0.411 25800 3643 1 8 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.253 -0.113 25800 3644 1 8 . 1 1 27 27 GLU C C 27 176.400 176.400 178.923 -2.523 25800 3645 1 8 . 1 1 27 27 GLU CA C 27 57.400 57.400 58.527 -1.127 25800 3646 1 8 . 1 1 27 27 GLU CB C 27 29.400 29.400 29.885 -0.485 25800 3647 1 8 . 1 1 27 27 GLU H H 27 7.340 7.340 7.511 -0.171 25800 3648 1 8 . 1 1 28 28 PHE N N 28 114.100 114.100 119.564 -5.464 25800 3649 1 8 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.419 0.131 25800 3650 1 8 . 1 1 28 28 PHE C C 28 176.300 176.300 178.483 -2.183 25800 3651 1 8 . 1 1 28 28 PHE CA C 28 60.000 60.000 61.533 -1.533 25800 3652 1 8 . 1 1 28 28 PHE CB C 28 40.800 40.800 38.487 2.313 25800 3653 1 8 . 1 1 28 28 PHE H H 28 7.660 7.660 8.749 -1.089 25800 3654 1 8 . 1 1 29 29 ARG N N 29 121.700 121.700 118.142 3.558 25800 3655 1 8 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.325 0.085 25800 3656 1 8 . 1 1 29 29 ARG C C 29 177.100 177.100 177.454 -0.354 25800 3657 1 8 . 1 1 29 29 ARG CA C 29 58.200 58.200 58.714 -0.514 25800 3658 1 8 . 1 1 29 29 ARG CB C 29 29.300 29.300 30.085 -0.785 25800 3659 1 8 . 1 1 29 29 ARG H H 29 8.120 8.120 7.917 0.203 25800 3660 1 8 . 1 1 30 30 LYS N N 30 117.200 117.200 117.698 -0.498 25800 3661 1 8 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.174 -0.344 25800 3662 1 8 . 1 1 30 30 LYS C C 30 177.100 177.100 177.571 -0.471 25800 3663 1 8 . 1 1 30 30 LYS CA C 30 57.800 57.800 57.850 -0.050 25800 3664 1 8 . 1 1 30 30 LYS CB C 30 31.100 31.100 32.365 -1.266 25800 3665 1 8 . 1 1 30 30 LYS H H 30 7.630 7.630 7.844 -0.214 25800 3666 1 8 . 1 1 31 31 TYR N N 31 117.100 117.100 117.917 -0.817 25800 3667 1 8 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.725 -0.575 25800 3668 1 8 . 1 1 31 31 TYR C C 31 174.400 174.400 175.696 -1.296 25800 3669 1 8 . 1 1 31 31 TYR CA C 31 59.900 59.900 59.187 0.713 25800 3670 1 8 . 1 1 31 31 TYR CB C 31 37.900 37.900 40.093 -2.193 25800 3671 1 8 . 1 1 31 31 TYR H H 31 7.410 7.410 8.213 -0.803 25800 3672 1 8 . 1 1 32 32 GLY N N 32 104.100 104.100 104.238 -0.138 25800 3673 1 8 . 1 1 32 32 GLY C C 32 177.000 177.000 171.766 5.234 25800 3674 1 8 . 1 1 32 32 GLY CA C 32 44.500 44.500 44.567 -0.067 25800 3675 1 8 . 1 1 32 32 GLY H H 32 7.240 7.240 7.971 -0.731 25800 3676 1 8 . 1 1 33 33 ASN N N 33 115.300 115.300 118.650 -3.350 25800 3677 1 8 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.864 -0.424 25800 3678 1 8 . 1 1 33 33 ASN C C 33 175.500 175.500 173.845 1.655 25800 3679 1 8 . 1 1 33 33 ASN CA C 33 54.300 54.300 52.913 1.387 25800 3680 1 8 . 1 1 33 33 ASN CB C 33 38.400 38.400 39.764 -1.365 25800 3681 1 8 . 1 1 33 33 ASN H H 33 8.460 8.460 8.083 0.377 25800 3682 1 8 . 1 1 34 34 ILE N N 34 126.700 126.700 125.021 1.679 25800 3683 1 8 . 1 1 34 34 ILE HA H 34 3.790 3.790 4.883 -1.093 25800 3684 1 8 . 1 1 34 34 ILE C C 34 175.600 175.600 175.577 0.023 25800 3685 1 8 . 1 1 34 34 ILE CA C 34 61.300 61.300 59.336 1.964 25800 3686 1 8 . 1 1 34 34 ILE CB C 34 40.000 40.000 39.435 0.565 25800 3687 1 8 . 1 1 34 34 ILE H H 34 8.050 8.050 8.561 -0.511 25800 3688 1 8 . 1 1 35 35 LEU N N 35 127.400 127.400 128.951 -1.551 25800 3689 1 8 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.379 -0.219 25800 3690 1 8 . 1 1 35 35 LEU C C 35 177.200 177.200 176.545 0.655 25800 3691 1 8 . 1 1 35 35 LEU CA C 35 55.500 55.500 56.416 -0.916 25800 3692 1 8 . 1 1 35 35 LEU CB C 35 42.700 42.700 42.776 -0.076 25800 3693 1 8 . 1 1 35 35 LEU H H 35 8.780 8.780 9.219 -0.439 25800 3694 1 8 . 1 1 36 36 LYS N N 36 117.000 117.000 114.022 2.978 25800 3695 1 8 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.636 -0.396 25800 3696 1 8 . 1 1 36 36 LYS C C 36 173.600 173.600 174.077 -0.477 25800 3697 1 8 . 1 1 36 36 LYS CA C 36 55.900 55.900 55.670 0.230 25800 3698 1 8 . 1 1 36 36 LYS CB C 36 36.600 36.600 34.674 1.926 25800 3699 1 8 . 1 1 36 36 LYS H H 36 7.110 7.110 7.659 -0.549 25800 3700 1 8 . 1 1 37 37 CYS N N 37 125.400 125.400 117.751 7.649 25800 3701 1 8 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.411 -0.711 25800 3702 1 8 . 1 1 37 37 CYS C C 37 171.600 171.600 173.044 -1.444 25800 3703 1 8 . 1 1 37 37 CYS CA C 37 57.900 57.900 57.050 0.850 25800 3704 1 8 . 1 1 37 37 CYS CB C 37 27.100 27.100 31.569 -4.469 25800 3705 1 8 . 1 1 37 37 CYS H H 37 8.610 8.610 8.551 0.059 25800 3706 1 8 . 1 1 38 38 ASP N N 38 128.200 128.200 120.229 7.971 25800 3707 1 8 . 1 1 38 38 ASP HA H 38 4.950 4.950 5.064 -0.114 25800 3708 1 8 . 1 1 38 38 ASP C C 38 174.300 174.300 173.876 0.424 25800 3709 1 8 . 1 1 38 38 ASP CA C 38 53.200 53.200 53.601 -0.401 25800 3710 1 8 . 1 1 38 38 ASP CB C 38 44.300 44.300 45.103 -0.803 25800 3711 1 8 . 1 1 38 38 ASP H H 38 8.290 8.290 8.642 -0.352 25800 3712 1 8 . 1 1 39 39 VAL N N 39 123.500 123.500 120.490 3.010 25800 3713 1 8 . 1 1 39 39 VAL HA H 39 4.300 4.300 4.713 -0.413 25800 3714 1 8 . 1 1 39 39 VAL C C 39 175.000 175.000 175.355 -0.355 25800 3715 1 8 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.326 0.374 25800 3716 1 8 . 1 1 39 39 VAL CB C 39 33.100 33.100 33.323 -0.223 25800 3717 1 8 . 1 1 39 39 VAL H H 39 8.380 8.380 8.540 -0.160 25800 3718 1 8 . 1 1 40 40 LYS N N 40 129.100 129.100 127.265 1.835 25800 3719 1 8 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.564 -0.244 25800 3720 1 8 . 1 1 40 40 LYS C C 40 173.700 173.700 175.387 -1.687 25800 3721 1 8 . 1 1 40 40 LYS CA C 40 53.900 53.900 56.005 -2.104 25800 3722 1 8 . 1 1 40 40 LYS CB C 40 35.500 35.500 34.112 1.388 25800 3723 1 8 . 1 1 40 40 LYS H H 40 8.680 8.680 9.191 -0.511 25800 3724 1 8 . 1 1 41 41 LYS N N 41 117.300 117.300 121.447 -4.147 25800 3725 1 8 . 1 1 41 41 LYS HA H 41 4.980 4.980 5.055 -0.075 25800 3726 1 8 . 1 1 41 41 LYS C C 41 177.800 177.800 175.574 2.226 25800 3727 1 8 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.243 0.357 25800 3728 1 8 . 1 1 41 41 LYS CB C 41 35.000 35.000 35.136 -0.136 25800 3729 1 8 . 1 1 41 41 LYS H H 41 7.900 7.900 8.232 -0.332 25800 3730 1 8 . 1 1 42 42 THR N N 42 113.200 113.200 115.329 -2.129 25800 3731 1 8 . 1 1 42 42 THR HA H 42 4.680 4.680 4.582 0.098 25800 3732 1 8 . 1 1 42 42 THR C C 42 176.900 176.900 174.237 2.663 25800 3733 1 8 . 1 1 42 42 THR CA C 42 60.200 60.200 60.407 -0.207 25800 3734 1 8 . 1 1 42 42 THR CB C 42 71.600 71.600 70.615 0.984 25800 3735 1 8 . 1 1 42 42 THR H H 42 8.730 8.730 8.591 0.139 25800 3736 1 8 . 1 1 43 43 VAL N N 43 120.000 120.000 125.220 -5.220 25800 3737 1 8 . 1 1 43 43 VAL HA H 43 3.920 3.920 3.898 0.022 25800 3738 1 8 . 1 1 43 43 VAL C C 43 177.000 177.000 177.206 -0.206 25800 3739 1 8 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.457 0.243 25800 3740 1 8 . 1 1 43 43 VAL CB C 43 31.800 31.800 31.963 -0.163 25800 3741 1 8 . 1 1 43 43 VAL H H 43 8.730 8.730 8.799 -0.069 25800 3742 1 8 . 1 1 44 44 SER N N 44 113.400 113.400 114.752 -1.352 25800 3743 1 8 . 1 1 44 44 SER HA H 44 4.360 4.360 4.418 -0.058 25800 3744 1 8 . 1 1 44 44 SER C C 44 174.800 174.800 174.691 0.109 25800 3745 1 8 . 1 1 44 44 SER CA C 44 58.400 58.400 57.599 0.802 25800 3746 1 8 . 1 1 44 44 SER CB C 44 63.500 63.500 61.802 1.698 25800 3747 1 8 . 1 1 44 44 SER H H 44 7.760 7.760 8.287 -0.527 25800 3748 1 8 . 1 1 45 45 GLY N N 45 110.200 110.200 109.326 0.874 25800 3749 1 8 . 1 1 45 45 GLY C C 45 173.500 173.500 173.819 -0.319 25800 3750 1 8 . 1 1 45 45 GLY CA C 45 45.300 45.300 45.851 -0.551 25800 3751 1 8 . 1 1 45 45 GLY H H 45 7.820 7.820 7.813 0.007 25800 3752 1 8 . 1 1 46 46 ALA N N 46 123.900 123.900 121.639 2.261 25800 3753 1 8 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.733 -0.343 25800 3754 1 8 . 1 1 46 46 ALA C C 46 176.100 176.100 174.920 1.180 25800 3755 1 8 . 1 1 46 46 ALA CA C 46 51.900 51.900 50.726 1.174 25800 3756 1 8 . 1 1 46 46 ALA CB C 46 19.800 19.800 21.824 -2.024 25800 3757 1 8 . 1 1 46 46 ALA H H 46 7.440 7.440 7.528 -0.088 25800 3758 1 8 . 1 1 47 47 ALA N N 47 123.100 123.100 121.936 1.164 25800 3759 1 8 . 1 1 47 47 ALA HA H 47 5.200 5.200 4.715 0.485 25800 3760 1 8 . 1 1 47 47 ALA C C 47 176.100 176.100 175.004 1.096 25800 3761 1 8 . 1 1 47 47 ALA CA C 47 50.900 50.900 50.724 0.177 25800 3762 1 8 . 1 1 47 47 ALA CB C 47 21.900 21.900 22.265 -0.365 25800 3763 1 8 . 1 1 47 47 ALA H H 47 8.350 8.350 8.130 0.220 25800 3764 1 8 . 1 1 48 48 PHE N N 48 118.700 118.700 118.784 -0.084 25800 3765 1 8 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.311 -0.281 25800 3766 1 8 . 1 1 48 48 PHE C C 48 171.600 171.600 174.191 -2.591 25800 3767 1 8 . 1 1 48 48 PHE CA C 48 55.700 55.700 54.750 0.950 25800 3768 1 8 . 1 1 48 48 PHE CB C 48 41.200 41.200 42.084 -0.883 25800 3769 1 8 . 1 1 48 48 PHE H H 48 8.550 8.550 8.573 -0.023 25800 3770 1 8 . 1 1 49 49 ALA N N 49 120.400 120.400 125.014 -4.614 25800 3771 1 8 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.068 0.262 25800 3772 1 8 . 1 1 49 49 ALA C C 49 175.500 175.500 175.461 0.039 25800 3773 1 8 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.392 -1.092 25800 3774 1 8 . 1 1 49 49 ALA CB C 49 23.700 23.700 20.971 2.729 25800 3775 1 8 . 1 1 49 49 ALA H H 49 9.240 9.240 8.964 0.276 25800 3776 1 8 . 1 1 50 50 PHE N N 50 115.000 115.000 120.327 -5.327 25800 3777 1 8 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.670 -0.070 25800 3778 1 8 . 1 1 50 50 PHE C C 50 176.000 176.000 174.655 1.345 25800 3779 1 8 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.307 0.193 25800 3780 1 8 . 1 1 50 50 PHE CB C 50 42.200 42.200 43.753 -1.553 25800 3781 1 8 . 1 1 50 50 PHE H H 50 7.920 7.920 8.856 -0.936 25800 3782 1 8 . 1 1 51 51 ILE N N 51 123.000 123.000 120.391 2.609 25800 3783 1 8 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.690 -0.240 25800 3784 1 8 . 1 1 51 51 ILE C C 51 173.700 173.700 174.760 -1.060 25800 3785 1 8 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.669 -0.469 25800 3786 1 8 . 1 1 51 51 ILE CB C 51 40.700 40.700 41.594 -0.894 25800 3787 1 8 . 1 1 51 51 ILE H H 51 8.490 8.490 8.640 -0.150 25800 3788 1 8 . 1 1 52 52 GLU N N 52 126.600 126.600 127.102 -0.502 25800 3789 1 8 . 1 1 52 52 GLU HA H 52 4.770 4.770 4.913 -0.143 25800 3790 1 8 . 1 1 52 52 GLU C C 52 175.300 175.300 175.346 -0.046 25800 3791 1 8 . 1 1 52 52 GLU CA C 52 54.700 54.700 56.884 -2.184 25800 3792 1 8 . 1 1 52 52 GLU CB C 52 31.500 31.500 31.102 0.398 25800 3793 1 8 . 1 1 52 52 GLU H H 52 8.610 8.610 8.889 -0.279 25800 3794 1 8 . 1 1 53 53 PHE N N 53 126.100 126.100 126.316 -0.216 25800 3795 1 8 . 1 1 53 53 PHE HA H 53 4.800 4.800 5.304 -0.504 25800 3796 1 8 . 1 1 53 53 PHE C C 53 175.400 175.400 174.357 1.043 25800 3797 1 8 . 1 1 53 53 PHE CA C 53 58.200 58.200 56.603 1.597 25800 3798 1 8 . 1 1 53 53 PHE CB C 53 40.900 40.900 43.460 -2.560 25800 3799 1 8 . 1 1 53 53 PHE H H 53 8.800 8.800 9.183 -0.383 25800 3800 1 8 . 1 1 54 54 GLU N N 54 120.700 120.700 125.242 -4.542 25800 3801 1 8 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.109 -0.179 25800 3802 1 8 . 1 1 54 54 GLU C C 54 175.300 175.300 176.001 -0.701 25800 3803 1 8 . 1 1 54 54 GLU CA C 54 59.100 59.100 58.620 0.480 25800 3804 1 8 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.402 0.397 25800 3805 1 8 . 1 1 54 54 GLU H H 54 8.160 8.160 8.319 -0.159 25800 3806 1 8 . 1 1 55 55 ASP N N 55 117.900 117.900 119.887 -1.987 25800 3807 1 8 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.732 0.188 25800 3808 1 8 . 1 1 55 55 ASP C C 55 176.400 176.400 175.548 0.852 25800 3809 1 8 . 1 1 55 55 ASP CA C 55 52.400 52.400 52.661 -0.261 25800 3810 1 8 . 1 1 55 55 ASP CB C 55 44.400 44.400 39.877 4.522 25800 3811 1 8 . 1 1 55 55 ASP H H 55 8.740 8.740 7.818 0.922 25800 3812 1 8 . 1 1 56 56 ALA N N 56 128.900 128.900 125.020 3.880 25800 3813 1 8 . 1 1 56 56 ALA HA H 56 3.830 3.830 2.875 0.955 25800 3814 1 8 . 1 1 56 56 ALA C C 56 179.800 179.800 177.939 1.861 25800 3815 1 8 . 1 1 56 56 ALA CA C 56 55.200 55.200 55.156 0.044 25800 3816 1 8 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.958 -0.058 25800 3817 1 8 . 1 1 56 56 ALA H H 56 8.800 8.800 7.735 1.065 25800 3818 1 8 . 1 1 57 57 ARG N N 57 119.200 119.200 113.422 5.778 25800 3819 1 8 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.317 -0.427 25800 3820 1 8 . 1 1 57 57 ARG C C 57 178.000 178.000 176.363 1.637 25800 3821 1 8 . 1 1 57 57 ARG CA C 57 58.900 58.900 57.284 1.616 25800 3822 1 8 . 1 1 57 57 ARG CB C 57 29.300 29.300 29.754 -0.454 25800 3823 1 8 . 1 1 57 57 ARG H H 57 8.950 8.950 8.023 0.927 25800 3824 1 8 . 1 1 58 58 ASP N N 58 120.900 120.900 121.498 -0.598 25800 3825 1 8 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.583 -0.493 25800 3826 1 8 . 1 1 58 58 ASP C C 58 176.700 176.700 177.741 -1.041 25800 3827 1 8 . 1 1 58 58 ASP CA C 58 56.500 56.500 56.602 -0.102 25800 3828 1 8 . 1 1 58 58 ASP CB C 58 39.900 39.900 41.090 -1.190 25800 3829 1 8 . 1 1 58 58 ASP H H 58 7.020 7.020 7.768 -0.748 25800 3830 1 8 . 1 1 59 59 ALA N N 59 119.700 119.700 121.845 -2.145 25800 3831 1 8 . 1 1 59 59 ALA HA H 59 3.080 3.080 4.781 -1.701 25800 3832 1 8 . 1 1 59 59 ALA C C 59 178.100 178.100 179.589 -1.489 25800 3833 1 8 . 1 1 59 59 ALA CA C 59 54.300 54.300 53.987 0.313 25800 3834 1 8 . 1 1 59 59 ALA CB C 59 18.400 18.400 18.556 -0.156 25800 3835 1 8 . 1 1 59 59 ALA H H 59 6.440 6.440 8.514 -2.074 25800 3836 1 8 . 1 1 60 60 ALA N N 60 117.600 117.600 123.345 -5.745 25800 3837 1 8 . 1 1 60 60 ALA HA H 60 3.830 3.830 4.096 -0.266 25800 3838 1 8 . 1 1 60 60 ALA C C 60 180.900 180.900 178.895 2.005 25800 3839 1 8 . 1 1 60 60 ALA CA C 60 54.900 54.900 54.898 0.002 25800 3840 1 8 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.114 -0.414 25800 3841 1 8 . 1 1 60 60 ALA H H 60 7.330 7.330 7.974 -0.644 25800 3842 1 8 . 1 1 61 61 ASP N N 61 120.100 120.100 118.968 1.132 25800 3843 1 8 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.438 -0.228 25800 3844 1 8 . 1 1 61 61 ASP C C 61 176.700 176.700 178.137 -1.437 25800 3845 1 8 . 1 1 61 61 ASP CA C 61 57.100 57.100 57.388 -0.288 25800 3846 1 8 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.477 -0.377 25800 3847 1 8 . 1 1 61 61 ASP H H 61 7.590 7.590 8.094 -0.504 25800 3848 1 8 . 1 1 62 62 ALA N N 62 122.200 122.200 119.837 2.363 25800 3849 1 8 . 1 1 62 62 ALA HA H 62 2.420 2.420 4.065 -1.645 25800 3850 1 8 . 1 1 62 62 ALA C C 62 179.300 179.300 178.332 0.968 25800 3851 1 8 . 1 1 62 62 ALA CA C 62 54.600 54.600 54.125 0.475 25800 3852 1 8 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.814 0.286 25800 3853 1 8 . 1 1 62 62 ALA H H 62 7.440 7.440 7.927 -0.487 25800 3854 1 8 . 1 1 63 63 ILE N N 63 116.700 116.700 118.044 -1.344 25800 3855 1 8 . 1 1 63 63 ILE HA H 63 3.240 3.240 4.228 -0.988 25800 3856 1 8 . 1 1 63 63 ILE C C 63 177.800 177.800 177.271 0.529 25800 3857 1 8 . 1 1 63 63 ILE CA C 63 65.600 65.600 61.899 3.701 25800 3858 1 8 . 1 1 63 63 ILE CB C 63 38.900 38.900 39.269 -0.369 25800 3859 1 8 . 1 1 63 63 ILE H H 63 7.540 7.540 7.514 0.026 25800 3860 1 8 . 1 1 64 64 LYS N N 64 117.400 117.400 120.566 -3.166 25800 3861 1 8 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.240 -0.340 25800 3862 1 8 . 1 1 64 64 LYS C C 64 178.900 178.900 177.860 1.040 25800 3863 1 8 . 1 1 64 64 LYS CA C 64 58.800 58.800 58.114 0.686 25800 3864 1 8 . 1 1 64 64 LYS CB C 64 32.600 32.600 32.342 0.258 25800 3865 1 8 . 1 1 64 64 LYS H H 64 7.490 7.490 8.450 -0.960 25800 3866 1 8 . 1 1 65 65 GLU N N 65 113.800 113.800 116.428 -2.628 25800 3867 1 8 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.466 -0.306 25800 3868 1 8 . 1 1 65 65 GLU C C 65 178.300 178.300 176.644 1.656 25800 3869 1 8 . 1 1 65 65 GLU CA C 65 58.300 58.300 56.604 1.696 25800 3870 1 8 . 1 1 65 65 GLU CB C 65 30.700 30.700 30.198 0.502 25800 3871 1 8 . 1 1 65 65 GLU H H 65 7.960 7.960 8.017 -0.057 25800 3872 1 8 . 1 1 66 66 LYS N N 66 114.700 114.700 118.767 -4.067 25800 3873 1 8 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.582 -0.112 25800 3874 1 8 . 1 1 66 66 LYS C C 66 177.500 177.500 176.473 1.027 25800 3875 1 8 . 1 1 66 66 LYS CA C 66 54.400 54.400 55.712 -1.312 25800 3876 1 8 . 1 1 66 66 LYS CB C 66 33.000 33.000 33.667 -0.667 25800 3877 1 8 . 1 1 66 66 LYS H H 66 8.050 8.050 7.980 0.070 25800 3878 1 8 . 1 1 67 67 ASP N N 67 118.800 118.800 121.367 -2.567 25800 3879 1 8 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.472 -0.252 25800 3880 1 8 . 1 1 67 67 ASP C C 67 177.700 177.700 177.414 0.286 25800 3881 1 8 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.703 3.697 25800 3882 1 8 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.290 0.110 25800 3883 1 8 . 1 1 67 67 ASP H H 67 7.620 7.620 7.906 -0.286 25800 3884 1 8 . 1 1 68 68 GLY N N 68 115.600 115.600 107.927 7.673 25800 3885 1 8 . 1 1 68 68 GLY C C 68 173.800 173.800 174.692 -0.892 25800 3886 1 8 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.800 1.100 25800 3887 1 8 . 1 1 68 68 GLY H H 68 8.470 8.470 8.606 -0.136 25800 3888 1 8 . 1 1 69 69 CYS N N 69 119.200 119.200 119.990 -0.790 25800 3889 1 8 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.536 -0.376 25800 3890 1 8 . 1 1 69 69 CYS C C 69 172.600 172.600 174.241 -1.641 25800 3891 1 8 . 1 1 69 69 CYS CA C 69 58.000 58.000 57.623 0.377 25800 3892 1 8 . 1 1 69 69 CYS CB C 69 28.700 28.700 28.474 0.226 25800 3893 1 8 . 1 1 69 69 CYS H H 69 7.890 7.890 7.981 -0.091 25800 3894 1 8 . 1 1 70 70 ASP N N 70 122.200 122.200 124.387 -2.187 25800 3895 1 8 . 1 1 70 70 ASP HA H 70 4.830 4.830 5.016 -0.186 25800 3896 1 8 . 1 1 70 70 ASP C C 70 176.400 176.400 174.351 2.049 25800 3897 1 8 . 1 1 70 70 ASP CA C 70 54.700 54.700 53.931 0.770 25800 3898 1 8 . 1 1 70 70 ASP CB C 70 42.700 42.700 44.456 -1.756 25800 3899 1 8 . 1 1 70 70 ASP H H 70 8.360 8.360 8.665 -0.305 25800 3900 1 8 . 1 1 71 71 PHE N N 71 127.600 127.600 122.417 5.183 25800 3901 1 8 . 1 1 71 71 PHE HA H 71 4.600 4.600 4.877 -0.277 25800 3902 1 8 . 1 1 71 71 PHE C C 71 173.600 173.600 174.992 -1.392 25800 3903 1 8 . 1 1 71 71 PHE CA C 71 56.800 56.800 57.461 -0.661 25800 3904 1 8 . 1 1 71 71 PHE CB C 71 40.700 40.700 42.277 -1.577 25800 3905 1 8 . 1 1 71 71 PHE H H 71 9.390 9.390 8.493 0.897 25800 3906 1 8 . 1 1 72 72 GLU N N 72 123.900 123.900 118.244 5.656 25800 3907 1 8 . 1 1 72 72 GLU HA H 72 3.540 3.540 3.810 -0.270 25800 3908 1 8 . 1 1 72 72 GLU C C 72 175.500 175.500 174.980 0.520 25800 3909 1 8 . 1 1 72 72 GLU CA C 72 56.700 56.700 56.841 -0.141 25800 3910 1 8 . 1 1 72 72 GLU CB C 72 27.300 27.300 28.712 -1.411 25800 3911 1 8 . 1 1 72 72 GLU H H 72 8.940 8.940 7.930 1.010 25800 3912 1 8 . 1 1 73 73 GLY N N 73 105.200 105.200 105.275 -0.075 25800 3913 1 8 . 1 1 73 73 GLY C C 73 174.100 174.100 173.992 0.108 25800 3914 1 8 . 1 1 73 73 GLY CA C 73 45.600 45.600 45.125 0.475 25800 3915 1 8 . 1 1 73 73 GLY H H 73 8.350 8.350 7.904 0.446 25800 3916 1 8 . 1 1 74 74 ASN N N 74 121.000 121.000 120.725 0.275 25800 3917 1 8 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.767 -0.007 25800 3918 1 8 . 1 1 74 74 ASN C C 74 174.000 174.000 173.789 0.211 25800 3919 1 8 . 1 1 74 74 ASN CA C 74 50.900 50.900 53.373 -2.473 25800 3920 1 8 . 1 1 74 74 ASN CB C 74 39.700 39.700 39.088 0.612 25800 3921 1 8 . 1 1 74 74 ASN H H 74 7.740 7.740 8.566 -0.826 25800 3922 1 8 . 1 1 75 75 LYS N N 75 121.400 121.400 119.456 1.944 25800 3923 1 8 . 1 1 75 75 LYS HA H 75 4.470 4.470 5.051 -0.581 25800 3924 1 8 . 1 1 75 75 LYS C C 75 176.900 176.900 175.314 1.586 25800 3925 1 8 . 1 1 75 75 LYS CA C 75 55.300 55.300 55.643 -0.343 25800 3926 1 8 . 1 1 75 75 LYS CB C 75 31.900 31.900 34.416 -2.516 25800 3927 1 8 . 1 1 75 75 LYS H H 75 8.380 8.380 8.392 -0.012 25800 3928 1 8 . 1 1 76 76 LEU N N 76 127.400 127.400 125.521 1.879 25800 3929 1 8 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.551 -0.121 25800 3930 1 8 . 1 1 76 76 LEU C C 76 177.600 177.600 173.892 3.708 25800 3931 1 8 . 1 1 76 76 LEU CA C 76 55.300 55.300 55.747 -0.447 25800 3932 1 8 . 1 1 76 76 LEU CB C 76 43.100 43.100 46.035 -2.934 25800 3933 1 8 . 1 1 76 76 LEU H H 76 8.950 8.950 9.175 -0.226 25800 3934 1 8 . 1 1 77 77 ARG N N 77 121.800 121.800 126.676 -4.876 25800 3935 1 8 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.896 0.004 25800 3936 1 8 . 1 1 77 77 ARG C C 77 174.700 174.700 173.492 1.208 25800 3937 1 8 . 1 1 77 77 ARG CA C 77 54.000 54.000 55.279 -1.280 25800 3938 1 8 . 1 1 77 77 ARG CB C 77 32.300 32.300 34.172 -1.872 25800 3939 1 8 . 1 1 77 77 ARG H H 77 7.530 7.530 8.593 -1.063 25800 3940 1 8 . 1 1 78 78 VAL N N 78 127.000 127.000 124.174 2.826 25800 3941 1 8 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.647 0.633 25800 3942 1 8 . 1 1 78 78 VAL C C 78 174.200 174.200 174.611 -0.411 25800 3943 1 8 . 1 1 78 78 VAL CA C 78 61.200 61.200 60.996 0.204 25800 3944 1 8 . 1 1 78 78 VAL CB C 78 33.400 33.400 35.768 -2.368 25800 3945 1 8 . 1 1 78 78 VAL H H 78 9.660 9.660 8.513 1.147 25800 3946 1 8 . 1 1 79 79 GLU N N 79 121.900 121.900 125.187 -3.287 25800 3947 1 8 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.711 -0.001 25800 3948 1 8 . 1 1 79 79 GLU C C 79 174.600 174.600 174.205 0.395 25800 3949 1 8 . 1 1 79 79 GLU CA C 79 53.900 53.900 54.848 -0.948 25800 3950 1 8 . 1 1 79 79 GLU CB C 79 34.400 34.400 34.344 0.056 25800 3951 1 8 . 1 1 79 79 GLU H H 79 8.980 8.980 8.761 0.219 25800 3952 1 8 . 1 1 80 80 VAL N N 80 121.300 121.300 121.022 0.278 25800 3953 1 8 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.411 -0.041 25800 3954 1 8 . 1 1 80 80 VAL CA C 80 61.000 61.000 58.244 2.756 25800 3955 1 8 . 1 1 80 80 VAL CB C 80 32.100 32.100 31.311 0.789 25800 3956 1 8 . 1 1 80 80 VAL H H 80 8.410 8.410 8.464 -0.054 25800 3957 1 8 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.381 -0.121 25800 3958 1 8 . 1 1 81 81 PRO C C 81 176.100 176.100 176.873 -0.773 25800 3959 1 8 . 1 1 81 81 PRO CA C 81 63.100 63.100 64.656 -1.556 25800 3960 1 8 . 1 1 81 81 PRO CB C 81 32.100 32.100 31.532 0.568 25800 3961 1 8 . 1 1 82 82 PHE N N 82 122.200 122.200 116.771 5.429 25800 3962 1 8 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.602 -0.312 25800 3963 1 8 . 1 1 82 82 PHE C C 82 175.300 175.300 175.677 -0.377 25800 3964 1 8 . 1 1 82 82 PHE CA C 82 58.100 58.100 55.458 2.642 25800 3965 1 8 . 1 1 82 82 PHE CB C 82 39.400 39.400 37.306 2.094 25800 3966 1 8 . 1 1 82 82 PHE H H 82 8.150 8.150 7.261 0.889 25800 3967 1 8 . 1 1 83 83 ASN N N 83 120.800 120.800 120.028 0.772 25800 3968 1 8 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.700 -0.260 25800 3969 1 8 . 1 1 83 83 ASN C C 83 174.100 174.100 174.561 -0.461 25800 3970 1 8 . 1 1 83 83 ASN CA C 83 52.700 52.700 53.211 -0.511 25800 3971 1 8 . 1 1 83 83 ASN CB C 83 38.700 38.700 36.718 1.982 25800 3972 1 8 . 1 1 83 83 ASN H H 83 8.110 8.110 7.968 0.142 25800 3973 1 8 . 1 1 84 84 ALA N N 84 123.700 123.700 125.209 -1.509 25800 3974 1 8 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.702 -0.622 25800 3975 1 8 . 1 1 84 84 ALA C C 84 177.100 177.100 177.586 -0.486 25800 3976 1 8 . 1 1 84 84 ALA CA C 84 52.400 52.400 51.328 1.072 25800 3977 1 8 . 1 1 84 84 ALA CB C 84 19.100 19.100 20.693 -1.593 25800 3978 1 8 . 1 1 84 84 ALA H H 84 8.020 8.020 8.468 -0.448 25800 3979 1 8 . 1 1 85 85 ARG N N 85 120.200 120.200 115.352 4.848 25800 3980 1 8 . 1 1 85 85 ARG HA H 85 4.150 4.150 3.990 0.160 25800 3981 1 8 . 1 1 85 85 ARG C C 85 175.200 175.200 176.470 -1.270 25800 3982 1 8 . 1 1 85 85 ARG CA C 85 56.000 56.000 57.870 -1.870 25800 3983 1 8 . 1 1 85 85 ARG CB C 85 30.800 30.800 27.770 3.030 25800 3984 1 8 . 1 1 85 85 ARG H H 85 8.040 8.040 8.836 -0.796 25800 3985 1 9 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.417 0.173 25800 3986 1 9 . 1 1 0 0 HIS C C 0 174.000 174.000 175.590 -1.590 25800 3987 1 9 . 1 1 0 0 HIS CA C 0 55.300 55.300 57.127 -1.827 25800 3988 1 9 . 1 1 0 0 HIS CB C 0 29.300 29.300 30.049 -0.749 25800 3989 1 9 . 1 1 1 1 MET N N 1 122.400 122.400 114.304 8.096 25800 3990 1 9 . 1 1 1 1 MET HA H 1 4.340 4.340 4.151 0.189 25800 3991 1 9 . 1 1 1 1 MET C C 1 175.600 175.600 175.405 0.195 25800 3992 1 9 . 1 1 1 1 MET CA C 1 55.600 55.600 55.527 0.073 25800 3993 1 9 . 1 1 1 1 MET CB C 1 32.800 32.800 30.339 2.461 25800 3994 1 9 . 1 1 1 1 MET H H 1 8.310 8.310 8.487 -0.177 25800 3995 1 9 . 1 1 2 2 VAL N N 2 123.200 123.200 120.390 2.810 25800 3996 1 9 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.015 -0.055 25800 3997 1 9 . 1 1 2 2 VAL C C 2 175.600 175.600 175.446 0.154 25800 3998 1 9 . 1 1 2 2 VAL CA C 2 62.300 62.300 62.976 -0.676 25800 3999 1 9 . 1 1 2 2 VAL CB C 2 32.300 32.300 32.487 -0.187 25800 4000 1 9 . 1 1 2 2 VAL H H 2 8.180 8.180 7.861 0.319 25800 4001 1 9 . 1 1 3 3 ILE N N 3 126.200 126.200 123.075 3.125 25800 4002 1 9 . 1 1 3 3 ILE HA H 3 4.050 4.050 4.553 -0.503 25800 4003 1 9 . 1 1 3 3 ILE C C 3 175.800 175.800 175.100 0.700 25800 4004 1 9 . 1 1 3 3 ILE CA C 3 60.700 60.700 60.331 0.369 25800 4005 1 9 . 1 1 3 3 ILE CB C 3 38.300 38.300 40.027 -1.727 25800 4006 1 9 . 1 1 3 3 ILE H H 3 8.230 8.230 7.926 0.304 25800 4007 1 9 . 1 1 4 4 ARG N N 4 126.100 126.100 123.295 2.805 25800 4008 1 9 . 1 1 4 4 ARG HA H 4 4.180 4.180 3.980 0.200 25800 4009 1 9 . 1 1 4 4 ARG C C 4 175.900 175.900 175.831 0.069 25800 4010 1 9 . 1 1 4 4 ARG CA C 4 56.000 56.000 57.269 -1.269 25800 4011 1 9 . 1 1 4 4 ARG CB C 4 30.700 30.700 30.044 0.655 25800 4012 1 9 . 1 1 4 4 ARG H H 4 8.360 8.360 8.670 -0.310 25800 4013 1 9 . 1 1 5 5 GLU N N 5 122.200 122.200 117.248 4.952 25800 4014 1 9 . 1 1 5 5 GLU HA H 5 4.140 4.140 4.074 0.066 25800 4015 1 9 . 1 1 5 5 GLU C C 5 176.100 176.100 175.308 0.792 25800 4016 1 9 . 1 1 5 5 GLU CA C 5 56.600 56.600 58.516 -1.916 25800 4017 1 9 . 1 1 5 5 GLU CB C 5 30.300 30.300 28.303 1.997 25800 4018 1 9 . 1 1 5 5 GLU H H 5 8.400 8.400 8.681 -0.281 25800 4019 1 9 . 1 1 6 6 SER N N 6 116.200 116.200 113.212 2.988 25800 4020 1 9 . 1 1 6 6 SER HA H 6 4.350 4.350 4.645 -0.295 25800 4021 1 9 . 1 1 6 6 SER C C 6 174.300 174.300 173.212 1.088 25800 4022 1 9 . 1 1 6 6 SER CA C 6 58.200 58.200 57.461 0.739 25800 4023 1 9 . 1 1 6 6 SER CB C 6 63.800 63.800 64.768 -0.968 25800 4024 1 9 . 1 1 6 6 SER H H 6 8.270 8.270 7.620 0.650 25800 4025 1 9 . 1 1 7 7 VAL N N 7 119.800 119.800 121.792 -1.992 25800 4026 1 9 . 1 1 7 7 VAL HA H 7 4.300 4.300 4.366 -0.066 25800 4027 1 9 . 1 1 7 7 VAL C C 7 175.500 175.500 174.899 0.601 25800 4028 1 9 . 1 1 7 7 VAL CA C 7 61.700 61.700 61.892 -0.192 25800 4029 1 9 . 1 1 7 7 VAL CB C 7 32.800 32.800 34.873 -2.073 25800 4030 1 9 . 1 1 7 7 VAL H H 7 7.840 7.840 8.462 -0.622 25800 4031 1 9 . 1 1 8 8 SER N N 8 117.800 117.800 125.805 -8.005 25800 4032 1 9 . 1 1 8 8 SER HA H 8 4.240 4.240 4.532 -0.292 25800 4033 1 9 . 1 1 8 8 SER C C 8 172.500 172.500 173.739 -1.239 25800 4034 1 9 . 1 1 8 8 SER CA C 8 58.500 58.500 57.770 0.730 25800 4035 1 9 . 1 1 8 8 SER CB C 8 63.600 63.600 62.009 1.591 25800 4036 1 9 . 1 1 8 8 SER H H 8 8.530 8.530 8.952 -0.422 25800 4037 1 9 . 1 1 9 9 ARG N N 9 123.000 123.000 124.571 -1.571 25800 4038 1 9 . 1 1 9 9 ARG HA H 9 5.500 5.500 4.526 0.974 25800 4039 1 9 . 1 1 9 9 ARG C C 9 175.000 175.000 176.056 -1.056 25800 4040 1 9 . 1 1 9 9 ARG CA C 9 54.300 54.300 56.187 -1.887 25800 4041 1 9 . 1 1 9 9 ARG CB C 9 33.400 33.400 30.758 2.642 25800 4042 1 9 . 1 1 9 9 ARG H H 9 7.350 7.350 7.873 -0.523 25800 4043 1 9 . 1 1 10 10 ILE N N 10 114.000 114.000 124.274 -10.274 25800 4044 1 9 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.040 0.780 25800 4045 1 9 . 1 1 10 10 ILE C C 10 173.000 173.000 175.027 -2.027 25800 4046 1 9 . 1 1 10 10 ILE CA C 10 59.400 59.400 61.304 -1.904 25800 4047 1 9 . 1 1 10 10 ILE CB C 10 40.900 40.900 39.279 1.621 25800 4048 1 9 . 1 1 10 10 ILE H H 10 8.830 8.830 8.688 0.142 25800 4049 1 9 . 1 1 11 11 TYR N N 11 123.400 123.400 125.200 -1.800 25800 4050 1 9 . 1 1 11 11 TYR HA H 11 4.930 4.930 5.251 -0.321 25800 4051 1 9 . 1 1 11 11 TYR C C 11 173.000 173.000 173.212 -0.212 25800 4052 1 9 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.971 0.029 25800 4053 1 9 . 1 1 11 11 TYR CB C 11 40.900 40.900 42.326 -1.426 25800 4054 1 9 . 1 1 11 11 TYR H H 11 8.690 8.690 8.080 0.610 25800 4055 1 9 . 1 1 12 12 VAL N N 12 126.300 126.300 124.544 1.756 25800 4056 1 9 . 1 1 12 12 VAL HA H 12 4.560 4.560 3.927 0.633 25800 4057 1 9 . 1 1 12 12 VAL C C 12 174.100 174.100 173.708 0.392 25800 4058 1 9 . 1 1 12 12 VAL CA C 12 60.200 60.200 61.004 -0.804 25800 4059 1 9 . 1 1 12 12 VAL CB C 12 33.400 33.400 35.681 -2.281 25800 4060 1 9 . 1 1 12 12 VAL H H 12 8.370 8.370 7.818 0.552 25800 4061 1 9 . 1 1 13 13 GLY N N 13 113.000 113.000 110.925 2.075 25800 4062 1 9 . 1 1 13 13 GLY C C 13 173.100 173.100 173.129 -0.029 25800 4063 1 9 . 1 1 13 13 GLY CA C 13 43.300 43.300 43.438 -0.138 25800 4064 1 9 . 1 1 13 13 GLY H H 13 9.350 9.350 8.559 0.791 25800 4065 1 9 . 1 1 14 14 ASN N N 14 113.900 113.900 120.143 -6.243 25800 4066 1 9 . 1 1 14 14 ASN HA H 14 4.280 4.280 4.238 0.042 25800 4067 1 9 . 1 1 14 14 ASN C C 14 175.800 175.800 175.055 0.745 25800 4068 1 9 . 1 1 14 14 ASN CA C 14 53.600 53.600 53.837 -0.236 25800 4069 1 9 . 1 1 14 14 ASN CB C 14 37.700 37.700 38.334 -0.634 25800 4070 1 9 . 1 1 14 14 ASN H H 14 8.800 8.800 8.476 0.324 25800 4071 1 9 . 1 1 15 15 LEU N N 15 115.800 115.800 115.955 -0.155 25800 4072 1 9 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.559 0.431 25800 4073 1 9 . 1 1 15 15 LEU CA C 15 55.600 55.600 53.056 2.544 25800 4074 1 9 . 1 1 15 15 LEU CB C 15 41.600 41.600 40.635 0.965 25800 4075 1 9 . 1 1 15 15 LEU H H 15 7.150 7.150 7.373 -0.223 25800 4076 1 9 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.395 -0.325 25800 4077 1 9 . 1 1 16 16 PRO C C 16 171.500 171.500 177.059 -5.559 25800 4078 1 9 . 1 1 16 16 PRO CA C 16 62.500 62.500 63.179 -0.679 25800 4079 1 9 . 1 1 16 16 PRO CB C 16 32.000 32.000 31.407 0.594 25800 4080 1 9 . 1 1 17 17 SER N N 17 115.200 115.200 117.216 -2.016 25800 4081 1 9 . 1 1 17 17 SER HA H 17 4.300 4.300 4.073 0.227 25800 4082 1 9 . 1 1 17 17 SER C C 17 174.200 174.200 173.951 0.249 25800 4083 1 9 . 1 1 17 17 SER CA C 17 58.200 58.200 58.186 0.014 25800 4084 1 9 . 1 1 17 17 SER CB C 17 63.900 63.900 63.613 0.287 25800 4085 1 9 . 1 1 17 17 SER H H 17 8.470 8.470 8.581 -0.111 25800 4086 1 9 . 1 1 18 18 HIS N N 18 120.800 120.800 121.725 -0.925 25800 4087 1 9 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.571 -0.021 25800 4088 1 9 . 1 1 18 18 HIS C C 18 175.100 175.100 175.622 -0.522 25800 4089 1 9 . 1 1 18 18 HIS CA C 18 55.500 55.500 54.964 0.536 25800 4090 1 9 . 1 1 18 18 HIS CB C 18 29.300 29.300 29.385 -0.085 25800 4091 1 9 . 1 1 18 18 HIS H H 18 8.540 8.540 8.409 0.131 25800 4092 1 9 . 1 1 19 19 VAL N N 19 115.700 115.700 123.341 -7.641 25800 4093 1 9 . 1 1 19 19 VAL HA H 19 4.260 4.260 4.180 0.080 25800 4094 1 9 . 1 1 19 19 VAL C C 19 174.000 174.000 175.034 -1.034 25800 4095 1 9 . 1 1 19 19 VAL CA C 19 61.900 61.900 62.620 -0.720 25800 4096 1 9 . 1 1 19 19 VAL CB C 19 32.600 32.600 32.749 -0.150 25800 4097 1 9 . 1 1 19 19 VAL H H 19 6.650 6.650 7.711 -1.061 25800 4098 1 9 . 1 1 20 20 SER N N 20 118.800 118.800 120.299 -1.499 25800 4099 1 9 . 1 1 20 20 SER HA H 20 4.710 4.710 4.603 0.107 25800 4100 1 9 . 1 1 20 20 SER C C 20 175.900 175.900 175.586 0.314 25800 4101 1 9 . 1 1 20 20 SER CA C 20 55.800 55.800 57.314 -1.514 25800 4102 1 9 . 1 1 20 20 SER CB C 20 66.600 66.600 64.517 2.083 25800 4103 1 9 . 1 1 20 20 SER H H 20 8.930 8.930 8.484 0.446 25800 4104 1 9 . 1 1 21 21 SER N N 21 117.100 117.100 122.004 -4.904 25800 4105 1 9 . 1 1 21 21 SER HA H 21 3.880 3.880 4.118 -0.238 25800 4106 1 9 . 1 1 21 21 SER C C 21 176.200 176.200 176.217 -0.017 25800 4107 1 9 . 1 1 21 21 SER CA C 21 62.300 62.300 62.163 0.137 25800 4108 1 9 . 1 1 21 21 SER CB C 21 66.800 66.800 62.939 3.861 25800 4109 1 9 . 1 1 21 21 SER H H 21 9.080 9.080 9.179 -0.099 25800 4110 1 9 . 1 1 22 22 ARG N N 22 121.200 121.200 120.145 1.055 25800 4111 1 9 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.202 -0.212 25800 4112 1 9 . 1 1 22 22 ARG C C 22 177.900 177.900 178.396 -0.496 25800 4113 1 9 . 1 1 22 22 ARG CA C 22 58.700 58.700 59.070 -0.370 25800 4114 1 9 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.741 -0.141 25800 4115 1 9 . 1 1 22 22 ARG H H 22 7.940 7.940 8.453 -0.513 25800 4116 1 9 . 1 1 23 23 ASP N N 23 118.800 118.800 120.848 -2.048 25800 4117 1 9 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.556 -0.166 25800 4118 1 9 . 1 1 23 23 ASP C C 23 179.200 179.200 178.529 0.671 25800 4119 1 9 . 1 1 23 23 ASP CA C 23 57.300 57.300 56.943 0.357 25800 4120 1 9 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.311 0.689 25800 4121 1 9 . 1 1 23 23 ASP H H 23 7.480 7.480 7.779 -0.299 25800 4122 1 9 . 1 1 24 24 VAL N N 24 119.500 119.500 120.642 -1.142 25800 4123 1 9 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.741 -0.371 25800 4124 1 9 . 1 1 24 24 VAL C C 24 177.500 177.500 177.593 -0.093 25800 4125 1 9 . 1 1 24 24 VAL CA C 24 66.900 66.900 67.057 -0.157 25800 4126 1 9 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.552 -0.152 25800 4127 1 9 . 1 1 24 24 VAL H H 24 7.450 7.450 8.123 -0.673 25800 4128 1 9 . 1 1 25 25 GLU N N 25 121.400 121.400 119.844 1.556 25800 4129 1 9 . 1 1 25 25 GLU HA H 25 3.570 3.570 4.002 -0.432 25800 4130 1 9 . 1 1 25 25 GLU C C 25 178.400 178.400 178.744 -0.344 25800 4131 1 9 . 1 1 25 25 GLU CA C 25 60.600 60.600 60.014 0.585 25800 4132 1 9 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.335 0.265 25800 4133 1 9 . 1 1 25 25 GLU H H 25 8.580 8.580 8.335 0.245 25800 4134 1 9 . 1 1 26 26 ASN N N 26 114.800 114.800 117.480 -2.680 25800 4135 1 9 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.530 -0.210 25800 4136 1 9 . 1 1 26 26 ASN C C 26 177.400 177.400 177.460 -0.060 25800 4137 1 9 . 1 1 26 26 ASN CA C 26 55.900 55.900 55.904 -0.004 25800 4138 1 9 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.678 -0.778 25800 4139 1 9 . 1 1 26 26 ASN H H 26 8.180 8.180 8.014 0.166 25800 4140 1 9 . 1 1 27 27 GLU N N 27 118.900 118.900 120.172 -1.272 25800 4141 1 9 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.126 0.014 25800 4142 1 9 . 1 1 27 27 GLU C C 27 176.400 176.400 178.898 -2.498 25800 4143 1 9 . 1 1 27 27 GLU CA C 27 57.400 57.400 58.987 -1.587 25800 4144 1 9 . 1 1 27 27 GLU CB C 27 29.400 29.400 30.054 -0.654 25800 4145 1 9 . 1 1 27 27 GLU H H 27 7.340 7.340 7.929 -0.589 25800 4146 1 9 . 1 1 28 28 PHE N N 28 114.100 114.100 119.367 -5.267 25800 4147 1 9 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.492 0.059 25800 4148 1 9 . 1 1 28 28 PHE C C 28 176.300 176.300 177.139 -0.839 25800 4149 1 9 . 1 1 28 28 PHE CA C 28 60.000 60.000 61.083 -1.083 25800 4150 1 9 . 1 1 28 28 PHE CB C 28 40.800 40.800 39.728 1.072 25800 4151 1 9 . 1 1 28 28 PHE H H 28 7.660 7.660 8.583 -0.923 25800 4152 1 9 . 1 1 29 29 ARG N N 29 121.700 121.700 118.435 3.265 25800 4153 1 9 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.693 -0.283 25800 4154 1 9 . 1 1 29 29 ARG C C 29 177.100 177.100 176.741 0.359 25800 4155 1 9 . 1 1 29 29 ARG CA C 29 58.200 58.200 56.375 1.825 25800 4156 1 9 . 1 1 29 29 ARG CB C 29 29.300 29.300 28.976 0.324 25800 4157 1 9 . 1 1 29 29 ARG H H 29 8.120 8.120 8.015 0.105 25800 4158 1 9 . 1 1 30 30 LYS N N 30 117.200 117.200 118.832 -1.632 25800 4159 1 9 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.041 -0.211 25800 4160 1 9 . 1 1 30 30 LYS C C 30 177.100 177.100 177.615 -0.515 25800 4161 1 9 . 1 1 30 30 LYS CA C 30 57.800 57.800 57.966 -0.166 25800 4162 1 9 . 1 1 30 30 LYS CB C 30 31.100 31.100 31.496 -0.396 25800 4163 1 9 . 1 1 30 30 LYS H H 30 7.630 7.630 7.977 -0.347 25800 4164 1 9 . 1 1 31 31 TYR N N 31 117.100 117.100 118.659 -1.559 25800 4165 1 9 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.608 -0.458 25800 4166 1 9 . 1 1 31 31 TYR C C 31 174.400 174.400 176.430 -2.030 25800 4167 1 9 . 1 1 31 31 TYR CA C 31 59.900 59.900 58.799 1.101 25800 4168 1 9 . 1 1 31 31 TYR CB C 31 37.900 37.900 39.910 -2.010 25800 4169 1 9 . 1 1 31 31 TYR H H 31 7.410 7.410 7.664 -0.254 25800 4170 1 9 . 1 1 32 32 GLY N N 32 104.100 104.100 105.489 -1.389 25800 4171 1 9 . 1 1 32 32 GLY C C 32 177.000 177.000 171.705 5.295 25800 4172 1 9 . 1 1 32 32 GLY CA C 32 44.500 44.500 45.353 -0.853 25800 4173 1 9 . 1 1 32 32 GLY H H 32 7.240 7.240 7.727 -0.487 25800 4174 1 9 . 1 1 33 33 ASN N N 33 115.300 115.300 118.406 -3.106 25800 4175 1 9 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.764 -0.324 25800 4176 1 9 . 1 1 33 33 ASN C C 33 175.500 175.500 174.013 1.487 25800 4177 1 9 . 1 1 33 33 ASN CA C 33 54.300 54.300 52.651 1.649 25800 4178 1 9 . 1 1 33 33 ASN CB C 33 38.400 38.400 40.003 -1.603 25800 4179 1 9 . 1 1 33 33 ASN H H 33 8.460 8.460 8.676 -0.216 25800 4180 1 9 . 1 1 34 34 ILE N N 34 126.700 126.700 123.618 3.082 25800 4181 1 9 . 1 1 34 34 ILE HA H 34 3.790 3.790 4.331 -0.541 25800 4182 1 9 . 1 1 34 34 ILE C C 34 175.600 175.600 175.146 0.454 25800 4183 1 9 . 1 1 34 34 ILE CA C 34 61.300 61.300 60.437 0.863 25800 4184 1 9 . 1 1 34 34 ILE CB C 34 40.000 40.000 38.954 1.046 25800 4185 1 9 . 1 1 34 34 ILE H H 34 8.050 8.050 8.147 -0.097 25800 4186 1 9 . 1 1 35 35 LEU N N 35 127.400 127.400 127.774 -0.374 25800 4187 1 9 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.489 -0.329 25800 4188 1 9 . 1 1 35 35 LEU C C 35 177.200 177.200 176.518 0.682 25800 4189 1 9 . 1 1 35 35 LEU CA C 35 55.500 55.500 55.605 -0.105 25800 4190 1 9 . 1 1 35 35 LEU CB C 35 42.700 42.700 42.632 0.068 25800 4191 1 9 . 1 1 35 35 LEU H H 35 8.780 8.780 8.986 -0.206 25800 4192 1 9 . 1 1 36 36 LYS N N 36 117.000 117.000 118.534 -1.534 25800 4193 1 9 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.626 -0.386 25800 4194 1 9 . 1 1 36 36 LYS C C 36 173.600 173.600 174.314 -0.714 25800 4195 1 9 . 1 1 36 36 LYS CA C 36 55.900 55.900 55.974 -0.074 25800 4196 1 9 . 1 1 36 36 LYS CB C 36 36.600 36.600 36.087 0.513 25800 4197 1 9 . 1 1 36 36 LYS H H 36 7.110 7.110 7.711 -0.601 25800 4198 1 9 . 1 1 37 37 CYS N N 37 125.400 125.400 121.085 4.315 25800 4199 1 9 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.660 -0.960 25800 4200 1 9 . 1 1 37 37 CYS C C 37 171.600 171.600 173.145 -1.545 25800 4201 1 9 . 1 1 37 37 CYS CA C 37 57.900 57.900 56.271 1.629 25800 4202 1 9 . 1 1 37 37 CYS CB C 37 27.100 27.100 31.508 -4.408 25800 4203 1 9 . 1 1 37 37 CYS H H 37 8.610 8.610 8.543 0.067 25800 4204 1 9 . 1 1 38 38 ASP N N 38 128.200 128.200 121.235 6.965 25800 4205 1 9 . 1 1 38 38 ASP HA H 38 4.950 4.950 5.074 -0.124 25800 4206 1 9 . 1 1 38 38 ASP C C 38 174.300 174.300 174.275 0.025 25800 4207 1 9 . 1 1 38 38 ASP CA C 38 53.200 53.200 54.599 -1.399 25800 4208 1 9 . 1 1 38 38 ASP CB C 38 44.300 44.300 45.800 -1.500 25800 4209 1 9 . 1 1 38 38 ASP H H 38 8.290 8.290 9.078 -0.788 25800 4210 1 9 . 1 1 39 39 VAL N N 39 123.500 123.500 120.863 2.637 25800 4211 1 9 . 1 1 39 39 VAL HA H 39 4.300 4.300 5.109 -0.809 25800 4212 1 9 . 1 1 39 39 VAL C C 39 175.000 175.000 175.044 -0.044 25800 4213 1 9 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.063 0.637 25800 4214 1 9 . 1 1 39 39 VAL CB C 39 33.100 33.100 35.126 -2.026 25800 4215 1 9 . 1 1 39 39 VAL H H 39 8.380 8.380 8.636 -0.256 25800 4216 1 9 . 1 1 40 40 LYS N N 40 129.100 129.100 124.483 4.617 25800 4217 1 9 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.937 -0.617 25800 4218 1 9 . 1 1 40 40 LYS C C 40 173.700 173.700 174.363 -0.663 25800 4219 1 9 . 1 1 40 40 LYS CA C 40 53.900 53.900 53.968 -0.068 25800 4220 1 9 . 1 1 40 40 LYS CB C 40 35.500 35.500 36.794 -1.294 25800 4221 1 9 . 1 1 40 40 LYS H H 40 8.680 8.680 9.508 -0.828 25800 4222 1 9 . 1 1 41 41 LYS N N 41 117.300 117.300 120.121 -2.821 25800 4223 1 9 . 1 1 41 41 LYS HA H 41 4.980 4.980 4.936 0.044 25800 4224 1 9 . 1 1 41 41 LYS C C 41 177.800 177.800 175.256 2.544 25800 4225 1 9 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.436 0.164 25800 4226 1 9 . 1 1 41 41 LYS CB C 41 35.000 35.000 35.258 -0.258 25800 4227 1 9 . 1 1 41 41 LYS H H 41 7.900 7.900 8.437 -0.537 25800 4228 1 9 . 1 1 42 42 THR N N 42 113.200 113.200 114.115 -0.915 25800 4229 1 9 . 1 1 42 42 THR HA H 42 4.680 4.680 4.812 -0.132 25800 4230 1 9 . 1 1 42 42 THR C C 42 176.900 176.900 176.192 0.708 25800 4231 1 9 . 1 1 42 42 THR CA C 42 60.200 60.200 59.930 0.270 25800 4232 1 9 . 1 1 42 42 THR CB C 42 71.600 71.600 70.152 1.448 25800 4233 1 9 . 1 1 42 42 THR H H 42 8.730 8.730 8.130 0.600 25800 4234 1 9 . 1 1 43 43 VAL N N 43 120.000 120.000 123.073 -3.073 25800 4235 1 9 . 1 1 43 43 VAL HA H 43 3.920 3.920 3.997 -0.077 25800 4236 1 9 . 1 1 43 43 VAL C C 43 177.000 177.000 176.217 0.783 25800 4237 1 9 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.299 0.401 25800 4238 1 9 . 1 1 43 43 VAL CB C 43 31.800 31.800 31.745 0.055 25800 4239 1 9 . 1 1 43 43 VAL H H 43 8.730 8.730 8.563 0.167 25800 4240 1 9 . 1 1 44 44 SER N N 44 113.400 113.400 116.765 -3.365 25800 4241 1 9 . 1 1 44 44 SER HA H 44 4.360 4.360 4.334 0.026 25800 4242 1 9 . 1 1 44 44 SER C C 44 174.800 174.800 175.279 -0.479 25800 4243 1 9 . 1 1 44 44 SER CA C 44 58.400 58.400 58.675 -0.275 25800 4244 1 9 . 1 1 44 44 SER CB C 44 63.500 63.500 63.407 0.093 25800 4245 1 9 . 1 1 44 44 SER H H 44 7.760 7.760 7.896 -0.136 25800 4246 1 9 . 1 1 45 45 GLY N N 45 110.200 110.200 109.181 1.019 25800 4247 1 9 . 1 1 45 45 GLY C C 45 173.500 173.500 174.351 -0.851 25800 4248 1 9 . 1 1 45 45 GLY CA C 45 45.300 45.300 44.831 0.469 25800 4249 1 9 . 1 1 45 45 GLY H H 45 7.820 7.820 7.765 0.055 25800 4250 1 9 . 1 1 46 46 ALA N N 46 123.900 123.900 122.051 1.849 25800 4251 1 9 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.239 0.151 25800 4252 1 9 . 1 1 46 46 ALA C C 46 176.100 176.100 175.256 0.844 25800 4253 1 9 . 1 1 46 46 ALA CA C 46 51.900 51.900 51.701 0.199 25800 4254 1 9 . 1 1 46 46 ALA CB C 46 19.800 19.800 20.248 -0.448 25800 4255 1 9 . 1 1 46 46 ALA H H 46 7.440 7.440 7.678 -0.238 25800 4256 1 9 . 1 1 47 47 ALA N N 47 123.100 123.100 121.934 1.166 25800 4257 1 9 . 1 1 47 47 ALA HA H 47 5.200 5.200 4.754 0.446 25800 4258 1 9 . 1 1 47 47 ALA C C 47 176.100 176.100 175.036 1.064 25800 4259 1 9 . 1 1 47 47 ALA CA C 47 50.900 50.900 49.922 0.978 25800 4260 1 9 . 1 1 47 47 ALA CB C 47 21.900 21.900 22.180 -0.280 25800 4261 1 9 . 1 1 47 47 ALA H H 47 8.350 8.350 8.098 0.252 25800 4262 1 9 . 1 1 48 48 PHE N N 48 118.700 118.700 116.782 1.918 25800 4263 1 9 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.499 -0.469 25800 4264 1 9 . 1 1 48 48 PHE C C 48 171.600 171.600 173.988 -2.388 25800 4265 1 9 . 1 1 48 48 PHE CA C 48 55.700 55.700 55.890 -0.190 25800 4266 1 9 . 1 1 48 48 PHE CB C 48 41.200 41.200 43.610 -2.410 25800 4267 1 9 . 1 1 48 48 PHE H H 48 8.550 8.550 8.702 -0.152 25800 4268 1 9 . 1 1 49 49 ALA N N 49 120.400 120.400 122.558 -2.158 25800 4269 1 9 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.230 0.100 25800 4270 1 9 . 1 1 49 49 ALA C C 49 175.500 175.500 174.801 0.699 25800 4271 1 9 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.265 -0.965 25800 4272 1 9 . 1 1 49 49 ALA CB C 49 23.700 23.700 22.440 1.260 25800 4273 1 9 . 1 1 49 49 ALA H H 49 9.240 9.240 8.640 0.600 25800 4274 1 9 . 1 1 50 50 PHE N N 50 115.000 115.000 119.185 -4.185 25800 4275 1 9 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.302 0.298 25800 4276 1 9 . 1 1 50 50 PHE C C 50 176.000 176.000 174.192 1.808 25800 4277 1 9 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.621 -0.121 25800 4278 1 9 . 1 1 50 50 PHE CB C 50 42.200 42.200 42.982 -0.782 25800 4279 1 9 . 1 1 50 50 PHE H H 50 7.920 7.920 9.146 -1.226 25800 4280 1 9 . 1 1 51 51 ILE N N 51 123.000 123.000 121.669 1.331 25800 4281 1 9 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.639 -0.189 25800 4282 1 9 . 1 1 51 51 ILE C C 51 173.700 173.700 174.432 -0.732 25800 4283 1 9 . 1 1 51 51 ILE CA C 51 60.200 60.200 61.015 -0.815 25800 4284 1 9 . 1 1 51 51 ILE CB C 51 40.700 40.700 41.990 -1.290 25800 4285 1 9 . 1 1 51 51 ILE H H 51 8.490 8.490 8.477 0.013 25800 4286 1 9 . 1 1 52 52 GLU N N 52 126.600 126.600 127.384 -0.784 25800 4287 1 9 . 1 1 52 52 GLU HA H 52 4.770 4.770 5.124 -0.354 25800 4288 1 9 . 1 1 52 52 GLU C C 52 175.300 175.300 175.320 -0.020 25800 4289 1 9 . 1 1 52 52 GLU CA C 52 54.700 54.700 54.968 -0.268 25800 4290 1 9 . 1 1 52 52 GLU CB C 52 31.500 31.500 31.473 0.027 25800 4291 1 9 . 1 1 52 52 GLU H H 52 8.610 8.610 9.281 -0.671 25800 4292 1 9 . 1 1 53 53 PHE N N 53 126.100 126.100 126.900 -0.800 25800 4293 1 9 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.945 -0.145 25800 4294 1 9 . 1 1 53 53 PHE C C 53 175.400 175.400 176.448 -1.048 25800 4295 1 9 . 1 1 53 53 PHE CA C 53 58.200 58.200 57.036 1.164 25800 4296 1 9 . 1 1 53 53 PHE CB C 53 40.900 40.900 41.529 -0.628 25800 4297 1 9 . 1 1 53 53 PHE H H 53 8.800 8.800 9.049 -0.249 25800 4298 1 9 . 1 1 54 54 GLU N N 54 120.700 120.700 121.397 -0.697 25800 4299 1 9 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.120 -0.190 25800 4300 1 9 . 1 1 54 54 GLU C C 54 175.300 175.300 175.998 -0.698 25800 4301 1 9 . 1 1 54 54 GLU CA C 54 59.100 59.100 57.959 1.141 25800 4302 1 9 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.065 0.735 25800 4303 1 9 . 1 1 54 54 GLU H H 54 8.160 8.160 8.433 -0.273 25800 4304 1 9 . 1 1 55 55 ASP N N 55 117.900 117.900 115.255 2.645 25800 4305 1 9 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.730 0.190 25800 4306 1 9 . 1 1 55 55 ASP C C 55 176.400 176.400 175.067 1.333 25800 4307 1 9 . 1 1 55 55 ASP CA C 55 52.400 52.400 52.759 -0.359 25800 4308 1 9 . 1 1 55 55 ASP CB C 55 44.400 44.400 42.677 1.723 25800 4309 1 9 . 1 1 55 55 ASP H H 55 8.740 8.740 7.593 1.147 25800 4310 1 9 . 1 1 56 56 ALA N N 56 128.900 128.900 124.003 4.897 25800 4311 1 9 . 1 1 56 56 ALA HA H 56 3.830 3.830 3.397 0.433 25800 4312 1 9 . 1 1 56 56 ALA C C 56 179.800 179.800 178.584 1.216 25800 4313 1 9 . 1 1 56 56 ALA CA C 56 55.200 55.200 54.139 1.061 25800 4314 1 9 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.797 0.102 25800 4315 1 9 . 1 1 56 56 ALA H H 56 8.800 8.800 8.541 0.259 25800 4316 1 9 . 1 1 57 57 ARG N N 57 119.200 119.200 118.035 1.165 25800 4317 1 9 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.046 -0.156 25800 4318 1 9 . 1 1 57 57 ARG C C 57 178.000 178.000 176.815 1.185 25800 4319 1 9 . 1 1 57 57 ARG CA C 57 58.900 58.900 58.630 0.270 25800 4320 1 9 . 1 1 57 57 ARG CB C 57 29.300 29.300 29.111 0.189 25800 4321 1 9 . 1 1 57 57 ARG H H 57 8.950 8.950 8.496 0.454 25800 4322 1 9 . 1 1 58 58 ASP N N 58 120.900 120.900 120.034 0.866 25800 4323 1 9 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.486 -0.396 25800 4324 1 9 . 1 1 58 58 ASP C C 58 176.700 176.700 178.050 -1.350 25800 4325 1 9 . 1 1 58 58 ASP CA C 58 56.500 56.500 57.828 -1.328 25800 4326 1 9 . 1 1 58 58 ASP CB C 58 39.900 39.900 40.614 -0.714 25800 4327 1 9 . 1 1 58 58 ASP H H 58 7.020 7.020 8.276 -1.256 25800 4328 1 9 . 1 1 59 59 ALA N N 59 119.700 119.700 121.796 -2.096 25800 4329 1 9 . 1 1 59 59 ALA HA H 59 3.080 3.080 4.107 -1.027 25800 4330 1 9 . 1 1 59 59 ALA C C 59 178.100 178.100 178.626 -0.526 25800 4331 1 9 . 1 1 59 59 ALA CA C 59 54.300 54.300 54.083 0.217 25800 4332 1 9 . 1 1 59 59 ALA CB C 59 18.400 18.400 18.371 0.029 25800 4333 1 9 . 1 1 59 59 ALA H H 59 6.440 6.440 7.625 -1.185 25800 4334 1 9 . 1 1 60 60 ALA N N 60 117.600 117.600 120.889 -3.289 25800 4335 1 9 . 1 1 60 60 ALA HA H 60 3.830 3.830 4.072 -0.242 25800 4336 1 9 . 1 1 60 60 ALA C C 60 180.900 180.900 178.924 1.976 25800 4337 1 9 . 1 1 60 60 ALA CA C 60 54.900 54.900 55.083 -0.183 25800 4338 1 9 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.405 -0.705 25800 4339 1 9 . 1 1 60 60 ALA H H 60 7.330 7.330 8.289 -0.959 25800 4340 1 9 . 1 1 61 61 ASP N N 61 120.100 120.100 117.637 2.463 25800 4341 1 9 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.333 -0.123 25800 4342 1 9 . 1 1 61 61 ASP C C 61 176.700 176.700 177.420 -0.720 25800 4343 1 9 . 1 1 61 61 ASP CA C 61 57.100 57.100 56.414 0.686 25800 4344 1 9 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.022 0.078 25800 4345 1 9 . 1 1 61 61 ASP H H 61 7.590 7.590 7.655 -0.065 25800 4346 1 9 . 1 1 62 62 ALA N N 62 122.200 122.200 122.763 -0.563 25800 4347 1 9 . 1 1 62 62 ALA HA H 62 2.420 2.420 4.361 -1.941 25800 4348 1 9 . 1 1 62 62 ALA C C 62 179.300 179.300 179.165 0.135 25800 4349 1 9 . 1 1 62 62 ALA CA C 62 54.600 54.600 54.251 0.349 25800 4350 1 9 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.830 0.270 25800 4351 1 9 . 1 1 62 62 ALA H H 62 7.440 7.440 7.200 0.240 25800 4352 1 9 . 1 1 63 63 ILE N N 63 116.700 116.700 118.617 -1.917 25800 4353 1 9 . 1 1 63 63 ILE HA H 63 3.240 3.240 3.751 -0.511 25800 4354 1 9 . 1 1 63 63 ILE C C 63 177.800 177.800 176.895 0.905 25800 4355 1 9 . 1 1 63 63 ILE CA C 63 65.600 65.600 63.650 1.950 25800 4356 1 9 . 1 1 63 63 ILE CB C 63 38.900 38.900 37.970 0.930 25800 4357 1 9 . 1 1 63 63 ILE H H 63 7.540 7.540 7.638 -0.098 25800 4358 1 9 . 1 1 64 64 LYS N N 64 117.400 117.400 117.320 0.080 25800 4359 1 9 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.070 -0.170 25800 4360 1 9 . 1 1 64 64 LYS C C 64 178.900 178.900 177.968 0.932 25800 4361 1 9 . 1 1 64 64 LYS CA C 64 58.800 58.800 58.290 0.510 25800 4362 1 9 . 1 1 64 64 LYS CB C 64 32.600 32.600 31.750 0.850 25800 4363 1 9 . 1 1 64 64 LYS H H 64 7.490 7.490 7.494 -0.004 25800 4364 1 9 . 1 1 65 65 GLU N N 65 113.800 113.800 116.281 -2.481 25800 4365 1 9 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.244 -0.084 25800 4366 1 9 . 1 1 65 65 GLU C C 65 178.300 178.300 177.231 1.069 25800 4367 1 9 . 1 1 65 65 GLU CA C 65 58.300 58.300 58.044 0.256 25800 4368 1 9 . 1 1 65 65 GLU CB C 65 30.700 30.700 29.044 1.656 25800 4369 1 9 . 1 1 65 65 GLU H H 65 7.960 7.960 8.083 -0.123 25800 4370 1 9 . 1 1 66 66 LYS N N 66 114.700 114.700 118.702 -4.002 25800 4371 1 9 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.343 0.127 25800 4372 1 9 . 1 1 66 66 LYS C C 66 177.500 177.500 176.651 0.849 25800 4373 1 9 . 1 1 66 66 LYS CA C 66 54.400 54.400 55.640 -1.240 25800 4374 1 9 . 1 1 66 66 LYS CB C 66 33.000 33.000 32.341 0.659 25800 4375 1 9 . 1 1 66 66 LYS H H 66 8.050 8.050 7.483 0.567 25800 4376 1 9 . 1 1 67 67 ASP N N 67 118.800 118.800 119.859 -1.059 25800 4377 1 9 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.457 -0.237 25800 4378 1 9 . 1 1 67 67 ASP C C 67 177.700 177.700 177.296 0.404 25800 4379 1 9 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.439 3.961 25800 4380 1 9 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.163 0.237 25800 4381 1 9 . 1 1 67 67 ASP H H 67 7.620 7.620 7.495 0.125 25800 4382 1 9 . 1 1 68 68 GLY N N 68 115.600 115.600 107.907 7.693 25800 4383 1 9 . 1 1 68 68 GLY C C 68 173.800 173.800 174.386 -0.586 25800 4384 1 9 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.556 1.344 25800 4385 1 9 . 1 1 68 68 GLY H H 68 8.470 8.470 8.580 -0.110 25800 4386 1 9 . 1 1 69 69 CYS N N 69 119.200 119.200 120.506 -1.306 25800 4387 1 9 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.530 -0.370 25800 4388 1 9 . 1 1 69 69 CYS C C 69 172.600 172.600 173.468 -0.868 25800 4389 1 9 . 1 1 69 69 CYS CA C 69 58.000 58.000 57.611 0.389 25800 4390 1 9 . 1 1 69 69 CYS CB C 69 28.700 28.700 28.960 -0.260 25800 4391 1 9 . 1 1 69 69 CYS H H 69 7.890 7.890 8.146 -0.256 25800 4392 1 9 . 1 1 70 70 ASP N N 70 122.200 122.200 123.464 -1.264 25800 4393 1 9 . 1 1 70 70 ASP HA H 70 4.830 4.830 4.664 0.166 25800 4394 1 9 . 1 1 70 70 ASP C C 70 176.400 176.400 174.694 1.706 25800 4395 1 9 . 1 1 70 70 ASP CA C 70 54.700 54.700 53.342 1.358 25800 4396 1 9 . 1 1 70 70 ASP CB C 70 42.700 42.700 44.127 -1.427 25800 4397 1 9 . 1 1 70 70 ASP H H 70 8.360 8.360 8.475 -0.115 25800 4398 1 9 . 1 1 71 71 PHE N N 71 127.600 127.600 117.922 9.678 25800 4399 1 9 . 1 1 71 71 PHE HA H 71 4.600 4.600 5.022 -0.422 25800 4400 1 9 . 1 1 71 71 PHE C C 71 173.600 173.600 175.173 -1.573 25800 4401 1 9 . 1 1 71 71 PHE CA C 71 56.800 56.800 57.009 -0.209 25800 4402 1 9 . 1 1 71 71 PHE CB C 71 40.700 40.700 41.144 -0.444 25800 4403 1 9 . 1 1 71 71 PHE H H 71 9.390 9.390 7.501 1.889 25800 4404 1 9 . 1 1 72 72 GLU N N 72 123.900 123.900 118.728 5.172 25800 4405 1 9 . 1 1 72 72 GLU HA H 72 3.540 3.540 4.171 -0.631 25800 4406 1 9 . 1 1 72 72 GLU C C 72 175.500 175.500 175.695 -0.195 25800 4407 1 9 . 1 1 72 72 GLU CA C 72 56.700 56.700 57.079 -0.379 25800 4408 1 9 . 1 1 72 72 GLU CB C 72 27.300 27.300 28.843 -1.543 25800 4409 1 9 . 1 1 72 72 GLU H H 72 8.940 8.940 9.160 -0.220 25800 4410 1 9 . 1 1 73 73 GLY N N 73 105.200 105.200 105.717 -0.517 25800 4411 1 9 . 1 1 73 73 GLY C C 73 174.100 174.100 174.533 -0.433 25800 4412 1 9 . 1 1 73 73 GLY CA C 73 45.600 45.600 45.162 0.438 25800 4413 1 9 . 1 1 73 73 GLY H H 73 8.350 8.350 8.053 0.297 25800 4414 1 9 . 1 1 74 74 ASN N N 74 121.000 121.000 121.474 -0.474 25800 4415 1 9 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.747 0.013 25800 4416 1 9 . 1 1 74 74 ASN C C 74 174.000 174.000 173.997 0.003 25800 4417 1 9 . 1 1 74 74 ASN CA C 74 50.900 50.900 53.438 -2.538 25800 4418 1 9 . 1 1 74 74 ASN CB C 74 39.700 39.700 39.263 0.437 25800 4419 1 9 . 1 1 74 74 ASN H H 74 7.740 7.740 8.492 -0.752 25800 4420 1 9 . 1 1 75 75 LYS N N 75 121.400 121.400 119.748 1.652 25800 4421 1 9 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.755 -0.285 25800 4422 1 9 . 1 1 75 75 LYS C C 75 176.900 176.900 175.021 1.879 25800 4423 1 9 . 1 1 75 75 LYS CA C 75 55.300 55.300 56.204 -0.904 25800 4424 1 9 . 1 1 75 75 LYS CB C 75 31.900 31.900 33.959 -2.059 25800 4425 1 9 . 1 1 75 75 LYS H H 75 8.380 8.380 8.289 0.091 25800 4426 1 9 . 1 1 76 76 LEU N N 76 127.400 127.400 125.024 2.376 25800 4427 1 9 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.576 -0.146 25800 4428 1 9 . 1 1 76 76 LEU C C 76 177.600 177.600 174.265 3.335 25800 4429 1 9 . 1 1 76 76 LEU CA C 76 55.300 55.300 55.121 0.179 25800 4430 1 9 . 1 1 76 76 LEU CB C 76 43.100 43.100 47.158 -4.058 25800 4431 1 9 . 1 1 76 76 LEU H H 76 8.950 8.950 8.448 0.502 25800 4432 1 9 . 1 1 77 77 ARG N N 77 121.800 121.800 123.238 -1.438 25800 4433 1 9 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.848 0.052 25800 4434 1 9 . 1 1 77 77 ARG C C 77 174.700 174.700 173.414 1.286 25800 4435 1 9 . 1 1 77 77 ARG CA C 77 54.000 54.000 55.777 -1.777 25800 4436 1 9 . 1 1 77 77 ARG CB C 77 32.300 32.300 33.861 -1.560 25800 4437 1 9 . 1 1 77 77 ARG H H 77 7.530 7.530 8.746 -1.216 25800 4438 1 9 . 1 1 78 78 VAL N N 78 127.000 127.000 121.224 5.776 25800 4439 1 9 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.303 0.977 25800 4440 1 9 . 1 1 78 78 VAL C C 78 174.200 174.200 174.169 0.031 25800 4441 1 9 . 1 1 78 78 VAL CA C 78 61.200 61.200 60.916 0.284 25800 4442 1 9 . 1 1 78 78 VAL CB C 78 33.400 33.400 33.848 -0.448 25800 4443 1 9 . 1 1 78 78 VAL H H 78 9.660 9.660 8.483 1.177 25800 4444 1 9 . 1 1 79 79 GLU N N 79 121.900 121.900 126.397 -4.497 25800 4445 1 9 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.534 0.176 25800 4446 1 9 . 1 1 79 79 GLU C C 79 174.600 174.600 173.814 0.786 25800 4447 1 9 . 1 1 79 79 GLU CA C 79 53.900 53.900 56.069 -2.169 25800 4448 1 9 . 1 1 79 79 GLU CB C 79 34.400 34.400 33.785 0.615 25800 4449 1 9 . 1 1 79 79 GLU H H 79 8.980 8.980 7.919 1.061 25800 4450 1 9 . 1 1 80 80 VAL N N 80 121.300 121.300 123.794 -2.494 25800 4451 1 9 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.407 -0.037 25800 4452 1 9 . 1 1 80 80 VAL CA C 80 61.000 61.000 57.942 3.058 25800 4453 1 9 . 1 1 80 80 VAL CB C 80 32.100 32.100 34.526 -2.426 25800 4454 1 9 . 1 1 80 80 VAL H H 80 8.410 8.410 9.062 -0.652 25800 4455 1 9 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.646 -0.386 25800 4456 1 9 . 1 1 81 81 PRO C C 81 176.100 176.100 175.939 0.161 25800 4457 1 9 . 1 1 81 81 PRO CA C 81 63.100 63.100 62.725 0.375 25800 4458 1 9 . 1 1 81 81 PRO CB C 81 32.100 32.100 29.867 2.233 25800 4459 1 9 . 1 1 82 82 PHE N N 82 122.200 122.200 120.122 2.078 25800 4460 1 9 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.418 -0.128 25800 4461 1 9 . 1 1 82 82 PHE C C 82 175.300 175.300 176.432 -1.132 25800 4462 1 9 . 1 1 82 82 PHE CA C 82 58.100 58.100 56.636 1.464 25800 4463 1 9 . 1 1 82 82 PHE CB C 82 39.400 39.400 38.569 0.831 25800 4464 1 9 . 1 1 82 82 PHE H H 82 8.150 8.150 7.818 0.332 25800 4465 1 9 . 1 1 83 83 ASN N N 83 120.800 120.800 115.620 5.180 25800 4466 1 9 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.350 0.090 25800 4467 1 9 . 1 1 83 83 ASN C C 83 174.100 174.100 174.396 -0.296 25800 4468 1 9 . 1 1 83 83 ASN CA C 83 52.700 52.700 54.151 -1.451 25800 4469 1 9 . 1 1 83 83 ASN CB C 83 38.700 38.700 38.151 0.549 25800 4470 1 9 . 1 1 83 83 ASN H H 83 8.110 8.110 8.544 -0.434 25800 4471 1 9 . 1 1 84 84 ALA N N 84 123.700 123.700 118.582 5.118 25800 4472 1 9 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.491 -0.411 25800 4473 1 9 . 1 1 84 84 ALA C C 84 177.100 177.100 176.967 0.133 25800 4474 1 9 . 1 1 84 84 ALA CA C 84 52.400 52.400 52.883 -0.483 25800 4475 1 9 . 1 1 84 84 ALA CB C 84 19.100 19.100 20.090 -0.990 25800 4476 1 9 . 1 1 84 84 ALA H H 84 8.020 8.020 8.572 -0.552 25800 4477 1 9 . 1 1 85 85 ARG N N 85 120.200 120.200 118.875 1.325 25800 4478 1 9 . 1 1 85 85 ARG HA H 85 4.150 4.150 4.523 -0.373 25800 4479 1 9 . 1 1 85 85 ARG C C 85 175.200 175.200 176.538 -1.338 25800 4480 1 9 . 1 1 85 85 ARG CA C 85 56.000 56.000 55.771 0.229 25800 4481 1 9 . 1 1 85 85 ARG CB C 85 30.800 30.800 30.848 -0.048 25800 4482 1 9 . 1 1 85 85 ARG H H 85 8.040 8.040 8.492 -0.452 25800 4483 1 10 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.758 -0.168 25800 4484 1 10 . 1 1 0 0 HIS C C 0 174.000 174.000 174.053 -0.053 25800 4485 1 10 . 1 1 0 0 HIS CA C 0 55.300 55.300 56.072 -0.772 25800 4486 1 10 . 1 1 0 0 HIS CB C 0 29.300 29.300 30.092 -0.792 25800 4487 1 10 . 1 1 1 1 MET N N 1 122.400 122.400 121.958 0.442 25800 4488 1 10 . 1 1 1 1 MET HA H 1 4.340 4.340 4.543 -0.203 25800 4489 1 10 . 1 1 1 1 MET C C 1 175.600 175.600 176.530 -0.930 25800 4490 1 10 . 1 1 1 1 MET CA C 1 55.600 55.600 55.282 0.318 25800 4491 1 10 . 1 1 1 1 MET CB C 1 32.800 32.800 33.752 -0.952 25800 4492 1 10 . 1 1 1 1 MET H H 1 8.310 8.310 7.586 0.724 25800 4493 1 10 . 1 1 2 2 VAL N N 2 123.200 123.200 125.487 -2.287 25800 4494 1 10 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.060 -0.100 25800 4495 1 10 . 1 1 2 2 VAL C C 2 175.600 175.600 174.982 0.618 25800 4496 1 10 . 1 1 2 2 VAL CA C 2 62.300 62.300 63.040 -0.740 25800 4497 1 10 . 1 1 2 2 VAL CB C 2 32.300 32.300 30.085 2.215 25800 4498 1 10 . 1 1 2 2 VAL H H 2 8.180 8.180 8.451 -0.271 25800 4499 1 10 . 1 1 3 3 ILE N N 3 126.200 126.200 123.940 2.260 25800 4500 1 10 . 1 1 3 3 ILE HA H 3 4.050 4.050 4.371 -0.321 25800 4501 1 10 . 1 1 3 3 ILE C C 3 175.800 175.800 176.528 -0.728 25800 4502 1 10 . 1 1 3 3 ILE CA C 3 60.700 60.700 60.099 0.601 25800 4503 1 10 . 1 1 3 3 ILE CB C 3 38.300 38.300 39.327 -1.026 25800 4504 1 10 . 1 1 3 3 ILE H H 3 8.230 8.230 8.081 0.149 25800 4505 1 10 . 1 1 4 4 ARG N N 4 126.100 126.100 129.241 -3.141 25800 4506 1 10 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.114 0.066 25800 4507 1 10 . 1 1 4 4 ARG C C 4 175.900 175.900 176.674 -0.774 25800 4508 1 10 . 1 1 4 4 ARG CA C 4 56.000 56.000 58.410 -2.410 25800 4509 1 10 . 1 1 4 4 ARG CB C 4 30.700 30.700 30.463 0.237 25800 4510 1 10 . 1 1 4 4 ARG H H 4 8.360 8.360 8.847 -0.487 25800 4511 1 10 . 1 1 5 5 GLU N N 5 122.200 122.200 118.083 4.117 25800 4512 1 10 . 