data_19328 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19328 _Entry.PDB_ID 2MA5 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 19328 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.812 0.008 19328 2 1 1 . 1 1 2 2 HIS C C 2 174.000 174.000 175.731 -1.731 19328 3 1 1 . 1 1 2 2 HIS CA C 2 55.800 55.800 56.881 -1.081 19328 4 1 1 . 1 1 2 2 HIS CB C 2 30.400 30.400 30.341 0.059 19328 5 1 1 . 1 1 3 3 MET N N 3 121.100 121.100 117.388 3.712 19328 6 1 1 . 1 1 3 3 MET HA H 3 5.220 5.220 4.379 0.841 19328 7 1 1 . 1 1 3 3 MET C C 3 176.100 176.100 175.086 1.014 19328 8 1 1 . 1 1 3 3 MET CA C 3 55.800 55.800 55.827 -0.027 19328 9 1 1 . 1 1 3 3 MET CB C 3 34.500 34.500 32.000 2.500 19328 10 1 1 . 1 1 4 4 CYS N N 4 129.800 129.800 119.686 10.114 19328 11 1 1 . 1 1 4 4 CYS HA H 4 5.230 5.230 5.047 0.183 19328 12 1 1 . 1 1 4 4 CYS CA C 4 57.000 57.000 55.924 1.076 19328 13 1 1 . 1 1 4 4 CYS CB C 4 30.200 30.200 28.364 1.836 19328 14 1 1 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.436 0.344 19328 15 1 1 . 1 1 5 5 PRO C C 5 176.800 176.800 175.955 0.845 19328 16 1 1 . 1 1 5 5 PRO CA C 5 63.300 63.300 63.291 0.009 19328 17 1 1 . 1 1 5 5 PRO CB C 5 30.100 30.100 30.317 -0.217 19328 18 1 1 . 1 1 6 6 ALA N N 6 125.200 125.200 125.879 -0.679 19328 19 1 1 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.361 0.119 19328 20 1 1 . 1 1 6 6 ALA C C 6 176.800 176.800 177.009 -0.209 19328 21 1 1 . 1 1 6 6 ALA CA C 6 53.300 53.300 51.601 1.699 19328 22 1 1 . 1 1 6 6 ALA CB C 6 20.200 20.200 20.828 -0.628 19328 23 1 1 . 1 1 7 7 VAL N N 7 121.500 121.500 121.559 -0.059 19328 24 1 1 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.933 -0.203 19328 25 1 1 . 1 1 7 7 VAL C C 7 177.600 177.600 176.828 0.772 19328 26 1 1 . 1 1 7 7 VAL CA C 7 66.300 66.300 64.339 1.961 19328 27 1 1 . 1 1 7 7 VAL CB C 7 31.300 31.300 32.038 -0.738 19328 28 1 1 . 1 1 8 8 SER N N 8 113.200 113.200 117.026 -3.826 19328 29 1 1 . 1 1 8 8 SER HA H 8 4.550 4.550 4.462 0.088 19328 30 1 1 . 1 1 8 8 SER C C 8 172.900 172.900 173.342 -0.442 19328 31 1 1 . 1 1 8 8 SER CA C 8 56.700 56.700 58.601 -1.901 19328 32 1 1 . 1 1 8 8 SER CB C 8 63.300 63.300 61.797 1.503 19328 33 1 1 . 1 1 9 9 CYS N N 9 126.000 126.000 124.803 1.197 19328 34 1 1 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.728 0.532 19328 35 1 1 . 1 1 9 9 CYS C C 9 177.300 177.300 174.728 2.572 19328 36 1 1 . 1 1 9 9 CYS CA C 9 58.200 58.200 57.735 0.465 19328 37 1 1 . 1 1 9 9 CYS CB C 9 29.600 29.600 26.393 3.207 19328 38 1 1 . 1 1 10 10 LEU N N 10 135.700 135.700 129.339 6.361 19328 39 1 1 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.225 -0.045 19328 40 1 1 . 1 1 10 10 LEU C C 10 176.300 176.300 176.173 0.127 19328 41 1 1 . 1 1 10 10 LEU CA C 10 55.900 55.900 55.221 0.679 19328 42 1 1 . 1 1 10 10 LEU CB C 10 41.500 41.500 42.251 -0.751 19328 43 1 1 . 1 1 11 11 GLN N N 11 120.100 120.100 124.033 -3.933 19328 44 1 1 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.543 -0.673 19328 45 1 1 . 1 1 11 11 GLN CA C 11 55.400 55.400 53.617 1.782 19328 46 1 1 . 1 1 11 11 GLN CB C 11 28.100 28.100 28.805 -0.705 19328 47 1 1 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.494 -0.264 19328 48 1 1 . 1 1 12 12 PRO C C 12 176.700 176.700 176.779 -0.079 19328 49 1 1 . 1 1 12 12 PRO CA C 12 62.700 62.700 62.494 0.206 19328 50 1 1 . 1 1 12 12 PRO CB C 12 31.300 31.300 32.467 -1.167 19328 51 1 1 . 1 1 13 13 GLU N N 13 120.800 120.800 118.987 1.813 19328 52 1 1 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.167 0.173 19328 53 1 1 . 1 1 13 13 GLU C C 13 176.700 176.700 177.255 -0.555 19328 54 1 1 . 1 1 13 13 GLU CA C 13 55.600 55.600 57.159 -1.559 19328 55 1 1 . 1 1 13 13 GLU CB C 13 32.100 32.100 29.978 2.122 19328 56 1 1 . 1 1 14 14 GLY N N 14 109.000 109.000 108.385 0.615 19328 57 1 1 . 1 1 14 14 GLY C C 14 174.100 174.100 174.204 -0.104 19328 58 1 1 . 1 1 14 14 GLY CA C 14 44.800 44.800 44.781 0.019 19328 59 1 1 . 1 1 15 15 ASP N N 15 118.800 118.800 123.757 -4.957 19328 60 1 1 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.718 -0.038 19328 61 1 1 . 1 1 15 15 ASP C C 15 177.000 177.000 175.681 1.319 19328 62 1 1 . 1 1 15 15 ASP CA C 15 55.500 55.500 53.789 1.711 19328 63 1 1 . 1 1 15 15 ASP CB C 15 41.400 41.400 39.539 1.861 19328 64 1 1 . 1 1 16 16 GLU N N 16 120.100 120.100 122.127 -2.027 19328 65 1 1 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.315 0.245 19328 66 1 1 . 1 1 16 16 GLU C C 16 175.400 175.400 176.822 -1.422 19328 67 1 1 . 1 1 16 16 GLU CA C 16 55.600 55.600 56.862 -1.262 19328 68 1 1 . 1 1 16 16 GLU CB C 16 29.200 29.200 30.798 -1.598 19328 69 1 1 . 1 1 17 17 VAL N N 17 120.100 120.100 118.989 1.111 19328 70 1 1 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.308 -0.348 19328 71 1 1 . 1 1 17 17 VAL C C 17 174.500 174.500 175.710 -1.210 19328 72 1 1 . 1 1 17 17 VAL CA C 17 61.600 61.600 61.136 0.464 19328 73 1 1 . 1 1 17 17 VAL CB C 17 33.200 33.200 32.541 0.659 19328 74 1 1 . 1 1 18 18 ASP N N 18 122.700 122.700 121.061 1.639 19328 75 1 1 . 1 1 18 18 ASP HA H 18 5.130 5.130 5.012 0.118 19328 76 1 1 . 1 1 18 18 ASP C C 18 176.900 176.900 175.604 1.296 19328 77 1 1 . 1 1 18 18 ASP CA C 18 54.200 54.200 53.826 0.374 19328 78 1 1 . 1 1 18 18 ASP CB C 18 42.500 42.500 42.306 0.194 19328 79 1 1 . 1 1 19 19 TRP N N 19 124.200 124.200 122.638 1.562 19328 80 1 1 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.249 0.391 19328 81 1 1 . 1 1 19 19 TRP C C 19 176.200 176.200 175.587 0.613 19328 82 1 1 . 1 1 19 19 TRP CA C 19 57.300 57.300 55.355 1.945 19328 83 1 1 . 1 1 19 19 TRP CB C 19 34.100 34.100 31.777 2.323 19328 84 1 1 . 1 1 20 20 VAL N N 20 121.500 121.500 118.552 2.948 19328 85 1 1 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.446 0.354 19328 86 1 1 . 1 1 20 20 VAL C C 20 170.800 170.800 173.401 -2.601 19328 87 1 1 . 1 1 20 20 VAL CA C 20 60.600 60.600 60.703 -0.103 19328 88 1 1 . 1 1 20 20 VAL CB C 20 35.300 35.300 35.795 -0.495 19328 89 1 1 . 1 1 21 21 GLN N N 21 131.300 131.300 127.377 3.923 19328 90 1 1 . 1 1 21 21 GLN HA H 21 4.480 4.480 4.022 0.458 19328 91 1 1 . 1 1 21 21 GLN C C 21 175.300 175.300 174.778 0.522 19328 92 1 1 . 1 1 21 21 GLN CA C 21 53.600 53.600 54.599 -0.999 19328 93 1 1 . 1 1 21 21 GLN CB C 21 28.300 28.300 28.258 0.042 19328 94 1 1 . 1 1 22 22 CYS N N 22 127.400 127.400 129.846 -2.446 19328 95 1 1 . 1 1 22 22 CYS HA H 22 4.500 4.500 4.870 -0.370 19328 96 1 1 . 1 1 22 22 CYS C C 22 176.100 176.100 175.133 0.967 19328 97 1 1 . 1 1 22 22 CYS CA C 22 60.600 60.600 58.157 2.443 19328 98 1 1 . 1 1 22 22 CYS CB C 22 31.300 31.300 25.710 5.590 19328 99 1 1 . 1 1 23 23 ASP N N 23 129.200 129.200 127.423 1.777 19328 100 1 1 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.432 0.378 19328 101 1 1 . 1 1 23 23 ASP C C 23 176.700 176.700 177.160 -0.460 19328 102 1 1 . 