1 1 5 5 GLU HA H 5 4.140 4.140 4.338 -0.198 25800 4513 1 10 . 1 1 5 5 GLU C C 5 176.100 176.100 175.921 0.179 25800 4514 1 10 . 1 1 5 5 GLU CA C 5 56.600 56.600 55.578 1.022 25800 4515 1 10 . 1 1 5 5 GLU CB C 5 30.300 30.300 29.333 0.967 25800 4516 1 10 . 1 1 5 5 GLU H H 5 8.400 8.400 8.306 0.094 25800 4517 1 10 . 1 1 6 6 SER N N 6 116.200 116.200 114.481 1.719 25800 4518 1 10 . 1 1 6 6 SER HA H 6 4.350 4.350 3.965 0.385 25800 4519 1 10 . 1 1 6 6 SER C C 6 174.300 174.300 172.720 1.580 25800 4520 1 10 . 1 1 6 6 SER CA C 6 58.200 58.200 58.776 -0.576 25800 4521 1 10 . 1 1 6 6 SER CB C 6 63.800 63.800 63.433 0.367 25800 4522 1 10 . 1 1 6 6 SER H H 6 8.270 8.270 7.671 0.599 25800 4523 1 10 . 1 1 7 7 VAL N N 7 119.800 119.800 120.421 -0.621 25800 4524 1 10 . 1 1 7 7 VAL HA H 7 4.300 4.300 4.359 -0.059 25800 4525 1 10 . 1 1 7 7 VAL C C 7 175.500 175.500 174.497 1.003 25800 4526 1 10 . 1 1 7 7 VAL CA C 7 61.700 61.700 61.470 0.230 25800 4527 1 10 . 1 1 7 7 VAL CB C 7 32.800 32.800 35.050 -2.250 25800 4528 1 10 . 1 1 7 7 VAL H H 7 7.840 7.840 8.145 -0.305 25800 4529 1 10 . 1 1 8 8 SER N N 8 117.800 117.800 122.879 -5.079 25800 4530 1 10 . 1 1 8 8 SER HA H 8 4.240 4.240 4.746 -0.506 25800 4531 1 10 . 1 1 8 8 SER C C 8 172.500 172.500 173.205 -0.705 25800 4532 1 10 . 1 1 8 8 SER CA C 8 58.500 58.500 58.094 0.406 25800 4533 1 10 . 1 1 8 8 SER CB C 8 63.600 63.600 63.093 0.507 25800 4534 1 10 . 1 1 8 8 SER H H 8 8.530 8.530 8.731 -0.201 25800 4535 1 10 . 1 1 9 9 ARG N N 9 123.000 123.000 124.737 -1.737 25800 4536 1 10 . 1 1 9 9 ARG HA H 9 5.500 5.500 5.182 0.318 25800 4537 1 10 . 1 1 9 9 ARG C C 9 175.000 175.000 174.828 0.172 25800 4538 1 10 . 1 1 9 9 ARG CA C 9 54.300 54.300 54.959 -0.659 25800 4539 1 10 . 1 1 9 9 ARG CB C 9 33.400 33.400 33.092 0.308 25800 4540 1 10 . 1 1 9 9 ARG H H 9 7.350 7.350 8.639 -1.289 25800 4541 1 10 . 1 1 10 10 ILE N N 10 114.000 114.000 121.968 -7.968 25800 4542 1 10 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.186 0.634 25800 4543 1 10 . 1 1 10 10 ILE C C 10 173.000 173.000 174.241 -1.241 25800 4544 1 10 . 1 1 10 10 ILE CA C 10 59.400 59.400 61.307 -1.907 25800 4545 1 10 . 1 1 10 10 ILE CB C 10 40.900 40.900 39.349 1.551 25800 4546 1 10 . 1 1 10 10 ILE H H 10 8.830 8.830 8.703 0.127 25800 4547 1 10 . 1 1 11 11 TYR N N 11 123.400 123.400 128.331 -4.931 25800 4548 1 10 . 1 1 11 11 TYR HA H 11 4.930 4.930 5.010 -0.080 25800 4549 1 10 . 1 1 11 11 TYR C C 11 173.000 173.000 173.315 -0.315 25800 4550 1 10 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.566 0.434 25800 4551 1 10 . 1 1 11 11 TYR CB C 11 40.900 40.900 41.392 -0.492 25800 4552 1 10 . 1 1 11 11 TYR H H 11 8.690 8.690 7.978 0.712 25800 4553 1 10 . 1 1 12 12 VAL N N 12 126.300 126.300 121.878 4.422 25800 4554 1 10 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.471 0.089 25800 4555 1 10 . 1 1 12 12 VAL C C 12 174.100 174.100 173.462 0.638 25800 4556 1 10 . 1 1 12 12 VAL CA C 12 60.200 60.200 58.976 1.224 25800 4557 1 10 . 1 1 12 12 VAL CB C 12 33.400 33.400 35.095 -1.695 25800 4558 1 10 . 1 1 12 12 VAL H H 12 8.370 8.370 8.086 0.284 25800 4559 1 10 . 1 1 13 13 GLY N N 13 113.000 113.000 109.426 3.574 25800 4560 1 10 . 1 1 13 13 GLY C C 13 173.100 173.100 173.267 -0.167 25800 4561 1 10 . 1 1 13 13 GLY CA C 13 43.300 43.300 43.630 -0.330 25800 4562 1 10 . 1 1 13 13 GLY H H 13 9.350 9.350 8.473 0.877 25800 4563 1 10 . 1 1 14 14 ASN N N 14 113.900 113.900 114.925 -1.025 25800 4564 1 10 . 1 1 14 14 ASN HA H 14 4.280 4.280 4.217 0.063 25800 4565 1 10 . 1 1 14 14 ASN C C 14 175.800 175.800 175.335 0.465 25800 4566 1 10 . 1 1 14 14 ASN CA C 14 53.600 53.600 54.292 -0.692 25800 4567 1 10 . 1 1 14 14 ASN CB C 14 37.700 37.700 36.942 0.758 25800 4568 1 10 . 1 1 14 14 ASN H H 14 8.800 8.800 8.163 0.637 25800 4569 1 10 . 1 1 15 15 LEU N N 15 115.800 115.800 116.139 -0.339 25800 4570 1 10 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.660 0.330 25800 4571 1 10 . 1 1 15 15 LEU CA C 15 55.600 55.600 53.208 2.392 25800 4572 1 10 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.693 -0.093 25800 4573 1 10 . 1 1 15 15 LEU H H 15 7.150 7.150 7.189 -0.039 25800 4574 1 10 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.463 -0.393 25800 4575 1 10 . 1 1 16 16 PRO C C 16 171.500 171.500 176.596 -5.096 25800 4576 1 10 . 1 1 16 16 PRO CA C 16 62.500 62.500 63.291 -0.791 25800 4577 1 10 . 1 1 16 16 PRO CB C 16 32.000 32.000 31.393 0.607 25800 4578 1 10 . 1 1 17 17 SER N N 17 115.200 115.200 116.920 -1.720 25800 4579 1 10 . 1 1 17 17 SER HA H 17 4.300 4.300 4.082 0.218 25800 4580 1 10 . 1 1 17 17 SER C C 17 174.200 174.200 173.540 0.660 25800 4581 1 10 . 1 1 17 17 SER CA C 17 58.200 58.200 59.983 -1.783 25800 4582 1 10 . 1 1 17 17 SER CB C 17 63.900 63.900 62.489 1.411 25800 4583 1 10 . 1 1 17 17 SER H H 17 8.470 8.470 8.551 -0.081 25800 4584 1 10 . 1 1 18 18 HIS N N 18 120.800 120.800 119.689 1.111 25800 4585 1 10 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.763 -0.213 25800 4586 1 10 . 1 1 18 18 HIS C C 18 175.100 175.100 173.321 1.779 25800 4587 1 10 . 1 1 18 18 HIS CA C 18 55.500 55.500 55.043 0.457 25800 4588 1 10 . 1 1 18 18 HIS CB C 18 29.300 29.300 31.470 -2.170 25800 4589 1 10 . 1 1 18 18 HIS H H 18 8.540 8.540 8.009 0.531 25800 4590 1 10 . 1 1 19 19 VAL N N 19 115.700 115.700 120.368 -4.668 25800 4591 1 10 . 1 1 19 19 VAL HA H 19 4.260 4.260 4.307 -0.047 25800 4592 1 10 . 1 1 19 19 VAL C C 19 174.000 174.000 175.991 -1.991 25800 4593 1 10 . 1 1 19 19 VAL CA C 19 61.900 61.900 61.367 0.533 25800 4594 1 10 . 1 1 19 19 VAL CB C 19 32.600 32.600 33.448 -0.848 25800 4595 1 10 . 1 1 19 19 VAL H H 19 6.650 6.650 8.246 -1.596 25800 4596 1 10 . 1 1 20 20 SER N N 20 118.800 118.800 120.976 -2.176 25800 4597 1 10 . 1 1 20 20 SER HA H 20 4.710 4.710 4.677 0.033 25800 4598 1 10 . 1 1 20 20 SER C C 20 175.900 175.900 175.488 0.412 25800 4599 1 10 . 1 1 20 20 SER CA C 20 55.800 55.800 57.854 -2.054 25800 4600 1 10 . 1 1 20 20 SER CB C 20 66.600 66.600 65.474 1.127 25800 4601 1 10 . 1 1 20 20 SER H H 20 8.930 8.930 8.719 0.211 25800 4602 1 10 . 1 1 21 21 SER N N 21 117.100 117.100 117.747 -0.647 25800 4603 1 10 . 1 1 21 21 SER HA H 21 3.880 3.880 4.225 -0.345 25800 4604 1 10 . 1 1 21 21 SER C C 21 176.200 176.200 176.530 -0.330 25800 4605 1 10 . 1 1 21 21 SER CA C 21 62.300 62.300 61.505 0.795 25800 4606 1 10 . 1 1 21 21 SER CB C 21 66.800 66.800 63.023 3.777 25800 4607 1 10 . 1 1 21 21 SER H H 21 9.080 9.080 8.921 0.159 25800 4608 1 10 . 1 1 22 22 ARG N N 22 121.200 121.200 120.693 0.507 25800 4609 1 10 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.222 -0.232 25800 4610 1 10 . 1 1 22 22 ARG C C 22 177.900 177.900 178.376 -0.476 25800 4611 1 10 . 1 1 22 22 ARG CA C 22 58.700 58.700 58.947 -0.247 25800 4612 1 10 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.997 -0.397 25800 4613 1 10 . 1 1 22 22 ARG H H 22 7.940 7.940 7.502 0.438 25800 4614 1 10 . 1 1 23 23 ASP N N 23 118.800 118.800 120.934 -2.134 25800 4615 1 10 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.433 -0.043 25800 4616 1 10 . 1 1 23 23 ASP C C 23 179.200 179.200 178.837 0.363 25800 4617 1 10 . 1 1 23 23 ASP CA C 23 57.300 57.300 57.538 -0.238 25800 4618 1 10 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.753 0.247 25800 4619 1 10 . 1 1 23 23 ASP H H 23 7.480 7.480 7.903 -0.423 25800 4620 1 10 . 1 1 24 24 VAL N N 24 119.500 119.500 119.998 -0.498 25800 4621 1 10 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.896 -0.526 25800 4622 1 10 . 1 1 24 24 VAL C C 24 177.500 177.500 177.163 0.337 25800 4623 1 10 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.048 0.852 25800 4624 1 10 . 1 1 24 24 VAL CB C 24 31.400 31.400 32.264 -0.864 25800 4625 1 10 . 1 1 24 24 VAL H H 24 7.450 7.450 8.236 -0.786 25800 4626 1 10 . 1 1 25 25 GLU N N 25 121.400 121.400 120.371 1.029 25800 4627 1 10 . 1 1 25 25 GLU HA H 25 3.570 3.570 4.034 -0.464 25800 4628 1 10 . 1 1 25 25 GLU C C 25 178.400 178.400 178.768 -0.368 25800 4629 1 10 . 1 1 25 25 GLU CA C 25 60.600 60.600 60.260 0.340 25800 4630 1 10 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.418 0.182 25800 4631 1 10 . 1 1 25 25 GLU H H 25 8.580 8.580 7.945 0.635 25800 4632 1 10 . 1 1 26 26 ASN N N 26 114.800 114.800 116.706 -1.906 25800 4633 1 10 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.512 -0.192 25800 4634 1 10 . 1 1 26 26 ASN C C 26 177.400 177.400 177.582 -0.182 25800 4635 1 10 . 1 1 26 26 ASN CA C 26 55.900 55.900 55.535 0.365 25800 4636 1 10 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.237 -0.337 25800 4637 1 10 . 1 1 26 26 ASN H H 26 8.180 8.180 8.164 0.016 25800 4638 1 10 . 1 1 27 27 GLU N N 27 118.900 118.900 120.350 -1.450 25800 4639 1 10 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.184 -0.044 25800 4640 1 10 . 1 1 27 27 GLU C C 27 176.400 176.400 179.014 -2.614 25800 4641 1 10 . 1 1 27 27 GLU CA C 27 57.400 57.400 59.133 -1.733 25800 4642 1 10 . 1 1 27 27 GLU CB C 27 29.400 29.400 29.961 -0.561 25800 4643 1 10 . 1 1 27 27 GLU H H 27 7.340 7.340 8.062 -0.722 25800 4644 1 10 . 1 1 28 28 PHE N N 28 114.100 114.100 118.345 -4.245 25800 4645 1 10 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.437 0.113 25800 4646 1 10 . 1 1 28 28 PHE C C 28 176.300 176.300 178.189 -1.889 25800 4647 1 10 . 1 1 28 28 PHE CA C 28 60.000 60.000 60.797 -0.798 25800 4648 1 10 . 1 1 28 28 PHE CB C 28 40.800 40.800 39.096 1.704 25800 4649 1 10 . 1 1 28 28 PHE H H 28 7.660 7.660 8.449 -0.789 25800 4650 1 10 . 1 1 29 29 ARG N N 29 121.700 121.700 120.506 1.194 25800 4651 1 10 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.293 0.117 25800 4652 1 10 . 1 1 29 29 ARG C C 29 177.100 177.100 177.160 -0.060 25800 4653 1 10 . 1 1 29 29 ARG CA C 29 58.200 58.200 58.483 -0.283 25800 4654 1 10 . 1 1 29 29 ARG CB C 29 29.300 29.300 29.484 -0.184 25800 4655 1 10 . 1 1 29 29 ARG H H 29 8.120 8.120 8.085 0.035 25800 4656 1 10 . 1 1 30 30 LYS N N 30 117.200 117.200 117.632 -0.432 25800 4657 1 10 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.195 -0.365 25800 4658 1 10 . 1 1 30 30 LYS C C 30 177.100 177.100 178.400 -1.300 25800 4659 1 10 . 1 1 30 30 LYS CA C 30 57.800 57.800 57.824 -0.024 25800 4660 1 10 . 1 1 30 30 LYS CB C 30 31.100 31.100 31.842 -0.742 25800 4661 1 10 . 1 1 30 30 LYS H H 30 7.630 7.630 7.712 -0.082 25800 4662 1 10 . 1 1 31 31 TYR N N 31 117.100 117.100 119.572 -2.472 25800 4663 1 10 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.507 -0.357 25800 4664 1 10 . 1 1 31 31 TYR C C 31 174.400 174.400 176.610 -2.210 25800 4665 1 10 . 1 1 31 31 TYR CA C 31 59.900 59.900 60.353 -0.453 25800 4666 1 10 . 1 1 31 31 TYR CB C 31 37.900 37.900 39.796 -1.896 25800 4667 1 10 . 1 1 31 31 TYR H H 31 7.410 7.410 8.131 -0.721 25800 4668 1 10 . 1 1 32 32 GLY N N 32 104.100 104.100 104.261 -0.161 25800 4669 1 10 . 1 1 32 32 GLY C C 32 177.000 177.000 172.350 4.650 25800 4670 1 10 . 1 1 32 32 GLY CA C 32 44.500 44.500 45.011 -0.511 25800 4671 1 10 . 1 1 32 32 GLY H H 32 7.240 7.240 7.926 -0.686 25800 4672 1 10 . 1 1 33 33 ASN N N 33 115.300 115.300 120.731 -5.431 25800 4673 1 10 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.632 -0.192 25800 4674 1 10 . 1 1 33 33 ASN C C 33 175.500 175.500 174.115 1.385 25800 4675 1 10 . 1 1 33 33 ASN CA C 33 54.300 54.300 52.910 1.390 25800 4676 1 10 . 1 1 33 33 ASN CB C 33 38.400 38.400 37.886 0.514 25800 4677 1 10 . 1 1 33 33 ASN H H 33 8.460 8.460 8.433 0.027 25800 4678 1 10 . 1 1 34 34 ILE N N 34 126.700 126.700 125.281 1.419 25800 4679 1 10 . 1 1 34 34 ILE HA H 34 3.790 3.790 3.857 -0.067 25800 4680 1 10 . 1 1 34 34 ILE C C 34 175.600 175.600 175.274 0.326 25800 4681 1 10 . 1 1 34 34 ILE CA C 34 61.300 61.300 61.231 0.069 25800 4682 1 10 . 1 1 34 34 ILE CB C 34 40.000 40.000 38.276 1.724 25800 4683 1 10 . 1 1 34 34 ILE H H 34 8.050 8.050 7.737 0.313 25800 4684 1 10 . 1 1 35 35 LEU N N 35 127.400 127.400 129.356 -1.956 25800 4685 1 10 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.441 -0.281 25800 4686 1 10 . 1 1 35 35 LEU C C 35 177.200 177.200 176.709 0.491 25800 4687 1 10 . 1 1 35 35 LEU CA C 35 55.500 55.500 55.002 0.498 25800 4688 1 10 . 1 1 35 35 LEU CB C 35 42.700 42.700 42.176 0.524 25800 4689 1 10 . 1 1 35 35 LEU H H 35 8.780 8.780 8.880 -0.100 25800 4690 1 10 . 1 1 36 36 LYS N N 36 117.000 117.000 118.231 -1.231 25800 4691 1 10 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.591 -0.351 25800 4692 1 10 . 1 1 36 36 LYS C C 36 173.600 173.600 174.110 -0.510 25800 4693 1 10 . 1 1 36 36 LYS CA C 36 55.900 55.900 55.648 0.252 25800 4694 1 10 . 1 1 36 36 LYS CB C 36 36.600 36.600 36.222 0.378 25800 4695 1 10 . 1 1 36 36 LYS H H 36 7.110 7.110 7.634 -0.524 25800 4696 1 10 . 1 1 37 37 CYS N N 37 125.400 125.400 119.738 5.662 25800 4697 1 10 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.748 -1.048 25800 4698 1 10 . 1 1 37 37 CYS C C 37 171.600 171.600 172.992 -1.392 25800 4699 1 10 . 1 1 37 37 CYS CA C 37 57.900 57.900 56.605 1.295 25800 4700 1 10 . 1 1 37 37 CYS CB C 37 27.100 27.100 31.466 -4.366 25800 4701 1 10 . 1 1 37 37 CYS H H 37 8.610 8.610 8.578 0.032 25800 4702 1 10 . 1 1 38 38 ASP N N 38 128.200 128.200 120.969 7.231 25800 4703 1 10 . 1 1 38 38 ASP HA H 38 4.950 4.950 5.078 -0.128 25800 4704 1 10 . 1 1 38 38 ASP C C 38 174.300 174.300 174.280 0.020 25800 4705 1 10 . 1 1 38 38 ASP CA C 38 53.200 53.200 53.788 -0.588 25800 4706 1 10 . 1 1 38 38 ASP CB C 38 44.300 44.300 45.819 -1.518 25800 4707 1 10 . 1 1 38 38 ASP H H 38 8.290 8.290 8.719 -0.429 25800 4708 1 10 . 1 1 39 39 VAL N N 39 123.500 123.500 120.778 2.722 25800 4709 1 10 . 1 1 39 39 VAL HA H 39 4.300 4.300 5.153 -0.853 25800 4710 1 10 . 1 1 39 39 VAL C C 39 175.000 175.000 175.400 -0.400 25800 4711 1 10 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.246 0.454 25800 4712 1 10 . 1 1 39 39 VAL CB C 39 33.100 33.100 34.169 -1.069 25800 4713 1 10 . 1 1 39 39 VAL H H 39 8.380 8.380 8.649 -0.269 25800 4714 1 10 . 1 1 40 40 LYS N N 40 129.100 129.100 126.392 2.708 25800 4715 1 10 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.963 -0.643 25800 4716 1 10 . 1 1 40 40 LYS C C 40 173.700 173.700 174.406 -0.706 25800 4717 1 10 . 1 1 40 40 LYS CA C 40 53.900 53.900 54.381 -0.481 25800 4718 1 10 . 1 1 40 40 LYS CB C 40 35.500 35.500 36.095 -0.595 25800 4719 1 10 . 1 1 40 40 LYS H H 40 8.680 8.680 9.334 -0.654 25800 4720 1 10 . 1 1 41 41 LYS N N 41 117.300 117.300 120.498 -3.198 25800 4721 1 10 . 1 1 41 41 LYS HA H 41 4.980 4.980 5.230 -0.250 25800 4722 1 10 . 1 1 41 41 LYS C C 41 177.800 177.800 175.676 2.124 25800 4723 1 10 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.485 0.115 25800 4724 1 10 . 1 1 41 41 LYS CB C 41 35.000 35.000 34.973 0.027 25800 4725 1 10 . 1 1 41 41 LYS H H 41 7.900 7.900 8.369 -0.469 25800 4726 1 10 . 1 1 42 42 THR N N 42 113.200 113.200 116.026 -2.826 25800 4727 1 10 . 1 1 42 42 THR HA H 42 4.680 4.680 4.631 0.049 25800 4728 1 10 . 1 1 42 42 THR C C 42 176.900 176.900 176.239 0.661 25800 4729 1 10 . 1 1 42 42 THR CA C 42 60.200 60.200 60.882 -0.682 25800 4730 1 10 . 1 1 42 42 THR CB C 42 71.600 71.600 69.879 1.721 25800 4731 1 10 . 1 1 42 42 THR H H 42 8.730 8.730 8.489 0.241 25800 4732 1 10 . 1 1 43 43 VAL N N 43 120.000 120.000 127.396 -7.396 25800 4733 1 10 . 1 1 43 43 VAL HA H 43 3.920 3.920 3.943 -0.023 25800 4734 1 10 . 1 1 43 43 VAL C C 43 177.000 177.000 176.335 0.665 25800 4735 1 10 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.289 0.411 25800 4736 1 10 . 1 1 43 43 VAL CB C 43 31.800 31.800 32.024 -0.224 25800 4737 1 10 . 1 1 43 43 VAL H H 43 8.730 8.730 8.618 0.112 25800 4738 1 10 . 1 1 44 44 SER N N 44 113.400 113.400 113.954 -0.554 25800 4739 1 10 . 1 1 44 44 SER HA H 44 4.360 4.360 4.376 -0.016 25800 4740 1 10 . 1 1 44 44 SER C C 44 174.800 174.800 175.186 -0.386 25800 4741 1 10 . 1 1 44 44 SER CA C 44 58.400 58.400 58.618 -0.218 25800 4742 1 10 . 1 1 44 44 SER CB C 44 63.500 63.500 63.520 -0.020 25800 4743 1 10 . 1 1 44 44 SER H H 44 7.760 7.760 7.915 -0.155 25800 4744 1 10 . 1 1 45 45 GLY N N 45 110.200 110.200 108.600 1.600 25800 4745 1 10 . 1 1 45 45 GLY C C 45 173.500 173.500 173.950 -0.450 25800 4746 1 10 . 1 1 45 45 GLY CA C 45 45.300 45.300 44.794 0.506 25800 4747 1 10 . 1 1 45 45 GLY H H 45 7.820 7.820 7.750 0.070 25800 4748 1 10 . 1 1 46 46 ALA N N 46 123.900 123.900 122.376 1.524 25800 4749 1 10 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.223 0.167 25800 4750 1 10 . 1 1 46 46 ALA C C 46 176.100 176.100 175.695 0.405 25800 4751 1 10 . 1 1 46 46 ALA CA C 46 51.900 51.900 51.804 0.096 25800 4752 1 10 . 1 1 46 46 ALA CB C 46 19.800 19.800 19.862 -0.062 25800 4753 1 10 . 1 1 46 46 ALA H H 46 7.440 7.440 7.815 -0.375 25800 4754 1 10 . 1 1 47 47 ALA N N 47 123.100 123.100 123.293 -0.193 25800 4755 1 10 . 1 1 47 47 ALA HA H 47 5.200 5.200 5.034 0.166 25800 4756 1 10 . 1 1 47 47 ALA C C 47 176.100 176.100 175.697 0.403 25800 4757 1 10 . 1 1 47 47 ALA CA C 47 50.900 50.900 50.196 0.704 25800 4758 1 10 . 1 1 47 47 ALA CB C 47 21.900 21.900 21.827 0.073 25800 4759 1 10 . 1 1 47 47 ALA H H 47 8.350 8.350 7.920 0.430 25800 4760 1 10 . 1 1 48 48 PHE N N 48 118.700 118.700 118.516 0.184 25800 4761 1 10 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.186 -0.156 25800 4762 1 10 . 1 1 48 48 PHE C C 48 171.600 171.600 173.923 -2.323 25800 4763 1 10 . 1 1 48 48 PHE CA C 48 55.700 55.700 56.468 -0.768 25800 4764 1 10 . 1 1 48 48 PHE CB C 48 41.200 41.200 43.086 -1.886 25800 4765 1 10 . 1 1 48 48 PHE H H 48 8.550 8.550 8.913 -0.363 25800 4766 1 10 . 1 1 49 49 ALA N N 49 120.400 120.400 124.402 -4.002 25800 4767 1 10 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.441 -0.111 25800 4768 1 10 . 1 1 49 49 ALA C C 49 175.500 175.500 175.255 0.245 25800 4769 1 10 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.006 -0.706 25800 4770 1 10 . 1 1 49 49 ALA CB C 49 23.700 23.700 21.838 1.862 25800 4771 1 10 . 1 1 49 49 ALA H H 49 9.240 9.240 9.035 0.205 25800 4772 1 10 . 1 1 50 50 PHE N N 50 115.000 115.000 120.678 -5.678 25800 4773 1 10 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.659 -0.059 25800 4774 1 10 . 1 1 50 50 PHE C C 50 176.000 176.000 174.366 1.634 25800 4775 1 10 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.327 0.173 25800 4776 1 10 . 1 1 50 50 PHE CB C 50 42.200 42.200 43.489 -1.289 25800 4777 1 10 . 1 1 50 50 PHE H H 50 7.920 7.920 9.146 -1.226 25800 4778 1 10 . 1 1 51 51 ILE N N 51 123.000 123.000 121.722 1.278 25800 4779 1 10 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.779 -0.329 25800 4780 1 10 . 1 1 51 51 ILE C C 51 173.700 173.700 174.688 -0.988 25800 4781 1 10 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.426 -0.226 25800 4782 1 10 . 1 1 51 51 ILE CB C 51 40.700 40.700 40.681 0.020 25800 4783 1 10 . 1 1 51 51 ILE H H 51 8.490 8.490 9.023 -0.533 25800 4784 1 10 . 1 1 52 52 GLU N N 52 126.600 126.600 127.442 -0.842 25800 4785 1 10 . 1 1 52 52 GLU HA H 52 4.770 4.770 4.627 0.143 25800 4786 1 10 . 1 1 52 52 GLU C C 52 175.300 175.300 175.158 0.142 25800 4787 1 10 . 1 1 52 52 GLU CA C 52 54.700 54.700 56.893 -2.193 25800 4788 1 10 . 1 1 52 52 GLU CB C 52 31.500 31.500 31.357 0.143 25800 4789 1 10 . 1 1 52 52 GLU H H 52 8.610 8.610 9.006 -0.396 25800 4790 1 10 . 1 1 53 53 PHE N N 53 126.100 126.100 125.261 0.839 25800 4791 1 10 . 1 1 53 53 PHE HA H 53 4.800 4.800 5.130 -0.330 25800 4792 1 10 . 1 1 53 53 PHE C C 53 175.400 175.400 174.572 0.828 25800 4793 1 10 . 1 1 53 53 PHE CA C 53 58.200 58.200 57.183 1.017 25800 4794 1 10 . 1 1 53 53 PHE CB C 53 40.900 40.900 42.986 -2.086 25800 4795 1 10 . 1 1 53 53 PHE H H 53 8.800 8.800 8.838 -0.038 25800 4796 1 10 . 1 1 54 54 GLU N N 54 120.700 120.700 121.590 -0.890 25800 4797 1 10 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.210 -0.280 25800 4798 1 10 . 1 1 54 54 GLU C C 54 175.300 175.300 176.216 -0.916 25800 4799 1 10 . 1 1 54 54 GLU CA C 54 59.100 59.100 57.311 1.789 25800 4800 1 10 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.762 0.038 25800 4801 1 10 . 1 1 54 54 GLU H H 54 8.160 8.160 8.233 -0.073 25800 4802 1 10 . 1 1 55 55 ASP N N 55 117.900 117.900 120.239 -2.339 25800 4803 1 10 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.882 0.038 25800 4804 1 10 . 1 1 55 55 ASP C C 55 176.400 176.400 175.648 0.752 25800 4805 1 10 . 1 1 55 55 ASP CA C 55 52.400 52.400 53.201 -0.801 25800 4806 1 10 . 1 1 55 55 ASP CB C 55 44.400 44.400 41.195 3.205 25800 4807 1 10 . 1 1 55 55 ASP H H 55 8.740 8.740 8.360 0.380 25800 4808 1 10 . 1 1 56 56 ALA N N 56 128.900 128.900 125.983 2.917 25800 4809 1 10 . 1 1 56 56 ALA HA H 56 3.830 3.830 3.505 0.325 25800 4810 1 10 . 1 1 56 56 ALA C C 56 179.800 179.800 178.610 1.190 25800 4811 1 10 . 1 1 56 56 ALA CA C 56 55.200 55.200 55.367 -0.167 25800 4812 1 10 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.834 0.066 25800 4813 1 10 . 1 1 56 56 ALA H H 56 8.800 8.800 8.356 0.444 25800 4814 1 10 . 1 1 57 57 ARG N N 57 119.200 119.200 117.812 1.388 25800 4815 1 10 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.138 -0.248 25800 4816 1 10 . 1 1 57 57 ARG C C 57 178.000 178.000 177.150 0.850 25800 4817 1 10 . 1 1 57 57 ARG CA C 57 58.900 58.900 59.396 -0.496 25800 4818 1 10 . 1 1 57 57 ARG CB C 57 29.300 29.300 29.180 0.120 25800 4819 1 10 . 1 1 57 57 ARG H H 57 8.950 8.950 8.464 0.486 25800 4820 1 10 . 1 1 58 58 ASP N N 58 120.900 120.900 118.103 2.797 25800 4821 1 10 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.510 -0.420 25800 4822 1 10 . 1 1 58 58 ASP C C 58 176.700 176.700 177.934 -1.234 25800 4823 1 10 . 1 1 58 58 ASP CA C 58 56.500 56.500 57.055 -0.555 25800 4824 1 10 . 1 1 58 58 ASP CB C 58 39.900 39.900 40.616 -0.716 25800 4825 1 10 . 1 1 58 58 ASP H H 58 7.020 7.020 8.410 -1.390 25800 4826 1 10 . 1 1 59 59 ALA N N 59 119.700 119.700 122.219 -2.519 25800 4827 1 10 . 1 1 59 59 ALA HA H 59 3.080 3.080 4.546 -1.466 25800 4828 1 10 . 1 1 59 59 ALA C C 59 178.100 178.100 179.577 -1.477 25800 4829 1 10 . 1 1 59 59 ALA CA C 59 54.300 54.300 55.030 -0.730 25800 4830 1 10 . 1 1 59 59 ALA CB C 59 18.400 18.400 18.662 -0.262 25800 4831 1 10 . 1 1 59 59 ALA H H 59 6.440 6.440 8.289 -1.849 25800 4832 1 10 . 1 1 60 60 ALA N N 60 117.600 117.600 121.260 -3.660 25800 4833 1 10 . 1 1 60 60 ALA HA H 60 3.830 3.830 4.034 -0.204 25800 4834 1 10 . 1 1 60 60 ALA C C 60 180.900 180.900 179.505 1.395 25800 4835 1 10 . 1 1 60 60 ALA CA C 60 54.900 54.900 55.555 -0.655 25800 4836 1 10 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.322 -0.622 25800 4837 1 10 . 1 1 60 60 ALA H H 60 7.330 7.330 8.347 -1.017 25800 4838 1 10 . 1 1 61 61 ASP N N 61 120.100 120.100 117.607 2.493 25800 4839 1 10 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.460 -0.250 25800 4840 1 10 . 1 1 61 61 ASP C C 61 176.700 176.700 177.318 -0.618 25800 4841 1 10 . 1 1 61 61 ASP CA C 61 57.100 57.100 56.822 0.278 25800 4842 1 10 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.397 -0.297 25800 4843 1 10 . 1 1 61 61 ASP H H 61 7.590 7.590 7.998 -0.408 25800 4844 1 10 . 1 1 62 62 ALA N N 62 122.200 122.200 120.686 1.514 25800 4845 1 10 . 1 1 62 62 ALA HA H 62 2.420 2.420 4.220 -1.800 25800 4846 1 10 . 1 1 62 62 ALA C C 62 179.300 179.300 179.385 -0.085 25800 4847 1 10 . 1 1 62 62 ALA CA C 62 54.600 54.600 53.800 0.800 25800 4848 1 10 . 1 1 62 62 ALA CB C 62 19.100 19.100 19.621 -0.521 25800 4849 1 10 . 1 1 62 62 ALA H H 62 7.440 7.440 7.497 -0.057 25800 4850 1 10 . 1 1 63 63 ILE N N 63 116.700 116.700 120.094 -3.394 25800 4851 1 10 . 1 1 63 63 ILE HA H 63 3.240 3.240 4.191 -0.951 25800 4852 1 10 . 1 1 63 63 ILE C C 63 177.800 177.800 177.962 -0.162 25800 4853 1 10 . 1 1 63 63 ILE CA C 63 65.600 65.600 63.387 2.213 25800 4854 1 10 . 1 1 63 63 ILE CB C 63 38.900 38.900 37.952 0.948 25800 4855 1 10 . 1 1 63 63 ILE H H 63 7.540 7.540 8.776 -1.236 25800 4856 1 10 . 1 1 64 64 LYS N N 64 117.400 117.400 119.641 -2.241 25800 4857 1 10 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.094 -0.194 25800 4858 1 10 . 1 1 64 64 LYS C C 64 178.900 178.900 178.288 0.612 25800 4859 1 10 . 1 1 64 64 LYS CA C 64 58.800 58.800 59.012 -0.212 25800 4860 1 10 . 1 1 64 64 LYS CB C 64 32.600 32.600 31.470 1.130 25800 4861 1 10 . 1 1 64 64 LYS H H 64 7.490 7.490 8.356 -0.866 25800 4862 1 10 . 1 1 65 65 GLU N N 65 113.800 113.800 118.413 -4.613 25800 4863 1 10 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.261 -0.101 25800 4864 1 10 . 1 1 65 65 GLU C C 65 178.300 178.300 177.659 0.641 25800 4865 1 10 . 1 1 65 65 GLU CA C 65 58.300 58.300 58.315 -0.015 25800 4866 1 10 . 1 1 65 65 GLU CB C 65 30.700 30.700 28.767 1.933 25800 4867 1 10 . 1 1 65 65 GLU H H 65 7.960 7.960 7.938 0.022 25800 4868 1 10 . 1 1 66 66 LYS N N 66 114.700 114.700 117.766 -3.066 25800 4869 1 10 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.513 -0.043 25800 4870 1 10 . 1 1 66 66 LYS C C 66 177.500 177.500 176.400 1.100 25800 4871 1 10 . 1 1 66 66 LYS CA C 66 54.400 54.400 55.159 -0.759 25800 4872 1 10 . 1 1 66 66 LYS CB C 66 33.000 33.000 31.823 1.177 25800 4873 1 10 . 1 1 66 66 LYS H H 66 8.050 8.050 7.781 0.269 25800 4874 1 10 . 1 1 67 67 ASP N N 67 118.800 118.800 120.058 -1.258 25800 4875 1 10 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.465 -0.244 25800 4876 1 10 . 1 1 67 67 ASP C C 67 177.700 177.700 177.763 -0.063 25800 4877 1 10 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.312 4.088 25800 4878 1 10 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.260 0.140 25800 4879 1 10 . 1 1 67 67 ASP H H 67 7.620 7.620 7.476 0.144 25800 4880 1 10 . 1 1 68 68 GLY N N 68 115.600 115.600 108.633 6.967 25800 4881 1 10 . 1 1 68 68 GLY C C 68 173.800 173.800 174.810 -1.010 25800 4882 1 10 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.858 1.042 25800 4883 1 10 . 1 1 68 68 GLY H H 68 8.470 8.470 8.590 -0.120 25800 4884 1 10 . 1 1 69 69 CYS N N 69 119.200 119.200 119.745 -0.545 25800 4885 1 10 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.550 -0.390 25800 4886 1 10 . 1 1 69 69 CYS C C 69 172.600 172.600 173.920 -1.320 25800 4887 1 10 . 1 1 69 69 CYS CA C 69 58.000 58.000 58.061 -0.061 25800 4888 1 10 . 1 1 69 69 CYS CB C 69 28.700 28.700 29.270 -0.570 25800 4889 1 10 . 1 1 69 69 CYS H H 69 7.890 7.890 8.208 -0.318 25800 4890 1 10 . 1 1 70 70 ASP N N 70 122.200 122.200 121.955 0.245 25800 4891 1 10 . 1 1 70 70 ASP HA H 70 4.830 4.830 5.001 -0.171 25800 4892 1 10 . 1 1 70 70 ASP C C 70 176.400 176.400 174.386 2.014 25800 4893 1 10 . 1 1 70 70 ASP CA C 70 54.700 54.700 53.700 1.000 25800 4894 1 10 . 1 1 70 70 ASP CB C 70 42.700 42.700 44.594 -1.894 25800 4895 1 10 . 1 1 70 70 ASP H H 70 8.360 8.360 8.824 -0.464 25800 4896 1 10 . 1 1 71 71 PHE N N 71 127.600 127.600 121.854 5.746 25800 4897 1 10 . 1 1 71 71 PHE HA H 71 4.600 4.600 4.913 -0.313 25800 4898 1 10 . 1 1 71 71 PHE C C 71 173.600 173.600 174.840 -1.240 25800 4899 1 10 . 1 1 71 71 PHE CA C 71 56.800 56.800 57.192 -0.392 25800 4900 1 10 . 1 1 71 71 PHE CB C 71 40.700 40.700 41.459 -0.758 25800 4901 1 10 . 1 1 71 71 PHE H H 71 9.390 9.390 8.354 1.036 25800 4902 1 10 . 1 1 72 72 GLU N N 72 123.900 123.900 120.683 3.217 25800 4903 1 10 . 1 1 72 72 GLU HA H 72 3.540 3.540 3.695 -0.155 25800 4904 1 10 . 1 1 72 72 GLU C C 72 175.500 175.500 175.728 -0.228 25800 4905 1 10 . 1 1 72 72 GLU CA C 72 56.700 56.700 56.591 0.109 25800 4906 1 10 . 1 1 72 72 GLU CB C 72 27.300 27.300 29.288 -1.988 25800 4907 1 10 . 1 1 72 72 GLU H H 72 8.940 8.940 7.721 1.219 25800 4908 1 10 . 1 1 73 73 GLY N N 73 105.200 105.200 107.066 -1.866 25800 4909 1 10 . 1 1 73 73 GLY C C 73 174.100 174.100 173.788 0.312 25800 4910 1 10 . 1 1 73 73 GLY CA C 73 45.600 45.600 44.708 0.892 25800 4911 1 10 . 1 1 73 73 GLY H H 73 8.350 8.350 8.239 0.111 25800 4912 1 10 . 1 1 74 74 ASN N N 74 121.000 121.000 118.060 2.940 25800 4913 1 10 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.939 -0.179 25800 4914 1 10 . 1 1 74 74 ASN C C 74 174.000 174.000 173.067 0.933 25800 4915 1 10 . 1 1 74 74 ASN CA C 74 50.900 50.900 52.514 -1.614 25800 4916 1 10 . 1 1 74 74 ASN CB C 74 39.700 39.700 40.831 -1.131 25800 4917 1 10 . 1 1 74 74 ASN H H 74 7.740 7.740 7.329 0.411 25800 4918 1 10 . 1 1 75 75 LYS N N 75 121.400 121.400 121.385 0.015 25800 4919 1 10 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.665 -0.195 25800 4920 1 10 . 1 1 75 75 LYS C C 75 176.900 176.900 174.597 2.303 25800 4921 1 10 . 1 1 75 75 LYS CA C 75 55.300 55.300 56.100 -0.800 25800 4922 1 10 . 1 1 75 75 LYS CB C 75 31.900 31.900 33.507 -1.607 25800 4923 1 10 . 1 1 75 75 LYS H H 75 8.380 8.380 8.471 -0.091 25800 4924 1 10 . 1 1 76 76 LEU N N 76 127.400 127.400 123.812 3.588 25800 4925 1 10 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.640 -0.210 25800 4926 1 10 . 1 1 76 76 LEU C C 76 177.600 177.600 173.630 3.970 25800 4927 1 10 . 1 1 76 76 LEU CA C 76 55.300 55.300 55.368 -0.068 25800 4928 1 10 . 1 1 76 76 LEU CB C 76 43.100 43.100 47.014 -3.914 25800 4929 1 10 . 1 1 76 76 LEU H H 76 8.950 8.950 8.598 0.352 25800 4930 1 10 . 1 1 77 77 ARG N N 77 121.800 121.800 123.495 -1.695 25800 4931 1 10 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.842 0.058 25800 4932 1 10 . 1 1 77 77 ARG C C 77 174.700 174.700 173.530 1.170 25800 4933 1 10 . 1 1 77 77 ARG CA C 77 54.000 54.000 55.610 -1.610 25800 4934 1 10 . 1 1 77 77 ARG CB C 77 32.300 32.300 34.197 -1.897 25800 4935 1 10 . 1 1 77 77 ARG H H 77 7.530 7.530 8.886 -1.356 25800 4936 1 10 . 1 1 78 78 VAL N N 78 127.000 127.000 125.100 1.900 25800 4937 1 10 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.323 0.957 25800 4938 1 10 . 1 1 78 78 VAL C C 78 174.200 174.200 174.053 0.147 25800 4939 1 10 . 1 1 78 78 VAL CA C 78 61.200 61.200 61.635 -0.435 25800 4940 1 10 . 1 1 78 78 VAL CB C 78 33.400 33.400 34.809 -1.409 25800 4941 1 10 . 1 1 78 78 VAL H H 78 9.660 9.660 8.549 1.111 25800 4942 1 10 . 1 1 79 79 GLU N N 79 121.900 121.900 126.906 -5.006 25800 4943 1 10 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.568 0.142 25800 4944 1 10 . 1 1 79 79 GLU C C 79 174.600 174.600 174.269 0.331 25800 4945 1 10 . 1 1 79 79 GLU CA C 79 53.900 53.900 55.475 -1.575 25800 4946 1 10 . 1 1 79 79 GLU CB C 79 34.400 34.400 33.928 0.472 25800 4947 1 10 . 1 1 79 79 GLU H H 79 8.980 8.980 8.188 0.792 25800 4948 1 10 . 1 1 80 80 VAL N N 80 121.300 121.300 122.089 -0.789 25800 4949 1 10 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.364 0.006 25800 4950 1 10 . 1 1 80 80 VAL CA C 80 61.000 61.000 58.636 2.364 25800 4951 1 10 . 1 1 80 80 VAL CB C 80 32.100 32.100 31.270 0.830 25800 4952 1 10 . 1 1 80 80 VAL H H 80 8.410 8.410 8.364 0.046 25800 4953 1 10 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.293 -0.033 25800 4954 1 10 . 1 1 81 81 PRO C C 81 176.100 176.100 177.190 -1.090 25800 4955 1 10 . 1 1 81 81 PRO CA C 81 63.100 63.100 64.733 -1.633 25800 4956 1 10 . 1 1 81 81 PRO CB C 81 32.100 32.100 31.762 0.338 25800 4957 1 10 . 1 1 82 82 PHE N N 82 122.200 122.200 115.104 7.096 25800 4958 1 10 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.446 -0.156 25800 4959 1 10 . 1 1 82 82 PHE C C 82 175.300 175.300 176.223 -0.923 25800 4960 1 10 . 1 1 82 82 PHE CA C 82 58.100 58.100 57.597 0.503 25800 4961 1 10 . 1 1 82 82 PHE CB C 82 39.400 39.400 38.610 0.790 25800 4962 1 10 . 1 1 82 82 PHE H H 82 8.150 8.150 7.736 0.414 25800 4963 1 10 . 1 1 83 83 ASN N N 83 120.800 120.800 116.300 4.500 25800 4964 1 10 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.027 0.413 25800 4965 1 10 . 1 1 83 83 ASN C C 83 174.100 174.100 174.237 -0.137 25800 4966 1 10 . 1 1 83 83 ASN CA C 83 52.700 52.700 55.322 -2.622 25800 4967 1 10 . 1 1 83 83 ASN CB C 83 38.700 38.700 37.706 0.994 25800 4968 1 10 . 1 1 83 83 ASN H H 83 8.110 8.110 7.826 0.284 25800 4969 1 10 . 1 1 84 84 ALA N N 84 123.700 123.700 119.022 4.678 25800 4970 1 10 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.802 -0.722 25800 4971 1 10 . 1 1 84 84 ALA C C 84 177.100 177.100 176.214 0.886 25800 4972 1 10 . 1 1 84 84 ALA CA C 84 52.400 52.400 52.082 0.318 25800 4973 1 10 . 1 1 84 84 ALA CB C 84 19.100 19.100 21.173 -2.073 25800 4974 1 10 . 1 1 84 84 ALA H H 84 8.020 8.020 8.011 0.009 25800 4975 1 10 . 1 1 85 85 ARG N N 85 120.200 120.200 120.211 -0.011 25800 4976 1 10 . 1 1 85 85 ARG HA H 85 4.150 4.150 4.314 -0.164 25800 4977 1 10 . 1 1 85 85 ARG C C 85 175.200 175.200 175.144 0.056 25800 4978 1 10 . 1 1 85 85 ARG CA C 85 56.000 56.000 56.090 -0.090 25800 4979 1 10 . 1 1 85 85 ARG CB C 85 30.800 30.800 28.175 2.625 25800 4980 1 10 . 1 1 85 85 ARG H H 85 8.040 8.040 8.845 -0.805 25800 4981 1 11 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.359 0.231 25800 4982 1 11 . 1 1 0 0 HIS C C 0 174.000 174.000 173.471 0.529 25800 4983 1 11 . 1 1 0 0 HIS CA C 0 55.300 55.300 56.335 -1.035 25800 4984 1 11 . 1 1 0 0 HIS CB C 0 29.300 29.300 28.822 0.478 25800 4985 1 11 . 1 1 1 1 MET N N 1 122.400 122.400 118.705 3.695 25800 4986 1 11 . 1 1 1 1 MET HA H 1 4.340 4.340 4.505 -0.165 25800 4987 1 11 . 1 1 1 1 MET C C 1 175.600 175.600 174.508 1.092 25800 4988 1 11 . 1 1 1 1 MET CA C 1 55.600 55.600 54.719 0.881 25800 4989 1 11 . 1 1 1 1 MET CB C 1 32.800 32.800 34.729 -1.929 25800 4990 1 11 . 1 1 1 1 MET H H 1 8.310 8.310 7.941 0.369 25800 4991 1 11 . 1 1 2 2 VAL N N 2 123.200 123.200 121.237 1.963 25800 4992 1 11 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.270 -0.310 25800 4993 1 11 . 1 1 2 2 VAL C C 2 175.600 175.600 176.240 -0.640 25800 4994 1 11 . 1 1 2 2 VAL CA C 2 62.300 62.300 62.096 0.204 25800 4995 1 11 . 1 1 2 2 VAL CB C 2 32.300 32.300 33.325 -1.025 25800 4996 1 11 . 1 1 2 2 VAL H H 2 8.180 8.180 8.238 -0.058 25800 4997 1 11 . 1 1 3 3 ILE N N 3 126.200 126.200 124.036 2.164 25800 4998 1 11 . 1 1 3 3 ILE HA H 3 4.050 4.050 3.882 0.168 25800 4999 1 11 . 1 1 3 3 ILE C C 3 175.800 175.800 175.456 0.344 25800 5000 1 11 . 1 1 3 3 ILE CA C 3 60.700 60.700 62.059 -1.359 25800 5001 1 11 . 1 1 3 3 ILE CB C 3 38.300 38.300 37.005 1.295 25800 5002 1 11 . 1 1 3 3 ILE H H 3 8.230 8.230 8.387 -0.157 25800 5003 1 11 . 1 1 4 4 ARG N N 4 126.100 126.100 121.787 4.313 25800 5004 1 11 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.424 -0.244 25800 5005 1 11 . 1 1 4 4 ARG C C 4 175.900 175.900 175.075 0.825 25800 5006 1 11 . 1 1 4 4 ARG CA C 4 56.000 56.000 54.999 1.001 25800 5007 1 11 . 1 1 4 4 ARG CB C 4 30.700 30.700 32.539 -1.839 25800 5008 1 11 . 1 1 4 4 ARG H H 4 8.360 8.360 7.846 0.514 25800 5009 1 11 . 1 1 5 5 GLU N N 5 122.200 122.200 124.315 -2.115 25800 5010 1 11 . 1 1 5 5 GLU HA H 5 4.140 4.140 4.379 -0.239 25800 5011 1 11 . 1 1 5 5 GLU C C 5 176.100 176.100 176.187 -0.087 25800 5012 1 11 . 1 1 5 5 GLU CA C 5 56.600 56.600 56.247 0.353 25800 5013 1 11 . 1 1 5 5 GLU CB C 5 30.300 30.300 30.590 -0.290 25800 5014 1 11 . 1 1 5 5 GLU H H 5 8.400 8.400 8.598 -0.198 25800 5015 1 11 . 1 1 6 6 SER N N 6 116.200 116.200 119.755 -3.555 25800 5016 1 11 . 1 1 6 6 SER HA H 6 4.350 4.350 4.414 -0.064 25800 5017 1 11 . 1 1 6 6 SER C C 6 174.300 174.300 174.165 0.135 25800 5018 1 11 . 1 1 6 6 SER CA C 6 58.200 58.200 58.336 -0.136 25800 5019 1 11 . 1 1 6 6 SER CB C 6 63.800 63.800 63.772 0.028 25800 5020 1 11 . 1 1 6 6 SER H H 6 8.270 8.270 8.480 -0.210 25800 5021 1 11 . 1 1 7 7 VAL N N 7 119.800 119.800 125.017 -5.217 25800 5022 1 11 . 1 1 7 7 VAL HA H 7 4.300 4.300 4.213 0.087 25800 5023 1 11 . 1 1 7 7 VAL C C 7 175.500 175.500 175.389 0.111 25800 5024 1 11 . 1 1 7 7 VAL CA C 7 61.700 61.700 62.288 -0.588 25800 5025 1 11 . 1 1 7 7 VAL CB C 7 32.800 32.800 32.394 0.406 25800 5026 1 11 . 1 1 7 7 VAL H H 7 7.840 7.840 8.445 -0.605 25800 5027 1 11 . 1 1 8 8 SER N N 8 117.800 117.800 122.953 -5.153 25800 5028 1 11 . 1 1 8 8 SER HA H 8 4.240 4.240 4.802 -0.562 25800 5029 1 11 . 1 1 8 8 SER C C 8 172.500 172.500 172.907 -0.407 25800 5030 1 11 . 1 1 8 8 SER CA C 8 58.500 58.500 58.240 0.260 25800 5031 1 11 . 1 1 8 8 SER CB C 8 63.600 63.600 63.370 0.230 25800 5032 1 11 . 1 1 8 8 SER H H 8 8.530 8.530 8.942 -0.412 25800 5033 1 11 . 1 1 9 9 ARG N N 9 123.000 123.000 123.499 -0.499 25800 5034 1 11 . 1 1 9 9 ARG HA H 9 5.500 5.500 5.036 0.464 25800 5035 1 11 . 1 1 9 9 ARG C C 9 175.000 175.000 174.470 0.530 25800 5036 1 11 . 1 1 9 9 ARG CA C 9 54.300 54.300 54.664 -0.364 25800 5037 1 11 . 1 1 9 9 ARG CB C 9 33.400 33.400 32.450 0.950 25800 5038 1 11 . 1 1 9 9 ARG H H 9 7.350 7.350 8.506 -1.156 25800 5039 1 11 . 1 1 10 10 ILE N N 10 114.000 114.000 121.524 -7.524 25800 5040 1 11 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.128 0.692 25800 5041 1 11 . 1 1 10 10 ILE C C 10 173.000 173.000 174.514 -1.514 25800 5042 1 11 . 1 1 10 10 ILE CA C 10 59.400 59.400 61.324 -1.924 25800 5043 1 11 . 1 1 10 10 ILE CB C 10 40.900 40.900 38.965 1.935 25800 5044 1 11 . 1 1 10 10 ILE H H 10 8.830 8.830 8.543 0.287 25800 5045 1 11 . 1 1 11 11 TYR N N 11 123.400 123.400 126.479 -3.079 25800 5046 1 11 . 1 1 11 11 TYR HA H 11 4.930 4.930 5.016 -0.086 25800 5047 1 11 . 1 1 11 11 TYR C C 11 173.000 173.000 173.459 -0.459 25800 5048 1 11 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.452 0.548 25800 5049 1 11 . 1 1 11 11 TYR CB C 11 40.900 40.900 41.980 -1.079 25800 5050 1 11 . 1 1 11 11 TYR H H 11 8.690 8.690 7.861 0.829 25800 5051 1 11 . 1 1 12 12 VAL N N 12 126.300 126.300 125.409 0.891 25800 5052 1 11 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.181 0.379 25800 5053 1 11 . 1 1 12 12 VAL C C 12 174.100 174.100 174.065 0.035 25800 5054 1 11 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.580 -0.380 25800 5055 1 11 . 1 1 12 12 VAL CB C 12 33.400 33.400 35.025 -1.625 25800 5056 1 11 . 1 1 12 12 VAL H H 12 8.370 8.370 7.904 0.466 25800 5057 1 11 . 1 1 13 13 GLY N N 13 113.000 113.000 110.737 2.263 25800 5058 1 11 . 1 1 13 13 GLY C C 13 173.100 173.100 173.305 -0.205 25800 5059 1 11 . 1 1 13 13 GLY CA C 13 43.300 43.300 42.998 0.301 25800 5060 1 11 . 1 1 13 13 GLY H H 13 9.350 9.350 8.538 0.812 25800 5061 1 11 . 1 1 14 14 ASN N N 14 113.900 113.900 115.918 -2.018 25800 5062 1 11 . 1 1 14 14 ASN HA H 14 4.280 4.280 4.057 0.223 25800 5063 1 11 . 1 1 14 14 ASN C C 14 175.800 175.800 174.702 1.098 25800 5064 1 11 . 1 1 14 14 ASN CA C 14 53.600 53.600 53.914 -0.314 25800 5065 1 11 . 1 1 14 14 ASN CB C 14 37.700 37.700 36.972 0.728 25800 5066 1 11 . 1 1 14 14 ASN H H 14 8.800 8.800 8.277 0.523 25800 5067 1 11 . 1 1 15 15 LEU N N 15 115.800 115.800 121.384 -5.584 25800 5068 1 11 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.303 0.687 25800 5069 1 11 . 1 1 15 15 LEU CA C 15 55.600 55.600 53.820 1.780 25800 5070 1 11 . 1 1 15 15 LEU CB C 15 41.600 41.600 42.954 -1.354 25800 5071 1 11 . 1 1 15 15 LEU H H 15 7.150 7.150 7.737 -0.587 25800 5072 1 11 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.552 -0.482 25800 5073 1 11 . 1 1 16 16 PRO C C 16 171.500 171.500 178.094 -6.594 25800 5074 1 11 . 1 1 16 16 PRO CA C 16 62.500 62.500 62.544 -0.044 25800 5075 1 11 . 1 1 16 16 PRO CB C 16 32.000 32.000 32.533 -0.533 25800 5076 1 11 . 1 1 17 17 SER N N 17 115.200 115.200 114.488 0.712 25800 5077 1 11 . 1 1 17 17 SER HA H 17 4.300 4.300 3.894 0.406 25800 5078 1 11 . 1 1 17 17 SER C C 17 174.200 174.200 173.759 0.441 25800 5079 1 11 . 1 1 17 17 SER CA C 17 58.200 58.200 59.282 -1.082 25800 5080 1 11 . 1 1 17 17 SER CB C 17 63.900 63.900 62.992 0.908 25800 5081 1 11 . 1 1 17 17 SER H H 17 8.470 8.470 8.488 -0.018 25800 5082 1 11 . 1 1 18 18 HIS N N 18 120.800 120.800 117.156 3.644 25800 5083 1 11 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.206 0.344 25800 5084 1 11 . 1 1 18 18 HIS C C 18 175.100 175.100 174.891 0.209 25800 5085 1 11 . 1 1 18 18 HIS CA C 18 55.500 55.500 56.175 -0.675 25800 5086 1 11 . 1 1 18 18 HIS CB C 18 29.300 29.300 27.758 1.542 25800 5087 1 11 . 1 1 18 18 HIS H H 18 8.540 8.540 7.904 0.636 25800 5088 1 11 . 1 1 19 19 VAL N N 19 115.700 115.700 115.123 0.577 25800 5089 1 11 . 1 1 19 19 VAL HA H 19 4.260 4.260 3.891 0.369 25800 5090 1 11 . 1 1 19 19 VAL C C 19 174.000 174.000 176.457 -2.457 25800 5091 1 11 . 1 1 19 19 VAL CA C 19 61.900 61.900 63.169 -1.269 25800 5092 1 11 . 1 1 19 19 VAL CB C 19 32.600 32.600 32.169 0.431 25800 5093 1 11 . 1 1 19 19 VAL H H 19 6.650 6.650 7.999 -1.349 25800 5094 1 11 . 1 1 20 20 SER N N 20 118.800 118.800 121.974 -3.174 25800 5095 1 11 . 1 1 20 20 SER HA H 20 4.710 4.710 4.590 0.120 25800 5096 1 11 . 1 1 20 20 SER C C 20 175.900 175.900 176.213 -0.313 25800 5097 1 11 . 1 1 20 20 SER CA C 20 55.800 55.800 58.264 -2.464 25800 5098 1 11 . 1 1 20 20 SER CB C 20 66.600 66.600 64.722 1.878 25800 5099 1 11 . 1 1 20 20 SER H H 20 8.930 8.930 8.142 0.788 25800 5100 1 11 . 1 1 21 21 SER N N 21 117.100 117.100 118.914 -1.814 25800 5101 1 11 . 1 1 21 21 SER HA H 21 3.880 3.880 4.138 -0.258 25800 5102 1 11 . 1 1 21 21 SER C C 21 176.200 176.200 176.801 -0.601 25800 5103 1 11 . 1 1 21 21 SER CA C 21 62.300 62.300 61.527 0.773 25800 5104 1 11 . 1 1 21 21 SER CB C 21 66.800 66.800 63.319 3.481 25800 5105 1 11 . 1 1 21 21 SER H H 21 9.080 9.080 9.032 0.048 25800 5106 1 11 . 1 1 22 22 ARG N N 22 121.200 121.200 120.114 1.086 25800 5107 1 11 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.145 -0.155 25800 5108 1 11 . 1 1 22 22 ARG C C 22 177.900 177.900 178.347 -0.447 25800 5109 1 11 . 1 1 22 22 ARG CA C 22 58.700 58.700 59.522 -0.822 25800 5110 1 11 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.991 -0.391 25800 5111 1 11 . 1 1 22 22 ARG H H 22 7.940 7.940 8.489 -0.549 25800 5112 1 11 . 1 1 23 23 ASP N N 23 118.800 118.800 120.392 -1.592 25800 5113 1 11 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.587 -0.197 25800 5114 1 11 . 1 1 23 23 ASP C C 23 179.200 179.200 178.512 0.688 25800 5115 1 11 . 1 1 23 23 ASP CA C 23 57.300 57.300 56.897 0.403 25800 5116 1 11 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.870 0.130 25800 5117 1 11 . 1 1 23 23 ASP H H 23 7.480 7.480 7.704 -0.224 25800 5118 1 11 . 1 1 24 24 VAL N N 24 119.500 119.500 120.944 -1.444 25800 5119 1 11 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.957 -0.587 25800 5120 1 11 . 1 1 24 24 VAL C C 24 177.500 177.500 177.535 -0.035 25800 5121 1 11 . 1 1 24 24 VAL CA C 24 66.900 66.900 65.133 1.767 25800 5122 1 11 . 1 1 24 24 VAL CB C 24 31.400 31.400 32.177 -0.777 25800 5123 1 11 . 1 1 24 24 VAL H H 24 7.450 7.450 8.440 -0.990 25800 5124 1 11 . 1 1 25 25 GLU N N 25 121.400 121.400 120.969 0.431 25800 5125 1 11 . 1 1 25 25 GLU HA H 25 3.570 3.570 3.941 -0.371 25800 5126 1 11 . 1 1 25 25 GLU C C 25 178.400 178.400 178.699 -0.299 25800 5127 1 11 . 1 1 25 25 GLU CA C 25 60.600 60.600 60.591 0.009 25800 5128 1 11 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.525 0.075 25800 5129 1 11 . 1 1 25 25 GLU H H 25 8.580 8.580 8.178 0.402 25800 5130 1 11 . 1 1 26 26 ASN N N 26 114.800 114.800 116.615 -1.815 25800 5131 1 11 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.526 -0.206 25800 5132 1 11 . 1 1 26 26 ASN C C 26 177.400 177.400 177.573 -0.173 25800 5133 1 11 . 1 1 26 26 ASN CA C 26 55.900 55.900 55.468 0.432 25800 5134 1 11 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.251 -0.351 25800 5135 1 11 . 1 1 26 26 ASN H H 26 8.180 8.180 7.823 0.357 25800 5136 1 11 . 1 1 27 27 GLU N N 27 118.900 118.900 120.669 -1.769 25800 5137 1 11 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.131 0.009 25800 5138 1 11 . 1 1 27 27 GLU C C 27 176.400 176.400 179.093 -2.693 25800 5139 1 11 . 1 1 27 27 GLU CA C 27 57.400 57.400 59.214 -1.814 25800 5140 1 11 . 1 1 27 27 GLU CB C 27 29.400 29.400 29.847 -0.447 25800 5141 1 11 . 1 1 27 27 GLU H H 27 7.340 7.340 8.062 -0.722 25800 5142 1 11 . 1 1 28 28 PHE N N 28 114.100 114.100 118.719 -4.619 25800 5143 1 11 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.542 0.008 25800 5144 1 11 . 1 1 28 28 PHE C C 28 176.300 176.300 177.767 -1.467 25800 5145 1 11 . 1 1 28 28 PHE CA C 28 60.000 60.000 61.019 -1.019 25800 5146 1 11 . 1 1 28 28 PHE CB C 28 40.800 40.800 39.268 1.532 25800 5147 1 11 . 1 1 28 28 PHE H H 28 7.660 7.660 8.254 -0.594 25800 5148 1 11 . 1 1 29 29 ARG N N 29 121.700 121.700 119.048 2.652 25800 5149 1 11 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.322 0.088 25800 5150 1 11 . 1 1 29 29 ARG C C 29 177.100 177.100 177.653 -0.553 25800 5151 1 11 . 1 1 29 29 ARG CA C 29 58.200 58.200 59.038 -0.838 25800 5152 1 11 . 1 1 29 29 ARG CB C 29 29.300 29.300 30.103 -0.803 25800 5153 1 11 . 1 1 29 29 ARG H H 29 8.120 8.120 8.289 -0.169 25800 5154 1 11 . 1 1 30 30 LYS N N 30 117.200 117.200 117.760 -0.560 25800 5155 1 11 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.179 -0.349 25800 5156 1 11 . 1 1 30 30 LYS C C 30 177.100 177.100 178.657 -1.557 25800 5157 1 11 . 1 1 30 30 LYS CA C 30 57.800 57.800 58.050 -0.251 25800 5158 1 11 . 1 1 30 30 LYS CB C 30 31.100 31.100 31.879 -0.779 25800 5159 1 11 . 1 1 30 30 LYS H H 30 7.630 7.630 7.783 -0.153 25800 5160 1 11 . 1 1 31 31 TYR N N 31 117.100 117.100 119.638 -2.538 25800 5161 1 11 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.474 -0.324 25800 5162 1 11 . 1 1 31 31 TYR C C 31 174.400 174.400 176.549 -2.149 25800 5163 1 11 . 1 1 31 31 TYR CA C 31 59.900 59.900 60.359 -0.459 25800 5164 1 11 . 1 1 31 31 TYR CB C 31 37.900 37.900 39.740 -1.840 25800 5165 1 11 . 1 1 31 31 TYR H H 31 7.410 7.410 8.093 -0.683 25800 5166 1 11 . 1 1 32 32 GLY N N 32 104.100 104.100 103.910 0.190 25800 5167 1 11 . 1 1 32 32 GLY C C 32 177.000 177.000 171.663 5.337 25800 5168 1 11 . 1 1 32 32 GLY CA C 32 44.500 44.500 44.713 -0.213 25800 5169 1 11 . 1 1 32 32 GLY H H 32 7.240 7.240 7.997 -0.757 25800 5170 1 11 . 1 1 33 33 ASN N N 33 115.300 115.300 118.594 -3.294 25800 5171 1 11 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.671 -0.231 25800 5172 1 11 . 1 1 33 33 ASN C C 33 175.500 175.500 174.547 0.953 25800 5173 1 11 . 1 1 33 33 ASN CA C 33 54.300 54.300 52.224 2.076 25800 5174 1 11 . 1 1 33 33 ASN CB C 33 38.400 38.400 39.021 -0.621 25800 5175 1 11 . 1 1 33 33 ASN H H 33 8.460 8.460 8.401 0.059 25800 5176 1 11 . 1 1 34 34 ILE N N 34 126.700 126.700 124.812 1.888 25800 5177 1 11 . 1 1 34 34 ILE HA H 34 3.790 3.790 4.176 -0.386 25800 5178 1 11 . 1 1 34 34 ILE C C 34 175.600 175.600 174.943 0.657 25800 5179 1 11 . 1 1 34 34 ILE CA C 34 61.300 61.300 60.877 0.423 25800 5180 1 11 . 1 1 34 34 ILE CB C 34 40.000 40.000 38.502 1.498 25800 5181 1 11 . 1 1 34 34 ILE H H 34 8.050 8.050 8.145 -0.095 25800 5182 1 11 . 1 1 35 35 LEU N N 35 127.400 127.400 129.004 -1.604 25800 5183 1 11 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.490 -0.330 25800 5184 1 11 . 1 1 35 35 LEU C C 35 177.200 177.200 177.254 -0.054 25800 5185 1 11 . 1 1 35 35 LEU CA C 35 55.500 55.500 55.137 0.363 25800 5186 1 11 . 1 1 35 35 LEU CB C 35 42.700 42.700 42.086 0.615 25800 5187 1 11 . 1 1 35 35 LEU H H 35 8.780 8.780 8.774 0.006 25800 5188 1 11 . 1 1 36 36 LYS N N 36 117.000 117.000 118.250 -1.250 25800 5189 1 11 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.557 -0.317 25800 5190 1 11 . 1 1 36 36 LYS C C 36 173.600 173.600 173.958 -0.358 25800 5191 1 11 . 1 1 36 36 LYS CA C 36 55.900 55.900 55.635 0.265 25800 5192 1 11 . 1 1 36 36 LYS CB C 36 36.600 36.600 35.205 1.395 25800 5193 1 11 . 1 1 36 36 LYS H H 36 7.110 7.110 7.654 -0.544 25800 5194 1 11 . 1 1 37 37 CYS N N 37 125.400 125.400 120.334 5.066 25800 5195 1 11 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.729 -1.029 25800 5196 1 11 . 1 1 37 37 CYS C C 37 171.600 171.600 172.767 -1.167 25800 5197 1 11 . 1 1 37 37 CYS CA C 37 57.900 57.900 56.781 1.119 25800 5198 1 11 . 1 1 37 37 CYS CB C 37 27.100 27.100 31.334 -4.234 25800 5199 1 11 . 1 1 37 37 CYS H H 37 8.610 8.610 8.727 -0.117 25800 5200 1 11 . 1 1 38 38 ASP N N 38 128.200 128.200 121.770 6.430 25800 5201 1 11 . 1 1 38 38 ASP HA H 38 4.950 4.950 4.953 -0.003 25800 5202 1 11 . 1 1 38 38 ASP C C 38 174.300 174.300 173.942 0.358 25800 5203 1 11 . 1 1 38 38 ASP CA C 38 53.200 53.200 53.908 -0.708 25800 5204 1 11 . 1 1 38 38 ASP CB C 38 44.300 44.300 45.428 -1.129 25800 5205 1 11 . 1 1 38 38 ASP H H 38 8.290 8.290 8.812 -0.522 25800 5206 1 11 . 1 1 39 39 VAL N N 39 123.500 123.500 120.590 2.910 25800 5207 1 11 . 1 1 39 39 VAL HA H 39 4.300 4.300 4.944 -0.644 25800 5208 1 11 . 1 1 39 39 VAL C C 39 175.000 175.000 175.092 -0.092 25800 5209 1 11 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.323 0.377 25800 5210 1 11 . 1 1 39 39 VAL CB C 39 33.100 33.100 34.081 -0.981 25800 5211 1 11 . 1 1 39 39 VAL H H 39 8.380 8.380 8.557 -0.177 25800 5212 1 11 . 1 1 40 40 LYS N N 40 129.100 129.100 126.990 2.110 25800 5213 1 11 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.909 -0.589 25800 5214 1 11 . 1 1 40 40 LYS C C 40 173.700 173.700 174.699 -0.999 25800 5215 1 11 . 1 1 40 40 LYS CA C 40 53.900 53.900 54.511 -0.611 25800 5216 1 11 . 1 1 40 40 LYS CB C 40 35.500 35.500 35.340 0.161 25800 5217 1 11 . 1 1 40 40 LYS H H 40 8.680 8.680 9.266 -0.586 25800 5218 1 11 . 1 1 41 41 LYS N N 41 117.300 117.300 120.605 -3.305 25800 5219 1 11 . 1 1 41 41 LYS HA H 41 4.980 4.980 5.239 -0.259 25800 5220 1 11 . 1 1 41 41 LYS C C 41 177.800 177.800 175.648 2.152 25800 5221 1 11 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.457 0.143 25800 5222 1 11 . 1 1 41 41 LYS CB C 41 35.000 35.000 34.968 0.032 25800 5223 1 11 . 1 1 41 41 LYS H H 41 7.900 7.900 8.317 -0.417 25800 5224 1 11 . 1 1 42 42 THR N N 42 113.200 113.200 115.951 -2.751 25800 5225 1 11 . 1 1 42 42 THR HA H 42 4.680 4.680 4.692 -0.012 25800 5226 1 11 . 1 1 42 42 THR C C 42 176.900 176.900 176.550 0.350 25800 5227 1 11 . 1 1 42 42 THR CA C 42 60.200 60.200 60.544 -0.344 25800 5228 1 11 . 1 1 42 42 THR CB C 42 71.600 71.600 69.944 1.656 25800 5229 1 11 . 1 1 42 42 THR H H 42 8.730 8.730 8.485 0.245 25800 5230 1 11 . 1 1 43 43 VAL N N 43 120.000 120.000 124.122 -4.122 25800 5231 1 11 . 1 1 43 43 VAL HA H 43 3.920 3.920 4.014 -0.094 25800 5232 1 11 . 1 1 43 43 VAL C C 43 177.000 177.000 176.541 0.459 25800 5233 1 11 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.473 0.227 25800 5234 1 11 . 1 1 43 43 VAL CB C 43 31.800 31.800 31.715 0.085 25800 5235 1 11 . 1 1 43 43 VAL H H 43 8.730 8.730 8.540 0.190 25800 5236 1 11 . 1 1 44 44 SER N N 44 113.400 113.400 115.474 -2.074 25800 5237 1 11 . 1 1 44 44 SER HA H 44 4.360 4.360 4.372 -0.012 25800 5238 1 11 . 1 1 44 44 SER C C 44 174.800 174.800 175.455 -0.655 25800 5239 1 11 . 1 1 44 44 SER CA C 44 58.400 58.400 58.610 -0.210 25800 5240 1 11 . 1 1 44 44 SER CB C 44 63.500 63.500 63.506 -0.006 25800 5241 1 11 . 1 1 44 44 SER H H 44 7.760 7.760 7.989 -0.229 25800 5242 1 11 . 1 1 45 45 GLY N N 45 110.200 110.200 108.601 1.599 25800 5243 1 11 . 1 1 45 45 GLY C C 45 173.500 173.500 173.947 -0.447 25800 5244 1 11 . 1 1 45 45 GLY CA C 45 45.300 45.300 44.786 0.514 25800 5245 1 11 . 1 1 45 45 GLY H H 45 7.820 7.820 7.754 0.066 25800 5246 1 11 . 1 1 46 46 ALA N N 46 123.900 123.900 122.221 1.679 25800 5247 1 11 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.241 0.149 25800 5248 1 11 . 1 1 46 46 ALA C C 46 176.100 176.100 175.633 0.467 25800 5249 1 11 . 1 1 46 46 ALA CA C 46 51.900 51.900 51.833 0.067 25800 5250 1 11 . 1 1 46 46 ALA CB C 46 19.800 19.800 19.900 -0.100 25800 5251 1 11 . 1 1 46 46 ALA H H 46 7.440 7.440 7.813 -0.373 25800 5252 1 11 . 1 1 47 47 ALA N N 47 123.100 123.100 122.829 0.271 25800 5253 1 11 . 1 1 47 47 ALA HA H 47 5.200 5.200 5.062 0.138 25800 5254 1 11 . 1 1 47 47 ALA C C 47 176.100 176.100 175.602 0.498 25800 5255 1 11 . 1 1 47 47 ALA CA C 47 50.900 50.900 49.988 0.912 25800 5256 1 11 . 1 1 47 47 ALA CB C 47 21.900 21.900 22.041 -0.141 25800 5257 1 11 . 1 1 47 47 ALA H H 47 8.350 8.350 7.901 0.449 25800 5258 1 11 . 1 1 48 48 PHE N N 48 118.700 118.700 117.745 0.955 25800 5259 1 11 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.325 -0.295 25800 5260 1 11 . 1 1 48 48 PHE C C 48 171.600 171.600 174.209 -2.609 25800 5261 1 11 . 1 1 48 48 PHE CA C 48 55.700 55.700 56.718 -1.018 25800 5262 1 11 . 1 1 48 48 PHE CB C 48 41.200 41.200 43.099 -1.899 25800 5263 1 11 . 1 1 48 48 PHE H H 48 8.550 8.550 9.042 -0.492 25800 5264 1 11 . 1 1 49 49 ALA N N 49 120.400 120.400 124.823 -4.423 25800 5265 1 11 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.234 0.096 25800 5266 1 11 . 1 1 49 49 ALA C C 49 175.500 175.500 175.497 0.003 25800 5267 1 11 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.312 -1.012 25800 5268 1 11 . 1 1 49 49 ALA CB C 49 23.700 23.700 21.350 2.350 25800 5269 1 11 . 1 1 49 49 ALA H H 49 9.240 9.240 8.920 0.320 25800 5270 1 11 . 1 1 50 50 PHE N N 50 115.000 115.000 120.039 -5.039 25800 5271 1 11 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.553 0.047 25800 5272 1 11 . 1 1 50 50 PHE C C 50 176.000 176.000 174.278 1.722 25800 5273 1 11 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.422 0.078 25800 5274 1 11 . 1 1 50 50 PHE CB C 50 42.200 42.200 43.288 -1.087 25800 5275 1 11 . 1 1 50 50 PHE H H 50 7.920 7.920 8.956 -1.036 25800 5276 1 11 . 1 1 51 51 ILE N N 51 123.000 123.000 122.030 0.970 25800 5277 1 11 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.649 -0.199 25800 5278 1 11 . 1 1 51 51 ILE C C 51 173.700 173.700 174.472 -0.772 25800 5279 1 11 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.558 -0.358 25800 5280 1 11 . 1 1 51 51 ILE CB C 51 40.700 40.700 40.499 0.201 25800 5281 1 11 . 1 1 51 51 ILE H H 51 8.490 8.490 8.837 -0.347 25800 5282 1 11 . 1 1 52 52 GLU N N 52 126.600 126.600 127.444 -0.844 25800 5283 1 11 . 1 1 52 52 GLU HA H 52 4.770 4.770 4.846 -0.076 25800 5284 1 11 . 1 1 52 52 GLU C C 52 175.300 175.300 175.250 0.050 25800 5285 1 11 . 1 1 52 52 GLU CA C 52 54.700 54.700 56.337 -1.637 25800 5286 1 11 . 1 1 52 52 GLU CB C 52 31.500 31.500 31.662 -0.162 25800 5287 1 11 . 1 1 52 52 GLU H H 52 8.610 8.610 9.123 -0.513 25800 5288 1 11 . 1 1 53 53 PHE N N 53 126.100 126.100 125.513 0.587 25800 5289 1 11 . 1 1 53 53 PHE HA H 53 4.800 4.800 5.162 -0.362 25800 5290 1 11 . 1 1 53 53 PHE C C 53 175.400 175.400 175.108 0.292 25800 5291 1 11 . 1 1 53 53 PHE CA C 53 58.200 58.200 56.456 1.744 25800 5292 1 11 . 1 1 53 53 PHE CB C 53 40.900 40.900 43.556 -2.656 25800 5293 1 11 . 1 1 53 53 PHE H H 53 8.800 8.800 8.995 -0.195 25800 5294 1 11 . 1 1 54 54 GLU N N 54 120.700 120.700 120.828 -0.128 25800 5295 1 11 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.294 -0.364 25800 5296 1 11 . 1 1 54 54 GLU C C 54 175.300 175.300 175.899 -0.599 25800 5297 1 11 . 1 1 54 54 GLU CA C 54 59.100 59.100 57.424 1.676 25800 5298 1 11 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.323 0.477 25800 5299 1 11 . 1 1 54 54 GLU H H 54 8.160 8.160 8.142 0.018 25800 5300 1 11 . 1 1 55 55 ASP N N 55 117.900 117.900 120.925 -3.025 25800 5301 1 11 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.925 -0.005 25800 5302 1 11 . 1 1 55 55 ASP C C 55 176.400 176.400 175.552 0.848 25800 5303 1 11 . 1 1 55 55 ASP CA C 55 52.400 52.400 53.317 -0.917 25800 5304 1 11 . 1 1 55 55 ASP CB C 55 44.400 44.400 42.051 2.349 25800 5305 1 11 . 1 1 55 55 ASP H H 55 8.740 8.740 8.051 0.689 25800 5306 1 11 . 1 1 56 56 ALA N N 56 128.900 128.900 127.398 1.502 25800 5307 1 11 . 1 1 56 56 ALA HA H 56 3.830 3.830 3.180 0.650 25800 5308 1 11 . 1 1 56 56 ALA C C 56 179.800 179.800 178.330 1.470 25800 5309 1 11 . 1 1 56 56 ALA CA C 56 55.200 55.200 54.992 0.208 25800 5310 1 11 . 1 1 56 56 ALA CB C 56 18.900 18.900 19.188 -0.288 25800 5311 1 11 . 1 1 56 56 ALA H H 56 8.800 8.800 8.497 0.303 25800 5312 1 11 . 1 1 57 57 ARG N N 57 119.200 119.200 116.453 2.747 25800 5313 1 11 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.127 -0.237 25800 5314 1 11 . 1 1 57 57 ARG C C 57 178.000 178.000 177.133 0.867 25800 5315 1 11 . 1 1 57 57 ARG CA C 57 58.900 58.900 58.728 0.172 25800 5316 1 11 . 1 1 57 57 ARG CB C 57 29.300 29.300 29.457 -0.158 25800 5317 1 11 . 1 1 57 57 ARG H H 57 8.950 8.950 8.410 0.540 25800 5318 1 11 . 1 1 58 58 ASP N N 58 120.900 120.900 120.048 0.852 25800 5319 1 11 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.551 -0.461 25800 5320 1 11 . 1 1 58 58 ASP C C 58 176.700 176.700 177.628 -0.928 25800 5321 1 11 . 1 1 58 58 ASP CA C 58 56.500 56.500 56.545 -0.045 25800 5322 1 11 . 1 1 58 58 ASP CB C 58 39.900 39.900 40.576 -0.676 25800 5323 1 11 . 1 1 58 58 ASP H H 58 7.020 7.020 8.236 -1.216 25800 5324 1 11 . 1 1 59 59 ALA N N 59 119.700 119.700 122.185 -2.485 25800 5325 1 11 . 1 1 59 59 ALA HA H 59 3.080 3.080 4.613 -1.533 25800 5326 1 11 . 1 1 59 59 ALA C C 59 178.100 178.100 179.612 -1.512 25800 5327 1 11 . 1 1 59 59 ALA CA C 59 54.300 54.300 54.802 -0.502 25800 5328 1 11 . 1 1 59 59 ALA CB C 59 18.400 18.400 18.709 -0.309 25800 5329 1 11 . 1 1 59 59 ALA H H 59 6.440 6.440 7.645 -1.205 25800 5330 1 11 . 1 1 60 60 ALA N N 60 117.600 117.600 121.173 -3.573 25800 5331 1 11 . 1 1 60 60 ALA HA H 60 3.830 3.830 4.156 -0.326 25800 5332 1 11 . 1 1 60 60 ALA C C 60 180.900 180.900 178.983 1.917 25800 5333 1 11 . 1 1 60 60 ALA CA C 60 54.900 54.900 55.694 -0.794 25800 5334 1 11 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.330 -0.630 25800 5335 1 11 . 1 1 60 60 ALA H H 60 7.330 7.330 8.584 -1.254 25800 5336 1 11 . 1 1 61 61 ASP N N 61 120.100 120.100 117.667 2.433 25800 5337 1 11 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.477 -0.267 25800 5338 1 11 . 1 1 61 61 ASP C C 61 176.700 176.700 177.476 -0.776 25800 5339 1 11 . 1 1 61 61 ASP CA C 61 57.100 57.100 56.613 0.487 25800 5340 1 11 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.688 -0.588 25800 5341 1 11 . 1 1 61 61 ASP H H 61 7.590 7.590 8.275 -0.685 25800 5342 1 11 . 1 1 62 62 ALA N N 62 122.200 122.200 121.681 0.519 25800 5343 1 11 . 1 1 62 62 ALA HA H 62 2.420 2.420 4.245 -1.825 25800 5344 1 11 . 1 1 62 62 ALA C C 62 179.300 179.300 179.308 -0.008 25800 5345 1 11 . 1 1 62 62 ALA CA C 62 54.600 54.600 54.134 0.466 25800 5346 1 11 . 1 1 62 62 ALA CB C 62 19.100 19.100 19.027 0.073 25800 5347 1 11 . 1 1 62 62 ALA H H 62 7.440 7.440 7.451 -0.011 25800 5348 1 11 . 1 1 63 63 ILE N N 63 116.700 116.700 119.517 -2.817 25800 5349 1 11 . 1 1 63 63 ILE HA H 63 3.240 3.240 4.180 -0.940 25800 5350 1 11 . 1 1 63 63 ILE C C 63 177.800 177.800 177.879 -0.079 25800 5351 1 11 . 1 1 63 63 ILE CA C 63 65.600 65.600 62.684 2.916 25800 5352 1 11 . 1 1 63 63 ILE CB C 63 38.900 38.900 38.011 0.889 25800 5353 1 11 . 1 1 63 63 ILE H H 63 7.540 7.540 8.538 -0.998 25800 5354 1 11 . 1 1 64 64 LYS N N 64 117.400 117.400 120.213 -2.813 25800 5355 1 11 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.096 -0.196 25800 5356 1 11 . 1 1 64 64 LYS C C 64 178.900 178.900 178.277 0.623 25800 5357 1 11 . 1 1 64 64 LYS CA C 64 58.800 58.800 59.112 -0.312 25800 5358 1 11 . 1 1 64 64 LYS CB C 64 32.600 32.600 31.521 1.079 25800 5359 1 11 . 1 1 64 64 LYS H H 64 7.490 7.490 8.493 -1.003 25800 5360 1 11 . 1 1 65 65 GLU N N 65 113.800 113.800 117.754 -3.954 25800 5361 1 11 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.279 -0.119 25800 5362 1 11 . 1 1 65 65 GLU C C 65 178.300 178.300 177.455 0.845 25800 5363 1 11 . 1 1 65 65 GLU CA C 65 58.300 58.300 58.124 0.176 25800 5364 1 11 . 1 1 65 65 GLU CB C 65 30.700 30.700 28.563 2.137 25800 5365 1 11 . 1 1 65 65 GLU H H 65 7.960 7.960 8.325 -0.365 25800 5366 1 11 . 1 1 66 66 LYS N N 66 114.700 114.700 118.288 -3.588 25800 5367 1 11 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.522 -0.052 25800 5368 1 11 . 1 1 66 66 LYS C C 66 177.500 177.500 176.555 0.945 25800 5369 1 11 . 1 1 66 66 LYS CA C 66 54.400 54.400 55.298 -0.898 25800 5370 1 11 . 1 1 66 66 LYS CB C 66 33.000 33.000 32.351 0.649 25800 5371 1 11 . 1 1 66 66 LYS H H 66 8.050 8.050 7.774 0.276 25800 5372 1 11 . 1 1 67 67 ASP N N 67 118.800 118.800 120.765 -1.965 25800 5373 1 11 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.484 -0.264 25800 5374 1 11 . 1 1 67 67 ASP C C 67 177.700 177.700 177.564 0.136 25800 5375 1 11 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.424 3.976 25800 5376 1 11 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.171 0.229 25800 5377 1 11 . 1 1 67 67 ASP H H 67 7.620 7.620 7.534 0.086 25800 5378 1 11 . 1 1 68 68 GLY N N 68 115.600 115.600 108.009 7.591 25800 5379 1 11 . 1 1 68 68 GLY C C 68 173.800 173.800 174.722 -0.922 25800 5380 1 11 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.685 1.215 25800 5381 1 11 . 1 1 68 68 GLY H H 68 8.470 8.470 8.614 -0.144 25800 5382 1 11 . 1 1 69 69 CYS N N 69 119.200 119.200 120.224 -1.024 25800 5383 1 11 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.758 -0.598 25800 5384 1 11 . 1 1 69 69 CYS C C 69 172.600 172.600 174.700 -2.100 25800 5385 1 11 . 1 1 69 69 CYS CA C 69 58.000 58.000 57.708 0.292 25800 5386 1 11 . 1 1 69 69 CYS CB C 69 28.700 28.700 28.971 -0.271 25800 5387 1 11 . 1 1 69 69 CYS H H 69 7.890 7.890 8.244 -0.354 25800 5388 1 11 . 1 1 70 70 ASP N N 70 122.200 122.200 125.511 -3.311 25800 5389 1 11 . 1 1 70 70 ASP HA H 70 4.830 4.830 5.033 -0.203 25800 5390 1 11 . 1 1 70 70 ASP C C 70 176.400 176.400 174.970 1.430 25800 5391 1 11 . 1 1 70 70 ASP CA C 70 54.700 54.700 54.080 0.620 25800 5392 1 11 . 1 1 70 70 ASP CB C 70 42.700 42.700 42.928 -0.228 25800 5393 1 11 . 1 1 70 70 ASP H H 70 8.360 8.360 8.572 -0.212 25800 5394 1 11 . 1 1 71 71 PHE N N 71 127.600 127.600 121.230 6.370 25800 5395 1 11 . 1 1 71 71 PHE HA H 71 4.600 4.600 5.149 -0.549 25800 5396 1 11 . 1 1 71 71 PHE C C 71 173.600 173.600 174.773 -1.173 25800 5397 1 11 . 1 1 71 71 PHE CA C 71 56.800 56.800 56.374 0.426 25800 5398 1 11 . 1 1 71 71 PHE CB C 71 40.700 40.700 41.544 -0.844 25800 5399 1 11 . 1 1 71 71 PHE H H 71 9.390 9.390 7.952 1.438 25800 5400 1 11 . 1 1 72 72 GLU N N 72 123.900 123.900 120.292 3.608 25800 5401 1 11 . 1 1 72 72 GLU HA H 72 3.540 3.540 4.044 -0.504 25800 5402 1 11 . 1 1 72 72 GLU C C 72 175.500 175.500 176.884 -1.384 25800 5403 1 11 . 1 1 72 72 GLU CA C 72 56.700 56.700 56.443 0.257 25800 5404 1 11 . 1 1 72 72 GLU CB C 72 27.300 27.300 29.197 -1.897 25800 5405 1 11 . 1 1 72 72 GLU H H 72 8.940 8.940 9.210 -0.270 25800 5406 1 11 . 1 1 73 73 GLY N N 73 105.200 105.200 112.299 -7.099 25800 5407 1 11 . 1 1 73 73 GLY C C 73 174.100 174.100 174.510 -0.410 25800 5408 1 11 . 1 1 73 73 GLY CA C 73 45.600 45.600 45.303 0.296 25800 5409 1 11 . 1 1 73 73 GLY H H 73 8.350 8.350 8.734 -0.384 25800 5410 1 11 . 1 1 74 74 ASN N N 74 121.000 121.000 122.399 -1.399 25800 5411 1 11 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.686 0.074 25800 5412 1 11 . 1 1 74 74 ASN C C 74 174.000 174.000 174.154 -0.154 25800 5413 1 11 . 1 1 74 74 ASN CA C 74 50.900 50.900 53.323 -2.423 25800 5414 1 11 . 1 1 74 74 ASN CB C 74 39.700 39.700 39.151 0.549 25800 5415 1 11 . 1 1 74 74 ASN H H 74 7.740 7.740 8.008 -0.268 25800 5416 1 11 . 1 1 75 75 LYS N N 75 121.400 121.400 120.569 0.831 25800 5417 1 11 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.684 -0.214 25800 5418 1 11 . 1 1 75 75 LYS C C 75 176.900 176.900 175.155 1.745 25800 5419 1 11 . 1 1 75 75 LYS CA C 75 55.300 55.300 56.301 -1.001 25800 5420 1 11 . 1 1 75 75 LYS CB C 75 31.900 31.900 33.618 -1.718 25800 5421 1 11 . 1 1 75 75 LYS H H 75 8.380 8.380 8.426 -0.046 25800 5422 1 11 . 1 1 76 76 LEU N N 76 127.400 127.400 124.373 3.027 25800 5423 1 11 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.497 -0.067 25800 5424 1 11 . 1 1 76 76 LEU C C 76 177.600 177.600 174.506 3.094 25800 5425 1 11 . 1 1 76 76 LEU CA C 76 55.300 55.300 55.252 0.048 25800 5426 1 11 . 1 1 76 76 LEU CB C 76 43.100 43.100 44.708 -1.608 25800 5427 1 11 . 1 1 76 76 LEU H H 76 8.950 8.950 8.868 0.082 25800 5428 1 11 . 1 1 77 77 ARG N N 77 121.800 121.800 125.593 -3.793 25800 5429 1 11 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.739 0.161 25800 5430 1 11 . 1 1 77 77 ARG C C 77 174.700 174.700 173.935 0.765 25800 5431 1 11 . 1 1 77 77 ARG CA C 77 54.000 54.000 55.949 -1.949 25800 5432 1 11 . 1 1 77 77 ARG CB C 77 32.300 32.300 31.952 0.348 25800 5433 1 11 . 1 1 77 77 ARG H H 77 7.530 7.530 8.665 -1.135 25800 5434 1 11 . 1 1 78 78 VAL N N 78 127.000 127.000 120.745 6.255 25800 5435 1 11 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.534 0.746 25800 5436 1 11 . 1 1 78 78 VAL C C 78 174.200 174.200 174.437 -0.237 25800 5437 1 11 . 1 1 78 78 VAL CA C 78 61.200 61.200 60.586 0.614 25800 5438 1 11 . 1 1 78 78 VAL CB C 78 33.400 33.400 34.132 -0.732 25800 5439 1 11 . 1 1 78 78 VAL H H 78 9.660 9.660 8.494 1.166 25800 5440 1 11 . 1 1 79 79 GLU N N 79 121.900 121.900 126.066 -4.166 25800 5441 1 11 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.591 0.119 25800 5442 1 11 . 1 1 79 79 GLU C C 79 174.600 174.600 173.781 0.819 25800 5443 1 11 . 1 1 79 79 GLU CA C 79 53.900 53.900 56.043 -2.143 25800 5444 1 11 . 1 1 79 79 GLU CB C 79 34.400 34.400 34.172 0.228 25800 5445 1 11 . 1 1 79 79 GLU H H 79 8.980 8.980 8.067 0.913 25800 5446 1 11 . 1 1 80 80 VAL N N 80 121.300 121.300 118.736 2.564 25800 5447 1 11 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.571 -0.201 25800 5448 1 11 . 1 1 80 80 VAL CA C 80 61.000 61.000 58.334 2.666 25800 5449 1 11 . 1 1 80 80 VAL CB C 80 32.100 32.100 33.229 -1.129 25800 5450 1 11 . 1 1 80 80 VAL H H 80 8.410 8.410 8.159 0.251 25800 5451 1 11 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.367 -0.107 25800 5452 1 11 . 1 1 81 81 PRO C C 81 176.100 176.100 177.256 -1.156 25800 5453 1 11 . 1 1 81 81 PRO CA C 81 63.100 63.100 64.993 -1.893 25800 5454 1 11 . 1 1 81 81 PRO CB C 81 32.100 32.100 31.756 0.344 25800 5455 1 11 . 1 1 82 82 PHE N N 82 122.200 122.200 115.281 6.919 25800 5456 1 11 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.656 -0.366 25800 5457 1 11 . 1 1 82 82 PHE C C 82 175.300 175.300 175.711 -0.411 25800 5458 1 11 . 1 1 82 82 PHE CA C 82 58.100 58.100 55.654 2.446 25800 5459 1 11 . 1 1 82 82 PHE CB C 82 39.400 39.400 37.628 1.772 25800 5460 1 11 . 1 1 82 82 PHE H H 82 8.150 8.150 7.718 0.432 25800 5461 1 11 . 1 1 83 83 ASN N N 83 120.800 120.800 122.994 -2.194 25800 5462 1 11 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.638 -0.198 25800 5463 1 11 . 1 1 83 83 ASN C C 83 174.100 174.100 174.679 -0.579 25800 5464 1 11 . 1 1 83 83 ASN CA C 83 52.700 52.700 52.805 -0.105 25800 5465 1 11 . 1 1 83 83 ASN CB C 83 38.700 38.700 36.747 1.953 25800 5466 1 11 . 1 1 83 83 ASN H H 83 8.110 8.110 7.741 0.369 25800 5467 1 11 . 1 1 84 84 ALA N N 84 123.700 123.700 121.165 2.535 25800 5468 1 11 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.562 -0.482 25800 5469 1 11 . 1 1 84 84 ALA C C 84 177.100 177.100 176.944 0.156 25800 5470 1 11 . 1 1 84 84 ALA CA C 84 52.400 52.400 53.066 -0.666 25800 5471 1 11 . 1 1 84 84 ALA CB C 84 19.100 19.100 19.805 -0.705 25800 5472 1 11 . 1 1 84 84 ALA H H 84 8.020 8.020 8.219 -0.199 25800 5473 1 11 . 1 1 85 85 ARG N N 85 120.200 120.200 120.128 0.072 25800 5474 1 11 . 1 1 85 85 ARG HA H 85 4.150 4.150 4.579 -0.429 25800 5475 1 11 . 1 1 85 85 ARG C C 85 175.200 175.200 175.557 -0.357 25800 5476 1 11 . 1 1 85 85 ARG CA C 85 56.000 56.000 55.715 0.285 25800 5477 1 11 . 1 1 85 85 ARG CB C 85 30.800 30.800 30.384 0.416 25800 5478 1 11 . 1 1 85 85 ARG H H 85 8.040 8.040 8.815 -0.775 25800 5479 1 12 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.738 -0.148 25800 5480 1 12 . 1 1 0 0 HIS C C 0 174.000 174.000 174.214 -0.214 25800 5481 1 12 . 1 1 0 0 HIS CA C 0 55.300 55.300 55.323 -0.023 25800 5482 1 12 . 1 1 0 0 HIS CB C 0 29.300 29.300 30.054 -0.754 25800 5483 1 12 . 1 1 1 1 MET N N 1 122.400 122.400 118.920 3.480 25800 5484 1 12 . 1 1 1 1 MET HA H 1 4.340 4.340 4.529 -0.189 25800 5485 1 12 . 1 1 1 1 MET C C 1 175.600 175.600 176.210 -0.610 25800 5486 1 12 . 1 1 1 1 MET CA C 1 55.600 55.600 55.599 0.001 25800 5487 1 12 . 1 1 1 1 MET CB C 1 32.800 32.800 33.296 -0.496 25800 5488 1 12 . 1 1 1 1 MET H H 1 8.310 8.310 8.686 -0.376 25800 5489 1 12 . 1 1 2 2 VAL N N 2 123.200 123.200 117.928 5.272 25800 5490 1 12 . 1 1 2 2 VAL HA H 2 3.960 3.960 3.802 0.158 25800 5491 1 12 . 1 1 2 2 VAL C C 2 175.600 175.600 175.826 -0.226 25800 5492 1 12 . 1 1 2 2 VAL CA C 2 62.300 62.300 62.772 -0.472 25800 5493 1 12 . 1 1 2 2 VAL CB C 2 32.300 32.300 29.939 2.361 25800 5494 1 12 . 1 1 2 2 VAL H H 2 8.180 8.180 8.027 0.153 25800 5495 1 12 . 1 1 3 3 ILE N N 3 126.200 126.200 113.823 12.377 25800 5496 1 12 . 1 1 3 3 ILE HA H 3 4.050 4.050 4.063 -0.013 25800 5497 1 12 . 1 1 3 3 ILE C C 3 175.800 175.800 176.746 -0.946 25800 5498 1 12 . 1 1 3 3 ILE CA C 3 60.700 60.700 62.464 -1.764 25800 5499 1 12 . 1 1 3 3 ILE CB C 3 38.300 38.300 37.623 0.677 25800 5500 1 12 . 1 1 3 3 ILE H H 3 8.230 8.230 7.909 0.321 25800 5501 1 12 . 1 1 4 4 ARG N N 4 126.100 126.100 121.760 4.340 25800 5502 1 12 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.398 -0.218 25800 5503 1 12 . 1 1 4 4 ARG C C 4 175.900 175.900 177.239 -1.339 25800 5504 1 12 . 1 1 4 4 ARG CA C 4 56.000 56.000 55.834 0.166 25800 5505 1 12 . 1 1 4 4 ARG CB C 4 30.700 30.700 31.130 -0.430 25800 5506 1 12 . 1 1 4 4 ARG H H 4 8.360 8.360 7.663 0.697 25800 5507 1 12 . 1 1 5 5 GLU N N 5 122.200 122.200 118.300 3.900 25800 5508 1 12 . 1 1 5 5 GLU HA H 5 4.140 4.140 4.104 0.036 25800 5509 1 12 . 1 1 5 5 GLU C C 5 176.100 176.100 174.927 1.173 25800 5510 1 12 . 1 1 5 5 GLU CA C 5 56.600 56.600 57.709 -1.109 25800 5511 1 12 . 1 1 5 5 GLU CB C 5 30.300 30.300 28.844 1.456 25800 5512 1 12 . 1 1 5 5 GLU H H 5 8.400 8.400 8.790 -0.390 25800 5513 1 12 . 1 1 6 6 SER N N 6 116.200 116.200 109.865 6.335 25800 5514 1 12 . 1 1 6 6 SER HA H 6 4.350 4.350 4.632 -0.282 25800 5515 1 12 . 1 1 6 6 SER C C 6 174.300 174.300 172.835 1.465 25800 5516 1 12 . 1 1 6 6 SER CA C 6 58.200 58.200 57.249 0.951 25800 5517 1 12 . 1 1 6 6 SER CB C 6 63.800 63.800 66.162 -2.362 25800 5518 1 12 . 1 1 6 6 SER H H 6 8.270 8.270 7.476 0.794 25800 5519 1 12 . 1 1 7 7 VAL N N 7 119.800 119.800 120.271 -0.471 25800 5520 1 12 . 1 1 7 7 VAL HA H 7 4.300 4.300 4.309 -0.009 25800 5521 1 12 . 1 1 7 7 VAL C C 7 175.500 175.500 174.896 0.604 25800 5522 1 12 . 1 1 7 7 VAL CA C 7 61.700 61.700 61.903 -0.203 25800 5523 1 12 . 1 1 7 7 VAL CB C 7 32.800 32.800 34.180 -1.380 25800 5524 1 12 . 1 1 7 7 VAL H H 7 7.840 7.840 8.392 -0.552 25800 5525 1 12 . 1 1 8 8 SER N N 8 117.800 117.800 117.896 -0.096 25800 5526 1 12 . 1 1 8 8 SER HA H 8 4.240 4.240 4.715 -0.475 25800 5527 1 12 . 1 1 8 8 SER C C 8 172.500 172.500 172.660 -0.160 25800 5528 1 12 . 1 1 8 8 SER CA C 8 58.500 58.500 57.600 0.900 25800 5529 1 12 . 1 1 8 8 SER CB C 8 63.600 63.600 63.906 -0.306 25800 5530 1 12 . 1 1 8 8 SER H H 8 8.530 8.530 8.254 0.276 25800 5531 1 12 . 1 1 9 9 ARG N N 9 123.000 123.000 124.468 -1.468 25800 5532 1 12 . 1 1 9 9 ARG HA H 9 5.500 5.500 5.135 0.365 25800 5533 1 12 . 1 1 9 9 ARG C C 9 175.000 175.000 174.898 0.102 25800 5534 1 12 . 1 1 9 9 ARG CA C 9 54.300 54.300 54.271 0.029 25800 5535 1 12 . 1 1 9 9 ARG CB C 9 33.400 33.400 33.608 -0.207 25800 5536 1 12 . 1 1 9 9 ARG H H 9 7.350 7.350 7.920 -0.570 25800 5537 1 12 . 1 1 10 10 ILE N N 10 114.000 114.000 121.219 -7.219 25800 5538 1 12 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.447 0.373 25800 5539 1 12 . 1 1 10 10 ILE C C 10 173.000 173.000 175.014 -2.014 25800 5540 1 12 . 1 1 10 10 ILE CA C 10 59.400 59.400 61.362 -1.962 25800 5541 1 12 . 1 1 10 10 ILE CB C 10 40.900 40.900 39.548 1.352 25800 5542 1 12 . 1 1 10 10 ILE H H 10 8.830 8.830 8.726 0.104 25800 5543 1 12 . 1 1 11 11 TYR N N 11 123.400 123.400 126.082 -2.682 25800 5544 1 12 . 1 1 11 11 TYR HA H 11 4.930 4.930 4.861 0.069 25800 5545 1 12 . 1 1 11 11 TYR C C 11 173.000 173.000 173.258 -0.258 25800 5546 1 12 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.796 0.204 25800 5547 1 12 . 1 1 11 11 TYR CB C 11 40.900 40.900 42.325 -1.425 25800 5548 1 12 . 1 1 11 11 TYR H H 11 8.690 8.690 8.005 0.685 25800 5549 1 12 . 1 1 12 12 VAL N N 12 126.300 126.300 124.221 2.079 25800 5550 1 12 . 1 1 12 12 VAL HA H 12 4.560 4.560 3.853 0.708 25800 5551 1 12 . 1 1 12 12 VAL C C 12 174.100 174.100 173.910 0.190 25800 5552 1 12 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.700 -0.500 25800 5553 1 12 . 1 1 12 12 VAL CB C 12 33.400 33.400 34.724 -1.324 25800 5554 1 12 . 1 1 12 12 VAL H H 12 8.370 8.370 7.646 0.724 25800 5555 1 12 . 1 1 13 13 GLY N N 13 113.000 113.000 111.398 1.602 25800 5556 1 12 . 1 1 13 13 GLY C C 13 173.100 173.100 173.436 -0.336 25800 5557 1 12 . 1 1 13 13 GLY CA C 13 43.300 43.300 43.545 -0.245 25800 5558 1 12 . 1 1 13 13 GLY H H 13 9.350 9.350 8.366 0.984 25800 5559 1 12 . 1 1 14 14 ASN N N 14 113.900 113.900 117.494 -3.594 25800 5560 1 12 . 1 1 14 14 ASN HA H 14 4.280 4.280 4.041 0.239 25800 5561 1 12 . 1 1 14 14 ASN C C 14 175.800 175.800 175.039 0.761 25800 5562 1 12 . 1 1 14 14 ASN CA C 14 53.600 53.600 53.678 -0.078 25800 5563 1 12 . 1 1 14 14 ASN CB C 14 37.700 37.700 36.582 1.118 25800 5564 1 12 . 1 1 14 14 ASN H H 14 8.800 8.800 8.567 0.233 25800 5565 1 12 . 1 1 15 15 LEU N N 15 115.800 115.800 121.031 -5.231 25800 5566 1 12 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.192 0.798 25800 5567 1 12 . 1 1 15 15 LEU CA C 15 55.600 55.600 53.945 1.655 25800 5568 1 12 . 1 1 15 15 LEU CB C 15 41.600 41.600 42.937 -1.337 25800 5569 1 12 . 1 1 15 15 LEU H H 15 7.150 7.150 7.681 -0.531 25800 5570 1 12 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.474 -0.404 25800 5571 1 12 . 1 1 16 16 PRO C C 16 171.500 171.500 176.789 -5.289 25800 5572 1 12 . 1 1 16 16 PRO CA C 16 62.500 62.500 62.910 -0.410 25800 5573 1 12 . 1 1 16 16 PRO CB C 16 32.000 32.000 31.455 0.545 25800 5574 1 12 . 1 1 17 17 SER N N 17 115.200 115.200 117.395 -2.195 25800 5575 1 12 . 1 1 17 17 SER HA H 17 4.300 4.300 4.125 0.175 25800 5576 1 12 . 1 1 17 17 SER C C 17 174.200 174.200 173.308 0.892 25800 5577 1 12 . 1 1 17 17 SER CA C 17 58.200 58.200 58.433 -0.233 25800 5578 1 12 . 1 1 17 17 SER CB C 17 63.900 63.900 63.606 0.294 25800 5579 1 12 . 1 1 17 17 SER H H 17 8.470 8.470 8.349 0.121 25800 5580 1 12 . 1 1 18 18 HIS N N 18 120.800 120.800 118.686 2.114 25800 5581 1 12 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.703 -0.153 25800 5582 1 12 . 1 1 18 18 HIS C C 18 175.100 175.100 174.989 0.111 25800 5583 1 12 . 1 1 18 18 HIS CA C 18 55.500 55.500 55.084 0.416 25800 5584 1 12 . 1 1 18 18 HIS CB C 18 29.300 29.300 29.357 -0.057 25800 5585 1 12 . 1 1 18 18 HIS H H 18 8.540 8.540 8.268 0.273 25800 5586 1 12 . 1 1 19 19 VAL N N 19 115.700 115.700 121.828 -6.128 25800 5587 1 12 . 1 1 19 19 VAL HA H 19 4.260 4.260 4.219 0.041 25800 5588 1 12 . 1 1 19 19 VAL C C 19 174.000 174.000 175.843 -1.843 25800 5589 1 12 . 1 1 19 19 VAL CA C 19 61.900 61.900 61.949 -0.049 25800 5590 1 12 . 1 1 19 19 VAL CB C 19 32.600 32.600 32.732 -0.132 25800 5591 1 12 . 1 1 19 19 VAL H H 19 6.650 6.650 7.913 -1.263 25800 5592 1 12 . 1 1 20 20 SER N N 20 118.800 118.800 120.731 -1.931 25800 5593 1 12 . 1 1 20 20 SER HA H 20 4.710 4.710 4.669 0.041 25800 5594 1 12 . 1 1 20 20 SER C C 20 175.900 175.900 175.959 -0.059 25800 5595 1 12 . 1 1 20 20 SER CA C 20 55.800 55.800 57.619 -1.819 25800 5596 1 12 . 1 1 20 20 SER CB C 20 66.600 66.600 64.499 2.101 25800 5597 1 12 . 1 1 20 20 SER H H 20 8.930 8.930 8.454 0.476 25800 5598 1 12 . 1 1 21 21 SER N N 21 117.100 117.100 122.731 -5.631 25800 5599 1 12 . 1 1 21 21 SER HA H 21 3.880 3.880 3.980 -0.100 25800 5600 1 12 . 1 1 21 21 SER C C 21 176.200 176.200 176.408 -0.208 25800 5601 1 12 . 1 1 21 21 SER CA C 21 62.300 62.300 61.473 0.827 25800 5602 1 12 . 1 1 21 21 SER CB C 21 66.800 66.800 62.678 4.122 25800 5603 1 12 . 1 1 21 21 SER H H 21 9.080 9.080 9.022 0.058 25800 5604 1 12 . 1 1 22 22 ARG N N 22 121.200 121.200 119.391 1.809 25800 5605 1 12 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.240 -0.250 25800 5606 1 12 . 1 1 22 22 ARG C C 22 177.900 177.900 178.095 -0.195 25800 5607 1 12 . 1 1 22 22 ARG CA C 22 58.700 58.700 58.501 0.199 25800 5608 1 12 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.034 0.566 25800 5609 1 12 . 1 1 22 22 ARG H H 22 7.940 7.940 8.681 -0.741 25800 5610 1 12 . 1 1 23 23 ASP N N 23 118.800 118.800 121.204 -2.404 25800 5611 1 12 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.588 -0.198 25800 5612 1 12 . 1 1 23 23 ASP C C 23 179.200 179.200 178.571 0.629 25800 5613 1 12 . 1 1 23 23 ASP CA C 23 57.300 57.300 57.057 0.242 25800 5614 1 12 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.223 0.777 25800 5615 1 12 . 1 1 23 23 ASP H H 23 7.480 7.480 7.476 0.004 25800 5616 1 12 . 1 1 24 24 VAL N N 24 119.500 119.500 120.573 -1.073 25800 5617 1 12 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.754 -0.384 25800 5618 1 12 . 1 1 24 24 VAL C C 24 177.500 177.500 177.516 -0.016 25800 5619 1 12 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.871 0.029 25800 5620 1 12 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.593 -0.193 25800 5621 1 12 . 1 1 24 24 VAL H H 24 7.450 7.450 7.977 -0.527 25800 5622 1 12 . 1 1 25 25 GLU N N 25 121.400 121.400 120.016 1.384 25800 5623 1 12 . 1 1 25 25 GLU HA H 25 3.570 3.570 3.840 -0.270 25800 5624 1 12 . 1 1 25 25 GLU C C 25 178.400 178.400 178.613 -0.213 25800 5625 1 12 . 1 1 25 25 GLU CA C 25 60.600 60.600 60.029 0.571 25800 5626 1 12 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.425 0.175 25800 5627 1 12 . 1 1 25 25 GLU H H 25 8.580 8.580 8.522 0.058 25800 5628 1 12 . 1 1 26 26 ASN N N 26 114.800 114.800 117.254 -2.454 25800 5629 1 12 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.477 -0.157 25800 5630 1 12 . 1 1 26 26 ASN C C 26 177.400 177.400 177.445 -0.045 25800 5631 1 12 . 1 1 26 26 ASN CA C 26 55.900 55.900 56.000 -0.100 25800 5632 1 12 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.638 -0.738 25800 5633 1 12 . 1 1 26 26 ASN H H 26 8.180 8.180 8.052 0.128 25800 5634 1 12 . 1 1 27 27 GLU N N 27 118.900 118.900 119.677 -0.777 25800 5635 1 12 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.166 -0.026 25800 5636 1 12 . 1 1 27 27 GLU C C 27 176.400 176.400 179.326 -2.926 25800 5637 1 12 . 1 1 27 27 GLU CA C 27 57.400 57.400 59.166 -1.766 25800 5638 1 12 . 1 1 27 27 GLU CB C 27 29.400 29.400 30.147 -0.747 25800 5639 1 12 . 1 1 27 27 GLU H H 27 7.340 7.340 7.845 -0.505 25800 5640 1 12 . 1 1 28 28 PHE N N 28 114.100 114.100 119.017 -4.917 25800 5641 1 12 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.891 -0.341 25800 5642 1 12 . 1 1 28 28 PHE C C 28 176.300 176.300 178.001 -1.701 25800 5643 1 12 . 1 1 28 28 PHE CA C 28 60.000 60.000 60.111 -0.111 25800 5644 1 12 . 1 1 28 28 PHE CB C 28 40.800 40.800 39.005 1.796 25800 5645 1 12 . 1 1 28 28 PHE H H 28 7.660 7.660 8.680 -1.020 25800 5646 1 12 . 1 1 29 29 ARG N N 29 121.700 121.700 120.793 0.907 25800 5647 1 12 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.466 -0.056 25800 5648 1 12 . 1 1 29 29 ARG C C 29 177.100 177.100 178.617 -1.517 25800 5649 1 12 . 1 1 29 29 ARG CA C 29 58.200 58.200 58.428 -0.228 25800 5650 1 12 . 1 1 29 29 ARG CB C 29 29.300 29.300 29.449 -0.149 25800 5651 1 12 . 1 1 29 29 ARG H H 29 8.120 8.120 8.319 -0.199 25800 5652 1 12 . 1 1 30 30 LYS N N 30 117.200 117.200 119.204 -2.004 25800 5653 1 12 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.102 -0.272 25800 5654 1 12 . 1 1 30 30 LYS C C 30 177.100 177.100 177.457 -0.357 25800 5655 1 12 . 1 1 30 30 LYS CA C 30 57.800 57.800 58.343 -0.543 25800 5656 1 12 . 1 1 30 30 LYS CB C 30 31.100 31.100 31.344 -0.244 25800 5657 1 12 . 1 1 30 30 LYS H H 30 7.630 7.630 7.702 -0.072 25800 5658 1 12 . 1 1 31 31 TYR N N 31 117.100 117.100 117.854 -0.754 25800 5659 1 12 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.798 -0.648 25800 5660 1 12 . 1 1 31 31 TYR C C 31 174.400 174.400 175.305 -0.905 25800 5661 1 12 . 1 1 31 31 TYR CA C 31 59.900 59.900 57.319 2.581 25800 5662 1 12 . 1 1 31 31 TYR CB C 31 37.900 37.900 38.574 -0.674 25800 5663 1 12 . 1 1 31 31 TYR H H 31 7.410 7.410 7.876 -0.466 25800 5664 1 12 . 1 1 32 32 GLY N N 32 104.100 104.100 106.230 -2.130 25800 5665 1 12 . 1 1 32 32 GLY C C 32 177.000 177.000 172.805 4.195 25800 5666 1 12 . 1 1 32 32 GLY CA C 32 44.500 44.500 44.423 0.077 25800 5667 1 12 . 1 1 32 32 GLY H H 32 7.240 7.240 7.634 -0.394 25800 5668 1 12 . 1 1 33 33 ASN N N 33 115.300 115.300 120.611 -5.311 25800 5669 1 12 . 1 1 33 33 ASN HA H 33 4.440 4.440 5.140 -0.700 25800 5670 1 12 . 1 1 33 33 ASN C C 33 175.500 175.500 175.487 0.013 25800 5671 1 12 . 1 1 33 33 ASN CA C 33 54.300 54.300 52.373 1.927 25800 5672 1 12 . 1 1 33 33 ASN CB C 33 38.400 38.400 38.529 -0.129 25800 5673 1 12 . 1 1 33 33 ASN H H 33 8.460 8.460 8.468 -0.008 25800 5674 1 12 . 1 1 34 34 ILE N N 34 126.700 126.700 123.947 2.753 25800 5675 1 12 . 1 1 34 34 ILE HA H 34 3.790 3.790 4.165 -0.375 25800 5676 1 12 . 1 1 34 34 ILE C C 34 175.600 175.600 175.057 0.543 25800 5677 1 12 . 1 1 34 34 ILE CA C 34 61.300 61.300 62.198 -0.898 25800 5678 1 12 . 1 1 34 34 ILE CB C 34 40.000 40.000 38.684 1.316 25800 5679 1 12 . 1 1 34 34 ILE H H 34 8.050 8.050 8.488 -0.438 25800 5680 1 12 . 1 1 35 35 LEU N N 35 127.400 127.400 127.172 0.228 25800 5681 1 12 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.394 -0.234 25800 5682 1 12 . 1 1 35 35 LEU C C 35 177.200 177.200 177.243 -0.043 25800 5683 1 12 . 1 1 35 35 LEU CA C 35 55.500 55.500 55.907 -0.407 25800 5684 1 12 . 1 1 35 35 LEU CB C 35 42.700 42.700 41.991 0.709 25800 5685 1 12 . 1 1 35 35 LEU H H 35 8.780 8.780 9.034 -0.254 25800 5686 1 12 . 1 1 36 36 LYS N N 36 117.000 117.000 115.926 1.074 25800 5687 1 12 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.507 -0.267 25800 5688 1 12 . 1 1 36 36 LYS C C 36 173.600 173.600 173.734 -0.134 25800 5689 1 12 . 1 1 36 36 LYS CA C 36 55.900 55.900 55.161 0.739 25800 5690 1 12 . 1 1 36 36 LYS CB C 36 36.600 36.600 34.849 1.751 25800 5691 1 12 . 1 1 36 36 LYS H H 36 7.110 7.110 7.537 -0.427 25800 5692 1 12 . 1 1 37 37 CYS N N 37 125.400 125.400 118.965 6.435 25800 5693 1 12 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.594 -0.894 25800 5694 1 12 . 1 1 37 37 CYS C C 37 171.600 171.600 173.103 -1.503 25800 5695 1 12 . 1 1 37 37 CYS CA C 37 57.900 57.900 56.826 1.074 25800 5696 1 12 . 1 1 37 37 CYS CB C 37 27.100 27.100 31.427 -4.327 25800 5697 1 12 . 1 1 37 37 CYS H H 37 8.610 8.610 8.448 0.162 25800 5698 1 12 . 1 1 38 38 ASP N N 38 128.200 128.200 120.988 7.212 25800 5699 1 12 . 1 1 38 38 ASP HA H 38 4.950 4.950 5.016 -0.066 25800 5700 1 12 . 1 1 38 38 ASP C C 38 174.300 174.300 173.811 0.489 25800 5701 1 12 . 1 1 38 38 ASP CA C 38 53.200 53.200 53.521 -0.321 25800 5702 1 12 . 1 1 38 38 ASP CB C 38 44.300 44.300 45.159 -0.859 25800 5703 1 12 . 1 1 38 38 ASP H H 38 8.290 8.290 8.973 -0.683 25800 5704 1 12 . 1 1 39 39 VAL N N 39 123.500 123.500 120.331 3.169 25800 5705 1 12 . 1 1 39 39 VAL HA H 39 4.300 4.300 4.971 -0.671 25800 5706 1 12 . 1 1 39 39 VAL C C 39 175.000 175.000 175.022 -0.022 25800 5707 1 12 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.333 0.367 25800 5708 1 12 . 1 1 39 39 VAL CB C 39 33.100 33.100 34.335 -1.235 25800 5709 1 12 . 1 1 39 39 VAL H H 39 8.380 8.380 8.507 -0.127 25800 5710 1 12 . 1 1 40 40 LYS N N 40 129.100 129.100 126.938 2.162 25800 5711 1 12 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.957 -0.637 25800 5712 1 12 . 1 1 40 40 LYS C C 40 173.700 173.700 174.662 -0.962 25800 5713 1 12 . 1 1 40 40 LYS CA C 40 53.900 53.900 54.459 -0.558 25800 5714 1 12 . 1 1 40 40 LYS CB C 40 35.500 35.500 35.487 0.013 25800 5715 1 12 . 1 1 40 40 LYS H H 40 8.680 8.680 9.270 -0.590 25800 5716 1 12 . 1 1 41 41 LYS N N 41 117.300 117.300 120.437 -3.137 25800 5717 1 12 . 1 1 41 41 LYS HA H 41 4.980 4.980 5.226 -0.246 25800 5718 1 12 . 1 1 41 41 LYS C C 41 177.800 177.800 175.534 2.266 25800 5719 1 12 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.599 0.001 25800 5720 1 12 . 1 1 41 41 LYS CB C 41 35.000 35.000 35.076 -0.076 25800 5721 1 12 . 1 1 41 41 LYS H H 41 7.900 7.900 8.338 -0.438 25800 5722 1 12 . 1 1 42 42 THR N N 42 113.200 113.200 115.860 -2.660 25800 5723 1 12 . 1 1 42 42 THR HA H 42 4.680 4.680 4.636 0.044 25800 5724 1 12 . 1 1 42 42 THR C C 42 176.900 176.900 176.123 0.777 25800 5725 1 12 . 1 1 42 42 THR CA C 42 60.200 60.200 60.657 -0.457 25800 5726 1 12 . 1 1 42 42 THR CB C 42 71.600 71.600 69.868 1.732 25800 5727 1 12 . 1 1 42 42 THR H H 42 8.730 8.730 8.570 0.160 25800 5728 1 12 . 1 1 43 43 VAL N N 43 120.000 120.000 127.609 -7.609 25800 5729 1 12 . 1 1 43 43 VAL HA H 43 3.920 3.920 3.941 -0.021 25800 5730 1 12 . 1 1 43 43 VAL C C 43 177.000 177.000 176.318 0.682 25800 5731 1 12 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.236 0.464 25800 5732 1 12 . 1 1 43 43 VAL CB C 43 31.800 31.800 32.014 -0.214 25800 5733 1 12 . 1 1 43 43 VAL H H 43 8.730 8.730 8.596 0.134 25800 5734 1 12 . 1 1 44 44 SER N N 44 113.400 113.400 113.997 -0.597 25800 5735 1 12 . 1 1 44 44 SER HA H 44 4.360 4.360 4.342 0.018 25800 5736 1 12 . 1 1 44 44 SER C C 44 174.800 174.800 175.203 -0.403 25800 5737 1 12 . 1 1 44 44 SER CA C 44 58.400 58.400 58.673 -0.273 25800 5738 1 12 . 1 1 44 44 SER CB C 44 63.500 63.500 63.497 0.003 25800 5739 1 12 . 1 1 44 44 SER H H 44 7.760 7.760 7.884 -0.124 25800 5740 1 12 . 1 1 45 45 GLY N N 45 110.200 110.200 108.483 1.717 25800 5741 1 12 . 1 1 45 45 GLY C C 45 173.500 173.500 173.847 -0.347 25800 5742 1 12 . 1 1 45 45 GLY CA C 45 45.300 45.300 44.738 0.562 25800 5743 1 12 . 1 1 45 45 GLY H H 45 7.820 7.820 7.721 0.099 25800 5744 1 12 . 1 1 46 46 ALA N N 46 123.900 123.900 122.716 1.184 25800 5745 1 12 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.214 0.176 25800 5746 1 12 . 1 1 46 46 ALA C C 46 176.100 176.100 175.782 0.318 25800 5747 1 12 . 1 1 46 46 ALA CA C 46 51.900 51.900 51.766 0.134 25800 5748 1 12 . 1 1 46 46 ALA CB C 46 19.800 19.800 19.783 0.017 25800 5749 1 12 . 1 1 46 46 ALA H H 46 7.440 7.440 7.814 -0.374 25800 5750 1 12 . 1 1 47 47 ALA N N 47 123.100 123.100 123.980 -0.880 25800 5751 1 12 . 1 1 47 47 ALA HA H 47 5.200 5.200 5.066 0.134 25800 5752 1 12 . 1 1 47 47 ALA C C 47 176.100 176.100 175.703 0.397 25800 5753 1 12 . 1 1 47 47 ALA CA C 47 50.900 50.900 50.092 0.808 25800 5754 1 12 . 1 1 47 47 ALA CB C 47 21.900 21.900 21.778 0.122 25800 5755 1 12 . 1 1 47 47 ALA H H 47 8.350 8.350 8.016 0.334 25800 5756 1 12 . 1 1 48 48 PHE N N 48 118.700 118.700 117.082 1.618 25800 5757 1 12 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.290 -0.260 25800 5758 1 12 . 1 1 48 48 PHE C C 48 171.600 171.600 174.418 -2.818 25800 5759 1 12 . 1 1 48 48 PHE CA C 48 55.700 55.700 56.797 -1.097 25800 5760 1 12 . 1 1 48 48 PHE CB C 48 41.200 41.200 43.038 -1.838 25800 5761 1 12 . 1 1 48 48 PHE H H 48 8.550 8.550 8.928 -0.378 25800 5762 1 12 . 1 1 49 49 ALA N N 49 120.400 120.400 125.443 -5.043 25800 5763 1 12 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.088 0.241 25800 5764 1 12 . 1 1 49 49 ALA C C 49 175.500 175.500 175.496 0.004 25800 5765 1 12 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.700 -1.400 25800 5766 1 12 . 1 1 49 49 ALA CB C 49 23.700 23.700 21.080 2.620 25800 5767 1 12 . 1 1 49 49 ALA H H 49 9.240 9.240 8.339 0.901 25800 5768 1 12 . 1 1 50 50 PHE N N 50 115.000 115.000 119.924 -4.924 25800 5769 1 12 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.281 0.319 25800 5770 1 12 . 1 1 50 50 PHE C C 50 176.000 176.000 174.096 1.904 25800 5771 1 12 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.749 -0.249 25800 5772 1 12 . 1 1 50 50 PHE CB C 50 42.200 42.200 43.647 -1.447 25800 5773 1 12 . 1 1 50 50 PHE H H 50 7.920 7.920 8.914 -0.994 25800 5774 1 12 . 1 1 51 51 ILE N N 51 123.000 123.000 121.225 1.775 25800 5775 1 12 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.673 -0.223 25800 5776 1 12 . 1 1 51 51 ILE C C 51 173.700 173.700 174.242 -0.542 25800 5777 1 12 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.546 -0.346 25800 5778 1 12 . 1 1 51 51 ILE CB C 51 40.700 40.700 41.987 -1.287 25800 5779 1 12 . 1 1 51 51 ILE H H 51 8.490 8.490 8.457 0.033 25800 5780 1 12 . 1 1 52 52 GLU N N 52 126.600 126.600 127.122 -0.522 25800 5781 1 12 . 1 1 52 52 GLU HA H 52 4.770 4.770 4.992 -0.222 25800 5782 1 12 . 1 1 52 52 GLU C C 52 175.300 175.300 174.928 0.372 25800 5783 1 12 . 1 1 52 52 GLU CA C 52 54.700 54.700 55.760 -1.060 25800 5784 1 12 . 1 1 52 52 GLU CB C 52 31.500 31.500 32.032 -0.532 25800 5785 1 12 . 1 1 52 52 GLU H H 52 8.610 8.610 9.032 -0.422 25800 5786 1 12 . 1 1 53 53 PHE N N 53 126.100 126.100 126.076 0.024 25800 5787 1 12 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.981 -0.181 25800 5788 1 12 . 1 1 53 53 PHE C C 53 175.400 175.400 175.035 0.365 25800 5789 1 12 . 1 1 53 53 PHE CA C 53 58.200 58.200 55.319 2.881 25800 5790 1 12 . 1 1 53 53 PHE CB C 53 40.900 40.900 43.395 -2.494 25800 5791 1 12 . 1 1 53 53 PHE H H 53 8.800 8.800 8.871 -0.071 25800 5792 1 12 . 1 1 54 54 GLU N N 54 120.700 120.700 121.640 -0.940 25800 5793 1 12 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.399 -0.469 25800 5794 1 12 . 1 1 54 54 GLU C C 54 175.300 175.300 176.108 -0.808 25800 5795 1 12 . 1 1 54 54 GLU CA C 54 59.100 59.100 57.055 2.045 25800 5796 1 12 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.544 0.256 25800 5797 1 12 . 1 1 54 54 GLU H H 54 8.160 8.160 8.733 -0.573 25800 5798 1 12 . 1 1 55 55 ASP N N 55 117.900 117.900 118.707 -0.807 25800 5799 1 12 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.753 0.167 25800 5800 1 12 . 1 1 55 55 ASP C C 55 176.400 176.400 175.594 0.806 25800 5801 1 12 . 1 1 55 55 ASP CA C 55 52.400 52.400 53.167 -0.767 25800 5802 1 12 . 1 1 55 55 ASP CB C 55 44.400 44.400 42.352 2.048 25800 5803 1 12 . 1 1 55 55 ASP H H 55 8.740 8.740 7.683 1.057 25800 5804 1 12 . 1 1 56 56 ALA N N 56 128.900 128.900 128.628 0.272 25800 5805 1 12 . 1 1 56 56 ALA HA H 56 3.830 3.830 3.043 0.787 25800 5806 1 12 . 1 1 56 56 ALA C C 56 179.800 179.800 178.981 0.819 25800 5807 1 12 . 1 1 56 56 ALA CA C 56 55.200 55.200 54.617 0.583 25800 5808 1 12 . 1 1 56 56 ALA CB C 56 18.900 18.900 19.032 -0.132 25800 5809 1 12 . 1 1 56 56 ALA H H 56 8.800 8.800 8.821 -0.021 25800 5810 1 12 . 1 1 57 57 ARG N N 57 119.200 119.200 115.718 3.482 25800 5811 1 12 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.027 -0.137 25800 5812 1 12 . 1 1 57 57 ARG C C 57 178.000 178.000 177.531 0.469 25800 5813 1 12 . 1 1 57 57 ARG CA C 57 58.900 58.900 58.670 0.230 25800 5814 1 12 . 1 1 57 57 ARG CB C 57 29.300 29.300 30.002 -0.702 25800 5815 1 12 . 1 1 57 57 ARG H H 57 8.950 8.950 8.262 0.688 25800 5816 1 12 . 1 1 58 58 ASP N N 58 120.900 120.900 118.606 2.294 25800 5817 1 12 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.464 -0.374 25800 5818 1 12 . 1 1 58 58 ASP C C 58 176.700 176.700 177.718 -1.018 25800 5819 1 12 . 1 1 58 58 ASP CA C 58 56.500 56.500 56.407 0.093 25800 5820 1 12 . 1 1 58 58 ASP CB C 58 39.900 39.900 40.695 -0.795 25800 5821 1 12 . 1 1 58 58 ASP H H 58 7.020 7.020 7.729 -0.709 25800 5822 1 12 . 1 1 59 59 ALA N N 59 119.700 119.700 121.894 -2.194 25800 5823 1 12 . 1 1 59 59 ALA HA H 59 3.080 3.080 3.881 -0.801 25800 5824 1 12 . 1 1 59 59 ALA C C 59 178.100 178.100 179.101 -1.001 25800 5825 1 12 . 1 1 59 59 ALA CA C 59 54.300 54.300 54.490 -0.190 25800 5826 1 12 . 1 1 59 59 ALA CB C 59 18.400 18.400 18.158 0.242 25800 5827 1 12 . 1 1 59 59 ALA H H 59 6.440 6.440 7.698 -1.258 25800 5828 1 12 . 1 1 60 60 ALA N N 60 117.600 117.600 121.143 -3.543 25800 5829 1 12 . 1 1 60 60 ALA HA H 60 3.830 3.830 3.908 -0.078 25800 5830 1 12 . 1 1 60 60 ALA C C 60 180.900 180.900 178.754 2.146 25800 5831 1 12 . 1 1 60 60 ALA CA C 60 54.900 54.900 54.830 0.070 25800 5832 1 12 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.188 -0.488 25800 5833 1 12 . 1 1 60 60 ALA H H 60 7.330 7.330 7.752 -0.422 25800 5834 1 12 . 1 1 61 61 ASP N N 61 120.100 120.100 117.939 2.161 25800 5835 1 12 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.438 -0.228 25800 5836 1 12 . 1 1 61 61 ASP C C 61 176.700 176.700 177.246 -0.546 25800 5837 1 12 . 1 1 61 61 ASP CA C 61 57.100 57.100 56.441 0.659 25800 5838 1 12 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.442 -0.342 25800 5839 1 12 . 1 1 61 61 ASP H H 61 7.590 7.590 7.728 -0.138 25800 5840 1 12 . 1 1 62 62 ALA N N 62 122.200 122.200 121.748 0.452 25800 5841 1 12 . 1 1 62 62 ALA HA H 62 2.420 2.420 3.804 -1.384 25800 5842 1 12 . 1 1 62 62 ALA C C 62 179.300 179.300 178.884 0.416 25800 5843 1 12 . 1 1 62 62 ALA CA C 62 54.600 54.600 53.909 0.691 25800 5844 1 12 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.689 0.412 25800 5845 1 12 . 1 1 62 62 ALA H H 62 7.440 7.440 7.227 0.213 25800 5846 1 12 . 1 1 63 63 ILE N N 63 116.700 116.700 119.292 -2.592 25800 5847 1 12 . 1 1 63 63 ILE HA H 63 3.240 3.240 3.739 -0.499 25800 5848 1 12 . 1 1 63 63 ILE C C 63 177.800 177.800 177.028 0.772 25800 5849 1 12 . 1 1 63 63 ILE CA C 63 65.600 65.600 63.549 2.051 25800 5850 1 12 . 1 1 63 63 ILE CB C 63 38.900 38.900 37.903 0.997 25800 5851 1 12 . 1 1 63 63 ILE H H 63 7.540 7.540 7.483 0.057 25800 5852 1 12 . 1 1 64 64 LYS N N 64 117.400 117.400 117.893 -0.493 25800 5853 1 12 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.142 -0.242 25800 5854 1 12 . 1 1 64 64 LYS C C 64 178.900 178.900 177.876 1.024 25800 5855 1 12 . 1 1 64 64 LYS CA C 64 58.800 58.800 58.246 0.554 25800 5856 1 12 . 1 1 64 64 LYS CB C 64 32.600 32.600 31.889 0.711 25800 5857 1 12 . 1 1 64 64 LYS H H 64 7.490 7.490 7.692 -0.202 25800 5858 1 12 . 1 1 65 65 GLU N N 65 113.800 113.800 117.699 -3.899 25800 5859 1 12 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.367 -0.207 25800 5860 1 12 . 1 1 65 65 GLU C C 65 178.300 178.300 178.032 0.268 25800 5861 1 12 . 1 1 65 65 GLU CA C 65 58.300 58.300 57.177 1.123 25800 5862 1 12 . 1 1 65 65 GLU CB C 65 30.700 30.700 30.381 0.319 25800 5863 1 12 . 1 1 65 65 GLU H H 65 7.960 7.960 7.833 0.127 25800 5864 1 12 . 1 1 66 66 LYS N N 66 114.700 114.700 119.146 -4.446 25800 5865 1 12 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.365 0.105 25800 5866 1 12 . 1 1 66 66 LYS C C 66 177.500 177.500 176.984 0.516 25800 5867 1 12 . 1 1 66 66 LYS CA C 66 54.400 54.400 55.771 -1.371 25800 5868 1 12 . 1 1 66 66 LYS CB C 66 33.000 33.000 32.134 0.866 25800 5869 1 12 . 1 1 66 66 LYS H H 66 8.050 8.050 7.833 0.217 25800 5870 1 12 . 1 1 67 67 ASP N N 67 118.800 118.800 120.372 -1.572 25800 5871 1 12 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.521 -0.301 25800 5872 1 12 . 1 1 67 67 ASP C C 67 177.700 177.700 176.983 0.717 25800 5873 1 12 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.401 3.999 25800 5874 1 12 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.331 0.069 25800 5875 1 12 . 1 1 67 67 ASP H H 67 7.620 7.620 7.603 0.017 25800 5876 1 12 . 1 1 68 68 GLY N N 68 115.600 115.600 106.767 8.833 25800 5877 1 12 . 1 1 68 68 GLY C C 68 173.800 173.800 174.595 -0.795 25800 5878 1 12 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.644 1.256 25800 5879 1 12 . 1 1 68 68 GLY H H 68 8.470 8.470 8.543 -0.073 25800 5880 1 12 . 1 1 69 69 CYS N N 69 119.200 119.200 119.879 -0.679 25800 5881 1 12 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.730 -0.570 25800 5882 1 12 . 1 1 69 69 CYS C C 69 172.600 172.600 174.794 -2.194 25800 5883 1 12 . 1 1 69 69 CYS CA C 69 58.000 58.000 57.709 0.291 25800 5884 1 12 . 1 1 69 69 CYS CB C 69 28.700 28.700 28.237 0.463 25800 5885 1 12 . 1 1 69 69 CYS H H 69 7.890 7.890 8.088 -0.198 25800 5886 1 12 . 1 1 70 70 ASP N N 70 122.200 122.200 127.003 -4.803 25800 5887 1 12 . 1 1 70 70 ASP HA H 70 4.830 4.830 4.892 -0.062 25800 5888 1 12 . 1 1 70 70 ASP C C 70 176.400 176.400 175.223 1.177 25800 5889 1 12 . 1 1 70 70 ASP CA C 70 54.700 54.700 54.474 0.226 25800 5890 1 12 . 1 1 70 70 ASP CB C 70 42.700 42.700 42.072 0.628 25800 5891 1 12 . 1 1 70 70 ASP H H 70 8.360 8.360 8.450 -0.090 25800 5892 1 12 . 1 1 71 71 PHE N N 71 127.600 127.600 119.554 8.046 25800 5893 1 12 . 1 1 71 71 PHE HA H 71 4.600 4.600 5.100 -0.500 25800 5894 1 12 . 1 1 71 71 PHE C C 71 173.600 173.600 174.633 -1.033 25800 5895 1 12 . 1 1 71 71 PHE CA C 71 56.800 56.800 56.479 0.321 25800 5896 1 12 . 1 1 71 71 PHE CB C 71 40.700 40.700 41.733 -1.034 25800 5897 1 12 . 1 1 71 71 PHE H H 71 9.390 9.390 7.847 1.543 25800 5898 1 12 . 1 1 72 72 GLU N N 72 123.900 123.900 120.221 3.679 25800 5899 1 12 . 1 1 72 72 GLU HA H 72 3.540 3.540 4.164 -0.624 25800 5900 1 12 . 1 1 72 72 GLU C C 72 175.500 175.500 176.477 -0.977 25800 5901 1 12 . 1 1 72 72 GLU CA C 72 56.700 56.700 58.195 -1.495 25800 5902 1 12 . 1 1 72 72 GLU CB C 72 27.300 27.300 28.328 -1.028 25800 5903 1 12 . 1 1 72 72 GLU H H 72 8.940 8.940 9.662 -0.722 25800 5904 1 12 . 1 1 73 73 GLY N N 73 105.200 105.200 109.899 -4.699 25800 5905 1 12 . 1 1 73 73 GLY C C 73 174.100 174.100 173.713 0.387 25800 5906 1 12 . 1 1 73 73 GLY CA C 73 45.600 45.600 45.740 -0.140 25800 5907 1 12 . 1 1 73 73 GLY H H 73 8.350 8.350 8.637 -0.287 25800 5908 1 12 . 1 1 74 74 ASN N N 74 121.000 121.000 118.416 2.584 25800 5909 1 12 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.896 -0.136 25800 5910 1 12 . 1 1 74 74 ASN C C 74 174.000 174.000 173.378 0.622 25800 5911 1 12 . 1 1 74 74 ASN CA C 74 50.900 50.900 52.539 -1.639 25800 5912 1 12 . 1 1 74 74 ASN CB C 74 39.700 39.700 40.798 -1.098 25800 5913 1 12 . 1 1 74 74 ASN H H 74 7.740 7.740 7.974 -0.234 25800 5914 1 12 . 1 1 75 75 LYS N N 75 121.400 121.400 121.238 0.162 25800 5915 1 12 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.580 -0.110 25800 5916 1 12 . 1 1 75 75 LYS C C 75 176.900 176.900 175.085 1.815 25800 5917 1 12 . 1 1 75 75 LYS CA C 75 55.300 55.300 56.151 -0.851 25800 5918 1 12 . 1 1 75 75 LYS CB C 75 31.900 31.900 32.867 -0.967 25800 5919 1 12 . 1 1 75 75 LYS H H 75 8.380 8.380 8.483 -0.103 25800 5920 1 12 . 1 1 76 76 LEU N N 76 127.400 127.400 124.789 2.611 25800 5921 1 12 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.668 -0.238 25800 5922 1 12 . 1 1 76 76 LEU C C 76 177.600 177.600 174.981 2.619 25800 5923 1 12 . 1 1 76 76 LEU CA C 76 55.300 55.300 55.120 0.180 25800 5924 1 12 . 1 1 76 76 LEU CB C 76 43.100 43.100 43.920 -0.820 25800 5925 1 12 . 1 1 76 76 LEU H H 76 8.950 8.950 8.394 0.556 25800 5926 1 12 . 1 1 77 77 ARG N N 77 121.800 121.800 124.476 -2.676 25800 5927 1 12 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.488 0.412 25800 5928 1 12 . 1 1 77 77 ARG C C 77 174.700 174.700 173.840 0.860 25800 5929 1 12 . 1 1 77 77 ARG CA C 77 54.000 54.000 56.842 -2.842 25800 5930 1 12 . 1 1 77 77 ARG CB C 77 32.300 32.300 31.898 0.402 25800 5931 1 12 . 1 1 77 77 ARG H H 77 7.530 7.530 7.899 -0.369 25800 5932 1 12 . 1 1 78 78 VAL N N 78 127.000 127.000 118.757 8.243 25800 5933 1 12 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.365 0.915 25800 5934 1 12 . 1 1 78 78 VAL C C 78 174.200 174.200 174.155 0.045 25800 5935 1 12 . 1 1 78 78 VAL CA C 78 61.200 61.200 60.755 0.445 25800 5936 1 12 . 1 1 78 78 VAL CB C 78 33.400 33.400 33.798 -0.398 25800 5937 1 12 . 1 1 78 78 VAL H H 78 9.660 9.660 8.274 1.386 25800 5938 1 12 . 1 1 79 79 GLU N N 79 121.900 121.900 125.949 -4.049 25800 5939 1 12 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.649 0.061 25800 5940 1 12 . 1 1 79 79 GLU C C 79 174.600 174.600 174.062 0.538 25800 5941 1 12 . 1 1 79 79 GLU CA C 79 53.900 53.900 56.105 -2.205 25800 5942 1 12 . 1 1 79 79 GLU CB C 79 34.400 34.400 34.290 0.110 25800 5943 1 12 . 1 1 79 79 GLU H H 79 8.980 8.980 8.188 0.792 25800 5944 1 12 . 1 1 80 80 VAL N N 80 121.300 121.300 118.910 2.390 25800 5945 1 12 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.778 -0.408 25800 5946 1 12 . 1 1 80 80 VAL CA C 80 61.000 61.000 58.673 2.327 25800 5947 1 12 . 1 1 80 80 VAL CB C 80 32.100 32.100 33.778 -1.678 25800 5948 1 12 . 1 1 80 80 VAL H H 80 8.410 8.410 8.432 -0.022 25800 5949 1 12 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.827 -0.567 25800 5950 1 12 . 1 1 81 81 PRO C C 81 176.100 176.100 175.546 0.554 25800 5951 1 12 . 1 1 81 81 PRO CA C 81 63.100 63.100 62.852 0.248 25800 5952 1 12 . 1 1 81 81 PRO CB C 81 32.100 32.100 30.658 1.442 25800 5953 1 12 . 1 1 82 82 PHE N N 82 122.200 122.200 122.605 -0.405 25800 5954 1 12 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.809 -0.519 25800 5955 1 12 . 1 1 82 82 PHE C C 82 175.300 175.300 175.641 -0.341 25800 5956 1 12 . 1 1 82 82 PHE CA C 82 58.100 58.100 57.095 1.005 25800 5957 1 12 . 1 1 82 82 PHE CB C 82 39.400 39.400 39.262 0.138 25800 5958 1 12 . 1 1 82 82 PHE H H 82 8.150 8.150 8.197 -0.047 25800 5959 1 12 . 1 1 83 83 ASN N N 83 120.800 120.800 121.824 -1.024 25800 5960 1 12 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.725 -0.285 25800 5961 1 12 . 1 1 83 83 ASN C C 83 174.100 174.100 174.942 -0.842 25800 5962 1 12 . 1 1 83 83 ASN CA C 83 52.700 52.700 54.099 -1.399 25800 5963 1 12 . 1 1 83 83 ASN CB C 83 38.700 38.700 36.686 2.014 25800 5964 1 12 . 1 1 83 83 ASN H H 83 8.110 8.110 8.788 -0.678 25800 5965 1 12 . 1 1 84 84 ALA N N 84 123.700 123.700 120.067 3.633 25800 5966 1 12 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.556 -0.476 25800 5967 1 12 . 1 1 84 84 ALA C C 84 177.100 177.100 177.020 0.080 25800 5968 1 12 . 1 1 84 84 ALA CA C 84 52.400 52.400 52.221 0.179 25800 5969 1 12 . 1 1 84 84 ALA CB C 84 19.100 19.100 20.220 -1.120 25800 5970 1 12 . 1 1 84 84 ALA H H 84 8.020 8.020 7.893 0.127 25800 5971 1 12 . 1 1 85 85 ARG N N 85 120.200 120.200 119.748 0.452 25800 5972 1 12 . 1 1 85 85 ARG HA H 85 4.150 4.150 4.564 -0.414 25800 5973 1 12 . 1 1 85 85 ARG C C 85 175.200 175.200 174.650 0.550 25800 5974 1 12 . 1 1 85 85 ARG CA C 85 56.000 56.000 56.258 -0.258 25800 5975 1 12 . 1 1 85 85 ARG CB C 85 30.800 30.800 30.830 -0.030 25800 5976 1 12 . 1 1 85 85 ARG H H 85 8.040 8.040 8.252 -0.212 25800 5977 1 13 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.290 0.300 25800 5978 1 13 . 1 1 0 0 HIS C C 0 174.000 174.000 173.443 0.557 25800 5979 1 13 . 1 1 0 0 HIS CA C 0 55.300 55.300 56.614 -1.314 25800 5980 1 13 . 1 1 0 0 HIS CB C 0 29.300 29.300 30.067 -0.767 25800 5981 1 13 . 1 1 1 1 MET N N 1 122.400 122.400 120.364 2.036 25800 5982 1 13 . 1 1 1 1 MET HA H 1 4.340 4.340 4.707 -0.367 25800 5983 1 13 . 1 1 1 1 MET C C 1 175.600 175.600 174.483 1.117 25800 5984 1 13 . 1 1 1 1 MET CA C 1 55.600 55.600 55.013 0.587 25800 5985 1 13 . 1 1 1 1 MET CB C 1 32.800 32.800 34.300 -1.500 25800 5986 1 13 . 1 1 1 1 MET H H 1 8.310 8.310 8.197 0.113 25800 5987 1 13 . 1 1 2 2 VAL N N 2 123.200 123.200 126.893 -3.693 25800 5988 1 13 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.824 -0.864 25800 5989 1 13 . 1 1 2 2 VAL C C 2 175.600 175.600 173.674 1.926 25800 5990 1 13 . 1 1 2 2 VAL CA C 2 62.300 62.300 61.833 0.467 25800 5991 1 13 . 1 1 2 2 VAL CB C 2 32.300 32.300 34.706 -2.405 25800 5992 1 13 . 1 1 2 2 VAL H H 2 8.180 8.180 8.913 -0.733 25800 5993 1 13 . 1 1 3 3 ILE N N 3 126.200 126.200 125.503 0.697 25800 5994 1 13 . 1 1 3 3 ILE HA H 3 4.050 4.050 4.473 -0.423 25800 5995 1 13 . 1 1 3 3 ILE C C 3 175.800 175.800 174.306 1.494 25800 5996 1 13 . 1 1 3 3 ILE CA C 3 60.700 60.700 61.199 -0.499 25800 5997 1 13 . 1 1 3 3 ILE CB C 3 38.300 38.300 40.185 -1.885 25800 5998 1 13 . 1 1 3 3 ILE H H 3 8.230 8.230 8.390 -0.160 25800 5999 1 13 . 1 1 4 4 ARG N N 4 126.100 126.100 123.749 2.351 25800 6000 1 13 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.730 -0.550 25800 6001 1 13 . 1 1 4 4 ARG C C 4 175.900 175.900 175.949 -0.049 25800 6002 1 13 . 1 1 4 4 ARG CA C 4 56.000 56.000 55.736 0.264 25800 6003 1 13 . 1 1 4 4 ARG CB C 4 30.700 30.700 31.371 -0.671 25800 6004 1 13 . 1 1 4 4 ARG H H 4 8.360 8.360 8.932 -0.572 25800 6005 1 13 . 1 1 5 5 GLU N N 5 122.200 122.200 121.286 0.914 25800 6006 1 13 . 1 1 5 5 GLU HA H 5 4.140 4.140 3.886 0.254 25800 6007 1 13 . 1 1 5 5 GLU C C 5 176.100 176.100 175.719 0.381 25800 6008 1 13 . 1 1 5 5 GLU CA C 5 56.600 56.600 56.924 -0.324 25800 6009 1 13 . 1 1 5 5 GLU CB C 5 30.300 30.300 28.665 1.635 25800 6010 1 13 . 1 1 5 5 GLU H H 5 8.400 8.400 9.044 -0.644 25800 6011 1 13 . 1 1 6 6 SER N N 6 116.200 116.200 112.141 4.059 25800 6012 1 13 . 1 1 6 6 SER HA H 6 4.350 4.350 4.053 0.297 25800 6013 1 13 . 1 1 6 6 SER C C 6 174.300 174.300 173.986 0.314 25800 6014 1 13 . 1 1 6 6 SER CA C 6 58.200 58.200 59.928 -1.728 25800 6015 1 13 . 1 1 6 6 SER CB C 6 63.800 63.800 62.327 1.473 25800 6016 1 13 . 1 1 6 6 SER H H 6 8.270 8.270 8.085 0.185 25800 6017 1 13 . 1 1 7 7 VAL N N 7 119.800 119.800 118.147 1.653 25800 6018 1 13 . 1 1 7 7 VAL HA H 7 4.300 4.300 3.739 0.561 25800 6019 1 13 . 1 1 7 7 VAL C C 7 175.500 175.500 175.201 0.299 25800 6020 1 13 . 1 1 7 7 VAL CA C 7 61.700 61.700 62.648 -0.948 25800 6021 1 13 . 1 1 7 7 VAL CB C 7 32.800 32.800 30.601 2.199 25800 6022 1 13 . 1 1 7 7 VAL H H 7 7.840 7.840 8.112 -0.272 25800 6023 1 13 . 1 1 8 8 SER N N 8 117.800 117.800 116.426 1.374 25800 6024 1 13 . 1 1 8 8 SER HA H 8 4.240 4.240 4.287 -0.047 25800 6025 1 13 . 1 1 8 8 SER C C 8 172.500 172.500 174.758 -2.258 25800 6026 1 13 . 1 1 8 8 SER CA C 8 58.500 58.500 59.576 -1.076 25800 6027 1 13 . 1 1 8 8 SER CB C 8 63.600 63.600 62.956 0.644 25800 6028 1 13 . 1 1 8 8 SER H H 8 8.530 8.530 8.308 0.222 25800 6029 1 13 . 1 1 9 9 ARG N N 9 123.000 123.000 124.278 -1.278 25800 6030 1 13 . 1 1 9 9 ARG HA H 9 5.500 5.500 5.202 0.298 25800 6031 1 13 . 1 1 9 9 ARG C C 9 175.000 175.000 175.659 -0.659 25800 6032 1 13 . 1 1 9 9 ARG CA C 9 54.300 54.300 54.239 0.061 25800 6033 1 13 . 1 1 9 9 ARG CB C 9 33.400 33.400 32.725 0.675 25800 6034 1 13 . 1 1 9 9 ARG H H 9 7.350 7.350 8.395 -1.045 25800 6035 1 13 . 1 1 10 10 ILE N N 10 114.000 114.000 122.778 -8.778 25800 6036 1 13 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.232 0.588 25800 6037 1 13 . 1 1 10 10 ILE C C 10 173.000 173.000 174.727 -1.727 25800 6038 1 13 . 1 1 10 10 ILE CA C 10 59.400 59.400 62.018 -2.618 25800 6039 1 13 . 1 1 10 10 ILE CB C 10 40.900 40.900 39.010 1.891 25800 6040 1 13 . 1 1 10 10 ILE H H 10 8.830 8.830 8.765 0.065 25800 6041 1 13 . 1 1 11 11 TYR N N 11 123.400 123.400 129.051 -5.651 25800 6042 1 13 . 1 1 11 11 TYR HA H 11 4.930 4.930 4.936 -0.006 25800 6043 1 13 . 1 1 11 11 TYR C C 11 173.000 173.000 173.459 -0.459 25800 6044 1 13 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.452 0.548 25800 6045 1 13 . 1 1 11 11 TYR CB C 11 40.900 40.900 40.846 0.055 25800 6046 1 13 . 1 1 11 11 TYR H H 11 8.690 8.690 8.125 0.565 25800 6047 1 13 . 1 1 12 12 VAL N N 12 126.300 126.300 121.471 4.829 25800 6048 1 13 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.478 0.082 25800 6049 1 13 . 1 1 12 12 VAL C C 12 174.100 174.100 173.651 0.449 25800 6050 1 13 . 1 1 12 12 VAL CA C 12 60.200 60.200 59.394 0.806 25800 6051 1 13 . 1 1 12 12 VAL CB C 12 33.400 33.400 34.859 -1.460 25800 6052 1 13 . 1 1 12 12 VAL H H 12 8.370 8.370 8.083 0.287 25800 6053 1 13 . 1 1 13 13 GLY N N 13 113.000 113.000 110.337 2.663 25800 6054 1 13 . 1 1 13 13 GLY C C 13 173.100 173.100 173.580 -0.480 25800 6055 1 13 . 1 1 13 13 GLY CA C 13 43.300 43.300 43.334 -0.034 25800 6056 1 13 . 1 1 13 13 GLY H H 13 9.350 9.350 8.554 0.796 25800 6057 1 13 . 1 1 14 14 ASN N N 14 113.900 113.900 116.351 -2.451 25800 6058 1 13 . 1 1 14 14 ASN HA H 14 4.280 4.280 4.155 0.125 25800 6059 1 13 . 1 1 14 14 ASN C C 14 175.800 175.800 175.469 0.331 25800 6060 1 13 . 1 1 14 14 ASN CA C 14 53.600 53.600 54.486 -0.886 25800 6061 1 13 . 1 1 14 14 ASN CB C 14 37.700 37.700 37.302 0.398 25800 6062 1 13 . 1 1 14 14 ASN H H 14 8.800 8.800 8.306 0.494 25800 6063 1 13 . 1 1 15 15 LEU N N 15 115.800 115.800 116.485 -0.685 25800 6064 1 13 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.523 0.467 25800 6065 1 13 . 1 1 15 15 LEU CA C 15 55.600 55.600 53.819 1.781 25800 6066 1 13 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.380 0.220 25800 6067 1 13 . 1 1 15 15 LEU H H 15 7.150 7.150 7.286 -0.136 25800 6068 1 13 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.350 -0.280 25800 6069 1 13 . 1 1 16 16 PRO C C 16 171.500 171.500 177.299 -5.799 25800 6070 1 13 . 1 1 16 16 PRO CA C 16 62.500 62.500 62.354 0.146 25800 6071 1 13 . 1 1 16 16 PRO CB C 16 32.000 32.000 32.184 -0.183 25800 6072 1 13 . 1 1 17 17 SER N N 17 115.200 115.200 113.058 2.142 25800 6073 1 13 . 1 1 17 17 SER HA H 17 4.300 4.300 3.962 0.338 25800 6074 1 13 . 1 1 17 17 SER C C 17 174.200 174.200 173.864 0.336 25800 6075 1 13 . 1 1 17 17 SER CA C 17 58.200 58.200 59.369 -1.169 25800 6076 1 13 . 1 1 17 17 SER CB C 17 63.900 63.900 62.645 1.254 25800 6077 1 13 . 1 1 17 17 SER H H 17 8.470 8.470 8.490 -0.020 25800 6078 1 13 . 1 1 18 18 HIS N N 18 120.800 120.800 117.152 3.648 25800 6079 1 13 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.174 0.376 25800 6080 1 13 . 1 1 18 18 HIS C C 18 175.100 175.100 174.657 0.443 25800 6081 1 13 . 1 1 18 18 HIS CA C 18 55.500 55.500 56.370 -0.870 25800 6082 1 13 . 1 1 18 18 HIS CB C 18 29.300 29.300 27.113 2.187 25800 6083 1 13 . 1 1 18 18 HIS H H 18 8.540 8.540 7.652 0.888 25800 6084 1 13 . 1 1 19 19 VAL N N 19 115.700 115.700 119.987 -4.287 25800 6085 1 13 . 1 1 19 19 VAL HA H 19 4.260 4.260 3.834 0.426 25800 6086 1 13 . 1 1 19 19 VAL C C 19 174.000 174.000 175.967 -1.967 25800 6087 1 13 . 1 1 19 19 VAL CA C 19 61.900 61.900 63.672 -1.772 25800 6088 1 13 . 1 1 19 19 VAL CB C 19 32.600 32.600 32.369 0.231 25800 6089 1 13 . 1 1 19 19 VAL H H 19 6.650 6.650 8.119 -1.469 25800 6090 1 13 . 1 1 20 20 SER N N 20 118.800 118.800 123.274 -4.474 25800 6091 1 13 . 1 1 20 20 SER HA H 20 4.710 4.710 4.525 0.185 25800 6092 1 13 . 1 1 20 20 SER C C 20 175.900 175.900 175.918 -0.018 25800 6093 1 13 . 1 1 20 20 SER CA C 20 55.800 55.800 58.724 -2.924 25800 6094 1 13 . 1 1 20 20 SER CB C 20 66.600 66.600 64.261 2.339 25800 6095 1 13 . 1 1 20 20 SER H H 20 8.930 8.930 8.661 0.269 25800 6096 1 13 . 1 1 21 21 SER N N 21 117.100 117.100 120.410 -3.310 25800 6097 1 13 . 1 1 21 21 SER HA H 21 3.880 3.880 4.004 -0.124 25800 6098 1 13 . 1 1 21 21 SER C C 21 176.200 176.200 176.646 -0.446 25800 6099 1 13 . 1 1 21 21 SER CA C 21 62.300 62.300 61.438 0.862 25800 6100 1 13 . 1 1 21 21 SER CB C 21 66.800 66.800 63.101 3.699 25800 6101 1 13 . 1 1 21 21 SER H H 21 9.080 9.080 9.054 0.026 25800 6102 1 13 . 1 1 22 22 ARG N N 22 121.200 121.200 121.337 -0.137 25800 6103 1 13 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.099 -0.109 25800 6104 1 13 . 1 1 22 22 ARG C C 22 177.900 177.900 178.136 -0.236 25800 6105 1 13 . 1 1 22 22 ARG CA C 22 58.700 58.700 59.135 -0.435 25800 6106 1 13 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.643 -0.043 25800 6107 1 13 . 1 1 22 22 ARG H H 22 7.940 7.940 8.575 -0.635 25800 6108 1 13 . 1 1 23 23 ASP N N 23 118.800 118.800 119.883 -1.083 25800 6109 1 13 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.542 -0.152 25800 6110 1 13 . 1 1 23 23 ASP C C 23 179.200 179.200 178.641 0.559 25800 6111 1 13 . 1 1 23 23 ASP CA C 23 57.300 57.300 57.126 0.174 25800 6112 1 13 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.810 0.190 25800 6113 1 13 . 1 1 23 23 ASP H H 23 7.480 7.480 7.452 0.028 25800 6114 1 13 . 1 1 24 24 VAL N N 24 119.500 119.500 120.580 -1.080 25800 6115 1 13 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.734 -0.364 25800 6116 1 13 . 1 1 24 24 VAL C C 24 177.500 177.500 177.062 0.438 25800 6117 1 13 . 1 1 24 24 VAL CA C 24 66.900 66.900 65.772 1.128 25800 6118 1 13 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.972 -0.572 25800 6119 1 13 . 1 1 24 24 VAL H H 24 7.450 7.450 8.330 -0.880 25800 6120 1 13 . 1 1 25 25 GLU N N 25 121.400 121.400 120.045 1.355 25800 6121 1 13 . 1 1 25 25 GLU HA H 25 3.570 3.570 3.866 -0.296 25800 6122 1 13 . 1 1 25 25 GLU C C 25 178.400 178.400 178.624 -0.224 25800 6123 1 13 . 1 1 25 25 GLU CA C 25 60.600 60.600 60.357 0.243 25800 6124 1 13 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.342 0.258 25800 6125 1 13 . 1 1 25 25 GLU H H 25 8.580 8.580 8.497 0.083 25800 6126 1 13 . 1 1 26 26 ASN N N 26 114.800 114.800 116.406 -1.606 25800 6127 1 13 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.548 -0.228 25800 6128 1 13 . 1 1 26 26 ASN C C 26 177.400 177.400 177.626 -0.226 25800 6129 1 13 . 1 1 26 26 ASN CA C 26 55.900 55.900 55.773 0.127 25800 6130 1 13 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.478 -0.578 25800 6131 1 13 . 1 1 26 26 ASN H H 26 8.180 8.180 7.765 0.415 25800 6132 1 13 . 1 1 27 27 GLU N N 27 118.900 118.900 120.652 -1.752 25800 6133 1 13 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.256 -0.116 25800 6134 1 13 . 1 1 27 27 GLU C C 27 176.400 176.400 179.416 -3.016 25800 6135 1 13 . 1 1 27 27 GLU CA C 27 57.400 57.400 59.344 -1.944 25800 6136 1 13 . 1 1 27 27 GLU CB C 27 29.400 29.400 30.215 -0.815 25800 6137 1 13 . 1 1 27 27 GLU H H 27 7.340 7.340 7.955 -0.615 25800 6138 1 13 . 1 1 28 28 PHE N N 28 114.100 114.100 119.104 -5.004 25800 6139 1 13 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.871 -0.321 25800 6140 1 13 . 1 1 28 28 PHE C C 28 176.300 176.300 178.316 -2.016 25800 6141 1 13 . 1 1 28 28 PHE CA C 28 60.000 60.000 59.840 0.160 25800 6142 1 13 . 1 1 28 28 PHE CB C 28 40.800 40.800 38.869 1.931 25800 6143 1 13 . 1 1 28 28 PHE H H 28 7.660 7.660 8.670 -1.010 25800 6144 1 13 . 1 1 29 29 ARG N N 29 121.700 121.700 119.294 2.406 25800 6145 1 13 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.417 -0.007 25800 6146 1 13 . 1 1 29 29 ARG C C 29 177.100 177.100 177.209 -0.109 25800 6147 1 13 . 1 1 29 29 ARG CA C 29 58.200 58.200 58.775 -0.575 25800 6148 1 13 . 1 1 29 29 ARG CB C 29 29.300 29.300 30.189 -0.890 25800 6149 1 13 . 1 1 29 29 ARG H H 29 8.120 8.120 8.286 -0.166 25800 6150 1 13 . 1 1 30 30 LYS N N 30 117.200 117.200 117.949 -0.749 25800 6151 1 13 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.046 -0.216 25800 6152 1 13 . 1 1 30 30 LYS C C 30 177.100 177.100 177.761 -0.661 25800 6153 1 13 . 1 1 30 30 LYS CA C 30 57.800 57.800 58.002 -0.202 25800 6154 1 13 . 1 1 30 30 LYS CB C 30 31.100 31.100 32.154 -1.054 25800 6155 1 13 . 1 1 30 30 LYS H H 30 7.630 7.630 7.642 -0.012 25800 6156 1 13 . 1 1 31 31 TYR N N 31 117.100 117.100 116.779 0.321 25800 6157 1 13 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.488 -0.338 25800 6158 1 13 . 1 1 31 31 TYR C C 31 174.400 174.400 175.720 -1.320 25800 6159 1 13 . 1 1 31 31 TYR CA C 31 59.900 59.900 58.607 1.293 25800 6160 1 13 . 1 1 31 31 TYR CB C 31 37.900 37.900 39.647 -1.747 25800 6161 1 13 . 1 1 31 31 TYR H H 31 7.410 7.410 7.835 -0.425 25800 6162 1 13 . 1 1 32 32 GLY N N 32 104.100 104.100 105.103 -1.003 25800 6163 1 13 . 1 1 32 32 GLY C C 32 177.000 177.000 172.563 4.437 25800 6164 1 13 . 1 1 32 32 GLY CA C 32 44.500 44.500 45.009 -0.509 25800 6165 1 13 . 1 1 32 32 GLY H H 32 7.240 7.240 7.567 -0.327 25800 6166 1 13 . 1 1 33 33 ASN N N 33 115.300 115.300 119.392 -4.092 25800 6167 1 13 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.894 -0.454 25800 6168 1 13 . 1 1 33 33 ASN C C 33 175.500 175.500 174.826 0.674 25800 6169 1 13 . 1 1 33 33 ASN CA C 33 54.300 54.300 53.616 0.684 25800 6170 1 13 . 1 1 33 33 ASN CB C 33 38.400 38.400 38.875 -0.475 25800 6171 1 13 . 1 1 33 33 ASN H H 33 8.460 8.460 8.435 0.025 25800 6172 1 13 . 1 1 34 34 ILE N N 34 126.700 126.700 126.618 0.082 25800 6173 1 13 . 1 1 34 34 ILE HA H 34 3.790 3.790 4.526 -0.736 25800 6174 1 13 . 1 1 34 34 ILE C C 34 175.600 175.600 175.545 0.055 25800 6175 1 13 . 1 1 34 34 ILE CA C 34 61.300 61.300 60.638 0.662 25800 6176 1 13 . 1 1 34 34 ILE CB C 34 40.000 40.000 38.632 1.368 25800 6177 1 13 . 1 1 34 34 ILE H H 34 8.050 8.050 8.236 -0.186 25800 6178 1 13 . 1 1 35 35 LEU N N 35 127.400 127.400 130.412 -3.012 25800 6179 1 13 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.417 -0.257 25800 6180 1 13 . 1 1 35 35 LEU C C 35 177.200 177.200 176.962 0.238 25800 6181 1 13 . 1 1 35 35 LEU CA C 35 55.500 55.500 55.688 -0.188 25800 6182 1 13 . 1 1 35 35 LEU CB C 35 42.700 42.700 41.932 0.768 25800 6183 1 13 . 1 1 35 35 LEU H H 35 8.780 8.780 9.250 -0.470 25800 6184 1 13 . 1 1 36 36 LYS N N 36 117.000 117.000 116.869 0.131 25800 6185 1 13 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.525 -0.285 25800 6186 1 13 . 1 1 36 36 LYS C C 36 173.600 173.600 174.179 -0.579 25800 6187 1 13 . 1 1 36 36 LYS CA C 36 55.900 55.900 55.855 0.045 25800 6188 1 13 . 1 1 36 36 LYS CB C 36 36.600 36.600 35.430 1.170 25800 6189 1 13 . 1 1 36 36 LYS H H 36 7.110 7.110 7.857 -0.747 25800 6190 1 13 . 1 1 37 37 CYS N N 37 125.400 125.400 120.103 5.297 25800 6191 1 13 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.611 -0.911 25800 6192 1 13 . 1 1 37 37 CYS C C 37 171.600 171.600 172.805 -1.205 25800 6193 1 13 . 1 1 37 37 CYS CA C 37 57.900 57.900 56.626 1.274 25800 6194 1 13 . 1 1 37 37 CYS CB C 37 27.100 27.100 31.271 -4.171 25800 6195 1 13 . 1 1 37 37 CYS H H 37 8.610 8.610 8.542 0.068 25800 6196 1 13 . 1 1 38 38 ASP N N 38 128.200 128.200 120.755 7.445 25800 6197 1 13 . 1 1 38 38 ASP HA H 38 4.950 4.950 4.867 0.083 25800 6198 1 13 . 1 1 38 38 ASP C C 38 174.300 174.300 174.134 0.166 25800 6199 1 13 . 1 1 38 38 ASP CA C 38 53.200 53.200 53.898 -0.698 25800 6200 1 13 . 1 1 38 38 ASP CB C 38 44.300 44.300 45.433 -1.133 25800 6201 1 13 . 1 1 38 38 ASP H H 38 8.290 8.290 8.533 -0.243 25800 6202 1 13 . 1 1 39 39 VAL N N 39 123.500 123.500 120.536 2.964 25800 6203 1 13 . 1 1 39 39 VAL HA H 39 4.300 4.300 4.796 -0.496 25800 6204 1 13 . 1 1 39 39 VAL C C 39 175.000 175.000 175.676 -0.676 25800 6205 1 13 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.416 0.284 25800 6206 1 13 . 1 1 39 39 VAL CB C 39 33.100 33.100 33.012 0.088 25800 6207 1 13 . 1 1 39 39 VAL H H 39 8.380 8.380 8.527 -0.147 25800 6208 1 13 . 1 1 40 40 LYS N N 40 129.100 129.100 127.460 1.640 25800 6209 1 13 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.876 -0.556 25800 6210 1 13 . 1 1 40 40 LYS C C 40 173.700 173.700 174.699 -0.999 25800 6211 1 13 . 1 1 40 40 LYS CA C 40 53.900 53.900 54.509 -0.609 25800 6212 1 13 . 1 1 40 40 LYS CB C 40 35.500 35.500 35.534 -0.034 25800 6213 1 13 . 1 1 40 40 LYS H H 40 8.680 8.680 9.240 -0.560 25800 6214 1 13 . 1 1 41 41 LYS N N 41 117.300 117.300 120.537 -3.237 25800 6215 1 13 . 1 1 41 41 LYS HA H 41 4.980 4.980 5.248 -0.268 25800 6216 1 13 . 1 1 41 41 LYS C C 41 177.800 177.800 175.372 2.428 25800 6217 1 13 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.725 -0.125 25800 6218 1 13 . 1 1 41 41 LYS CB C 41 35.000 35.000 35.308 -0.308 25800 6219 1 13 . 1 1 41 41 LYS H H 41 7.900 7.900 8.329 -0.429 25800 6220 1 13 . 1 1 42 42 THR N N 42 113.200 113.200 114.286 -1.086 25800 6221 1 13 . 1 1 42 42 THR HA H 42 4.680 4.680 4.825 -0.145 25800 6222 1 13 . 1 1 42 42 THR C C 42 176.900 176.900 176.254 0.646 25800 6223 1 13 . 1 1 42 42 THR CA C 42 60.200 60.200 60.048 0.152 25800 6224 1 13 . 1 1 42 42 THR CB C 42 71.600 71.600 70.208 1.392 25800 6225 1 13 . 1 1 42 42 THR H H 42 8.730 8.730 8.379 0.351 25800 6226 1 13 . 1 1 43 43 VAL N N 43 120.000 120.000 123.397 -3.397 25800 6227 1 13 . 1 1 43 43 VAL HA H 43 3.920 3.920 4.047 -0.127 25800 6228 1 13 . 1 1 43 43 VAL C C 43 177.000 177.000 176.540 0.460 25800 6229 1 13 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.459 0.241 25800 6230 1 13 . 