1 1 23 23 ASP CA C 23 55.300 55.300 58.198 -2.898 19328 103 1 1 . 1 1 23 23 ASP CB C 23 41.300 41.300 41.070 0.230 19328 104 1 1 . 1 1 24 24 GLY N N 24 116.300 116.300 108.473 7.827 19328 105 1 1 . 1 1 24 24 GLY C C 24 173.700 173.700 174.790 -1.090 19328 106 1 1 . 1 1 24 24 GLY CA C 24 43.700 43.700 47.164 -3.464 19328 107 1 1 . 1 1 25 25 SER N N 25 116.500 116.500 115.146 1.354 19328 108 1 1 . 1 1 25 25 SER HA H 25 4.180 4.180 4.638 -0.458 19328 109 1 1 . 1 1 25 25 SER C C 25 176.600 176.600 174.191 2.409 19328 110 1 1 . 1 1 25 25 SER CA C 25 61.000 61.000 58.026 2.974 19328 111 1 1 . 1 1 25 25 SER CB C 25 63.700 63.700 63.932 -0.232 19328 112 1 1 . 1 1 26 26 CYS N N 26 122.000 122.000 118.000 4.000 19328 113 1 1 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.867 -0.467 19328 114 1 1 . 1 1 26 26 CYS C C 26 176.500 176.500 174.409 2.091 19328 115 1 1 . 1 1 26 26 CYS CA C 26 60.800 60.800 59.382 1.418 19328 116 1 1 . 1 1 26 26 CYS CB C 26 29.600 29.600 30.259 -0.659 19328 117 1 1 . 1 1 27 27 ASN N N 27 117.000 117.000 116.489 0.511 19328 118 1 1 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.397 0.423 19328 119 1 1 . 1 1 27 27 ASN C C 27 174.900 174.900 174.190 0.710 19328 120 1 1 . 1 1 27 27 ASN CA C 27 54.800 54.800 54.477 0.323 19328 121 1 1 . 1 1 27 27 ASN CB C 27 39.500 39.500 36.613 2.887 19328 122 1 1 . 1 1 28 28 GLN N N 28 120.700 120.700 117.576 3.124 19328 123 1 1 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.323 0.037 19328 124 1 1 . 1 1 28 28 GLN C C 28 174.600 174.600 175.300 -0.700 19328 125 1 1 . 1 1 28 28 GLN CA C 28 57.100 57.100 55.154 1.946 19328 126 1 1 . 1 1 28 28 GLN CB C 28 31.500 31.500 29.101 2.399 19328 127 1 1 . 1 1 29 29 TRP N N 29 119.600 119.600 123.140 -3.540 19328 128 1 1 . 1 1 29 29 TRP HA H 29 4.950 4.950 4.807 0.143 19328 129 1 1 . 1 1 29 29 TRP C C 29 175.400 175.400 175.485 -0.085 19328 130 1 1 . 1 1 29 29 TRP CA C 29 57.100 57.100 56.848 0.252 19328 131 1 1 . 1 1 29 29 TRP CB C 29 30.500 30.500 30.295 0.205 19328 132 1 1 . 1 1 30 30 PHE N N 30 119.600 119.600 119.852 -0.252 19328 133 1 1 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.327 0.503 19328 134 1 1 . 1 1 30 30 PHE C C 30 176.600 176.600 174.559 2.041 19328 135 1 1 . 1 1 30 30 PHE CA C 30 56.400 56.400 55.276 1.123 19328 136 1 1 . 1 1 30 30 PHE CB C 30 43.000 43.000 42.498 0.502 19328 137 1 1 . 1 1 31 31 HIS N N 31 123.600 123.600 119.317 4.283 19328 138 1 1 . 1 1 31 31 HIS HA H 31 4.230 4.230 4.570 -0.340 19328 139 1 1 . 1 1 31 31 HIS C C 31 177.400 177.400 176.610 0.790 19328 140 1 1 . 1 1 31 31 HIS CA C 31 57.100 57.100 55.390 1.710 19328 141 1 1 . 1 1 31 31 HIS CB C 31 29.800 29.800 29.377 0.423 19328 142 1 1 . 1 1 32 32 GLN N N 32 124.100 124.100 123.259 0.841 19328 143 1 1 . 1 1 32 32 GLN HA H 32 3.520 3.520 3.827 -0.307 19328 144 1 1 . 1 1 32 32 GLN C C 32 179.100 179.100 178.132 0.968 19328 145 1 1 . 1 1 32 32 GLN CA C 32 60.600 60.600 59.911 0.689 19328 146 1 1 . 1 1 32 32 GLN CB C 32 26.900 26.900 28.594 -1.694 19328 147 1 1 . 1 1 33 33 VAL N N 33 112.800 112.800 114.129 -1.329 19328 148 1 1 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.785 0.285 19328 149 1 1 . 1 1 33 33 VAL C C 33 178.200 178.200 176.505 1.695 19328 150 1 1 . 1 1 33 33 VAL CA C 33 64.400 64.400 64.841 -0.441 19328 151 1 1 . 1 1 33 33 VAL CB C 33 31.600 31.600 31.107 0.493 19328 152 1 1 . 1 1 34 34 CYS N N 34 120.900 120.900 117.329 3.571 19328 153 1 1 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.245 -0.165 19328 154 1 1 . 1 1 34 34 CYS C C 34 177.100 177.100 176.495 0.605 19328 155 1 1 . 1 1 34 34 CYS CA C 34 62.500 62.500 61.136 1.364 19328 156 1 1 . 1 1 34 34 CYS CB C 34 29.500 29.500 27.187 2.313 19328 157 1 1 . 1 1 35 35 VAL N N 35 106.500 106.500 113.374 -6.874 19328 158 1 1 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.242 0.318 19328 159 1 1 . 1 1 35 35 VAL C C 35 176.200 176.200 175.855 0.345 19328 160 1 1 . 1 1 35 35 VAL CA C 35 60.100 60.100 61.446 -1.346 19328 161 1 1 . 1 1 35 35 VAL CB C 35 31.800 31.800 32.059 -0.259 19328 162 1 1 . 1 1 36 36 GLY N N 36 109.800 109.800 109.562 0.238 19328 163 1 1 . 1 1 36 36 GLY C C 36 174.600 174.600 174.450 0.150 19328 164 1 1 . 1 1 36 36 GLY CA C 36 46.900 46.900 45.653 1.247 19328 165 1 1 . 1 1 37 37 VAL N N 37 119.000 119.000 119.862 -0.862 19328 166 1 1 . 1 1 37 37 VAL HA H 37 4.330 4.330 3.854 0.476 19328 167 1 1 . 1 1 37 37 VAL C C 37 174.000 174.000 176.532 -2.532 19328 168 1 1 . 1 1 37 37 VAL CA C 37 60.800 60.800 62.892 -2.092 19328 169 1 1 . 1 1 37 37 VAL CB C 37 34.200 34.200 31.811 2.389 19328 170 1 1 . 1 1 38 38 SER N N 38 122.000 122.000 125.050 -3.050 19328 171 1 1 . 1 1 38 38 SER HA H 38 4.900 4.900 4.613 0.287 19328 172 1 1 . 1 1 38 38 SER C C 38 174.100 174.100 174.502 -0.402 19328 173 1 1 . 1 1 38 38 SER CA C 38 55.500 55.500 57.202 -1.702 19328 174 1 1 . 1 1 38 38 SER CB C 38 63.800 63.800 63.812 -0.012 19328 175 1 1 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.407 -0.047 19328 176 1 1 . 1 1 39 39 PRO C C 39 179.300 179.300 178.053 1.247 19328 177 1 1 . 1 1 39 39 PRO CA C 39 65.600 65.600 65.045 0.555 19328 178 1 1 . 1 1 39 39 PRO CB C 39 31.900 31.900 31.987 -0.087 19328 179 1 1 . 1 1 40 40 GLU N N 40 116.600 116.600 119.579 -2.979 19328 180 1 1 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.153 0.007 19328 181 1 1 . 1 1 40 40 GLU C C 40 178.500 178.500 178.704 -0.204 19328 182 1 1 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.560 -0.460 19328 183 1 1 . 1 1 40 40 GLU CB C 40 29.200 29.200 28.852 0.348 19328 184 1 1 . 1 1 41 41 MET N N 41 119.300 119.300 118.975 0.325 19328 185 1 1 . 1 1 41 41 MET HA H 41 4.260 4.260 4.246 0.014 19328 186 1 1 . 1 1 41 41 MET C C 41 178.200 178.200 178.222 -0.022 19328 187 1 1 . 1 1 41 41 MET CA C 41 57.300 57.300 57.825 -0.525 19328 188 1 1 . 1 1 41 41 MET CB C 41 33.400 33.400 31.835 1.565 19328 189 1 1 . 1 1 42 42 ALA N N 42 121.900 121.900 121.052 0.848 19328 190 1 1 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.145 -0.005 19328 191 1 1 . 1 1 42 42 ALA C C 42 179.100 179.100 179.867 -0.767 19328 192 1 1 . 1 1 42 42 ALA CA C 42 54.400 54.400 55.085 -0.685 19328 193 1 1 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.060 0.540 19328 194 1 1 . 1 1 43 43 GLU N N 43 115.100 115.100 119.211 -4.111 19328 195 1 1 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.128 0.202 19328 196 1 1 . 1 1 43 43 GLU C C 43 177.600 177.600 178.526 -0.926 19328 197 1 1 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.626 -1.125 19328 198 1 1 . 1 1 43 43 GLU CB C 43 30.200 30.200 29.653 0.547 19328 199 1 1 . 1 1 44 44 LYS N N 44 117.600 117.600 117.015 0.585 19328 200 1 1 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.207 0.123 19328 201 1 1 . 1 1 44 44 LYS C C 44 176.200 176.200 176.369 -0.169 19328 202 1 1 . 