1 1 43 43 VAL CB C 43 31.800 31.800 31.779 0.021 25800 6231 1 13 . 1 1 43 43 VAL H H 43 8.730 8.730 8.540 0.190 25800 6232 1 13 . 1 1 44 44 SER N N 44 113.400 113.400 115.662 -2.262 25800 6233 1 13 . 1 1 44 44 SER HA H 44 4.360 4.360 4.350 0.010 25800 6234 1 13 . 1 1 44 44 SER C C 44 174.800 174.800 175.501 -0.701 25800 6235 1 13 . 1 1 44 44 SER CA C 44 58.400 58.400 58.543 -0.143 25800 6236 1 13 . 1 1 44 44 SER CB C 44 63.500 63.500 63.469 0.031 25800 6237 1 13 . 1 1 44 44 SER H H 44 7.760 7.760 7.968 -0.208 25800 6238 1 13 . 1 1 45 45 GLY N N 45 110.200 110.200 108.642 1.558 25800 6239 1 13 . 1 1 45 45 GLY C C 45 173.500 173.500 174.257 -0.757 25800 6240 1 13 . 1 1 45 45 GLY CA C 45 45.300 45.300 44.718 0.582 25800 6241 1 13 . 1 1 45 45 GLY H H 45 7.820 7.820 7.851 -0.031 25800 6242 1 13 . 1 1 46 46 ALA N N 46 123.900 123.900 124.028 -0.128 25800 6243 1 13 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.174 0.216 25800 6244 1 13 . 1 1 46 46 ALA C C 46 176.100 176.100 175.570 0.530 25800 6245 1 13 . 1 1 46 46 ALA CA C 46 51.900 51.900 51.980 -0.080 25800 6246 1 13 . 1 1 46 46 ALA CB C 46 19.800 19.800 20.032 -0.232 25800 6247 1 13 . 1 1 46 46 ALA H H 46 7.440 7.440 7.877 -0.437 25800 6248 1 13 . 1 1 47 47 ALA N N 47 123.100 123.100 122.049 1.051 25800 6249 1 13 . 1 1 47 47 ALA HA H 47 5.200 5.200 5.039 0.161 25800 6250 1 13 . 1 1 47 47 ALA C C 47 176.100 176.100 175.142 0.958 25800 6251 1 13 . 1 1 47 47 ALA CA C 47 50.900 50.900 50.484 0.416 25800 6252 1 13 . 1 1 47 47 ALA CB C 47 21.900 21.900 22.187 -0.287 25800 6253 1 13 . 1 1 47 47 ALA H H 47 8.350 8.350 7.905 0.445 25800 6254 1 13 . 1 1 48 48 PHE N N 48 118.700 118.700 117.222 1.478 25800 6255 1 13 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.333 -0.303 25800 6256 1 13 . 1 1 48 48 PHE C C 48 171.600 171.600 174.260 -2.660 25800 6257 1 13 . 1 1 48 48 PHE CA C 48 55.700 55.700 56.750 -1.050 25800 6258 1 13 . 1 1 48 48 PHE CB C 48 41.200 41.200 43.156 -1.956 25800 6259 1 13 . 1 1 48 48 PHE H H 48 8.550 8.550 9.017 -0.467 25800 6260 1 13 . 1 1 49 49 ALA N N 49 120.400 120.400 125.051 -4.651 25800 6261 1 13 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.194 0.136 25800 6262 1 13 . 1 1 49 49 ALA C C 49 175.500 175.500 175.570 -0.070 25800 6263 1 13 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.478 -1.178 25800 6264 1 13 . 1 1 49 49 ALA CB C 49 23.700 23.700 21.081 2.619 25800 6265 1 13 . 1 1 49 49 ALA H H 49 9.240 9.240 9.032 0.208 25800 6266 1 13 . 1 1 50 50 PHE N N 50 115.000 115.000 121.376 -6.376 25800 6267 1 13 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.678 -0.078 25800 6268 1 13 . 1 1 50 50 PHE C C 50 176.000 176.000 174.492 1.508 25800 6269 1 13 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.155 0.345 25800 6270 1 13 . 1 1 50 50 PHE CB C 50 42.200 42.200 42.974 -0.774 25800 6271 1 13 . 1 1 50 50 PHE H H 50 7.920 7.920 8.944 -1.024 25800 6272 1 13 . 1 1 51 51 ILE N N 51 123.000 123.000 122.419 0.581 25800 6273 1 13 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.290 0.160 25800 6274 1 13 . 1 1 51 51 ILE C C 51 173.700 173.700 174.022 -0.322 25800 6275 1 13 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.715 -0.515 25800 6276 1 13 . 1 1 51 51 ILE CB C 51 40.700 40.700 40.470 0.230 25800 6277 1 13 . 1 1 51 51 ILE H H 51 8.490 8.490 9.093 -0.603 25800 6278 1 13 . 1 1 52 52 GLU N N 52 126.600 126.600 127.369 -0.769 25800 6279 1 13 . 1 1 52 52 GLU HA H 52 4.770 4.770 4.558 0.212 25800 6280 1 13 . 1 1 52 52 GLU C C 52 175.300 175.300 174.930 0.370 25800 6281 1 13 . 1 1 52 52 GLU CA C 52 54.700 54.700 55.351 -0.651 25800 6282 1 13 . 1 1 52 52 GLU CB C 52 31.500 31.500 30.951 0.549 25800 6283 1 13 . 1 1 52 52 GLU H H 52 8.610 8.610 8.710 -0.100 25800 6284 1 13 . 1 1 53 53 PHE N N 53 126.100 126.100 125.745 0.355 25800 6285 1 13 . 1 1 53 53 PHE HA H 53 4.800 4.800 5.243 -0.443 25800 6286 1 13 . 1 1 53 53 PHE C C 53 175.400 175.400 176.882 -1.482 25800 6287 1 13 . 1 1 53 53 PHE CA C 53 58.200 58.200 56.752 1.448 25800 6288 1 13 . 1 1 53 53 PHE CB C 53 40.900 40.900 41.088 -0.188 25800 6289 1 13 . 1 1 53 53 PHE H H 53 8.800 8.800 8.947 -0.147 25800 6290 1 13 . 1 1 54 54 GLU N N 54 120.700 120.700 120.661 0.039 25800 6291 1 13 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.256 -0.326 25800 6292 1 13 . 1 1 54 54 GLU C C 54 175.300 175.300 176.204 -0.904 25800 6293 1 13 . 1 1 54 54 GLU CA C 54 59.100 59.100 57.592 1.508 25800 6294 1 13 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.629 0.171 25800 6295 1 13 . 1 1 54 54 GLU H H 54 8.160 8.160 8.817 -0.657 25800 6296 1 13 . 1 1 55 55 ASP N N 55 117.900 117.900 120.174 -2.274 25800 6297 1 13 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.794 0.126 25800 6298 1 13 . 1 1 55 55 ASP C C 55 176.400 176.400 175.489 0.911 25800 6299 1 13 . 1 1 55 55 ASP CA C 55 52.400 52.400 53.116 -0.716 25800 6300 1 13 . 1 1 55 55 ASP CB C 55 44.400 44.400 41.158 3.242 25800 6301 1 13 . 1 1 55 55 ASP H H 55 8.740 8.740 8.220 0.520 25800 6302 1 13 . 1 1 56 56 ALA N N 56 128.900 128.900 126.119 2.781 25800 6303 1 13 . 1 1 56 56 ALA HA H 56 3.830 3.830 3.365 0.465 25800 6304 1 13 . 1 1 56 56 ALA C C 56 179.800 179.800 178.304 1.496 25800 6305 1 13 . 1 1 56 56 ALA CA C 56 55.200 55.200 55.290 -0.090 25800 6306 1 13 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.742 0.158 25800 6307 1 13 . 1 1 56 56 ALA H H 56 8.800 8.800 8.393 0.407 25800 6308 1 13 . 1 1 57 57 ARG N N 57 119.200 119.200 118.240 0.960 25800 6309 1 13 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.118 -0.228 25800 6310 1 13 . 1 1 57 57 ARG C C 57 178.000 178.000 177.194 0.806 25800 6311 1 13 . 1 1 57 57 ARG CA C 57 58.900 58.900 58.944 -0.044 25800 6312 1 13 . 1 1 57 57 ARG CB C 57 29.300 29.300 29.376 -0.076 25800 6313 1 13 . 1 1 57 57 ARG H H 57 8.950 8.950 8.169 0.781 25800 6314 1 13 . 1 1 58 58 ASP N N 58 120.900 120.900 117.992 2.908 25800 6315 1 13 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.468 -0.378 25800 6316 1 13 . 1 1 58 58 ASP C C 58 176.700 176.700 177.973 -1.273 25800 6317 1 13 . 1 1 58 58 ASP CA C 58 56.500 56.500 56.603 -0.103 25800 6318 1 13 . 1 1 58 58 ASP CB C 58 39.900 39.900 40.591 -0.691 25800 6319 1 13 . 1 1 58 58 ASP H H 58 7.020 7.020 7.689 -0.669 25800 6320 1 13 . 1 1 59 59 ALA N N 59 119.700 119.700 121.917 -2.217 25800 6321 1 13 . 1 1 59 59 ALA HA H 59 3.080 3.080 3.782 -0.702 25800 6322 1 13 . 1 1 59 59 ALA C C 59 178.100 178.100 179.533 -1.433 25800 6323 1 13 . 1 1 59 59 ALA CA C 59 54.300 54.300 54.598 -0.298 25800 6324 1 13 . 1 1 59 59 ALA CB C 59 18.400 18.400 18.115 0.285 25800 6325 1 13 . 1 1 59 59 ALA H H 59 6.440 6.440 8.039 -1.599 25800 6326 1 13 . 1 1 60 60 ALA N N 60 117.600 117.600 121.020 -3.420 25800 6327 1 13 . 1 1 60 60 ALA HA H 60 3.830 3.830 4.117 -0.287 25800 6328 1 13 . 1 1 60 60 ALA C C 60 180.900 180.900 178.828 2.072 25800 6329 1 13 . 1 1 60 60 ALA CA C 60 54.900 54.900 54.803 0.097 25800 6330 1 13 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.326 -0.626 25800 6331 1 13 . 1 1 60 60 ALA H H 60 7.330 7.330 7.724 -0.394 25800 6332 1 13 . 1 1 61 61 ASP N N 61 120.100 120.100 118.468 1.632 25800 6333 1 13 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.470 -0.260 25800 6334 1 13 . 1 1 61 61 ASP C C 61 176.700 176.700 177.128 -0.428 25800 6335 1 13 . 1 1 61 61 ASP CA C 61 57.100 57.100 56.491 0.609 25800 6336 1 13 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.412 -0.312 25800 6337 1 13 . 1 1 61 61 ASP H H 61 7.590 7.590 7.881 -0.291 25800 6338 1 13 . 1 1 62 62 ALA N N 62 122.200 122.200 121.563 0.637 25800 6339 1 13 . 1 1 62 62 ALA HA H 62 2.420 2.420 3.570 -1.150 25800 6340 1 13 . 1 1 62 62 ALA C C 62 179.300 179.300 179.114 0.186 25800 6341 1 13 . 1 1 62 62 ALA CA C 62 54.600 54.600 53.921 0.679 25800 6342 1 13 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.366 0.734 25800 6343 1 13 . 1 1 62 62 ALA H H 62 7.440 7.440 7.408 0.032 25800 6344 1 13 . 1 1 63 63 ILE N N 63 116.700 116.700 119.065 -2.365 25800 6345 1 13 . 1 1 63 63 ILE HA H 63 3.240 3.240 3.710 -0.470 25800 6346 1 13 . 1 1 63 63 ILE C C 63 177.800 177.800 177.283 0.517 25800 6347 1 13 . 1 1 63 63 ILE CA C 63 65.600 65.600 63.152 2.448 25800 6348 1 13 . 1 1 63 63 ILE CB C 63 38.900 38.900 37.709 1.191 25800 6349 1 13 . 1 1 63 63 ILE H H 63 7.540 7.540 7.441 0.099 25800 6350 1 13 . 1 1 64 64 LYS N N 64 117.400 117.400 118.592 -1.192 25800 6351 1 13 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.330 -0.430 25800 6352 1 13 . 1 1 64 64 LYS C C 64 178.900 178.900 177.281 1.619 25800 6353 1 13 . 1 1 64 64 LYS CA C 64 58.800 58.800 57.900 0.900 25800 6354 1 13 . 1 1 64 64 LYS CB C 64 32.600 32.600 31.908 0.692 25800 6355 1 13 . 1 1 64 64 LYS H H 64 7.490 7.490 7.876 -0.386 25800 6356 1 13 . 1 1 65 65 GLU N N 65 113.800 113.800 116.638 -2.838 25800 6357 1 13 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.380 -0.220 25800 6358 1 13 . 1 1 65 65 GLU C C 65 178.300 178.300 177.758 0.542 25800 6359 1 13 . 1 1 65 65 GLU CA C 65 58.300 58.300 56.860 1.440 25800 6360 1 13 . 1 1 65 65 GLU CB C 65 30.700 30.700 30.635 0.065 25800 6361 1 13 . 1 1 65 65 GLU H H 65 7.960 7.960 7.781 0.179 25800 6362 1 13 . 1 1 66 66 LYS N N 66 114.700 114.700 119.251 -4.551 25800 6363 1 13 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.391 0.079 25800 6364 1 13 . 1 1 66 66 LYS C C 66 177.500 177.500 177.107 0.393 25800 6365 1 13 . 1 1 66 66 LYS CA C 66 54.400 54.400 55.984 -1.584 25800 6366 1 13 . 1 1 66 66 LYS CB C 66 33.000 33.000 32.597 0.403 25800 6367 1 13 . 1 1 66 66 LYS H H 66 8.050 8.050 7.684 0.366 25800 6368 1 13 . 1 1 67 67 ASP N N 67 118.800 118.800 119.912 -1.112 25800 6369 1 13 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.442 -0.222 25800 6370 1 13 . 1 1 67 67 ASP C C 67 177.700 177.700 177.684 0.016 25800 6371 1 13 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.305 4.095 25800 6372 1 13 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.142 0.258 25800 6373 1 13 . 1 1 67 67 ASP H H 67 7.620 7.620 7.822 -0.202 25800 6374 1 13 . 1 1 68 68 GLY N N 68 115.600 115.600 107.738 7.862 25800 6375 1 13 . 1 1 68 68 GLY C C 68 173.800 173.800 174.775 -0.975 25800 6376 1 13 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.670 1.230 25800 6377 1 13 . 1 1 68 68 GLY H H 68 8.470 8.470 8.658 -0.188 25800 6378 1 13 . 1 1 69 69 CYS N N 69 119.200 119.200 118.569 0.631 25800 6379 1 13 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.635 -0.475 25800 6380 1 13 . 1 1 69 69 CYS C C 69 172.600 172.600 174.228 -1.628 25800 6381 1 13 . 1 1 69 69 CYS CA C 69 58.000 58.000 57.844 0.155 25800 6382 1 13 . 1 1 69 69 CYS CB C 69 28.700 28.700 29.449 -0.749 25800 6383 1 13 . 1 1 69 69 CYS H H 69 7.890 7.890 8.253 -0.363 25800 6384 1 13 . 1 1 70 70 ASP N N 70 122.200 122.200 122.080 0.120 25800 6385 1 13 . 1 1 70 70 ASP HA H 70 4.830 4.830 4.303 0.527 25800 6386 1 13 . 1 1 70 70 ASP C C 70 176.400 176.400 174.175 2.225 25800 6387 1 13 . 1 1 70 70 ASP CA C 70 54.700 54.700 53.228 1.472 25800 6388 1 13 . 1 1 70 70 ASP CB C 70 42.700 42.700 44.394 -1.694 25800 6389 1 13 . 1 1 70 70 ASP H H 70 8.360 8.360 8.856 -0.496 25800 6390 1 13 . 1 1 71 71 PHE N N 71 127.600 127.600 118.493 9.107 25800 6391 1 13 . 1 1 71 71 PHE HA H 71 4.600 4.600 5.146 -0.546 25800 6392 1 13 . 1 1 71 71 PHE C C 71 173.600 173.600 175.348 -1.748 25800 6393 1 13 . 1 1 71 71 PHE CA C 71 56.800 56.800 57.099 -0.299 25800 6394 1 13 . 1 1 71 71 PHE CB C 71 40.700 40.700 40.801 -0.101 25800 6395 1 13 . 1 1 71 71 PHE H H 71 9.390 9.390 7.494 1.896 25800 6396 1 13 . 1 1 72 72 GLU N N 72 123.900 123.900 118.620 5.280 25800 6397 1 13 . 1 1 72 72 GLU HA H 72 3.540 3.540 4.202 -0.662 25800 6398 1 13 . 1 1 72 72 GLU C C 72 175.500 175.500 175.781 -0.281 25800 6399 1 13 . 1 1 72 72 GLU CA C 72 56.700 56.700 57.384 -0.684 25800 6400 1 13 . 1 1 72 72 GLU CB C 72 27.300 27.300 28.382 -1.082 25800 6401 1 13 . 1 1 72 72 GLU H H 72 8.940 8.940 9.237 -0.297 25800 6402 1 13 . 1 1 73 73 GLY N N 73 105.200 105.200 104.901 0.299 25800 6403 1 13 . 1 1 73 73 GLY C C 73 174.100 174.100 174.084 0.016 25800 6404 1 13 . 1 1 73 73 GLY CA C 73 45.600 45.600 45.190 0.410 25800 6405 1 13 . 1 1 73 73 GLY H H 73 8.350 8.350 8.145 0.205 25800 6406 1 13 . 1 1 74 74 ASN N N 74 121.000 121.000 121.592 -0.592 25800 6407 1 13 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.726 0.034 25800 6408 1 13 . 1 1 74 74 ASN C C 74 174.000 174.000 174.168 -0.168 25800 6409 1 13 . 1 1 74 74 ASN CA C 74 50.900 50.900 53.317 -2.417 25800 6410 1 13 . 1 1 74 74 ASN CB C 74 39.700 39.700 39.336 0.364 25800 6411 1 13 . 1 1 74 74 ASN H H 74 7.740 7.740 8.439 -0.699 25800 6412 1 13 . 1 1 75 75 LYS N N 75 121.400 121.400 120.947 0.453 25800 6413 1 13 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.579 -0.109 25800 6414 1 13 . 1 1 75 75 LYS C C 75 176.900 176.900 175.175 1.725 25800 6415 1 13 . 1 1 75 75 LYS CA C 75 55.300 55.300 55.665 -0.365 25800 6416 1 13 . 1 1 75 75 LYS CB C 75 31.900 31.900 32.969 -1.069 25800 6417 1 13 . 1 1 75 75 LYS H H 75 8.380 8.380 8.365 0.015 25800 6418 1 13 . 1 1 76 76 LEU N N 76 127.400 127.400 124.143 3.257 25800 6419 1 13 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.528 -0.098 25800 6420 1 13 . 1 1 76 76 LEU C C 76 177.600 177.600 173.861 3.739 25800 6421 1 13 . 1 1 76 76 LEU CA C 76 55.300 55.300 55.165 0.135 25800 6422 1 13 . 1 1 76 76 LEU CB C 76 43.100 43.100 46.520 -3.420 25800 6423 1 13 . 1 1 76 76 LEU H H 76 8.950 8.950 8.003 0.947 25800 6424 1 13 . 1 1 77 77 ARG N N 77 121.800 121.800 124.854 -3.054 25800 6425 1 13 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.908 -0.008 25800 6426 1 13 . 1 1 77 77 ARG C C 77 174.700 174.700 173.573 1.127 25800 6427 1 13 . 1 1 77 77 ARG CA C 77 54.000 54.000 55.757 -1.757 25800 6428 1 13 . 1 1 77 77 ARG CB C 77 32.300 32.300 34.888 -2.587 25800 6429 1 13 . 1 1 77 77 ARG H H 77 7.530 7.530 9.033 -1.503 25800 6430 1 13 . 1 1 78 78 VAL N N 78 127.000 127.000 124.566 2.434 25800 6431 1 13 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.446 0.834 25800 6432 1 13 . 1 1 78 78 VAL C C 78 174.200 174.200 173.987 0.213 25800 6433 1 13 . 1 1 78 78 VAL CA C 78 61.200 61.200 61.652 -0.452 25800 6434 1 13 . 1 1 78 78 VAL CB C 78 33.400 33.400 34.615 -1.215 25800 6435 1 13 . 1 1 78 78 VAL H H 78 9.660 9.660 8.570 1.090 25800 6436 1 13 . 1 1 79 79 GLU N N 79 121.900 121.900 127.569 -5.669 25800 6437 1 13 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.760 -0.050 25800 6438 1 13 . 1 1 79 79 GLU C C 79 174.600 174.600 173.923 0.677 25800 6439 1 13 . 1 1 79 79 GLU CA C 79 53.900 53.900 55.012 -1.112 25800 6440 1 13 . 1 1 79 79 GLU CB C 79 34.400 34.400 34.249 0.151 25800 6441 1 13 . 1 1 79 79 GLU H H 79 8.980 8.980 8.452 0.528 25800 6442 1 13 . 1 1 80 80 VAL N N 80 121.300 121.300 118.667 2.633 25800 6443 1 13 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.624 -0.254 25800 6444 1 13 . 1 1 80 80 VAL CA C 80 61.000 61.000 58.226 2.774 25800 6445 1 13 . 1 1 80 80 VAL CB C 80 32.100 32.100 31.993 0.107 25800 6446 1 13 . 1 1 80 80 VAL H H 80 8.410 8.410 8.416 -0.006 25800 6447 1 13 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.331 -0.071 25800 6448 1 13 . 1 1 81 81 PRO C C 81 176.100 176.100 177.215 -1.115 25800 6449 1 13 . 1 1 81 81 PRO CA C 81 63.100 63.100 64.876 -1.776 25800 6450 1 13 . 1 1 81 81 PRO CB C 81 32.100 32.100 32.112 -0.013 25800 6451 1 13 . 1 1 82 82 PHE N N 82 122.200 122.200 115.226 6.974 25800 6452 1 13 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.512 -0.222 25800 6453 1 13 . 1 1 82 82 PHE C C 82 175.300 175.300 175.339 -0.039 25800 6454 1 13 . 1 1 82 82 PHE CA C 82 58.100 58.100 57.587 0.513 25800 6455 1 13 . 1 1 82 82 PHE CB C 82 39.400 39.400 38.630 0.770 25800 6456 1 13 . 1 1 82 82 PHE H H 82 8.150 8.150 7.772 0.378 25800 6457 1 13 . 1 1 83 83 ASN N N 83 120.800 120.800 117.272 3.528 25800 6458 1 13 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.189 0.251 25800 6459 1 13 . 1 1 83 83 ASN C C 83 174.100 174.100 174.696 -0.596 25800 6460 1 13 . 1 1 83 83 ASN CA C 83 52.700 52.700 52.836 -0.136 25800 6461 1 13 . 1 1 83 83 ASN CB C 83 38.700 38.700 38.149 0.551 25800 6462 1 13 . 1 1 83 83 ASN H H 83 8.110 8.110 7.473 0.637 25800 6463 1 13 . 1 1 84 84 ALA N N 84 123.700 123.700 120.593 3.107 25800 6464 1 13 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.234 -0.154 25800 6465 1 13 . 1 1 84 84 ALA C C 84 177.100 177.100 177.018 0.082 25800 6466 1 13 . 1 1 84 84 ALA CA C 84 52.400 52.400 54.167 -1.767 25800 6467 1 13 . 1 1 84 84 ALA CB C 84 19.100 19.100 18.379 0.721 25800 6468 1 13 . 1 1 84 84 ALA H H 84 8.020 8.020 8.703 -0.683 25800 6469 1 13 . 1 1 85 85 ARG N N 85 120.200 120.200 119.694 0.506 25800 6470 1 13 . 1 1 85 85 ARG HA H 85 4.150 4.150 4.429 -0.279 25800 6471 1 13 . 1 1 85 85 ARG C C 85 175.200 175.200 175.576 -0.376 25800 6472 1 13 . 1 1 85 85 ARG CA C 85 56.000 56.000 55.926 0.074 25800 6473 1 13 . 1 1 85 85 ARG CB C 85 30.800 30.800 30.934 -0.134 25800 6474 1 13 . 1 1 85 85 ARG H H 85 8.040 8.040 8.393 -0.353 25800 6475 1 14 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.810 -0.220 25800 6476 1 14 . 1 1 0 0 HIS C C 0 174.000 174.000 173.696 0.304 25800 6477 1 14 . 1 1 0 0 HIS CA C 0 55.300 55.300 56.782 -1.482 25800 6478 1 14 . 1 1 0 0 HIS CB C 0 29.300 29.300 31.192 -1.892 25800 6479 1 14 . 1 1 1 1 MET N N 1 122.400 122.400 123.047 -0.647 25800 6480 1 14 . 1 1 1 1 MET HA H 1 4.340 4.340 4.774 -0.434 25800 6481 1 14 . 1 1 1 1 MET C C 1 175.600 175.600 174.727 0.873 25800 6482 1 14 . 1 1 1 1 MET CA C 1 55.600 55.600 55.684 -0.084 25800 6483 1 14 . 1 1 1 1 MET CB C 1 32.800 32.800 32.829 -0.029 25800 6484 1 14 . 1 1 1 1 MET H H 1 8.310 8.310 8.197 0.113 25800 6485 1 14 . 1 1 2 2 VAL N N 2 123.200 123.200 122.474 0.726 25800 6486 1 14 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.122 -0.162 25800 6487 1 14 . 1 1 2 2 VAL C C 2 175.600 175.600 175.033 0.567 25800 6488 1 14 . 1 1 2 2 VAL CA C 2 62.300 62.300 63.706 -1.406 25800 6489 1 14 . 1 1 2 2 VAL CB C 2 32.300 32.300 30.669 1.631 25800 6490 1 14 . 1 1 2 2 VAL H H 2 8.180 8.180 8.151 0.029 25800 6491 1 14 . 1 1 3 3 ILE N N 3 126.200 126.200 125.884 0.316 25800 6492 1 14 . 1 1 3 3 ILE HA H 3 4.050 4.050 4.354 -0.304 25800 6493 1 14 . 1 1 3 3 ILE C C 3 175.800 175.800 174.597 1.203 25800 6494 1 14 . 1 1 3 3 ILE CA C 3 60.700 60.700 60.205 0.495 25800 6495 1 14 . 1 1 3 3 ILE CB C 3 38.300 38.300 41.185 -2.885 25800 6496 1 14 . 1 1 3 3 ILE H H 3 8.230 8.230 7.705 0.525 25800 6497 1 14 . 1 1 4 4 ARG N N 4 126.100 126.100 122.540 3.560 25800 6498 1 14 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.582 -0.402 25800 6499 1 14 . 1 1 4 4 ARG C C 4 175.900 175.900 176.234 -0.334 25800 6500 1 14 . 1 1 4 4 ARG CA C 4 56.000 56.000 56.280 -0.280 25800 6501 1 14 . 1 1 4 4 ARG CB C 4 30.700 30.700 30.902 -0.202 25800 6502 1 14 . 1 1 4 4 ARG H H 4 8.360 8.360 8.429 -0.069 25800 6503 1 14 . 1 1 5 5 GLU N N 5 122.200 122.200 119.628 2.572 25800 6504 1 14 . 1 1 5 5 GLU HA H 5 4.140 4.140 4.560 -0.420 25800 6505 1 14 . 1 1 5 5 GLU C C 5 176.100 176.100 174.834 1.266 25800 6506 1 14 . 1 1 5 5 GLU CA C 5 56.600 56.600 55.585 1.015 25800 6507 1 14 . 1 1 5 5 GLU CB C 5 30.300 30.300 31.324 -1.024 25800 6508 1 14 . 1 1 5 5 GLU H H 5 8.400 8.400 7.821 0.579 25800 6509 1 14 . 1 1 6 6 SER N N 6 116.200 116.200 115.870 0.330 25800 6510 1 14 . 1 1 6 6 SER HA H 6 4.350 4.350 4.607 -0.257 25800 6511 1 14 . 1 1 6 6 SER C C 6 174.300 174.300 174.224 0.076 25800 6512 1 14 . 1 1 6 6 SER CA C 6 58.200 58.200 57.654 0.546 25800 6513 1 14 . 1 1 6 6 SER CB C 6 63.800 63.800 63.721 0.079 25800 6514 1 14 . 1 1 6 6 SER H H 6 8.270 8.270 8.345 -0.075 25800 6515 1 14 . 1 1 7 7 VAL N N 7 119.800 119.800 126.193 -6.393 25800 6516 1 14 . 1 1 7 7 VAL HA H 7 4.300 4.300 4.191 0.109 25800 6517 1 14 . 1 1 7 7 VAL C C 7 175.500 175.500 175.227 0.273 25800 6518 1 14 . 1 1 7 7 VAL CA C 7 61.700 61.700 61.419 0.282 25800 6519 1 14 . 1 1 7 7 VAL CB C 7 32.800 32.800 31.019 1.781 25800 6520 1 14 . 1 1 7 7 VAL H H 7 7.840 7.840 8.440 -0.600 25800 6521 1 14 . 1 1 8 8 SER N N 8 117.800 117.800 122.674 -4.874 25800 6522 1 14 . 1 1 8 8 SER HA H 8 4.240 4.240 4.594 -0.354 25800 6523 1 14 . 1 1 8 8 SER C C 8 172.500 172.500 174.382 -1.882 25800 6524 1 14 . 1 1 8 8 SER CA C 8 58.500 58.500 58.812 -0.312 25800 6525 1 14 . 1 1 8 8 SER CB C 8 63.600 63.600 63.719 -0.119 25800 6526 1 14 . 1 1 8 8 SER H H 8 8.530 8.530 7.995 0.535 25800 6527 1 14 . 1 1 9 9 ARG N N 9 123.000 123.000 123.430 -0.430 25800 6528 1 14 . 1 1 9 9 ARG HA H 9 5.500 5.500 5.525 -0.025 25800 6529 1 14 . 1 1 9 9 ARG C C 9 175.000 175.000 175.262 -0.262 25800 6530 1 14 . 1 1 9 9 ARG CA C 9 54.300 54.300 55.108 -0.808 25800 6531 1 14 . 1 1 9 9 ARG CB C 9 33.400 33.400 35.679 -2.280 25800 6532 1 14 . 1 1 9 9 ARG H H 9 7.350 7.350 8.470 -1.120 25800 6533 1 14 . 1 1 10 10 ILE N N 10 114.000 114.000 118.864 -4.864 25800 6534 1 14 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.307 0.513 25800 6535 1 14 . 1 1 10 10 ILE C C 10 173.000 173.000 174.075 -1.075 25800 6536 1 14 . 1 1 10 10 ILE CA C 10 59.400 59.400 60.091 -0.691 25800 6537 1 14 . 1 1 10 10 ILE CB C 10 40.900 40.900 41.328 -0.428 25800 6538 1 14 . 1 1 10 10 ILE H H 10 8.830 8.830 8.954 -0.124 25800 6539 1 14 . 1 1 11 11 TYR N N 11 123.400 123.400 126.287 -2.887 25800 6540 1 14 . 1 1 11 11 TYR HA H 11 4.930 4.930 5.220 -0.290 25800 6541 1 14 . 1 1 11 11 TYR C C 11 173.000 173.000 173.007 -0.007 25800 6542 1 14 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.755 0.245 25800 6543 1 14 . 1 1 11 11 TYR CB C 11 40.900 40.900 42.760 -1.860 25800 6544 1 14 . 1 1 11 11 TYR H H 11 8.690 8.690 8.824 -0.134 25800 6545 1 14 . 1 1 12 12 VAL N N 12 126.300 126.300 124.600 1.700 25800 6546 1 14 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.223 0.337 25800 6547 1 14 . 1 1 12 12 VAL C C 12 174.100 174.100 174.505 -0.405 25800 6548 1 14 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.682 -0.482 25800 6549 1 14 . 1 1 12 12 VAL CB C 12 33.400 33.400 34.072 -0.672 25800 6550 1 14 . 1 1 12 12 VAL H H 12 8.370 8.370 7.932 0.438 25800 6551 1 14 . 1 1 13 13 GLY N N 13 113.000 113.000 112.610 0.390 25800 6552 1 14 . 1 1 13 13 GLY C C 13 173.100 173.100 173.787 -0.687 25800 6553 1 14 . 1 1 13 13 GLY CA C 13 43.300 43.300 43.985 -0.685 25800 6554 1 14 . 1 1 13 13 GLY H H 13 9.350 9.350 8.480 0.870 25800 6555 1 14 . 1 1 14 14 ASN N N 14 113.900 113.900 116.477 -2.577 25800 6556 1 14 . 1 1 14 14 ASN HA H 14 4.280 4.280 3.869 0.411 25800 6557 1 14 . 1 1 14 14 ASN C C 14 175.800 175.800 174.598 1.202 25800 6558 1 14 . 1 1 14 14 ASN CA C 14 53.600 53.600 53.800 -0.200 25800 6559 1 14 . 1 1 14 14 ASN CB C 14 37.700 37.700 36.739 0.961 25800 6560 1 14 . 1 1 14 14 ASN H H 14 8.800 8.800 7.615 1.185 25800 6561 1 14 . 1 1 15 15 LEU N N 15 115.800 115.800 120.944 -5.144 25800 6562 1 14 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.458 0.532 25800 6563 1 14 . 1 1 15 15 LEU CA C 15 55.600 55.600 52.873 2.727 25800 6564 1 14 . 1 1 15 15 LEU CB C 15 41.600 41.600 42.947 -1.347 25800 6565 1 14 . 1 1 15 15 LEU H H 15 7.150 7.150 7.351 -0.201 25800 6566 1 14 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.634 -0.564 25800 6567 1 14 . 1 1 16 16 PRO C C 16 171.500 171.500 177.576 -6.076 25800 6568 1 14 . 1 1 16 16 PRO CA C 16 62.500 62.500 61.839 0.661 25800 6569 1 14 . 1 1 16 16 PRO CB C 16 32.000 32.000 32.887 -0.887 25800 6570 1 14 . 1 1 17 17 SER N N 17 115.200 115.200 115.694 -0.494 25800 6571 1 14 . 1 1 17 17 SER HA H 17 4.300 4.300 4.303 -0.003 25800 6572 1 14 . 1 1 17 17 SER C C 17 174.200 174.200 174.881 -0.681 25800 6573 1 14 . 1 1 17 17 SER CA C 17 58.200 58.200 57.929 0.271 25800 6574 1 14 . 1 1 17 17 SER CB C 17 63.900 63.900 62.030 1.870 25800 6575 1 14 . 1 1 17 17 SER H H 17 8.470 8.470 8.461 0.009 25800 6576 1 14 . 1 1 18 18 HIS N N 18 120.800 120.800 122.075 -1.275 25800 6577 1 14 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.457 0.093 25800 6578 1 14 . 1 1 18 18 HIS C C 18 175.100 175.100 174.858 0.242 25800 6579 1 14 . 1 1 18 18 HIS CA C 18 55.500 55.500 57.508 -2.008 25800 6580 1 14 . 1 1 18 18 HIS CB C 18 29.300 29.300 30.459 -1.159 25800 6581 1 14 . 1 1 18 18 HIS H H 18 8.540 8.540 8.261 0.279 25800 6582 1 14 . 1 1 19 19 VAL N N 19 115.700 115.700 115.569 0.131 25800 6583 1 14 . 1 1 19 19 VAL HA H 19 4.260 4.260 4.441 -0.181 25800 6584 1 14 . 1 1 19 19 VAL C C 19 174.000 174.000 174.816 -0.816 25800 6585 1 14 . 1 1 19 19 VAL CA C 19 61.900 61.900 60.382 1.518 25800 6586 1 14 . 1 1 19 19 VAL CB C 19 32.600 32.600 34.528 -1.928 25800 6587 1 14 . 1 1 19 19 VAL H H 19 6.650 6.650 7.299 -0.649 25800 6588 1 14 . 1 1 20 20 SER N N 20 118.800 118.800 120.000 -1.200 25800 6589 1 14 . 1 1 20 20 SER HA H 20 4.710 4.710 4.782 -0.072 25800 6590 1 14 . 1 1 20 20 SER C C 20 175.900 175.900 175.549 0.351 25800 6591 1 14 . 1 1 20 20 SER CA C 20 55.800 55.800 56.680 -0.880 25800 6592 1 14 . 1 1 20 20 SER CB C 20 66.600 66.600 64.718 1.882 25800 6593 1 14 . 1 1 20 20 SER H H 20 8.930 8.930 8.257 0.673 25800 6594 1 14 . 1 1 21 21 SER N N 21 117.100 117.100 116.050 1.050 25800 6595 1 14 . 1 1 21 21 SER HA H 21 3.880 3.880 4.133 -0.253 25800 6596 1 14 . 1 1 21 21 SER C C 21 176.200 176.200 176.283 -0.083 25800 6597 1 14 . 1 1 21 21 SER CA C 21 62.300 62.300 60.893 1.407 25800 6598 1 14 . 1 1 21 21 SER CB C 21 66.800 66.800 62.776 4.024 25800 6599 1 14 . 1 1 21 21 SER H H 21 9.080 9.080 8.831 0.249 25800 6600 1 14 . 1 1 22 22 ARG N N 22 121.200 121.200 122.958 -1.758 25800 6601 1 14 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.115 -0.125 25800 6602 1 14 . 1 1 22 22 ARG C C 22 177.900 177.900 178.244 -0.344 25800 6603 1 14 . 1 1 22 22 ARG CA C 22 58.700 58.700 58.760 -0.060 25800 6604 1 14 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.642 -0.042 25800 6605 1 14 . 1 1 22 22 ARG H H 22 7.940 7.940 7.758 0.182 25800 6606 1 14 . 1 1 23 23 ASP N N 23 118.800 118.800 119.081 -0.281 25800 6607 1 14 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.530 -0.140 25800 6608 1 14 . 1 1 23 23 ASP C C 23 179.200 179.200 178.378 0.822 25800 6609 1 14 . 1 1 23 23 ASP CA C 23 57.300 57.300 56.833 0.467 25800 6610 1 14 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.546 0.454 25800 6611 1 14 . 1 1 23 23 ASP H H 23 7.480 7.480 7.658 -0.178 25800 6612 1 14 . 1 1 24 24 VAL N N 24 119.500 119.500 119.961 -0.461 25800 6613 1 14 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.735 -0.365 25800 6614 1 14 . 1 1 24 24 VAL C C 24 177.500 177.500 177.462 0.038 25800 6615 1 14 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.951 -0.051 25800 6616 1 14 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.744 -0.344 25800 6617 1 14 . 1 1 24 24 VAL H H 24 7.450 7.450 8.158 -0.708 25800 6618 1 14 . 1 1 25 25 GLU N N 25 121.400 121.400 120.480 0.920 25800 6619 1 14 . 1 1 25 25 GLU HA H 25 3.570 3.570 3.974 -0.404 25800 6620 1 14 . 1 1 25 25 GLU C C 25 178.400 178.400 178.685 -0.285 25800 6621 1 14 . 1 1 25 25 GLU CA C 25 60.600 60.600 60.129 0.471 25800 6622 1 14 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.347 0.253 25800 6623 1 14 . 1 1 25 25 GLU H H 25 8.580 8.580 7.918 0.662 25800 6624 1 14 . 1 1 26 26 ASN N N 26 114.800 114.800 117.621 -2.821 25800 6625 1 14 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.434 -0.114 25800 6626 1 14 . 1 1 26 26 ASN C C 26 177.400 177.400 178.078 -0.678 25800 6627 1 14 . 1 1 26 26 ASN CA C 26 55.900 55.900 56.460 -0.560 25800 6628 1 14 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.450 -0.550 25800 6629 1 14 . 1 1 26 26 ASN H H 26 8.180 8.180 7.907 0.273 25800 6630 1 14 . 1 1 27 27 GLU N N 27 118.900 118.900 120.593 -1.693 25800 6631 1 14 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.138 0.002 25800 6632 1 14 . 1 1 27 27 GLU C C 27 176.400 176.400 179.087 -2.687 25800 6633 1 14 . 1 1 27 27 GLU CA C 27 57.400 57.400 59.037 -1.637 25800 6634 1 14 . 1 1 27 27 GLU CB C 27 29.400 29.400 29.648 -0.248 25800 6635 1 14 . 1 1 27 27 GLU H H 27 7.340 7.340 8.245 -0.905 25800 6636 1 14 . 1 1 28 28 PHE N N 28 114.100 114.100 118.493 -4.393 25800 6637 1 14 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.493 0.057 25800 6638 1 14 . 1 1 28 28 PHE C C 28 176.300 176.300 178.417 -2.117 25800 6639 1 14 . 1 1 28 28 PHE CA C 28 60.000 60.000 60.788 -0.788 25800 6640 1 14 . 1 1 28 28 PHE CB C 28 40.800 40.800 39.200 1.600 25800 6641 1 14 . 1 1 28 28 PHE H H 28 7.660 7.660 8.404 -0.744 25800 6642 1 14 . 1 1 29 29 ARG N N 29 121.700 121.700 119.327 2.373 25800 6643 1 14 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.134 0.276 25800 6644 1 14 . 1 1 29 29 ARG C C 29 177.100 177.100 177.192 -0.092 25800 6645 1 14 . 1 1 29 29 ARG CA C 29 58.200 58.200 58.915 -0.715 25800 6646 1 14 . 1 1 29 29 ARG CB C 29 29.300 29.300 30.239 -0.939 25800 6647 1 14 . 1 1 29 29 ARG H H 29 8.120 8.120 8.210 -0.090 25800 6648 1 14 . 1 1 30 30 LYS N N 30 117.200 117.200 117.099 0.101 25800 6649 1 14 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.194 -0.364 25800 6650 1 14 . 1 1 30 30 LYS C C 30 177.100 177.100 178.563 -1.463 25800 6651 1 14 . 1 1 30 30 LYS CA C 30 57.800 57.800 58.013 -0.213 25800 6652 1 14 . 1 1 30 30 LYS CB C 30 31.100 31.100 31.900 -0.800 25800 6653 1 14 . 1 1 30 30 LYS H H 30 7.630 7.630 7.745 -0.115 25800 6654 1 14 . 1 1 31 31 TYR N N 31 117.100 117.100 120.085 -2.985 25800 6655 1 14 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.380 -0.230 25800 6656 1 14 . 1 1 31 31 TYR C C 31 174.400 174.400 177.082 -2.682 25800 6657 1 14 . 1 1 31 31 TYR CA C 31 59.900 59.900 60.651 -0.751 25800 6658 1 14 . 1 1 31 31 TYR CB C 31 37.900 37.900 39.505 -1.605 25800 6659 1 14 . 1 1 31 31 TYR H H 31 7.410 7.410 8.104 -0.694 25800 6660 1 14 . 1 1 32 32 GLY N N 32 104.100 104.100 103.715 0.385 25800 6661 1 14 . 1 1 32 32 GLY C C 32 177.000 177.000 172.734 4.266 25800 6662 1 14 . 1 1 32 32 GLY CA C 32 44.500 44.500 45.107 -0.607 25800 6663 1 14 . 1 1 32 32 GLY H H 32 7.240 7.240 7.890 -0.650 25800 6664 1 14 . 1 1 33 33 ASN N N 33 115.300 115.300 122.101 -6.801 25800 6665 1 14 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.728 -0.288 25800 6666 1 14 . 1 1 33 33 ASN C C 33 175.500 175.500 174.481 1.019 25800 6667 1 14 . 1 1 33 33 ASN CA C 33 54.300 54.300 53.664 0.635 25800 6668 1 14 . 1 1 33 33 ASN CB C 33 38.400 38.400 38.117 0.283 25800 6669 1 14 . 1 1 33 33 ASN H H 33 8.460 8.460 8.777 -0.317 25800 6670 1 14 . 1 1 34 34 ILE N N 34 126.700 126.700 123.365 3.335 25800 6671 1 14 . 1 1 34 34 ILE HA H 34 3.790 3.790 3.136 0.654 25800 6672 1 14 . 1 1 34 34 ILE C C 34 175.600 175.600 175.395 0.205 25800 6673 1 14 . 1 1 34 34 ILE CA C 34 61.300 61.300 61.135 0.166 25800 6674 1 14 . 1 1 34 34 ILE CB C 34 40.000 40.000 37.981 2.018 25800 6675 1 14 . 1 1 34 34 ILE H H 34 8.050 8.050 7.829 0.221 25800 6676 1 14 . 1 1 35 35 LEU N N 35 127.400 127.400 128.815 -1.415 25800 6677 1 14 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.392 -0.232 25800 6678 1 14 . 1 1 35 35 LEU C C 35 177.200 177.200 176.497 0.703 25800 6679 1 14 . 1 1 35 35 LEU CA C 35 55.500 55.500 55.429 0.071 25800 6680 1 14 . 1 1 35 35 LEU CB C 35 42.700 42.700 42.742 -0.042 25800 6681 1 14 . 1 1 35 35 LEU H H 35 8.780 8.780 8.862 -0.082 25800 6682 1 14 . 1 1 36 36 LYS N N 36 117.000 117.000 118.304 -1.304 25800 6683 1 14 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.570 -0.330 25800 6684 1 14 . 1 1 36 36 LYS C C 36 173.600 173.600 173.961 -0.361 25800 6685 1 14 . 1 1 36 36 LYS CA C 36 55.900 55.900 55.136 0.764 25800 6686 1 14 . 1 1 36 36 LYS CB C 36 36.600 36.600 36.628 -0.028 25800 6687 1 14 . 1 1 36 36 LYS H H 36 7.110 7.110 7.479 -0.369 25800 6688 1 14 . 1 1 37 37 CYS N N 37 125.400 125.400 119.249 6.151 25800 6689 1 14 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.681 -0.981 25800 6690 1 14 . 1 1 37 37 CYS C C 37 171.600 171.600 173.096 -1.496 25800 6691 1 14 . 1 1 37 37 CYS CA C 37 57.900 57.900 56.721 1.179 25800 6692 1 14 . 1 1 37 37 CYS CB C 37 27.100 27.100 31.973 -4.873 25800 6693 1 14 . 1 1 37 37 CYS H H 37 8.610 8.610 8.459 0.151 25800 6694 1 14 . 1 1 38 38 ASP N N 38 128.200 128.200 120.098 8.102 25800 6695 1 14 . 1 1 38 38 ASP HA H 38 4.950 4.950 4.891 0.059 25800 6696 1 14 . 1 1 38 38 ASP C C 38 174.300 174.300 173.777 0.523 25800 6697 1 14 . 1 1 38 38 ASP CA C 38 53.200 53.200 53.917 -0.717 25800 6698 1 14 . 1 1 38 38 ASP CB C 38 44.300 44.300 44.796 -0.496 25800 6699 1 14 . 1 1 38 38 ASP H H 38 8.290 8.290 8.790 -0.500 25800 6700 1 14 . 1 1 39 39 VAL N N 39 123.500 123.500 117.276 6.224 25800 6701 1 14 . 1 1 39 39 VAL HA H 39 4.300 4.300 5.234 -0.934 25800 6702 1 14 . 1 1 39 39 VAL C C 39 175.000 175.000 174.775 0.225 25800 6703 1 14 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.496 1.204 25800 6704 1 14 . 1 1 39 39 VAL CB C 39 33.100 33.100 33.936 -0.836 25800 6705 1 14 . 1 1 39 39 VAL H H 39 8.380 8.380 8.409 -0.029 25800 6706 1 14 . 1 1 40 40 LYS N N 40 129.100 129.100 126.205 2.895 25800 6707 1 14 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.720 -0.400 25800 6708 1 14 . 1 1 40 40 LYS C C 40 173.700 173.700 175.287 -1.587 25800 6709 1 14 . 1 1 40 40 LYS CA C 40 53.900 53.900 55.779 -1.879 25800 6710 1 14 . 1 1 40 40 LYS CB C 40 35.500 35.500 34.867 0.633 25800 6711 1 14 . 1 1 40 40 LYS H H 40 8.680 8.680 9.206 -0.526 25800 6712 1 14 . 1 1 41 41 LYS N N 41 117.300 117.300 120.811 -3.511 25800 6713 1 14 . 1 1 41 41 LYS HA H 41 4.980 4.980 5.588 -0.608 25800 6714 1 14 . 1 1 41 41 LYS C C 41 177.800 177.800 175.493 2.307 25800 6715 1 14 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.640 -0.040 25800 6716 1 14 . 1 1 41 41 LYS CB C 41 35.000 35.000 35.810 -0.810 25800 6717 1 14 . 1 1 41 41 LYS H H 41 7.900 7.900 8.336 -0.436 25800 6718 1 14 . 1 1 42 42 THR N N 42 113.200 113.200 111.390 1.810 25800 6719 1 14 . 1 1 42 42 THR HA H 42 4.680 4.680 4.724 -0.044 25800 6720 1 14 . 1 1 42 42 THR C C 42 176.900 176.900 176.125 0.775 25800 6721 1 14 . 1 1 42 42 THR CA C 42 60.200 60.200 60.713 -0.513 25800 6722 1 14 . 1 1 42 42 THR CB C 42 71.600 71.600 70.544 1.056 25800 6723 1 14 . 1 1 42 42 THR H H 42 8.730 8.730 8.368 0.362 25800 6724 1 14 . 1 1 43 43 VAL N N 43 120.000 120.000 120.698 -0.698 25800 6725 1 14 . 1 1 43 43 VAL HA H 43 3.920 3.920 3.939 -0.019 25800 6726 1 14 . 1 1 43 43 VAL C C 43 177.000 177.000 176.892 0.108 25800 6727 1 14 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.592 0.108 25800 6728 1 14 . 1 1 43 43 VAL CB C 43 31.800 31.800 31.596 0.204 25800 6729 1 14 . 1 1 43 43 VAL H H 43 8.730 8.730 8.638 0.092 25800 6730 1 14 . 1 1 44 44 SER N N 44 113.400 113.400 114.879 -1.479 25800 6731 1 14 . 1 1 44 44 SER HA H 44 4.360 4.360 4.402 -0.042 25800 6732 1 14 . 1 1 44 44 SER C C 44 174.800 174.800 175.627 -0.827 25800 6733 1 14 . 1 1 44 44 SER CA C 44 58.400 58.400 58.918 -0.518 25800 6734 1 14 . 1 1 44 44 SER CB C 44 63.500 63.500 63.567 -0.067 25800 6735 1 14 . 1 1 44 44 SER H H 44 7.760 7.760 7.994 -0.234 25800 6736 1 14 . 1 1 45 45 GLY N N 45 110.200 110.200 108.796 1.404 25800 6737 1 14 . 1 1 45 45 GLY C C 45 173.500 173.500 174.111 -0.611 25800 6738 1 14 . 1 1 45 45 GLY CA C 45 45.300 45.300 45.557 -0.257 25800 6739 1 14 . 1 1 45 45 GLY H H 45 7.820 7.820 7.990 -0.170 25800 6740 1 14 . 1 1 46 46 ALA N N 46 123.900 123.900 123.696 0.204 25800 6741 1 14 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.187 0.203 25800 6742 1 14 . 1 1 46 46 ALA C C 46 176.100 176.100 176.075 0.025 25800 6743 1 14 . 1 1 46 46 ALA CA C 46 51.900 51.900 52.095 -0.195 25800 6744 1 14 . 1 1 46 46 ALA CB C 46 19.800 19.800 19.514 0.286 25800 6745 1 14 . 1 1 46 46 ALA H H 46 7.440 7.440 7.912 -0.472 25800 6746 1 14 . 1 1 47 47 ALA N N 47 123.100 123.100 124.672 -1.572 25800 6747 1 14 . 1 1 47 47 ALA HA H 47 5.200 5.200 5.315 -0.115 25800 6748 1 14 . 1 1 47 47 ALA C C 47 176.100 176.100 175.542 0.558 25800 6749 1 14 . 1 1 47 47 ALA CA C 47 50.900 50.900 50.217 0.683 25800 6750 1 14 . 1 1 47 47 ALA CB C 47 21.900 21.900 22.083 -0.183 25800 6751 1 14 . 1 1 47 47 ALA H H 47 8.350 8.350 8.120 0.230 25800 6752 1 14 . 1 1 48 48 PHE N N 48 118.700 118.700 116.743 1.957 25800 6753 1 14 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.104 -0.074 25800 6754 1 14 . 1 1 48 48 PHE C C 48 171.600 171.600 174.070 -2.470 25800 6755 1 14 . 1 1 48 48 PHE CA C 48 55.700 55.700 57.044 -1.344 25800 6756 1 14 . 1 1 48 48 PHE CB C 48 41.200 41.200 43.737 -2.537 25800 6757 1 14 . 1 1 48 48 PHE H H 48 8.550 8.550 9.083 -0.533 25800 6758 1 14 . 1 1 49 49 ALA N N 49 120.400 120.400 124.607 -4.207 25800 6759 1 14 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.030 0.300 25800 6760 1 14 . 1 1 49 49 ALA C C 49 175.500 175.500 175.500 0.000 25800 6761 1 14 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.429 -1.129 25800 6762 1 14 . 1 1 49 49 ALA CB C 49 23.700 23.700 21.093 2.607 25800 6763 1 14 . 1 1 49 49 ALA H H 49 9.240 9.240 8.448 0.792 25800 6764 1 14 . 1 1 50 50 PHE N N 50 115.000 115.000 120.635 -5.635 25800 6765 1 14 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.618 -0.018 25800 6766 1 14 . 1 1 50 50 PHE C C 50 176.000 176.000 174.202 1.798 25800 6767 1 14 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.701 -0.201 25800 6768 1 14 . 1 1 50 50 PHE CB C 50 42.200 42.200 43.576 -1.376 25800 6769 1 14 . 1 1 50 50 PHE H H 50 7.920 7.920 8.686 -0.766 25800 6770 1 14 . 1 1 51 51 ILE N N 51 123.000 123.000 120.347 2.653 25800 6771 1 14 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.827 -0.377 25800 6772 1 14 . 1 1 51 51 ILE C C 51 173.700 173.700 174.080 -0.380 25800 6773 1 14 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.283 -0.083 25800 6774 1 14 . 1 1 51 51 ILE CB C 51 40.700 40.700 42.351 -1.651 25800 6775 1 14 . 1 1 51 51 ILE H H 51 8.490 8.490 9.053 -0.563 25800 6776 1 14 . 1 1 52 52 GLU N N 52 126.600 126.600 124.331 2.269 25800 6777 1 14 . 1 1 52 52 GLU HA H 52 4.770 4.770 5.079 -0.309 25800 6778 1 14 . 1 1 52 52 GLU C C 52 175.300 175.300 174.843 0.457 25800 6779 1 14 . 1 1 52 52 GLU CA C 52 54.700 54.700 54.691 0.009 25800 6780 1 14 . 1 1 52 52 GLU CB C 52 31.500 31.500 33.342 -1.842 25800 6781 1 14 . 1 1 52 52 GLU H H 52 8.610 8.610 9.077 -0.467 25800 6782 1 14 . 1 1 53 53 PHE N N 53 126.100 126.100 123.927 2.173 25800 6783 1 14 . 1 1 53 53 PHE HA H 53 4.800 4.800 5.350 -0.550 25800 6784 1 14 . 1 1 53 53 PHE C C 53 175.400 175.400 175.587 -0.187 25800 6785 1 14 . 1 1 53 53 PHE CA C 53 58.200 58.200 57.036 1.164 25800 6786 1 14 . 1 1 53 53 PHE CB C 53 40.900 40.900 43.536 -2.636 25800 6787 1 14 . 1 1 53 53 PHE H H 53 8.800 8.800 9.124 -0.324 25800 6788 1 14 . 1 1 54 54 GLU N N 54 120.700 120.700 122.808 -2.108 25800 6789 1 14 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.299 -0.369 25800 6790 1 14 . 1 1 54 54 GLU C C 54 175.300 175.300 176.838 -1.538 25800 6791 1 14 . 1 1 54 54 GLU CA C 54 59.100 59.100 57.958 1.143 25800 6792 1 14 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.269 0.531 25800 6793 1 14 . 1 1 54 54 GLU H H 54 8.160 8.160 8.488 -0.328 25800 6794 1 14 . 1 1 55 55 ASP N N 55 117.900 117.900 121.849 -3.949 25800 6795 1 14 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.906 0.014 25800 6796 1 14 . 1 1 55 55 ASP C C 55 176.400 176.400 175.483 0.917 25800 6797 1 14 . 1 1 55 55 ASP CA C 55 52.400 52.400 52.790 -0.390 25800 6798 1 14 . 1 1 55 55 ASP CB C 55 44.400 44.400 39.996 4.404 25800 6799 1 14 . 1 1 55 55 ASP H H 55 8.740 8.740 8.041 0.699 25800 6800 1 14 . 1 1 56 56 ALA N N 56 128.900 128.900 123.868 5.032 25800 6801 1 14 . 1 1 56 56 ALA HA H 56 3.830 3.830 2.799 1.031 25800 6802 1 14 . 1 1 56 56 ALA C C 56 179.800 179.800 178.066 1.734 25800 6803 1 14 . 1 1 56 56 ALA CA C 56 55.200 55.200 54.939 0.261 25800 6804 1 14 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.172 0.728 25800 6805 1 14 . 1 1 56 56 ALA H H 56 8.800 8.800 7.647 1.153 25800 6806 1 14 . 1 1 57 57 ARG N N 57 119.200 119.200 116.694 2.506 25800 6807 1 14 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.201 -0.311 25800 6808 1 14 . 1 1 57 57 ARG C C 57 178.000 178.000 175.866 2.134 25800 6809 1 14 . 1 1 57 57 ARG CA C 57 58.900 58.900 57.170 1.730 25800 6810 1 14 . 1 1 57 57 ARG CB C 57 29.300 29.300 28.692 0.608 25800 6811 1 14 . 1 1 57 57 ARG H H 57 8.950 8.950 7.898 1.052 25800 6812 1 14 . 1 1 58 58 ASP N N 58 120.900 120.900 120.650 0.250 25800 6813 1 14 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.706 -0.616 25800 6814 1 14 . 1 1 58 58 ASP C C 58 176.700 176.700 177.033 -0.333 25800 6815 1 14 . 1 1 58 58 ASP CA C 58 56.500 56.500 55.584 0.916 25800 6816 1 14 . 1 1 58 58 ASP CB C 58 39.900 39.900 42.191 -2.291 25800 6817 1 14 . 1 1 58 58 ASP H H 58 7.020 7.020 7.604 -0.584 25800 6818 1 14 . 1 1 59 59 ALA N N 59 119.700 119.700 122.980 -3.280 25800 6819 1 14 . 1 1 59 59 ALA HA H 59 3.080 3.080 4.503 -1.423 25800 6820 1 14 . 1 1 59 59 ALA C C 59 178.100 178.100 179.096 -0.996 25800 6821 1 14 . 1 1 59 59 ALA CA C 59 54.300 54.300 54.206 0.094 25800 6822 1 14 . 1 1 59 59 ALA CB C 59 18.400 18.400 18.539 -0.139 25800 6823 1 14 . 1 1 59 59 ALA H H 59 6.440 6.440 8.072 -1.632 25800 6824 1 14 . 1 1 60 60 ALA N N 60 117.600 117.600 121.830 -4.230 25800 6825 1 14 . 1 1 60 60 ALA HA H 60 3.830 3.830 4.109 -0.279 25800 6826 1 14 . 1 1 60 60 ALA C C 60 180.900 180.900 179.267 1.633 25800 6827 1 14 . 1 1 60 60 ALA CA C 60 54.900 54.900 55.539 -0.639 25800 6828 1 14 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.260 -0.560 25800 6829 1 14 . 1 1 60 60 ALA H H 60 7.330 7.330 8.093 -0.763 25800 6830 1 14 . 1 1 61 61 ASP N N 61 120.100 120.100 119.018 1.082 25800 6831 1 14 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.375 -0.165 25800 6832 1 14 . 1 1 61 61 ASP C C 61 176.700 176.700 178.175 -1.475 25800 6833 1 14 . 1 1 61 61 ASP CA C 61 57.100 57.100 57.116 -0.016 25800 6834 1 14 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.279 -0.179 25800 6835 1 14 . 1 1 61 61 ASP H H 61 7.590 7.590 7.984 -0.394 25800 6836 1 14 . 1 1 62 62 ALA N N 62 122.200 122.200 121.499 0.701 25800 6837 1 14 . 1 1 62 62 ALA HA H 62 2.420 2.420 3.991 -1.571 25800 6838 1 14 . 1 1 62 62 ALA C C 62 179.300 179.300 179.243 0.057 25800 6839 1 14 . 1 1 62 62 ALA CA C 62 54.600 54.600 54.337 0.263 25800 6840 1 14 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.185 0.915 25800 6841 1 14 . 1 1 62 62 ALA H H 62 7.440 7.440 7.883 -0.443 25800 6842 1 14 . 1 1 63 63 ILE N N 63 116.700 116.700 117.941 -1.241 25800 6843 1 14 . 1 1 63 63 ILE HA H 63 3.240 3.240 4.111 -0.871 25800 6844 1 14 . 1 1 63 63 ILE C C 63 177.800 177.800 178.308 -0.508 25800 6845 1 14 . 1 1 63 63 ILE CA C 63 65.600 65.600 63.328 2.272 25800 6846 1 14 . 1 1 63 63 ILE CB C 63 38.900 38.900 38.086 0.815 25800 6847 1 14 . 1 1 63 63 ILE H H 63 7.540 7.540 7.793 -0.253 25800 6848 1 14 . 1 1 64 64 LYS N N 64 117.400 117.400 119.748 -2.348 25800 6849 1 14 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.196 -0.296 25800 6850 1 14 . 1 1 64 64 LYS C C 64 178.900 178.900 178.718 0.182 25800 6851 1 14 . 1 1 64 64 LYS CA C 64 58.800 58.800 57.915 0.885 25800 6852 1 14 . 1 1 64 64 LYS CB C 64 32.600 32.600 31.257 1.343 25800 6853 1 14 . 1 1 64 64 LYS H H 64 7.490 7.490 8.419 -0.929 25800 6854 1 14 . 1 1 65 65 GLU N N 65 113.800 113.800 118.632 -4.832 25800 6855 1 14 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.280 -0.120 25800 6856 1 14 . 1 1 65 65 GLU C C 65 178.300 178.300 177.088 1.212 25800 6857 1 14 . 1 1 65 65 GLU CA C 65 58.300 58.300 58.066 0.234 25800 6858 1 14 . 1 1 65 65 GLU CB C 65 30.700 30.700 28.922 1.778 25800 6859 1 14 . 1 1 65 65 GLU H H 65 7.960 7.960 8.056 -0.096 25800 6860 1 14 . 1 1 66 66 LYS N N 66 114.700 114.700 118.424 -3.724 25800 6861 1 14 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.692 -0.222 25800 6862 1 14 . 1 1 66 66 LYS C C 66 177.500 177.500 175.816 1.684 25800 6863 1 14 . 1 1 66 66 LYS CA C 66 54.400 54.400 54.794 -0.394 25800 6864 1 14 . 1 1 66 66 LYS CB C 66 33.000 33.000 32.614 0.386 25800 6865 1 14 . 1 1 66 66 LYS H H 66 8.050 8.050 7.884 0.166 25800 6866 1 14 . 1 1 67 67 ASP N N 67 118.800 118.800 120.774 -1.974 25800 6867 1 14 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.547 -0.327 25800 6868 1 14 . 1 1 67 67 ASP C C 67 177.700 177.700 177.457 0.243 25800 6869 1 14 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.108 4.292 25800 6870 1 14 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.275 0.125 25800 6871 1 14 . 1 1 67 67 ASP H H 67 7.620 7.620 7.533 0.087 25800 6872 1 14 . 1 1 68 68 GLY N N 68 115.600 115.600 107.474 8.126 25800 6873 1 14 . 1 1 68 68 GLY C C 68 173.800 173.800 174.550 -0.750 25800 6874 1 14 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.738 1.162 25800 6875 1 14 . 1 1 68 68 GLY H H 68 8.470 8.470 8.543 -0.073 25800 6876 1 14 . 1 1 69 69 CYS N N 69 119.200 119.200 120.675 -1.475 25800 6877 1 14 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.804 -0.644 25800 6878 1 14 . 1 1 69 69 CYS C C 69 172.600 172.600 174.113 -1.513 25800 6879 1 14 . 1 1 69 69 CYS CA C 69 58.000 58.000 57.770 0.230 25800 6880 1 14 . 1 1 69 69 CYS CB C 69 28.700 28.700 29.619 -0.918 25800 6881 1 14 . 1 1 69 69 CYS H H 69 7.890 7.890 8.263 -0.373 25800 6882 1 14 . 1 1 70 70 ASP N N 70 122.200 122.200 122.239 -0.039 25800 6883 1 14 . 1 1 70 70 ASP HA H 70 4.830 4.830 4.646 0.184 25800 6884 1 14 . 1 1 70 70 ASP C C 70 176.400 176.400 174.621 1.779 25800 6885 1 14 . 1 1 70 70 ASP CA C 70 54.700 54.700 53.893 0.807 25800 6886 1 14 . 1 1 70 70 ASP CB C 70 42.700 42.700 44.558 -1.858 25800 6887 1 14 . 1 1 70 70 ASP H H 70 8.360 8.360 8.751 -0.391 25800 6888 1 14 . 1 1 71 71 PHE N N 71 127.600 127.600 119.124 8.476 25800 6889 1 14 . 1 1 71 71 PHE HA H 71 4.600 4.600 4.981 -0.381 25800 6890 1 14 . 1 1 71 71 PHE C C 71 173.600 173.600 175.567 -1.967 25800 6891 1 14 . 1 1 71 71 PHE CA C 71 56.800 56.800 57.276 -0.476 25800 6892 1 14 . 1 1 71 71 PHE CB C 71 40.700 40.700 41.707 -1.007 25800 6893 1 14 . 1 1 71 71 PHE H H 71 9.390 9.390 7.517 1.873 25800 6894 1 14 . 1 1 72 72 GLU N N 72 123.900 123.900 118.734 5.166 25800 6895 1 14 . 1 1 72 72 GLU HA H 72 3.540 3.540 4.061 -0.521 25800 6896 1 14 . 1 1 72 72 GLU C C 72 175.500 175.500 175.771 -0.271 25800 6897 1 14 . 1 1 72 72 GLU CA C 72 56.700 56.700 58.147 -1.447 25800 6898 1 14 . 1 1 72 72 GLU CB C 72 27.300 27.300 28.588 -1.288 25800 6899 1 14 . 1 1 72 72 GLU H H 72 8.940 8.940 9.253 -0.313 25800 6900 1 14 . 1 1 73 73 GLY N N 73 105.200 105.200 105.648 -0.448 25800 6901 1 14 . 1 1 73 73 GLY C C 73 174.100 174.100 174.477 -0.377 25800 6902 1 14 . 1 1 73 73 GLY CA C 73 45.600 45.600 45.223 0.377 25800 6903 1 14 . 1 1 73 73 GLY H H 73 8.350 8.350 8.089 0.261 25800 6904 1 14 . 1 1 74 74 ASN N N 74 121.000 121.000 120.291 0.709 25800 6905 1 14 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.659 0.101 25800 6906 1 14 . 1 1 74 74 ASN C C 74 174.000 174.000 173.717 0.283 25800 6907 1 14 . 1 1 74 74 ASN CA C 74 50.900 50.900 53.119 -2.219 25800 6908 1 14 . 1 1 74 74 ASN CB C 74 39.700 39.700 39.096 0.604 25800 6909 1 14 . 1 1 74 74 ASN H H 74 7.740 7.740 8.283 -0.543 25800 6910 1 14 . 1 1 75 75 LYS N N 75 121.400 121.400 119.449 1.951 25800 6911 1 14 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.838 -0.368 25800 6912 1 14 . 1 1 75 75 LYS C C 75 176.900 176.900 175.064 1.836 25800 6913 1 14 . 1 1 75 75 LYS CA C 75 55.300 55.300 55.544 -0.244 25800 6914 1 14 . 1 1 75 75 LYS CB C 75 31.900 31.900 34.743 -2.843 25800 6915 1 14 . 1 1 75 75 LYS H H 75 8.380 8.380 8.221 0.159 25800 6916 1 14 . 1 1 76 76 LEU N N 76 127.400 127.400 123.331 4.069 25800 6917 1 14 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.654 -0.224 25800 6918 1 14 . 1 1 76 76 LEU C C 76 177.600 177.600 174.207 3.393 25800 6919 1 14 . 1 1 76 76 LEU CA C 76 55.300 55.300 55.023 0.277 25800 6920 1 14 . 1 1 76 76 LEU CB C 76 43.100 43.100 46.526 -3.426 25800 6921 1 14 . 1 1 76 76 LEU H H 76 8.950 8.950 8.756 0.194 25800 6922 1 14 . 1 1 77 77 ARG N N 77 121.800 121.800 126.227 -4.427 25800 6923 1 14 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.725 0.175 25800 6924 1 14 . 1 1 77 77 ARG C C 77 174.700 174.700 174.687 0.013 25800 6925 1 14 . 1 1 77 77 ARG CA C 77 54.000 54.000 54.566 -0.566 25800 6926 1 14 . 1 1 77 77 ARG CB C 77 32.300 32.300 31.472 0.828 25800 6927 1 14 . 1 1 77 77 ARG H H 77 7.530 7.530 8.601 -1.071 25800 6928 1 14 . 1 1 78 78 VAL N N 78 127.000 127.000 125.909 1.091 25800 6929 1 14 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.144 1.136 25800 6930 1 14 . 1 1 78 78 VAL C C 78 174.200 174.200 175.859 -1.659 25800 6931 1 14 . 1 1 78 78 VAL CA C 78 61.200 61.200 63.908 -2.708 25800 6932 1 14 . 1 1 78 78 VAL CB C 78 33.400 33.400 31.896 1.504 25800 6933 1 14 . 1 1 78 78 VAL H H 78 9.660 9.660 8.531 1.129 25800 6934 1 14 . 1 1 79 79 GLU N N 79 121.900 121.900 128.689 -6.789 25800 6935 1 14 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.608 0.102 25800 6936 1 14 . 1 1 79 79 GLU C C 79 174.600 174.600 173.820 0.780 25800 6937 1 14 . 1 1 79 79 GLU CA C 79 53.900 53.900 55.521 -1.621 25800 6938 1 14 . 1 1 79 79 GLU CB C 79 34.400 34.400 34.393 0.007 25800 6939 1 14 . 1 1 79 79 GLU H H 79 8.980 8.980 8.680 0.300 25800 6940 1 14 . 1 1 80 80 VAL N N 80 121.300 121.300 123.413 -2.113 25800 6941 1 14 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.431 -0.061 25800 6942 1 14 . 1 1 80 80 VAL CA C 80 61.000 61.000 58.310 2.689 25800 6943 1 14 . 1 1 80 80 VAL CB C 80 32.100 32.100 33.648 -1.548 25800 6944 1 14 . 1 1 80 80 VAL H H 80 8.410 8.410 8.482 -0.072 25800 6945 1 14 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.676 -0.416 25800 6946 1 14 . 1 1 81 81 PRO C C 81 176.100 176.100 176.167 -0.067 25800 6947 1 14 . 1 1 81 81 PRO CA C 81 63.100 63.100 63.014 0.086 25800 6948 1 14 . 1 1 81 81 PRO CB C 81 32.100 32.100 29.591 2.509 25800 6949 1 14 . 1 1 82 82 PHE N N 82 122.200 122.200 121.048 1.152 25800 6950 1 14 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.526 -0.236 25800 6951 1 14 . 1 1 82 82 PHE C C 82 175.300 175.300 176.053 -0.753 25800 6952 1 14 . 1 1 82 82 PHE CA C 82 58.100 58.100 55.813 2.287 25800 6953 1 14 . 1 1 82 82 PHE CB C 82 39.400 39.400 38.979 0.421 25800 6954 1 14 . 1 1 82 82 PHE H H 82 8.150 8.150 8.158 -0.008 25800 6955 1 14 . 1 1 83 83 ASN N N 83 120.800 120.800 114.955 5.845 25800 6956 1 14 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.444 -0.004 25800 6957 1 14 . 1 1 83 83 ASN C C 83 174.100 174.100 174.859 -0.759 25800 6958 1 14 . 1 1 83 83 ASN CA C 83 52.700 52.700 53.414 -0.714 25800 6959 1 14 . 1 1 83 83 ASN CB C 83 38.700 38.700 38.064 0.636 25800 6960 1 14 . 1 1 83 83 ASN H H 83 8.110 8.110 8.388 -0.278 25800 6961 1 14 . 1 1 84 84 ALA N N 84 123.700 123.700 120.583 3.117 25800 6962 1 14 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.103 -0.023 25800 6963 1 14 . 1 1 84 84 ALA C C 84 177.100 177.100 176.570 0.530 25800 6964 1 14 . 1 1 84 84 ALA CA C 84 52.400 52.400 53.024 -0.624 25800 6965 1 14 . 1 1 84 84 ALA CB C 84 19.100 19.100 19.372 -0.272 25800 6966 1 14 . 1 1 84 84 ALA H H 84 8.020 8.020 8.288 -0.268 25800 6967 1 14 . 1 1 85 85 ARG N N 85 120.200 120.200 121.956 -1.756 25800 6968 1 14 . 1 1 85 85 ARG HA H 85 4.150 4.150 4.556 -0.406 25800 6969 1 14 . 1 1 85 85 ARG C C 85 175.200 175.200 175.480 -0.280 25800 6970 1 14 . 1 1 85 85 ARG CA C 85 56.000 56.000 55.340 0.660 25800 6971 1 14 . 1 1 85 85 ARG CB C 85 30.800 30.800 30.256 0.544 25800 6972 1 14 . 1 1 85 85 ARG H H 85 8.040 8.040 8.519 -0.479 25800 6973 1 15 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.784 -0.194 25800 6974 1 15 . 1 1 0 0 HIS C C 0 174.000 174.000 173.979 0.021 25800 6975 1 15 . 1 1 0 0 HIS CA C 0 55.300 55.300 56.001 -0.701 25800 6976 1 15 . 1 1 0 0 HIS CB C 0 29.300 29.300 31.529 -2.229 25800 6977 1 15 . 1 1 1 1 MET N N 1 122.400 122.400 123.731 -1.331 25800 6978 1 15 . 1 1 1 1 MET HA H 1 4.340 4.340 4.424 -0.084 25800 6979 1 15 . 1 1 1 1 MET C C 1 175.600 175.600 175.115 0.485 25800 6980 1 15 . 1 1 1 1 MET CA C 1 55.600 55.600 54.355 1.244 25800 6981 1 15 . 1 1 1 1 MET CB C 1 32.800 32.800 34.279 -1.479 25800 6982 1 15 . 1 1 1 1 MET H H 1 8.310 8.310 7.910 0.400 25800 6983 1 15 . 1 1 2 2 VAL N N 2 123.200 123.200 122.767 0.433 25800 6984 1 15 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.003 -0.043 25800 6985 1 15 . 1 1 2 2 VAL C C 2 175.600 175.600 175.849 -0.249 25800 6986 1 15 . 1 1 2 2 VAL CA C 2 62.300 62.300 62.677 -0.377 25800 6987 1 15 . 1 1 2 2 VAL CB C 2 32.300 32.300 33.024 -0.724 25800 6988 1 15 . 1 1 2 2 VAL H H 2 8.180 8.180 8.259 -0.079 25800 6989 1 15 . 1 1 3 3 ILE N N 3 126.200 126.200 129.483 -3.283 25800 6990 1 15 . 1 1 3 3 ILE HA H 3 4.050 4.050 4.058 -0.008 25800 6991 1 15 . 1 1 3 3 ILE C C 3 175.800 175.800 175.718 0.082 25800 6992 1 15 . 1 1 3 3 ILE CA C 3 60.700 60.700 62.394 -1.694 25800 6993 1 15 . 1 1 3 3 ILE CB C 3 38.300 38.300 37.151 1.149 25800 6994 1 15 . 1 1 3 3 ILE H H 3 8.230 8.230 8.481 -0.251 25800 6995 1 15 . 1 1 4 4 ARG N N 4 126.100 126.100 127.267 -1.167 25800 6996 1 15 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.480 -0.300 25800 6997 1 15 . 1 1 4 4 ARG C C 4 175.900 175.900 175.111 0.789 25800 6998 1 15 . 1 1 4 4 ARG CA C 4 56.000 56.000 55.545 0.455 25800 6999 1 15 . 1 1 4 4 ARG CB C 4 30.700 30.700 32.114 -1.413 25800 7000 1 15 . 1 1 4 4 ARG H H 4 8.360 8.360 8.559 -0.199 25800 7001 1 15 . 1 1 5 5 GLU N N 5 122.200 122.200 121.716 0.484 25800 7002 1 15 . 1 1 5 5 GLU HA H 5 4.140 4.140 4.025 0.115 25800 7003 1 15 . 1 1 5 5 GLU C C 5 176.100 176.100 175.470 0.630 25800 7004 1 15 . 1 1 5 5 GLU CA C 5 56.600 56.600 57.237 -0.637 25800 7005 1 15 . 1 1 5 5 GLU CB C 5 30.300 30.300 30.103 0.197 25800 7006 1 15 . 1 1 5 5 GLU H H 5 8.400 8.400 8.699 -0.299 25800 7007 1 15 . 1 1 6 6 SER N N 6 116.200 116.200 115.269 0.931 25800 7008 1 15 . 1 1 6 6 SER HA H 6 4.350 4.350 4.393 -0.043 25800 7009 1 15 . 1 1 6 6 SER C C 6 174.300 174.300 174.782 -0.482 25800 7010 1 15 . 1 1 6 6 SER CA C 6 58.200 58.200 58.094 0.106 25800 7011 1 15 . 1 1 6 6 SER CB C 6 63.800 63.800 64.091 -0.291 25800 7012 1 15 . 1 1 6 6 SER H H 6 8.270 8.270 8.175 0.095 25800 7013 1 15 . 1 1 7 7 VAL N N 7 119.800 119.800 118.999 0.801 25800 7014 1 15 . 1 1 7 7 VAL HA H 7 4.300 4.300 3.954 0.346 25800 7015 1 15 . 1 1 7 7 VAL C C 7 175.500 175.500 175.320 0.180 25800 7016 1 15 . 1 1 7 7 VAL CA C 7 61.700 61.700 63.071 -1.371 25800 7017 1 15 . 1 1 7 7 VAL CB C 7 32.800 32.800 30.241 2.559 25800 7018 1 15 . 1 1 7 7 VAL H H 7 7.840 7.840 8.277 -0.437 25800 7019 1 15 . 1 1 8 8 SER N N 8 117.800 117.800 116.382 1.418 25800 7020 1 15 . 1 1 8 8 SER HA H 8 4.240 4.240 4.336 -0.096 25800 7021 1 15 . 1 1 8 8 SER C C 8 172.500 172.500 173.681 -1.181 25800 7022 1 15 . 1 1 8 8 SER CA C 8 58.500 58.500 60.017 -1.517 25800 7023 1 15 . 1 1 8 8 SER CB C 8 63.600 63.600 63.830 -0.230 25800 7024 1 15 . 1 1 8 8 SER H H 8 8.530 8.530 8.044 0.486 25800 7025 1 15 . 1 1 9 9 ARG N N 9 123.000 123.000 124.663 -1.663 25800 7026 1 15 . 1 1 9 9 ARG HA H 9 5.500 5.500 5.266 0.234 25800 7027 1 15 . 1 1 9 9 ARG C C 9 175.000 175.000 175.019 -0.019 25800 7028 1 15 . 1 1 9 9 ARG CA C 9 54.300 54.300 55.354 -1.054 25800 7029 1 15 . 1 1 9 9 ARG CB C 9 33.400 33.400 34.070 -0.670 25800 7030 1 15 . 1 1 9 9 ARG H H 9 7.350 7.350 8.576 -1.226 25800 7031 1 15 . 1 1 10 10 ILE N N 10 114.000 114.000 124.724 -10.724 25800 7032 1 15 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.093 0.727 25800 7033 1 15 . 1 1 10 10 ILE C C 10 173.000 173.000 174.112 -1.112 25800 7034 1 15 . 1 1 10 10 ILE CA C 10 59.400 59.400 61.288 -1.888 25800 7035 1 15 . 1 1 10 10 ILE CB C 10 40.900 40.900 39.650 1.250 25800 7036 1 15 . 1 1 10 10 ILE H H 10 8.830 8.830 8.840 -0.010 25800 7037 1 15 . 1 1 11 11 TYR N N 11 123.400 123.400 126.953 -3.553 25800 7038 1 15 . 1 1 11 11 TYR HA H 11 4.930 4.930 5.231 -0.301 25800 7039 1 15 . 1 1 11 11 TYR C C 11 173.000 173.000 173.295 -0.295 25800 7040 1 15 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.921 0.079 25800 7041 1 15 . 1 1 11 11 TYR CB C 11 40.900 40.900 42.443 -1.543 25800 7042 1 15 . 1 1 11 11 TYR H H 11 8.690 8.690 7.985 0.705 25800 7043 1 15 . 1 1 12 12 VAL N N 12 126.300 126.300 126.227 0.073 25800 7044 1 15 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.760 -0.200 25800 7045 1 15 . 1 1 12 12 VAL C C 12 174.100 174.100 173.121 0.979 25800 7046 1 15 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.055 0.145 25800 7047 1 15 . 1 1 12 12 VAL CB C 12 33.400 33.400 35.953 -2.553 25800 7048 1 15 . 1 1 12 12 VAL H H 12 8.370 8.370 7.885 0.485 25800 7049 1 15 . 1 1 13 13 GLY N N 13 113.000 113.000 113.879 -0.879 25800 7050 1 15 . 1 1 13 13 GLY C C 13 173.100 173.100 173.036 0.064 25800 7051 1 15 . 1 1 13 13 GLY CA C 13 43.300 43.300 43.662 -0.362 25800 7052 1 15 . 1 1 13 13 GLY H H 13 9.350 9.350 9.088 0.262 25800 7053 1 15 . 1 1 14 14 ASN N N 14 113.900 113.900 116.964 -3.064 25800 7054 1 15 . 1 1 14 14 ASN HA H 14 4.280 4.280 4.045 0.235 25800 7055 1 15 . 1 1 14 14 ASN C C 14 175.800 175.800 175.118 0.682 25800 7056 1 15 . 1 1 14 14 ASN CA C 14 53.600 53.600 54.175 -0.575 25800 7057 1 15 . 1 1 14 14 ASN CB C 14 37.700 37.700 36.910 0.790 25800 7058 1 15 . 1 1 14 14 ASN H H 14 8.800 8.800 7.913 0.887 25800 7059 1 15 . 1 1 15 15 LEU N N 15 115.800 115.800 117.298 -1.498 25800 7060 1 15 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.400 0.590 25800 7061 1 15 . 1 1 15 15 LEU CA C 15 55.600 55.600 54.315 1.286 25800 7062 1 15 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.084 0.516 25800 7063 1 15 . 1 1 15 15 LEU H H 15 7.150 7.150 7.345 -0.195 25800 7064 1 15 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.506 -0.436 25800 7065 1 15 . 1 1 16 16 PRO C C 16 171.500 171.500 177.048 -5.548 25800 7066 1 15 . 1 1 16 16 PRO CA C 16 62.500 62.500 62.965 -0.465 25800 7067 1 15 . 1 1 16 16 PRO CB C 16 32.000 32.000 31.952 0.048 25800 7068 1 15 . 1 1 17 17 SER N N 17 115.200 115.200 116.573 -1.373 25800 7069 1 15 . 1 1 17 17 SER HA H 17 4.300 4.300 4.104 0.196 25800 7070 1 15 . 1 1 17 17 SER C C 17 174.200 174.200 173.886 0.314 25800 7071 1 15 . 1 1 17 17 SER CA C 17 58.200 58.200 59.508 -1.308 25800 7072 1 15 . 1 1 17 17 SER CB C 17 63.900 63.900 63.191 0.710 25800 7073 1 15 . 1 1 17 17 SER H H 17 8.470 8.470 8.454 0.016 25800 7074 1 15 . 1 1 18 18 HIS N N 18 120.800 120.800 120.918 -0.118 25800 7075 1 15 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.789 -0.239 25800 7076 1 15 . 1 1 18 18 HIS C C 18 175.100 175.100 173.582 1.518 25800 7077 1 15 . 1 1 18 18 HIS CA C 18 55.500 55.500 55.517 -0.017 25800 7078 1 15 . 1 1 18 18 HIS CB C 18 29.300 29.300 30.929 -1.629 25800 7079 1 15 . 1 1 18 18 HIS H H 18 8.540 8.540 8.274 0.266 25800 7080 1 15 . 1 1 19 19 VAL N N 19 115.700 115.700 122.757 -7.057 25800 7081 1 15 . 1 1 19 19 VAL HA H 19 4.260 4.260 4.283 -0.023 25800 7082 1 15 . 1 1 19 19 VAL C C 19 174.000 174.000 175.206 -1.206 25800 7083 1 15 . 1 1 19 19 VAL CA C 19 61.900 61.900 61.920 -0.021 25800 7084 1 15 . 1 1 19 19 VAL CB C 19 32.600 32.600 32.259 0.341 25800 7085 1 15 . 1 1 19 19 VAL H H 19 6.650 6.650 7.895 -1.245 25800 7086 1 15 . 1 1 20 20 SER N N 20 118.800 118.800 122.368 -3.568 25800 7087 1 15 . 1 1 20 20 SER HA H 20 4.710 4.710 4.677 0.033 25800 7088 1 15 . 1 1 20 20 SER C C 20 175.900 175.900 176.039 -0.139 25800 7089 1 15 . 1 1 20 20 SER CA C 20 55.800 55.800 57.875 -2.075 25800 7090 1 15 . 1 1 20 20 SER CB C 20 66.600 66.600 64.629 1.972 25800 7091 1 15 . 1 1 20 20 SER H H 20 8.930 8.930 8.401 0.529 25800 7092 1 15 . 1 1 21 21 SER N N 21 117.100 117.100 121.821 -4.721 25800 7093 1 15 . 1 1 21 21 SER HA H 21 3.880 3.880 4.152 -0.272 25800 7094 1 15 . 1 1 21 21 SER C C 21 176.200 176.200 176.757 -0.557 25800 7095 1 15 . 1 1 21 21 SER CA C 21 62.300 62.300 61.094 1.206 25800 7096 1 15 . 1 1 21 21 SER CB C 21 66.800 66.800 63.269 3.531 25800 7097 1 15 . 1 1 21 21 SER H H 21 9.080 9.080 9.017 0.063 25800 7098 1 15 . 1 1 22 22 ARG N N 22 121.200 121.200 121.829 -0.629 25800 7099 1 15 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.149 -0.159 25800 7100 1 15 . 1 1 22 22 ARG C C 22 177.900 177.900 177.956 -0.056 25800 7101 1 15 . 1 1 22 22 ARG CA C 22 58.700 58.700 59.007 -0.307 25800 7102 1 15 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.753 -0.153 25800 7103 1 15 . 1 1 22 22 ARG H H 22 7.940 7.940 8.545 -0.605 25800 7104 1 15 . 1 1 23 23 ASP N N 23 118.800 118.800 119.634 -0.834 25800 7105 1 15 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.479 -0.089 25800 7106 1 15 . 1 1 23 23 ASP C C 23 179.200 179.200 178.724 0.476 25800 7107 1 15 . 1 1 23 23 ASP CA C 23 57.300 57.300 57.319 -0.019 25800 7108 1 15 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.438 0.562 25800 7109 1 15 . 1 1 23 23 ASP H H 23 7.480 7.480 7.768 -0.288 25800 7110 1 15 . 1 1 24 24 VAL N N 24 119.500 119.500 119.037 0.463 25800 7111 1 15 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.719 -0.349 25800 7112 1 15 . 1 1 24 24 VAL C C 24 177.500 177.500 177.921 -0.421 25800 7113 1 15 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.311 0.590 25800 7114 1 15 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.479 -0.079 25800 7115 1 15 . 1 1 24 24 VAL H H 24 7.450 7.450 7.537 -0.087 25800 7116 1 15 . 1 1 25 25 GLU N N 25 121.400 121.400 121.084 0.316 25800 7117 1 15 . 1 1 25 25 GLU HA H 25 3.570 3.570 4.026 -0.456 25800 7118 1 15 . 1 1 25 25 GLU C C 25 178.400 178.400 178.661 -0.261 25800 7119 1 15 . 1 1 25 25 GLU CA C 25 60.600 60.600 60.132 0.468 25800 7120 1 15 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.441 0.159 25800 7121 1 15 . 1 1 25 25 GLU H H 25 8.580 8.580 8.644 -0.064 25800 7122 1 15 . 1 1 26 26 ASN N N 26 114.800 114.800 117.462 -2.662 25800 7123 1 15 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.508 -0.188 25800 7124 1 15 . 1 1 26 26 ASN C C 26 177.400 177.400 178.018 -0.618 25800 7125 1 15 . 1 1 26 26 ASN CA C 26 55.900 55.900 55.663 0.237 25800 7126 1 15 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.619 -0.719 25800 7127 1 15 . 1 1 26 26 ASN H H 26 8.180 8.180 8.211 -0.031 25800 7128 1 15 . 1 1 27 27 GLU N N 27 118.900 118.900 120.624 -1.724 25800 7129 1 15 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.138 0.002 25800 7130 1 15 . 1 1 27 27 GLU C C 27 176.400 176.400 179.199 -2.799 25800 7131 1 15 . 1 1 27 27 GLU CA C 27 57.400 57.400 58.872 -1.472 25800 7132 1 15 . 1 1 27 27 GLU CB C 27 29.400 29.400 29.448 -0.048 25800 7133 1 15 . 1 1 27 27 GLU H H 27 7.340 7.340 7.785 -0.445 25800 7134 1 15 . 1 1 28 28 PHE N N 28 114.100 114.100 119.190 -5.090 25800 7135 1 15 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.736 -0.186 25800 7136 1 15 . 1 1 28 28 PHE C C 28 176.300 176.300 177.989 -1.689 25800 7137 1 15 . 1 1 28 28 PHE CA C 28 60.000 60.000 60.645 -0.645 25800 7138 1 15 . 1 1 28 28 PHE CB C 28 40.800 40.800 39.231 1.569 25800 7139 1 15 . 1 1 28 28 PHE H H 28 7.660 7.660 8.375 -0.715 25800 7140 1 15 . 1 1 29 29 ARG N N 29 121.700 121.700 119.817 1.883 25800 7141 1 15 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.479 -0.069 25800 7142 1 15 . 1 1 29 29 ARG C C 29 177.100 177.100 178.171 -1.071 25800 7143 1 15 . 1 1 29 29 ARG CA C 29 58.200 58.200 58.052 0.148 25800 7144 1 15 . 1 1 29 29 ARG CB C 29 29.300 29.300 29.152 0.148 25800 7145 1 15 . 1 1 29 29 ARG H H 29 8.120 8.120 8.641 -0.521 25800 7146 1 15 . 1 1 30 30 LYS N N 30 117.200 117.200 119.936 -2.736 25800 7147 1 15 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.180 -0.350 25800 7148 1 15 . 1 1 30 30 LYS C C 30 177.100 177.100 177.334 -0.234 25800 7149 1 15 . 1 1 30 30 LYS CA C 30 57.800 57.800 58.497 -0.697 25800 7150 1 15 . 1 1 30 30 LYS CB C 30 31.100 31.100 31.463 -0.363 25800 7151 1 15 . 1 1 30 30 LYS H H 30 7.630 7.630 8.022 -0.392 25800 7152 1 15 . 1 1 31 31 TYR N N 31 117.100 117.100 117.997 -0.897 25800 7153 1 15 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.661 -0.511 25800 7154 1 15 . 1 1 31 31 TYR C C 31 174.400 174.400 175.514 -1.114 25800 7155 1 15 . 1 1 31 31 TYR CA C 31 59.900 59.900 58.071 1.829 25800 7156 1 15 . 1 1 31 31 TYR CB C 31 37.900 37.900 39.440 -1.540 25800 7157 1 15 . 1 1 31 31 TYR H H 31 7.410 7.410 8.085 -0.675 25800 7158 1 15 . 1 1 32 32 GLY N N 32 104.100 104.100 105.937 -1.837 25800 7159 1 15 . 1 1 32 32 GLY C C 32 177.000 177.000 172.306 4.694 25800 7160 1 15 . 1 1 32 32 GLY CA C 32 44.500 44.500 44.560 -0.060 25800 7161 1 15 . 1 1 32 32 GLY H H 32 7.240 7.240 7.578 -0.338 25800 7162 1 15 . 1 1 33 33 ASN N N 33 115.300 115.300 119.917 -4.617 25800 7163 1 15 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.706 -0.266 25800 7164 1 15 . 1 1 33 33 ASN C C 33 175.500 175.500 174.110 1.390 25800 7165 1 15 . 1 1 33 33 ASN CA C 33 54.300 54.300 53.327 0.973 25800 7166 1 15 . 1 1 33 33 ASN CB C 33 38.400 38.400 38.889 -0.489 25800 7167 1 15 . 1 1 33 33 ASN H H 33 8.460 8.460 8.673 -0.213 25800 7168 1 15 . 1 1 34 34 ILE N N 34 126.700 126.700 125.519 1.181 25800 7169 1 15 . 1 1 34 34 ILE HA H 34 3.790 3.790 3.759 0.031 25800 7170 1 15 . 1 1 34 34 ILE C C 34 175.600 175.600 175.066 0.534 25800 7171 1 15 . 1 1 34 34 ILE CA C 34 61.300 61.300 60.353 0.947 25800 7172 1 15 . 1 1 34 34 ILE CB C 34 40.000 40.000 38.116 1.884 25800 7173 1 15 . 1 1 34 34 ILE H H 34 8.050 8.050 8.216 -0.166 25800 7174 1 15 . 1 1 35 35 LEU N N 35 127.400 127.400 129.017 -1.617 25800 7175 1 15 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.336 -0.176 25800 7176 1 15 . 1 1 35 35 LEU C C 35 177.200 177.200 176.293 0.907 25800 7177 1 15 . 1 1 35 35 LEU CA C 35 55.500 55.500 55.791 -0.291 25800 7178 1 15 . 1 1 35 35 LEU CB C 35 42.700 42.700 42.947 -0.247 25800 7179 1 15 . 1 1 35 35 LEU H H 35 8.780 8.780 8.895 -0.115 25800 7180 1 15 . 1 1 36 36 LYS N N 36 117.000 117.000 117.511 -0.511 25800 7181 1 15 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.521 -0.281 25800 7182 1 15 . 1 1 36 36 LYS C C 36 173.600 173.600 173.868 -0.268 25800 7183 1 15 . 1 1 36 36 LYS CA C 36 55.900 55.900 56.243 -0.343 25800 7184 1 15 . 1 1 36 36 LYS CB C 36 36.600 36.600 35.259 1.341 25800 7185 1 15 . 1 1 36 36 LYS H H 36 7.110 7.110 7.646 -0.536 25800 7186 1 15 . 1 1 37 37 CYS N N 37 125.400 125.400 126.109 -0.709 25800 7187 1 15 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.595 -0.895 25800 7188 1 15 . 1 1 37 37 CYS C C 37 171.600 171.600 172.778 -1.178 25800 7189 1 15 . 1 1 37 37 CYS CA C 37 57.900 57.900 57.225 0.675 25800 7190 1 15 . 1 1 37 37 CYS CB C 37 27.100 27.100 30.014 -2.914 25800 7191 1 15 . 1 1 37 37 CYS H H 37 8.610 8.610 8.656 -0.046 25800 7192 1 15 . 1 1 38 38 ASP N N 38 128.200 128.200 127.004 1.196 25800 7193 1 15 . 1 1 38 38 ASP HA H 38 4.950 4.950 4.953 -0.003 25800 7194 1 15 . 1 1 38 38 ASP C C 38 174.300 174.300 173.644 0.656 25800 7195 1 15 . 1 1 38 38 ASP CA C 38 53.200 53.200 54.060 -0.860 25800 7196 1 15 . 1 1 38 38 ASP CB C 38 44.300 44.300 45.780 -1.480 25800 7197 1 15 . 1 1 38 38 ASP H H 38 8.290 8.290 8.692 -0.402 25800 7198 1 15 . 1 1 39 39 VAL N N 39 123.500 123.500 120.388 3.112 25800 7199 1 15 . 1 1 39 39 VAL HA H 39 4.300 4.300 5.048 -0.748 25800 7200 1 15 . 1 1 39 39 VAL C C 39 175.000 175.000 174.284 0.716 25800 7201 1 15 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.376 1.324 25800 7202 1 15 . 1 1 39 39 VAL CB C 39 33.100 33.100 34.783 -1.683 25800 7203 1 15 . 1 1 39 39 VAL H H 39 8.380 8.380 8.515 -0.135 25800 7204 1 15 . 1 1 40 40 LYS N N 40 129.100 129.100 127.631 1.469 25800 7205 1 15 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.929 -0.610 25800 7206 1 15 . 1 1 40 40 LYS C C 40 173.700 173.700 174.355 -0.655 25800 7207 1 15 . 1 1 40 40 LYS CA C 40 53.900 53.900 54.260 -0.360 25800 7208 1 15 . 1 1 40 40 LYS CB C 40 35.500 35.500 35.822 -0.322 25800 7209 1 15 . 1 1 40 40 LYS H H 40 8.680 8.680 9.144 -0.464 25800 7210 1 15 . 1 1 41 41 LYS N N 41 117.300 117.300 120.797 -3.497 25800 7211 1 15 . 1 1 41 41 LYS HA H 41 4.980 4.980 5.303 -0.323 25800 7212 1 15 . 1 1 41 41 LYS C C 41 177.800 177.800 175.414 2.386 25800 7213 1 15 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.729 -0.129 25800 7214 1 15 . 1 1 41 41 LYS CB C 41 35.000 35.000 35.373 -0.373 25800 7215 1 15 . 1 1 41 41 LYS H H 41 7.900 7.900 8.383 -0.483 25800 7216 1 15 . 1 1 42 42 THR N N 42 113.200 113.200 115.301 -2.101 25800 7217 1 15 . 1 1 42 42 THR HA H 42 4.680 4.680 4.772 -0.092 25800 7218 1 15 . 1 1 42 42 THR C C 42 176.900 176.900 176.454 0.446 25800 7219 1 15 . 1 1 42 42 THR CA C 42 60.200 60.200 60.196 0.004 25800 7220 1 15 . 1 1 42 42 THR CB C 42 71.600 71.600 70.027 1.573 25800 7221 1 15 . 1 1 42 42 THR H H 42 8.730 8.730 8.486 0.244 25800 7222 1 15 . 1 1 43 43 VAL N N 43 120.000 120.000 124.023 -4.023 25800 7223 1 15 . 1 1 43 43 VAL HA H 43 3.920 3.920 4.039 -0.119 25800 7224 1 15 . 1 1 43 43 VAL C C 43 177.000 177.000 176.548 0.452 25800 7225 1 15 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.453 0.247 25800 7226 1 15 . 1 1 43 43 VAL CB C 43 31.800 31.800 31.750 0.050 25800 7227 1 15 . 1 1 43 43 VAL H H 43 8.730 8.730 8.547 0.183 25800 7228 1 15 . 1 1 44 44 SER N N 44 113.400 113.400 115.568 -2.168 25800 7229 1 15 . 1 1 44 44 SER HA H 44 4.360 4.360 4.364 -0.004 25800 7230 1 15 . 1 1 44 44 SER C C 44 174.800 174.800 175.478 -0.678 25800 7231 1 15 . 1 1 44 44 SER CA C 44 58.400 58.400 58.604 -0.204 25800 7232 1 15 . 1 1 44 44 SER CB C 44 63.500 63.500 63.493 0.007 25800 7233 1 15 . 1 1 44 44 SER H H 44 7.760 7.760 7.958 -0.198 25800 7234 1 15 . 1 1 45 45 GLY N N 45 110.200 110.200 108.601 1.599 25800 7235 1 15 . 1 1 45 45 GLY C C 45 173.500 173.500 174.250 -0.750 25800 7236 1 15 . 1 1 45 45 GLY CA C 45 45.300 45.300 44.716 0.584 25800 7237 1 15 . 1 1 45 45 GLY H H 45 7.820 7.820 7.864 -0.044 25800 7238 1 15 . 1 1 46 46 ALA N N 46 123.900 123.900 121.900 2.000 25800 7239 1 15 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.277 0.113 25800 7240 1 15 . 1 1 46 46 ALA C C 46 176.100 176.100 175.361 0.739 25800 7241 1 15 . 1 1 46 46 ALA CA C 46 51.900 51.900 51.730 0.170 25800 7242 1 15 . 1 1 46 46 ALA CB C 46 19.800 19.800 20.135 -0.335 25800 7243 1 15 . 1 1 46 46 ALA H H 46 7.440 7.440 7.849 -0.409 25800 7244 1 15 . 1 1 47 47 ALA N N 47 123.100 123.100 122.390 0.710 25800 7245 1 15 . 1 1 47 47 ALA HA H 47 5.200 5.200 5.132 0.068 25800 7246 1 15 . 1 1 47 47 ALA C C 47 176.100 176.100 175.128 0.972 25800 7247 1 15 . 1 1 47 47 ALA CA C 47 50.900 50.900 50.093 0.807 25800 7248 1 15 . 1 1 47 47 ALA CB C 47 21.900 21.900 22.445 -0.545 25800 7249 1 15 . 1 1 47 47 ALA H H 47 8.350 8.350 7.870 0.480 25800 7250 1 15 . 1 1 48 48 PHE N N 48 118.700 118.700 118.071 0.629 25800 7251 1 15 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.405 -0.375 25800 7252 1 15 . 1 1 48 48 PHE C C 48 171.600 171.600 174.045 -2.445 25800 7253 1 15 . 1 1 48 48 PHE CA C 48 55.700 55.700 56.374 -0.674 25800 7254 1 15 . 1 1 48 48 PHE CB C 48 41.200 41.200 43.252 -2.052 25800 7255 1 15 . 1 1 48 48 PHE H H 48 8.550 8.550 8.951 -0.401 25800 7256 1 15 . 1 1 49 49 ALA N N 49 120.400 120.400 124.414 -4.014 25800 7257 1 15 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.394 -0.064 25800 7258 1 15 . 1 1 49 49 ALA C C 49 175.500 175.500 175.552 -0.052 25800 7259 1 15 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.234 -0.935 25800 7260 1 15 . 1 1 49 49 ALA CB C 49 23.700 23.700 21.917 1.783 25800 7261 1 15 . 1 1 49 49 ALA H H 49 9.240 9.240 9.097 0.143 25800 7262 1 15 . 1 1 50 50 PHE N N 50 115.000 115.000 121.668 -6.668 25800 7263 1 15 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.544 0.056 25800 7264 1 15 . 1 1 50 50 PHE C C 50 176.000 176.000 174.319 1.681 25800 7265 1 15 . 1 1 50 50 PHE CA C 50 56.500 56.500 55.636 0.864 25800 7266 1 15 . 1 1 50 50 PHE CB C 50 42.200 42.200 42.773 -0.573 25800 7267 1 15 . 1 1 50 50 PHE H H 50 7.920 7.920 9.223 -1.303 25800 7268 1 15 . 1 1 51 51 ILE N N 51 123.000 123.000 123.263 -0.263 25800 7269 1 15 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.866 -0.416 25800 7270 1 15 . 1 1 51 51 ILE C C 51 173.700 173.700 174.336 -0.636 25800 7271 1 15 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.609 -0.409 25800 7272 1 15 . 1 1 51 51 ILE CB C 51 40.700 40.700 40.897 -0.196 25800 7273 1 15 . 1 1 51 51 ILE H H 51 8.490 8.490 8.856 -0.366 25800 7274 1 15 . 1 1 52 52 GLU N N 52 126.600 126.600 127.150 -0.550 25800 7275 1 15 . 1 1 52 52 GLU HA H 52 4.770 4.770 5.304 -0.534 25800 7276 1 15 . 1 1 52 52 GLU C C 52 175.300 175.300 174.853 0.447 25800 7277 1 15 . 1 1 52 52 GLU CA C 52 54.700 54.700 54.757 -0.057 25800 7278 1 15 . 1 1 52 52 GLU CB C 52 31.500 31.500 33.377 -1.877 25800 7279 1 15 . 1 1 52 52 GLU H H 52 8.610 8.610 9.130 -0.520 25800 7280 1 15 . 1 1 53 53 PHE N N 53 126.100 126.100 124.013 2.087 25800 7281 1 15 . 1 1 53 53 PHE HA H 53 4.800 4.800 5.000 -0.200 25800 7282 1 15 . 1 1 53 53 PHE C C 53 175.400 175.400 174.726 0.674 25800 7283 1 15 . 1 1 53 53 PHE CA C 53 58.200 58.200 57.435 0.765 25800 7284 1 15 . 1 1 53 53 PHE CB C 53 40.900 40.900 43.500 -2.600 25800 7285 1 15 . 1 1 53 53 PHE H H 53 8.800 8.800 9.339 -0.539 25800 7286 1 15 . 1 1 54 54 GLU N N 54 120.700 120.700 121.716 -1.016 25800 7287 1 15 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.219 -0.289 25800 7288 1 15 . 1 1 54 54 GLU C C 54 175.300 175.300 175.697 -0.397 25800 7289 1 15 . 1 1 54 54 GLU CA C 54 59.100 59.100 57.605 1.495 25800 7290 1 15 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.546 0.254 25800 7291 1 15 . 1 1 54 54 GLU H H 54 8.160 8.160 8.703 -0.543 25800 7292 1 15 . 1 1 55 55 ASP N N 55 117.900 117.900 117.567 0.333 25800 7293 1 15 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.776 0.144 25800 7294 1 15 . 1 1 55 55 ASP C C 55 176.400 176.400 175.021 1.379 25800 7295 1 15 . 1 1 55 55 ASP CA C 55 52.400 52.400 53.481 -1.081 25800 7296 1 15 . 1 1 55 55 ASP CB C 55 44.400 44.400 43.340 1.060 25800 7297 1 15 . 1 1 55 55 ASP H H 55 8.740 8.740 8.093 0.647 25800 7298 1 15 . 1 1 56 56 ALA N N 56 128.900 128.900 127.366 1.534 25800 7299 1 15 . 1 1 56 56 ALA HA H 56 3.830 3.830 2.907 0.923 25800 7300 1 15 . 1 1 56 56 ALA C C 56 179.800 179.800 178.061 1.739 25800 7301 1 15 . 1 1 56 56 ALA CA C 56 55.200 55.200 55.289 -0.089 25800 7302 1 15 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.308 0.591 25800 7303 1 15 . 1 1 56 56 ALA H H 56 8.800 8.800 8.097 0.703 25800 7304 1 15 . 1 1 57 57 ARG N N 57 119.200 119.200 116.401 2.799 25800 7305 1 15 . 1 1 57 57 ARG HA H 57 3.890 3.890 3.967 -0.077 25800 7306 1 15 . 1 1 57 57 ARG C C 57 178.000 178.000 177.082 0.918 25800 7307 1 15 . 1 1 57 57 ARG CA C 57 58.900 58.900 58.323 0.577 25800 7308 1 15 . 1 1 57 57 ARG CB C 57 29.300 29.300 28.845 0.455 25800 7309 1 15 . 1 1 57 57 ARG H H 57 8.950 8.950 8.311 0.639 25800 7310 1 15 . 1 1 58 58 ASP N N 58 120.900 120.900 119.220 1.680 25800 7311 1 15 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.537 -0.447 25800 7312 1 15 . 1 1 58 58 ASP C C 58 176.700 176.700 178.031 -1.331 25800 7313 1 15 . 1 1 58 58 ASP CA C 58 56.500 56.500 56.717 -0.217 25800 7314 1 15 . 1 1 58 58 ASP CB C 58 39.900 39.900 40.523 -0.623 25800 7315 1 15 . 1 1 58 58 ASP H H 58 7.020 7.020 8.131 -1.111 25800 7316 1 15 . 1 1 59 59 ALA N N 59 119.700 119.700 122.105 -2.405 25800 7317 1 15 . 1 1 59 59 ALA HA H 59 3.080 3.080 3.890 -0.810 25800 7318 1 15 . 1 1 59 59 ALA C C 59 178.100 178.100 178.646 -0.546 25800 7319 1 15 . 1 1 59 59 ALA CA C 59 54.300 54.300 54.101 0.199 25800 7320 1 15 . 1 1 59 59 ALA CB C 59 18.400 18.400 17.717 0.683 25800 7321 1 15 . 1 1 59 59 ALA H H 59 6.440 6.440 7.186 -0.746 25800 7322 1 15 . 1 1 60 60 ALA N N 60 117.600 117.600 120.780 -3.180 25800 7323 1 15 . 1 1 60 60 ALA HA H 60 3.830 3.830 4.072 -0.242 25800 7324 1 15 . 1 1 60 60 ALA C C 60 180.900 180.900 178.725 2.175 25800 7325 1 15 . 1 1 60 60 ALA CA C 60 54.900 54.900 55.135 -0.235 25800 7326 1 15 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.330 -0.630 25800 7327 1 15 . 1 1 60 60 ALA H H 60 7.330 7.330 8.160 -0.830 25800 7328 1 15 . 1 1 61 61 ASP N N 61 120.100 120.100 118.442 1.658 25800 7329 1 15 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.436 -0.226 25800 7330 1 15 . 1 1 61 61 ASP C C 61 176.700 176.700 177.267 -0.567 25800 7331 1 15 . 1 1 61 61 ASP CA C 61 57.100 57.100 56.670 0.430 25800 7332 1 15 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.404 -0.304 25800 7333 1 15 . 1 1 61 61 ASP H H 61 7.590 7.590 7.891 -0.301 25800 7334 1 15 . 1 1 62 62 ALA N N 62 122.200 122.200 121.193 1.007 25800 7335 1 15 . 1 1 62 62 ALA HA H 62 2.420 2.420 3.824 -1.404 25800 7336 1 15 . 1 1 62 62 ALA C C 62 179.300 179.300 178.901 0.399 25800 7337 1 15 . 1 1 62 62 ALA CA C 62 54.600 54.600 53.949 0.651 25800 7338 1 15 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.863 0.237 25800 7339 1 15 . 1 1 62 62 ALA H H 62 7.440 7.440 7.137 0.303 25800 7340 1 15 . 1 1 63 63 ILE N N 63 116.700 116.700 119.275 -2.575 25800 7341 1 15 . 1 1 63 63 ILE HA H 63 3.240 3.240 3.775 -0.535 25800 7342 1 15 . 1 1 63 63 ILE C C 63 177.800 177.800 177.831 -0.031 25800 7343 1 15 . 1 1 63 63 ILE CA C 63 65.600 65.600 63.700 1.900 25800 7344 1 15 . 1 1 63 63 ILE CB C 63 38.900 38.900 37.659 1.241 25800 7345 1 15 . 1 1 63 63 ILE H H 63 7.540 7.540 7.894 -0.354 25800 7346 1 15 . 1 1 64 64 LYS N N 64 117.400 117.400 119.465 -2.065 25800 7347 1 15 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.398 -0.498 25800 7348 1 15 . 1 1 64 64 LYS C C 64 178.900 178.900 177.791 1.109 25800 7349 1 15 . 1 1 64 64 LYS CA C 64 58.800 58.800 58.196 0.604 25800 7350 1 15 . 1 1 64 64 LYS CB C 64 32.600 32.600 31.981 0.619 25800 7351 1 15 . 1 1 64 64 LYS H H 64 7.490 7.490 8.413 -0.923 25800 7352 1 15 . 1 1 65 65 GLU N N 65 113.800 113.800 118.869 -5.069 25800 7353 1 15 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.217 -0.057 25800 7354 1 15 . 1 1 65 65 GLU C C 65 178.300 178.300 177.704 0.596 25800 7355 1 15 . 1 1 65 65 GLU CA C 65 58.300 58.300 57.639 0.660 25800 7356 1 15 . 1 1 65 65 GLU CB C 65 30.700 30.700 29.902 0.798 25800 7357 1 15 . 1 1 65 65 GLU H H 65 7.960 7.960 7.833 0.127 25800 7358 1 15 . 1 1 66 66 LYS N N 66 114.700 114.700 118.211 -3.511 25800 7359 1 15 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.328 0.142 25800 7360 1 15 . 1 1 66 66 LYS C C 66 177.500 177.500 177.394 0.106 25800 7361 1 15 . 1 1 66 66 LYS CA C 66 54.400 54.400 56.461 -2.061 25800 7362 1 15 . 1 1 66 66 LYS CB C 66 33.000 33.000 32.332 0.668 25800 7363 1 15 . 1 1 66 66 LYS H H 66 8.050 8.050 7.703 0.347 25800 7364 1 15 . 1 1 67 67 ASP N N 67 118.800 118.800 120.316 -1.516 25800 7365 1 15 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.552 -0.332 25800 7366 1 15 . 1 1 67 67 ASP C C 67 177.700 177.700 176.391 1.309 25800 7367 1 15 . 1 1 67 67 ASP CA C 67 58.400 58.400 55.538 2.862 25800 7368 1 15 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.159 0.241 25800 7369 1 15 . 1 1 67 67 ASP H H 67 7.620 7.620 8.019 -0.399 25800 7370 1 15 . 1 1 68 68 GLY N N 68 115.600 115.600 110.232 5.368 25800 7371 1 15 . 1 1 68 68 GLY C C 68 173.800 173.800 174.526 -0.726 25800 7372 1 15 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.453 1.447 25800 7373 1 15 . 1 1 68 68 GLY H H 68 8.470 8.470 8.633 -0.163 25800 7374 1 15 . 1 1 69 69 CYS N N 69 119.200 119.200 119.992 -0.792 25800 7375 1 15 . 1 1 69 69 CYS HA H 69 4.160 4.160 5.029 -0.869 25800 7376 1 15 . 1 1 69 69 CYS C C 69 172.600 172.600 173.791 -1.191 25800 7377 1 15 . 1 1 69 69 CYS CA C 69 58.000 58.000 58.022 -0.021 25800 7378 1 15 . 1 1 69 69 CYS CB C 69 28.700 28.700 29.107 -0.407 25800 7379 1 15 . 1 1 69 69 CYS H H 69 7.890 7.890 8.117 -0.227 25800 7380 1 15 . 1 1 70 70 ASP N N 70 122.200 122.200 124.510 -2.310 25800 7381 1 15 . 1 1 70 70 ASP HA H 70 4.830 4.830 4.396 0.434 25800 7382 1 15 . 1 1 70 70 ASP C C 70 176.400 176.400 174.054 2.346 25800 7383 1 15 . 1 1 70 70 ASP CA C 70 54.700 54.700 53.456 1.244 25800 7384 1 15 . 1 1 70 70 ASP CB C 70 42.700 42.700 44.073 -1.373 25800 7385 1 15 . 1 1 70 70 ASP H H 70 8.360 8.360 8.710 -0.350 25800 7386 1 15 . 1 1 71 71 PHE N N 71 127.600 127.600 119.661 7.939 25800 7387 1 15 . 1 1 71 71 PHE HA H 71 4.600 4.600 5.229 -0.629 25800 7388 1 15 . 1 1 71 71 PHE C C 71 173.600 173.600 175.111 -1.511 25800 7389 1 15 . 1 1 71 71 PHE CA C 71 56.800 56.800 56.910 -0.111 25800 7390 1 15 . 1 1 71 71 PHE CB C 71 40.700 40.700 40.687 0.013 25800 7391 1 15 . 1 1 71 71 PHE H H 71 9.390 9.390 7.645 1.745 25800 7392 1 15 . 1 1 72 72 GLU N N 72 123.900 123.900 119.128 4.772 25800 7393 1 15 . 1 1 72 72 GLU HA H 72 3.540 3.540 4.173 -0.633 25800 7394 1 15 . 1 1 72 72 GLU C C 72 175.500 175.500 176.508 -1.008 25800 7395 1 15 . 1 1 72 72 GLU CA C 72 56.700 56.700 57.118 -0.418 25800 7396 1 15 . 1 1 72 72 GLU CB C 72 27.300 27.300 28.313 -1.013 25800 7397 1 15 . 1 1 72 72 GLU H H 72 8.940 8.940 9.432 -0.492 25800 7398 1 15 . 1 1 73 73 GLY N N 73 105.200 105.200 104.611 0.589 25800 7399 1 15 . 1 1 73 73 GLY C C 73 174.100 174.100 173.735 0.365 25800 7400 1 15 . 1 1 73 73 GLY CA C 73 45.600 45.600 45.017 0.583 25800 7401 1 15 . 1 1 73 73 GLY H H 73 8.350 8.350 8.252 0.098 25800 7402 1 15 . 1 1 74 74 ASN N N 74 121.000 121.000 118.679 2.321 25800 7403 1 15 . 1 1 74 74 ASN HA H 74 4.760 4.760 5.014 -0.254 25800 7404 1 15 . 1 1 74 74 ASN C C 74 174.000 174.000 173.249 0.751 25800 7405 1 15 . 1 1 74 74 ASN CA C 74 50.900 50.900 52.367 -1.467 25800 7406 1 15 . 1 1 74 74 ASN CB C 74 39.700 39.700 40.932 -1.232 25800 7407 1 15 . 1 1 74 74 ASN H H 74 7.740 7.740 7.795 -0.055 25800 7408 1 15 . 1 1 75 75 LYS N N 75 121.400 121.400 121.234 0.166 25800 7409 1 15 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.597 -0.127 25800 7410 1 15 . 1 1 75 75 LYS C C 75 176.900 176.900 174.394 2.506 25800 7411 1 15 . 1 1 75 75 LYS CA C 75 55.300 55.300 55.999 -0.700 25800 7412 1 15 . 1 1 75 75 LYS CB C 75 31.900 31.900 32.983 -1.083 25800 7413 1 15 . 1 1 75 75 LYS H H 75 8.380 8.380 8.577 -0.197 25800 7414 1 15 . 1 1 76 76 LEU N N 76 127.400 127.400 123.838 3.562 25800 7415 1 15 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.597 -0.167 25800 7416 1 15 . 1 1 76 76 LEU C C 76 177.600 177.600 174.245 3.355 25800 7417 1 15 . 1 1 76 76 LEU CA C 76 55.300 55.300 55.205 0.095 25800 7418 1 15 . 1 1 76 76 LEU CB C 76 43.100 43.100 44.573 -1.473 25800 7419 1 15 . 1 1 76 76 LEU H H 76 8.950 8.950 8.467 0.482 25800 7420 1 15 . 1 1 77 77 ARG N N 77 121.800 121.800 125.124 -3.324 25800 7421 1 15 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.913 -0.013 25800 7422 1 15 . 1 1 77 77 ARG C C 77 174.700 174.700 173.979 0.721 25800 7423 1 15 . 1 1 77 77 ARG CA C 77 54.000 54.000 55.351 -1.351 25800 7424 1 15 . 1 1 77 77 ARG CB C 77 32.300 32.300 32.319 -0.019 25800 7425 1 15 . 1 1 77 77 ARG H H 77 7.530 7.530 8.890 -1.360 25800 7426 1 15 . 1 1 78 78 VAL N N 78 127.000 127.000 125.676 1.324 25800 7427 1 15 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.484 0.796 25800 7428 1 15 . 1 1 78 78 VAL C C 78 174.200 174.200 175.052 -0.852 25800 7429 1 15 . 1 1 78 78 VAL CA C 78 61.200 61.200 61.364 -0.163 25800 7430 1 15 . 1 1 78 78 VAL CB C 78 33.400 33.400 34.190 -0.790 25800 7431 1 15 . 1 1 78 78 VAL H H 78 9.660 9.660 8.693 0.967 25800 7432 1 15 . 1 1 79 79 GLU N N 79 121.900 121.900 127.888 -5.988 25800 7433 1 15 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.645 0.065 25800 7434 1 15 . 1 1 79 79 GLU C C 79 174.600 174.600 173.826 0.774 25800 7435 1 15 . 1 1 79 79 GLU CA C 79 53.900 53.900 55.507 -1.607 25800 7436 1 15 . 1 1 79 79 GLU CB C 79 34.400 34.400 33.482 0.918 25800 7437 1 15 . 1 1 79 79 GLU H H 79 8.980 8.980 8.342 0.638 25800 7438 1 15 . 1 1 80 80 VAL N N 80 121.300 121.300 117.862 3.438 25800 7439 1 15 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.371 -0.001 25800 7440 1 15 . 1 1 80 80 VAL CA C 80 61.000 61.000 58.090 2.910 25800 7441 1 15 . 1 1 80 80 VAL CB C 80 32.100 32.100 33.757 -1.657 25800 7442 1 15 . 1 1 80 80 VAL H H 80 8.410 8.410 8.141 0.269 25800 7443 1 15 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.481 -0.221 25800 7444 1 15 . 1 1 81 81 PRO C C 81 176.100 176.100 177.498 -1.398 25800 7445 1 15 . 1 1 81 81 PRO CA C 81 63.100 63.100 64.775 -1.675 25800 7446 1 15 . 1 1 81 81 PRO CB C 81 32.100 32.100 32.177 -0.077 25800 7447 1 15 . 1 1 82 82 PHE N N 82 122.200 122.200 114.362 7.838 25800 7448 1 15 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.567 -0.277 25800 7449 1 15 . 1 1 82 82 PHE C C 82 175.300 175.300 175.603 -0.303 25800 7450 1 15 . 1 1 82 82 PHE CA C 82 58.100 58.100 55.676 2.424 25800 7451 1 15 . 1 1 82 82 PHE CB C 82 39.400 39.400 37.334 2.066 25800 7452 1 15 . 1 1 82 82 PHE H H 82 8.150 8.150 8.001 0.149 25800 7453 1 15 . 1 1 83 83 ASN N N 83 120.800 120.800 122.373 -1.573 25800 7454 1 15 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.627 -0.187 25800 7455 1 15 . 1 1 83 83 ASN C C 83 174.100 174.100 174.899 -0.799 25800 7456 1 15 . 1 1 83 83 ASN CA C 83 52.700 52.700 52.930 -0.230 25800 7457 1 15 . 1 1 83 83 ASN CB C 83 38.700 38.700 36.639 2.061 25800 7458 1 15 . 1 1 83 83 ASN H H 83 8.110 8.110 7.951 0.159 25800 7459 1 15 . 1 1 84 84 ALA N N 84 123.700 123.700 120.573 3.127 25800 7460 1 15 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.569 -0.489 25800 7461 1 15 . 1 1 84 84 ALA C C 84 177.100 177.100 178.108 -1.008 25800 7462 1 15 . 1 1 84 84 ALA CA C 84 52.400 52.400 52.442 -0.042 25800 7463 1 15 . 1 1 84 84 ALA CB C 84 19.100 19.100 20.106 -1.006 25800 7464 1 15 . 1 1 84 84 ALA H H 84 8.020 8.020 8.361 -0.341 25800 7465 1 15 . 1 1 85 85 ARG N N 85 120.200 120.200 120.443 -0.243 25800 7466 1 15 . 1 1 85 85 ARG HA H 85 4.150 4.150 4.344 -0.194 25800 7467 1 15 . 1 1 85 85 ARG C C 85 175.200 175.200 175.730 -0.530 25800 7468 1 15 . 1 1 85 85 ARG CA C 85 56.000 56.000 56.303 -0.303 25800 7469 1 15 . 1 1 85 85 ARG CB C 85 30.800 30.800 30.297 0.503 25800 7470 1 15 . 1 1 85 85 ARG H H 85 8.040 8.040 8.119 -0.079 25800 7471 1 16 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.837 -0.247 25800 7472 1 16 . 1 1 0 0 HIS C C 0 174.000 174.000 174.323 -0.323 25800 7473 1 16 . 1 1 0 0 HIS CA C 0 55.300 55.300 55.647 -0.347 25800 7474 1 16 . 1 1 0 0 HIS CB C 0 29.300 29.300 30.686 -1.386 25800 7475 1 16 . 1 1 1 1 MET N N 1 122.400 122.400 121.567 0.833 25800 7476 1 16 . 1 1 1 1 MET HA H 1 4.340 4.340 4.696 -0.356 25800 7477 1 16 . 1 1 1 1 MET C C 1 175.600 175.600 175.058 0.542 25800 7478 1 16 . 1 1 1 1 MET CA C 1 55.600 55.600 55.507 0.093 25800 7479 1 16 . 1 1 1 1 MET CB C 1 32.800 32.800 33.727 -0.927 25800 7480 1 16 . 1 1 1 1 MET H H 1 8.310 8.310 8.506 -0.196 25800 7481 1 16 . 1 1 2 2 VAL N N 2 123.200 123.200 121.503 1.697 25800 7482 1 16 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.468 -0.508 25800 7483 1 16 . 1 1 2 2 VAL C C 2 175.600 175.600 174.101 1.499 25800 7484 1 16 . 1 1 2 2 VAL CA C 2 62.300 62.300 61.912 0.388 25800 7485 1 16 . 1 1 2 2 VAL CB C 2 32.300 32.300 33.463 -1.163 25800 7486 1 16 . 1 1 2 2 VAL H H 2 8.180 8.180 8.265 -0.085 25800 7487 1 16 . 1 1 3 3 ILE N N 3 126.200 126.200 125.535 0.665 25800 7488 1 16 . 1 1 3 3 ILE HA H 3 4.050 4.050 4.552 -0.502 25800 7489 1 16 . 1 1 3 3 ILE C C 3 175.800 175.800 175.578 0.222 25800 7490 1 16 . 1 1 3 3 ILE CA C 3 60.700 60.700 60.277 0.423 25800 7491 1 16 . 1 1 3 3 ILE CB C 3 38.300 38.300 39.849 -1.549 25800 7492 1 16 . 1 1 3 3 ILE H H 3 8.230 8.230 8.310 -0.080 25800 7493 1 16 . 1 1 4 4 ARG N N 4 126.100 126.100 125.148 0.952 25800 7494 1 16 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.100 0.080 25800 7495 1 16 . 1 1 4 4 ARG C C 4 175.900 175.900 175.886 0.014 25800 7496 1 16 . 1 1 4 4 ARG CA C 4 56.000 56.000 56.593 -0.593 25800 7497 1 16 . 1 1 4 4 ARG CB C 4 30.700 30.700 28.916 1.784 25800 7498 1 16 . 1 1 4 4 ARG H H 4 8.360 8.360 8.707 -0.347 25800 7499 1 16 . 1 1 5 5 GLU N N 5 122.200 122.200 118.232 3.968 25800 7500 1 16 . 1 1 5 5 GLU HA H 5 4.140 4.140 4.087 0.053 25800 7501 1 16 . 1 1 5 5 GLU C C 5 176.100 176.100 174.523 1.577 25800 7502 1 16 . 1 1 5 5 GLU CA C 5 56.600 56.600 57.096 -0.496 25800 7503 1 16 . 1 1 5 5 GLU CB C 5 30.300 30.300 30.374 -0.074 25800 7504 1 16 . 1 1 5 5 GLU H H 5 8.400 8.400 8.284 0.116 25800 7505 1 16 . 1 1 6 6 SER N N 6 116.200 116.200 115.228 0.972 25800 7506 1 16 . 1 1 6 6 SER HA H 6 4.350 4.350 4.743 -0.393 25800 7507 1 16 . 1 1 6 6 SER C C 6 174.300 174.300 172.676 1.624 25800 7508 1 16 . 1 1 6 6 SER CA C 6 58.200 58.200 57.728 0.472 25800 7509 1 16 . 1 1 6 6 SER CB C 6 63.800 63.800 64.893 -1.093 25800 7510 1 16 . 1 1 6 6 SER H H 6 8.270 8.270 8.184 0.086 25800 7511 1 16 . 1 1 7 7 VAL N N 7 119.800 119.800 120.958 -1.158 25800 7512 1 16 . 1 1 7 7 VAL HA H 7 4.300 4.300 4.337 -0.037 25800 7513 1 16 . 1 1 7 7 VAL C C 7 175.500 175.500 174.434 1.066 25800 7514 1 16 . 1 1 7 7 VAL CA C 7 61.700 61.700 61.956 -0.256 25800 7515 1 16 . 1 1 7 7 VAL CB C 7 32.800 32.800 35.301 -2.501 25800 7516 1 16 . 1 1 7 7 VAL H H 7 7.840 7.840 8.196 -0.356 25800 7517 1 16 . 1 1 8 8 SER N N 8 117.800 117.800 121.070 -3.270 25800 7518 1 16 . 1 1 8 8 SER HA H 8 4.240 4.240 4.702 -0.462 25800 7519 1 16 . 1 1 8 8 SER C C 8 172.500 172.500 173.416 -0.916 25800 7520 1 16 . 1 1 8 8 SER CA C 8 58.500 58.500 58.500 0.000 25800 7521 1 16 . 1 1 8 8 SER CB C 8 63.600 63.600 63.047 0.553 25800 7522 1 16 . 1 1 8 8 SER H H 8 8.530 8.530 8.723 -0.193 25800 7523 1 16 . 1 1 9 9 ARG N N 9 123.000 123.000 125.648 -2.648 25800 7524 1 16 . 1 1 9 9 ARG HA H 9 5.500 5.500 5.352 0.148 25800 7525 1 16 . 1 1 9 9 ARG C C 9 175.000 175.000 174.854 0.146 25800 7526 1 16 . 1 1 9 9 ARG CA C 9 54.300 54.300 54.687 -0.387 25800 7527 1 16 . 1 1 9 9 ARG CB C 9 33.400 33.400 32.740 0.660 25800 7528 1 16 . 1 1 9 9 ARG H H 9 7.350 7.350 8.654 -1.304 25800 7529 1 16 . 1 1 10 10 ILE N N 10 114.000 114.000 122.315 -8.315 25800 7530 1 16 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.197 0.623 25800 7531 1 16 . 1 1 10 10 ILE C C 10 173.000 173.000 174.122 -1.122 25800 7532 1 16 . 1 1 10 10 ILE CA C 10 59.400 59.400 62.011 -2.611 25800 7533 1 16 . 1 1 10 10 ILE CB C 10 40.900 40.900 39.589 1.311 25800 7534 1 16 . 1 1 10 10 ILE H H 10 8.830 8.830 8.898 -0.068 25800 7535 1 16 . 1 1 11 11 TYR N N 11 123.400 123.400 126.573 -3.173 25800 7536 1 16 . 1 1 11 11 TYR HA H 11 4.930 4.930 5.128 -0.198 25800 7537 1 16 . 1 1 11 11 TYR C C 11 173.000 173.000 173.335 -0.335 25800 7538 1 16 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.828 0.172 25800 7539 1 16 . 1 1 11 11 TYR CB C 11 40.900 40.900 42.090 -1.190 25800 7540 1 16 . 1 1 11 11 TYR H H 11 8.690 8.690 8.149 0.541 25800 7541 1 16 . 1 1 12 12 VAL N N 12 126.300 126.300 125.488 0.812 25800 7542 1 16 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.293 0.267 25800 7543 1 16 . 1 1 12 12 VAL C C 12 174.100 174.100 172.833 1.267 25800 7544 1 16 . 1 1 12 12 VAL CA C 12 60.200 60.200 59.958 0.242 25800 7545 1 16 . 1 1 12 12 VAL CB C 12 33.400 33.400 35.980 -2.580 25800 7546 1 16 . 1 1 12 12 VAL H H 12 8.370 8.370 7.350 1.020 25800 7547 1 16 . 1 1 13 13 GLY N N 13 113.000 113.000 112.721 0.279 25800 7548 1 16 . 1 1 13 13 GLY C C 13 173.100 173.100 172.976 0.124 25800 7549 1 16 . 1 1 13 13 GLY CA C 13 43.300 43.300 43.924 -0.624 25800 7550 1 16 . 1 1 13 13 GLY H H 13 9.350 9.350 8.729 0.621 25800 7551 1 16 . 1 1 14 14 ASN N N 14 113.900 113.900 116.836 -2.936 25800 7552 1 16 . 1 1 14 14 ASN HA H 14 4.280 4.280 3.993 0.287 25800 7553 1 16 . 1 1 14 14 ASN C C 14 175.800 175.800 175.315 0.485 25800 7554 1 16 . 1 1 14 14 ASN CA C 14 53.600 53.600 54.113 -0.513 25800 7555 1 16 . 1 1 14 14 ASN CB C 14 37.700 37.700 36.899 0.801 25800 7556 1 16 . 1 1 14 14 ASN H H 14 8.800 8.800 7.867 0.933 25800 7557 1 16 . 1 1 15 15 LEU N N 15 115.800 115.800 118.362 -2.562 25800 7558 1 16 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.367 0.623 25800 7559 1 16 . 1 1 15 15 LEU CA C 15 55.600 55.600 54.551 1.049 25800 7560 1 16 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.264 0.336 25800 7561 1 16 . 1 1 15 15 LEU H H 15 7.150 7.150 7.139 0.011 25800 7562 1 16 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.432 -0.362 25800 7563 1 16 . 1 1 16 16 PRO C C 16 171.500 171.500 176.812 -5.312 25800 7564 1 16 . 1 1 16 16 PRO CA C 16 62.500 62.500 63.434 -0.933 25800 7565 1 16 . 1 1 16 16 PRO CB C 16 32.000 32.000 31.415 0.585 25800 7566 1 16 . 1 1 17 17 SER N N 17 115.200 115.200 118.741 -3.541 25800 7567 1 16 . 1 1 17 17 SER HA H 17 4.300 4.300 4.024 0.276 25800 7568 1 16 . 1 1 17 17 SER C C 17 174.200 174.200 173.232 0.968 25800 7569 1 16 . 1 1 17 17 SER CA C 17 58.200 58.200 59.681 -1.481 25800 7570 1 16 . 1 1 17 17 SER CB C 17 63.900 63.900 62.975 0.925 25800 7571 1 16 . 1 1 17 17 SER H H 17 8.470 8.470 8.643 -0.173 25800 7572 1 16 . 1 1 18 18 HIS N N 18 120.800 120.800 119.784 1.016 25800 7573 1 16 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.899 -0.349 25800 7574 1 16 . 1 1 18 18 HIS C C 18 175.100 175.100 173.950 1.150 25800 7575 1 16 . 1 1 18 18 HIS CA C 18 55.500 55.500 55.577 -0.077 25800 7576 1 16 . 1 1 18 18 HIS CB C 18 29.300 29.300 32.136 -2.836 25800 7577 1 16 . 1 1 18 18 HIS H H 18 8.540 8.540 8.362 0.178 25800 7578 1 16 . 1 1 19 19 VAL N N 19 115.700 115.700 121.229 -5.529 25800 7579 1 16 . 1 1 19 19 VAL HA H 19 4.260 4.260 4.319 -0.059 25800 7580 1 16 . 1 1 19 19 VAL C C 19 174.000 174.000 174.455 -0.455 25800 7581 1 16 . 1 1 19 19 VAL CA C 19 61.900 61.900 61.676 0.224 25800 7582 1 16 . 1 1 19 19 VAL CB C 19 32.600 32.600 35.301 -2.701 25800 7583 1 16 . 1 1 19 19 VAL H H 19 6.650 6.650 8.265 -1.615 25800 7584 1 16 . 1 1 20 20 SER N N 20 118.800 118.800 122.181 -3.381 25800 7585 1 16 . 1 1 20 20 SER HA H 20 4.710 4.710 4.943 -0.233 25800 7586 1 16 . 1 1 20 20 SER C C 20 175.900 175.900 176.191 -0.291 25800 7587 1 16 . 1 1 20 20 SER CA C 20 55.800 55.800 57.495 -1.695 25800 7588 1 16 . 1 1 20 20 SER CB C 20 66.600 66.600 64.675 1.925 25800 7589 1 16 . 1 1 20 20 SER H H 20 8.930 8.930 8.544 0.386 25800 7590 1 16 . 1 1 21 21 SER N N 21 117.100 117.100 120.003 -2.903 25800 7591 1 16 . 1 1 21 21 SER HA H 21 3.880 3.880 4.030 -0.150 25800 7592 1 16 . 1 1 21 21 SER C C 21 176.200 176.200 176.558 -0.358 25800 7593 1 16 . 1 1 21 21 SER CA C 21 62.300 62.300 61.551 0.749 25800 7594 1 16 . 1 1 21 21 SER CB C 21 66.800 66.800 62.797 4.003 25800 7595 1 16 . 1 1 21 21 SER H H 21 9.080 9.080 8.990 0.090 25800 7596 1 16 . 1 1 22 22 ARG N N 22 121.200 121.200 121.241 -0.041 25800 7597 1 16 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.108 -0.118 25800 7598 1 16 . 1 1 22 22 ARG C C 22 177.900 177.900 178.008 -0.108 25800 7599 1 16 . 1 1 22 22 ARG CA C 22 58.700 58.700 59.092 -0.392 25800 7600 1 16 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.780 -0.180 25800 7601 1 16 . 1 1 22 22 ARG H H 22 7.940 7.940 8.643 -0.703 25800 7602 1 16 . 1 1 23 23 ASP N N 23 118.800 118.800 119.431 -0.631 25800 7603 1 16 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.523 -0.133 25800 7604 1 16 . 1 1 23 23 ASP C C 23 179.200 179.200 178.497 0.703 25800 7605 1 16 . 1 1 23 23 ASP CA C 23 57.300 57.300 57.190 0.110 25800 7606 1 16 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.952 0.048 25800 7607 1 16 . 1 1 23 23 ASP H H 23 7.480 7.480 7.752 -0.272 25800 7608 1 16 . 1 1 24 24 VAL N N 24 119.500 119.500 117.700 1.800 25800 7609 1 16 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.958 -0.588 25800 7610 1 16 . 1 1 24 24 VAL C C 24 177.500 177.500 177.734 -0.234 25800 7611 1 16 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.212 0.688 25800 7612 1 16 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.482 -0.082 25800 7613 1 16 . 1 1 24 24 VAL H H 24 7.450 7.450 7.878 -0.428 25800 7614 1 16 . 1 1 25 25 GLU N N 25 121.400 121.400 120.890 0.510 25800 7615 1 16 . 1 1 25 25 GLU HA H 25 3.570 3.570 3.903 -0.333 25800 7616 1 16 . 1 1 25 25 GLU C C 25 178.400 178.400 178.466 -0.066 25800 7617 1 16 . 1 1 25 25 GLU CA C 25 60.600 60.600 60.189 0.411 25800 7618 1 16 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.496 0.104 25800 7619 1 16 . 1 1 25 25 GLU H H 25 8.580 8.580 8.632 -0.052 25800 7620 1 16 . 1 1 26 26 ASN N N 26 114.800 114.800 117.027 -2.227 25800 7621 1 16 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.502 -0.182 25800 7622 1 16 . 1 1 26 26 ASN C C 26 177.400 177.400 177.502 -0.102 25800 7623 1 16 . 1 1 26 26 ASN CA C 26 55.900 55.900 55.793 0.107 25800 7624 1 16 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.766 -0.866 25800 7625 1 16 . 1 1 26 26 ASN H H 26 8.180 8.180 7.773 0.407 25800 7626 1 16 . 1 1 27 27 GLU N N 27 118.900 118.900 119.920 -1.020 25800 7627 1 16 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.142 -0.002 25800 7628 1 16 . 1 1 27 27 GLU C C 27 176.400 176.400 179.166 -2.766 25800 7629 1 16 . 1 1 27 27 GLU CA C 27 57.400 57.400 58.756 -1.356 25800 7630 1 16 . 1 1 27 27 GLU CB C 27 29.400 29.400 29.852 -0.452 25800 7631 1 16 . 1 1 27 27 GLU H H 27 7.340 7.340 8.210 -0.870 25800 7632 1 16 . 1 1 28 28 PHE N N 28 114.100 114.100 118.043 -3.943 25800 7633 1 16 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.799 -0.249 25800 7634 1 16 . 1 1 28 28 PHE C C 28 176.300 176.300 178.059 -1.759 25800 7635 1 16 . 1 1 28 28 PHE CA C 28 60.000 60.000 60.692 -0.692 25800 7636 1 16 . 1 1 28 28 PHE CB C 28 40.800 40.800 39.389 1.411 25800 7637 1 16 . 1 1 28 28 PHE H H 28 7.660 7.660 8.325 -0.665 25800 7638 1 16 . 1 1 29 29 ARG N N 29 121.700 121.700 119.422 2.278 25800 7639 1 16 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.386 0.024 25800 7640 1 16 . 1 1 29 29 ARG C C 29 177.100 177.100 177.374 -0.274 25800 7641 1 16 . 1 1 29 29 ARG CA C 29 58.200 58.200 58.722 -0.522 25800 7642 1 16 . 1 1 29 29 ARG CB C 29 29.300 29.300 29.536 -0.236 25800 7643 1 16 . 1 1 29 29 ARG H H 29 8.120 8.120 7.781 0.339 25800 7644 1 16 . 1 1 30 30 LYS N N 30 117.200 117.200 118.667 -1.467 25800 7645 1 16 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.131 -0.301 25800 7646 1 16 . 1 1 30 30 LYS C C 30 177.100 177.100 178.225 -1.125 25800 7647 1 16 . 1 1 30 30 LYS CA C 30 57.800 57.800 57.828 -0.028 25800 7648 1 16 . 1 1 30 30 LYS CB C 30 31.100 31.100 31.928 -0.828 25800 7649 1 16 . 1 1 30 30 LYS H H 30 7.630 7.630 7.962 -0.332 25800 7650 1 16 . 1 1 31 31 TYR N N 31 117.100 117.100 118.418 -1.318 25800 7651 1 16 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.468 -0.318 25800 7652 1 16 . 1 1 31 31 TYR C C 31 174.400 174.400 176.004 -1.604 25800 7653 1 16 . 1 1 31 31 TYR CA C 31 59.900 59.900 59.611 0.289 25800 7654 1 16 . 1 1 31 31 TYR CB C 31 37.900 37.900 39.663 -1.764 25800 7655 1 16 . 1 1 31 31 TYR H H 31 7.410 7.410 7.908 -0.498 25800 7656 1 16 . 1 1 32 32 GLY N N 32 104.100 104.100 105.022 -0.922 25800 7657 1 16 . 1 1 32 32 GLY C C 32 177.000 177.000 172.652 4.348 25800 7658 1 16 . 1 1 32 32 GLY CA C 32 44.500 44.500 45.117 -0.617 25800 7659 1 16 . 1 1 32 32 GLY H H 32 7.240 7.240 7.673 -0.433 25800 7660 1 16 . 1 1 33 33 ASN N N 33 115.300 115.300 119.994 -4.694 25800 7661 1 16 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.719 -0.279 25800 7662 1 16 . 1 1 33 33 ASN C C 33 175.500 175.500 175.168 0.332 25800 7663 1 16 . 1 1 33 33 ASN CA C 33 54.300 54.300 52.804 1.496 25800 7664 1 16 . 1 1 33 33 ASN CB C 33 38.400 38.400 39.139 -0.739 25800 7665 1 16 . 1 1 33 33 ASN H H 33 8.460 8.460 8.585 -0.125 25800 7666 1 16 . 1 1 34 34 ILE N N 34 126.700 126.700 126.035 0.665 25800 7667 1 16 . 1 1 34 34 ILE HA H 34 3.790 3.790 4.160 -0.370 25800 7668 1 16 . 1 1 34 34 ILE C C 34 175.600 175.600 175.467 0.133 25800 7669 1 16 . 1 1 34 34 ILE CA C 34 61.300 61.300 60.612 0.688 25800 7670 1 16 . 1 1 34 34 ILE CB C 34 40.000 40.000 38.468 1.532 25800 7671 1 16 . 1 1 34 34 ILE H H 34 8.050 8.050 8.385 -0.335 25800 7672 1 16 . 1 1 35 35 LEU N N 35 127.400 127.400 129.101 -1.701 25800 7673 1 16 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.360 -0.200 25800 7674 1 16 . 1 1 35 35 LEU C C 35 177.200 177.200 175.997 1.203 25800 7675 1 16 . 1 1 35 35 LEU CA C 35 55.500 55.500 56.434 -0.934 25800 7676 1 16 . 1 1 35 35 LEU CB C 35 42.700 42.700 43.139 -0.438 25800 7677 1 16 . 1 1 35 35 LEU H H 35 8.780 8.780 8.645 0.135 25800 7678 1 16 . 1 1 36 36 LYS N N 36 117.000 117.000 117.678 -0.678 25800 7679 1 16 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.467 -0.227 25800 7680 1 16 . 1 1 36 36 LYS C C 36 173.600 173.600 173.938 -0.338 25800 7681 1 16 . 1 1 36 36 LYS CA C 36 55.900 55.900 56.227 -0.327 25800 7682 1 16 . 1 1 36 36 LYS CB C 36 36.600 36.600 34.843 1.757 25800 7683 1 16 . 1 1 36 36 LYS H H 36 7.110 7.110 7.625 -0.515 25800 7684 1 16 . 1 1 37 37 CYS N N 37 125.400 125.400 121.746 3.654 25800 7685 1 16 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.675 -0.975 25800 7686 1 16 . 1 1 37 37 CYS C C 37 171.600 171.600 173.067 -1.467 25800 7687 1 16 . 1 1 37 37 CYS CA C 37 57.900 57.900 56.885 1.015 25800 7688 1 16 . 1 1 37 37 CYS CB C 37 27.100 27.100 30.832 -3.732 25800 7689 1 16 . 1 1 37 37 CYS H H 37 8.610 8.610 8.675 -0.065 25800 7690 1 16 . 1 1 38 38 ASP N N 38 128.200 128.200 124.616 3.584 25800 7691 1 16 . 1 1 38 38 ASP HA H 38 4.950 4.950 4.936 0.014 25800 7692 1 16 . 1 1 38 38 ASP C C 38 174.300 174.300 173.899 0.401 25800 7693 1 16 . 1 1 38 38 ASP CA C 38 53.200 53.200 53.903 -0.703 25800 7694 1 16 . 1 1 38 38 ASP CB C 38 44.300 44.300 45.312 -1.012 25800 7695 1 16 . 1 1 38 38 ASP H H 38 8.290 8.290 8.847 -0.557 25800 7696 1 16 . 1 1 39 39 VAL N N 39 123.500 123.500 120.144 3.356 25800 7697 1 16 . 1 1 39 39 VAL HA H 39 4.300 4.300 4.865 -0.565 25800 7698 1 16 . 1 1 39 39 VAL C C 39 175.000 175.000 175.161 -0.161 25800 7699 1 16 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.365 0.335 25800 7700 1 16 . 1 1 39 39 VAL CB C 39 33.100 33.100 33.898 -0.798 25800 7701 1 16 . 1 1 39 39 VAL H H 39 8.380 8.380 8.595 -0.215 25800 7702 1 16 . 1 1 40 40 LYS N N 40 129.100 129.100 127.073 2.027 25800 7703 1 16 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.876 -0.556 25800 7704 1 16 . 1 1 40 40 LYS C C 40 173.700 173.700 175.002 -1.302 25800 7705 1 16 . 1 1 40 40 LYS CA C 40 53.900 53.900 54.971 -1.071 25800 7706 1 16 . 1 1 40 40 LYS CB C 40 35.500 35.500 34.735 0.765 25800 7707 1 16 . 1 1 40 40 LYS H H 40 8.680 8.680 9.269 -0.589 25800 7708 1 16 . 1 1 41 41 LYS N N 41 117.300 117.300 120.625 -3.325 25800 7709 1 16 . 1 1 41 41 LYS HA H 41 4.980 4.980 5.476 -0.496 25800 7710 1 16 . 1 1 41 41 LYS C C 41 177.800 177.800 175.647 2.153 25800 7711 1 16 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.639 -0.039 25800 7712 1 16 . 1 1 41 41 LYS CB C 41 35.000 35.000 35.204 -0.204 25800 7713 1 16 . 1 1 41 41 LYS H H 41 7.900 7.900 8.333 -0.433 25800 7714 1 16 . 1 1 42 42 THR N N 42 113.200 113.200 115.572 -2.372 25800 7715 1 16 . 1 1 42 42 THR HA H 42 4.680 4.680 4.763 -0.083 25800 7716 1 16 . 1 1 42 42 THR C C 42 176.900 176.900 176.511 0.389 25800 7717 1 16 . 1 1 42 42 THR CA C 42 60.200 60.200 60.439 -0.239 25800 7718 1 16 . 1 1 42 42 THR CB C 42 71.600 71.600 70.017 1.583 25800 7719 1 16 . 1 1 42 42 THR H H 42 8.730 8.730 8.571 0.159 25800 7720 1 16 . 1 1 43 43 VAL N N 43 120.000 120.000 122.533 -2.533 25800 7721 1 16 . 1 1 43 43 VAL HA H 43 3.920 3.920 4.018 -0.098 25800 7722 1 16 . 1 1 43 43 VAL C C 43 177.000 177.000 176.223 0.777 25800 7723 1 16 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.408 0.292 25800 7724 1 16 . 1 1 43 43 VAL CB C 43 31.800 31.800 31.777 0.023 25800 7725 1 16 . 1 1 43 43 VAL H H 43 8.730 8.730 8.600 0.130 25800 7726 1 16 . 1 1 44 44 SER N N 44 113.400 113.400 116.842 -3.442 25800 7727 1 16 . 1 1 44 44 SER HA H 44 4.360 4.360 4.385 -0.025 25800 7728 1 16 . 1 1 44 44 SER C C 44 174.800 174.800 175.250 -0.450 25800 7729 1 16 . 1 1 44 44 SER CA C 44 58.400 58.400 58.538 -0.138 25800 7730 1 16 . 1 1 44 44 SER CB C 44 63.500 63.500 63.450 0.049 25800 7731 1 16 . 1 1 44 44 SER H H 44 7.760 7.760 8.047 -0.287 25800 7732 1 16 . 1 1 45 45 GLY N N 45 110.200 110.200 109.132 1.068 25800 7733 1 16 . 1 1 45 45 GLY C C 45 173.500 173.500 174.109 -0.609 25800 7734 1 16 . 1 1 45 45 GLY CA C 45 45.300 45.300 44.935 0.364 25800 7735 1 16 . 1 1 45 45 GLY H H 45 7.820 7.820 7.768 0.052 25800 7736 1 16 . 1 1 46 46 ALA N N 46 123.900 123.900 122.551 1.349 25800 7737 1 16 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.241 0.149 25800 7738 1 16 . 1 1 46 46 ALA C C 46 176.100 176.100 175.861 0.239 25800 7739 1 16 . 1 1 46 46 ALA CA C 46 51.900 51.900 51.758 0.142 25800 7740 1 16 . 1 1 46 46 ALA CB C 46 19.800 19.800 19.802 -0.002 25800 7741 1 16 . 1 1 46 46 ALA H H 46 7.440 7.440 7.851 -0.411 25800 7742 1 16 . 1 1 47 47 ALA N N 47 123.100 123.100 124.110 -1.010 25800 7743 1 16 . 1 1 47 47 ALA HA H 47 5.200 5.200 5.154 0.046 25800 7744 1 16 . 1 1 47 47 ALA C C 47 176.100 176.100 175.591 0.509 25800 7745 1 16 . 1 1 47 47 ALA CA C 47 50.900 50.900 50.194 0.706 25800 7746 1 16 . 1 1 47 47 ALA CB C 47 21.900 21.900 21.578 0.322 25800 7747 1 16 . 1 1 47 47 ALA H H 47 8.350 8.350 8.022 0.328 25800 7748 1 16 . 1 1 48 48 PHE N N 48 118.700 118.700 118.313 0.387 25800 7749 1 16 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.257 -0.227 25800 7750 1 16 . 1 1 48 48 PHE C C 48 171.600 171.600 174.345 -2.745 25800 7751 1 16 . 1 1 48 48 PHE CA C 48 55.700 55.700 56.662 -0.962 25800 7752 1 16 . 1 1 48 48 PHE CB C 48 41.200 41.200 42.785 -1.585 25800 7753 1 16 . 1 1 48 48 PHE H H 48 8.550 8.550 8.962 -0.412 25800 7754 1 16 . 1 1 49 49 ALA N N 49 120.400 120.400 125.538 -5.138 25800 7755 1 16 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.194 0.136 25800 7756 1 16 . 1 1 49 49 ALA C C 49 175.500 175.500 175.524 -0.024 25800 7757 1 16 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.467 -1.167 25800 7758 1 16 . 1 1 49 49 ALA CB C 49 23.700 23.700 21.309 2.391 25800 7759 1 16 . 1 1 49 49 ALA H H 49 9.240 9.240 8.681 0.559 25800 7760 1 16 . 1 1 50 50 PHE N N 50 115.000 115.000 120.340 -5.340 25800 7761 1 16 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.618 -0.018 25800 7762 1 16 . 1 1 50 50 PHE C C 50 176.000 176.000 174.375 1.625 25800 7763 1 16 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.351 0.149 25800 7764 1 16 . 1 1 50 50 PHE CB C 50 42.200 42.200 43.213 -1.013 25800 7765 1 16 . 1 1 50 50 PHE H H 50 7.920 7.920 8.814 -0.894 25800 7766 1 16 . 1 1 51 51 ILE N N 51 123.000 123.000 122.130 0.870 25800 7767 1 16 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.541 -0.091 25800 7768 1 16 . 1 1 51 51 ILE C C 51 173.700 173.700 173.847 -0.147 25800 7769 1 16 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.606 -0.406 25800 7770 1 16 . 1 1 51 51 ILE CB C 51 40.700 40.700 41.303 -0.603 25800 7771 1 16 . 1 1 51 51 ILE H H 51 8.490 8.490 8.509 -0.019 25800 7772 1 16 . 1 1 52 52 GLU N N 52 126.600 126.600 126.475 0.125 25800 7773 1 16 . 1 1 52 52 GLU HA H 52 4.770 4.770 5.151 -0.381 25800 7774 1 16 . 1 1 52 52 GLU C C 52 175.300 175.300 174.985 0.315 25800 7775 1 16 . 1 1 52 52 GLU CA C 52 54.700 54.700 54.460 0.240 25800 7776 1 16 . 1 1 52 52 GLU CB C 52 31.500 31.500 32.595 -1.095 25800 7777 1 16 . 1 1 52 52 GLU H H 52 8.610 8.610 8.892 -0.282 25800 7778 1 16 . 1 1 53 53 PHE N N 53 126.100 126.100 123.183 2.917 25800 7779 1 16 . 1 1 53 53 PHE HA H 53 4.800 4.800 5.209 -0.409 25800 7780 1 16 . 1 1 53 53 PHE C C 53 175.400 175.400 175.732 -0.332 25800 7781 1 16 . 1 1 53 53 PHE CA C 53 58.200 58.200 56.581 1.619 25800 7782 1 16 . 1 1 53 53 PHE CB C 53 40.900 40.900 43.068 -2.168 25800 7783 1 16 . 1 1 53 53 PHE H H 53 8.800 8.800 8.964 -0.164 25800 7784 1 16 . 1 1 54 54 GLU N N 54 120.700 120.700 119.588 1.112 25800 7785 1 16 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.273 -0.343 25800 7786 1 16 . 1 1 54 54 GLU C C 54 175.300 175.300 176.086 -0.786 25800 7787 1 16 . 1 1 54 54 GLU CA C 54 59.100 59.100 56.925 2.175 25800 7788 1 16 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.256 0.544 25800 7789 1 16 . 1 1 54 54 GLU H H 54 8.160 8.160 8.488 -0.328 25800 7790 1 16 . 1 1 55 55 ASP N N 55 117.900 117.900 119.549 -1.649 25800 7791 1 16 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.824 0.096 25800 7792 1 16 . 1 1 55 55 ASP C C 55 176.400 176.400 175.683 0.717 25800 7793 1 16 . 1 1 55 55 ASP CA C 55 52.400 52.400 53.601 -1.201 25800 7794 1 16 . 1 1 55 55 ASP CB C 55 44.400 44.400 43.199 1.201 25800 7795 1 16 . 1 1 55 55 ASP H H 55 8.740 8.740 7.831 0.909 25800 7796 1 16 . 1 1 56 56 ALA N N 56 128.900 128.900 127.544 1.356 25800 7797 1 16 . 1 1 56 56 ALA HA H 56 3.830 3.830 3.339 0.491 25800 7798 1 16 . 1 1 56 56 ALA C C 56 179.800 179.800 178.377 1.423 25800 7799 1 16 . 1 1 56 56 ALA CA C 56 55.200 55.200 54.443 0.757 25800 7800 1 16 . 1 1 56 56 ALA CB C 56 18.900 18.900 19.025 -0.125 25800 7801 1 16 . 1 1 56 56 ALA H H 56 8.800 8.800 8.465 0.335 25800 7802 1 16 . 1 1 57 57 ARG N N 57 119.200 119.200 116.532 2.668 25800 7803 1 16 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.159 -0.269 25800 7804 1 16 . 1 1 57 57 ARG C C 57 178.000 178.000 176.267 1.733 25800 7805 1 16 . 1 1 57 57 ARG CA C 57 58.900 58.900 57.844 1.056 25800 7806 1 16 . 1 1 57 57 ARG CB C 57 29.300 29.300 28.614 0.686 25800 7807 1 16 . 1 1 57 57 ARG H H 57 8.950 8.950 8.493 0.457 25800 7808 1 16 . 1 1 58 58 ASP N N 58 120.900 120.900 119.729 1.171 25800 7809 1 16 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.576 -0.486 25800 7810 1 16 . 1 1 58 58 ASP C C 58 176.700 176.700 177.669 -0.969 25800 7811 1 16 . 1 1 58 58 ASP CA C 58 56.500 56.500 56.679 -0.179 25800 7812 1 16 . 1 1 58 58 ASP CB C 58 39.900 39.900 41.084 -1.184 25800 7813 1 16 . 1 1 58 58 ASP H H 58 7.020 7.020 7.599 -0.579 25800 7814 1 16 . 1 1 59 59 ALA N N 59 119.700 119.700 122.512 -2.812 25800 7815 1 16 . 1 1 59 59 ALA HA H 59 3.080 3.080 3.756 -0.676 25800 7816 1 16 . 1 1 59 59 ALA C C 59 178.100 178.100 179.394 -1.294 25800 7817 1 16 . 1 1 59 59 ALA CA C 59 54.300 54.300 54.465 -0.165 25800 7818 1 16 . 1 1 59 59 ALA CB C 59 18.400 18.400 17.676 0.724 25800 7819 1 16 . 1 1 59 59 ALA H H 59 6.440 6.440 7.445 -1.005 25800 7820 1 16 . 1 1 60 60 ALA N N 60 117.600 117.600 121.374 -3.774 25800 7821 1 16 . 1 1 60 60 ALA HA H 60 3.830 3.830 4.105 -0.275 25800 7822 1 16 . 1 1 60 60 ALA C C 60 180.900 180.900 178.875 2.025 25800 7823 1 16 . 1 1 60 60 ALA CA C 60 54.900 54.900 55.172 -0.272 25800 7824 1 16 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.356 -0.656 25800 7825 1 16 . 1 1 60 60 ALA H H 60 7.330 7.330 8.323 -0.993 25800 7826 1 16 . 1 1 61 61 ASP N N 61 120.100 120.100 118.238 1.862 25800 7827 1 16 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.495 -0.285 25800 7828 1 16 . 1 1 61 61 ASP C C 61 176.700 176.700 177.506 -0.806 25800 7829 1 16 . 1 1 61 61 ASP CA C 61 57.100 57.100 56.654 0.446 25800 7830 1 16 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.462 -0.362 25800 7831 1 16 . 1 1 61 61 ASP H H 61 7.590 7.590 7.935 -0.345 25800 7832 1 16 . 1 1 62 62 ALA N N 62 122.200 122.200 121.809 0.391 25800 7833 1 16 . 1 1 62 62 ALA HA H 62 2.420 2.420 3.705 -1.285 25800 7834 1 16 . 1 1 62 62 ALA C C 62 179.300 179.300 179.192 0.108 25800 7835 1 16 . 1 1 62 62 ALA CA C 62 54.600 54.600 54.108 0.492 25800 7836 1 16 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.730 0.370 25800 7837 1 16 . 1 1 62 62 ALA H H 62 7.440 7.440 7.546 -0.106 25800 7838 1 16 . 1 1 63 63 ILE N N 63 116.700 116.700 118.573 -1.873 25800 7839 1 16 . 1 1 63 63 ILE HA H 63 3.240 3.240 3.820 -0.580 25800 7840 1 16 . 1 1 63 63 ILE C C 63 177.800 177.800 177.184 0.616 25800 7841 1 16 . 1 1 63 63 ILE CA C 63 65.600 65.600 63.193 2.408 25800 7842 1 16 . 1 1 63 63 ILE CB C 63 38.900 38.900 37.673 1.226 25800 7843 1 16 . 1 1 63 63 ILE H H 63 7.540 7.540 7.467 0.073 25800 7844 1 16 . 1 1 64 64 LYS N N 64 117.400 117.400 118.186 -0.786 25800 7845 1 16 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.098 -0.198 25800 7846 1 16 . 1 1 64 64 LYS C C 64 178.900 178.900 177.690 1.210 25800 7847 1 16 . 1 1 64 64 LYS CA C 64 58.800 58.800 58.353 0.447 25800 7848 1 16 . 1 1 64 64 LYS CB C 64 32.600 32.600 32.159 0.441 25800 7849 1 16 . 1 1 64 64 LYS H H 64 7.490 7.490 8.109 -0.619 25800 7850 1 16 . 1 1 65 65 GLU N N 65 113.800 113.800 120.074 -6.274 25800 7851 1 16 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.242 -0.082 25800 7852 1 16 . 1 1 65 65 GLU C C 65 178.300 178.300 178.036 0.264 25800 7853 1 16 . 1 1 65 65 GLU CA C 65 58.300 58.300 57.904 0.396 25800 7854 1 16 . 1 1 65 65 GLU CB C 65 30.700 30.700 29.689 1.011 25800 7855 1 16 . 1 1 65 65 GLU H H 65 7.960 7.960 7.709 0.251 25800 7856 1 16 . 1 1 66 66 LYS N N 66 114.700 114.700 118.793 -4.093 25800 7857 1 16 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.195 0.275 25800 7858 1 16 . 1 1 66 66 LYS C C 66 177.500 177.500 176.667 0.833 25800 7859 1 16 . 1 1 66 66 LYS CA C 66 54.400 54.400 55.859 -1.459 25800 7860 1 16 . 1 1 66 66 LYS CB C 66 33.000 33.000 31.723 1.277 25800 7861 1 16 . 1 1 66 66 LYS H H 66 8.050 8.050 7.940 0.110 25800 7862 1 16 . 1 1 67 67 ASP N N 67 118.800 118.800 119.462 -0.662 25800 7863 1 16 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.445 -0.225 25800 7864 1 16 . 1 1 67 67 ASP C C 67 177.700 177.700 177.497 0.203 25800 7865 1 16 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.637 3.763 25800 7866 1 16 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.062 0.338 25800 7867 1 16 . 1 1 67 67 ASP H H 67 7.620 7.620 7.314 0.306 25800 7868 1 16 . 1 1 68 68 GLY N N 68 115.600 115.600 108.088 7.512 25800 7869 1 16 . 1 1 68 68 GLY C C 68 173.800 173.800 174.495 -0.695 25800 7870 1 16 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.592 1.308 25800 7871 1 16 . 1 1 68 68 GLY H H 68 8.470 8.470 8.541 -0.071 25800 7872 1 16 . 1 1 69 69 CYS N N 69 119.200 119.200 120.360 -1.160 25800 7873 1 16 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.919 -0.759 25800 7874 1 16 . 1 1 69 69 CYS C C 69 172.600 172.600 174.027 -1.427 25800 7875 1 16 . 1 1 69 69 CYS CA C 69 58.000 58.000 57.718 0.282 25800 7876 1 16 . 1 1 69 69 CYS CB C 69 28.700 28.700 29.412 -0.712 25800 7877 1 16 . 1 1 69 69 CYS H H 69 7.890 7.890 8.237 -0.347 25800 7878 1 16 . 1 1 70 70 ASP N N 70 122.200 122.200 123.763 -1.563 25800 7879 1 16 . 1 1 70 70 ASP HA H 70 4.830 4.830 4.553 0.277 25800 7880 1 16 . 1 1 70 70 ASP C C 70 176.400 176.400 174.439 1.961 25800 7881 1 16 . 1 1 70 70 ASP CA C 70 54.700 54.700 53.533 1.167 25800 7882 1 16 . 1 1 70 70 ASP CB C 70 42.700 42.700 44.254 -1.554 25800 7883 1 16 . 1 1 70 70 ASP H H 70 8.360 8.360 8.602 -0.242 25800 7884 1 16 . 1 1 71 71 PHE N N 71 127.600 127.600 119.834 7.766 25800 7885 1 16 . 1 1 71 71 PHE HA H 71 4.600 4.600 5.197 -0.597 25800 7886 1 16 . 1 1 71 71 PHE C C 71 173.600 173.600 175.156 -1.556 25800 7887 1 16 . 1 1 71 71 PHE CA C 71 56.800 56.800 56.628 0.172 25800 7888 1 16 . 1 1 71 71 PHE CB C 71 40.700 40.700 40.712 -0.013 25800 7889 1 16 . 1 1 71 71 PHE H H 71 9.390 9.390 7.598 1.792 25800 7890 1 16 . 1 1 72 72 GLU N N 72 123.900 123.900 118.882 5.018 25800 7891 1 16 . 1 1 72 72 GLU HA H 72 3.540 3.540 4.159 -0.619 25800 7892 1 16 . 1 1 72 72 GLU C C 72 175.500 175.500 176.006 -0.506 25800 7893 1 16 . 1 1 72 72 GLU CA C 72 56.700 56.700 57.380 -0.680 25800 7894 1 16 . 1 1 72 72 GLU CB C 72 27.300 27.300 28.615 -1.315 25800 7895 1 16 . 1 1 72 72 GLU H H 72 8.940 8.940 9.304 -0.364 25800 7896 1 16 . 1 1 73 73 GLY N N 73 105.200 105.200 103.718 1.482 25800 7897 1 16 . 1 1 73 73 GLY C C 73 174.100 174.100 174.179 -0.079 25800 7898 1 16 . 1 1 73 73 GLY CA C 73 45.600 45.600 44.857 0.743 25800 7899 1 16 . 1 1 73 73 GLY H H 73 8.350 8.350 8.120 0.230 25800 7900 1 16 . 1 1 74 74 ASN N N 74 121.000 121.000 120.471 0.529 25800 7901 1 16 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.886 -0.126 25800 7902 1 16 . 1 1 74 74 ASN C C 74 174.000 174.000 173.591 0.409 25800 7903 1 16 . 1 1 74 74 ASN CA C 74 50.900 50.900 53.004 -2.104 25800 7904 1 16 . 1 1 74 74 ASN CB C 74 39.700 39.700 39.477 0.223 25800 7905 1 16 . 1 1 74 74 ASN H H 74 7.740 7.740 8.041 -0.301 25800 7906 1 16 . 1 1 75 75 LYS N N 75 121.400 121.400 120.970 0.430 25800 7907 1 16 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.585 -0.115 25800 7908 1 16 . 1 1 75 75 LYS C C 75 176.900 176.900 174.529 2.371 25800 7909 1 16 . 1 1 75 75 LYS CA C 75 55.300 55.300 55.743 -0.443 25800 7910 1 16 . 1 1 75 75 LYS CB C 75 31.900 31.900 33.434 -1.534 25800 7911 1 16 . 1 1 75 75 LYS H H 75 8.380 8.380 8.418 -0.038 25800 7912 1 16 . 1 1 76 76 LEU N N 76 127.400 127.400 124.246 3.154 25800 7913 1 16 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.477 -0.047 25800 7914 1 16 . 1 1 76 76 LEU C C 76 177.600 177.600 174.331 3.269 25800 7915 1 16 . 1 1 76 76 LEU CA C 76 55.300 55.300 55.137 0.163 25800 7916 1 16 . 1 1 76 76 LEU CB C 76 43.100 43.100 44.769 -1.669 25800 7917 1 16 . 1 1 76 76 LEU H H 76 8.950 8.950 8.504 0.446 25800 7918 1 16 . 1 1 77 77 ARG N N 77 121.800 121.800 125.680 -3.880 25800 7919 1 16 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.865 0.035 25800 7920 1 16 . 1 1 77 77 ARG C C 77 174.700 174.700 173.905 0.795 25800 7921 1 16 . 1 1 77 77 ARG CA C 77 54.000 54.000 55.692 -1.692 25800 7922 1 16 . 1 1 77 77 ARG CB C 77 32.300 32.300 32.031 0.269 25800 7923 1 16 . 1 1 77 77 ARG H H 77 7.530 7.530 8.888 -1.358 25800 7924 1 16 . 1 1 78 78 VAL N N 78 127.000 127.000 120.779 6.221 25800 7925 1 16 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.562 0.718 25800 7926 1 16 . 1 1 78 78 VAL C C 78 174.200 174.200 174.367 -0.167 25800 7927 1 16 . 1 1 78 78 VAL CA C 78 61.200 61.200 60.420 0.780 25800 7928 1 16 . 1 1 78 78 VAL CB C 78 33.400 33.400 34.485 -1.085 25800 7929 1 16 . 1 1 78 78 VAL H H 78 9.660 9.660 8.561 1.099 25800 7930 1 16 . 1 1 79 79 GLU N N 79 121.900 121.900 124.828 -2.928 25800 7931 1 16 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.553 0.157 25800 7932 1 16 . 1 1 79 79 GLU C C 79 174.600 174.600 173.769 0.831 25800 7933 1 16 . 1 1 79 79 GLU CA C 79 53.900 53.900 55.932 -2.032 25800 7934 1 16 . 1 1 79 79 GLU CB C 79 34.400 34.400 34.299 0.101 25800 7935 1 16 . 1 1 79 79 GLU H H 79 8.980 8.980 8.185 0.795 25800 7936 1 16 . 1 1 80 80 VAL N N 80 121.300 121.300 122.191 -0.891 25800 7937 1 16 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.402 -0.032 25800 7938 1 16 . 1 1 80 80 VAL CA C 80 61.000 61.000 58.034 2.966 25800 7939 1 16 . 1 1 80 80 VAL CB C 80 32.100 32.100 34.809 -2.709 25800 7940 1 16 . 1 1 80 80 VAL H H 80 8.410 8.410 8.261 0.149 25800 7941 1 16 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.499 -0.239 25800 7942 1 16 . 1 1 81 81 PRO C C 81 176.100 176.100 176.576 -0.476 25800 7943 1 16 . 1 1 81 81 PRO CA C 81 63.100 63.100 63.856 -0.756 25800 7944 1 16 . 