1 1 44 44 LYS CA C 44 57.500 57.500 57.038 0.463 19328 203 1 1 . 1 1 44 44 LYS CB C 44 34.400 34.400 32.790 1.610 19328 204 1 1 . 1 1 45 45 GLU N N 45 118.200 118.200 113.110 5.090 19328 205 1 1 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.038 0.592 19328 206 1 1 . 1 1 45 45 GLU C C 45 175.400 175.400 175.026 0.374 19328 207 1 1 . 1 1 45 45 GLU CA C 45 54.900 54.900 57.523 -2.623 19328 208 1 1 . 1 1 45 45 GLU CB C 45 32.020 32.020 27.615 4.405 19328 209 1 1 . 1 1 46 46 ASP N N 46 121.600 121.600 120.025 1.575 19328 210 1 1 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.783 -0.003 19328 211 1 1 . 1 1 46 46 ASP C C 46 175.900 175.900 174.660 1.240 19328 212 1 1 . 1 1 46 46 ASP CA C 46 54.200 54.200 53.353 0.847 19328 213 1 1 . 1 1 46 46 ASP CB C 46 41.000 41.000 41.107 -0.107 19328 214 1 1 . 1 1 47 47 TYR N N 47 124.600 124.600 126.559 -1.959 19328 215 1 1 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.711 -0.161 19328 216 1 1 . 1 1 47 47 TYR C C 47 172.200 172.200 173.505 -1.305 19328 217 1 1 . 1 1 47 47 TYR CA C 47 58.000 58.000 57.649 0.351 19328 218 1 1 . 1 1 47 47 TYR CB C 47 39.800 39.800 40.718 -0.918 19328 219 1 1 . 1 1 48 48 ILE N N 48 128.000 128.000 127.476 0.524 19328 220 1 1 . 1 1 48 48 ILE HA H 48 4.470 4.470 4.256 0.214 19328 221 1 1 . 1 1 48 48 ILE C C 48 174.800 174.800 175.890 -1.090 19328 222 1 1 . 1 1 48 48 ILE CA C 48 58.600 58.600 59.299 -0.699 19328 223 1 1 . 1 1 48 48 ILE CB C 48 38.300 38.300 37.827 0.473 19328 224 1 1 . 1 1 49 49 CYS N N 49 130.100 130.100 125.946 4.154 19328 225 1 1 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.317 -0.157 19328 226 1 1 . 1 1 49 49 CYS C C 49 176.400 176.400 176.068 0.332 19328 227 1 1 . 1 1 49 49 CYS CA C 49 58.500 58.500 57.355 1.145 19328 228 1 1 . 1 1 49 49 CYS CB C 49 31.800 31.800 29.146 2.654 19328 229 1 1 . 1 1 50 50 VAL N N 50 116.100 116.100 121.926 -5.826 19328 230 1 1 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.529 0.271 19328 231 1 1 . 1 1 50 50 VAL C C 50 177.900 177.900 177.981 -0.081 19328 232 1 1 . 1 1 50 50 VAL CA C 50 65.300 65.300 67.111 -1.811 19328 233 1 1 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.663 0.137 19328 234 1 1 . 1 1 51 51 ARG N N 51 121.800 121.800 119.182 2.618 19328 235 1 1 . 1 1 51 51 ARG HA H 51 4.240 4.240 3.979 0.261 19328 236 1 1 . 1 1 51 51 ARG C C 51 178.900 178.900 178.834 0.066 19328 237 1 1 . 1 1 51 51 ARG CA C 51 59.000 59.000 59.301 -0.301 19328 238 1 1 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.754 0.546 19328 239 1 1 . 1 1 52 52 CYS N N 52 123.700 123.700 115.951 7.749 19328 240 1 1 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.497 -0.477 19328 241 1 1 . 1 1 52 52 CYS C C 52 176.500 176.500 176.106 0.394 19328 242 1 1 . 1 1 52 52 CYS CA C 52 63.400 63.400 61.426 1.974 19328 243 1 1 . 1 1 52 52 CYS CB C 52 30.100 30.100 26.381 3.719 19328 244 1 1 . 1 1 53 53 THR N N 53 115.800 115.800 114.420 1.380 19328 245 1 1 . 1 1 53 53 THR HA H 53 3.860 3.860 4.099 -0.239 19328 246 1 1 . 1 1 53 53 THR C C 53 174.900 174.900 176.984 -2.084 19328 247 1 1 . 1 1 53 53 THR CA C 53 65.200 65.200 65.602 -0.402 19328 248 1 1 . 1 1 53 53 THR CB C 53 69.400 69.400 68.896 0.504 19328 249 1 1 . 1 1 54 54 VAL N N 54 120.900 120.900 120.489 0.411 19328 250 1 1 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.889 0.131 19328 251 1 1 . 1 1 54 54 VAL C C 54 176.600 176.600 176.350 0.250 19328 252 1 1 . 1 1 54 54 VAL CA C 54 63.200 63.200 64.593 -1.393 19328 253 1 1 . 1 1 54 54 VAL CB C 54 32.400 32.400 31.309 1.091 19328 254 1 1 . 1 1 55 55 LYS N N 55 123.100 123.100 118.468 4.632 19328 255 1 1 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.477 -0.267 19328 256 1 1 . 1 1 55 55 LYS C C 55 176.700 176.700 176.463 0.237 19328 257 1 1 . 1 1 55 55 LYS CA C 55 57.200 57.200 55.423 1.777 19328 258 1 1 . 1 1 55 55 LYS CB C 55 33.100 33.100 32.459 0.641 19328 259 1 1 . 1 1 56 56 ASP N N 56 119.600 119.600 121.563 -1.963 19328 260 1 1 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.554 0.026 19328 261 1 1 . 1 1 56 56 ASP C C 56 175.600 175.600 175.958 -0.358 19328 262 1 1 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.940 -0.640 19328 263 1 1 . 1 1 56 56 ASP CB C 56 40.800 40.800 41.403 -0.603 19328 264 1 1 . 1 1 57 57 ALA N N 57 124.700 124.700 122.069 2.631 19328 265 1 1 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.160 0.380 19328 266 1 1 . 1 1 57 57 ALA CA C 57 51.100 51.100 51.817 -0.717 19328 267 1 1 . 1 1 57 57 ALA CB C 57 18.200 18.200 17.174 1.026 19328 268 1 1 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.564 -0.114 19328 269 1 1 . 1 1 58 58 PRO C C 58 177.100 177.100 178.059 -0.959 19328 270 1 1 . 1 1 58 58 PRO CA C 58 63.500 63.500 61.968 1.532 19328 271 1 1 . 1 1 58 58 PRO CB C 58 31.900 31.900 32.872 -0.972 19328 272 1 1 . 1 1 59 59 SER N N 59 115.500 115.500 114.360 1.140 19328 273 1 1 . 1 1 59 59 SER HA H 59 4.430 4.430 4.301 0.129 19328 274 1 1 . 1 1 59 59 SER C C 59 174.500 174.500 174.687 -0.187 19328 275 1 1 . 1 1 59 59 SER CA C 59 58.300 58.300 59.387 -1.087 19328 276 1 1 . 1 1 59 59 SER CB C 59 63.700 63.700 63.097 0.603 19328 277 1 1 . 1 1 60 60 ARG N N 60 123.600 123.600 120.696 2.904 19328 278 1 1 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.448 -0.058 19328 279 1 1 . 1 1 60 60 ARG C C 60 175.300 175.300 173.984 1.316 19328 280 1 1 . 1 1 60 60 ARG CA C 60 55.900 55.900 56.294 -0.394 19328 281 1 1 . 1 1 60 60 ARG CB C 60 30.800 30.800 31.382 -0.582 19328 282 1 2 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.926 -0.106 19328 283 1 2 . 1 1 2 2 HIS C C 2 174.000 174.000 175.291 -1.291 19328 284 1 2 . 1 1 2 2 HIS CA C 2 55.800 55.800 56.055 -0.255 19328 285 1 2 . 1 1 2 2 HIS CB C 2 30.400 30.400 30.312 0.088 19328 286 1 2 . 1 1 3 3 MET N N 3 121.100 121.100 121.853 -0.753 19328 287 1 2 . 1 1 3 3 MET HA H 3 5.220 5.220 4.376 0.844 19328 288 1 2 . 1 1 3 3 MET C C 3 176.100 176.100 175.937 0.163 19328 289 1 2 . 1 1 3 3 MET CA C 3 55.800 55.800 56.724 -0.923 19328 290 1 2 . 1 1 3 3 MET CB C 3 34.500 34.500 33.388 1.112 19328 291 1 2 . 1 1 4 4 CYS N N 4 129.800 129.800 114.979 14.821 19328 292 1 2 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.751 0.479 19328 293 1 2 . 1 1 4 4 CYS CA C 4 57.000 57.000 57.575 -0.575 19328 294 1 2 . 1 1 4 4 CYS CB C 4 30.200 30.200 28.993 1.207 19328 295 1 2 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.482 0.298 19328 296 1 2 . 1 1 5 5 PRO C C 5 176.800 176.800 175.475 1.325 19328 297 1 2 . 1 1 5 5 PRO CA C 5 63.300 63.300 63.080 0.220 19328 298 1 2 . 1 1 5 5 PRO CB C 5 30.100 30.100 30.781 -0.681 19328 299 1 2 . 1 1 6 6 ALA N N 6 125.200 125.200 123.177 2.023 19328 300 1 2 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.527 -0.047 19328 301 1 2 . 1 1 6 6 ALA C C 6 176.800 176.800 177.545 -0.745 19328 302 1 2 . 1 1 6 6 ALA CA C 6 53.300 53.300 51.558 1.742 19328 303 1 2 . 1 1 6 6 ALA CB C 6 20.200 20.200 20.304 -0.104 19328 304 1 2 . 1 1 7 7 VAL N N 7 121.500 121.500 121.240 0.260 19328 305 1 2 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.814 -0.084 19328 306 1 2 . 1 1 7 7 VAL C C 7 177.600 177.600 176.696 0.904 19328 307 1 2 . 1 1 7 7 VAL CA C 7 66.300 66.300 63.814 2.486 19328 308 1 2 . 1 1 7 7 VAL CB C 7 31.300 31.300 32.162 -0.862 19328 309 1 2 . 1 1 8 8 SER N N 8 113.200 113.200 116.889 -3.689 19328 310 1 2 . 1 1 8 8 SER HA H 8 4.550 4.550 4.414 0.136 19328 311 1 2 . 1 1 8 8 SER C C 8 172.900 172.900 173.137 -0.237 19328 312 1 2 . 1 1 8 8 SER CA C 8 56.700 56.700 58.726 -2.026 19328 313 1 2 . 1 1 8 8 SER CB C 8 63.300 63.300 62.612 0.688 19328 314 1 2 . 1 1 9 9 CYS N N 9 126.000 126.000 125.557 0.443 19328 315 1 2 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.708 0.552 19328 316 1 2 . 1 1 9 9 CYS C C 9 177.300 177.300 173.974 3.326 19328 317 1 2 . 1 1 9 9 CYS CA C 9 58.200 58.200 58.321 -0.121 19328 318 1 2 . 1 1 9 9 CYS CB C 9 29.600 29.600 27.486 2.114 19328 319 1 2 . 1 1 10 10 LEU N N 10 135.700 135.700 126.671 9.029 19328 320 1 2 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.379 -0.199 19328 321 1 2 . 1 1 10 10 LEU C C 10 176.300 176.300 176.672 -0.372 19328 322 1 2 . 1 1 10 10 LEU CA C 10 55.900 55.900 55.629 0.271 19328 323 1 2 . 1 1 10 10 LEU CB C 10 41.500 41.500 42.497 -0.997 19328 324 1 2 . 1 1 11 11 GLN N N 11 120.100 120.100 124.990 -4.890 19328 325 1 2 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.502 -0.632 19328 326 1 2 . 1 1 11 11 GLN CA C 11 55.400 55.400 53.219 2.181 19328 327 1 2 . 1 1 11 11 GLN CB C 11 28.100 28.100 28.616 -0.516 19328 328 1 2 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.567 -0.337 19328 329 1 2 . 1 1 12 12 PRO C C 12 176.700 176.700 176.821 -0.121 19328 330 1 2 . 1 1 12 12 PRO CA C 12 62.700 62.700 62.187 0.513 19328 331 1 2 . 1 1 12 12 PRO CB C 12 31.300 31.300 32.854 -1.554 19328 332 1 2 . 1 1 13 13 GLU N N 13 120.800 120.800 118.427 2.373 19328 333 1 2 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.256 0.084 19328 334 1 2 . 1 1 13 13 GLU C C 13 176.700 176.700 176.845 -0.145 19328 335 1 2 . 1 1 13 13 GLU CA C 13 55.600 55.600 56.712 -1.112 19328 336 1 2 . 1 1 13 13 GLU CB C 13 32.100 32.100 29.941 2.159 19328 337 1 2 . 1 1 14 14 GLY N N 14 109.000 109.000 108.681 0.319 19328 338 1 2 . 1 1 14 14 GLY C C 14 174.100 174.100 174.097 0.003 19328 339 1 2 . 1 1 14 14 GLY CA C 14 44.800 44.800 44.704 0.096 19328 340 1 2 . 1 1 15 15 ASP N N 15 118.800 118.800 119.231 -0.431 19328 341 1 2 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.284 0.396 19328 342 1 2 . 1 1 15 15 ASP C C 15 177.000 177.000 175.981 1.019 19328 343 1 2 . 1 1 15 15 ASP CA C 15 55.500 55.500 55.191 0.309 19328 344 1 2 . 1 1 15 15 ASP CB C 15 41.400 41.400 40.597 0.803 19328 345 1 2 . 1 1 16 16 GLU N N 16 120.100 120.100 118.347 1.753 19328 346 1 2 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.305 0.255 19328 347 1 2 . 1 1 16 16 GLU C C 16 175.400 175.400 176.020 -0.620 19328 348 1 2 . 1 1 16 16 GLU CA C 16 55.600 55.600 56.210 -0.610 19328 349 1 2 . 1 1 16 16 GLU CB C 16 29.200 29.200 30.526 -1.326 19328 350 1 2 . 1 1 17 17 VAL N N 17 120.100 120.100 119.669 0.431 19328 351 1 2 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.301 -0.341 19328 352 1 2 . 1 1 17 17 VAL C C 17 174.500 174.500 175.743 -1.243 19328 353 1 2 . 1 1 17 17 VAL CA C 17 61.600 61.600 61.938 -0.338 19328 354 1 2 . 1 1 17 17 VAL CB C 17 33.200 33.200 32.351 0.849 19328 355 1 2 . 1 1 18 18 ASP N N 18 122.700 122.700 124.950 -2.250 19328 356 1 2 . 1 1 18 18 ASP HA H 18 5.130 5.130 4.271 0.859 19328 357 1 2 . 1 1 18 18 ASP C C 18 176.900 176.900 176.047 0.853 19328 358 1 2 . 1 1 18 18 ASP CA C 18 54.200 54.200 53.670 0.530 19328 359 1 2 . 1 1 18 18 ASP CB C 18 42.500 42.500 42.162 0.338 19328 360 1 2 . 1 1 19 19 TRP N N 19 124.200 124.200 121.474 2.726 19328 361 1 2 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.106 0.534 19328 362 1 2 . 1 1 19 19 TRP C C 19 176.200 176.200 176.412 -0.212 19328 363 1 2 . 1 1 19 19 TRP CA C 19 57.300 57.300 55.969 1.331 19328 364 1 2 . 1 1 19 19 TRP CB C 19 34.100 34.100 31.905 2.195 19328 365 1 2 . 1 1 20 20 VAL N N 20 121.500 121.500 118.823 2.677 19328 366 1 2 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.513 0.287 19328 367 1 2 . 1 1 20 20 VAL C C 20 170.800 170.800 173.863 -3.063 19328 368 1 2 . 1 1 20 20 VAL CA C 20 60.600 60.600 61.408 -0.808 19328 369 1 2 . 1 1 20 20 VAL CB C 20 35.300 35.300 35.819 -0.519 19328 370 1 2 . 1 1 21 21 GLN N N 21 131.300 131.300 129.014 2.286 19328 371 1 2 . 1 1 21 21 GLN HA H 21 4.480 4.480 5.000 -0.520 19328 372 1 2 . 1 1 21 21 GLN C C 21 175.300 175.300 175.646 -0.346 19328 373 1 2 . 1 1 21 21 GLN CA C 21 53.600 53.600 55.210 -1.610 19328 374 1 2 . 1 1 21 21 GLN CB C 21 28.300 28.300 29.524 -1.224 19328 375 1 2 . 1 1 22 22 CYS N N 22 127.400 127.400 130.142 -2.742 19328 376 1 2 . 1 1 22 22 CYS HA H 22 4.500 4.500 4.876 -0.376 19328 377 1 2 . 1 1 22 22 CYS C C 22 176.100 176.100 175.798 0.302 19328 378 1 2 . 1 1 22 22 CYS CA C 22 60.600 60.600 58.471 2.129 19328 379 1 2 . 1 1 22 22 CYS CB C 22 31.300 31.300 24.899 6.401 19328 380 1 2 . 1 1 23 23 ASP N N 23 129.200 129.200 126.001 3.199 19328 381 1 2 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.481 0.329 19328 382 1 2 . 1 1 23 23 ASP C C 23 176.700 176.700 177.568 -0.868 19328 383 1 2 . 1 1 23 23 ASP CA C 23 55.300 55.300 57.531 -2.231 19328 384 1 2 . 1 1 23 23 ASP CB C 23 41.300 41.300 40.931 0.369 19328 385 1 2 . 1 1 24 24 GLY N N 24 116.300 116.300 106.721 9.579 19328 386 1 2 . 1 1 24 24 GLY C C 24 173.700 173.700 175.270 -1.570 19328 387 1 2 . 1 1 24 24 GLY CA C 24 43.700 43.700 46.949 -3.248 19328 388 1 2 . 1 1 25 25 SER N N 25 116.500 116.500 113.002 3.498 19328 389 1 2 . 1 1 25 25 SER HA H 25 4.180 4.180 4.748 -0.568 19328 390 1 2 . 1 1 25 25 SER C C 25 176.600 176.600 172.764 3.836 19328 391 1 2 . 1 1 25 25 SER CA C 25 61.000 61.000 57.822 3.178 19328 392 1 2 . 1 1 25 25 SER CB C 25 63.700 63.700 63.175 0.525 19328 393 1 2 . 1 1 26 26 CYS N N 26 122.000 122.000 117.758 4.242 19328 394 1 2 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.672 -0.272 19328 395 1 2 . 1 1 26 26 CYS C C 26 176.500 176.500 174.548 1.952 19328 396 1 2 . 1 1 26 26 CYS CA C 26 60.800 60.800 59.226 1.574 19328 397 1 2 . 1 1 26 26 CYS CB C 26 29.600 29.600 30.591 -0.991 19328 398 1 2 . 1 1 27 27 ASN N N 27 117.000 117.000 116.839 0.161 19328 399 1 2 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.397 0.423 19328 400 1 2 . 1 1 27 27 ASN C C 27 174.900 174.900 173.962 0.938 19328 401 1 2 . 1 1 27 27 ASN CA C 27 54.800 54.800 54.931 -0.131 19328 402 1 2 . 