1 1 81 81 PRO CB C 81 32.100 32.100 32.287 -0.187 25800 7945 1 16 . 1 1 82 82 PHE N N 82 122.200 122.200 117.483 4.717 25800 7946 1 16 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.670 -0.380 25800 7947 1 16 . 1 1 82 82 PHE C C 82 175.300 175.300 174.090 1.210 25800 7948 1 16 . 1 1 82 82 PHE CA C 82 58.100 58.100 57.405 0.695 25800 7949 1 16 . 1 1 82 82 PHE CB C 82 39.400 39.400 39.496 -0.096 25800 7950 1 16 . 1 1 82 82 PHE H H 82 8.150 8.150 7.784 0.366 25800 7951 1 16 . 1 1 83 83 ASN N N 83 120.800 120.800 118.739 2.061 25800 7952 1 16 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.821 -0.381 25800 7953 1 16 . 1 1 83 83 ASN C C 83 174.100 174.100 174.441 -0.341 25800 7954 1 16 . 1 1 83 83 ASN CA C 83 52.700 52.700 52.196 0.504 25800 7955 1 16 . 1 1 83 83 ASN CB C 83 38.700 38.700 40.421 -1.721 25800 7956 1 16 . 1 1 83 83 ASN H H 83 8.110 8.110 8.627 -0.517 25800 7957 1 16 . 1 1 84 84 ALA N N 84 123.700 123.700 123.081 0.619 25800 7958 1 16 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.283 -0.203 25800 7959 1 16 . 1 1 84 84 ALA C C 84 177.100 177.100 177.091 0.009 25800 7960 1 16 . 1 1 84 84 ALA CA C 84 52.400 52.400 52.969 -0.569 25800 7961 1 16 . 1 1 84 84 ALA CB C 84 19.100 19.100 19.491 -0.392 25800 7962 1 16 . 1 1 84 84 ALA H H 84 8.020 8.020 8.489 -0.469 25800 7963 1 16 . 1 1 85 85 ARG N N 85 120.200 120.200 121.569 -1.369 25800 7964 1 16 . 1 1 85 85 ARG HA H 85 4.150 4.150 4.665 -0.515 25800 7965 1 16 . 1 1 85 85 ARG C C 85 175.200 175.200 174.548 0.652 25800 7966 1 16 . 1 1 85 85 ARG CA C 85 56.000 56.000 55.254 0.746 25800 7967 1 16 . 1 1 85 85 ARG CB C 85 30.800 30.800 32.697 -1.897 25800 7968 1 16 . 1 1 85 85 ARG H H 85 8.040 8.040 8.426 -0.386 25800 7969 1 17 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.482 0.108 25800 7970 1 17 . 1 1 0 0 HIS C C 0 174.000 174.000 175.945 -1.945 25800 7971 1 17 . 1 1 0 0 HIS CA C 0 55.300 55.300 56.991 -1.691 25800 7972 1 17 . 1 1 0 0 HIS CB C 0 29.300 29.300 30.250 -0.950 25800 7973 1 17 . 1 1 1 1 MET N N 1 122.400 122.400 120.663 1.737 25800 7974 1 17 . 1 1 1 1 MET HA H 1 4.340 4.340 4.119 0.221 25800 7975 1 17 . 1 1 1 1 MET C C 1 175.600 175.600 175.516 0.084 25800 7976 1 17 . 1 1 1 1 MET CA C 1 55.600 55.600 55.792 -0.192 25800 7977 1 17 . 1 1 1 1 MET CB C 1 32.800 32.800 30.820 1.980 25800 7978 1 17 . 1 1 1 1 MET H H 1 8.310 8.310 8.409 -0.099 25800 7979 1 17 . 1 1 2 2 VAL N N 2 123.200 123.200 117.183 6.017 25800 7980 1 17 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.002 -0.042 25800 7981 1 17 . 1 1 2 2 VAL C C 2 175.600 175.600 175.990 -0.390 25800 7982 1 17 . 1 1 2 2 VAL CA C 2 62.300 62.300 63.108 -0.808 25800 7983 1 17 . 1 1 2 2 VAL CB C 2 32.300 32.300 32.665 -0.365 25800 7984 1 17 . 1 1 2 2 VAL H H 2 8.180 8.180 8.030 0.150 25800 7985 1 17 . 1 1 3 3 ILE N N 3 126.200 126.200 117.647 8.553 25800 7986 1 17 . 1 1 3 3 ILE HA H 3 4.050 4.050 4.670 -0.620 25800 7987 1 17 . 1 1 3 3 ILE C C 3 175.800 175.800 175.892 -0.092 25800 7988 1 17 . 1 1 3 3 ILE CA C 3 60.700 60.700 61.555 -0.855 25800 7989 1 17 . 1 1 3 3 ILE CB C 3 38.300 38.300 38.634 -0.334 25800 7990 1 17 . 1 1 3 3 ILE H H 3 8.230 8.230 8.186 0.044 25800 7991 1 17 . 1 1 4 4 ARG N N 4 126.100 126.100 120.540 5.560 25800 7992 1 17 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.592 -0.412 25800 7993 1 17 . 1 1 4 4 ARG C C 4 175.900 175.900 175.581 0.319 25800 7994 1 17 . 1 1 4 4 ARG CA C 4 56.000 56.000 56.173 -0.173 25800 7995 1 17 . 1 1 4 4 ARG CB C 4 30.700 30.700 30.533 0.167 25800 7996 1 17 . 1 1 4 4 ARG H H 4 8.360 8.360 8.213 0.147 25800 7997 1 17 . 1 1 5 5 GLU N N 5 122.200 122.200 120.402 1.798 25800 7998 1 17 . 1 1 5 5 GLU HA H 5 4.140 4.140 4.461 -0.321 25800 7999 1 17 . 1 1 5 5 GLU C C 5 176.100 176.100 175.398 0.702 25800 8000 1 17 . 1 1 5 5 GLU CA C 5 56.600 56.600 56.109 0.491 25800 8001 1 17 . 1 1 5 5 GLU CB C 5 30.300 30.300 30.598 -0.298 25800 8002 1 17 . 1 1 5 5 GLU H H 5 8.400 8.400 8.131 0.269 25800 8003 1 17 . 1 1 6 6 SER N N 6 116.200 116.200 116.170 0.030 25800 8004 1 17 . 1 1 6 6 SER HA H 6 4.350 4.350 4.383 -0.033 25800 8005 1 17 . 1 1 6 6 SER C C 6 174.300 174.300 174.315 -0.015 25800 8006 1 17 . 1 1 6 6 SER CA C 6 58.200 58.200 58.431 -0.231 25800 8007 1 17 . 1 1 6 6 SER CB C 6 63.800 63.800 63.679 0.121 25800 8008 1 17 . 1 1 6 6 SER H H 6 8.270 8.270 7.877 0.393 25800 8009 1 17 . 1 1 7 7 VAL N N 7 119.800 119.800 125.368 -5.568 25800 8010 1 17 . 1 1 7 7 VAL HA H 7 4.300 4.300 4.268 0.032 25800 8011 1 17 . 1 1 7 7 VAL C C 7 175.500 175.500 175.684 -0.184 25800 8012 1 17 . 1 1 7 7 VAL CA C 7 61.700 61.700 61.903 -0.203 25800 8013 1 17 . 1 1 7 7 VAL CB C 7 32.800 32.800 32.413 0.388 25800 8014 1 17 . 1 1 7 7 VAL H H 7 7.840 7.840 8.321 -0.481 25800 8015 1 17 . 1 1 8 8 SER N N 8 117.800 117.800 123.791 -5.991 25800 8016 1 17 . 1 1 8 8 SER HA H 8 4.240 4.240 4.839 -0.599 25800 8017 1 17 . 1 1 8 8 SER C C 8 172.500 172.500 173.559 -1.059 25800 8018 1 17 . 1 1 8 8 SER CA C 8 58.500 58.500 58.269 0.231 25800 8019 1 17 . 1 1 8 8 SER CB C 8 63.600 63.600 63.580 0.020 25800 8020 1 17 . 1 1 8 8 SER H H 8 8.530 8.530 8.789 -0.259 25800 8021 1 17 . 1 1 9 9 ARG N N 9 123.000 123.000 121.695 1.305 25800 8022 1 17 . 1 1 9 9 ARG HA H 9 5.500 5.500 5.068 0.432 25800 8023 1 17 . 1 1 9 9 ARG C C 9 175.000 175.000 175.037 -0.037 25800 8024 1 17 . 1 1 9 9 ARG CA C 9 54.300 54.300 54.671 -0.371 25800 8025 1 17 . 1 1 9 9 ARG CB C 9 33.400 33.400 32.674 0.726 25800 8026 1 17 . 1 1 9 9 ARG H H 9 7.350 7.350 8.451 -1.101 25800 8027 1 17 . 1 1 10 10 ILE N N 10 114.000 114.000 120.960 -6.960 25800 8028 1 17 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.129 0.691 25800 8029 1 17 . 1 1 10 10 ILE C C 10 173.000 173.000 174.753 -1.753 25800 8030 1 17 . 1 1 10 10 ILE CA C 10 59.400 59.400 62.048 -2.648 25800 8031 1 17 . 1 1 10 10 ILE CB C 10 40.900 40.900 38.952 1.948 25800 8032 1 17 . 1 1 10 10 ILE H H 10 8.830 8.830 8.414 0.416 25800 8033 1 17 . 1 1 11 11 TYR N N 11 123.400 123.400 127.501 -4.101 25800 8034 1 17 . 1 1 11 11 TYR HA H 11 4.930 4.930 4.912 0.018 25800 8035 1 17 . 1 1 11 11 TYR C C 11 173.000 173.000 173.316 -0.316 25800 8036 1 17 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.593 0.407 25800 8037 1 17 . 1 1 11 11 TYR CB C 11 40.900 40.900 41.369 -0.469 25800 8038 1 17 . 1 1 11 11 TYR H H 11 8.690 8.690 8.015 0.675 25800 8039 1 17 . 1 1 12 12 VAL N N 12 126.300 126.300 122.864 3.436 25800 8040 1 17 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.667 -0.107 25800 8041 1 17 . 1 1 12 12 VAL C C 12 174.100 174.100 173.543 0.557 25800 8042 1 17 . 1 1 12 12 VAL CA C 12 60.200 60.200 59.276 0.924 25800 8043 1 17 . 1 1 12 12 VAL CB C 12 33.400 33.400 34.950 -1.550 25800 8044 1 17 . 1 1 12 12 VAL H H 12 8.370 8.370 7.679 0.691 25800 8045 1 17 . 1 1 13 13 GLY N N 13 113.000 113.000 111.018 1.982 25800 8046 1 17 . 1 1 13 13 GLY C C 13 173.100 173.100 172.811 0.289 25800 8047 1 17 . 1 1 13 13 GLY CA C 13 43.300 43.300 44.224 -0.923 25800 8048 1 17 . 1 1 13 13 GLY H H 13 9.350 9.350 8.693 0.657 25800 8049 1 17 . 1 1 14 14 ASN N N 14 113.900 113.900 117.720 -3.820 25800 8050 1 17 . 1 1 14 14 ASN HA H 14 4.280 4.280 4.283 -0.003 25800 8051 1 17 . 1 1 14 14 ASN C C 14 175.800 175.800 175.036 0.764 25800 8052 1 17 . 1 1 14 14 ASN CA C 14 53.600 53.600 54.160 -0.560 25800 8053 1 17 . 1 1 14 14 ASN CB C 14 37.700 37.700 38.030 -0.330 25800 8054 1 17 . 1 1 14 14 ASN H H 14 8.800 8.800 8.647 0.153 25800 8055 1 17 . 1 1 15 15 LEU N N 15 115.800 115.800 119.333 -3.533 25800 8056 1 17 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.444 0.546 25800 8057 1 17 . 1 1 15 15 LEU CA C 15 55.600 55.600 53.714 1.886 25800 8058 1 17 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.908 -0.308 25800 8059 1 17 . 1 1 15 15 LEU H H 15 7.150 7.150 7.720 -0.570 25800 8060 1 17 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.543 -0.473 25800 8061 1 17 . 1 1 16 16 PRO C C 16 171.500 171.500 178.369 -6.869 25800 8062 1 17 . 1 1 16 16 PRO CA C 16 62.500 62.500 63.170 -0.670 25800 8063 1 17 . 1 1 16 16 PRO CB C 16 32.000 32.000 32.288 -0.287 25800 8064 1 17 . 1 1 17 17 SER N N 17 115.200 115.200 118.785 -3.585 25800 8065 1 17 . 1 1 17 17 SER HA H 17 4.300 4.300 4.045 0.255 25800 8066 1 17 . 1 1 17 17 SER C C 17 174.200 174.200 173.954 0.246 25800 8067 1 17 . 1 1 17 17 SER CA C 17 58.200 58.200 59.133 -0.933 25800 8068 1 17 . 1 1 17 17 SER CB C 17 63.900 63.900 63.245 0.656 25800 8069 1 17 . 1 1 17 17 SER H H 17 8.470 8.470 8.787 -0.317 25800 8070 1 17 . 1 1 18 18 HIS N N 18 120.800 120.800 118.291 2.509 25800 8071 1 17 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.238 0.312 25800 8072 1 17 . 1 1 18 18 HIS C C 18 175.100 175.100 173.037 2.063 25800 8073 1 17 . 1 1 18 18 HIS CA C 18 55.500 55.500 57.138 -1.638 25800 8074 1 17 . 1 1 18 18 HIS CB C 18 29.300 29.300 29.836 -0.536 25800 8075 1 17 . 1 1 18 18 HIS H H 18 8.540 8.540 7.823 0.717 25800 8076 1 17 . 1 1 19 19 VAL N N 19 115.700 115.700 118.173 -2.473 25800 8077 1 17 . 1 1 19 19 VAL HA H 19 4.260 4.260 4.215 0.045 25800 8078 1 17 . 1 1 19 19 VAL C C 19 174.000 174.000 175.689 -1.689 25800 8079 1 17 . 1 1 19 19 VAL CA C 19 61.900 61.900 61.281 0.619 25800 8080 1 17 . 1 1 19 19 VAL CB C 19 32.600 32.600 33.045 -0.445 25800 8081 1 17 . 1 1 19 19 VAL H H 19 6.650 6.650 8.168 -1.518 25800 8082 1 17 . 1 1 20 20 SER N N 20 118.800 118.800 121.195 -2.395 25800 8083 1 17 . 1 1 20 20 SER HA H 20 4.710 4.710 4.436 0.274 25800 8084 1 17 . 1 1 20 20 SER C C 20 175.900 175.900 176.011 -0.111 25800 8085 1 17 . 1 1 20 20 SER CA C 20 55.800 55.800 57.521 -1.721 25800 8086 1 17 . 1 1 20 20 SER CB C 20 66.600 66.600 64.742 1.858 25800 8087 1 17 . 1 1 20 20 SER H H 20 8.930 8.930 8.227 0.703 25800 8088 1 17 . 1 1 21 21 SER N N 21 117.100 117.100 117.318 -0.218 25800 8089 1 17 . 1 1 21 21 SER HA H 21 3.880 3.880 4.132 -0.252 25800 8090 1 17 . 1 1 21 21 SER C C 21 176.200 176.200 176.670 -0.470 25800 8091 1 17 . 1 1 21 21 SER CA C 21 62.300 62.300 61.237 1.063 25800 8092 1 17 . 1 1 21 21 SER CB C 21 66.800 66.800 62.680 4.120 25800 8093 1 17 . 1 1 21 21 SER H H 21 9.080 9.080 8.850 0.230 25800 8094 1 17 . 1 1 22 22 ARG N N 22 121.200 121.200 122.210 -1.010 25800 8095 1 17 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.130 -0.140 25800 8096 1 17 . 1 1 22 22 ARG C C 22 177.900 177.900 177.988 -0.088 25800 8097 1 17 . 1 1 22 22 ARG CA C 22 58.700 58.700 59.028 -0.328 25800 8098 1 17 . 1 1 22 22 ARG CB C 22 29.600 29.600 30.058 -0.458 25800 8099 1 17 . 1 1 22 22 ARG H H 22 7.940 7.940 8.353 -0.413 25800 8100 1 17 . 1 1 23 23 ASP N N 23 118.800 118.800 120.009 -1.209 25800 8101 1 17 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.495 -0.105 25800 8102 1 17 . 1 1 23 23 ASP C C 23 179.200 179.200 178.839 0.361 25800 8103 1 17 . 1 1 23 23 ASP CA C 23 57.300 57.300 57.151 0.148 25800 8104 1 17 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.400 0.600 25800 8105 1 17 . 1 1 23 23 ASP H H 23 7.480 7.480 7.991 -0.511 25800 8106 1 17 . 1 1 24 24 VAL N N 24 119.500 119.500 120.499 -0.999 25800 8107 1 17 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.807 -0.437 25800 8108 1 17 . 1 1 24 24 VAL C C 24 177.500 177.500 177.695 -0.195 25800 8109 1 17 . 1 1 24 24 VAL CA C 24 66.900 66.900 67.223 -0.323 25800 8110 1 17 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.768 -0.368 25800 8111 1 17 . 1 1 24 24 VAL H H 24 7.450 7.450 8.526 -1.076 25800 8112 1 17 . 1 1 25 25 GLU N N 25 121.400 121.400 119.423 1.977 25800 8113 1 17 . 1 1 25 25 GLU HA H 25 3.570 3.570 3.966 -0.396 25800 8114 1 17 . 1 1 25 25 GLU C C 25 178.400 178.400 179.010 -0.610 25800 8115 1 17 . 1 1 25 25 GLU CA C 25 60.600 60.600 59.867 0.733 25800 8116 1 17 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.490 0.110 25800 8117 1 17 . 1 1 25 25 GLU H H 25 8.580 8.580 8.117 0.463 25800 8118 1 17 . 1 1 26 26 ASN N N 26 114.800 114.800 117.224 -2.424 25800 8119 1 17 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.480 -0.160 25800 8120 1 17 . 1 1 26 26 ASN C C 26 177.400 177.400 177.625 -0.225 25800 8121 1 17 . 1 1 26 26 ASN CA C 26 55.900 55.900 56.125 -0.225 25800 8122 1 17 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.734 -0.834 25800 8123 1 17 . 1 1 26 26 ASN H H 26 8.180 8.180 8.248 -0.068 25800 8124 1 17 . 1 1 27 27 GLU N N 27 118.900 118.900 119.767 -0.867 25800 8125 1 17 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.167 -0.027 25800 8126 1 17 . 1 1 27 27 GLU C C 27 176.400 176.400 179.036 -2.636 25800 8127 1 17 . 1 1 27 27 GLU CA C 27 57.400 57.400 58.531 -1.131 25800 8128 1 17 . 1 1 27 27 GLU CB C 27 29.400 29.400 29.878 -0.478 25800 8129 1 17 . 1 1 27 27 GLU H H 27 7.340 7.340 8.148 -0.808 25800 8130 1 17 . 1 1 28 28 PHE N N 28 114.100 114.100 118.889 -4.789 25800 8131 1 17 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.349 0.201 25800 8132 1 17 . 1 1 28 28 PHE C C 28 176.300 176.300 177.810 -1.510 25800 8133 1 17 . 1 1 28 28 PHE CA C 28 60.000 60.000 60.950 -0.950 25800 8134 1 17 . 1 1 28 28 PHE CB C 28 40.800 40.800 38.746 2.054 25800 8135 1 17 . 1 1 28 28 PHE H H 28 7.660 7.660 8.393 -0.733 25800 8136 1 17 . 1 1 29 29 ARG N N 29 121.700 121.700 119.162 2.538 25800 8137 1 17 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.347 0.063 25800 8138 1 17 . 1 1 29 29 ARG C C 29 177.100 177.100 177.332 -0.232 25800 8139 1 17 . 1 1 29 29 ARG CA C 29 58.200 58.200 58.867 -0.667 25800 8140 1 17 . 1 1 29 29 ARG CB C 29 29.300 29.300 30.357 -1.056 25800 8141 1 17 . 1 1 29 29 ARG H H 29 8.120 8.120 7.881 0.239 25800 8142 1 17 . 1 1 30 30 LYS N N 30 117.200 117.200 116.636 0.564 25800 8143 1 17 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.200 -0.370 25800 8144 1 17 . 1 1 30 30 LYS C C 30 177.100 177.100 178.448 -1.348 25800 8145 1 17 . 1 1 30 30 LYS CA C 30 57.800 57.800 57.916 -0.117 25800 8146 1 17 . 1 1 30 30 LYS CB C 30 31.100 31.100 32.215 -1.115 25800 8147 1 17 . 1 1 30 30 LYS H H 30 7.630 7.630 7.657 -0.027 25800 8148 1 17 . 1 1 31 31 TYR N N 31 117.100 117.100 119.539 -2.439 25800 8149 1 17 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.378 -0.228 25800 8150 1 17 . 1 1 31 31 TYR C C 31 174.400 174.400 175.991 -1.591 25800 8151 1 17 . 1 1 31 31 TYR CA C 31 59.900 59.900 59.966 -0.066 25800 8152 1 17 . 1 1 31 31 TYR CB C 31 37.900 37.900 39.759 -1.859 25800 8153 1 17 . 1 1 31 31 TYR H H 31 7.410 7.410 7.971 -0.561 25800 8154 1 17 . 1 1 32 32 GLY N N 32 104.100 104.100 103.264 0.836 25800 8155 1 17 . 1 1 32 32 GLY C C 32 177.000 177.000 172.148 4.852 25800 8156 1 17 . 1 1 32 32 GLY CA C 32 44.500 44.500 44.253 0.247 25800 8157 1 17 . 1 1 32 32 GLY H H 32 7.240 7.240 7.684 -0.445 25800 8158 1 17 . 1 1 33 33 ASN N N 33 115.300 115.300 119.924 -4.624 25800 8159 1 17 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.843 -0.403 25800 8160 1 17 . 1 1 33 33 ASN C C 33 175.500 175.500 175.192 0.308 25800 8161 1 17 . 1 1 33 33 ASN CA C 33 54.300 54.300 52.931 1.369 25800 8162 1 17 . 1 1 33 33 ASN CB C 33 38.400 38.400 37.634 0.766 25800 8163 1 17 . 1 1 33 33 ASN H H 33 8.460 8.460 8.443 0.017 25800 8164 1 17 . 1 1 34 34 ILE N N 34 126.700 126.700 125.371 1.329 25800 8165 1 17 . 1 1 34 34 ILE HA H 34 3.790 3.790 4.327 -0.537 25800 8166 1 17 . 1 1 34 34 ILE C C 34 175.600 175.600 175.987 -0.387 25800 8167 1 17 . 1 1 34 34 ILE CA C 34 61.300 61.300 62.222 -0.922 25800 8168 1 17 . 1 1 34 34 ILE CB C 34 40.000 40.000 37.966 2.034 25800 8169 1 17 . 1 1 34 34 ILE H H 34 8.050 8.050 8.235 -0.185 25800 8170 1 17 . 1 1 35 35 LEU N N 35 127.400 127.400 128.880 -1.480 25800 8171 1 17 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.474 -0.314 25800 8172 1 17 . 1 1 35 35 LEU C C 35 177.200 177.200 176.569 0.631 25800 8173 1 17 . 1 1 35 35 LEU CA C 35 55.500 55.500 55.596 -0.096 25800 8174 1 17 . 1 1 35 35 LEU CB C 35 42.700 42.700 43.128 -0.428 25800 8175 1 17 . 1 1 35 35 LEU H H 35 8.780 8.780 8.829 -0.049 25800 8176 1 17 . 1 1 36 36 LYS N N 36 117.000 117.000 118.593 -1.593 25800 8177 1 17 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.599 -0.359 25800 8178 1 17 . 1 1 36 36 LYS C C 36 173.600 173.600 173.984 -0.384 25800 8179 1 17 . 1 1 36 36 LYS CA C 36 55.900 55.900 55.544 0.356 25800 8180 1 17 . 1 1 36 36 LYS CB C 36 36.600 36.600 36.396 0.204 25800 8181 1 17 . 1 1 36 36 LYS H H 36 7.110 7.110 7.627 -0.517 25800 8182 1 17 . 1 1 37 37 CYS N N 37 125.400 125.400 119.532 5.868 25800 8183 1 17 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.563 -0.863 25800 8184 1 17 . 1 1 37 37 CYS C C 37 171.600 171.600 172.801 -1.201 25800 8185 1 17 . 1 1 37 37 CYS CA C 37 57.900 57.900 56.459 1.441 25800 8186 1 17 . 1 1 37 37 CYS CB C 37 27.100 27.100 31.872 -4.772 25800 8187 1 17 . 1 1 37 37 CYS H H 37 8.610 8.610 8.554 0.056 25800 8188 1 17 . 1 1 38 38 ASP N N 38 128.200 128.200 120.405 7.795 25800 8189 1 17 . 1 1 38 38 ASP HA H 38 4.950 4.950 4.971 -0.021 25800 8190 1 17 . 1 1 38 38 ASP C C 38 174.300 174.300 173.869 0.431 25800 8191 1 17 . 1 1 38 38 ASP CA C 38 53.200 53.200 53.919 -0.719 25800 8192 1 17 . 1 1 38 38 ASP CB C 38 44.300 44.300 45.470 -1.170 25800 8193 1 17 . 1 1 38 38 ASP H H 38 8.290 8.290 9.036 -0.746 25800 8194 1 17 . 1 1 39 39 VAL N N 39 123.500 123.500 119.758 3.742 25800 8195 1 17 . 1 1 39 39 VAL HA H 39 4.300 4.300 5.187 -0.887 25800 8196 1 17 . 1 1 39 39 VAL C C 39 175.000 175.000 174.301 0.699 25800 8197 1 17 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.511 1.189 25800 8198 1 17 . 1 1 39 39 VAL CB C 39 33.100 33.100 35.164 -2.064 25800 8199 1 17 . 1 1 39 39 VAL H H 39 8.380 8.380 8.484 -0.104 25800 8200 1 17 . 1 1 40 40 LYS N N 40 129.100 129.100 126.971 2.129 25800 8201 1 17 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.953 -0.633 25800 8202 1 17 . 1 1 40 40 LYS C C 40 173.700 173.700 174.272 -0.572 25800 8203 1 17 . 1 1 40 40 LYS CA C 40 53.900 53.900 54.013 -0.113 25800 8204 1 17 . 1 1 40 40 LYS CB C 40 35.500 35.500 36.769 -1.269 25800 8205 1 17 . 1 1 40 40 LYS H H 40 8.680 8.680 9.372 -0.692 25800 8206 1 17 . 1 1 41 41 LYS N N 41 117.300 117.300 119.363 -2.063 25800 8207 1 17 . 1 1 41 41 LYS HA H 41 4.980 4.980 4.656 0.324 25800 8208 1 17 . 1 1 41 41 LYS C C 41 177.800 177.800 175.421 2.379 25800 8209 1 17 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.418 0.182 25800 8210 1 17 . 1 1 41 41 LYS CB C 41 35.000 35.000 34.948 0.052 25800 8211 1 17 . 1 1 41 41 LYS H H 41 7.900 7.900 8.363 -0.463 25800 8212 1 17 . 1 1 42 42 THR N N 42 113.200 113.200 114.380 -1.180 25800 8213 1 17 . 1 1 42 42 THR HA H 42 4.680 4.680 4.745 -0.065 25800 8214 1 17 . 1 1 42 42 THR C C 42 176.900 176.900 176.648 0.252 25800 8215 1 17 . 1 1 42 42 THR CA C 42 60.200 60.200 60.515 -0.315 25800 8216 1 17 . 1 1 42 42 THR CB C 42 71.600 71.600 70.976 0.624 25800 8217 1 17 . 1 1 42 42 THR H H 42 8.730 8.730 8.437 0.293 25800 8218 1 17 . 1 1 43 43 VAL N N 43 120.000 120.000 123.633 -3.633 25800 8219 1 17 . 1 1 43 43 VAL HA H 43 3.920 3.920 3.975 -0.055 25800 8220 1 17 . 1 1 43 43 VAL C C 43 177.000 177.000 176.770 0.230 25800 8221 1 17 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.618 0.082 25800 8222 1 17 . 1 1 43 43 VAL CB C 43 31.800 31.800 31.582 0.218 25800 8223 1 17 . 1 1 43 43 VAL H H 43 8.730 8.730 8.406 0.324 25800 8224 1 17 . 1 1 44 44 SER N N 44 113.400 113.400 115.456 -2.056 25800 8225 1 17 . 1 1 44 44 SER HA H 44 4.360 4.360 4.345 0.015 25800 8226 1 17 . 1 1 44 44 SER C C 44 174.800 174.800 175.443 -0.643 25800 8227 1 17 . 1 1 44 44 SER CA C 44 58.400 58.400 58.709 -0.309 25800 8228 1 17 . 1 1 44 44 SER CB C 44 63.500 63.500 63.501 -0.001 25800 8229 1 17 . 1 1 44 44 SER H H 44 7.760 7.760 8.069 -0.309 25800 8230 1 17 . 1 1 45 45 GLY N N 45 110.200 110.200 108.457 1.743 25800 8231 1 17 . 1 1 45 45 GLY C C 45 173.500 173.500 173.847 -0.347 25800 8232 1 17 . 1 1 45 45 GLY CA C 45 45.300 45.300 44.695 0.605 25800 8233 1 17 . 1 1 45 45 GLY H H 45 7.820 7.820 7.685 0.135 25800 8234 1 17 . 1 1 46 46 ALA N N 46 123.900 123.900 122.416 1.484 25800 8235 1 17 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.254 0.136 25800 8236 1 17 . 1 1 46 46 ALA C C 46 176.100 176.100 175.594 0.506 25800 8237 1 17 . 1 1 46 46 ALA CA C 46 51.900 51.900 51.968 -0.068 25800 8238 1 17 . 1 1 46 46 ALA CB C 46 19.800 19.800 20.209 -0.409 25800 8239 1 17 . 1 1 46 46 ALA H H 46 7.440 7.440 7.827 -0.387 25800 8240 1 17 . 1 1 47 47 ALA N N 47 123.100 123.100 123.455 -0.355 25800 8241 1 17 . 1 1 47 47 ALA HA H 47 5.200 5.200 4.687 0.513 25800 8242 1 17 . 1 1 47 47 ALA C C 47 176.100 176.100 175.494 0.606 25800 8243 1 17 . 1 1 47 47 ALA CA C 47 50.900 50.900 49.798 1.101 25800 8244 1 17 . 1 1 47 47 ALA CB C 47 21.900 21.900 21.934 -0.034 25800 8245 1 17 . 1 1 47 47 ALA H H 47 8.350 8.350 7.980 0.370 25800 8246 1 17 . 1 1 48 48 PHE N N 48 118.700 118.700 115.333 3.367 25800 8247 1 17 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.232 -0.202 25800 8248 1 17 . 1 1 48 48 PHE C C 48 171.600 171.600 173.475 -1.875 25800 8249 1 17 . 1 1 48 48 PHE CA C 48 55.700 55.700 56.322 -0.622 25800 8250 1 17 . 1 1 48 48 PHE CB C 48 41.200 41.200 42.374 -1.174 25800 8251 1 17 . 1 1 48 48 PHE H H 48 8.550 8.550 8.819 -0.269 25800 8252 1 17 . 1 1 49 49 ALA N N 49 120.400 120.400 122.588 -2.188 25800 8253 1 17 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.435 -0.105 25800 8254 1 17 . 1 1 49 49 ALA C C 49 175.500 175.500 175.068 0.432 25800 8255 1 17 . 1 1 49 49 ALA CA C 49 49.300 49.300 49.840 -0.540 25800 8256 1 17 . 1 1 49 49 ALA CB C 49 23.700 23.700 21.848 1.852 25800 8257 1 17 . 1 1 49 49 ALA H H 49 9.240 9.240 8.841 0.399 25800 8258 1 17 . 1 1 50 50 PHE N N 50 115.000 115.000 118.633 -3.633 25800 8259 1 17 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.342 0.258 25800 8260 1 17 . 1 1 50 50 PHE C C 50 176.000 176.000 174.324 1.676 25800 8261 1 17 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.347 0.152 25800 8262 1 17 . 1 1 50 50 PHE CB C 50 42.200 42.200 43.128 -0.928 25800 8263 1 17 . 1 1 50 50 PHE H H 50 7.920 7.920 9.009 -1.089 25800 8264 1 17 . 1 1 51 51 ILE N N 51 123.000 123.000 121.075 1.925 25800 8265 1 17 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.434 0.016 25800 8266 1 17 . 1 1 51 51 ILE C C 51 173.700 173.700 174.093 -0.393 25800 8267 1 17 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.319 -0.119 25800 8268 1 17 . 1 1 51 51 ILE CB C 51 40.700 40.700 41.555 -0.855 25800 8269 1 17 . 1 1 51 51 ILE H H 51 8.490 8.490 8.244 0.246 25800 8270 1 17 . 1 1 52 52 GLU N N 52 126.600 126.600 125.955 0.645 25800 8271 1 17 . 1 1 52 52 GLU HA H 52 4.770 4.770 4.849 -0.079 25800 8272 1 17 . 1 1 52 52 GLU C C 52 175.300 175.300 174.810 0.490 25800 8273 1 17 . 1 1 52 52 GLU CA C 52 54.700 54.700 54.486 0.214 25800 8274 1 17 . 1 1 52 52 GLU CB C 52 31.500 31.500 32.481 -0.981 25800 8275 1 17 . 1 1 52 52 GLU H H 52 8.610 8.610 8.772 -0.162 25800 8276 1 17 . 1 1 53 53 PHE N N 53 126.100 126.100 123.708 2.392 25800 8277 1 17 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.914 -0.114 25800 8278 1 17 . 1 1 53 53 PHE C C 53 175.400 175.400 176.233 -0.833 25800 8279 1 17 . 1 1 53 53 PHE CA C 53 58.200 58.200 55.779 2.421 25800 8280 1 17 . 1 1 53 53 PHE CB C 53 40.900 40.900 42.231 -1.331 25800 8281 1 17 . 1 1 53 53 PHE H H 53 8.800 8.800 8.194 0.606 25800 8282 1 17 . 1 1 54 54 GLU N N 54 120.700 120.700 119.277 1.423 25800 8283 1 17 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.163 -0.233 25800 8284 1 17 . 1 1 54 54 GLU C C 54 175.300 175.300 176.196 -0.896 25800 8285 1 17 . 1 1 54 54 GLU CA C 54 59.100 59.100 57.630 1.470 25800 8286 1 17 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.168 0.632 25800 8287 1 17 . 1 1 54 54 GLU H H 54 8.160 8.160 8.949 -0.789 25800 8288 1 17 . 1 1 55 55 ASP N N 55 117.900 117.900 119.824 -1.924 25800 8289 1 17 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.817 0.103 25800 8290 1 17 . 1 1 55 55 ASP C C 55 176.400 176.400 175.407 0.993 25800 8291 1 17 . 1 1 55 55 ASP CA C 55 52.400 52.400 53.326 -0.926 25800 8292 1 17 . 1 1 55 55 ASP CB C 55 44.400 44.400 42.199 2.201 25800 8293 1 17 . 1 1 55 55 ASP H H 55 8.740 8.740 8.045 0.695 25800 8294 1 17 . 1 1 56 56 ALA N N 56 128.900 128.900 126.521 2.379 25800 8295 1 17 . 1 1 56 56 ALA HA H 56 3.830 3.830 3.576 0.254 25800 8296 1 17 . 1 1 56 56 ALA C C 56 179.800 179.800 178.740 1.060 25800 8297 1 17 . 1 1 56 56 ALA CA C 56 55.200 55.200 54.956 0.244 25800 8298 1 17 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.902 -0.003 25800 8299 1 17 . 1 1 56 56 ALA H H 56 8.800 8.800 8.578 0.222 25800 8300 1 17 . 1 1 57 57 ARG N N 57 119.200 119.200 116.958 2.242 25800 8301 1 17 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.146 -0.256 25800 8302 1 17 . 1 1 57 57 ARG C C 57 178.000 178.000 177.095 0.905 25800 8303 1 17 . 1 1 57 57 ARG CA C 57 58.900 58.900 58.233 0.667 25800 8304 1 17 . 1 1 57 57 ARG CB C 57 29.300 29.300 28.639 0.661 25800 8305 1 17 . 1 1 57 57 ARG H H 57 8.950 8.950 8.578 0.372 25800 8306 1 17 . 1 1 58 58 ASP N N 58 120.900 120.900 120.448 0.452 25800 8307 1 17 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.515 -0.425 25800 8308 1 17 . 1 1 58 58 ASP C C 58 176.700 176.700 177.389 -0.689 25800 8309 1 17 . 1 1 58 58 ASP CA C 58 56.500 56.500 56.612 -0.112 25800 8310 1 17 . 1 1 58 58 ASP CB C 58 39.900 39.900 40.786 -0.886 25800 8311 1 17 . 1 1 58 58 ASP H H 58 7.020 7.020 7.584 -0.564 25800 8312 1 17 . 1 1 59 59 ALA N N 59 119.700 119.700 121.949 -2.249 25800 8313 1 17 . 1 1 59 59 ALA HA H 59 3.080 3.080 4.496 -1.416 25800 8314 1 17 . 1 1 59 59 ALA C C 59 178.100 178.100 179.573 -1.473 25800 8315 1 17 . 1 1 59 59 ALA CA C 59 54.300 54.300 54.488 -0.188 25800 8316 1 17 . 1 1 59 59 ALA CB C 59 18.400 18.400 18.842 -0.442 25800 8317 1 17 . 1 1 59 59 ALA H H 59 6.440 6.440 7.375 -0.935 25800 8318 1 17 . 1 1 60 60 ALA N N 60 117.600 117.600 121.199 -3.599 25800 8319 1 17 . 1 1 60 60 ALA HA H 60 3.830 3.830 4.124 -0.294 25800 8320 1 17 . 1 1 60 60 ALA C C 60 180.900 180.900 179.059 1.841 25800 8321 1 17 . 1 1 60 60 ALA CA C 60 54.900 54.900 55.570 -0.670 25800 8322 1 17 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.446 -0.746 25800 8323 1 17 . 1 1 60 60 ALA H H 60 7.330 7.330 8.583 -1.253 25800 8324 1 17 . 1 1 61 61 ASP N N 61 120.100 120.100 117.752 2.348 25800 8325 1 17 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.458 -0.248 25800 8326 1 17 . 1 1 61 61 ASP C C 61 176.700 176.700 177.678 -0.978 25800 8327 1 17 . 1 1 61 61 ASP CA C 61 57.100 57.100 56.596 0.504 25800 8328 1 17 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.706 -0.606 25800 8329 1 17 . 1 1 61 61 ASP H H 61 7.590 7.590 8.134 -0.544 25800 8330 1 17 . 1 1 62 62 ALA N N 62 122.200 122.200 121.194 1.006 25800 8331 1 17 . 1 1 62 62 ALA HA H 62 2.420 2.420 4.064 -1.644 25800 8332 1 17 . 1 1 62 62 ALA C C 62 179.300 179.300 178.651 0.649 25800 8333 1 17 . 1 1 62 62 ALA CA C 62 54.600 54.600 53.753 0.847 25800 8334 1 17 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.755 0.345 25800 8335 1 17 . 1 1 62 62 ALA H H 62 7.440 7.440 7.340 0.100 25800 8336 1 17 . 1 1 63 63 ILE N N 63 116.700 116.700 118.883 -2.183 25800 8337 1 17 . 1 1 63 63 ILE HA H 63 3.240 3.240 4.295 -1.055 25800 8338 1 17 . 1 1 63 63 ILE C C 63 177.800 177.800 177.909 -0.109 25800 8339 1 17 . 1 1 63 63 ILE CA C 63 65.600 65.600 62.617 2.983 25800 8340 1 17 . 1 1 63 63 ILE CB C 63 38.900 38.900 38.326 0.574 25800 8341 1 17 . 1 1 63 63 ILE H H 63 7.540 7.540 8.437 -0.897 25800 8342 1 17 . 1 1 64 64 LYS N N 64 117.400 117.400 120.267 -2.867 25800 8343 1 17 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.085 -0.185 25800 8344 1 17 . 1 1 64 64 LYS C C 64 178.900 178.900 178.369 0.531 25800 8345 1 17 . 1 1 64 64 LYS CA C 64 58.800 58.800 59.051 -0.251 25800 8346 1 17 . 1 1 64 64 LYS CB C 64 32.600 32.600 31.487 1.113 25800 8347 1 17 . 1 1 64 64 LYS H H 64 7.490 7.490 8.368 -0.878 25800 8348 1 17 . 1 1 65 65 GLU N N 65 113.800 113.800 118.236 -4.436 25800 8349 1 17 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.244 -0.084 25800 8350 1 17 . 1 1 65 65 GLU C C 65 178.300 178.300 177.549 0.751 25800 8351 1 17 . 1 1 65 65 GLU CA C 65 58.300 58.300 58.241 0.059 25800 8352 1 17 . 1 1 65 65 GLU CB C 65 30.700 30.700 28.684 2.016 25800 8353 1 17 . 1 1 65 65 GLU H H 65 7.960 7.960 8.154 -0.194 25800 8354 1 17 . 1 1 66 66 LYS N N 66 114.700 114.700 117.658 -2.958 25800 8355 1 17 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.573 -0.103 25800 8356 1 17 . 1 1 66 66 LYS C C 66 177.500 177.500 176.352 1.148 25800 8357 1 17 . 1 1 66 66 LYS CA C 66 54.400 54.400 54.950 -0.549 25800 8358 1 17 . 1 1 66 66 LYS CB C 66 33.000 33.000 32.015 0.985 25800 8359 1 17 . 1 1 66 66 LYS H H 66 8.050 8.050 7.665 0.385 25800 8360 1 17 . 1 1 67 67 ASP N N 67 118.800 118.800 120.462 -1.662 25800 8361 1 17 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.491 -0.271 25800 8362 1 17 . 1 1 67 67 ASP C C 67 177.700 177.700 177.677 0.023 25800 8363 1 17 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.291 4.109 25800 8364 1 17 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.241 0.159 25800 8365 1 17 . 1 1 67 67 ASP H H 67 7.620 7.620 7.523 0.097 25800 8366 1 17 . 1 1 68 68 GLY N N 68 115.600 115.600 108.027 7.573 25800 8367 1 17 . 1 1 68 68 GLY C C 68 173.800 173.800 174.743 -0.943 25800 8368 1 17 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.916 0.984 25800 8369 1 17 . 1 1 68 68 GLY H H 68 8.470 8.470 8.589 -0.119 25800 8370 1 17 . 1 1 69 69 CYS N N 69 119.200 119.200 120.635 -1.435 25800 8371 1 17 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.760 -0.600 25800 8372 1 17 . 1 1 69 69 CYS C C 69 172.600 172.600 174.856 -2.256 25800 8373 1 17 . 1 1 69 69 CYS CA C 69 58.000 58.000 57.920 0.080 25800 8374 1 17 . 1 1 69 69 CYS CB C 69 28.700 28.700 29.014 -0.314 25800 8375 1 17 . 1 1 69 69 CYS H H 69 7.890 7.890 8.117 -0.227 25800 8376 1 17 . 1 1 70 70 ASP N N 70 122.200 122.200 126.007 -3.807 25800 8377 1 17 . 1 1 70 70 ASP HA H 70 4.830 4.830 5.006 -0.176 25800 8378 1 17 . 1 1 70 70 ASP C C 70 176.400 176.400 175.255 1.145 25800 8379 1 17 . 1 1 70 70 ASP CA C 70 54.700 54.700 54.206 0.494 25800 8380 1 17 . 1 1 70 70 ASP CB C 70 42.700 42.700 42.529 0.171 25800 8381 1 17 . 1 1 70 70 ASP H H 70 8.360 8.360 8.762 -0.402 25800 8382 1 17 . 1 1 71 71 PHE N N 71 127.600 127.600 119.950 7.650 25800 8383 1 17 . 1 1 71 71 PHE HA H 71 4.600 4.600 5.015 -0.415 25800 8384 1 17 . 1 1 71 71 PHE C C 71 173.600 173.600 174.997 -1.397 25800 8385 1 17 . 1 1 71 71 PHE CA C 71 56.800 56.800 56.639 0.161 25800 8386 1 17 . 1 1 71 71 PHE CB C 71 40.700 40.700 41.550 -0.850 25800 8387 1 17 . 1 1 71 71 PHE H H 71 9.390 9.390 7.868 1.522 25800 8388 1 17 . 1 1 72 72 GLU N N 72 123.900 123.900 120.572 3.328 25800 8389 1 17 . 1 1 72 72 GLU HA H 72 3.540 3.540 4.054 -0.514 25800 8390 1 17 . 1 1 72 72 GLU C C 72 175.500 175.500 176.538 -1.038 25800 8391 1 17 . 1 1 72 72 GLU CA C 72 56.700 56.700 56.305 0.395 25800 8392 1 17 . 1 1 72 72 GLU CB C 72 27.300 27.300 29.298 -1.998 25800 8393 1 17 . 1 1 72 72 GLU H H 72 8.940 8.940 9.111 -0.171 25800 8394 1 17 . 1 1 73 73 GLY N N 73 105.200 105.200 111.610 -6.410 25800 8395 1 17 . 1 1 73 73 GLY C C 73 174.100 174.100 174.263 -0.163 25800 8396 1 17 . 1 1 73 73 GLY CA C 73 45.600 45.600 44.817 0.783 25800 8397 1 17 . 1 1 73 73 GLY H H 73 8.350 8.350 8.523 -0.173 25800 8398 1 17 . 1 1 74 74 ASN N N 74 121.000 121.000 122.820 -1.820 25800 8399 1 17 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.729 0.031 25800 8400 1 17 . 1 1 74 74 ASN C C 74 174.000 174.000 174.042 -0.042 25800 8401 1 17 . 1 1 74 74 ASN CA C 74 50.900 50.900 53.460 -2.560 25800 8402 1 17 . 1 1 74 74 ASN CB C 74 39.700 39.700 39.283 0.417 25800 8403 1 17 . 1 1 74 74 ASN H H 74 7.740 7.740 8.307 -0.567 25800 8404 1 17 . 1 1 75 75 LYS N N 75 121.400 121.400 117.413 3.987 25800 8405 1 17 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.776 -0.306 25800 8406 1 17 . 1 1 75 75 LYS C C 75 176.900 176.900 174.490 2.410 25800 8407 1 17 . 1 1 75 75 LYS CA C 75 55.300 55.300 55.400 -0.100 25800 8408 1 17 . 1 1 75 75 LYS CB C 75 31.900 31.900 33.368 -1.468 25800 8409 1 17 . 1 1 75 75 LYS H H 75 8.380 8.380 8.219 0.161 25800 8410 1 17 . 1 1 76 76 LEU N N 76 127.400 127.400 124.259 3.141 25800 8411 1 17 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.649 -0.219 25800 8412 1 17 . 1 1 76 76 LEU C C 76 177.600 177.600 174.532 3.068 25800 8413 1 17 . 1 1 76 76 LEU CA C 76 55.300 55.300 55.570 -0.270 25800 8414 1 17 . 1 1 76 76 LEU CB C 76 43.100 43.100 46.132 -3.032 25800 8415 1 17 . 1 1 76 76 LEU H H 76 8.950 8.950 8.203 0.747 25800 8416 1 17 . 1 1 77 77 ARG N N 77 121.800 121.800 125.273 -3.473 25800 8417 1 17 . 1 1 77 77 ARG HA H 77 4.900 4.900 5.000 -0.100 25800 8418 1 17 . 1 1 77 77 ARG C C 77 174.700 174.700 173.694 1.006 25800 8419 1 17 . 1 1 77 77 ARG CA C 77 54.000 54.000 55.026 -1.026 25800 8420 1 17 . 1 1 77 77 ARG CB C 77 32.300 32.300 33.127 -0.827 25800 8421 1 17 . 1 1 77 77 ARG H H 77 7.530 7.530 9.015 -1.485 25800 8422 1 17 . 1 1 78 78 VAL N N 78 127.000 127.000 125.100 1.900 25800 8423 1 17 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.528 0.752 25800 8424 1 17 . 1 1 78 78 VAL C C 78 174.200 174.200 174.268 -0.068 25800 8425 1 17 . 1 1 78 78 VAL CA C 78 61.200 61.200 61.451 -0.251 25800 8426 1 17 . 1 1 78 78 VAL CB C 78 33.400 33.400 35.139 -1.739 25800 8427 1 17 . 1 1 78 78 VAL H H 78 9.660 9.660 8.623 1.037 25800 8428 1 17 . 1 1 79 79 GLU N N 79 121.900 121.900 126.383 -4.483 25800 8429 1 17 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.651 0.059 25800 8430 1 17 . 1 1 79 79 GLU C C 79 174.600 174.600 173.919 0.681 25800 8431 1 17 . 1 1 79 79 GLU CA C 79 53.900 53.900 55.628 -1.728 25800 8432 1 17 . 1 1 79 79 GLU CB C 79 34.400 34.400 34.436 -0.036 25800 8433 1 17 . 1 1 79 79 GLU H H 79 8.980 8.980 8.255 0.725 25800 8434 1 17 . 1 1 80 80 VAL N N 80 121.300 121.300 124.193 -2.893 25800 8435 1 17 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.497 -0.127 25800 8436 1 17 . 1 1 80 80 VAL CA C 80 61.000 61.000 58.085 2.915 25800 8437 1 17 . 1 1 80 80 VAL CB C 80 32.100 32.100 34.499 -2.399 25800 8438 1 17 . 1 1 80 80 VAL H H 80 8.410 8.410 8.431 -0.021 25800 8439 1 17 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.396 -0.136 25800 8440 1 17 . 1 1 81 81 PRO C C 81 176.100 176.100 176.959 -0.859 25800 8441 1 17 . 1 1 81 81 PRO CA C 81 63.100 63.100 64.703 -1.603 25800 8442 1 17 . 1 1 81 81 PRO CB C 81 32.100 32.100 31.720 0.380 25800 8443 1 17 . 1 1 82 82 PHE N N 82 122.200 122.200 115.094 7.106 25800 8444 1 17 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.839 -0.549 25800 8445 1 17 . 1 1 82 82 PHE C C 82 175.300 175.300 175.076 0.224 25800 8446 1 17 . 1 1 82 82 PHE CA C 82 58.100 58.100 55.513 2.587 25800 8447 1 17 . 1 1 82 82 PHE CB C 82 39.400 39.400 37.042 2.358 25800 8448 1 17 . 1 1 82 82 PHE H H 82 8.150 8.150 7.895 0.255 25800 8449 1 17 . 1 1 83 83 ASN N N 83 120.800 120.800 118.913 1.887 25800 8450 1 17 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.345 0.095 25800 8451 1 17 . 1 1 83 83 ASN C C 83 174.100 174.100 175.653 -1.553 25800 8452 1 17 . 1 1 83 83 ASN CA C 83 52.700 52.700 54.459 -1.759 25800 8453 1 17 . 1 1 83 83 ASN CB C 83 38.700 38.700 38.459 0.241 25800 8454 1 17 . 1 1 83 83 ASN H H 83 8.110 8.110 7.857 0.253 25800 8455 1 17 . 1 1 84 84 ALA N N 84 123.700 123.700 120.827 2.873 25800 8456 1 17 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.563 -0.483 25800 8457 1 17 . 1 1 84 84 ALA C C 84 177.100 177.100 176.694 0.406 25800 8458 1 17 . 1 1 84 84 ALA CA C 84 52.400 52.400 50.948 1.452 25800 8459 1 17 . 1 1 84 84 ALA CB C 84 19.100 19.100 21.473 -2.373 25800 8460 1 17 . 1 1 84 84 ALA H H 84 8.020 8.020 7.534 0.486 25800 8461 1 17 . 1 1 85 85 ARG N N 85 120.200 120.200 119.766 0.434 25800 8462 1 17 . 1 1 85 85 ARG HA H 85 4.150 4.150 4.202 -0.052 25800 8463 1 17 . 1 1 85 85 ARG C C 85 175.200 175.200 176.273 -1.073 25800 8464 1 17 . 1 1 85 85 ARG CA C 85 56.000 56.000 58.087 -2.087 25800 8465 1 17 . 1 1 85 85 ARG CB C 85 30.800 30.800 30.699 0.101 25800 8466 1 17 . 1 1 85 85 ARG H H 85 8.040 8.040 8.657 -0.617 25800 8467 1 18 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.979 -0.389 25800 8468 1 18 . 1 1 0 0 HIS C C 0 174.000 174.000 175.015 -1.015 25800 8469 1 18 . 1 1 0 0 HIS CA C 0 55.300 55.300 56.280 -0.980 25800 8470 1 18 . 1 1 0 0 HIS CB C 0 29.300 29.300 29.748 -0.449 25800 8471 1 18 . 1 1 1 1 MET N N 1 122.400 122.400 118.855 3.545 25800 8472 1 18 . 1 1 1 1 MET HA H 1 4.340 4.340 4.453 -0.113 25800 8473 1 18 . 1 1 1 1 MET C C 1 175.600 175.600 176.938 -1.338 25800 8474 1 18 . 1 1 1 1 MET CA C 1 55.600 55.600 56.321 -0.721 25800 8475 1 18 . 1 1 1 1 MET CB C 1 32.800 32.800 33.405 -0.605 25800 8476 1 18 . 1 1 1 1 MET H H 1 8.310 8.310 8.309 0.001 25800 8477 1 18 . 1 1 2 2 VAL N N 2 123.200 123.200 117.734 5.466 25800 8478 1 18 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.084 -0.124 25800 8479 1 18 . 1 1 2 2 VAL C C 2 175.600 175.600 176.463 -0.863 25800 8480 1 18 . 1 1 2 2 VAL CA C 2 62.300 62.300 62.501 -0.201 25800 8481 1 18 . 1 1 2 2 VAL CB C 2 32.300 32.300 32.037 0.263 25800 8482 1 18 . 1 1 2 2 VAL H H 2 8.180 8.180 7.821 0.359 25800 8483 1 18 . 1 1 3 3 ILE N N 3 126.200 126.200 117.541 8.659 25800 8484 1 18 . 1 1 3 3 ILE HA H 3 4.050 4.050 3.833 0.216 25800 8485 1 18 . 1 1 3 3 ILE C C 3 175.800 175.800 175.043 0.757 25800 8486 1 18 . 1 1 3 3 ILE CA C 3 60.700 60.700 61.797 -1.097 25800 8487 1 18 . 1 1 3 3 ILE CB C 3 38.300 38.300 36.182 2.118 25800 8488 1 18 . 1 1 3 3 ILE H H 3 8.230 8.230 8.396 -0.166 25800 8489 1 18 . 1 1 4 4 ARG N N 4 126.100 126.100 120.837 5.263 25800 8490 1 18 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.555 -0.375 25800 8491 1 18 . 1 1 4 4 ARG C C 4 175.900 175.900 174.926 0.974 25800 8492 1 18 . 1 1 4 4 ARG CA C 4 56.000 56.000 56.348 -0.348 25800 8493 1 18 . 1 1 4 4 ARG CB C 4 30.700 30.700 31.043 -0.343 25800 8494 1 18 . 1 1 4 4 ARG H H 4 8.360 8.360 8.230 0.130 25800 8495 1 18 . 1 1 5 5 GLU N N 5 122.200 122.200 120.007 2.193 25800 8496 1 18 . 1 1 5 5 GLU HA H 5 4.140 4.140 4.642 -0.502 25800 8497 1 18 . 1 1 5 5 GLU C C 5 176.100 176.100 175.161 0.939 25800 8498 1 18 . 1 1 5 5 GLU CA C 5 56.600 56.600 55.337 1.263 25800 8499 1 18 . 1 1 5 5 GLU CB C 5 30.300 30.300 30.550 -0.250 25800 8500 1 18 . 1 1 5 5 GLU H H 5 8.400 8.400 8.101 0.299 25800 8501 1 18 . 1 1 6 6 SER N N 6 116.200 116.200 115.452 0.748 25800 8502 1 18 . 1 1 6 6 SER HA H 6 4.350 4.350 4.348 0.002 25800 8503 1 18 . 1 1 6 6 SER C C 6 174.300 174.300 173.252 1.048 25800 8504 1 18 . 1 1 6 6 SER CA C 6 58.200 58.200 58.437 -0.237 25800 8505 1 18 . 1 1 6 6 SER CB C 6 63.800 63.800 63.936 -0.136 25800 8506 1 18 . 1 1 6 6 SER H H 6 8.270 8.270 8.482 -0.212 25800 8507 1 18 . 1 1 7 7 VAL N N 7 119.800 119.800 119.802 -0.002 25800 8508 1 18 . 1 1 7 7 VAL HA H 7 4.300 4.300 4.362 -0.062 25800 8509 1 18 . 1 1 7 7 VAL C C 7 175.500 175.500 175.466 0.034 25800 8510 1 18 . 1 1 7 7 VAL CA C 7 61.700 61.700 61.476 0.224 25800 8511 1 18 . 1 1 7 7 VAL CB C 7 32.800 32.800 33.378 -0.578 25800 8512 1 18 . 1 1 7 7 VAL H H 7 7.840 7.840 8.836 -0.996 25800 8513 1 18 . 1 1 8 8 SER N N 8 117.800 117.800 116.546 1.254 25800 8514 1 18 . 1 1 8 8 SER HA H 8 4.240 4.240 4.580 -0.340 25800 8515 1 18 . 1 1 8 8 SER C C 8 172.500 172.500 173.353 -0.853 25800 8516 1 18 . 1 1 8 8 SER CA C 8 58.500 58.500 58.074 0.426 25800 8517 1 18 . 1 1 8 8 SER CB C 8 63.600 63.600 62.342 1.258 25800 8518 1 18 . 1 1 8 8 SER H H 8 8.530 8.530 8.560 -0.030 25800 8519 1 18 . 1 1 9 9 ARG N N 9 123.000 123.000 127.487 -4.487 25800 8520 1 18 . 1 1 9 9 ARG HA H 9 5.500 5.500 5.403 0.097 25800 8521 1 18 . 1 1 9 9 ARG C C 9 175.000 175.000 176.024 -1.024 25800 8522 1 18 . 1 1 9 9 ARG CA C 9 54.300 54.300 54.726 -0.426 25800 8523 1 18 . 1 1 9 9 ARG CB C 9 33.400 33.400 33.912 -0.512 25800 8524 1 18 . 1 1 9 9 ARG H H 9 7.350 7.350 8.356 -1.006 25800 8525 1 18 . 1 1 10 10 ILE N N 10 114.000 114.000 122.330 -8.330 25800 8526 1 18 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.037 0.783 25800 8527 1 18 . 1 1 10 10 ILE C C 10 173.000 173.000 174.400 -1.400 25800 8528 1 18 . 1 1 10 10 ILE CA C 10 59.400 59.400 61.542 -2.142 25800 8529 1 18 . 1 1 10 10 ILE CB C 10 40.900 40.900 38.962 1.938 25800 8530 1 18 . 1 1 10 10 ILE H H 10 8.830 8.830 8.770 0.060 25800 8531 1 18 . 1 1 11 11 TYR N N 11 123.400 123.400 126.674 -3.274 25800 8532 1 18 . 1 1 11 11 TYR HA H 11 4.930 4.930 4.759 0.171 25800 8533 1 18 . 1 1 11 11 TYR C C 11 173.000 173.000 173.305 -0.305 25800 8534 1 18 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.611 0.389 25800 8535 1 18 . 1 1 11 11 TYR CB C 11 40.900 40.900 41.336 -0.436 25800 8536 1 18 . 1 1 11 11 TYR H H 11 8.690 8.690 7.879 0.811 25800 8537 1 18 . 1 1 12 12 VAL N N 12 126.300 126.300 126.317 -0.017 25800 8538 1 18 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.400 0.160 25800 8539 1 18 . 1 1 12 12 VAL C C 12 174.100 174.100 174.322 -0.222 25800 8540 1 18 . 1 1 12 12 VAL CA C 12 60.200 60.200 60.345 -0.145 25800 8541 1 18 . 1 1 12 12 VAL CB C 12 33.400 33.400 34.933 -1.533 25800 8542 1 18 . 1 1 12 12 VAL H H 12 8.370 8.370 7.839 0.531 25800 8543 1 18 . 1 1 13 13 GLY N N 13 113.000 113.000 109.901 3.099 25800 8544 1 18 . 1 1 13 13 GLY C C 13 173.100 173.100 172.888 0.212 25800 8545 1 18 . 1 1 13 13 GLY CA C 13 43.300 43.300 44.020 -0.720 25800 8546 1 18 . 1 1 13 13 GLY H H 13 9.350 9.350 8.729 0.621 25800 8547 1 18 . 1 1 14 14 ASN N N 14 113.900 113.900 115.920 -2.020 25800 8548 1 18 . 1 1 14 14 ASN HA H 14 4.280 4.280 4.090 0.190 25800 8549 1 18 . 1 1 14 14 ASN C C 14 175.800 175.800 175.250 0.550 25800 8550 1 18 . 1 1 14 14 ASN CA C 14 53.600 53.600 54.582 -0.982 25800 8551 1 18 . 1 1 14 14 ASN CB C 14 37.700 37.700 37.495 0.205 25800 8552 1 18 . 1 1 14 14 ASN H H 14 8.800 8.800 8.077 0.723 25800 8553 1 18 . 1 1 15 15 LEU N N 15 115.800 115.800 115.212 0.588 25800 8554 1 18 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.472 0.518 25800 8555 1 18 . 1 1 15 15 LEU CA C 15 55.600 55.600 53.980 1.620 25800 8556 1 18 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.302 0.298 25800 8557 1 18 . 1 1 15 15 LEU H H 15 7.150 7.150 7.119 0.031 25800 8558 1 18 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.495 -0.425 25800 8559 1 18 . 1 1 16 16 PRO C C 16 171.500 171.500 177.373 -5.873 25800 8560 1 18 . 1 1 16 16 PRO CA C 16 62.500 62.500 63.347 -0.847 25800 8561 1 18 . 1 1 16 16 PRO CB C 16 32.000 32.000 31.471 0.528 25800 8562 1 18 . 1 1 17 17 SER N N 17 115.200 115.200 117.510 -2.310 25800 8563 1 18 . 1 1 17 17 SER HA H 17 4.300 4.300 4.089 0.211 25800 8564 1 18 . 1 1 17 17 SER C C 17 174.200 174.200 173.832 0.368 25800 8565 1 18 . 1 1 17 17 SER CA C 17 58.200 58.200 58.872 -0.672 25800 8566 1 18 . 1 1 17 17 SER CB C 17 63.900 63.900 63.468 0.432 25800 8567 1 18 . 1 1 17 17 SER H H 17 8.470 8.470 8.471 -0.001 25800 8568 1 18 . 1 1 18 18 HIS N N 18 120.800 120.800 120.692 0.108 25800 8569 1 18 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.814 -0.264 25800 8570 1 18 . 1 1 18 18 HIS C C 18 175.100 175.100 174.519 0.581 25800 8571 1 18 . 1 1 18 18 HIS CA C 18 55.500 55.500 55.334 0.166 25800 8572 1 18 . 1 1 18 18 HIS CB C 18 29.300 29.300 29.992 -0.693 25800 8573 1 18 . 1 1 18 18 HIS H H 18 8.540 8.540 8.406 0.134 25800 8574 1 18 . 1 1 19 19 VAL N N 19 115.700 115.700 121.835 -6.135 25800 8575 1 18 . 1 1 19 19 VAL HA H 19 4.260 4.260 4.118 0.142 25800 8576 1 18 . 1 1 19 19 VAL C C 19 174.000 174.000 175.642 -1.642 25800 8577 1 18 . 1 1 19 19 VAL CA C 19 61.900 61.900 62.586 -0.686 25800 8578 1 18 . 1 1 19 19 VAL CB C 19 32.600 32.600 32.304 0.296 25800 8579 1 18 . 1 1 19 19 VAL H H 19 6.650 6.650 7.889 -1.239 25800 8580 1 18 . 1 1 20 20 SER N N 20 118.800 118.800 121.284 -2.484 25800 8581 1 18 . 1 1 20 20 SER HA H 20 4.710 4.710 4.607 0.103 25800 8582 1 18 . 1 1 20 20 SER C C 20 175.900 175.900 175.571 0.329 25800 8583 1 18 . 1 1 20 20 SER CA C 20 55.800 55.800 57.739 -1.939 25800 8584 1 18 . 1 1 20 20 SER CB C 20 66.600 66.600 64.578 2.022 25800 8585 1 18 . 1 1 20 20 SER H H 20 8.930 8.930 8.606 0.324 25800 8586 1 18 . 1 1 21 21 SER N N 21 117.100 117.100 121.075 -3.975 25800 8587 1 18 . 1 1 21 21 SER HA H 21 3.880 3.880 4.071 -0.191 25800 8588 1 18 . 1 1 21 21 SER C C 21 176.200 176.200 176.326 -0.126 25800 8589 1 18 . 1 1 21 21 SER CA C 21 62.300 62.300 61.741 0.559 25800 8590 1 18 . 1 1 21 21 SER CB C 21 66.800 66.800 63.344 3.456 25800 8591 1 18 . 1 1 21 21 SER H H 21 9.080 9.080 9.073 0.007 25800 8592 1 18 . 1 1 22 22 ARG N N 22 121.200 121.200 117.526 3.674 25800 8593 1 18 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.244 -0.254 25800 8594 1 18 . 1 1 22 22 ARG C C 22 177.900 177.900 178.177 -0.277 25800 8595 1 18 . 1 1 22 22 ARG CA C 22 58.700 58.700 58.502 0.198 25800 8596 1 18 . 1 1 22 22 ARG CB C 22 29.600 29.600 28.953 0.647 25800 8597 1 18 . 1 1 22 22 ARG H H 22 7.940 7.940 8.605 -0.665 25800 8598 1 18 . 1 1 23 23 ASP N N 23 118.800 118.800 121.248 -2.448 25800 8599 1 18 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.553 -0.163 25800 8600 1 18 . 1 1 23 23 ASP C C 23 179.200 179.200 178.246 0.954 25800 8601 1 18 . 1 1 23 23 ASP CA C 23 57.300 57.300 56.923 0.377 25800 8602 1 18 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.570 0.430 25800 8603 1 18 . 1 1 23 23 ASP H H 23 7.480 7.480 7.904 -0.424 25800 8604 1 18 . 1 1 24 24 VAL N N 24 119.500 119.500 119.063 0.437 25800 8605 1 18 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.691 -0.321 25800 8606 1 18 . 1 1 24 24 VAL C C 24 177.500 177.500 177.593 -0.093 25800 8607 1 18 . 1 1 24 24 VAL CA C 24 66.900 66.900 65.786 1.114 25800 8608 1 18 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.434 -0.035 25800 8609 1 18 . 1 1 24 24 VAL H H 24 7.450 7.450 7.475 -0.025 25800 8610 1 18 . 1 1 25 25 GLU N N 25 121.400 121.400 120.855 0.545 25800 8611 1 18 . 1 1 25 25 GLU HA H 25 3.570 3.570 3.992 -0.422 25800 8612 1 18 . 1 1 25 25 GLU C C 25 178.400 178.400 178.506 -0.106 25800 8613 1 18 . 1 1 25 25 GLU CA C 25 60.600 60.600 60.239 0.361 25800 8614 1 18 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.324 0.276 25800 8615 1 18 . 1 1 25 25 GLU H H 25 8.580 8.580 8.532 0.048 25800 8616 1 18 . 1 1 26 26 ASN N N 26 114.800 114.800 115.167 -0.367 25800 8617 1 18 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.578 -0.258 25800 8618 1 18 . 1 1 26 26 ASN C C 26 177.400 177.400 176.694 0.706 25800 8619 1 18 . 1 1 26 26 ASN CA C 26 55.900 55.900 55.272 0.628 25800 8620 1 18 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.500 -0.600 25800 8621 1 18 . 1 1 26 26 ASN H H 26 8.180 8.180 7.806 0.374 25800 8622 1 18 . 1 1 27 27 GLU N N 27 118.900 118.900 120.309 -1.409 25800 8623 1 18 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.229 -0.089 25800 8624 1 18 . 1 1 27 27 GLU C C 27 176.400 176.400 178.608 -2.208 25800 8625 1 18 . 1 1 27 27 GLU CA C 27 57.400 57.400 58.511 -1.111 25800 8626 1 18 . 1 1 27 27 GLU CB C 27 29.400 29.400 29.912 -0.512 25800 8627 1 18 . 1 1 27 27 GLU H H 27 7.340 7.340 7.503 -0.163 25800 8628 1 18 . 1 1 28 28 PHE N N 28 114.100 114.100 119.487 -5.387 25800 8629 1 18 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.833 -0.283 25800 8630 1 18 . 1 1 28 28 PHE C C 28 176.300 176.300 178.075 -1.775 25800 8631 1 18 . 1 1 28 28 PHE CA C 28 60.000 60.000 60.284 -0.284 25800 8632 1 18 . 1 1 28 28 PHE CB C 28 40.800 40.800 39.001 1.799 25800 8633 1 18 . 1 1 28 28 PHE H H 28 7.660 7.660 8.245 -0.585 25800 8634 1 18 . 1 1 29 29 ARG N N 29 121.700 121.700 119.663 2.037 25800 8635 1 18 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.435 -0.025 25800 8636 1 18 . 1 1 29 29 ARG C C 29 177.100 177.100 178.227 -1.127 25800 8637 1 18 . 1 1 29 29 ARG CA C 29 58.200 58.200 59.091 -0.891 25800 8638 1 18 . 1 1 29 29 ARG CB C 29 29.300 29.300 29.653 -0.353 25800 8639 1 18 . 1 1 29 29 ARG H H 29 8.120 8.120 8.690 -0.570 25800 8640 1 18 . 1 1 30 30 LYS N N 30 117.200 117.200 119.878 -2.678 25800 8641 1 18 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.204 -0.374 25800 8642 1 18 . 1 1 30 30 LYS C C 30 177.100 177.100 177.335 -0.235 25800 8643 1 18 . 1 1 30 30 LYS CA C 30 57.800 57.800 58.319 -0.519 25800 8644 1 18 . 1 1 30 30 LYS CB C 30 31.100 31.100 31.609 -0.509 25800 8645 1 18 . 1 1 30 30 LYS H H 30 7.630 7.630 7.983 -0.353 25800 8646 1 18 . 1 1 31 31 TYR N N 31 117.100 117.100 117.949 -0.849 25800 8647 1 18 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.656 -0.506 25800 8648 1 18 . 1 1 31 31 TYR C C 31 174.400 174.400 175.283 -0.883 25800 8649 1 18 . 1 1 31 31 TYR CA C 31 59.900 59.900 57.668 2.232 25800 8650 1 18 . 1 1 31 31 TYR CB C 31 37.900 37.900 38.920 -1.020 25800 8651 1 18 . 1 1 31 31 TYR H H 31 7.410 7.410 8.047 -0.637 25800 8652 1 18 . 1 1 32 32 GLY N N 32 104.100 104.100 106.062 -1.962 25800 8653 1 18 . 1 1 32 32 GLY C C 32 177.000 177.000 172.491 4.509 25800 8654 1 18 . 1 1 32 32 GLY CA C 32 44.500 44.500 44.425 0.075 25800 8655 1 18 . 1 1 32 32 GLY H H 32 7.240 7.240 7.525 -0.285 25800 8656 1 18 . 1 1 33 33 ASN N N 33 115.300 115.300 118.753 -3.453 25800 8657 1 18 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.751 -0.311 25800 8658 1 18 . 1 1 33 33 ASN C C 33 175.500 175.500 174.840 0.660 25800 8659 1 18 . 1 1 33 33 ASN CA C 33 54.300 54.300 54.211 0.090 25800 8660 1 18 . 1 1 33 33 ASN CB C 33 38.400 38.400 39.205 -0.805 25800 8661 1 18 . 1 1 33 33 ASN H H 33 8.460 8.460 8.504 -0.044 25800 8662 1 18 . 1 1 34 34 ILE N N 34 126.700 126.700 125.156 1.544 25800 8663 1 18 . 1 1 34 34 ILE HA H 34 3.790 3.790 4.492 -0.702 25800 8664 1 18 . 1 1 34 34 ILE C C 34 175.600 175.600 175.234 0.366 25800 8665 1 18 . 1 1 34 34 ILE CA C 34 61.300 61.300 60.535 0.765 25800 8666 1 18 . 1 1 34 34 ILE CB C 34 40.000 40.000 38.640 1.360 25800 8667 1 18 . 1 1 34 34 ILE H H 34 8.050 8.050 8.440 -0.390 25800 8668 1 18 . 1 1 35 35 LEU N N 35 127.400 127.400 128.781 -1.381 25800 8669 1 18 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.534 -0.374 25800 8670 1 18 . 1 1 35 35 LEU C C 35 177.200 177.200 176.446 0.754 25800 8671 1 18 . 1 1 35 35 LEU CA C 35 55.500 55.500 55.367 0.133 25800 8672 1 18 . 1 1 35 35 LEU CB C 35 42.700 42.700 42.617 0.083 25800 8673 1 18 . 1 1 35 35 LEU H H 35 8.780 8.780 8.575 0.205 25800 8674 1 18 . 1 1 36 36 LYS N N 36 117.000 117.000 118.087 -1.087 25800 8675 1 18 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.503 -0.263 25800 8676 1 18 . 1 1 36 36 LYS C C 36 173.600 173.600 173.710 -0.110 25800 8677 1 18 . 1 1 36 36 LYS CA C 36 55.900 55.900 56.184 -0.284 25800 8678 1 18 . 1 1 36 36 LYS CB C 36 36.600 36.600 35.366 1.234 25800 8679 1 18 . 1 1 36 36 LYS H H 36 7.110 7.110 7.610 -0.500 25800 8680 1 18 . 1 1 37 37 CYS N N 37 125.400 125.400 124.745 0.655 25800 8681 1 18 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.393 -0.693 25800 8682 1 18 . 1 1 37 37 CYS C C 37 171.600 171.600 172.742 -1.142 25800 8683 1 18 . 1 1 37 37 CYS CA C 37 57.900 57.900 57.407 0.493 25800 8684 1 18 . 1 1 37 37 CYS CB C 37 27.100 27.100 29.173 -2.073 25800 8685 1 18 . 1 1 37 37 CYS H H 37 8.610 8.610 8.909 -0.299 25800 8686 1 18 . 1 1 38 38 ASP N N 38 128.200 128.200 128.636 -0.436 25800 8687 1 18 . 1 1 38 38 ASP HA H 38 4.950 4.950 5.108 -0.158 25800 8688 1 18 . 1 1 38 38 ASP C C 38 174.300 174.300 173.869 0.431 25800 8689 1 18 . 1 1 38 38 ASP CA C 38 53.200 53.200 53.667 -0.467 25800 8690 1 18 . 1 1 38 38 ASP CB C 38 44.300 44.300 46.461 -2.161 25800 8691 1 18 . 1 1 38 38 ASP H H 38 8.290 8.290 9.030 -0.740 25800 8692 1 18 . 1 1 39 39 VAL N N 39 123.500 123.500 120.739 2.761 25800 8693 1 18 . 1 1 39 39 VAL HA H 39 4.300 4.300 4.961 -0.661 25800 8694 1 18 . 1 1 39 39 VAL C C 39 175.000 175.000 175.476 -0.476 25800 8695 1 18 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.475 0.225 25800 8696 1 18 . 1 1 39 39 VAL CB C 39 33.100 33.100 34.021 -0.921 25800 8697 1 18 . 1 1 39 39 VAL H H 39 8.380 8.380 8.565 -0.185 25800 8698 1 18 . 1 1 40 40 LYS N N 40 129.100 129.100 127.739 1.361 25800 8699 1 18 . 1 1 40 40 LYS HA H 40 4.320 4.320 5.075 -0.755 25800 8700 1 18 . 1 1 40 40 LYS C C 40 173.700 173.700 174.864 -1.164 25800 8701 1 18 . 1 1 40 40 LYS CA C 40 53.900 53.900 54.711 -0.811 25800 8702 1 18 . 1 1 40 40 LYS CB C 40 35.500 35.500 35.448 0.052 25800 8703 1 18 . 1 1 40 40 LYS H H 40 8.680 8.680 9.356 -0.676 25800 8704 1 18 . 1 1 41 41 LYS N N 41 117.300 117.300 120.254 -2.954 25800 8705 1 18 . 1 1 41 41 LYS HA H 41 4.980 4.980 5.277 -0.297 25800 8706 1 18 . 1 1 41 41 LYS C C 41 177.800 177.800 175.527 2.273 25800 8707 1 18 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.649 -0.049 25800 8708 1 18 . 1 1 41 41 LYS CB C 41 35.000 35.000 35.258 -0.258 25800 8709 1 18 . 1 1 41 41 LYS H H 41 7.900 7.900 8.371 -0.471 25800 8710 1 18 . 1 1 42 42 THR N N 42 113.200 113.200 115.564 -2.364 25800 8711 1 18 . 1 1 42 42 THR HA H 42 4.680 4.680 4.736 -0.056 25800 8712 1 18 . 1 1 42 42 THR C C 42 176.900 176.900 176.551 0.349 25800 8713 1 18 . 1 1 42 42 THR CA C 42 60.200 60.200 60.476 -0.276 25800 8714 1 18 . 1 1 42 42 THR CB C 42 71.600 71.600 69.969 1.631 25800 8715 1 18 . 1 1 42 42 THR H H 42 8.730 8.730 8.436 0.294 25800 8716 1 18 . 1 1 43 43 VAL N N 43 120.000 120.000 124.173 -4.173 25800 8717 1 18 . 1 1 43 43 VAL HA H 43 3.920 3.920 4.019 -0.099 25800 8718 1 18 . 1 1 43 43 VAL C C 43 177.000 177.000 176.545 0.455 25800 8719 1 18 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.466 0.234 25800 8720 1 18 . 1 1 43 43 VAL CB C 43 31.800 31.800 31.726 0.074 25800 8721 1 18 . 1 1 43 43 VAL H H 43 8.730 8.730 8.551 0.179 25800 8722 1 18 . 1 1 44 44 SER N N 44 113.400 113.400 115.492 -2.092 25800 8723 1 18 . 1 1 44 44 SER HA H 44 4.360 4.360 4.366 -0.006 25800 8724 1 18 . 1 1 44 44 SER C C 44 174.800 174.800 175.445 -0.645 25800 8725 1 18 . 1 1 44 44 SER CA C 44 58.400 58.400 58.641 -0.241 25800 8726 1 18 . 1 1 44 44 SER CB C 44 63.500 63.500 63.503 -0.003 25800 8727 1 18 . 1 1 44 44 SER H H 44 7.760 7.760 8.001 -0.241 25800 8728 1 18 . 1 1 45 45 GLY N N 45 110.200 110.200 108.496 1.704 25800 8729 1 18 . 1 1 45 45 GLY C C 45 173.500 173.500 173.808 -0.308 25800 8730 1 18 . 1 1 45 45 GLY CA C 45 45.300 45.300 44.764 0.536 25800 8731 1 18 . 1 1 45 45 GLY H H 45 7.820 7.820 7.712 0.108 25800 8732 1 18 . 1 1 46 46 ALA N N 46 123.900 123.900 122.896 1.004 25800 8733 1 18 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.223 0.167 25800 8734 1 18 . 1 1 46 46 ALA C C 46 176.100 176.100 175.845 0.255 25800 8735 1 18 . 1 1 46 46 ALA CA C 46 51.900 51.900 51.711 0.189 25800 8736 1 18 . 1 1 46 46 ALA CB C 46 19.800 19.800 19.725 0.075 25800 8737 1 18 . 1 1 46 46 ALA H H 46 7.440 7.440 7.831 -0.391 25800 8738 1 18 . 1 1 47 47 ALA N N 47 123.100 123.100 124.775 -1.675 25800 8739 1 18 . 1 1 47 47 ALA HA H 47 5.200 5.200 5.041 0.159 25800 8740 1 18 . 1 1 47 47 ALA C C 47 176.100 176.100 175.785 0.315 25800 8741 1 18 . 1 1 47 47 ALA CA C 47 50.900 50.900 50.390 0.510 25800 8742 1 18 . 1 1 47 47 ALA CB C 47 21.900 21.900 21.334 0.566 25800 8743 1 18 . 1 1 47 47 ALA H H 47 8.350 8.350 8.107 0.243 25800 8744 1 18 . 1 1 48 48 PHE N N 48 118.700 118.700 118.066 0.634 25800 8745 1 18 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.187 -0.157 25800 8746 1 18 . 1 1 48 48 PHE C C 48 171.600 171.600 174.210 -2.610 25800 8747 1 18 . 1 1 48 48 PHE CA C 48 55.700 55.700 56.437 -0.737 25800 8748 1 18 . 1 1 48 48 PHE CB C 48 41.200 41.200 42.927 -1.727 25800 8749 1 18 . 1 1 48 48 PHE H H 48 8.550 8.550 8.915 -0.365 25800 8750 1 18 . 1 1 49 49 ALA N N 49 120.400 120.400 125.238 -4.838 25800 8751 1 18 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.086 0.244 25800 8752 1 18 . 1 1 49 49 ALA C C 49 175.500 175.500 175.520 -0.020 25800 8753 1 18 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.514 -1.214 25800 8754 1 18 . 1 1 49 49 ALA CB C 49 23.700 23.700 21.256 2.444 25800 8755 1 18 . 1 1 49 49 ALA H H 49 9.240 9.240 8.688 0.551 25800 8756 1 18 . 1 1 50 50 PHE N N 50 115.000 115.000 121.782 -6.782 25800 8757 1 18 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.448 0.152 25800 8758 1 18 . 1 1 50 50 PHE C C 50 176.000 176.000 174.273 1.727 25800 8759 1 18 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.664 -0.164 25800 8760 1 18 . 1 1 50 50 PHE CB C 50 42.200 42.200 43.048 -0.848 25800 8761 1 18 . 1 1 50 50 PHE H H 50 7.920 7.920 9.117 -1.197 25800 8762 1 18 . 1 1 51 51 ILE N N 51 123.000 123.000 122.466 0.534 25800 8763 1 18 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.829 -0.379 25800 8764 1 18 . 1 1 51 51 ILE C C 51 173.700 173.700 174.583 -0.883 25800 8765 1 18 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.381 -0.181 25800 8766 1 18 . 1 1 51 51 ILE CB C 51 40.700 40.700 41.964 -1.264 25800 8767 1 18 . 1 1 51 51 ILE H H 51 8.490 8.490 8.310 0.180 25800 8768 1 18 . 1 1 52 52 GLU N N 52 126.600 126.600 125.374 1.226 25800 8769 1 18 . 1 1 52 52 GLU HA H 52 4.770 4.770 5.200 -0.430 25800 8770 1 18 . 1 1 52 52 GLU C C 52 175.300 175.300 175.893 -0.593 25800 8771 1 18 . 1 1 52 52 GLU CA C 52 54.700 54.700 55.739 -1.039 25800 8772 1 18 . 1 1 52 52 GLU CB C 52 31.500 31.500 31.615 -0.115 25800 8773 1 18 . 1 1 52 52 GLU H H 52 8.610 8.610 8.826 -0.216 25800 8774 1 18 . 1 1 53 53 PHE N N 53 126.100 126.100 124.048 2.052 25800 8775 1 18 . 1 1 53 53 PHE HA H 53 4.800 4.800 5.018 -0.218 25800 8776 1 18 . 1 1 53 53 PHE C C 53 175.400 175.400 175.794 -0.394 25800 8777 1 18 . 1 1 53 53 PHE CA C 53 58.200 58.200 56.502 1.698 25800 8778 1 18 . 1 1 53 53 PHE CB C 53 40.900 40.900 42.255 -1.355 25800 8779 1 18 . 1 1 53 53 PHE H H 53 8.800 8.800 8.804 -0.004 25800 8780 1 18 . 1 1 54 54 GLU N N 54 120.700 120.700 120.549 0.151 25800 8781 1 18 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.178 -0.248 25800 8782 1 18 . 1 1 54 54 GLU C C 54 175.300 175.300 176.154 -0.854 25800 8783 1 18 . 1 1 54 54 GLU CA C 54 59.100 59.100 57.742 1.357 25800 8784 1 18 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.276 0.523 25800 8785 1 18 . 1 1 54 54 GLU H H 54 8.160 8.160 8.642 -0.482 25800 8786 1 18 . 1 1 55 55 ASP N N 55 117.900 117.900 118.356 -0.456 25800 8787 1 18 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.708 0.212 25800 8788 1 18 . 1 1 55 55 ASP C C 55 176.400 176.400 175.398 1.002 25800 8789 1 18 . 1 1 55 55 ASP CA C 55 52.400 52.400 53.261 -0.861 25800 8790 1 18 . 1 1 55 55 ASP CB C 55 44.400 44.400 43.055 1.345 25800 8791 1 18 . 1 1 55 55 ASP H H 55 8.740 8.740 7.659 1.081 25800 8792 1 18 . 1 1 56 56 ALA N N 56 128.900 128.900 127.551 1.349 25800 8793 1 18 . 1 1 56 56 ALA HA H 56 3.830 3.830 3.650 0.180 25800 8794 1 18 . 1 1 56 56 ALA C C 56 179.800 179.800 178.713 1.087 25800 8795 1 18 . 1 1 56 56 ALA CA C 56 55.200 55.200 54.294 0.906 25800 8796 1 18 . 1 1 56 56 ALA CB C 56 18.900 18.900 19.457 -0.558 25800 8797 1 18 . 1 1 56 56 ALA H H 56 8.800 8.800 8.535 0.265 25800 8798 1 18 . 1 1 57 57 ARG N N 57 119.200 119.200 118.056 1.144 25800 8799 1 18 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.122 -0.232 25800 8800 1 18 . 1 1 57 57 ARG C C 57 178.000 178.000 177.033 0.967 25800 8801 1 18 . 1 1 57 57 ARG CA C 57 58.900 58.900 58.534 0.366 25800 8802 1 18 . 1 1 57 57 ARG CB C 57 29.300 29.300 29.270 0.030 25800 8803 1 18 . 1 1 57 57 ARG H H 57 8.950 8.950 8.417 0.533 25800 8804 1 18 . 