1 1 27 27 ASN CB C 27 39.500 39.500 37.748 1.752 19328 403 1 2 . 1 1 28 28 GLN N N 28 120.700 120.700 118.165 2.535 19328 404 1 2 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.361 -0.001 19328 405 1 2 . 1 1 28 28 GLN C C 28 174.600 174.600 175.081 -0.481 19328 406 1 2 . 1 1 28 28 GLN CA C 28 57.100 57.100 54.366 2.734 19328 407 1 2 . 1 1 28 28 GLN CB C 28 31.500 31.500 29.827 1.673 19328 408 1 2 . 1 1 29 29 TRP N N 29 119.600 119.600 121.267 -1.667 19328 409 1 2 . 1 1 29 29 TRP HA H 29 4.950 4.950 5.339 -0.389 19328 410 1 2 . 1 1 29 29 TRP C C 29 175.400 175.400 174.834 0.566 19328 411 1 2 . 1 1 29 29 TRP CA C 29 57.100 57.100 54.449 2.651 19328 412 1 2 . 1 1 29 29 TRP CB C 29 30.500 30.500 29.280 1.220 19328 413 1 2 . 1 1 30 30 PHE N N 30 119.600 119.600 121.364 -1.764 19328 414 1 2 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.500 0.330 19328 415 1 2 . 1 1 30 30 PHE C C 30 176.600 176.600 175.629 0.971 19328 416 1 2 . 1 1 30 30 PHE CA C 30 56.400 56.400 55.879 0.521 19328 417 1 2 . 1 1 30 30 PHE CB C 30 43.000 43.000 40.947 2.053 19328 418 1 2 . 1 1 31 31 HIS N N 31 123.600 123.600 117.153 6.447 19328 419 1 2 . 1 1 31 31 HIS HA H 31 4.230 4.230 4.873 -0.643 19328 420 1 2 . 1 1 31 31 HIS C C 31 177.400 177.400 176.460 0.940 19328 421 1 2 . 1 1 31 31 HIS CA C 31 57.100 57.100 56.475 0.625 19328 422 1 2 . 1 1 31 31 HIS CB C 31 29.800 29.800 29.909 -0.109 19328 423 1 2 . 1 1 32 32 GLN N N 32 124.100 124.100 121.799 2.301 19328 424 1 2 . 1 1 32 32 GLN HA H 32 3.520 3.520 4.133 -0.613 19328 425 1 2 . 1 1 32 32 GLN C C 32 179.100 179.100 178.223 0.877 19328 426 1 2 . 1 1 32 32 GLN CA C 32 60.600 60.600 59.791 0.809 19328 427 1 2 . 1 1 32 32 GLN CB C 32 26.900 26.900 28.942 -2.042 19328 428 1 2 . 1 1 33 33 VAL N N 33 112.800 112.800 113.731 -0.931 19328 429 1 2 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.887 0.183 19328 430 1 2 . 1 1 33 33 VAL C C 33 178.200 178.200 177.371 0.829 19328 431 1 2 . 1 1 33 33 VAL CA C 33 64.400 64.400 64.941 -0.541 19328 432 1 2 . 1 1 33 33 VAL CB C 33 31.600 31.600 31.369 0.231 19328 433 1 2 . 1 1 34 34 CYS N N 34 120.900 120.900 119.326 1.574 19328 434 1 2 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.446 -0.366 19328 435 1 2 . 1 1 34 34 CYS C C 34 177.100 177.100 176.458 0.642 19328 436 1 2 . 1 1 34 34 CYS CA C 34 62.500 62.500 61.763 0.737 19328 437 1 2 . 1 1 34 34 CYS CB C 34 29.500 29.500 26.631 2.869 19328 438 1 2 . 1 1 35 35 VAL N N 35 106.500 106.500 113.479 -6.979 19328 439 1 2 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.213 0.347 19328 440 1 2 . 1 1 35 35 VAL C C 35 176.200 176.200 176.478 -0.278 19328 441 1 2 . 1 1 35 35 VAL CA C 35 60.100 60.100 61.669 -1.569 19328 442 1 2 . 1 1 35 35 VAL CB C 35 31.800 31.800 32.707 -0.907 19328 443 1 2 . 1 1 36 36 GLY N N 36 109.800 109.800 108.811 0.989 19328 444 1 2 . 1 1 36 36 GLY C C 36 174.600 174.600 174.277 0.323 19328 445 1 2 . 1 1 36 36 GLY CA C 36 46.900 46.900 45.146 1.754 19328 446 1 2 . 1 1 37 37 VAL N N 37 119.000 119.000 119.904 -0.904 19328 447 1 2 . 1 1 37 37 VAL HA H 37 4.330 4.330 4.140 0.190 19328 448 1 2 . 1 1 37 37 VAL C C 37 174.000 174.000 175.946 -1.946 19328 449 1 2 . 1 1 37 37 VAL CA C 37 60.800 60.800 62.077 -1.277 19328 450 1 2 . 1 1 37 37 VAL CB C 37 34.200 34.200 33.005 1.195 19328 451 1 2 . 1 1 38 38 SER N N 38 122.000 122.000 124.901 -2.901 19328 452 1 2 . 1 1 38 38 SER HA H 38 4.900 4.900 4.791 0.109 19328 453 1 2 . 1 1 38 38 SER C C 38 174.100 174.100 173.877 0.223 19328 454 1 2 . 1 1 38 38 SER CA C 38 55.500 55.500 56.200 -0.700 19328 455 1 2 . 1 1 38 38 SER CB C 38 63.800 63.800 62.978 0.822 19328 456 1 2 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.391 -0.031 19328 457 1 2 . 1 1 39 39 PRO C C 39 179.300 179.300 178.859 0.441 19328 458 1 2 . 1 1 39 39 PRO CA C 39 65.600 65.600 65.946 -0.346 19328 459 1 2 . 1 1 39 39 PRO CB C 39 31.900 31.900 31.964 -0.064 19328 460 1 2 . 1 1 40 40 GLU N N 40 116.600 116.600 114.968 1.632 19328 461 1 2 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.147 0.013 19328 462 1 2 . 1 1 40 40 GLU C C 40 178.500 178.500 178.578 -0.078 19328 463 1 2 . 1 1 40 40 GLU CA C 40 59.100 59.100 58.637 0.463 19328 464 1 2 . 1 1 40 40 GLU CB C 40 29.200 29.200 29.143 0.057 19328 465 1 2 . 1 1 41 41 MET N N 41 119.300 119.300 119.654 -0.354 19328 466 1 2 . 1 1 41 41 MET HA H 41 4.260 4.260 4.619 -0.359 19328 467 1 2 . 1 1 41 41 MET C C 41 178.200 178.200 178.952 -0.752 19328 468 1 2 . 1 1 41 41 MET CA C 41 57.300 57.300 58.915 -1.615 19328 469 1 2 . 1 1 41 41 MET CB C 41 33.400 33.400 33.312 0.088 19328 470 1 2 . 1 1 42 42 ALA N N 42 121.900 121.900 121.142 0.758 19328 471 1 2 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.116 0.024 19328 472 1 2 . 1 1 42 42 ALA C C 42 179.100 179.100 178.964 0.136 19328 473 1 2 . 1 1 42 42 ALA CA C 42 54.400 54.400 54.735 -0.335 19328 474 1 2 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.317 0.283 19328 475 1 2 . 1 1 43 43 GLU N N 43 115.100 115.100 117.930 -2.830 19328 476 1 2 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.225 0.105 19328 477 1 2 . 1 1 43 43 GLU C C 43 177.600 177.600 177.481 0.119 19328 478 1 2 . 1 1 43 43 GLU CA C 43 57.500 57.500 57.948 -0.448 19328 479 1 2 . 1 1 43 43 GLU CB C 43 30.200 30.200 29.890 0.310 19328 480 1 2 . 1 1 44 44 LYS N N 44 117.600 117.600 118.267 -0.667 19328 481 1 2 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.226 0.104 19328 482 1 2 . 1 1 44 44 LYS C C 44 176.200 176.200 176.807 -0.607 19328 483 1 2 . 1 1 44 44 LYS CA C 44 57.500 57.500 57.491 0.009 19328 484 1 2 . 1 1 44 44 LYS CB C 44 34.400 34.400 33.860 0.540 19328 485 1 2 . 1 1 45 45 GLU N N 45 118.200 118.200 117.868 0.332 19328 486 1 2 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.504 0.126 19328 487 1 2 . 1 1 45 45 GLU C C 45 175.400 175.400 174.584 0.816 19328 488 1 2 . 1 1 45 45 GLU CA C 45 54.900 54.900 55.918 -1.018 19328 489 1 2 . 1 1 45 45 GLU CB C 45 32.020 32.020 31.412 0.608 19328 490 1 2 . 1 1 46 46 ASP N N 46 121.600 121.600 123.993 -2.393 19328 491 1 2 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.254 0.526 19328 492 1 2 . 1 1 46 46 ASP C C 46 175.900 175.900 174.380 1.520 19328 493 1 2 . 1 1 46 46 ASP CA C 46 54.200 54.200 55.141 -0.941 19328 494 1 2 . 1 1 46 46 ASP CB C 46 41.000 41.000 41.064 -0.064 19328 495 1 2 . 1 1 47 47 TYR N N 47 124.600 124.600 116.805 7.795 19328 496 1 2 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.720 -0.170 19328 497 1 2 . 1 1 47 47 TYR C C 47 172.200 172.200 174.370 -2.170 19328 498 1 2 . 1 1 47 47 TYR CA C 47 58.000 58.000 55.759 2.241 19328 499 1 2 . 1 1 47 47 TYR CB C 47 39.800 39.800 38.479 1.321 19328 500 1 2 . 1 1 48 48 ILE N N 48 128.000 128.000 123.932 4.068 19328 501 1 2 . 1 1 48 48 ILE HA H 48 4.470 4.470 3.998 0.472 19328 502 1 2 . 1 1 48 48 ILE C C 48 174.800 174.800 176.273 -1.473 19328 503 1 2 . 1 1 48 48 ILE CA C 48 58.600 58.600 60.773 -2.173 19328 504 1 2 . 1 1 48 48 ILE CB C 48 38.300 38.300 36.552 1.748 19328 505 1 2 . 1 1 49 49 CYS N N 49 130.100 130.100 126.186 3.914 19328 506 1 2 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.384 -0.224 19328 507 1 2 . 1 1 49 49 CYS C C 49 176.400 176.400 175.818 0.582 19328 508 1 2 . 1 1 49 49 CYS CA C 49 58.500 58.500 58.481 0.019 19328 509 1 2 . 1 1 49 49 CYS CB C 49 31.800 31.800 28.926 2.874 19328 510 1 2 . 1 1 50 50 VAL N N 50 116.100 116.100 120.620 -4.520 19328 511 1 2 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.648 0.152 19328 512 1 2 . 1 1 50 50 VAL C C 50 177.900 177.900 178.142 -0.242 19328 513 1 2 . 1 1 50 50 VAL CA C 50 65.300 65.300 66.562 -1.262 19328 514 1 2 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.277 0.523 19328 515 1 2 . 1 1 51 51 ARG N N 51 121.800 121.800 119.325 2.475 19328 516 1 2 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.107 0.133 19328 517 1 2 . 1 1 51 51 ARG C C 51 178.900 178.900 178.795 0.105 19328 518 1 2 . 1 1 51 51 ARG CA C 51 59.000 59.000 58.650 0.350 19328 519 1 2 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.249 1.051 19328 520 1 2 . 1 1 52 52 CYS N N 52 123.700 123.700 118.293 5.407 19328 521 1 2 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.279 -0.259 19328 522 1 2 . 1 1 52 52 CYS C C 52 176.500 176.500 176.965 -0.465 19328 523 1 2 . 1 1 52 52 CYS CA C 52 63.400 63.400 62.640 0.760 19328 524 1 2 . 1 1 52 52 CYS CB C 52 30.100 30.100 26.088 4.012 19328 525 1 2 . 1 1 53 53 THR N N 53 115.800 115.800 116.356 -0.556 19328 526 1 2 . 1 1 53 53 THR HA H 53 3.860 3.860 3.909 -0.049 19328 527 1 2 . 1 1 53 53 THR C C 53 174.900 174.900 176.205 -1.305 19328 528 1 2 . 1 1 53 53 THR CA C 53 65.200 65.200 66.182 -0.982 19328 529 1 2 . 1 1 53 53 THR CB C 53 69.400 69.400 68.748 0.652 19328 530 1 2 . 1 1 54 54 VAL N N 54 120.900 120.900 119.924 0.976 19328 531 1 2 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.783 0.237 19328 532 1 2 . 1 1 54 54 VAL C C 54 176.600 176.600 177.091 -0.491 19328 533 1 2 . 1 1 54 54 VAL CA C 54 63.200 63.200 64.496 -1.296 19328 534 1 2 . 1 1 54 54 VAL CB C 54 32.400 32.400 31.885 0.515 19328 535 1 2 . 1 1 55 55 LYS N N 55 123.100 123.100 119.308 3.792 19328 536 1 2 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.035 0.175 19328 537 1 2 . 1 1 55 55 LYS C C 55 176.700 176.700 177.911 -1.211 19328 538 1 2 . 1 1 55 55 LYS CA C 55 57.200 57.200 58.770 -1.570 19328 539 1 2 . 1 1 55 55 LYS CB C 55 33.100 33.100 32.730 0.370 19328 540 1 2 . 1 1 56 56 ASP N N 56 119.600 119.600 116.076 3.524 19328 541 1 2 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.283 0.297 19328 542 1 2 . 1 1 56 56 ASP C C 56 175.600 175.600 175.049 0.551 19328 543 1 2 . 1 1 56 56 ASP CA C 56 54.300 54.300 56.216 -1.916 19328 544 1 2 . 1 1 56 56 ASP CB C 56 40.800 40.800 40.105 0.695 19328 545 1 2 . 1 1 57 57 ALA N N 57 124.700 124.700 122.768 1.932 19328 546 1 2 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.704 -0.164 19328 547 1 2 . 1 1 57 57 ALA CA C 57 51.100 51.100 50.116 0.984 19328 548 1 2 . 1 1 57 57 ALA CB C 57 18.200 18.200 19.563 -1.363 19328 549 1 2 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.458 -0.008 19328 550 1 2 . 1 1 58 58 PRO C C 58 177.100 177.100 176.137 0.963 19328 551 1 2 . 1 1 58 58 PRO CA C 58 63.500 63.500 62.444 1.056 19328 552 1 2 . 1 1 58 58 PRO CB C 58 31.900 31.900 30.938 0.962 19328 553 1 2 . 1 1 59 59 SER N N 59 115.500 115.500 118.642 -3.142 19328 554 1 2 . 1 1 59 59 SER HA H 59 4.430 4.430 4.298 0.132 19328 555 1 2 . 1 1 59 59 SER C C 59 174.500 174.500 174.426 0.074 19328 556 1 2 . 1 1 59 59 SER CA C 59 58.300 58.300 59.145 -0.845 19328 557 1 2 . 1 1 59 59 SER CB C 59 63.700 63.700 63.775 -0.075 19328 558 1 2 . 1 1 60 60 ARG N N 60 123.600 123.600 125.893 -2.293 19328 559 1 2 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.059 0.331 19328 560 1 2 . 1 1 60 60 ARG C C 60 175.300 175.300 174.853 0.447 19328 561 1 2 . 1 1 60 60 ARG CA C 60 55.900 55.900 56.664 -0.764 19328 562 1 2 . 1 1 60 60 ARG CB C 60 30.800 30.800 30.604 0.196 19328 563 1 3 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.745 0.075 19328 564 1 3 . 1 1 2 2 HIS C C 2 174.000 174.000 174.046 -0.046 19328 565 1 3 . 1 1 2 2 HIS CA C 2 55.800 55.800 55.398 0.402 19328 566 1 3 . 1 1 2 2 HIS CB C 2 30.400 30.400 29.771 0.629 19328 567 1 3 . 1 1 3 3 MET N N 3 121.100 121.100 118.818 2.282 19328 568 1 3 . 1 1 3 3 MET HA H 3 5.220 5.220 4.165 1.055 19328 569 1 3 . 1 1 3 3 MET C C 3 176.100 176.100 175.549 0.551 19328 570 1 3 . 1 1 3 3 MET CA C 3 55.800 55.800 55.804 -0.004 19328 571 1 3 . 1 1 3 3 MET CB C 3 34.500 34.500 32.618 1.882 19328 572 1 3 . 1 1 4 4 CYS N N 4 129.800 129.800 118.910 10.890 19328 573 1 3 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.142 1.088 19328 574 1 3 . 1 1 4 4 CYS CA C 4 57.000 57.000 57.670 -0.670 19328 575 1 3 . 1 1 4 4 CYS CB C 4 30.200 30.200 26.478 3.722 19328 576 1 3 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.531 0.249 19328 577 1 3 . 1 1 5 5 PRO C C 5 176.800 176.800 175.674 1.126 19328 578 1 3 . 1 1 5 5 PRO CA C 5 63.300 63.300 63.340 -0.040 19328 579 1 3 . 1 1 5 5 PRO CB C 5 30.100 30.100 31.811 -1.711 19328 580 1 3 . 1 1 6 6 ALA N N 6 125.200 125.200 126.497 -1.297 19328 581 1 3 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.616 -0.136 19328 582 1 3 . 1 1 6 6 ALA C C 6 176.800 176.800 177.653 -0.853 19328 583 1 3 . 1 1 6 6 ALA CA C 6 53.300 53.300 50.282 3.018 19328 584 1 3 . 1 1 6 6 ALA CB C 6 20.200 20.200 21.581 -1.381 19328 585 1 3 . 1 1 7 7 VAL N N 7 121.500 121.500 113.980 7.520 19328 586 1 3 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.771 -0.041 19328 587 1 3 . 1 1 7 7 VAL C C 7 177.600 177.600 176.785 0.815 19328 588 1 3 . 1 1 7 7 VAL CA C 7 66.300 66.300 64.701 1.599 19328 589 1 3 . 1 1 7 7 VAL CB C 7 31.300 31.300 31.885 -0.585 19328 590 1 3 . 1 1 8 8 SER N N 8 113.200 113.200 113.016 0.184 19328 591 1 3 . 1 1 8 8 SER HA H 8 4.550 4.550 4.458 0.092 19328 592 1 3 . 1 1 8 8 SER C C 8 172.900 172.900 174.044 -1.144 19328 593 1 3 . 1 1 8 8 SER CA C 8 56.700 56.700 58.728 -2.028 19328 594 1 3 . 1 1 8 8 SER CB C 8 63.300 63.300 64.910 -1.610 19328 595 1 3 . 1 1 9 9 CYS N N 9 126.000 126.000 121.331 4.669 19328 596 1 3 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.388 0.872 19328 597 1 3 . 1 1 9 9 CYS C C 9 177.300 177.300 174.218 3.082 19328 598 1 3 . 1 1 9 9 CYS CA C 9 58.200 58.200 59.106 -0.906 19328 599 1 3 . 1 1 9 9 CYS CB C 9 29.600 29.600 26.649 2.951 19328 600 1 3 . 1 1 10 10 LEU N N 10 135.700 135.700 127.954 7.746 19328 601 1 3 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.374 -0.194 19328 602 1 3 . 1 1 10 10 LEU C C 10 176.300 176.300 176.020 0.280 19328 603 1 3 . 