1 1 58 58 ASP N N 58 120.900 120.900 119.811 1.089 25800 8805 1 18 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.530 -0.440 25800 8806 1 18 . 1 1 58 58 ASP C C 58 176.700 176.700 177.729 -1.029 25800 8807 1 18 . 1 1 58 58 ASP CA C 58 56.500 56.500 56.643 -0.143 25800 8808 1 18 . 1 1 58 58 ASP CB C 58 39.900 39.900 40.624 -0.724 25800 8809 1 18 . 1 1 58 58 ASP H H 58 7.020 7.020 8.092 -1.072 25800 8810 1 18 . 1 1 59 59 ALA N N 59 119.700 119.700 122.119 -2.419 25800 8811 1 18 . 1 1 59 59 ALA HA H 59 3.080 3.080 3.725 -0.645 25800 8812 1 18 . 1 1 59 59 ALA C C 59 178.100 178.100 179.390 -1.290 25800 8813 1 18 . 1 1 59 59 ALA CA C 59 54.300 54.300 54.307 -0.007 25800 8814 1 18 . 1 1 59 59 ALA CB C 59 18.400 18.400 17.981 0.419 25800 8815 1 18 . 1 1 59 59 ALA H H 59 6.440 6.440 7.256 -0.816 25800 8816 1 18 . 1 1 60 60 ALA N N 60 117.600 117.600 121.415 -3.815 25800 8817 1 18 . 1 1 60 60 ALA HA H 60 3.830 3.830 4.015 -0.185 25800 8818 1 18 . 1 1 60 60 ALA C C 60 180.900 180.900 178.800 2.100 25800 8819 1 18 . 1 1 60 60 ALA CA C 60 54.900 54.900 55.001 -0.101 25800 8820 1 18 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.340 -0.640 25800 8821 1 18 . 1 1 60 60 ALA H H 60 7.330 7.330 8.220 -0.890 25800 8822 1 18 . 1 1 61 61 ASP N N 61 120.100 120.100 117.807 2.293 25800 8823 1 18 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.506 -0.296 25800 8824 1 18 . 1 1 61 61 ASP C C 61 176.700 176.700 176.992 -0.292 25800 8825 1 18 . 1 1 61 61 ASP CA C 61 57.100 57.100 56.330 0.770 25800 8826 1 18 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.552 -0.452 25800 8827 1 18 . 1 1 61 61 ASP H H 61 7.590 7.590 7.810 -0.220 25800 8828 1 18 . 1 1 62 62 ALA N N 62 122.200 122.200 121.398 0.802 25800 8829 1 18 . 1 1 62 62 ALA HA H 62 2.420 2.420 3.860 -1.440 25800 8830 1 18 . 1 1 62 62 ALA C C 62 179.300 179.300 179.431 -0.131 25800 8831 1 18 . 1 1 62 62 ALA CA C 62 54.600 54.600 53.918 0.682 25800 8832 1 18 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.899 0.201 25800 8833 1 18 . 1 1 62 62 ALA H H 62 7.440 7.440 7.317 0.123 25800 8834 1 18 . 1 1 63 63 ILE N N 63 116.700 116.700 119.681 -2.981 25800 8835 1 18 . 1 1 63 63 ILE HA H 63 3.240 3.240 3.763 -0.523 25800 8836 1 18 . 1 1 63 63 ILE C C 63 177.800 177.800 176.905 0.895 25800 8837 1 18 . 1 1 63 63 ILE CA C 63 65.600 65.600 63.747 1.853 25800 8838 1 18 . 1 1 63 63 ILE CB C 63 38.900 38.900 37.863 1.037 25800 8839 1 18 . 1 1 63 63 ILE H H 63 7.540 7.540 7.472 0.068 25800 8840 1 18 . 1 1 64 64 LYS N N 64 117.400 117.400 118.797 -1.397 25800 8841 1 18 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.322 -0.422 25800 8842 1 18 . 1 1 64 64 LYS C C 64 178.900 178.900 177.621 1.279 25800 8843 1 18 . 1 1 64 64 LYS CA C 64 58.800 58.800 58.047 0.753 25800 8844 1 18 . 1 1 64 64 LYS CB C 64 32.600 32.600 31.729 0.871 25800 8845 1 18 . 1 1 64 64 LYS H H 64 7.490 7.490 7.742 -0.252 25800 8846 1 18 . 1 1 65 65 GLU N N 65 113.800 113.800 118.311 -4.511 25800 8847 1 18 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.329 -0.169 25800 8848 1 18 . 1 1 65 65 GLU C C 65 178.300 178.300 177.369 0.931 25800 8849 1 18 . 1 1 65 65 GLU CA C 65 58.300 58.300 57.746 0.554 25800 8850 1 18 . 1 1 65 65 GLU CB C 65 30.700 30.700 30.175 0.525 25800 8851 1 18 . 1 1 65 65 GLU H H 65 7.960 7.960 8.020 -0.060 25800 8852 1 18 . 1 1 66 66 LYS N N 66 114.700 114.700 118.291 -3.591 25800 8853 1 18 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.437 0.033 25800 8854 1 18 . 1 1 66 66 LYS C C 66 177.500 177.500 177.241 0.259 25800 8855 1 18 . 1 1 66 66 LYS CA C 66 54.400 54.400 55.705 -1.304 25800 8856 1 18 . 1 1 66 66 LYS CB C 66 33.000 33.000 32.841 0.159 25800 8857 1 18 . 1 1 66 66 LYS H H 66 8.050 8.050 7.728 0.322 25800 8858 1 18 . 1 1 67 67 ASP N N 67 118.800 118.800 120.124 -1.324 25800 8859 1 18 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.473 -0.253 25800 8860 1 18 . 1 1 67 67 ASP C C 67 177.700 177.700 177.554 0.146 25800 8861 1 18 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.192 4.208 25800 8862 1 18 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.283 0.117 25800 8863 1 18 . 1 1 67 67 ASP H H 67 7.620 7.620 7.865 -0.245 25800 8864 1 18 . 1 1 68 68 GLY N N 68 115.600 115.600 107.110 8.490 25800 8865 1 18 . 1 1 68 68 GLY C C 68 173.800 173.800 174.597 -0.797 25800 8866 1 18 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.775 1.125 25800 8867 1 18 . 1 1 68 68 GLY H H 68 8.470 8.470 8.565 -0.095 25800 8868 1 18 . 1 1 69 69 CYS N N 69 119.200 119.200 120.565 -1.365 25800 8869 1 18 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.905 -0.745 25800 8870 1 18 . 1 1 69 69 CYS C C 69 172.600 172.600 174.792 -2.192 25800 8871 1 18 . 1 1 69 69 CYS CA C 69 58.000 58.000 57.234 0.766 25800 8872 1 18 . 1 1 69 69 CYS CB C 69 28.700 28.700 28.105 0.595 25800 8873 1 18 . 1 1 69 69 CYS H H 69 7.890 7.890 8.092 -0.202 25800 8874 1 18 . 1 1 70 70 ASP N N 70 122.200 122.200 126.625 -4.425 25800 8875 1 18 . 1 1 70 70 ASP HA H 70 4.830 4.830 4.600 0.230 25800 8876 1 18 . 1 1 70 70 ASP C C 70 176.400 176.400 174.985 1.415 25800 8877 1 18 . 1 1 70 70 ASP CA C 70 54.700 54.700 53.670 1.030 25800 8878 1 18 . 1 1 70 70 ASP CB C 70 42.700 42.700 42.824 -0.124 25800 8879 1 18 . 1 1 70 70 ASP H H 70 8.360 8.360 8.814 -0.454 25800 8880 1 18 . 1 1 71 71 PHE N N 71 127.600 127.600 118.826 8.774 25800 8881 1 18 . 1 1 71 71 PHE HA H 71 4.600 4.600 4.959 -0.359 25800 8882 1 18 . 1 1 71 71 PHE C C 71 173.600 173.600 175.217 -1.617 25800 8883 1 18 . 1 1 71 71 PHE CA C 71 56.800 56.800 56.814 -0.014 25800 8884 1 18 . 1 1 71 71 PHE CB C 71 40.700 40.700 41.056 -0.356 25800 8885 1 18 . 1 1 71 71 PHE H H 71 9.390 9.390 7.485 1.905 25800 8886 1 18 . 1 1 72 72 GLU N N 72 123.900 123.900 118.603 5.297 25800 8887 1 18 . 1 1 72 72 GLU HA H 72 3.540 3.540 4.186 -0.646 25800 8888 1 18 . 1 1 72 72 GLU C C 72 175.500 175.500 175.665 -0.165 25800 8889 1 18 . 1 1 72 72 GLU CA C 72 56.700 56.700 57.090 -0.390 25800 8890 1 18 . 1 1 72 72 GLU CB C 72 27.300 27.300 28.989 -1.689 25800 8891 1 18 . 1 1 72 72 GLU H H 72 8.940 8.940 9.128 -0.188 25800 8892 1 18 . 1 1 73 73 GLY N N 73 105.200 105.200 104.740 0.460 25800 8893 1 18 . 1 1 73 73 GLY C C 73 174.100 174.100 173.768 0.332 25800 8894 1 18 . 1 1 73 73 GLY CA C 73 45.600 45.600 45.222 0.378 25800 8895 1 18 . 1 1 73 73 GLY H H 73 8.350 8.350 7.977 0.373 25800 8896 1 18 . 1 1 74 74 ASN N N 74 121.000 121.000 122.140 -1.140 25800 8897 1 18 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.692 0.068 25800 8898 1 18 . 1 1 74 74 ASN C C 74 174.000 174.000 174.184 -0.184 25800 8899 1 18 . 1 1 74 74 ASN CA C 74 50.900 50.900 53.585 -2.685 25800 8900 1 18 . 1 1 74 74 ASN CB C 74 39.700 39.700 39.230 0.470 25800 8901 1 18 . 1 1 74 74 ASN H H 74 7.740 7.740 8.488 -0.748 25800 8902 1 18 . 1 1 75 75 LYS N N 75 121.400 121.400 117.877 3.523 25800 8903 1 18 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.683 -0.213 25800 8904 1 18 . 1 1 75 75 LYS C C 75 176.900 176.900 174.454 2.446 25800 8905 1 18 . 1 1 75 75 LYS CA C 75 55.300 55.300 55.265 0.035 25800 8906 1 18 . 1 1 75 75 LYS CB C 75 31.900 31.900 32.661 -0.761 25800 8907 1 18 . 1 1 75 75 LYS H H 75 8.380 8.380 8.340 0.040 25800 8908 1 18 . 1 1 76 76 LEU N N 76 127.400 127.400 123.677 3.723 25800 8909 1 18 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.630 -0.200 25800 8910 1 18 . 1 1 76 76 LEU C C 76 177.600 177.600 174.489 3.111 25800 8911 1 18 . 1 1 76 76 LEU CA C 76 55.300 55.300 55.431 -0.131 25800 8912 1 18 . 1 1 76 76 LEU CB C 76 43.100 43.100 45.915 -2.815 25800 8913 1 18 . 1 1 76 76 LEU H H 76 8.950 8.950 7.853 1.097 25800 8914 1 18 . 1 1 77 77 ARG N N 77 121.800 121.800 125.145 -3.345 25800 8915 1 18 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.984 -0.084 25800 8916 1 18 . 1 1 77 77 ARG C C 77 174.700 174.700 173.624 1.076 25800 8917 1 18 . 1 1 77 77 ARG CA C 77 54.000 54.000 55.090 -1.091 25800 8918 1 18 . 1 1 77 77 ARG CB C 77 32.300 32.300 33.770 -1.470 25800 8919 1 18 . 1 1 77 77 ARG H H 77 7.530 7.530 8.872 -1.342 25800 8920 1 18 . 1 1 78 78 VAL N N 78 127.000 127.000 124.815 2.185 25800 8921 1 18 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.573 0.707 25800 8922 1 18 . 1 1 78 78 VAL C C 78 174.200 174.200 174.229 -0.029 25800 8923 1 18 . 1 1 78 78 VAL CA C 78 61.200 61.200 61.533 -0.333 25800 8924 1 18 . 1 1 78 78 VAL CB C 78 33.400 33.400 35.048 -1.648 25800 8925 1 18 . 1 1 78 78 VAL H H 78 9.660 9.660 8.627 1.033 25800 8926 1 18 . 1 1 79 79 GLU N N 79 121.900 121.900 126.143 -4.243 25800 8927 1 18 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.608 0.102 25800 8928 1 18 . 1 1 79 79 GLU C C 79 174.600 174.600 174.056 0.544 25800 8929 1 18 . 1 1 79 79 GLU CA C 79 53.900 53.900 55.854 -1.954 25800 8930 1 18 . 1 1 79 79 GLU CB C 79 34.400 34.400 34.340 0.060 25800 8931 1 18 . 1 1 79 79 GLU H H 79 8.980 8.980 8.500 0.480 25800 8932 1 18 . 1 1 80 80 VAL N N 80 121.300 121.300 124.004 -2.704 25800 8933 1 18 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.327 0.043 25800 8934 1 18 . 1 1 80 80 VAL CA C 80 61.000 61.000 58.977 2.023 25800 8935 1 18 . 1 1 80 80 VAL CB C 80 32.100 32.100 33.533 -1.433 25800 8936 1 18 . 1 1 80 80 VAL H H 80 8.410 8.410 8.442 -0.032 25800 8937 1 18 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.326 -0.066 25800 8938 1 18 . 1 1 81 81 PRO C C 81 176.100 176.100 177.067 -0.967 25800 8939 1 18 . 1 1 81 81 PRO CA C 81 63.100 63.100 64.781 -1.681 25800 8940 1 18 . 1 1 81 81 PRO CB C 81 32.100 32.100 31.730 0.370 25800 8941 1 18 . 1 1 82 82 PHE N N 82 122.200 122.200 114.865 7.335 25800 8942 1 18 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.646 -0.356 25800 8943 1 18 . 1 1 82 82 PHE C C 82 175.300 175.300 175.856 -0.556 25800 8944 1 18 . 1 1 82 82 PHE CA C 82 58.100 58.100 55.811 2.289 25800 8945 1 18 . 1 1 82 82 PHE CB C 82 39.400 39.400 37.946 1.454 25800 8946 1 18 . 1 1 82 82 PHE H H 82 8.150 8.150 7.833 0.317 25800 8947 1 18 . 1 1 83 83 ASN N N 83 120.800 120.800 120.116 0.684 25800 8948 1 18 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.532 -0.092 25800 8949 1 18 . 1 1 83 83 ASN C C 83 174.100 174.100 174.545 -0.445 25800 8950 1 18 . 1 1 83 83 ASN CA C 83 52.700 52.700 53.743 -1.043 25800 8951 1 18 . 1 1 83 83 ASN CB C 83 38.700 38.700 37.471 1.229 25800 8952 1 18 . 1 1 83 83 ASN H H 83 8.110 8.110 7.832 0.278 25800 8953 1 18 . 1 1 84 84 ALA N N 84 123.700 123.700 123.012 0.688 25800 8954 1 18 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.424 -0.344 25800 8955 1 18 . 1 1 84 84 ALA C C 84 177.100 177.100 177.184 -0.084 25800 8956 1 18 . 1 1 84 84 ALA CA C 84 52.400 52.400 52.872 -0.472 25800 8957 1 18 . 1 1 84 84 ALA CB C 84 19.100 19.100 19.895 -0.795 25800 8958 1 18 . 1 1 84 84 ALA H H 84 8.020 8.020 8.227 -0.207 25800 8959 1 18 . 1 1 85 85 ARG N N 85 120.200 120.200 119.690 0.510 25800 8960 1 18 . 1 1 85 85 ARG HA H 85 4.150 4.150 4.132 0.018 25800 8961 1 18 . 1 1 85 85 ARG C C 85 175.200 175.200 174.827 0.373 25800 8962 1 18 . 1 1 85 85 ARG CA C 85 56.000 56.000 57.026 -1.026 25800 8963 1 18 . 1 1 85 85 ARG CB C 85 30.800 30.800 28.522 2.278 25800 8964 1 18 . 1 1 85 85 ARG H H 85 8.040 8.040 8.761 -0.721 25800 8965 1 19 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.698 -0.108 25800 8966 1 19 . 1 1 0 0 HIS C C 0 174.000 174.000 174.586 -0.586 25800 8967 1 19 . 1 1 0 0 HIS CA C 0 55.300 55.300 56.225 -0.925 25800 8968 1 19 . 1 1 0 0 HIS CB C 0 29.300 29.300 30.563 -1.263 25800 8969 1 19 . 1 1 1 1 MET N N 1 122.400 122.400 117.157 5.243 25800 8970 1 19 . 1 1 1 1 MET HA H 1 4.340 4.340 4.705 -0.365 25800 8971 1 19 . 1 1 1 1 MET C C 1 175.600 175.600 173.664 1.936 25800 8972 1 19 . 1 1 1 1 MET CA C 1 55.600 55.600 54.964 0.636 25800 8973 1 19 . 1 1 1 1 MET CB C 1 32.800 32.800 34.804 -2.004 25800 8974 1 19 . 1 1 1 1 MET H H 1 8.310 8.310 7.791 0.519 25800 8975 1 19 . 1 1 2 2 VAL N N 2 123.200 123.200 120.396 2.804 25800 8976 1 19 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.830 -0.870 25800 8977 1 19 . 1 1 2 2 VAL C C 2 175.600 175.600 174.505 1.095 25800 8978 1 19 . 1 1 2 2 VAL CA C 2 62.300 62.300 61.739 0.561 25800 8979 1 19 . 1 1 2 2 VAL CB C 2 32.300 32.300 34.740 -2.441 25800 8980 1 19 . 1 1 2 2 VAL H H 2 8.180 8.180 8.272 -0.092 25800 8981 1 19 . 1 1 3 3 ILE N N 3 126.200 126.200 129.353 -3.153 25800 8982 1 19 . 1 1 3 3 ILE HA H 3 4.050 4.050 4.210 -0.160 25800 8983 1 19 . 1 1 3 3 ILE C C 3 175.800 175.800 174.591 1.209 25800 8984 1 19 . 1 1 3 3 ILE CA C 3 60.700 60.700 60.857 -0.157 25800 8985 1 19 . 1 1 3 3 ILE CB C 3 38.300 38.300 39.885 -1.585 25800 8986 1 19 . 1 1 3 3 ILE H H 3 8.230 8.230 8.377 -0.147 25800 8987 1 19 . 1 1 4 4 ARG N N 4 126.100 126.100 124.234 1.866 25800 8988 1 19 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.305 -0.125 25800 8989 1 19 . 1 1 4 4 ARG C C 4 175.900 175.900 175.826 0.074 25800 8990 1 19 . 1 1 4 4 ARG CA C 4 56.000 56.000 56.374 -0.374 25800 8991 1 19 . 1 1 4 4 ARG CB C 4 30.700 30.700 30.412 0.288 25800 8992 1 19 . 1 1 4 4 ARG H H 4 8.360 8.360 8.321 0.039 25800 8993 1 19 . 1 1 5 5 GLU N N 5 122.200 122.200 120.951 1.249 25800 8994 1 19 . 1 1 5 5 GLU HA H 5 4.140 4.140 3.952 0.188 25800 8995 1 19 . 1 1 5 5 GLU C C 5 176.100 176.100 177.366 -1.266 25800 8996 1 19 . 1 1 5 5 GLU CA C 5 56.600 56.600 57.140 -0.540 25800 8997 1 19 . 1 1 5 5 GLU CB C 5 30.300 30.300 29.647 0.653 25800 8998 1 19 . 1 1 5 5 GLU H H 5 8.400 8.400 8.643 -0.243 25800 8999 1 19 . 1 1 6 6 SER N N 6 116.200 116.200 118.025 -1.825 25800 9000 1 19 . 1 1 6 6 SER HA H 6 4.350 4.350 4.429 -0.079 25800 9001 1 19 . 1 1 6 6 SER C C 6 174.300 174.300 174.856 -0.556 25800 9002 1 19 . 1 1 6 6 SER CA C 6 58.200 58.200 59.941 -1.741 25800 9003 1 19 . 1 1 6 6 SER CB C 6 63.800 63.800 63.929 -0.129 25800 9004 1 19 . 1 1 6 6 SER H H 6 8.270 8.270 8.634 -0.364 25800 9005 1 19 . 1 1 7 7 VAL N N 7 119.800 119.800 116.014 3.786 25800 9006 1 19 . 1 1 7 7 VAL HA H 7 4.300 4.300 4.023 0.277 25800 9007 1 19 . 1 1 7 7 VAL C C 7 175.500 175.500 174.495 1.005 25800 9008 1 19 . 1 1 7 7 VAL CA C 7 61.700 61.700 63.184 -1.484 25800 9009 1 19 . 1 1 7 7 VAL CB C 7 32.800 32.800 31.961 0.839 25800 9010 1 19 . 1 1 7 7 VAL H H 7 7.840 7.840 7.777 0.063 25800 9011 1 19 . 1 1 8 8 SER N N 8 117.800 117.800 120.910 -3.110 25800 9012 1 19 . 1 1 8 8 SER HA H 8 4.240 4.240 4.691 -0.451 25800 9013 1 19 . 1 1 8 8 SER C C 8 172.500 172.500 173.460 -0.960 25800 9014 1 19 . 1 1 8 8 SER CA C 8 58.500 58.500 58.618 -0.118 25800 9015 1 19 . 1 1 8 8 SER CB C 8 63.600 63.600 64.620 -1.020 25800 9016 1 19 . 1 1 8 8 SER H H 8 8.530 8.530 8.551 -0.021 25800 9017 1 19 . 1 1 9 9 ARG N N 9 123.000 123.000 122.366 0.634 25800 9018 1 19 . 1 1 9 9 ARG HA H 9 5.500 5.500 4.667 0.833 25800 9019 1 19 . 1 1 9 9 ARG C C 9 175.000 175.000 175.025 -0.025 25800 9020 1 19 . 1 1 9 9 ARG CA C 9 54.300 54.300 55.026 -0.726 25800 9021 1 19 . 1 1 9 9 ARG CB C 9 33.400 33.400 32.734 0.666 25800 9022 1 19 . 1 1 9 9 ARG H H 9 7.350 7.350 8.454 -1.104 25800 9023 1 19 . 1 1 10 10 ILE N N 10 114.000 114.000 118.252 -4.252 25800 9024 1 19 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.430 0.390 25800 9025 1 19 . 1 1 10 10 ILE C C 10 173.000 173.000 172.747 0.253 25800 9026 1 19 . 1 1 10 10 ILE CA C 10 59.400 59.400 59.612 -0.212 25800 9027 1 19 . 1 1 10 10 ILE CB C 10 40.900 40.900 41.350 -0.450 25800 9028 1 19 . 1 1 10 10 ILE H H 10 8.830 8.830 7.969 0.861 25800 9029 1 19 . 1 1 11 11 TYR N N 11 123.400 123.400 125.770 -2.370 25800 9030 1 19 . 1 1 11 11 TYR HA H 11 4.930 4.930 5.195 -0.265 25800 9031 1 19 . 1 1 11 11 TYR C C 11 173.000 173.000 173.230 -0.230 25800 9032 1 19 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.324 0.676 25800 9033 1 19 . 1 1 11 11 TYR CB C 11 40.900 40.900 41.472 -0.572 25800 9034 1 19 . 1 1 11 11 TYR H H 11 8.690 8.690 8.067 0.623 25800 9035 1 19 . 1 1 12 12 VAL N N 12 126.300 126.300 122.972 3.328 25800 9036 1 19 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.608 -0.048 25800 9037 1 19 . 1 1 12 12 VAL C C 12 174.100 174.100 174.887 -0.787 25800 9038 1 19 . 1 1 12 12 VAL CA C 12 60.200 60.200 59.500 0.700 25800 9039 1 19 . 1 1 12 12 VAL CB C 12 33.400 33.400 31.733 1.667 25800 9040 1 19 . 1 1 12 12 VAL H H 12 8.370 8.370 7.885 0.485 25800 9041 1 19 . 1 1 13 13 GLY N N 13 113.000 113.000 112.668 0.332 25800 9042 1 19 . 1 1 13 13 GLY C C 13 173.100 173.100 174.021 -0.921 25800 9043 1 19 . 1 1 13 13 GLY CA C 13 43.300 43.300 44.107 -0.807 25800 9044 1 19 . 1 1 13 13 GLY H H 13 9.350 9.350 8.120 1.230 25800 9045 1 19 . 1 1 14 14 ASN N N 14 113.900 113.900 117.562 -3.662 25800 9046 1 19 . 1 1 14 14 ASN HA H 14 4.280 4.280 4.230 0.050 25800 9047 1 19 . 1 1 14 14 ASN C C 14 175.800 175.800 174.851 0.949 25800 9048 1 19 . 1 1 14 14 ASN CA C 14 53.600 53.600 54.297 -0.697 25800 9049 1 19 . 1 1 14 14 ASN CB C 14 37.700 37.700 36.823 0.877 25800 9050 1 19 . 1 1 14 14 ASN H H 14 8.800 8.800 8.601 0.199 25800 9051 1 19 . 1 1 15 15 LEU N N 15 115.800 115.800 114.957 0.843 25800 9052 1 19 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.548 0.442 25800 9053 1 19 . 1 1 15 15 LEU CA C 15 55.600 55.600 53.724 1.876 25800 9054 1 19 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.830 -0.230 25800 9055 1 19 . 1 1 15 15 LEU H H 15 7.150 7.150 7.382 -0.232 25800 9056 1 19 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.384 -0.314 25800 9057 1 19 . 1 1 16 16 PRO C C 16 171.500 171.500 177.015 -5.515 25800 9058 1 19 . 1 1 16 16 PRO CA C 16 62.500 62.500 63.133 -0.633 25800 9059 1 19 . 1 1 16 16 PRO CB C 16 32.000 32.000 30.904 1.096 25800 9060 1 19 . 1 1 17 17 SER N N 17 115.200 115.200 118.394 -3.194 25800 9061 1 19 . 1 1 17 17 SER HA H 17 4.300 4.300 4.118 0.182 25800 9062 1 19 . 1 1 17 17 SER C C 17 174.200 174.200 173.971 0.229 25800 9063 1 19 . 1 1 17 17 SER CA C 17 58.200 58.200 57.989 0.211 25800 9064 1 19 . 1 1 17 17 SER CB C 17 63.900 63.900 63.626 0.274 25800 9065 1 19 . 1 1 17 17 SER H H 17 8.470 8.470 8.690 -0.220 25800 9066 1 19 . 1 1 18 18 HIS N N 18 120.800 120.800 122.530 -1.730 25800 9067 1 19 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.504 0.046 25800 9068 1 19 . 1 1 18 18 HIS C C 18 175.100 175.100 173.946 1.154 25800 9069 1 19 . 1 1 18 18 HIS CA C 18 55.500 55.500 55.693 -0.193 25800 9070 1 19 . 1 1 18 18 HIS CB C 18 29.300 29.300 30.482 -1.182 25800 9071 1 19 . 1 1 18 18 HIS H H 18 8.540 8.540 8.185 0.355 25800 9072 1 19 . 1 1 19 19 VAL N N 19 115.700 115.700 122.600 -6.900 25800 9073 1 19 . 1 1 19 19 VAL HA H 19 4.260 4.260 4.281 -0.021 25800 9074 1 19 . 1 1 19 19 VAL C C 19 174.000 174.000 175.780 -1.780 25800 9075 1 19 . 1 1 19 19 VAL CA C 19 61.900 61.900 61.315 0.585 25800 9076 1 19 . 1 1 19 19 VAL CB C 19 32.600 32.600 34.804 -2.204 25800 9077 1 19 . 1 1 19 19 VAL H H 19 6.650 6.650 8.352 -1.702 25800 9078 1 19 . 1 1 20 20 SER N N 20 118.800 118.800 122.393 -3.593 25800 9079 1 19 . 1 1 20 20 SER HA H 20 4.710 4.710 4.714 -0.004 25800 9080 1 19 . 1 1 20 20 SER C C 20 175.900 175.900 175.716 0.184 25800 9081 1 19 . 1 1 20 20 SER CA C 20 55.800 55.800 58.142 -2.342 25800 9082 1 19 . 1 1 20 20 SER CB C 20 66.600 66.600 64.229 2.371 25800 9083 1 19 . 1 1 20 20 SER H H 20 8.930 8.930 8.666 0.264 25800 9084 1 19 . 1 1 21 21 SER N N 21 117.100 117.100 120.626 -3.526 25800 9085 1 19 . 1 1 21 21 SER HA H 21 3.880 3.880 4.198 -0.318 25800 9086 1 19 . 1 1 21 21 SER C C 21 176.200 176.200 176.504 -0.304 25800 9087 1 19 . 1 1 21 21 SER CA C 21 62.300 62.300 61.310 0.990 25800 9088 1 19 . 1 1 21 21 SER CB C 21 66.800 66.800 63.022 3.778 25800 9089 1 19 . 1 1 21 21 SER H H 21 9.080 9.080 8.936 0.144 25800 9090 1 19 . 1 1 22 22 ARG N N 22 121.200 121.200 121.819 -0.619 25800 9091 1 19 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.159 -0.169 25800 9092 1 19 . 1 1 22 22 ARG C C 22 177.900 177.900 177.934 -0.034 25800 9093 1 19 . 1 1 22 22 ARG CA C 22 58.700 58.700 59.228 -0.528 25800 9094 1 19 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.699 -0.099 25800 9095 1 19 . 1 1 22 22 ARG H H 22 7.940 7.940 8.588 -0.648 25800 9096 1 19 . 1 1 23 23 ASP N N 23 118.800 118.800 118.785 0.015 25800 9097 1 19 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.494 -0.104 25800 9098 1 19 . 1 1 23 23 ASP C C 23 179.200 179.200 178.803 0.397 25800 9099 1 19 . 1 1 23 23 ASP CA C 23 57.300 57.300 57.436 -0.136 25800 9100 1 19 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.349 0.651 25800 9101 1 19 . 1 1 23 23 ASP H H 23 7.480 7.480 7.611 -0.131 25800 9102 1 19 . 1 1 24 24 VAL N N 24 119.500 119.500 117.564 1.936 25800 9103 1 19 . 1 1 24 24 VAL HA H 24 3.370 3.370 4.082 -0.712 25800 9104 1 19 . 1 1 24 24 VAL C C 24 177.500 177.500 177.802 -0.302 25800 9105 1 19 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.402 0.498 25800 9106 1 19 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.569 -0.169 25800 9107 1 19 . 1 1 24 24 VAL H H 24 7.450 7.450 7.854 -0.404 25800 9108 1 19 . 1 1 25 25 GLU N N 25 121.400 121.400 120.620 0.780 25800 9109 1 19 . 1 1 25 25 GLU HA H 25 3.570 3.570 4.062 -0.492 25800 9110 1 19 . 1 1 25 25 GLU C C 25 178.400 178.400 179.161 -0.761 25800 9111 1 19 . 1 1 25 25 GLU CA C 25 60.600 60.600 59.792 0.807 25800 9112 1 19 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.426 0.174 25800 9113 1 19 . 1 1 25 25 GLU H H 25 8.580 8.580 8.523 0.057 25800 9114 1 19 . 1 1 26 26 ASN N N 26 114.800 114.800 116.294 -1.494 25800 9115 1 19 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.584 -0.264 25800 9116 1 19 . 1 1 26 26 ASN C C 26 177.400 177.400 176.972 0.428 25800 9117 1 19 . 1 1 26 26 ASN CA C 26 55.900 55.900 55.404 0.497 25800 9118 1 19 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.887 -0.987 25800 9119 1 19 . 1 1 26 26 ASN H H 26 8.180 8.180 8.260 -0.080 25800 9120 1 19 . 1 1 27 27 GLU N N 27 118.900 118.900 119.396 -0.496 25800 9121 1 19 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.201 -0.061 25800 9122 1 19 . 1 1 27 27 GLU C C 27 176.400 176.400 178.672 -2.272 25800 9123 1 19 . 1 1 27 27 GLU CA C 27 57.400 57.400 58.584 -1.184 25800 9124 1 19 . 1 1 27 27 GLU CB C 27 29.400 29.400 30.100 -0.700 25800 9125 1 19 . 1 1 27 27 GLU H H 27 7.340 7.340 8.080 -0.740 25800 9126 1 19 . 1 1 28 28 PHE N N 28 114.100 114.100 118.798 -4.698 25800 9127 1 19 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.672 -0.122 25800 9128 1 19 . 1 1 28 28 PHE C C 28 176.300 176.300 177.651 -1.351 25800 9129 1 19 . 1 1 28 28 PHE CA C 28 60.000 60.000 61.521 -1.521 25800 9130 1 19 . 1 1 28 28 PHE CB C 28 40.800 40.800 39.501 1.299 25800 9131 1 19 . 1 1 28 28 PHE H H 28 7.660 7.660 8.563 -0.903 25800 9132 1 19 . 1 1 29 29 ARG N N 29 121.700 121.700 118.570 3.130 25800 9133 1 19 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.226 0.184 25800 9134 1 19 . 1 1 29 29 ARG C C 29 177.100 177.100 177.111 -0.011 25800 9135 1 19 . 1 1 29 29 ARG CA C 29 58.200 58.200 58.215 -0.015 25800 9136 1 19 . 1 1 29 29 ARG CB C 29 29.300 29.300 29.570 -0.270 25800 9137 1 19 . 1 1 29 29 ARG H H 29 8.120 8.120 7.995 0.125 25800 9138 1 19 . 1 1 30 30 LYS N N 30 117.200 117.200 119.145 -1.945 25800 9139 1 19 . 1 1 30 30 LYS HA H 30 3.830 3.830 3.923 -0.093 25800 9140 1 19 . 1 1 30 30 LYS C C 30 177.100 177.100 178.138 -1.038 25800 9141 1 19 . 1 1 30 30 LYS CA C 30 57.800 57.800 57.963 -0.163 25800 9142 1 19 . 1 1 30 30 LYS CB C 30 31.100 31.100 31.744 -0.644 25800 9143 1 19 . 1 1 30 30 LYS H H 30 7.630 7.630 7.447 0.183 25800 9144 1 19 . 1 1 31 31 TYR N N 31 117.100 117.100 117.507 -0.407 25800 9145 1 19 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.368 -0.218 25800 9146 1 19 . 1 1 31 31 TYR C C 31 174.400 174.400 175.737 -1.337 25800 9147 1 19 . 1 1 31 31 TYR CA C 31 59.900 59.900 59.572 0.328 25800 9148 1 19 . 1 1 31 31 TYR CB C 31 37.900 37.900 39.433 -1.533 25800 9149 1 19 . 1 1 31 31 TYR H H 31 7.410 7.410 7.433 -0.023 25800 9150 1 19 . 1 1 32 32 GLY N N 32 104.100 104.100 103.316 0.784 25800 9151 1 19 . 1 1 32 32 GLY C C 32 177.000 177.000 171.577 5.423 25800 9152 1 19 . 1 1 32 32 GLY CA C 32 44.500 44.500 44.347 0.153 25800 9153 1 19 . 1 1 32 32 GLY H H 32 7.240 7.240 6.746 0.494 25800 9154 1 19 . 1 1 33 33 ASN N N 33 115.300 115.300 119.526 -4.226 25800 9155 1 19 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.655 -0.215 25800 9156 1 19 . 1 1 33 33 ASN C C 33 175.500 175.500 175.018 0.482 25800 9157 1 19 . 1 1 33 33 ASN CA C 33 54.300 54.300 53.855 0.445 25800 9158 1 19 . 1 1 33 33 ASN CB C 33 38.400 38.400 38.981 -0.581 25800 9159 1 19 . 1 1 33 33 ASN H H 33 8.460 8.460 8.607 -0.147 25800 9160 1 19 . 1 1 34 34 ILE N N 34 126.700 126.700 126.490 0.210 25800 9161 1 19 . 1 1 34 34 ILE HA H 34 3.790 3.790 4.642 -0.852 25800 9162 1 19 . 1 1 34 34 ILE C C 34 175.600 175.600 175.598 0.002 25800 9163 1 19 . 1 1 34 34 ILE CA C 34 61.300 61.300 61.929 -0.629 25800 9164 1 19 . 1 1 34 34 ILE CB C 34 40.000 40.000 38.473 1.527 25800 9165 1 19 . 1 1 34 34 ILE H H 34 8.050 8.050 8.592 -0.542 25800 9166 1 19 . 1 1 35 35 LEU N N 35 127.400 127.400 129.289 -1.889 25800 9167 1 19 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.537 -0.377 25800 9168 1 19 . 1 1 35 35 LEU C C 35 177.200 177.200 176.656 0.544 25800 9169 1 19 . 1 1 35 35 LEU CA C 35 55.500 55.500 55.705 -0.205 25800 9170 1 19 . 1 1 35 35 LEU CB C 35 42.700 42.700 42.588 0.112 25800 9171 1 19 . 1 1 35 35 LEU H H 35 8.780 8.780 8.993 -0.213 25800 9172 1 19 . 1 1 36 36 LYS N N 36 117.000 117.000 117.928 -0.928 25800 9173 1 19 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.677 -0.437 25800 9174 1 19 . 1 1 36 36 LYS C C 36 173.600 173.600 174.375 -0.775 25800 9175 1 19 . 1 1 36 36 LYS CA C 36 55.900 55.900 55.814 0.086 25800 9176 1 19 . 1 1 36 36 LYS CB C 36 36.600 36.600 36.430 0.170 25800 9177 1 19 . 1 1 36 36 LYS H H 36 7.110 7.110 7.693 -0.583 25800 9178 1 19 . 1 1 37 37 CYS N N 37 125.400 125.400 119.063 6.337 25800 9179 1 19 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.784 -1.084 25800 9180 1 19 . 1 1 37 37 CYS C C 37 171.600 171.600 173.056 -1.456 25800 9181 1 19 . 1 1 37 37 CYS CA C 37 57.900 57.900 56.453 1.447 25800 9182 1 19 . 1 1 37 37 CYS CB C 37 27.100 27.100 31.982 -4.882 25800 9183 1 19 . 1 1 37 37 CYS H H 37 8.610 8.610 8.588 0.022 25800 9184 1 19 . 1 1 38 38 ASP N N 38 128.200 128.200 121.113 7.087 25800 9185 1 19 . 1 1 38 38 ASP HA H 38 4.950 4.950 5.027 -0.077 25800 9186 1 19 . 1 1 38 38 ASP C C 38 174.300 174.300 174.151 0.149 25800 9187 1 19 . 1 1 38 38 ASP CA C 38 53.200 53.200 53.747 -0.547 25800 9188 1 19 . 1 1 38 38 ASP CB C 38 44.300 44.300 45.693 -1.393 25800 9189 1 19 . 1 1 38 38 ASP H H 38 8.290 8.290 9.040 -0.750 25800 9190 1 19 . 1 1 39 39 VAL N N 39 123.500 123.500 121.358 2.142 25800 9191 1 19 . 1 1 39 39 VAL HA H 39 4.300 4.300 4.725 -0.425 25800 9192 1 19 . 1 1 39 39 VAL C C 39 175.000 175.000 175.941 -0.941 25800 9193 1 19 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.837 -0.136 25800 9194 1 19 . 1 1 39 39 VAL CB C 39 33.100 33.100 33.209 -0.109 25800 9195 1 19 . 1 1 39 39 VAL H H 39 8.380 8.380 8.583 -0.203 25800 9196 1 19 . 1 1 40 40 LYS N N 40 129.100 129.100 127.386 1.714 25800 9197 1 19 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.771 -0.451 25800 9198 1 19 . 1 1 40 40 LYS C C 40 173.700 173.700 174.841 -1.141 25800 9199 1 19 . 1 1 40 40 LYS CA C 40 53.900 53.900 53.926 -0.026 25800 9200 1 19 . 1 1 40 40 LYS CB C 40 35.500 35.500 35.695 -0.195 25800 9201 1 19 . 1 1 40 40 LYS H H 40 8.680 8.680 9.429 -0.749 25800 9202 1 19 . 1 1 41 41 LYS N N 41 117.300 117.300 120.892 -3.592 25800 9203 1 19 . 1 1 41 41 LYS HA H 41 4.980 4.980 5.093 -0.113 25800 9204 1 19 . 1 1 41 41 LYS C C 41 177.800 177.800 175.909 1.891 25800 9205 1 19 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.960 -0.360 25800 9206 1 19 . 1 1 41 41 LYS CB C 41 35.000 35.000 35.819 -0.819 25800 9207 1 19 . 1 1 41 41 LYS H H 41 7.900 7.900 8.528 -0.628 25800 9208 1 19 . 1 1 42 42 THR N N 42 113.200 113.200 117.084 -3.884 25800 9209 1 19 . 1 1 42 42 THR HA H 42 4.680 4.680 4.831 -0.151 25800 9210 1 19 . 1 1 42 42 THR C C 42 176.900 176.900 176.065 0.835 25800 9211 1 19 . 1 1 42 42 THR CA C 42 60.200 60.200 60.188 0.012 25800 9212 1 19 . 1 1 42 42 THR CB C 42 71.600 71.600 70.008 1.592 25800 9213 1 19 . 1 1 42 42 THR H H 42 8.730 8.730 8.168 0.562 25800 9214 1 19 . 1 1 43 43 VAL N N 43 120.000 120.000 127.467 -7.467 25800 9215 1 19 . 1 1 43 43 VAL HA H 43 3.920 3.920 3.908 0.012 25800 9216 1 19 . 1 1 43 43 VAL C C 43 177.000 177.000 176.672 0.328 25800 9217 1 19 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.520 0.180 25800 9218 1 19 . 1 1 43 43 VAL CB C 43 31.800 31.800 31.910 -0.110 25800 9219 1 19 . 1 1 43 43 VAL H H 43 8.730 8.730 8.670 0.060 25800 9220 1 19 . 1 1 44 44 SER N N 44 113.400 113.400 114.367 -0.967 25800 9221 1 19 . 1 1 44 44 SER HA H 44 4.360 4.360 4.353 0.007 25800 9222 1 19 . 1 1 44 44 SER C C 44 174.800 174.800 175.418 -0.618 25800 9223 1 19 . 1 1 44 44 SER CA C 44 58.400 58.400 58.658 -0.258 25800 9224 1 19 . 1 1 44 44 SER CB C 44 63.500 63.500 63.499 0.001 25800 9225 1 19 . 1 1 44 44 SER H H 44 7.760 7.760 7.928 -0.168 25800 9226 1 19 . 1 1 45 45 GLY N N 45 110.200 110.200 108.599 1.601 25800 9227 1 19 . 1 1 45 45 GLY C C 45 173.500 173.500 173.855 -0.355 25800 9228 1 19 . 1 1 45 45 GLY CA C 45 45.300 45.300 44.847 0.453 25800 9229 1 19 . 1 1 45 45 GLY H H 45 7.820 7.820 7.781 0.039 25800 9230 1 19 . 1 1 46 46 ALA N N 46 123.900 123.900 121.297 2.603 25800 9231 1 19 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.358 0.032 25800 9232 1 19 . 1 1 46 46 ALA C C 46 176.100 176.100 175.271 0.829 25800 9233 1 19 . 1 1 46 46 ALA CA C 46 51.900 51.900 51.925 -0.025 25800 9234 1 19 . 1 1 46 46 ALA CB C 46 19.800 19.800 19.847 -0.047 25800 9235 1 19 . 1 1 46 46 ALA H H 46 7.440 7.440 7.672 -0.232 25800 9236 1 19 . 1 1 47 47 ALA N N 47 123.100 123.100 121.719 1.381 25800 9237 1 19 . 1 1 47 47 ALA HA H 47 5.200 5.200 4.787 0.413 25800 9238 1 19 . 1 1 47 47 ALA C C 47 176.100 176.100 175.051 1.049 25800 9239 1 19 . 1 1 47 47 ALA CA C 47 50.900 50.900 49.850 1.050 25800 9240 1 19 . 1 1 47 47 ALA CB C 47 21.900 21.900 22.274 -0.374 25800 9241 1 19 . 1 1 47 47 ALA H H 47 8.350 8.350 7.904 0.446 25800 9242 1 19 . 1 1 48 48 PHE N N 48 118.700 118.700 116.189 2.511 25800 9243 1 19 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.348 -0.318 25800 9244 1 19 . 1 1 48 48 PHE C C 48 171.600 171.600 174.075 -2.475 25800 9245 1 19 . 1 1 48 48 PHE CA C 48 55.700 55.700 56.356 -0.656 25800 9246 1 19 . 1 1 48 48 PHE CB C 48 41.200 41.200 42.248 -1.048 25800 9247 1 19 . 1 1 48 48 PHE H H 48 8.550 8.550 8.394 0.156 25800 9248 1 19 . 1 1 49 49 ALA N N 49 120.400 120.400 123.807 -3.407 25800 9249 1 19 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.358 -0.028 25800 9250 1 19 . 1 1 49 49 ALA C C 49 175.500 175.500 175.563 -0.063 25800 9251 1 19 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.450 -1.150 25800 9252 1 19 . 1 1 49 49 ALA CB C 49 23.700 23.700 21.306 2.394 25800 9253 1 19 . 1 1 49 49 ALA H H 49 9.240 9.240 8.385 0.855 25800 9254 1 19 . 1 1 50 50 PHE N N 50 115.000 115.000 119.769 -4.769 25800 9255 1 19 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.561 0.039 25800 9256 1 19 . 1 1 50 50 PHE C C 50 176.000 176.000 174.529 1.471 25800 9257 1 19 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.564 -0.064 25800 9258 1 19 . 1 1 50 50 PHE CB C 50 42.200 42.200 42.619 -0.419 25800 9259 1 19 . 1 1 50 50 PHE H H 50 7.920 7.920 9.154 -1.234 25800 9260 1 19 . 1 1 51 51 ILE N N 51 123.000 123.000 121.154 1.846 25800 9261 1 19 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.897 -0.447 25800 9262 1 19 . 1 1 51 51 ILE C C 51 173.700 173.700 173.822 -0.122 25800 9263 1 19 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.190 0.010 25800 9264 1 19 . 1 1 51 51 ILE CB C 51 40.700 40.700 42.630 -1.930 25800 9265 1 19 . 1 1 51 51 ILE H H 51 8.490 8.490 8.523 -0.033 25800 9266 1 19 . 1 1 52 52 GLU N N 52 126.600 126.600 123.381 3.219 25800 9267 1 19 . 1 1 52 52 GLU HA H 52 4.770 4.770 5.117 -0.347 25800 9268 1 19 . 1 1 52 52 GLU C C 52 175.300 175.300 174.921 0.379 25800 9269 1 19 . 1 1 52 52 GLU CA C 52 54.700 54.700 53.858 0.842 25800 9270 1 19 . 1 1 52 52 GLU CB C 52 31.500 31.500 33.171 -1.671 25800 9271 1 19 . 1 1 52 52 GLU H H 52 8.610 8.610 8.668 -0.058 25800 9272 1 19 . 1 1 53 53 PHE N N 53 126.100 126.100 124.168 1.932 25800 9273 1 19 . 1 1 53 53 PHE HA H 53 4.800 4.800 5.447 -0.647 25800 9274 1 19 . 1 1 53 53 PHE C C 53 175.400 175.400 177.096 -1.696 25800 9275 1 19 . 1 1 53 53 PHE CA C 53 58.200 58.200 55.138 3.062 25800 9276 1 19 . 1 1 53 53 PHE CB C 53 40.900 40.900 41.301 -0.401 25800 9277 1 19 . 1 1 53 53 PHE H H 53 8.800 8.800 8.147 0.653 25800 9278 1 19 . 1 1 54 54 GLU N N 54 120.700 120.700 121.882 -1.182 25800 9279 1 19 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.113 -0.183 25800 9280 1 19 . 1 1 54 54 GLU C C 54 175.300 175.300 175.806 -0.506 25800 9281 1 19 . 1 1 54 54 GLU CA C 54 59.100 59.100 59.918 -0.818 25800 9282 1 19 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.467 0.333 25800 9283 1 19 . 1 1 54 54 GLU H H 54 8.160 8.160 8.654 -0.494 25800 9284 1 19 . 1 1 55 55 ASP N N 55 117.900 117.900 118.203 -0.303 25800 9285 1 19 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.913 0.007 25800 9286 1 19 . 1 1 55 55 ASP C C 55 176.400 176.400 175.764 0.636 25800 9287 1 19 . 1 1 55 55 ASP CA C 55 52.400 52.400 53.505 -1.105 25800 9288 1 19 . 1 1 55 55 ASP CB C 55 44.400 44.400 42.437 1.963 25800 9289 1 19 . 1 1 55 55 ASP H H 55 8.740 8.740 8.065 0.675 25800 9290 1 19 . 1 1 56 56 ALA N N 56 128.900 128.900 126.880 2.020 25800 9291 1 19 . 1 1 56 56 ALA HA H 56 3.830 3.830 4.203 -0.373 25800 9292 1 19 . 1 1 56 56 ALA C C 56 179.800 179.800 178.800 1.000 25800 9293 1 19 . 1 1 56 56 ALA CA C 56 55.200 55.200 55.519 -0.319 25800 9294 1 19 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.995 -0.095 25800 9295 1 19 . 1 1 56 56 ALA H H 56 8.800 8.800 8.796 0.004 25800 9296 1 19 . 1 1 57 57 ARG N N 57 119.200 119.200 116.618 2.582 25800 9297 1 19 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.164 -0.274 25800 9298 1 19 . 1 1 57 57 ARG C C 57 178.000 178.000 177.446 0.554 25800 9299 1 19 . 1 1 57 57 ARG CA C 57 58.900 58.900 58.243 0.657 25800 9300 1 19 . 1 1 57 57 ARG CB C 57 29.300 29.300 28.933 0.367 25800 9301 1 19 . 1 1 57 57 ARG H H 57 8.950 8.950 8.483 0.467 25800 9302 1 19 . 1 1 58 58 ASP N N 58 120.900 120.900 119.239 1.661 25800 9303 1 19 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.496 -0.406 25800 9304 1 19 . 1 1 58 58 ASP C C 58 176.700 176.700 177.667 -0.967 25800 9305 1 19 . 1 1 58 58 ASP CA C 58 56.500 56.500 56.641 -0.141 25800 9306 1 19 . 1 1 58 58 ASP CB C 58 39.900 39.900 40.592 -0.692 25800 9307 1 19 . 1 1 58 58 ASP H H 58 7.020 7.020 8.476 -1.456 25800 9308 1 19 . 1 1 59 59 ALA N N 59 119.700 119.700 120.671 -0.971 25800 9309 1 19 . 1 1 59 59 ALA HA H 59 3.080 3.080 4.626 -1.546 25800 9310 1 19 . 1 1 59 59 ALA C C 59 178.100 178.100 179.054 -0.954 25800 9311 1 19 . 1 1 59 59 ALA CA C 59 54.300 54.300 53.298 1.002 25800 9312 1 19 . 1 1 59 59 ALA CB C 59 18.400 18.400 18.679 -0.279 25800 9313 1 19 . 1 1 59 59 ALA H H 59 6.440 6.440 7.553 -1.113 25800 9314 1 19 . 1 1 60 60 ALA N N 60 117.600 117.600 122.889 -5.289 25800 9315 1 19 . 1 1 60 60 ALA HA H 60 3.830 3.830 3.979 -0.149 25800 9316 1 19 . 1 1 60 60 ALA C C 60 180.900 180.900 178.242 2.658 25800 9317 1 19 . 1 1 60 60 ALA CA C 60 54.900 54.900 55.085 -0.185 25800 9318 1 19 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.381 -0.680 25800 9319 1 19 . 1 1 60 60 ALA H H 60 7.330 7.330 8.121 -0.791 25800 9320 1 19 . 1 1 61 61 ASP N N 61 120.100 120.100 118.679 1.421 25800 9321 1 19 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.434 -0.224 25800 9322 1 19 . 1 1 61 61 ASP C C 61 176.700 176.700 177.354 -0.654 25800 9323 1 19 . 1 1 61 61 ASP CA C 61 57.100 57.100 56.449 0.651 25800 9324 1 19 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.265 -0.165 25800 9325 1 19 . 1 1 61 61 ASP H H 61 7.590 7.590 8.228 -0.638 25800 9326 1 19 . 1 1 62 62 ALA N N 62 122.200 122.200 122.422 -0.222 25800 9327 1 19 . 1 1 62 62 ALA HA H 62 2.420 2.420 3.981 -1.561 25800 9328 1 19 . 1 1 62 62 ALA C C 62 179.300 179.300 179.310 -0.010 25800 9329 1 19 . 1 1 62 62 ALA CA C 62 54.600 54.600 54.504 0.096 25800 9330 1 19 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.829 0.271 25800 9331 1 19 . 1 1 62 62 ALA H H 62 7.440 7.440 7.841 -0.401 25800 9332 1 19 . 1 1 63 63 ILE N N 63 116.700 116.700 119.160 -2.460 25800 9333 1 19 . 1 1 63 63 ILE HA H 63 3.240 3.240 3.633 -0.393 25800 9334 1 19 . 1 1 63 63 ILE C C 63 177.800 177.800 177.989 -0.189 25800 9335 1 19 . 1 1 63 63 ILE CA C 63 65.600 65.600 63.966 1.634 25800 9336 1 19 . 1 1 63 63 ILE CB C 63 38.900 38.900 37.385 1.515 25800 9337 1 19 . 1 1 63 63 ILE H H 63 7.540 7.540 7.546 -0.006 25800 9338 1 19 . 1 1 64 64 LYS N N 64 117.400 117.400 117.893 -0.493 25800 9339 1 19 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.413 -0.513 25800 9340 1 19 . 1 1 64 64 LYS C C 64 178.900 178.900 176.950 1.950 25800 9341 1 19 . 1 1 64 64 LYS CA C 64 58.800 58.800 57.687 1.113 25800 9342 1 19 . 1 1 64 64 LYS CB C 64 32.600 32.600 31.631 0.969 25800 9343 1 19 . 1 1 64 64 LYS H H 64 7.490 7.490 7.911 -0.421 25800 9344 1 19 . 1 1 65 65 GLU N N 65 113.800 113.800 115.925 -2.125 25800 9345 1 19 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.445 -0.285 25800 9346 1 19 . 1 1 65 65 GLU C C 65 178.300 178.300 177.151 1.149 25800 9347 1 19 . 1 1 65 65 GLU CA C 65 58.300 58.300 55.835 2.465 25800 9348 1 19 . 1 1 65 65 GLU CB C 65 30.700 30.700 31.292 -0.592 25800 9349 1 19 . 1 1 65 65 GLU H H 65 7.960 7.960 7.973 -0.013 25800 9350 1 19 . 1 1 66 66 LYS N N 66 114.700 114.700 118.877 -4.177 25800 9351 1 19 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.317 0.153 25800 9352 1 19 . 1 1 66 66 LYS C C 66 177.500 177.500 177.106 0.394 25800 9353 1 19 . 1 1 66 66 LYS CA C 66 54.400 54.400 56.888 -2.488 25800 9354 1 19 . 1 1 66 66 LYS CB C 66 33.000 33.000 32.314 0.686 25800 9355 1 19 . 1 1 66 66 LYS H H 66 8.050 8.050 8.369 -0.319 25800 9356 1 19 . 1 1 67 67 ASP N N 67 118.800 118.800 119.545 -0.745 25800 9357 1 19 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.469 -0.249 25800 9358 1 19 . 1 1 67 67 ASP C C 67 177.700 177.700 177.290 0.410 25800 9359 1 19 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.332 4.068 25800 9360 1 19 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.026 0.374 25800 9361 1 19 . 1 1 67 67 ASP H H 67 7.620 7.620 7.817 -0.197 25800 9362 1 19 . 1 1 68 68 GLY N N 68 115.600 115.600 107.227 8.373 25800 9363 1 19 . 1 1 68 68 GLY C C 68 173.800 173.800 175.307 -1.507 25800 9364 1 19 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.823 1.077 25800 9365 1 19 . 1 1 68 68 GLY H H 68 8.470 8.470 8.608 -0.138 25800 9366 1 19 . 1 1 69 69 CYS N N 69 119.200 119.200 118.256 0.944 25800 9367 1 19 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.742 -0.582 25800 9368 1 19 . 1 1 69 69 CYS C C 69 172.600 172.600 174.627 -2.027 25800 9369 1 19 . 1 1 69 69 CYS CA C 69 58.000 58.000 57.958 0.042 25800 9370 1 19 . 1 1 69 69 CYS CB C 69 28.700 28.700 29.170 -0.470 25800 9371 1 19 . 1 1 69 69 CYS H H 69 7.890 7.890 8.169 -0.279 25800 9372 1 19 . 1 1 70 70 ASP N N 70 122.200 122.200 122.672 -0.472 25800 9373 1 19 . 1 1 70 70 ASP HA H 70 4.830 4.830 5.068 -0.238 25800 9374 1 19 . 1 1 70 70 ASP C C 70 176.400 176.400 174.284 2.116 25800 9375 1 19 . 1 1 70 70 ASP CA C 70 54.700 54.700 53.564 1.136 25800 9376 1 19 . 1 1 70 70 ASP CB C 70 42.700 42.700 44.165 -1.465 25800 9377 1 19 . 1 1 70 70 ASP H H 70 8.360 8.360 8.896 -0.536 25800 9378 1 19 . 1 1 71 71 PHE N N 71 127.600 127.600 120.506 7.094 25800 9379 1 19 . 1 1 71 71 PHE HA H 71 4.600 4.600 5.020 -0.420 25800 9380 1 19 . 1 1 71 71 PHE C C 71 173.600 173.600 175.673 -2.073 25800 9381 1 19 . 1 1 71 71 PHE CA C 71 56.800 56.800 57.405 -0.605 25800 9382 1 19 . 1 1 71 71 PHE CB C 71 40.700 40.700 42.233 -1.534 25800 9383 1 19 . 1 1 71 71 PHE H H 71 9.390 9.390 8.278 1.112 25800 9384 1 19 . 1 1 72 72 GLU N N 72 123.900 123.900 118.506 5.394 25800 9385 1 19 . 1 1 72 72 GLU HA H 72 3.540 3.540 4.045 -0.505 25800 9386 1 19 . 1 1 72 72 GLU C C 72 175.500 175.500 175.295 0.205 25800 9387 1 19 . 1 1 72 72 GLU CA C 72 56.700 56.700 57.314 -0.614 25800 9388 1 19 . 1 1 72 72 GLU CB C 72 27.300 27.300 28.821 -1.521 25800 9389 1 19 . 1 1 72 72 GLU H H 72 8.940 8.940 8.604 0.336 25800 9390 1 19 . 1 1 73 73 GLY N N 73 105.200 105.200 104.356 0.844 25800 9391 1 19 . 1 1 73 73 GLY C C 73 174.100 174.100 174.027 0.073 25800 9392 1 19 . 1 1 73 73 GLY CA C 73 45.600 45.600 45.022 0.578 25800 9393 1 19 . 1 1 73 73 GLY H H 73 8.350 8.350 7.958 0.392 25800 9394 1 19 . 1 1 74 74 ASN N N 74 121.000 121.000 120.293 0.707 25800 9395 1 19 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.844 -0.084 25800 9396 1 19 . 1 1 74 74 ASN C C 74 174.000 174.000 173.653 0.347 25800 9397 1 19 . 1 1 74 74 ASN CA C 74 50.900 50.900 53.032 -2.132 25800 9398 1 19 . 1 1 74 74 ASN CB C 74 39.700 39.700 39.425 0.276 25800 9399 1 19 . 1 1 74 74 ASN H H 74 7.740 7.740 8.355 -0.615 25800 9400 1 19 . 1 1 75 75 LYS N N 75 121.400 121.400 121.239 0.161 25800 9401 1 19 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.470 0.000 25800 9402 1 19 . 1 1 75 75 LYS C C 75 176.900 176.900 174.485 2.415 25800 9403 1 19 . 1 1 75 75 LYS CA C 75 55.300 55.300 55.811 -0.511 25800 9404 1 19 . 1 1 75 75 LYS CB C 75 31.900 31.900 32.607 -0.707 25800 9405 1 19 . 1 1 75 75 LYS H H 75 8.380 8.380 8.490 -0.110 25800 9406 1 19 . 1 1 76 76 LEU N N 76 127.400 127.400 123.321 4.079 25800 9407 1 19 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.665 -0.235 25800 9408 1 19 . 1 1 76 76 LEU C C 76 177.600 177.600 174.228 3.372 25800 9409 1 19 . 1 1 76 76 LEU CA C 76 55.300 55.300 54.778 0.522 25800 9410 1 19 . 1 1 76 76 LEU CB C 76 43.100 43.100 45.512 -2.412 25800 9411 1 19 . 1 1 76 76 LEU H H 76 8.950 8.950 8.195 0.755 25800 9412 1 19 . 1 1 77 77 ARG N N 77 121.800 121.800 125.846 -4.046 25800 9413 1 19 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.902 -0.002 25800 9414 1 19 . 1 1 77 77 ARG C C 77 174.700 174.700 173.698 1.002 25800 9415 1 19 . 1 1 77 77 ARG CA C 77 54.000 54.000 54.989 -0.989 25800 9416 1 19 . 1 1 77 77 ARG CB C 77 32.300 32.300 33.094 -0.794 25800 9417 1 19 . 1 1 77 77 ARG H H 77 7.530 7.530 8.603 -1.073 25800 9418 1 19 . 1 1 78 78 VAL N N 78 127.000 127.000 124.451 2.549 25800 9419 1 19 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.919 0.361 25800 9420 1 19 . 1 1 78 78 VAL C C 78 174.200 174.200 174.530 -0.330 25800 9421 1 19 . 1 1 78 78 VAL CA C 78 61.200 61.200 60.948 0.252 25800 9422 1 19 . 1 1 78 78 VAL CB C 78 33.400 33.400 35.191 -1.791 25800 9423 1 19 . 1 1 78 78 VAL H H 78 9.660 9.660 8.468 1.192 25800 9424 1 19 . 1 1 79 79 GLU N N 79 121.900 121.900 126.430 -4.530 25800 9425 1 19 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.545 0.165 25800 9426 1 19 . 1 1 79 79 GLU C C 79 174.600 174.600 174.063 0.537 25800 9427 1 19 . 1 1 79 79 GLU CA C 79 53.900 53.900 55.009 -1.109 25800 9428 1 19 . 1 1 79 79 GLU CB C 79 34.400 34.400 34.119 0.281 25800 9429 1 19 . 1 1 79 79 GLU H H 79 8.980 8.980 8.118 0.862 25800 9430 1 19 . 1 1 80 80 VAL N N 80 121.300 121.300 120.156 1.144 25800 9431 1 19 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.317 0.053 25800 9432 1 19 . 1 1 80 80 VAL CA C 80 61.000 61.000 59.846 1.154 25800 9433 1 19 . 1 1 80 80 VAL CB C 80 32.100 32.100 31.863 0.237 25800 9434 1 19 . 1 1 80 80 VAL H H 80 8.410 8.410 8.280 0.130 25800 9435 1 19 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.074 0.186 25800 9436 1 19 . 1 1 81 81 PRO C C 81 176.100 176.100 176.234 -0.134 25800 9437 1 19 . 1 1 81 81 PRO CA C 81 63.100 63.100 64.451 -1.351 25800 9438 1 19 . 1 1 81 81 PRO CB C 81 32.100 32.100 31.811 0.289 25800 9439 1 19 . 1 1 82 82 PHE N N 82 122.200 122.200 114.006 8.194 25800 9440 1 19 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.391 -0.101 25800 9441 1 19 . 1 1 82 82 PHE C C 82 175.300 175.300 174.990 0.310 25800 9442 1 19 . 1 1 82 82 PHE CA C 82 58.100 58.100 56.583 1.517 25800 9443 1 19 . 1 1 82 82 PHE CB C 82 39.400 39.400 38.300 1.100 25800 9444 1 19 . 1 1 82 82 PHE H H 82 8.150 8.150 7.087 1.063 25800 9445 1 19 . 1 1 83 83 ASN N N 83 120.800 120.800 117.048 3.752 25800 9446 1 19 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.374 0.066 25800 9447 1 19 . 1 1 83 83 ASN C C 83 174.100 174.100 174.217 -0.117 25800 9448 1 19 . 1 1 83 83 ASN CA C 83 52.700 52.700 53.917 -1.217 25800 9449 1 19 . 1 1 83 83 ASN CB C 83 38.700 38.700 39.345 -0.645 25800 9450 1 19 . 1 1 83 83 ASN H H 83 8.110 8.110 8.136 -0.026 25800 9451 1 19 . 1 1 84 84 ALA N N 84 123.700 123.700 127.781 -4.081 25800 9452 1 19 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.511 -0.431 25800 9453 1 19 . 1 1 84 84 ALA C C 84 177.100 177.100 176.372 0.728 25800 9454 1 19 . 1 1 84 84 ALA CA C 84 52.400 52.400 52.304 0.096 25800 9455 1 19 . 1 1 84 84 ALA CB C 84 19.100 19.100 19.910 -0.810 25800 9456 1 19 . 1 1 84 84 ALA H H 84 8.020 8.020 8.228 -0.208 25800 9457 1 19 . 1 1 85 85 ARG N N 85 120.200 120.200 120.905 -0.705 25800 9458 1 19 . 1 1 85 85 ARG HA H 85 4.150 4.150 4.404 -0.254 25800 9459 1 19 . 1 1 85 85 ARG C C 85 175.200 175.200 176.088 -0.888 25800 9460 1 19 . 1 1 85 85 ARG CA C 85 56.000 56.000 56.149 -0.149 25800 9461 1 19 . 1 1 85 85 ARG CB C 85 30.800 30.800 30.530 0.270 25800 9462 1 19 . 1 1 85 85 ARG H H 85 8.040 8.040 8.429 -0.389 25800 9463 1 20 . 1 1 0 0 HIS HA H 0 4.590 4.590 4.754 -0.164 25800 9464 1 20 . 1 1 0 0 HIS C C 0 174.000 174.000 173.892 0.108 25800 9465 1 20 . 1 1 0 0 HIS CA C 0 55.300 55.300 55.507 -0.207 25800 9466 1 20 . 1 1 0 0 HIS CB C 0 29.300 29.300 30.265 -0.965 25800 9467 1 20 . 1 1 1 1 MET N N 1 122.400 122.400 118.451 3.949 25800 9468 1 20 . 1 1 1 1 MET HA H 1 4.340 4.340 4.122 0.218 25800 9469 1 20 . 1 1 1 1 MET C C 1 175.600 175.600 175.895 -0.295 25800 9470 1 20 . 1 1 1 1 MET CA C 1 55.600 55.600 56.060 -0.460 25800 9471 1 20 . 1 1 1 1 MET CB C 1 32.800 32.800 32.643 0.157 25800 9472 1 20 . 1 1 1 1 MET H H 1 8.310 8.310 7.981 0.329 25800 9473 1 20 . 1 1 2 2 VAL N N 2 123.200 123.200 119.837 3.363 25800 9474 1 20 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.280 -0.320 25800 9475 1 20 . 1 1 2 2 VAL C C 2 175.600 175.600 175.322 0.278 25800 9476 1 20 . 1 1 2 2 VAL CA C 2 62.300 62.300 61.993 0.307 25800 9477 1 20 . 1 1 2 2 VAL CB C 2 32.300 32.300 32.991 -0.691 25800 9478 1 20 . 1 1 2 2 VAL H H 2 8.180 8.180 8.569 -0.389 25800 9479 1 20 . 1 1 3 3 ILE N N 3 126.200 126.200 121.120 5.080 25800 9480 1 20 . 1 1 3 3 ILE HA H 3 4.050 4.050 4.062 -0.012 25800 9481 1 20 . 1 1 3 3 ILE C C 3 175.800 175.800 176.281 -0.481 25800 9482 1 20 . 1 1 3 3 ILE CA C 3 60.700 60.700 62.001 -1.301 25800 9483 1 20 . 1 1 3 3 ILE CB C 3 38.300 38.300 38.137 0.163 25800 9484 1 20 . 1 1 3 3 ILE H H 3 8.230 8.230 8.011 0.219 25800 9485 1 20 . 1 1 4 4 ARG N N 4 126.100 126.100 124.578 1.522 25800 9486 1 20 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.366 -0.186 25800 9487 1 20 . 1 1 4 4 ARG C C 4 175.900 175.900 176.093 -0.193 25800 9488 1 20 . 1 1 4 4 ARG CA C 4 56.000 56.000 56.348 -0.348 25800 9489 1 20 . 1 1 4 4 ARG CB C 4 30.700 30.700 30.939 -0.238 25800 9490 1 20 . 1 1 4 4 ARG H H 4 8.360 8.360 8.528 -0.168 25800 9491 1 20 . 1 1 5 5 GLU N N 5 122.200 122.200 120.945 1.255 25800 9492 1 20 . 1 1 5 5 GLU HA H 5 4.140 4.140 4.580 -0.440 25800 9493 1 20 . 1 1 5 5 GLU C C 5 176.100 176.100 175.497 0.603 25800 9494 1 20 . 1 1 5 5 GLU CA C 5 56.600 56.600 56.253 0.347 25800 9495 1 20 . 1 1 5 5 GLU CB C 5 30.300 30.300 29.677 0.623 25800 9496 1 20 . 1 1 5 5 GLU H H 5 8.400 8.400 8.119 0.281 25800 9497 1 20 . 1 1 6 6 SER N N 6 116.200 116.200 119.695 -3.495 25800 9498 1 20 . 1 1 6 6 SER HA H 6 4.350 4.350 4.621 -0.271 25800 9499 1 20 . 1 1 6 6 SER C C 6 174.300 174.300 172.514 1.786 25800 9500 1 20 . 1 1 6 6 SER CA C 6 58.200 58.200 57.819 0.381 25800 9501 1 20 . 1 1 6 6 SER CB C 6 63.800 63.800 64.049 -0.249 25800 9502 1 20 . 1 1 6 6 SER H H 6 8.270 8.270 8.346 -0.076 25800 9503 1 20 . 1 1 7 7 VAL N N 7 119.800 119.800 119.056 0.744 25800 9504 1 20 . 1 1 7 7 VAL HA H 7 4.300 4.300 4.531 -0.231 25800 9505 1 20 . 1 1 7 7 VAL C C 7 175.500 175.500 174.315 1.185 25800 9506 1 20 . 1 1 7 7 VAL CA C 7 61.700 61.700 61.260 0.440 25800 9507 1 20 . 1 1 7 7 VAL CB C 7 32.800 32.800 34.817 -2.017 25800 9508 1 20 . 1 1 7 7 VAL H H 7 7.840 7.840 8.239 -0.399 25800 9509 1 20 . 1 1 8 8 SER N N 8 117.800 117.800 119.678 -1.878 25800 9510 1 20 . 1 1 8 8 SER HA H 8 4.240 4.240 4.655 -0.415 25800 9511 1 20 . 1 1 8 8 SER C C 8 172.500 172.500 174.188 -1.688 25800 9512 1 20 . 1 1 8 8 SER CA C 8 58.500 58.500 57.805 0.695 25800 9513 1 20 . 1 1 8 8 SER CB C 8 63.600 63.600 63.824 -0.224 25800 9514 1 20 . 1 1 8 8 SER H H 8 8.530 8.530 8.623 -0.093 25800 9515 1 20 . 1 1 9 9 ARG N N 9 123.000 123.000 120.245 2.755 25800 9516 1 20 . 1 1 9 9 ARG HA H 9 5.500 5.500 5.256 0.244 25800 9517 1 20 . 1 1 9 9 ARG C C 9 175.000 175.000 175.462 -0.462 25800 9518 1 20 . 1 1 9 9 ARG CA C 9 54.300 54.300 55.341 -1.041 25800 9519 1 20 . 1 1 9 9 ARG CB C 9 33.400 33.400 34.477 -1.077 25800 9520 1 20 . 1 1 9 9 ARG H H 9 7.350 7.350 8.470 -1.120 25800 9521 1 20 . 1 1 10 10 ILE N N 10 114.000 114.000 119.445 -5.445 25800 9522 1 20 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.387 0.433 25800 9523 1 20 . 1 1 10 10 ILE C C 10 173.000 173.000 174.299 -1.299 25800 9524 1 20 . 1 1 10 10 ILE CA C 10 59.400 59.400 60.298 -0.898 25800 9525 1 20 . 1 1 10 10 ILE CB C 10 40.900 40.900 40.014 0.886 25800 9526 1 20 . 1 1 10 10 ILE H H 10 8.830 8.830 8.816 0.014 25800 9527 1 20 . 1 1 11 11 TYR N N 11 123.400 123.400 129.671 -6.271 25800 9528 1 20 . 1 1 11 11 TYR HA H 11 4.930 4.930 4.647 0.283 25800 9529 1 20 . 1 1 11 11 TYR C C 11 173.000 173.000 173.662 -0.662 25800 9530 1 20 . 1 1 11 11 TYR CA C 11 56.000 56.000 57.087 -1.087 25800 9531 1 20 . 1 1 11 11 TYR CB C 11 40.900 40.900 39.517 1.383 25800 9532 1 20 . 1 1 11 11 TYR H H 11 8.690 8.690 8.640 0.050 25800 9533 1 20 . 1 1 12 12 VAL N N 12 126.300 126.300 128.998 -2.698 25800 9534 1 20 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.706 -0.146 25800 9535 1 20 . 1 1 12 12 VAL C C 12 174.100 174.100 173.307 0.793 25800 9536 1 20 . 1 1 12 12 VAL CA C 12 60.200 60.200 59.608 0.592 25800 9537 1 20 . 1 1 12 12 VAL CB C 12 33.400 33.400 35.666 -2.265 25800 9538 1 20 . 1 1 12 12 VAL H H 12 8.370 8.370 7.631 0.739 25800 9539 1 20 . 1 1 13 13 GLY N N 13 113.000 113.000 113.547 -0.547 25800 9540 1 20 . 1 1 13 13 GLY C C 13 173.100 173.100 172.586 0.514 25800 9541 1 20 . 1 1 13 13 GLY CA C 13 43.300 43.300 43.156 0.144 25800 9542 1 20 . 1 1 13 13 GLY H H 13 9.350 9.350 8.674 0.676 25800 9543 1 20 . 1 1 14 14 ASN N N 14 113.900 113.900 114.503 -0.603 25800 9544 1 20 . 1 1 14 14 ASN HA H 14 4.280 4.280 3.984 0.296 25800 9545 1 20 . 1 1 14 14 ASN C C 14 175.800 175.800 174.653 1.147 25800 9546 1 20 . 1 1 14 14 ASN CA C 14 53.600 53.600 53.904 -0.304 25800 9547 1 20 . 1 1 14 14 ASN CB C 14 37.700 37.700 37.206 0.494 25800 9548 1 20 . 1 1 14 14 ASN H H 14 8.800 8.800 7.559 1.241 25800 9549 1 20 . 1 1 15 15 LEU N N 15 115.800 115.800 115.344 0.456 25800 9550 1 20 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.610 0.380 25800 9551 1 20 . 1 1 15 15 LEU CA C 15 55.600 55.600 53.754 1.846 25800 9552 1 20 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.606 -0.006 25800 9553 1 20 . 1 1 15 15 LEU H H 15 7.150 7.150 7.078 0.072 25800 9554 1 20 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.511 -0.441 25800 9555 1 20 . 1 1 16 16 PRO C C 16 171.500 171.500 176.435 -4.935 25800 9556 1 20 . 1 1 16 16 PRO CA C 16 62.500 62.500 63.000 -0.500 25800 9557 1 20 . 1 1 16 16 PRO CB C 16 32.000 32.000 31.779 0.221 25800 9558 1 20 . 1 1 17 17 SER N N 17 115.200 115.200 116.298 -1.098 25800 9559 1 20 . 1 1 17 17 SER HA H 17 4.300 4.300 4.074 0.226 25800 9560 1 20 . 1 1 17 17 SER C C 17 174.200 174.200 174.277 -0.077 25800 9561 1 20 . 1 1 17 17 SER CA C 17 58.200 58.200 60.015 -1.815 25800 9562 1 20 . 1 1 17 17 SER CB C 17 63.900 63.900 62.727 1.173 25800 9563 1 20 . 1 1 17 17 SER H H 17 8.470 8.470 8.802 -0.332 25800 9564 1 20 . 1 1 18 18 HIS N N 18 120.800 120.800 120.313 0.487 25800 9565 1 20 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.748 -0.198 25800 9566 1 20 . 1 1 18 18 HIS C C 18 175.100 175.100 173.494 1.606 25800 9567 1 20 . 1 1 18 18 HIS CA C 18 55.500 55.500 55.286 0.214 25800 9568 1 20 . 1 1 18 18 HIS CB C 18 29.300 29.300 31.024 -1.724 25800 9569 1 20 . 1 1 18 18 HIS H H 18 8.540 8.540 8.102 0.438 25800 9570 1 20 . 1 1 19 19 VAL N N 19 115.700 115.700 123.273 -7.573 25800 9571 1 20 . 1 1 19 19 VAL HA H 19 4.260 4.260 4.261 -0.001 25800 9572 1 20 . 1 1 19 19 VAL C C 19 174.000 174.000 175.394 -1.394 25800 9573 1 20 . 1 1 19 19 VAL CA C 19 61.900 61.900 61.906 -0.006 25800 9574 1 20 . 1 1 19 19 VAL CB C 19 32.600 32.600 32.964 -0.364 25800 9575 1 20 . 1 1 19 19 VAL H H 19 6.650 6.650 7.934 -1.284 25800 9576 1 20 . 1 1 20 20 SER N N 20 118.800 118.800 121.232 -2.432 25800 9577 1 20 . 1 1 20 20 SER HA H 20 4.710 4.710 4.626 0.084 25800 9578 1 20 . 1 1 20 20 SER C C 20 175.900 175.900 175.739 0.161 25800 9579 1 20 . 1 1 20 20 SER CA C 20 55.800 55.800 57.953 -2.153 25800 9580 1 20 . 1 1 20 20 SER CB C 20 66.600 66.600 64.254 2.346 25800 9581 1 20 . 1 1 20 20 SER H H 20 8.930 8.930 8.538 0.392 25800 9582 1 20 . 1 1 21 21 SER N N 21 117.100 117.100 122.605 -5.505 25800 9583 1 20 . 1 1 21 21 SER HA H 21 3.880 3.880 4.150 -0.270 25800 9584 1 20 . 1 1 21 21 SER C C 21 176.200 176.200 176.456 -0.256 25800 9585 1 20 . 1 1 21 21 SER CA C 21 62.300 62.300 61.039 1.261 25800 9586 1 20 . 1 1 21 21 SER CB C 21 66.800 66.800 63.309 3.490 25800 9587 1 20 . 1 1 21 21 SER H H 21 9.080 9.080 9.097 -0.017 25800 9588 1 20 . 1 1 22 22 ARG N N 22 121.200 121.200 120.799 0.401 25800 9589 1 20 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.172 -0.182 25800 9590 1 20 . 1 1 22 22 ARG C C 22 177.900 177.900 178.276 -0.376 25800 9591 1 20 . 1 1 22 22 ARG CA C 22 58.700 58.700 59.013 -0.313 25800 9592 1 20 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.872 -0.272 25800 9593 1 20 . 1 1 22 22 ARG H H 22 7.940 7.940 8.384 -0.444 25800 9594 1 20 . 1 1 23 23 ASP N N 23 118.800 118.800 120.211 -1.411 25800 9595 1 20 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.528 -0.138 25800 9596 1 20 . 1 1 23 23 ASP C C 23 179.200 179.200 178.399 0.801 25800 9597 1 20 . 1 1 23 23 ASP CA C 23 57.300 57.300 56.888 0.412 25800 9598 1 20 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.425 0.575 25800 9599 1 20 . 1 1 23 23 ASP H H 23 7.480 7.480 7.787 -0.307 25800 9600 1 20 . 1 1 24 24 VAL N N 24 119.500 119.500 119.139 0.361 25800 9601 1 20 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.567 -0.197 25800 9602 1 20 . 1 1 24 24 VAL C C 24 177.500 177.500 177.404 0.096 25800 9603 1 20 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.127 0.773 25800 9604 1 20 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.467 -0.067 25800 9605 1 20 . 1 1 24 24 VAL H H 24 7.450 7.450 7.477 -0.027 25800 9606 1 20 . 1 1 25 25 GLU N N 25 121.400 121.400 121.618 -0.218 25800 9607 1 20 . 1 1 25 25 GLU HA H 25 3.570 3.570 3.906 -0.336 25800 9608 1 20 . 1 1 25 25 GLU C C 25 178.400 178.400 178.190 0.210 25800 9609 1 20 . 1 1 25 25 GLU CA C 25 60.600 60.600 60.270 0.330 25800 9610 1 20 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.545 0.055 25800 9611 1 20 . 1 1 25 25 GLU H H 25 8.580 8.580 8.243 0.337 25800 9612 1 20 . 1 1 26 26 ASN N N 26 114.800 114.800 117.166 -2.366 25800 9613 1 20 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.459 -0.139 25800 9614 1 20 . 1 1 26 26 ASN C C 26 177.400 177.400 177.421 -0.021 25800 9615 1 20 . 1 1 26 26 ASN CA C 26 55.900 55.900 55.792 0.108 25800 9616 1 20 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.559 -0.659 25800 9617 1 20 . 1 1 26 26 ASN H H 26 8.180 8.180 7.998 0.182 25800 9618 1 20 . 1 1 27 27 GLU N N 27 118.900 118.900 119.660 -0.760 25800 9619 1 20 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.124 0.016 25800 9620 1 20 . 1 1 27 27 GLU C C 27 176.400 176.400 179.153 -2.753 25800 9621 1 20 . 1 1 27 27 GLU CA C 27 57.400 57.400 58.788 -1.388 25800 9622 1 20 . 1 1 27 27 GLU CB C 27 29.400 29.400 29.513 -0.113 25800 9623 1 20 . 1 1 27 27 GLU H H 27 7.340 7.340 7.425 -0.085 25800 9624 1 20 . 1 1 28 28 PHE N N 28 114.100 114.100 119.007 -4.907 25800 9625 1 20 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.681 -0.131 25800 9626 1 20 . 1 1 28 28 PHE C C 28 176.300 176.300 178.210 -1.910 25800 9627 1 20 . 1 1 28 28 PHE CA C 28 60.000 60.000 60.446 -0.446 25800 9628 1 20 . 1 1 28 28 PHE CB C 28 40.800 40.800 38.864 1.936 25800 9629 1 20 . 1 1 28 28 PHE H H 28 7.660 7.660 8.049 -0.389 25800 9630 1 20 . 1 1 29 29 ARG N N 29 121.700 121.700 118.693 3.007 25800 9631 1 20 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.565 -0.155 25800 9632 1 20 . 1 1 29 29 ARG C C 29 177.100 177.100 177.767 -0.667 25800 9633 1 20 . 1 1 29 29 ARG CA C 29 58.200 58.200 58.722 -0.522 25800 9634 1 20 . 1 1 29 29 ARG CB C 29 29.300 29.300 29.772 -0.472 25800 9635 1 20 . 1 1 29 29 ARG H H 29 8.120 8.120 8.623 -0.503 25800 9636 1 20 . 1 1 30 30 LYS N N 30 117.200 117.200 118.985 -1.785 25800 9637 1 20 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.185 -0.355 25800 9638 1 20 . 1 1 30 30 LYS C C 30 177.100 177.100 178.054 -0.954 25800 9639 1 20 . 1 1 30 30 LYS CA C 30 57.800 57.800 58.141 -0.341 25800 9640 1 20 . 1 1 30 30 LYS CB C 30 31.100 31.100 31.952 -0.852 25800 9641 1 20 . 1 1 30 30 LYS H H 30 7.630 7.630 8.009 -0.379 25800 9642 1 20 . 1 1 31 31 TYR N N 31 117.100 117.100 118.552 -1.452 25800 9643 1 20 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.359 -0.209 25800 9644 1 20 . 1 1 31 31 TYR C C 31 174.400 174.400 175.651 -1.251 25800 9645 1 20 . 1 1 31 31 TYR CA C 31 59.900 59.900 59.478 0.422 25800 9646 1 20 . 1 1 31 31 TYR CB C 31 37.900 37.900 39.334 -1.434 25800 9647 1 20 . 1 1 31 31 TYR H H 31 7.410 7.410 8.096 -0.686 25800 9648 1 20 . 1 1 32 32 GLY N N 32 104.100 104.100 104.837 -0.737 25800 9649 1 20 . 1 1 32 32 GLY C C 32 177.000 177.000 172.999 4.001 25800 9650 1 20 . 1 1 32 32 GLY CA C 32 44.500 44.500 44.487 0.013 25800 9651 1 20 . 1 1 32 32 GLY H H 32 7.240 7.240 7.306 -0.066 25800 9652 1 20 . 1 1 33 33 ASN N N 33 115.300 115.300 119.457 -4.157 25800 9653 1 20 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.886 -0.446 25800 9654 1 20 . 1 1 33 33 ASN C C 33 175.500 175.500 174.770 0.730 25800 9655 1 20 . 1 1 33 33 ASN CA C 33 54.300 54.300 53.582 0.718 25800 9656 1 20 . 1 1 33 33 ASN CB C 33 38.400 38.400 39.480 -1.081 25800 9657 1 20 . 1 1 33 33 ASN H H 33 8.460 8.460 8.572 -0.112 25800 9658 1 20 . 1 1 34 34 ILE N N 34 126.700 126.700 125.480 1.220 25800 9659 1 20 . 1 1 34 34 ILE HA H 34 3.790 3.790 4.720 -0.930 25800 9660 1 20 . 1 1 34 34 ILE C C 34 175.600 175.600 175.465 0.135 25800 9661 1 20 . 1 1 34 34 ILE CA C 34 61.300 61.300 59.834 1.466 25800 9662 1 20 . 