1 1 10 10 LEU CA C 10 55.900 55.900 54.611 1.290 19328 604 1 3 . 1 1 10 10 LEU CB C 10 41.500 41.500 41.394 0.106 19328 605 1 3 . 1 1 11 11 GLN N N 11 120.100 120.100 125.157 -5.057 19328 606 1 3 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.221 -0.351 19328 607 1 3 . 1 1 11 11 GLN CA C 11 55.400 55.400 53.362 2.038 19328 608 1 3 . 1 1 11 11 GLN CB C 11 28.100 28.100 28.659 -0.559 19328 609 1 3 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.447 -0.217 19328 610 1 3 . 1 1 12 12 PRO C C 12 176.700 176.700 176.795 -0.095 19328 611 1 3 . 1 1 12 12 PRO CA C 12 62.700 62.700 62.548 0.152 19328 612 1 3 . 1 1 12 12 PRO CB C 12 31.300 31.300 32.591 -1.291 19328 613 1 3 . 1 1 13 13 GLU N N 13 120.800 120.800 118.482 2.318 19328 614 1 3 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.079 0.261 19328 615 1 3 . 1 1 13 13 GLU C C 13 176.700 176.700 176.323 0.377 19328 616 1 3 . 1 1 13 13 GLU CA C 13 55.600 55.600 57.327 -1.727 19328 617 1 3 . 1 1 13 13 GLU CB C 13 32.100 32.100 29.669 2.431 19328 618 1 3 . 1 1 14 14 GLY N N 14 109.000 109.000 108.515 0.485 19328 619 1 3 . 1 1 14 14 GLY C C 14 174.100 174.100 172.994 1.106 19328 620 1 3 . 1 1 14 14 GLY CA C 14 44.800 44.800 44.779 0.021 19328 621 1 3 . 1 1 15 15 ASP N N 15 118.800 118.800 124.499 -5.699 19328 622 1 3 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.736 -0.056 19328 623 1 3 . 1 1 15 15 ASP C C 15 177.000 177.000 176.614 0.386 19328 624 1 3 . 1 1 15 15 ASP CA C 15 55.500 55.500 54.483 1.017 19328 625 1 3 . 1 1 15 15 ASP CB C 15 41.400 41.400 40.436 0.964 19328 626 1 3 . 1 1 16 16 GLU N N 16 120.100 120.100 120.381 -0.281 19328 627 1 3 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.341 0.219 19328 628 1 3 . 1 1 16 16 GLU C C 16 175.400 175.400 177.085 -1.685 19328 629 1 3 . 1 1 16 16 GLU CA C 16 55.600 55.600 56.396 -0.796 19328 630 1 3 . 1 1 16 16 GLU CB C 16 29.200 29.200 29.220 -0.020 19328 631 1 3 . 1 1 17 17 VAL N N 17 120.100 120.100 119.125 0.975 19328 632 1 3 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.084 -0.124 19328 633 1 3 . 1 1 17 17 VAL C C 17 174.500 174.500 176.248 -1.748 19328 634 1 3 . 1 1 17 17 VAL CA C 17 61.600 61.600 62.010 -0.410 19328 635 1 3 . 1 1 17 17 VAL CB C 17 33.200 33.200 32.728 0.472 19328 636 1 3 . 1 1 18 18 ASP N N 18 122.700 122.700 123.239 -0.539 19328 637 1 3 . 1 1 18 18 ASP HA H 18 5.130 5.130 4.877 0.253 19328 638 1 3 . 1 1 18 18 ASP C C 18 176.900 176.900 175.845 1.055 19328 639 1 3 . 1 1 18 18 ASP CA C 18 54.200 54.200 54.152 0.048 19328 640 1 3 . 1 1 18 18 ASP CB C 18 42.500 42.500 42.600 -0.100 19328 641 1 3 . 1 1 19 19 TRP N N 19 124.200 124.200 121.237 2.963 19328 642 1 3 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.306 0.334 19328 643 1 3 . 1 1 19 19 TRP C C 19 176.200 176.200 175.909 0.291 19328 644 1 3 . 1 1 19 19 TRP CA C 19 57.300 57.300 55.154 2.146 19328 645 1 3 . 1 1 19 19 TRP CB C 19 34.100 34.100 32.977 1.123 19328 646 1 3 . 1 1 20 20 VAL N N 20 121.500 121.500 117.772 3.728 19328 647 1 3 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.132 0.668 19328 648 1 3 . 1 1 20 20 VAL C C 20 170.800 170.800 173.232 -2.432 19328 649 1 3 . 1 1 20 20 VAL CA C 20 60.600 60.600 60.588 0.012 19328 650 1 3 . 1 1 20 20 VAL CB C 20 35.300 35.300 35.642 -0.343 19328 651 1 3 . 1 1 21 21 GLN N N 21 131.300 131.300 126.269 5.031 19328 652 1 3 . 1 1 21 21 GLN HA H 21 4.480 4.480 3.587 0.893 19328 653 1 3 . 1 1 21 21 GLN C C 21 175.300 175.300 173.893 1.407 19328 654 1 3 . 1 1 21 21 GLN CA C 21 53.600 53.600 56.462 -2.862 19328 655 1 3 . 1 1 21 21 GLN CB C 21 28.300 28.300 28.733 -0.433 19328 656 1 3 . 1 1 22 22 CYS N N 22 127.400 127.400 124.819 2.581 19328 657 1 3 . 1 1 22 22 CYS HA H 22 4.500 4.500 4.977 -0.477 19328 658 1 3 . 1 1 22 22 CYS C C 22 176.100 176.100 175.852 0.248 19328 659 1 3 . 1 1 22 22 CYS CA C 22 60.600 60.600 57.364 3.236 19328 660 1 3 . 1 1 22 22 CYS CB C 22 31.300 31.300 27.262 4.038 19328 661 1 3 . 1 1 23 23 ASP N N 23 129.200 129.200 122.606 6.594 19328 662 1 3 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.485 0.325 19328 663 1 3 . 1 1 23 23 ASP C C 23 176.700 176.700 177.428 -0.728 19328 664 1 3 . 1 1 23 23 ASP CA C 23 55.300 55.300 56.306 -1.006 19328 665 1 3 . 1 1 23 23 ASP CB C 23 41.300 41.300 40.123 1.177 19328 666 1 3 . 1 1 24 24 GLY N N 24 116.300 116.300 109.544 6.756 19328 667 1 3 . 1 1 24 24 GLY C C 24 173.700 173.700 174.823 -1.123 19328 668 1 3 . 1 1 24 24 GLY CA C 24 43.700 43.700 46.418 -2.718 19328 669 1 3 . 1 1 25 25 SER N N 25 116.500 116.500 113.776 2.724 19328 670 1 3 . 1 1 25 25 SER HA H 25 4.180 4.180 4.850 -0.670 19328 671 1 3 . 1 1 25 25 SER C C 25 176.600 176.600 173.254 3.346 19328 672 1 3 . 1 1 25 25 SER CA C 25 61.000 61.000 58.142 2.857 19328 673 1 3 . 1 1 25 25 SER CB C 25 63.700 63.700 63.073 0.627 19328 674 1 3 . 1 1 26 26 CYS N N 26 122.000 122.000 120.019 1.981 19328 675 1 3 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.629 -0.229 19328 676 1 3 . 1 1 26 26 CYS C C 26 176.500 176.500 174.002 2.498 19328 677 1 3 . 1 1 26 26 CYS CA C 26 60.800 60.800 58.962 1.839 19328 678 1 3 . 1 1 26 26 CYS CB C 26 29.600 29.600 29.437 0.163 19328 679 1 3 . 1 1 27 27 ASN N N 27 117.000 117.000 116.590 0.410 19328 680 1 3 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.529 0.291 19328 681 1 3 . 1 1 27 27 ASN C C 27 174.900 174.900 173.750 1.150 19328 682 1 3 . 1 1 27 27 ASN CA C 27 54.800 54.800 54.728 0.072 19328 683 1 3 . 1 1 27 27 ASN CB C 27 39.500 39.500 36.903 2.597 19328 684 1 3 . 1 1 28 28 GLN N N 28 120.700 120.700 114.387 6.313 19328 685 1 3 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.756 -0.396 19328 686 1 3 . 1 1 28 28 GLN C C 28 174.600 174.600 174.183 0.417 19328 687 1 3 . 1 1 28 28 GLN CA C 28 57.100 57.100 54.346 2.754 19328 688 1 3 . 1 1 28 28 GLN CB C 28 31.500 31.500 31.329 0.171 19328 689 1 3 . 1 1 29 29 TRP N N 29 119.600 119.600 119.583 0.017 19328 690 1 3 . 1 1 29 29 TRP HA H 29 4.950 4.950 4.832 0.118 19328 691 1 3 . 1 1 29 29 TRP C C 29 175.400 175.400 175.354 0.046 19328 692 1 3 . 1 1 29 29 TRP CA C 29 57.100 57.100 57.280 -0.180 19328 693 1 3 . 1 1 29 29 TRP CB C 29 30.500 30.500 30.814 -0.314 19328 694 1 3 . 1 1 30 30 PHE N N 30 119.600 119.600 116.767 2.833 19328 695 1 3 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.232 0.598 19328 696 1 3 . 1 1 30 30 PHE C C 30 176.600 176.600 174.584 2.016 19328 697 1 3 . 1 1 30 30 PHE CA C 30 56.400 56.400 55.690 0.710 19328 698 1 3 . 1 1 30 30 PHE CB C 30 43.000 43.000 42.648 0.352 19328 699 1 3 . 1 1 31 31 HIS N N 31 123.600 123.600 119.460 4.140 19328 700 1 3 . 1 1 31 31 HIS HA H 31 4.230 4.230 4.208 0.022 19328 701 1 3 . 1 1 31 31 HIS C C 31 177.400 177.400 176.422 0.978 19328 702 1 3 . 1 1 31 31 HIS CA C 31 57.100 57.100 56.185 0.915 19328 703 1 3 . 