1 1 34 34 ILE CB C 34 40.000 40.000 39.265 0.735 25800 9663 1 20 . 1 1 34 34 ILE H H 34 8.050 8.050 8.490 -0.440 25800 9664 1 20 . 1 1 35 35 LEU N N 35 127.400 127.400 129.426 -2.026 25800 9665 1 20 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.358 -0.198 25800 9666 1 20 . 1 1 35 35 LEU C C 35 177.200 177.200 176.668 0.532 25800 9667 1 20 . 1 1 35 35 LEU CA C 35 55.500 55.500 56.541 -1.042 25800 9668 1 20 . 1 1 35 35 LEU CB C 35 42.700 42.700 42.096 0.604 25800 9669 1 20 . 1 1 35 35 LEU H H 35 8.780 8.780 9.189 -0.409 25800 9670 1 20 . 1 1 36 36 LYS N N 36 117.000 117.000 114.339 2.661 25800 9671 1 20 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.492 -0.252 25800 9672 1 20 . 1 1 36 36 LYS C C 36 173.600 173.600 174.017 -0.417 25800 9673 1 20 . 1 1 36 36 LYS CA C 36 55.900 55.900 55.876 0.024 25800 9674 1 20 . 1 1 36 36 LYS CB C 36 36.600 36.600 34.813 1.787 25800 9675 1 20 . 1 1 36 36 LYS H H 36 7.110 7.110 7.459 -0.349 25800 9676 1 20 . 1 1 37 37 CYS N N 37 125.400 125.400 120.581 4.819 25800 9677 1 20 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.389 -0.689 25800 9678 1 20 . 1 1 37 37 CYS C C 37 171.600 171.600 173.192 -1.592 25800 9679 1 20 . 1 1 37 37 CYS CA C 37 57.900 57.900 57.411 0.489 25800 9680 1 20 . 1 1 37 37 CYS CB C 37 27.100 27.100 30.257 -3.157 25800 9681 1 20 . 1 1 37 37 CYS H H 37 8.610 8.610 8.589 0.021 25800 9682 1 20 . 1 1 38 38 ASP N N 38 128.200 128.200 124.661 3.539 25800 9683 1 20 . 1 1 38 38 ASP HA H 38 4.950 4.950 4.928 0.022 25800 9684 1 20 . 1 1 38 38 ASP C C 38 174.300 174.300 173.559 0.741 25800 9685 1 20 . 1 1 38 38 ASP CA C 38 53.200 53.200 53.751 -0.551 25800 9686 1 20 . 1 1 38 38 ASP CB C 38 44.300 44.300 45.098 -0.798 25800 9687 1 20 . 1 1 38 38 ASP H H 38 8.290 8.290 8.659 -0.369 25800 9688 1 20 . 1 1 39 39 VAL N N 39 123.500 123.500 120.716 2.784 25800 9689 1 20 . 1 1 39 39 VAL HA H 39 4.300 4.300 4.944 -0.644 25800 9690 1 20 . 1 1 39 39 VAL C C 39 175.000 175.000 173.900 1.100 25800 9691 1 20 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.037 0.663 25800 9692 1 20 . 1 1 39 39 VAL CB C 39 33.100 33.100 35.503 -2.403 25800 9693 1 20 . 1 1 39 39 VAL H H 39 8.380 8.380 8.441 -0.061 25800 9694 1 20 . 1 1 40 40 LYS N N 40 129.100 129.100 127.485 1.615 25800 9695 1 20 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.885 -0.565 25800 9696 1 20 . 1 1 40 40 LYS C C 40 173.700 173.700 174.526 -0.826 25800 9697 1 20 . 1 1 40 40 LYS CA C 40 53.900 53.900 54.981 -1.081 25800 9698 1 20 . 1 1 40 40 LYS CB C 40 35.500 35.500 35.661 -0.161 25800 9699 1 20 . 1 1 40 40 LYS H H 40 8.680 8.680 9.281 -0.601 25800 9700 1 20 . 1 1 41 41 LYS N N 41 117.300 117.300 121.347 -4.047 25800 9701 1 20 . 1 1 41 41 LYS HA H 41 4.980 4.980 5.516 -0.536 25800 9702 1 20 . 1 1 41 41 LYS C C 41 177.800 177.800 175.498 2.302 25800 9703 1 20 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.678 -0.078 25800 9704 1 20 . 1 1 41 41 LYS CB C 41 35.000 35.000 35.899 -0.899 25800 9705 1 20 . 1 1 41 41 LYS H H 41 7.900 7.900 8.413 -0.513 25800 9706 1 20 . 1 1 42 42 THR N N 42 113.200 113.200 112.732 0.468 25800 9707 1 20 . 1 1 42 42 THR HA H 42 4.680 4.680 4.798 -0.118 25800 9708 1 20 . 1 1 42 42 THR C C 42 176.900 176.900 176.361 0.539 25800 9709 1 20 . 1 1 42 42 THR CA C 42 60.200 60.200 60.479 -0.279 25800 9710 1 20 . 1 1 42 42 THR CB C 42 71.600 71.600 70.301 1.299 25800 9711 1 20 . 1 1 42 42 THR H H 42 8.730 8.730 8.620 0.110 25800 9712 1 20 . 1 1 43 43 VAL N N 43 120.000 120.000 118.755 1.245 25800 9713 1 20 . 1 1 43 43 VAL HA H 43 3.920 3.920 4.037 -0.117 25800 9714 1 20 . 1 1 43 43 VAL C C 43 177.000 177.000 176.762 0.238 25800 9715 1 20 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.429 0.271 25800 9716 1 20 . 1 1 43 43 VAL CB C 43 31.800 31.800 31.673 0.127 25800 9717 1 20 . 1 1 43 43 VAL H H 43 8.730 8.730 8.506 0.224 25800 9718 1 20 . 1 1 44 44 SER N N 44 113.400 113.400 115.762 -2.362 25800 9719 1 20 . 1 1 44 44 SER HA H 44 4.360 4.360 4.401 -0.041 25800 9720 1 20 . 1 1 44 44 SER C C 44 174.800 174.800 175.446 -0.646 25800 9721 1 20 . 1 1 44 44 SER CA C 44 58.400 58.400 58.484 -0.084 25800 9722 1 20 . 1 1 44 44 SER CB C 44 63.500 63.500 63.356 0.144 25800 9723 1 20 . 1 1 44 44 SER H H 44 7.760 7.760 8.037 -0.277 25800 9724 1 20 . 1 1 45 45 GLY N N 45 110.200 110.200 108.791 1.409 25800 9725 1 20 . 1 1 45 45 GLY C C 45 173.500 173.500 174.103 -0.603 25800 9726 1 20 . 1 1 45 45 GLY CA C 45 45.300 45.300 45.049 0.251 25800 9727 1 20 . 1 1 45 45 GLY H H 45 7.820 7.820 7.771 0.049 25800 9728 1 20 . 1 1 46 46 ALA N N 46 123.900 123.900 122.526 1.374 25800 9729 1 20 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.464 -0.074 25800 9730 1 20 . 1 1 46 46 ALA C C 46 176.100 176.100 175.501 0.599 25800 9731 1 20 . 1 1 46 46 ALA CA C 46 51.900 51.900 51.774 0.126 25800 9732 1 20 . 1 1 46 46 ALA CB C 46 19.800 19.800 20.236 -0.436 25800 9733 1 20 . 1 1 46 46 ALA H H 46 7.440 7.440 7.500 -0.060 25800 9734 1 20 . 1 1 47 47 ALA N N 47 123.100 123.100 122.402 0.698 25800 9735 1 20 . 1 1 47 47 ALA HA H 47 5.200 5.200 5.260 -0.060 25800 9736 1 20 . 1 1 47 47 ALA C C 47 176.100 176.100 175.229 0.871 25800 9737 1 20 . 1 1 47 47 ALA CA C 47 50.900 50.900 50.860 0.040 25800 9738 1 20 . 1 1 47 47 ALA CB C 47 21.900 21.900 22.510 -0.610 25800 9739 1 20 . 1 1 47 47 ALA H H 47 8.350 8.350 7.785 0.565 25800 9740 1 20 . 1 1 48 48 PHE N N 48 118.700 118.700 118.834 -0.134 25800 9741 1 20 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.223 -0.193 25800 9742 1 20 . 1 1 48 48 PHE C C 48 171.600 171.600 173.969 -2.369 25800 9743 1 20 . 1 1 48 48 PHE CA C 48 55.700 55.700 57.213 -1.513 25800 9744 1 20 . 1 1 48 48 PHE CB C 48 41.200 41.200 43.756 -2.556 25800 9745 1 20 . 1 1 48 48 PHE H H 48 8.550 8.550 9.073 -0.523 25800 9746 1 20 . 1 1 49 49 ALA N N 49 120.400 120.400 124.740 -4.340 25800 9747 1 20 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.418 -0.088 25800 9748 1 20 . 1 1 49 49 ALA C C 49 175.500 175.500 175.471 0.029 25800 9749 1 20 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.181 -0.881 25800 9750 1 20 . 1 1 49 49 ALA CB C 49 23.700 23.700 22.104 1.596 25800 9751 1 20 . 1 1 49 49 ALA H H 49 9.240 9.240 9.209 0.031 25800 9752 1 20 . 1 1 50 50 PHE N N 50 115.000 115.000 120.654 -5.654 25800 9753 1 20 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.409 0.191 25800 9754 1 20 . 1 1 50 50 PHE C C 50 176.000 176.000 174.415 1.585 25800 9755 1 20 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.708 -0.208 25800 9756 1 20 . 1 1 50 50 PHE CB C 50 42.200 42.200 41.751 0.449 25800 9757 1 20 . 1 1 50 50 PHE H H 50 7.920 7.920 9.067 -1.147 25800 9758 1 20 . 1 1 51 51 ILE N N 51 123.000 123.000 122.243 0.757 25800 9759 1 20 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.670 -0.220 25800 9760 1 20 . 1 1 51 51 ILE C C 51 173.700 173.700 173.980 -0.280 25800 9761 1 20 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.412 -0.212 25800 9762 1 20 . 1 1 51 51 ILE CB C 51 40.700 40.700 42.291 -1.591 25800 9763 1 20 . 1 1 51 51 ILE H H 51 8.490 8.490 8.529 -0.039 25800 9764 1 20 . 1 1 52 52 GLU N N 52 126.600 126.600 125.882 0.718 25800 9765 1 20 . 1 1 52 52 GLU HA H 52 4.770 4.770 5.011 -0.241 25800 9766 1 20 . 1 1 52 52 GLU C C 52 175.300 175.300 175.094 0.206 25800 9767 1 20 . 1 1 52 52 GLU CA C 52 54.700 54.700 54.093 0.607 25800 9768 1 20 . 1 1 52 52 GLU CB C 52 31.500 31.500 32.157 -0.657 25800 9769 1 20 . 1 1 52 52 GLU H H 52 8.610 8.610 8.934 -0.324 25800 9770 1 20 . 1 1 53 53 PHE N N 53 126.100 126.100 126.163 -0.063 25800 9771 1 20 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.930 -0.130 25800 9772 1 20 . 1 1 53 53 PHE C C 53 175.400 175.400 176.532 -1.132 25800 9773 1 20 . 1 1 53 53 PHE CA C 53 58.200 58.200 56.963 1.237 25800 9774 1 20 . 1 1 53 53 PHE CB C 53 40.900 40.900 40.952 -0.052 25800 9775 1 20 . 1 1 53 53 PHE H H 53 8.800 8.800 8.764 0.036 25800 9776 1 20 . 1 1 54 54 GLU N N 54 120.700 120.700 121.570 -0.870 25800 9777 1 20 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.189 -0.259 25800 9778 1 20 . 1 1 54 54 GLU C C 54 175.300 175.300 175.749 -0.449 25800 9779 1 20 . 1 1 54 54 GLU CA C 54 59.100 59.100 59.115 -0.015 25800 9780 1 20 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.579 0.221 25800 9781 1 20 . 1 1 54 54 GLU H H 54 8.160 8.160 8.675 -0.515 25800 9782 1 20 . 1 1 55 55 ASP N N 55 117.900 117.900 118.682 -0.782 25800 9783 1 20 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.868 0.052 25800 9784 1 20 . 1 1 55 55 ASP C C 55 176.400 176.400 175.475 0.925 25800 9785 1 20 . 1 1 55 55 ASP CA C 55 52.400 52.400 53.344 -0.944 25800 9786 1 20 . 1 1 55 55 ASP CB C 55 44.400 44.400 42.440 1.960 25800 9787 1 20 . 1 1 55 55 ASP H H 55 8.740 8.740 8.065 0.675 25800 9788 1 20 . 1 1 56 56 ALA N N 56 128.900 128.900 127.907 0.993 25800 9789 1 20 . 1 1 56 56 ALA HA H 56 3.830 3.830 4.023 -0.193 25800 9790 1 20 . 1 1 56 56 ALA C C 56 179.800 179.800 178.405 1.395 25800 9791 1 20 . 1 1 56 56 ALA CA C 56 55.200 55.200 54.895 0.305 25800 9792 1 20 . 1 1 56 56 ALA CB C 56 18.900 18.900 19.214 -0.314 25800 9793 1 20 . 1 1 56 56 ALA H H 56 8.800 8.800 8.574 0.226 25800 9794 1 20 . 1 1 57 57 ARG N N 57 119.200 119.200 117.672 1.528 25800 9795 1 20 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.097 -0.207 25800 9796 1 20 . 1 1 57 57 ARG C C 57 178.000 178.000 177.670 0.330 25800 9797 1 20 . 1 1 57 57 ARG CA C 57 58.900 58.900 58.992 -0.092 25800 9798 1 20 . 1 1 57 57 ARG CB C 57 29.300 29.300 29.675 -0.375 25800 9799 1 20 . 1 1 57 57 ARG H H 57 8.950 8.950 8.098 0.852 25800 9800 1 20 . 1 1 58 58 ASP N N 58 120.900 120.900 117.624 3.276 25800 9801 1 20 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.500 -0.410 25800 9802 1 20 . 1 1 58 58 ASP C C 58 176.700 176.700 177.374 -0.674 25800 9803 1 20 . 1 1 58 58 ASP CA C 58 56.500 56.500 56.191 0.309 25800 9804 1 20 . 1 1 58 58 ASP CB C 58 39.900 39.900 40.788 -0.888 25800 9805 1 20 . 1 1 58 58 ASP H H 58 7.020 7.020 8.231 -1.211 25800 9806 1 20 . 1 1 59 59 ALA N N 59 119.700 119.700 121.600 -1.900 25800 9807 1 20 . 1 1 59 59 ALA HA H 59 3.080 3.080 3.915 -0.835 25800 9808 1 20 . 1 1 59 59 ALA C C 59 178.100 178.100 178.287 -0.187 25800 9809 1 20 . 1 1 59 59 ALA CA C 59 54.300 54.300 53.150 1.150 25800 9810 1 20 . 1 1 59 59 ALA CB C 59 18.400 18.400 17.694 0.706 25800 9811 1 20 . 1 1 59 59 ALA H H 59 6.440 6.440 7.843 -1.403 25800 9812 1 20 . 1 1 60 60 ALA N N 60 117.600 117.600 122.106 -4.506 25800 9813 1 20 . 1 1 60 60 ALA HA H 60 3.830 3.830 3.860 -0.030 25800 9814 1 20 . 1 1 60 60 ALA C C 60 180.900 180.900 178.851 2.049 25800 9815 1 20 . 1 1 60 60 ALA CA C 60 54.900 54.900 55.019 -0.119 25800 9816 1 20 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.242 -0.542 25800 9817 1 20 . 1 1 60 60 ALA H H 60 7.330 7.330 7.697 -0.367 25800 9818 1 20 . 1 1 61 61 ASP N N 61 120.100 120.100 118.519 1.581 25800 9819 1 20 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.367 -0.157 25800 9820 1 20 . 1 1 61 61 ASP C C 61 176.700 176.700 178.171 -1.471 25800 9821 1 20 . 1 1 61 61 ASP CA C 61 57.100 57.100 57.347 -0.248 25800 9822 1 20 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.379 -0.279 25800 9823 1 20 . 1 1 61 61 ASP H H 61 7.590 7.590 7.914 -0.324 25800 9824 1 20 . 1 1 62 62 ALA N N 62 122.200 122.200 122.941 -0.741 25800 9825 1 20 . 1 1 62 62 ALA HA H 62 2.420 2.420 3.739 -1.319 25800 9826 1 20 . 1 1 62 62 ALA C C 62 179.300 179.300 179.360 -0.060 25800 9827 1 20 . 1 1 62 62 ALA CA C 62 54.600 54.600 54.502 0.098 25800 9828 1 20 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.072 1.028 25800 9829 1 20 . 1 1 62 62 ALA H H 62 7.440 7.440 7.123 0.317 25800 9830 1 20 . 1 1 63 63 ILE N N 63 116.700 116.700 117.951 -1.251 25800 9831 1 20 . 1 1 63 63 ILE HA H 63 3.240 3.240 3.753 -0.513 25800 9832 1 20 . 1 1 63 63 ILE C C 63 177.800 177.800 177.257 0.543 25800 9833 1 20 . 1 1 63 63 ILE CA C 63 65.600 65.600 64.201 1.399 25800 9834 1 20 . 1 1 63 63 ILE CB C 63 38.900 38.900 37.517 1.383 25800 9835 1 20 . 1 1 63 63 ILE H H 63 7.540 7.540 7.642 -0.102 25800 9836 1 20 . 1 1 64 64 LYS N N 64 117.400 117.400 116.368 1.032 25800 9837 1 20 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.176 -0.276 25800 9838 1 20 . 1 1 64 64 LYS C C 64 178.900 178.900 179.439 -0.539 25800 9839 1 20 . 1 1 64 64 LYS CA C 64 58.800 58.800 57.897 0.903 25800 9840 1 20 . 1 1 64 64 LYS CB C 64 32.600 32.600 32.612 -0.012 25800 9841 1 20 . 1 1 64 64 LYS H H 64 7.490 7.490 8.071 -0.581 25800 9842 1 20 . 1 1 65 65 GLU N N 65 113.800 113.800 120.450 -6.650 25800 9843 1 20 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.308 -0.148 25800 9844 1 20 . 1 1 65 65 GLU C C 65 178.300 178.300 178.269 0.031 25800 9845 1 20 . 1 1 65 65 GLU CA C 65 58.300 58.300 58.559 -0.259 25800 9846 1 20 . 1 1 65 65 GLU CB C 65 30.700 30.700 29.278 1.422 25800 9847 1 20 . 1 1 65 65 GLU H H 65 7.960 7.960 8.200 -0.240 25800 9848 1 20 . 1 1 66 66 LYS N N 66 114.700 114.700 118.089 -3.389 25800 9849 1 20 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.389 0.081 25800 9850 1 20 . 1 1 66 66 LYS C C 66 177.500 177.500 176.470 1.030 25800 9851 1 20 . 1 1 66 66 LYS CA C 66 54.400 54.400 55.774 -1.374 25800 9852 1 20 . 1 1 66 66 LYS CB C 66 33.000 33.000 31.975 1.025 25800 9853 1 20 . 1 1 66 66 LYS H H 66 8.050 8.050 7.910 0.140 25800 9854 1 20 . 1 1 67 67 ASP N N 67 118.800 118.800 119.413 -0.613 25800 9855 1 20 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.495 -0.276 25800 9856 1 20 . 1 1 67 67 ASP C C 67 177.700 177.700 177.607 0.093 25800 9857 1 20 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.340 4.060 25800 9858 1 20 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.125 0.275 25800 9859 1 20 . 1 1 67 67 ASP H H 67 7.620 7.620 7.466 0.154 25800 9860 1 20 . 1 1 68 68 GLY N N 68 115.600 115.600 107.891 7.709 25800 9861 1 20 . 1 1 68 68 GLY C C 68 173.800 173.800 175.346 -1.546 25800 9862 1 20 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.894 1.006 25800 9863 1 20 . 1 1 68 68 GLY H H 68 8.470 8.470 8.593 -0.123 25800 9864 1 20 . 1 1 69 69 CYS N N 69 119.200 119.200 118.568 0.632 25800 9865 1 20 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.645 -0.485 25800 9866 1 20 . 1 1 69 69 CYS C C 69 172.600 172.600 174.558 -1.958 25800 9867 1 20 . 1 1 69 69 CYS CA C 69 58.000 58.000 57.779 0.222 25800 9868 1 20 . 1 1 69 69 CYS CB C 69 28.700 28.700 29.389 -0.689 25800 9869 1 20 . 1 1 69 69 CYS H H 69 7.890 7.890 8.407 -0.517 25800 9870 1 20 . 1 1 70 70 ASP N N 70 122.200 122.200 122.823 -0.623 25800 9871 1 20 . 1 1 70 70 ASP HA H 70 4.830 4.830 4.948 -0.118 25800 9872 1 20 . 1 1 70 70 ASP C C 70 176.400 176.400 174.506 1.894 25800 9873 1 20 . 1 1 70 70 ASP CA C 70 54.700 54.700 53.451 1.249 25800 9874 1 20 . 1 1 70 70 ASP CB C 70 42.700 42.700 44.559 -1.859 25800 9875 1 20 . 1 1 70 70 ASP H H 70 8.360 8.360 8.697 -0.337 25800 9876 1 20 . 1 1 71 71 PHE N N 71 127.600 127.600 120.886 6.714 25800 9877 1 20 . 1 1 71 71 PHE HA H 71 4.600 4.600 4.887 -0.287 25800 9878 1 20 . 1 1 71 71 PHE C C 71 173.600 173.600 175.243 -1.643 25800 9879 1 20 . 1 1 71 71 PHE CA C 71 56.800 56.800 57.151 -0.351 25800 9880 1 20 . 1 1 71 71 PHE CB C 71 40.700 40.700 41.133 -0.433 25800 9881 1 20 . 1 1 71 71 PHE H H 71 9.390 9.390 8.252 1.138 25800 9882 1 20 . 1 1 72 72 GLU N N 72 123.900 123.900 118.942 4.958 25800 9883 1 20 . 1 1 72 72 GLU HA H 72 3.540 3.540 3.684 -0.144 25800 9884 1 20 . 1 1 72 72 GLU C C 72 175.500 175.500 175.393 0.107 25800 9885 1 20 . 1 1 72 72 GLU CA C 72 56.700 56.700 56.797 -0.097 25800 9886 1 20 . 1 1 72 72 GLU CB C 72 27.300 27.300 28.549 -1.249 25800 9887 1 20 . 1 1 72 72 GLU H H 72 8.940 8.940 7.716 1.224 25800 9888 1 20 . 1 1 73 73 GLY N N 73 105.200 105.200 103.530 1.670 25800 9889 1 20 . 1 1 73 73 GLY C C 73 174.100 174.100 173.587 0.513 25800 9890 1 20 . 1 1 73 73 GLY CA C 73 45.600 45.600 44.899 0.701 25800 9891 1 20 . 1 1 73 73 GLY H H 73 8.350 8.350 7.924 0.426 25800 9892 1 20 . 1 1 74 74 ASN N N 74 121.000 121.000 120.614 0.386 25800 9893 1 20 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.898 -0.138 25800 9894 1 20 . 1 1 74 74 ASN C C 74 174.000 174.000 174.291 -0.291 25800 9895 1 20 . 1 1 74 74 ASN CA C 74 50.900 50.900 52.819 -1.919 25800 9896 1 20 . 1 1 74 74 ASN CB C 74 39.700 39.700 40.425 -0.725 25800 9897 1 20 . 1 1 74 74 ASN H H 74 7.740 7.740 7.798 -0.058 25800 9898 1 20 . 1 1 75 75 LYS N N 75 121.400 121.400 123.041 -1.641 25800 9899 1 20 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.606 -0.136 25800 9900 1 20 . 1 1 75 75 LYS C C 75 176.900 176.900 175.082 1.818 25800 9901 1 20 . 1 1 75 75 LYS CA C 75 55.300 55.300 55.344 -0.045 25800 9902 1 20 . 1 1 75 75 LYS CB C 75 31.900 31.900 31.307 0.593 25800 9903 1 20 . 1 1 75 75 LYS H H 75 8.380 8.380 8.636 -0.256 25800 9904 1 20 . 1 1 76 76 LEU N N 76 127.400 127.400 120.758 6.642 25800 9905 1 20 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.501 -0.071 25800 9906 1 20 . 1 1 76 76 LEU C C 76 177.600 177.600 174.380 3.220 25800 9907 1 20 . 1 1 76 76 LEU CA C 76 55.300 55.300 54.590 0.710 25800 9908 1 20 . 1 1 76 76 LEU CB C 76 43.100 43.100 45.263 -2.163 25800 9909 1 20 . 1 1 76 76 LEU H H 76 8.950 8.950 7.635 1.315 25800 9910 1 20 . 1 1 77 77 ARG N N 77 121.800 121.800 125.776 -3.976 25800 9911 1 20 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.862 0.038 25800 9912 1 20 . 1 1 77 77 ARG C C 77 174.700 174.700 173.548 1.152 25800 9913 1 20 . 1 1 77 77 ARG CA C 77 54.000 54.000 54.951 -0.951 25800 9914 1 20 . 1 1 77 77 ARG CB C 77 32.300 32.300 33.090 -0.790 25800 9915 1 20 . 1 1 77 77 ARG H H 77 7.530 7.530 8.364 -0.834 25800 9916 1 20 . 1 1 78 78 VAL N N 78 127.000 127.000 125.722 1.278 25800 9917 1 20 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.908 0.372 25800 9918 1 20 . 1 1 78 78 VAL C C 78 174.200 174.200 174.439 -0.239 25800 9919 1 20 . 1 1 78 78 VAL CA C 78 61.200 61.200 60.708 0.492 25800 9920 1 20 . 1 1 78 78 VAL CB C 78 33.400 33.400 36.085 -2.685 25800 9921 1 20 . 1 1 78 78 VAL H H 78 9.660 9.660 8.558 1.102 25800 9922 1 20 . 1 1 79 79 GLU N N 79 121.900 121.900 124.836 -2.936 25800 9923 1 20 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.567 0.143 25800 9924 1 20 . 1 1 79 79 GLU C C 79 174.600 174.600 175.120 -0.520 25800 9925 1 20 . 1 1 79 79 GLU CA C 79 53.900 53.900 54.811 -0.911 25800 9926 1 20 . 1 1 79 79 GLU CB C 79 34.400 34.400 32.282 2.118 25800 9927 1 20 . 1 1 79 79 GLU H H 79 8.980 8.980 8.078 0.902 25800 9928 1 20 . 1 1 80 80 VAL N N 80 121.300 121.300 120.402 0.898 25800 9929 1 20 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.012 0.358 25800 9930 1 20 . 1 1 80 80 VAL CA C 80 61.000 61.000 62.239 -1.239 25800 9931 1 20 . 1 1 80 80 VAL CB C 80 32.100 32.100 32.163 -0.062 25800 9932 1 20 . 1 1 80 80 VAL H H 80 8.410 8.410 8.390 0.020 25800 9933 1 20 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.594 -0.334 25800 9934 1 20 . 1 1 81 81 PRO C C 81 176.100 176.100 176.084 0.016 25800 9935 1 20 . 1 1 81 81 PRO CA C 81 63.100 63.100 63.137 -0.037 25800 9936 1 20 . 1 1 81 81 PRO CB C 81 32.100 32.100 29.743 2.357 25800 9937 1 20 . 1 1 82 82 PHE N N 82 122.200 122.200 116.099 6.101 25800 9938 1 20 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.020 0.270 25800 9939 1 20 . 1 1 82 82 PHE C C 82 175.300 175.300 174.393 0.907 25800 9940 1 20 . 1 1 82 82 PHE CA C 82 58.100 58.100 59.259 -1.159 25800 9941 1 20 . 1 1 82 82 PHE CB C 82 39.400 39.400 36.747 2.653 25800 9942 1 20 . 1 1 82 82 PHE H H 82 8.150 8.150 8.110 0.040 25800 9943 1 20 . 1 1 83 83 ASN N N 83 120.800 120.800 115.325 5.475 25800 9944 1 20 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.406 0.034 25800 9945 1 20 . 1 1 83 83 ASN C C 83 174.100 174.100 173.996 0.104 25800 9946 1 20 . 1 1 83 83 ASN CA C 83 52.700 52.700 53.702 -1.002 25800 9947 1 20 . 1 1 83 83 ASN CB C 83 38.700 38.700 38.049 0.651 25800 9948 1 20 . 1 1 83 83 ASN H H 83 8.110 8.110 8.332 -0.222 25800 9949 1 20 . 1 1 84 84 ALA N N 84 123.700 123.700 123.830 -0.130 25800 9950 1 20 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.471 -0.391 25800 9951 1 20 . 1 1 84 84 ALA C C 84 177.100 177.100 176.574 0.526 25800 9952 1 20 . 1 1 84 84 ALA CA C 84 52.400 52.400 51.170 1.230 25800 9953 1 20 . 1 1 84 84 ALA CB C 84 19.100 19.100 21.706 -2.606 25800 9954 1 20 . 1 1 84 84 ALA H H 84 8.020 8.020 8.007 0.013 25800 9955 1 20 . 1 1 85 85 ARG N N 85 120.200 120.200 118.816 1.384 25800 9956 1 20 . 1 1 85 85 ARG HA H 85 4.150 4.150 3.955 0.195 25800 9957 1 20 . 1 1 85 85 ARG C C 85 175.200 175.200 175.119 0.081 25800 9958 1 20 . 1 1 85 85 ARG CA C 85 56.000 56.000 57.508 -1.508 25800 9959 1 20 . 1 1 85 85 ARG CB C 85 30.800 30.800 28.823 1.977 25800 9960 1 20 . 1 1 85 85 ARG H H 85 8.040 8.040 8.527 -0.487 25800 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 83 3.481 -0.261 3.492 25800 2 1 1 "Average Difference" HA 91 0.391 0.138 0.368 25800 3 1 1 "Average Difference" C 84 1.363 -0.033 1.371 25800 4 1 1 "Average Difference" CA 86 1.145 -0.073 1.149 25800 5 1 1 "Average Difference" CB 81 1.389 0.151 1.390 25800 6 1 1 "Average Difference" HN 83 0.561 0.048 0.562 25800 7 1 2 "Average Difference" N 83 3.395 0.454 3.385 25800 8 1 2 "Average Difference" HA 91 0.440 0.170 0.408 25800 9 1 2 "Average Difference" C 84 1.356 -0.055 1.363 25800 10 1 2 "Average Difference" CA 86 1.099 -0.001 1.106 25800 11 1 2 "Average Difference" CB 81 1.226 0.211 1.215 25800 12 1 2 "Average Difference" HN 83 0.585 0.148 0.570 25800 13 1 3 "Average Difference" N 83 3.503 0.191 3.520 25800 14 1 3 "Average Difference" HA 91 0.455 0.139 0.435 25800 15 1 3 "Average Difference" C 84 1.280 0.042 1.287 25800 16 1 3 "Average Difference" CA 86 1.215 0.026 1.222 25800 17 1 3 "Average Difference" CB 81 1.419 0.017 1.428 25800 18 1 3 "Average Difference" HN 83 0.601 0.090 0.598 25800 19 1 4 "Average Difference" N 83 3.479 -0.088 3.499 25800 20 1 4 "Average Difference" HA 91 0.452 0.122 0.438 25800 21 1 4 "Average Difference" C 84 1.472 0.148 1.474 25800 22 1 4 "Average Difference" CA 86 1.259 0.072 1.264 25800 23 1 4 "Average Difference" CB 81 1.565 0.087 1.572 25800 24 1 4 "Average Difference" HN 83 0.581 0.074 0.579 25800 25 1 5 "Average Difference" N 83 3.256 0.170 3.271 25800 26 1 5 "Average Difference" HA 91 0.459 0.123 0.445 25800 27 1 5 "Average Difference" C 84 1.321 0.071 1.327 25800 28 1 5 "Average Difference" CA 86 1.079 -0.002 1.085 25800 29 1 5 "Average Difference" CB 81 1.370 0.190 1.365 25800 30 1 5 "Average Difference" HN 83 0.595 0.045 0.597 25800 31 1 6 "Average Difference" N 83 3.334 0.063 3.353 25800 32 1 6 "Average Difference" HA 91 0.447 0.142 0.427 25800 33 1 6 "Average Difference" C 84 1.339 0.009 1.347 25800 34 1 6 "Average Difference" CA 86 1.085 0.001 1.091 25800 35 1 6 "Average Difference" CB 81 1.331 0.010 1.339 25800 36 1 6 "Average Difference" HN 83 0.575 0.076 0.574 25800 37 1 7 "Average Difference" N 83 3.228 0.162 3.244 25800 38 1 7 "Average Difference" HA 91 0.389 0.164 0.355 25800 39 1 7 "Average Difference" C 84 1.348 -0.056 1.355 25800 40 1 7 "Average Difference" CA 86 1.145 -0.048 1.151 25800 41 1 7 "Average Difference" CB 81 1.346 0.216 1.337 25800 42 1 7 "Average Difference" HN 83 0.586 0.095 0.582 25800 43 1 8 "Average Difference" N 83 3.249 0.107 3.267 25800 44 1 8 "Average Difference" HA 91 0.471 0.150 0.449 25800 45 1 8 "Average Difference" C 84 1.464 -0.048 1.472 25800 46 1 8 "Average Difference" CA 86 1.195 -0.044 1.201 25800 47 1 8 "Average Difference" CB 81 1.577 0.161 1.579 25800 48 1 8 "Average Difference" HN 83 0.583 0.117 0.575 25800 49 1 9 "Average Difference" N 83 3.606 -0.076 3.627 25800 50 1 9 "Average Difference" HA 91 0.448 0.121 0.434 25800 51 1 9 "Average Difference" C 84 1.360 -0.044 1.368 25800 52 1 9 "Average Difference" CA 86 1.136 -0.020 1.142 25800 53 1 9 "Average Difference" CB 81 1.412 0.127 1.415 25800 54 1 9 "Average Difference" HN 83 0.580 0.098 0.575 25800 55 1 10 "Average Difference" N 83 3.235 0.232 3.246 25800 56 1 10 "Average Difference" HA 91 0.437 0.145 0.414 25800 57 1 10 "Average Difference" C 84 1.333 -0.021 1.340 25800 58 1 10 "Average Difference" CA 86 1.100 0.068 1.104 25800 59 1 10 "Average Difference" CB 81 1.408 0.127 1.411 25800 60 1 10 "Average Difference" HN 83 0.625 0.107 0.619 25800 61 1 11 "Average Difference" N 83 3.294 0.400 3.290 25800 62 1 11 "Average Difference" HA 91 0.457 0.138 0.438 25800 63 1 11 "Average Difference" C 84 1.396 0.090 1.402 25800 64 1 11 "Average Difference" CA 86 1.151 0.004 1.158 25800 65 1 11 "Average Difference" CB 81 1.258 0.029 1.265 25800 66 1 11 "Average Difference" HN 83 0.598 0.143 0.584 25800 67 1 12 "Average Difference" N 83 3.811 -0.019 3.834 25800 68 1 12 "Average Difference" HA 91 0.416 0.125 0.399 25800 69 1 12 "Average Difference" C 84 1.260 0.027 1.267 25800 70 1 12 "Average Difference" CA 86 1.123 -0.053 1.128 25800 71 1 12 "Average Difference" CB 81 1.254 0.016 1.262 25800 72 1 12 "Average Difference" HN 83 0.537 0.055 0.537 25800 73 1 13 "Average Difference" N 83 3.310 -0.034 3.330 25800 74 1 13 "Average Difference" HA 91 0.404 0.103 0.393 25800 75 1 13 "Average Difference" C 84 1.395 0.031 1.403 25800 76 1 13 "Average Difference" CA 86 1.143 0.062 1.148 25800 77 1 13 "Average Difference" CB 81 1.328 -0.018 1.336 25800 78 1 13 "Average Difference" HN 83 0.592 0.119 0.584 25800 79 1 14 "Average Difference" N 83 3.382 0.163 3.398 25800 80 1 14 "Average Difference" HA 91 0.447 0.150 0.424 25800 81 1 14 "Average Difference" C 84 1.402 0.062 1.409 25800 82 1 14 "Average Difference" CA 86 1.121 -0.036 1.127 25800 83 1 14 "Average Difference" CB 81 1.569 0.181 1.568 25800 84 1 14 "Average Difference" HN 83 0.583 0.080 0.581 25800 85 1 15 "Average Difference" N 83 3.120 0.680 3.063 25800 86 1 15 "Average Difference" HA 91 0.406 0.149 0.379 25800 87 1 15 "Average Difference" C 84 1.347 -0.066 1.353 25800 88 1 15 "Average Difference" CA 86 1.026 0.001 1.032 25800 89 1 15 "Average Difference" CB 81 1.235 0.105 1.238 25800 90 1 15 "Average Difference" HN 83 0.547 0.125 0.536 25800 91 1 16 "Average Difference" N 83 3.020 0.374 3.014 25800 92 1 16 "Average Difference" HA 91 0.394 0.162 0.362 25800 93 1 16 "Average Difference" C 84 1.317 -0.126 1.319 25800 94 1 16 "Average Difference" CA 86 1.031 -0.032 1.036 25800 95 1 16 "Average Difference" CB 81 1.345 0.268 1.327 25800 96 1 16 "Average Difference" HN 83 0.559 0.104 0.553 25800 97 1 17 "Average Difference" N 83 3.505 0.005 3.526 25800 98 1 17 "Average Difference" HA 91 0.443 0.131 0.425 25800 99 1 17 "Average Difference" C 84 1.401 0.093 1.406 25800 100 1 17 "Average Difference" CA 86 1.162 -0.015 1.169 25800 101 1 17 "Average Difference" CB 81 1.323 0.152 1.323 25800 102 1 17 "Average Difference" HN 83 0.590 0.101 0.585 25800 103 1 18 "Average Difference" N 83 3.372 0.211 3.386 25800 104 1 18 "Average Difference" HA 91 0.396 0.151 0.368 25800 105 1 18 "Average Difference" C 84 1.318 0.034 1.326 25800 106 1 18 "Average Difference" CA 86 1.056 0.001 1.062 25800 107 1 18 "Average Difference" CB 81 1.119 -0.020 1.126 25800 108 1 18 "Average Difference" HN 83 0.564 0.084 0.561 25800 109 1 19 "Average Difference" N 83 3.325 -0.004 3.345 25800 110 1 19 "Average Difference" HA 91 0.423 0.161 0.394 25800 111 1 19 "Average Difference" C 84 1.398 -0.025 1.406 25800 112 1 19 "Average Difference" CA 86 1.062 -0.022 1.068 25800 113 1 19 "Average Difference" CB 81 1.265 0.207 1.256 25800 114 1 19 "Average Difference" HN 83 0.591 0.077 0.589 25800 115 1 20 "Average Difference" N 83 3.168 0.061 3.186 25800 116 1 20 "Average Difference" HA 91 0.357 0.139 0.330 25800 117 1 20 "Average Difference" C 84 1.276 -0.030 1.283 25800 118 1 20 "Average Difference" CA 86 0.937 0.039 0.942 25800 119 1 20 "Average Difference" CB 81 1.321 0.064 1.328 25800 120 1 20 "Average Difference" HN 83 0.552 0.060 0.552 25800 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 25800 _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 0 0 HIS HA H 0 4.590 4.590 4.649 -0.059 25800 2 1 . 1 1 0 0 HIS C C 0 174.000 174.000 174.403 -0.403 25800 3 1 . 1 1 0 0 HIS CA C 0 55.300 55.300 56.266 -0.966 25800 4 1 . 1 1 0 0 HIS CB C 0 29.300 29.300 30.314 -1.014 25800 5 1 . 1 1 1 1 MET N N 1 122.400 122.400 120.375 2.025 25800 6 1 . 1 1 1 1 MET HA H 1 4.340 4.340 4.482 -0.142 25800 7 1 . 1 1 1 1 MET C C 1 175.600 175.600 175.137 0.463 25800 8 1 . 1 1 1 1 MET CA C 1 55.600 55.600 55.250 0.350 25800 9 1 . 1 1 1 1 MET CB C 1 32.800 32.800 33.556 -0.756 25800 10 1 . 1 1 1 1 MET H H 1 8.310 8.310 8.195 0.115 25800 11 1 . 1 1 2 2 VAL N N 2 123.200 123.200 121.423 1.777 25800 12 1 . 1 1 2 2 VAL HA H 2 3.960 3.960 4.274 -0.314 25800 13 1 . 1 1 2 2 VAL C C 2 175.600 175.600 175.218 0.382 25800 14 1 . 1 1 2 2 VAL CA C 2 62.300 62.300 62.415 -0.115 25800 15 1 . 1 1 2 2 VAL CB C 2 32.300 32.300 32.702 -0.402 25800 16 1 . 1 1 2 2 VAL H H 2 8.180 8.180 8.255 -0.075 25800 17 1 . 1 1 3 3 ILE N N 3 126.200 126.200 123.226 2.974 25800 18 1 . 1 1 3 3 ILE HA H 3 4.050 4.050 4.244 -0.194 25800 19 1 . 1 1 3 3 ILE C C 3 175.800 175.800 175.699 0.101 25800 20 1 . 1 1 3 3 ILE CA C 3 60.700 60.700 61.313 -0.613 25800 21 1 . 1 1 3 3 ILE CB C 3 38.300 38.300 38.902 -0.601 25800 22 1 . 1 1 3 3 ILE H H 3 8.230 8.230 8.168 0.062 25800 23 1 . 1 1 4 4 ARG N N 4 126.100 126.100 123.304 2.796 25800 24 1 . 1 1 4 4 ARG HA H 4 4.180 4.180 4.353 -0.173 25800 25 1 . 1 1 4 4 ARG C C 4 175.900 175.900 175.734 0.166 25800 26 1 . 1 1 4 4 ARG CA C 4 56.000 56.000 56.417 -0.417 25800 27 1 . 1 1 4 4 ARG CB C 4 30.700 30.700 30.796 -0.096 25800 28 1 . 1 1 4 4 ARG H H 4 8.360 8.360 8.371 -0.011 25800 29 1 . 1 1 5 5 GLU N N 5 122.200 122.200 119.529 2.671 25800 30 1 . 1 1 5 5 GLU HA H 5 4.140 4.140 4.255 -0.115 25800 31 1 . 1 1 5 5 GLU C C 5 176.100 176.100 175.428 0.672 25800 32 1 . 1 1 5 5 GLU CA C 5 56.600 56.600 56.528 0.072 25800 33 1 . 1 1 5 5 GLU CB C 5 30.300 30.300 29.944 0.356 25800 34 1 . 1 1 5 5 GLU H H 5 8.400 8.400 8.336 0.064 25800 35 1 . 1 1 6 6 SER N N 6 116.200 116.200 115.191 1.009 25800 36 1 . 1 1 6 6 SER HA H 6 4.350 4.350 4.402 -0.052 25800 37 1 . 1 1 6 6 SER C C 6 174.300 174.300 173.665 0.635 25800 38 1 . 1 1 6 6 SER CA C 6 58.200 58.200 58.383 -0.183 25800 39 1 . 1 1 6 6 SER CB C 6 63.800 63.800 63.961 -0.161 25800 40 1 . 1 1 6 6 SER H H 6 8.270 8.270 8.068 0.202 25800 41 1 . 1 1 7 7 VAL N N 7 119.800 119.800 121.751 -1.951 25800 42 1 . 1 1 7 7 VAL HA H 7 4.300 4.300 4.211 0.089 25800 43 1 . 1 1 7 7 VAL C C 7 175.500 175.500 175.095 0.405 25800 44 1 . 1 1 7 7 VAL CA C 7 61.700 61.700 61.994 -0.294 25800 45 1 . 1 1 7 7 VAL CB C 7 32.800 32.800 32.864 -0.064 25800 46 1 . 1 1 7 7 VAL H H 7 7.840 7.840 8.324 -0.484 25800 47 1 . 1 1 8 8 SER N N 8 117.800 117.800 120.682 -2.882 25800 48 1 . 1 1 8 8 SER HA H 8 4.240 4.240 4.578 -0.338 25800 49 1 . 1 1 8 8 SER C C 8 172.500 172.500 173.530 -1.030 25800 50 1 . 1 1 8 8 SER CA C 8 58.500 58.500 58.544 -0.044 25800 51 1 . 1 1 8 8 SER CB C 8 63.600 63.600 63.416 0.184 25800 52 1 . 1 1 8 8 SER H H 8 8.530 8.530 8.471 0.059 25800 53 1 . 1 1 9 9 ARG N N 9 123.000 123.000 123.695 -0.695 25800 54 1 . 1 1 9 9 ARG HA H 9 5.500 5.500 5.129 0.371 25800 55 1 . 1 1 9 9 ARG C C 9 175.000 175.000 175.136 -0.136 25800 56 1 . 1 1 9 9 ARG CA C 9 54.300 54.300 54.848 -0.548 25800 57 1 . 1 1 9 9 ARG CB C 9 33.400 33.400 33.461 -0.061 25800 58 1 . 1 1 9 9 ARG H H 9 7.350 7.350 8.296 -0.946 25800 59 1 . 1 1 10 10 ILE N N 10 114.000 114.000 121.487 -7.487 25800 60 1 . 1 1 10 10 ILE HA H 10 4.820 4.820 4.202 0.618 25800 61 1 . 1 1 10 10 ILE C C 10 173.000 173.000 174.420 -1.420 25800 62 1 . 1 1 10 10 ILE CA C 10 59.400 59.400 61.070 -1.670 25800 63 1 . 1 1 10 10 ILE CB C 10 40.900 40.900 39.493 1.407 25800 64 1 . 1 1 10 10 ILE H H 10 8.830 8.830 8.642 0.188 25800 65 1 . 1 1 11 11 TYR N N 11 123.400 123.400 127.236 -3.836 25800 66 1 . 1 1 11 11 TYR HA H 11 4.930 4.930 5.060 -0.130 25800 67 1 . 1 1 11 11 TYR C C 11 173.000 173.000 173.288 -0.288 25800 68 1 . 1 1 11 11 TYR CA C 11 56.000 56.000 55.712 0.288 25800 69 1 . 1 1 11 11 TYR CB C 11 40.900 40.900 41.788 -0.888 25800 70 1 . 1 1 11 11 TYR H H 11 8.690 8.690 8.183 0.507 25800 71 1 . 1 1 12 12 VAL N N 12 126.300 126.300 124.586 1.714 25800 72 1 . 1 1 12 12 VAL HA H 12 4.560 4.560 4.407 0.153 25800 73 1 . 1 1 12 12 VAL C C 12 174.100 174.100 173.718 0.382 25800 74 1 . 1 1 12 12 VAL CA C 12 60.200 60.200 59.843 0.357 25800 75 1 . 1 1 12 12 VAL CB C 12 33.400 33.400 35.051 -1.651 25800 76 1 . 1 1 12 12 VAL H H 12 8.370 8.370 7.856 0.514 25800 77 1 . 1 1 13 13 GLY N N 13 113.000 113.000 111.661 1.339 25800 78 1 . 1 1 13 13 GLY C C 13 173.100 173.100 173.206 -0.106 25800 79 1 . 1 1 13 13 GLY CA C 13 43.300 43.300 43.638 -0.338 25800 80 1 . 1 1 13 13 GLY H H 13 9.350 9.350 8.569 0.781 25800 81 1 . 1 1 14 14 ASN N N 14 113.900 113.900 116.716 -2.816 25800 82 1 . 1 1 14 14 ASN HA H 14 4.280 4.280 4.097 0.183 25800 83 1 . 1 1 14 14 ASN C C 14 175.800 175.800 174.990 0.810 25800 84 1 . 1 1 14 14 ASN CA C 14 53.600 53.600 54.097 -0.497 25800 85 1 . 1 1 14 14 ASN CB C 14 37.700 37.700 37.154 0.546 25800 86 1 . 1 1 14 14 ASN H H 14 8.800 8.800 8.168 0.632 25800 87 1 . 1 1 15 15 LEU N N 15 115.800 115.800 117.675 -1.875 25800 88 1 . 1 1 15 15 LEU HA H 15 4.990 4.990 4.487 0.504 25800 89 1 . 1 1 15 15 LEU CA C 15 55.600 55.600 53.610 1.990 25800 90 1 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.782 -0.182 25800 91 1 . 1 1 15 15 LEU H H 15 7.150 7.150 7.405 -0.255 25800 92 1 . 1 1 16 16 PRO HA H 16 4.070 4.070 4.512 -0.442 25800 93 1 . 1 1 16 16 PRO C C 16 171.500 171.500 177.263 -5.763 25800 94 1 . 1 1 16 16 PRO CA C 16 62.500 62.500 62.842 -0.342 25800 95 1 . 1 1 16 16 PRO CB C 16 32.000 32.000 31.998 0.003 25800 96 1 . 1 1 17 17 SER N N 17 115.200 115.200 116.731 -1.531 25800 97 1 . 1 1 17 17 SER HA H 17 4.300 4.300 4.106 0.194 25800 98 1 . 1 1 17 17 SER C C 17 174.200 174.200 173.867 0.333 25800 99 1 . 1 1 17 17 SER CA C 17 58.200 58.200 59.148 -0.948 25800 100 1 . 1 1 17 17 SER CB C 17 63.900 63.900 62.808 1.092 25800 101 1 . 1 1 17 17 SER H H 17 8.470 8.470 8.586 -0.116 25800 102 1 . 1 1 18 18 HIS N N 18 120.800 120.800 119.926 0.874 25800 103 1 . 1 1 18 18 HIS HA H 18 4.550 4.550 4.561 -0.011 25800 104 1 . 1 1 18 18 HIS C C 18 175.100 175.100 174.258 0.842 25800 105 1 . 1 1 18 18 HIS CA C 18 55.500 55.500 55.971 -0.471 25800 106 1 . 1 1 18 18 HIS CB C 18 29.300 29.300 29.972 -0.672 25800 107 1 . 1 1 18 18 HIS H H 18 8.540 8.540 8.095 0.445 25800 108 1 . 1 1 19 19 VAL N N 19 115.700 115.700 119.835 -4.135 25800 109 1 . 1 1 19 19 VAL HA H 19 4.260 4.260 4.186 0.074 25800 110 1 . 1 1 19 19 VAL C C 19 174.000 174.000 175.426 -1.426 25800 111 1 . 1 1 19 19 VAL CA C 19 61.900 61.900 61.937 -0.037 25800 112 1 . 1 1 19 19 VAL CB C 19 32.600 32.600 33.153 -0.553 25800 113 1 . 1 1 19 19 VAL H H 19 6.650 6.650 7.874 -1.224 25800 114 1 . 1 1 20 20 SER N N 20 118.800 118.800 121.654 -2.854 25800 115 1 . 1 1 20 20 SER HA H 20 4.710 4.710 4.641 0.069 25800 116 1 . 1 1 20 20 SER C C 20 175.900 175.900 175.772 0.128 25800 117 1 . 1 1 20 20 SER CA C 20 55.800 55.800 57.735 -1.935 25800 118 1 . 1 1 20 20 SER CB C 20 66.600 66.600 64.604 1.996 25800 119 1 . 1 1 20 20 SER H H 20 8.930 8.930 8.418 0.512 25800 120 1 . 1 1 21 21 SER N N 21 117.100 117.100 119.887 -2.787 25800 121 1 . 1 1 21 21 SER HA H 21 3.880 3.880 4.111 -0.231 25800 122 1 . 1 1 21 21 SER C C 21 176.200 176.200 176.511 -0.311 25800 123 1 . 1 1 21 21 SER CA C 21 62.300 62.300 61.467 0.833 25800 124 1 . 1 1 21 21 SER CB C 21 66.800 66.800 63.015 3.785 25800 125 1 . 1 1 21 21 SER H H 21 9.080 9.080 8.973 0.107 25800 126 1 . 1 1 22 22 ARG N N 22 121.200 121.200 120.711 0.489 25800 127 1 . 1 1 22 22 ARG HA H 22 3.990 3.990 4.171 -0.181 25800 128 1 . 1 1 22 22 ARG C C 22 177.900 177.900 178.190 -0.290 25800 129 1 . 1 1 22 22 ARG CA C 22 58.700 58.700 58.966 -0.266 25800 130 1 . 1 1 22 22 ARG CB C 22 29.600 29.600 29.690 -0.089 25800 131 1 . 1 1 22 22 ARG H H 22 7.940 7.940 8.372 -0.432 25800 132 1 . 1 1 23 23 ASP N N 23 118.800 118.800 119.963 -1.163 25800 133 1 . 1 1 23 23 ASP HA H 23 4.390 4.390 4.521 -0.131 25800 134 1 . 1 1 23 23 ASP C C 23 179.200 179.200 178.526 0.674 25800 135 1 . 1 1 23 23 ASP CA C 23 57.300 57.300 57.089 0.211 25800 136 1 . 1 1 23 23 ASP CB C 23 41.000 41.000 40.576 0.424 25800 137 1 . 1 1 23 23 ASP H H 23 7.480 7.480 7.750 -0.270 25800 138 1 . 1 1 24 24 VAL N N 24 119.500 119.500 119.465 0.035 25800 139 1 . 1 1 24 24 VAL HA H 24 3.370 3.370 3.760 -0.390 25800 140 1 . 1 1 24 24 VAL C C 24 177.500 177.500 177.517 -0.017 25800 141 1 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.313 0.588 25800 142 1 . 1 1 24 24 VAL CB C 24 31.400 31.400 31.667 -0.267 25800 143 1 . 1 1 24 24 VAL H H 24 7.450 7.450 7.989 -0.539 25800 144 1 . 1 1 25 25 GLU N N 25 121.400 121.400 120.437 0.963 25800 145 1 . 1 1 25 25 GLU HA H 25 3.570 3.570 3.976 -0.406 25800 146 1 . 1 1 25 25 GLU C C 25 178.400 178.400 178.587 -0.187 25800 147 1 . 1 1 25 25 GLU CA C 25 60.600 60.600 60.099 0.501 25800 148 1 . 1 1 25 25 GLU CB C 25 29.600 29.600 29.428 0.172 25800 149 1 . 1 1 25 25 GLU H H 25 8.580 8.580 8.307 0.273 25800 150 1 . 1 1 26 26 ASN N N 26 114.800 114.800 116.755 -1.955 25800 151 1 . 1 1 26 26 ASN HA H 26 4.320 4.320 4.529 -0.209 25800 152 1 . 1 1 26 26 ASN C C 26 177.400 177.400 177.514 -0.114 25800 153 1 . 1 1 26 26 ASN CA C 26 55.900 55.900 55.751 0.149 25800 154 1 . 1 1 26 26 ASN CB C 26 37.900 37.900 38.646 -0.746 25800 155 1 . 1 1 26 26 ASN H H 26 8.180 8.180 7.914 0.266 25800 156 1 . 1 1 27 27 GLU N N 27 118.900 118.900 120.314 -1.413 25800 157 1 . 1 1 27 27 GLU HA H 27 4.140 4.140 4.169 -0.029 25800 158 1 . 1 1 27 27 GLU C C 27 176.400 176.400 179.018 -2.618 25800 159 1 . 1 1 27 27 GLU CA C 27 57.400 57.400 58.881 -1.481 25800 160 1 . 1 1 27 27 GLU CB C 27 29.400 29.400 29.834 -0.434 25800 161 1 . 1 1 27 27 GLU H H 27 7.340 7.340 7.964 -0.624 25800 162 1 . 1 1 28 28 PHE N N 28 114.100 114.100 118.773 -4.673 25800 163 1 . 1 1 28 28 PHE HA H 28 4.550 4.550 4.612 -0.062 25800 164 1 . 1 1 28 28 PHE C C 28 176.300 176.300 178.014 -1.714 25800 165 1 . 1 1 28 28 PHE CA C 28 60.000 60.000 60.612 -0.612 25800 166 1 . 1 1 28 28 PHE CB C 28 40.800 40.800 38.992 1.808 25800 167 1 . 1 1 28 28 PHE H H 28 7.660 7.660 8.399 -0.739 25800 168 1 . 1 1 29 29 ARG N N 29 121.700 121.700 119.316 2.384 25800 169 1 . 1 1 29 29 ARG HA H 29 4.410 4.410 4.371 0.039 25800 170 1 . 1 1 29 29 ARG C C 29 177.100 177.100 177.558 -0.458 25800 171 1 . 1 1 29 29 ARG CA C 29 58.200 58.200 58.558 -0.359 25800 172 1 . 1 1 29 29 ARG CB C 29 29.300 29.300 29.851 -0.551 25800 173 1 . 1 1 29 29 ARG H H 29 8.120 8.120 8.137 -0.017 25800 174 1 . 1 1 30 30 LYS N N 30 117.200 117.200 118.484 -1.284 25800 175 1 . 1 1 30 30 LYS HA H 30 3.830 3.830 4.134 -0.304 25800 176 1 . 1 1 30 30 LYS C C 30 177.100 177.100 178.042 -0.942 25800 177 1 . 1 1 30 30 LYS CA C 30 57.800 57.800 58.132 -0.332 25800 178 1 . 1 1 30 30 LYS CB C 30 31.100 31.100 31.927 -0.827 25800 179 1 . 1 1 30 30 LYS H H 30 7.630 7.630 7.762 -0.132 25800 180 1 . 1 1 31 31 TYR N N 31 117.100 117.100 118.259 -1.159 25800 181 1 . 1 1 31 31 TYR HA H 31 4.150 4.150 4.529 -0.379 25800 182 1 . 1 1 31 31 TYR C C 31 174.400 174.400 176.026 -1.627 25800 183 1 . 1 1 31 31 TYR CA C 31 59.900 59.900 59.301 0.599 25800 184 1 . 1 1 31 31 TYR CB C 31 37.900 37.900 39.672 -1.772 25800 185 1 . 1 1 31 31 TYR H H 31 7.410 7.410 7.979 -0.569 25800 186 1 . 1 1 32 32 GLY N N 32 104.100 104.100 104.631 -0.531 25800 187 1 . 1 1 32 32 GLY C C 32 177.000 177.000 172.278 4.723 25800 188 1 . 1 1 32 32 GLY CA C 32 44.500 44.500 44.778 -0.278 25800 189 1 . 1 1 32 32 GLY H H 32 7.240 7.240 7.663 -0.423 25800 190 1 . 1 1 33 33 ASN N N 33 115.300 115.300 119.768 -4.468 25800 191 1 . 1 1 33 33 ASN HA H 33 4.440 4.440 4.763 -0.323 25800 192 1 . 1 1 33 33 ASN C C 33 175.500 175.500 174.720 0.780 25800 193 1 . 1 1 33 33 ASN CA C 33 54.300 54.300 53.155 1.145 25800 194 1 . 1 1 33 33 ASN CB C 33 38.400 38.400 38.691 -0.291 25800 195 1 . 1 1 33 33 ASN H H 33 8.460 8.460 8.551 -0.091 25800 196 1 . 1 1 34 34 ILE N N 34 126.700 126.700 124.956 1.744 25800 197 1 . 1 1 34 34 ILE HA H 34 3.790 3.790 4.183 -0.393 25800 198 1 . 1 1 34 34 ILE C C 34 175.600 175.600 175.425 0.175 25800 199 1 . 1 1 34 34 ILE CA C 34 61.300 61.300 61.123 0.177 25800 200 1 . 1 1 34 34 ILE CB C 34 40.000 40.000 38.437 1.563 25800 201 1 . 1 1 34 34 ILE H H 34 8.050 8.050 8.197 -0.147 25800 202 1 . 1 1 35 35 LEU N N 35 127.400 127.400 128.740 -1.340 25800 203 1 . 1 1 35 35 LEU HA H 35 4.160 4.160 4.428 -0.268 25800 204 1 . 1 1 35 35 LEU C C 35 177.200 177.200 176.610 0.590 25800 205 1 . 1 1 35 35 LEU CA C 35 55.500 55.500 55.704 -0.204 25800 206 1 . 1 1 35 35 LEU CB C 35 42.700 42.700 42.662 0.038 25800 207 1 . 1 1 35 35 LEU H H 35 8.780 8.780 8.884 -0.104 25800 208 1 . 1 1 36 36 LYS N N 36 117.000 117.000 117.439 -0.439 25800 209 1 . 1 1 36 36 LYS HA H 36 4.240 4.240 4.570 -0.330 25800 210 1 . 1 1 36 36 LYS C C 36 173.600 173.600 174.020 -0.420 25800 211 1 . 1 1 36 36 LYS CA C 36 55.900 55.900 55.718 0.182 25800 212 1 . 1 1 36 36 LYS CB C 36 36.600 36.600 35.690 0.910 25800 213 1 . 1 1 36 36 LYS H H 36 7.110 7.110 7.611 -0.501 25800 214 1 . 1 1 37 37 CYS N N 37 125.400 125.400 120.471 4.929 25800 215 1 . 1 1 37 37 CYS HA H 37 4.700 4.700 5.617 -0.917 25800 216 1 . 1 1 37 37 CYS C C 37 171.600 171.600 172.959 -1.359 25800 217 1 . 1 1 37 37 CYS CA C 37 57.900 57.900 56.792 1.108 25800 218 1 . 1 1 37 37 CYS CB C 37 27.100 27.100 31.126 -4.026 25800 219 1 . 1 1 37 37 CYS H H 37 8.610 8.610 8.607 0.003 25800 220 1 . 1 1 38 38 ASP N N 38 128.200 128.200 122.555 5.645 25800 221 1 . 1 1 38 38 ASP HA H 38 4.950 4.950 5.002 -0.052 25800 222 1 . 1 1 38 38 ASP C C 38 174.300 174.300 174.050 0.250 25800 223 1 . 1 1 38 38 ASP CA C 38 53.200 53.200 53.921 -0.721 25800 224 1 . 1 1 38 38 ASP CB C 38 44.300 44.300 45.473 -1.173 25800 225 1 . 1 1 38 38 ASP H H 38 8.290 8.290 8.795 -0.505 25800 226 1 . 1 1 39 39 VAL N N 39 123.500 123.500 120.063 3.437 25800 227 1 . 1 1 39 39 VAL HA H 39 4.300 4.300 4.980 -0.680 25800 228 1 . 1 1 39 39 VAL C C 39 175.000 175.000 175.036 -0.036 25800 229 1 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.156 0.544 25800 230 1 . 1 1 39 39 VAL CB C 39 33.100 33.100 34.216 -1.116 25800 231 1 . 1 1 39 39 VAL H H 39 8.380 8.380 8.546 -0.166 25800 232 1 . 1 1 40 40 LYS N N 40 129.100 129.100 126.426 2.674 25800 233 1 . 1 1 40 40 LYS HA H 40 4.320 4.320 4.889 -0.569 25800 234 1 . 1 1 40 40 LYS C C 40 173.700 173.700 174.660 -0.960 25800 235 1 . 1 1 40 40 LYS CA C 40 53.900 53.900 54.600 -0.700 25800 236 1 . 1 1 40 40 LYS CB C 40 35.500 35.500 35.751 -0.251 25800 237 1 . 1 1 40 40 LYS H H 40 8.680 8.680 9.274 -0.594 25800 238 1 . 1 1 41 41 LYS N N 41 117.300 117.300 120.601 -3.301 25800 239 1 . 1 1 41 41 LYS HA H 41 4.980 4.980 5.235 -0.255 25800 240 1 . 1 1 41 41 LYS C C 41 177.800 177.800 175.537 2.263 25800 241 1 . 1 1 41 41 LYS CA C 41 54.600 54.600 54.607 -0.007 25800 242 1 . 1 1 41 41 LYS CB C 41 35.000 35.000 35.330 -0.330 25800 243 1 . 1 1 41 41 LYS H H 41 7.900 7.900 8.377 -0.477 25800 244 1 . 1 1 42 42 THR N N 42 113.200 113.200 114.659 -1.459 25800 245 1 . 1 1 42 42 THR HA H 42 4.680 4.680 4.730 -0.050 25800 246 1 . 1 1 42 42 THR C C 42 176.900 176.900 176.260 0.640 25800 247 1 . 1 1 42 42 THR CA C 42 60.200 60.200 60.487 -0.287 25800 248 1 . 1 1 42 42 THR CB C 42 71.600 71.600 70.136 1.464 25800 249 1 . 1 1 42 42 THR H H 42 8.730 8.730 8.452 0.278 25800 250 1 . 1 1 43 43 VAL N N 43 120.000 120.000 123.029 -3.029 25800 251 1 . 1 1 43 43 VAL HA H 43 3.920 3.920 3.981 -0.061 25800 252 1 . 1 1 43 43 VAL C C 43 177.000 177.000 176.615 0.385 25800 253 1 . 1 1 43 43 VAL CA C 43 64.700 64.700 64.446 0.254 25800 254 1 . 1 1 43 43 VAL CB C 43 31.800 31.800 31.740 0.060 25800 255 1 . 1 1 43 43 VAL H H 43 8.730 8.730 8.557 0.173 25800 256 1 . 1 1 44 44 SER N N 44 113.400 113.400 115.166 -1.766 25800 257 1 . 1 1 44 44 SER HA H 44 4.360 4.360 4.371 -0.011 25800 258 1 . 1 1 44 44 SER C C 44 174.800 174.800 175.330 -0.530 25800 259 1 . 1 1 44 44 SER CA C 44 58.400 58.400 58.562 -0.162 25800 260 1 . 1 1 44 44 SER CB C 44 63.500 63.500 63.340 0.160 25800 261 1 . 1 1 44 44 SER H H 44 7.760 7.760 8.015 -0.255 25800 262 1 . 1 1 45 45 GLY N N 45 110.200 110.200 108.697 1.503 25800 263 1 . 1 1 45 45 GLY C C 45 173.500 173.500 173.985 -0.485 25800 264 1 . 1 1 45 45 GLY CA C 45 45.300 45.300 44.969 0.331 25800 265 1 . 1 1 45 45 GLY H H 45 7.820 7.820 7.776 0.044 25800 266 1 . 1 1 46 46 ALA N N 46 123.900 123.900 122.664 1.236 25800 267 1 . 1 1 46 46 ALA HA H 46 4.390 4.390 4.289 0.101 25800 268 1 . 1 1 46 46 ALA C C 46 176.100 176.100 175.585 0.515 25800 269 1 . 1 1 46 46 ALA CA C 46 51.900 51.900 51.805 0.095 25800 270 1 . 1 1 46 46 ALA CB C 46 19.800 19.800 20.032 -0.232 25800 271 1 . 1 1 46 46 ALA H H 46 7.440 7.440 7.741 -0.301 25800 272 1 . 1 1 47 47 ALA N N 47 123.100 123.100 123.473 -0.373 25800 273 1 . 1 1 47 47 ALA HA H 47 5.200 5.200 5.031 0.169 25800 274 1 . 1 1 47 47 ALA C C 47 176.100 176.100 175.408 0.692 25800 275 1 . 1 1 47 47 ALA CA C 47 50.900 50.900 50.248 0.652 25800 276 1 . 1 1 47 47 ALA CB C 47 21.900 21.900 21.951 -0.051 25800 277 1 . 1 1 47 47 ALA H H 47 8.350 8.350 8.008 0.342 25800 278 1 . 1 1 48 48 PHE N N 48 118.700 118.700 117.700 1.000 25800 279 1 . 1 1 48 48 PHE HA H 48 5.030 5.030 5.299 -0.269 25800 280 1 . 1 1 48 48 PHE C C 48 171.600 171.600 174.099 -2.499 25800 281 1 . 1 1 48 48 PHE CA C 48 55.700 55.700 56.480 -0.780 25800 282 1 . 1 1 48 48 PHE CB C 48 41.200 41.200 43.220 -2.020 25800 283 1 . 1 1 48 48 PHE H H 48 8.550 8.550 8.895 -0.345 25800 284 1 . 1 1 49 49 ALA N N 49 120.400 120.400 124.144 -3.744 25800 285 1 . 1 1 49 49 ALA HA H 49 5.330 5.330 5.267 0.063 25800 286 1 . 1 1 49 49 ALA C C 49 175.500 175.500 175.308 0.192 25800 287 1 . 1 1 49 49 ALA CA C 49 49.300 49.300 50.406 -1.106 25800 288 1 . 1 1 49 49 ALA CB C 49 23.700 23.700 21.690 2.010 25800 289 1 . 1 1 49 49 ALA H H 49 9.240 9.240 8.791 0.449 25800 290 1 . 1 1 50 50 PHE N N 50 115.000 115.000 120.044 -5.044 25800 291 1 . 1 1 50 50 PHE HA H 50 5.600 5.600 5.525 0.075 25800 292 1 . 1 1 50 50 PHE C C 50 176.000 176.000 174.322 1.678 25800 293 1 . 1 1 50 50 PHE CA C 50 56.500 56.500 56.468 0.032 25800 294 1 . 1 1 50 50 PHE CB C 50 42.200 42.200 43.155 -0.955 25800 295 1 . 1 1 50 50 PHE H H 50 7.920 7.920 8.920 -1.000 25800 296 1 . 1 1 51 51 ILE N N 51 123.000 123.000 121.771 1.229 25800 297 1 . 1 1 51 51 ILE HA H 51 4.450 4.450 4.680 -0.230 25800 298 1 . 1 1 51 51 ILE C C 51 173.700 173.700 174.284 -0.584 25800 299 1 . 1 1 51 51 ILE CA C 51 60.200 60.200 60.488 -0.288 25800 300 1 . 1 1 51 51 ILE CB C 51 40.700 40.700 41.434 -0.734 25800 301 1 . 1 1 51 51 ILE H H 51 8.490 8.490 8.708 -0.218 25800 302 1 . 1 1 52 52 GLU N N 52 126.600 126.600 126.453 0.147 25800 303 1 . 1 1 52 52 GLU HA H 52 4.770 4.770 4.904 -0.134 25800 304 1 . 1 1 52 52 GLU C C 52 175.300 175.300 175.149 0.151 25800 305 1 . 1 1 52 52 GLU CA C 52 54.700 54.700 55.437 -0.737 25800 306 1 . 1 1 52 52 GLU CB C 52 31.500 31.500 32.013 -0.513 25800 307 1 . 1 1 52 52 GLU H H 52 8.610 8.610 8.953 -0.343 25800 308 1 . 1 1 53 53 PHE N N 53 126.100 126.100 124.856 1.244 25800 309 1 . 1 1 53 53 PHE HA H 53 4.800 4.800 5.106 -0.305 25800 310 1 . 1 1 53 53 PHE C C 53 175.400 175.400 175.645 -0.245 25800 311 1 . 1 1 53 53 PHE CA C 53 58.200 58.200 56.527 1.673 25800 312 1 . 1 1 53 53 PHE CB C 53 40.900 40.900 42.407 -1.507 25800 313 1 . 1 1 53 53 PHE H H 53 8.800 8.800 8.861 -0.061 25800 314 1 . 1 1 54 54 GLU N N 54 120.700 120.700 121.624 -0.924 25800 315 1 . 1 1 54 54 GLU HA H 54 3.930 3.930 4.211 -0.281 25800 316 1 . 1 1 54 54 GLU C C 54 175.300 175.300 176.131 -0.831 25800 317 1 . 1 1 54 54 GLU CA C 54 59.100 59.100 57.982 1.118 25800 318 1 . 1 1 54 54 GLU CB C 54 30.800 30.800 30.441 0.359 25800 319 1 . 1 1 54 54 GLU H H 54 8.160 8.160 8.576 -0.416 25800 320 1 . 1 1 55 55 ASP N N 55 117.900 117.900 119.044 -1.144 25800 321 1 . 1 1 55 55 ASP HA H 55 4.920 4.920 4.811 0.109 25800 322 1 . 1 1 55 55 ASP C C 55 176.400 176.400 175.520 0.880 25800 323 1 . 1 1 55 55 ASP CA C 55 52.400 52.400 53.233 -0.833 25800 324 1 . 1 1 55 55 ASP CB C 55 44.400 44.400 42.007 2.393 25800 325 1 . 1 1 55 55 ASP H H 55 8.740 8.740 7.995 0.745 25800 326 1 . 1 1 56 56 ALA N N 56 128.900 128.900 126.107 2.794 25800 327 1 . 1 1 56 56 ALA HA H 56 3.830 3.830 3.564 0.266 25800 328 1 . 1 1 56 56 ALA C C 56 179.800 179.800 178.624 1.176 25800 329 1 . 1 1 56 56 ALA CA C 56 55.200 55.200 54.897 0.303 25800 330 1 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.956 -0.056 25800 331 1 . 1 1 56 56 ALA H H 56 8.800 8.800 8.434 0.366 25800 332 1 . 1 1 57 57 ARG N N 57 119.200 119.200 117.006 2.194 25800 333 1 . 1 1 57 57 ARG HA H 57 3.890 3.890 4.117 -0.227 25800 334 1 . 1 1 57 57 ARG C C 57 178.000 178.000 177.237 0.763 25800 335 1 . 1 1 57 57 ARG CA C 57 58.900 58.900 58.577 0.323 25800 336 1 . 1 1 57 57 ARG CB C 57 29.300 29.300 29.255 0.045 25800 337 1 . 1 1 57 57 ARG H H 57 8.950 8.950 8.372 0.578 25800 338 1 . 1 1 58 58 ASP N N 58 120.900 120.900 119.219 1.681 25800 339 1 . 1 1 58 58 ASP HA H 58 4.090 4.090 4.537 -0.447 25800 340 1 . 1 1 58 58 ASP C C 58 176.700 176.700 177.762 -1.062 25800 341 1 . 1 1 58 58 ASP CA C 58 56.500 56.500 56.600 -0.100 25800 342 1 . 1 1 58 58 ASP CB C 58 39.900 39.900 40.855 -0.955 25800 343 1 . 1 1 58 58 ASP H H 58 7.020 7.020 8.038 -1.018 25800 344 1 . 1 1 59 59 ALA N N 59 119.700 119.700 122.082 -2.382 25800 345 1 . 1 1 59 59 ALA HA H 59 3.080 3.080 4.206 -1.126 25800 346 1 . 1 1 59 59 ALA C C 59 178.100 178.100 179.225 -1.125 25800 347 1 . 1 1 59 59 ALA CA C 59 54.300 54.300 54.340 -0.040 25800 348 1 . 1 1 59 59 ALA CB C 59 18.400 18.400 18.346 0.054 25800 349 1 . 1 1 59 59 ALA H H 59 6.440 6.440 7.765 -1.325 25800 350 1 . 1 1 60 60 ALA N N 60 117.600 117.600 121.315 -3.715 25800 351 1 . 1 1 60 60 ALA HA H 60 3.830 3.830 4.053 -0.223 25800 352 1 . 1 1 60 60 ALA C C 60 180.900 180.900 178.945 1.955 25800 353 1 . 1 1 60 60 ALA CA C 60 54.900 54.900 55.188 -0.288 25800 354 1 . 1 1 60 60 ALA CB C 60 17.700 17.700 18.310 -0.610 25800 355 1 . 1 1 60 60 ALA H H 60 7.330 7.330 8.186 -0.856 25800 356 1 . 1 1 61 61 ASP N N 61 120.100 120.100 118.268 1.832 25800 357 1 . 1 1 61 61 ASP HA H 61 4.210 4.210 4.438 -0.228 25800 358 1 . 1 1 61 61 ASP C C 61 176.700 176.700 177.618 -0.918 25800 359 1 . 1 1 61 61 ASP CA C 61 57.100 57.100 56.785 0.315 25800 360 1 . 1 1 61 61 ASP CB C 61 40.100 40.100 40.448 -0.348 25800 361 1 . 1 1 61 61 ASP H H 61 7.590 7.590 7.989 -0.399 25800 362 1 . 1 1 62 62 ALA N N 62 122.200 122.200 121.612 0.588 25800 363 1 . 1 1 62 62 ALA HA H 62 2.420 2.420 3.990 -1.571 25800 364 1 . 1 1 62 62 ALA C C 62 179.300 179.300 179.076 0.224 25800 365 1 . 1 1 62 62 ALA CA C 62 54.600 54.600 54.084 0.516 25800 366 1 . 1 1 62 62 ALA CB C 62 19.100 19.100 18.702 0.398 25800 367 1 . 1 1 62 62 ALA H H 62 7.440 7.440 7.453 -0.013 25800 368 1 . 1 1 63 63 ILE N N 63 116.700 116.700 118.978 -2.278 25800 369 1 . 1 1 63 63 ILE HA H 63 3.240 3.240 3.978 -0.738 25800 370 1 . 1 1 63 63 ILE C C 63 177.800 177.800 177.611 0.189 25800 371 1 . 1 1 63 63 ILE CA C 63 65.600 65.600 63.250 2.350 25800 372 1 . 1 1 63 63 ILE CB C 63 38.900 38.900 38.010 0.890 25800 373 1 . 1 1 63 63 ILE H H 63 7.540 7.540 7.872 -0.332 25800 374 1 . 1 1 64 64 LYS N N 64 117.400 117.400 118.975 -1.576 25800 375 1 . 1 1 64 64 LYS HA H 64 3.900 3.900 4.192 -0.292 25800 376 1 . 1 1 64 64 LYS C C 64 178.900 178.900 178.051 0.849 25800 377 1 . 1 1 64 64 LYS CA C 64 58.800 58.800 58.367 0.433 25800 378 1 . 1 1 64 64 LYS CB C 64 32.600 32.600 31.750 0.850 25800 379 1 . 1 1 64 64 LYS H H 64 7.490 7.490 8.206 -0.716 25800 380 1 . 1 1 65 65 GLU N N 65 113.800 113.800 118.008 -4.208 25800 381 1 . 1 1 65 65 GLU HA H 65 4.160 4.160 4.302 -0.142 25800 382 1 . 1 1 65 65 GLU C C 65 178.300 178.300 177.554 0.746 25800 383 1 . 1 1 65 65 GLU CA C 65 58.300 58.300 57.782 0.518 25800 384 1 . 1 1 65 65 GLU CB C 65 30.700 30.700 29.521 1.179 25800 385 1 . 1 1 65 65 GLU H H 65 7.960 7.960 7.992 -0.032 25800 386 1 . 1 1 66 66 LYS N N 66 114.700 114.700 118.418 -3.718 25800 387 1 . 1 1 66 66 LYS HA H 66 4.470 4.470 4.444 0.026 25800 388 1 . 1 1 66 66 LYS C C 66 177.500 177.500 176.654 0.846 25800 389 1 . 1 1 66 66 LYS CA C 66 54.400 54.400 55.621 -1.221 25800 390 1 . 1 1 66 66 LYS CB C 66 33.000 33.000 32.328 0.672 25800 391 1 . 1 1 66 66 LYS H H 66 8.050 8.050 7.833 0.217 25800 392 1 . 1 1 67 67 ASP N N 67 118.800 118.800 120.158 -1.358 25800 393 1 . 1 1 67 67 ASP HA H 67 4.220 4.220 4.480 -0.260 25800 394 1 . 1 1 67 67 ASP C C 67 177.700 177.700 177.494 0.206 25800 395 1 . 1 1 67 67 ASP CA C 67 58.400 58.400 54.426 3.974 25800 396 1 . 1 1 67 67 ASP CB C 67 41.400 41.400 41.187 0.213 25800 397 1 . 1 1 67 67 ASP H H 67 7.620 7.620 7.605 0.015 25800 398 1 . 1 1 68 68 GLY N N 68 115.600 115.600 107.899 7.701 25800 399 1 . 1 1 68 68 GLY C C 68 173.800 173.800 174.769 -0.969 25800 400 1 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.720 1.180 25800 401 1 . 1 1 68 68 GLY H H 68 8.470 8.470 8.591 -0.121 25800 402 1 . 1 1 69 69 CYS N N 69 119.200 119.200 119.779 -0.579 25800 403 1 . 1 1 69 69 CYS HA H 69 4.160 4.160 4.711 -0.551 25800 404 1 . 1 1 69 69 CYS C C 69 172.600 172.600 174.284 -1.684 25800 405 1 . 1 1 69 69 CYS CA C 69 58.000 58.000 57.780 0.220 25800 406 1 . 1 1 69 69 CYS CB C 69 28.700 28.700 29.049 -0.349 25800 407 1 . 1 1 69 69 CYS H H 69 7.890 7.890 8.182 -0.292 25800 408 1 . 1 1 70 70 ASP N N 70 122.200 122.200 124.068 -1.868 25800 409 1 . 1 1 70 70 ASP HA H 70 4.830 4.830 4.751 0.079 25800 410 1 . 1 1 70 70 ASP C C 70 176.400 176.400 174.575 1.825 25800 411 1 . 1 1 70 70 ASP CA C 70 54.700 54.700 53.677 1.023 25800 412 1 . 1 1 70 70 ASP CB C 70 42.700 42.700 43.798 -1.098 25800 413 1 . 1 1 70 70 ASP H H 70 8.360 8.360 8.679 -0.319 25800 414 1 . 1 1 71 71 PHE N N 71 127.600 127.600 119.988 7.612 25800 415 1 . 1 1 71 71 PHE HA H 71 4.600 4.600 5.080 -0.480 25800 416 1 . 1 1 71 71 PHE C C 71 173.600 173.600 175.043 -1.443 25800 417 1 . 1 1 71 71 PHE CA C 71 56.800 56.800 56.871 -0.071 25800 418 1 . 1 1 71 71 PHE CB C 71 40.700 40.700 41.359 -0.659 25800 419 1 . 1 1 71 71 PHE H H 71 9.390 9.390 7.824 1.566 25800 420 1 . 1 1 72 72 GLU N N 72 123.900 123.900 119.479 4.421 25800 421 1 . 1 1 72 72 GLU HA H 72 3.540 3.540 4.063 -0.523 25800 422 1 . 1 1 72 72 GLU C C 72 175.500 175.500 176.085 -0.585 25800 423 1 . 1 1 72 72 GLU CA C 72 56.700 56.700 57.043 -0.343 25800 424 1 . 1 1 72 72 GLU CB C 72 27.300 27.300 28.801 -1.501 25800 425 1 . 1 1 72 72 GLU H H 72 8.940 8.940 9.018 -0.078 25800 426 1 . 1 1 73 73 GLY N N 73 105.200 105.200 107.104 -1.904 25800 427 1 . 1 1 73 73 GLY C C 73 174.100 174.100 173.995 0.105 25800 428 1 . 1 1 73 73 GLY CA C 73 45.600 45.600 45.100 0.500 25800 429 1 . 1 1 73 73 GLY H H 73 8.350 8.350 8.285 0.065 25800 430 1 . 1 1 74 74 ASN N N 74 121.000 121.000 120.333 0.667 25800 431 1 . 1 1 74 74 ASN HA H 74 4.760 4.760 4.824 -0.064 25800 432 1 . 1 1 74 74 ASN C C 74 174.000 174.000 173.737 0.263 25800 433 1 . 1 1 74 74 ASN CA C 74 50.900 50.900 52.948 -2.048 25800 434 1 . 1 1 74 74 ASN CB C 74 39.700 39.700 39.789 -0.089 25800 435 1 . 1 1 74 74 ASN H H 74 7.740 7.740 8.079 -0.339 25800 436 1 . 1 1 75 75 LYS N N 75 121.400 121.400 120.470 0.930 25800 437 1 . 1 1 75 75 LYS HA H 75 4.470 4.470 4.658 -0.188 25800 438 1 . 1 1 75 75 LYS C C 75 176.900 176.900 174.824 2.076 25800 439 1 . 1 1 75 75 LYS CA C 75 55.300 55.300 55.796 -0.496 25800 440 1 . 1 1 75 75 LYS CB C 75 31.900 31.900 33.121 -1.221 25800 441 1 . 1 1 75 75 LYS H H 75 8.380 8.380 8.434 -0.054 25800 442 1 . 1 1 76 76 LEU N N 76 127.400 127.400 123.687 3.712 25800 443 1 . 1 1 76 76 LEU HA H 76 4.430 4.430 4.576 -0.146 25800 444 1 . 1 1 76 76 LEU C C 76 177.600 177.600 174.327 3.273 25800 445 1 . 1 1 76 76 LEU CA C 76 55.300 55.300 55.152 0.148 25800 446 1 . 1 1 76 76 LEU CB C 76 43.100 43.100 45.511 -2.410 25800 447 1 . 1 1 76 76 LEU H H 76 8.950 8.950 8.422 0.528 25800 448 1 . 1 1 77 77 ARG N N 77 121.800 121.800 124.886 -3.086 25800 449 1 . 1 1 77 77 ARG HA H 77 4.900 4.900 4.796 0.104 25800 450 1 . 1 1 77 77 ARG C C 77 174.700 174.700 173.829 0.871 25800 451 1 . 1 1 77 77 ARG CA C 77 54.000 54.000 55.464 -1.464 25800 452 1 . 1 1 77 77 ARG CB C 77 32.300 32.300 32.820 -0.520 25800 453 1 . 1 1 77 77 ARG H H 77 7.530 7.530 8.629 -1.099 25800 454 1 . 1 1 78 78 VAL N N 78 127.000 127.000 124.265 2.735 25800 455 1 . 1 1 78 78 VAL HA H 78 5.280 5.280 4.466 0.815 25800 456 1 . 1 1 78 78 VAL C C 78 174.200 174.200 174.506 -0.306 25800 457 1 . 1 1 78 78 VAL CA C 78 61.200 61.200 61.502 -0.302 25800 458 1 . 1 1 78 78 VAL CB C 78 33.400 33.400 34.386 -0.986 25800 459 1 . 1 1 78 78 VAL H H 78 9.660 9.660 8.508 1.152 25800 460 1 . 1 1 79 79 GLU N N 79 121.900 121.900 126.593 -4.693 25800 461 1 . 1 1 79 79 GLU HA H 79 4.710 4.710 4.623 0.087 25800 462 1 . 1 1 79 79 GLU C C 79 174.600 174.600 174.042 0.558 25800 463 1 . 1 1 79 79 GLU CA C 79 53.900 53.900 55.509 -1.609 25800 464 1 . 1 1 79 79 GLU CB C 79 34.400 34.400 34.084 0.316 25800 465 1 . 1 1 79 79 GLU H H 79 8.980 8.980 8.357 0.623 25800 466 1 . 1 1 80 80 VAL N N 80 121.300 121.300 121.982 -0.682 25800 467 1 . 1 1 80 80 VAL HA H 80 4.370 4.370 4.422 -0.052 25800 468 1 . 1 1 80 80 VAL CA C 80 61.000 61.000 58.690 2.310 25800 469 1 . 1 1 80 80 VAL CB C 80 32.100 32.100 33.191 -1.091 25800 470 1 . 1 1 80 80 VAL H H 80 8.410 8.410 8.428 -0.018 25800 471 1 . 1 1 81 81 PRO HA H 81 4.260 4.260 4.449 -0.189 25800 472 1 . 1 1 81 81 PRO C C 81 176.100 176.100 176.671 -0.571 25800 473 1 . 1 1 81 81 PRO CA C 81 63.100 63.100 64.051 -0.951 25800 474 1 . 1 1 81 81 PRO CB C 81 32.100 32.100 31.326 0.774 25800 475 1 . 1 1 82 82 PHE N N 82 122.200 122.200 116.555 5.645 25800 476 1 . 1 1 82 82 PHE HA H 82 4.290 4.290 4.592 -0.302 25800 477 1 . 1 1 82 82 PHE C C 82 175.300 175.300 175.482 -0.182 25800 478 1 . 1 1 82 82 PHE CA C 82 58.100 58.100 56.323 1.777 25800 479 1 . 1 1 82 82 PHE CB C 82 39.400 39.400 38.021 1.379 25800 480 1 . 1 1 82 82 PHE H H 82 8.150 8.150 7.742 0.408 25800 481 1 . 1 1 83 83 ASN N N 83 120.800 120.800 118.829 1.971 25800 482 1 . 1 1 83 83 ASN HA H 83 4.440 4.440 4.435 0.005 25800 483 1 . 1 1 83 83 ASN C C 83 174.100 174.100 174.663 -0.563 25800 484 1 . 1 1 83 83 ASN CA C 83 52.700 52.700 53.644 -0.944 25800 485 1 . 1 1 83 83 ASN CB C 83 38.700 38.700 37.796 0.904 25800 486 1 . 1 1 83 83 ASN H H 83 8.110 8.110 8.069 0.041 25800 487 1 . 1 1 84 84 ALA N N 84 123.700 123.700 121.859 1.841 25800 488 1 . 1 1 84 84 ALA HA H 84 4.080 4.080 4.506 -0.425 25800 489 1 . 1 1 84 84 ALA C C 84 177.100 177.100 176.798 0.302 25800 490 1 . 1 1 84 84 ALA CA C 84 52.400 52.400 52.282 0.118 25800 491 1 . 1 1 84 84 ALA CB C 84 19.100 19.100 20.299 -1.199 25800 492 1 . 1 1 84 84 ALA H H 84 8.020 8.020 8.080 -0.060 25800 493 1 . 1 1 85 85 ARG N N 85 120.200 120.200 119.849 0.351 25800 494 1 . 1 1 85 85 ARG HA H 85 4.150 4.150 4.355 -0.205 25800 495 1 . 1 1 85 85 ARG C C 85 175.200 175.200 175.553 -0.353 25800 496 1 . 1 1 85 85 ARG CA C 85 56.000 56.000 56.493 -0.493 25800 497 1 . 1 1 85 85 ARG CB C 85 30.800 30.800 30.359 0.441 25800 498 1 . 1 1 85 85 ARG H H 85 8.040 8.040 8.575 -0.535 25800 stop_ save_