1 1 31 31 HIS CB C 31 29.800 29.800 29.372 0.428 19328 704 1 3 . 1 1 32 32 GLN N N 32 124.100 124.100 122.224 1.876 19328 705 1 3 . 1 1 32 32 GLN HA H 32 3.520 3.520 3.999 -0.479 19328 706 1 3 . 1 1 32 32 GLN C C 32 179.100 179.100 178.052 1.048 19328 707 1 3 . 1 1 32 32 GLN CA C 32 60.600 60.600 59.641 0.959 19328 708 1 3 . 1 1 32 32 GLN CB C 32 26.900 26.900 28.779 -1.879 19328 709 1 3 . 1 1 33 33 VAL N N 33 112.800 112.800 113.980 -1.180 19328 710 1 3 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.931 0.139 19328 711 1 3 . 1 1 33 33 VAL C C 33 178.200 178.200 176.616 1.584 19328 712 1 3 . 1 1 33 33 VAL CA C 33 64.400 64.400 64.889 -0.489 19328 713 1 3 . 1 1 33 33 VAL CB C 33 31.600 31.600 30.738 0.862 19328 714 1 3 . 1 1 34 34 CYS N N 34 120.900 120.900 118.583 2.317 19328 715 1 3 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.367 -0.287 19328 716 1 3 . 1 1 34 34 CYS C C 34 177.100 177.100 176.158 0.942 19328 717 1 3 . 1 1 34 34 CYS CA C 34 62.500 62.500 61.482 1.018 19328 718 1 3 . 1 1 34 34 CYS CB C 34 29.500 29.500 27.334 2.166 19328 719 1 3 . 1 1 35 35 VAL N N 35 106.500 106.500 113.860 -7.360 19328 720 1 3 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.182 0.378 19328 721 1 3 . 1 1 35 35 VAL C C 35 176.200 176.200 176.634 -0.434 19328 722 1 3 . 1 1 35 35 VAL CA C 35 60.100 60.100 61.432 -1.332 19328 723 1 3 . 1 1 35 35 VAL CB C 35 31.800 31.800 31.918 -0.118 19328 724 1 3 . 1 1 36 36 GLY N N 36 109.800 109.800 108.825 0.975 19328 725 1 3 . 1 1 36 36 GLY C C 36 174.600 174.600 174.646 -0.046 19328 726 1 3 . 1 1 36 36 GLY CA C 36 46.900 46.900 45.971 0.929 19328 727 1 3 . 1 1 37 37 VAL N N 37 119.000 119.000 119.822 -0.822 19328 728 1 3 . 1 1 37 37 VAL HA H 37 4.330 4.330 3.974 0.356 19328 729 1 3 . 1 1 37 37 VAL C C 37 174.000 174.000 176.417 -2.417 19328 730 1 3 . 1 1 37 37 VAL CA C 37 60.800 60.800 62.625 -1.825 19328 731 1 3 . 1 1 37 37 VAL CB C 37 34.200 34.200 32.595 1.605 19328 732 1 3 . 1 1 38 38 SER N N 38 122.000 122.000 124.114 -2.114 19328 733 1 3 . 1 1 38 38 SER HA H 38 4.900 4.900 4.612 0.288 19328 734 1 3 . 1 1 38 38 SER C C 38 174.100 174.100 174.212 -0.112 19328 735 1 3 . 1 1 38 38 SER CA C 38 55.500 55.500 57.894 -2.394 19328 736 1 3 . 1 1 38 38 SER CB C 38 63.800 63.800 63.069 0.731 19328 737 1 3 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.274 0.086 19328 738 1 3 . 1 1 39 39 PRO C C 39 179.300 179.300 178.685 0.615 19328 739 1 3 . 1 1 39 39 PRO CA C 39 65.600 65.600 66.160 -0.560 19328 740 1 3 . 1 1 39 39 PRO CB C 39 31.900 31.900 31.983 -0.083 19328 741 1 3 . 1 1 40 40 GLU N N 40 116.600 116.600 116.521 0.079 19328 742 1 3 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.061 0.099 19328 743 1 3 . 1 1 40 40 GLU C C 40 178.500 178.500 178.236 0.264 19328 744 1 3 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.173 -0.073 19328 745 1 3 . 1 1 40 40 GLU CB C 40 29.200 29.200 28.943 0.257 19328 746 1 3 . 1 1 41 41 MET N N 41 119.300 119.300 118.712 0.588 19328 747 1 3 . 1 1 41 41 MET HA H 41 4.260 4.260 4.373 -0.113 19328 748 1 3 . 1 1 41 41 MET C C 41 178.200 178.200 178.725 -0.525 19328 749 1 3 . 1 1 41 41 MET CA C 41 57.300 57.300 58.981 -1.681 19328 750 1 3 . 1 1 41 41 MET CB C 41 33.400 33.400 32.587 0.813 19328 751 1 3 . 1 1 42 42 ALA N N 42 121.900 121.900 119.969 1.931 19328 752 1 3 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.078 0.062 19328 753 1 3 . 1 1 42 42 ALA C C 42 179.100 179.100 178.812 0.288 19328 754 1 3 . 1 1 42 42 ALA CA C 42 54.400 54.400 54.645 -0.244 19328 755 1 3 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.251 0.349 19328 756 1 3 . 1 1 43 43 GLU N N 43 115.100 115.100 117.333 -2.233 19328 757 1 3 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.153 0.177 19328 758 1 3 . 1 1 43 43 GLU C C 43 177.600 177.600 178.138 -0.538 19328 759 1 3 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.626 -1.126 19328 760 1 3 . 1 1 43 43 GLU CB C 43 30.200 30.200 30.120 0.080 19328 761 1 3 . 1 1 44 44 LYS N N 44 117.600 117.600 117.103 0.497 19328 762 1 3 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.453 -0.123 19328 763 1 3 . 1 1 44 44 LYS C C 44 176.200 176.200 175.852 0.348 19328 764 1 3 . 1 1 44 44 LYS CA C 44 57.500 57.500 57.168 0.332 19328 765 1 3 . 1 1 44 44 LYS CB C 44 34.400 34.400 34.328 0.072 19328 766 1 3 . 1 1 45 45 GLU N N 45 118.200 118.200 115.855 2.345 19328 767 1 3 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.548 0.082 19328 768 1 3 . 1 1 45 45 GLU C C 45 175.400 175.400 174.189 1.211 19328 769 1 3 . 1 1 45 45 GLU CA C 45 54.900 54.900 56.110 -1.210 19328 770 1 3 . 1 1 45 45 GLU CB C 45 32.020 32.020 31.695 0.325 19328 771 1 3 . 1 1 46 46 ASP N N 46 121.600 121.600 118.145 3.455 19328 772 1 3 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.188 0.592 19328 773 1 3 . 1 1 46 46 ASP C C 46 175.900 175.900 174.220 1.680 19328 774 1 3 . 1 1 46 46 ASP CA C 46 54.200 54.200 54.999 -0.799 19328 775 1 3 . 1 1 46 46 ASP CB C 46 41.000 41.000 40.303 0.697 19328 776 1 3 . 1 1 47 47 TYR N N 47 124.600 124.600 110.947 13.653 19328 777 1 3 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.606 -0.056 19328 778 1 3 . 1 1 47 47 TYR C C 47 172.200 172.200 174.707 -2.507 19328 779 1 3 . 1 1 47 47 TYR CA C 47 58.000 58.000 55.304 2.696 19328 780 1 3 . 1 1 47 47 TYR CB C 47 39.800 39.800 38.459 1.341 19328 781 1 3 . 1 1 48 48 ILE N N 48 128.000 128.000 122.454 5.546 19328 782 1 3 . 1 1 48 48 ILE HA H 48 4.470 4.470 3.892 0.578 19328 783 1 3 . 1 1 48 48 ILE C C 48 174.800 174.800 176.115 -1.315 19328 784 1 3 . 1 1 48 48 ILE CA C 48 58.600 58.600 61.072 -2.473 19328 785 1 3 . 1 1 48 48 ILE CB C 48 38.300 38.300 35.986 2.314 19328 786 1 3 . 1 1 49 49 CYS N N 49 130.100 130.100 125.172 4.928 19328 787 1 3 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.362 -0.202 19328 788 1 3 . 1 1 49 49 CYS C C 49 176.400 176.400 176.137 0.263 19328 789 1 3 . 1 1 49 49 CYS CA C 49 58.500 58.500 57.861 0.639 19328 790 1 3 . 1 1 49 49 CYS CB C 49 31.800 31.800 28.385 3.415 19328 791 1 3 . 1 1 50 50 VAL N N 50 116.100 116.100 121.453 -5.353 19328 792 1 3 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.537 0.263 19328 793 1 3 . 1 1 50 50 VAL C C 50 177.900 177.900 177.897 0.003 19328 794 1 3 . 1 1 50 50 VAL CA C 50 65.300 65.300 67.144 -1.843 19328 795 1 3 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.587 0.213 19328 796 1 3 . 1 1 51 51 ARG N N 51 121.800 121.800 119.372 2.428 19328 797 1 3 . 1 1 51 51 ARG HA H 51 4.240 4.240 3.937 0.303 19328 798 1 3 . 1 1 51 51 ARG C C 51 178.900 178.900 178.869 0.031 19328 799 1 3 . 1 1 51 51 ARG CA C 51 59.000 59.000 59.288 -0.288 19328 800 1 3 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.547 0.753 19328 801 1 3 . 1 1 52 52 CYS N N 52 123.700 123.700 118.061 5.639 19328 802 1 3 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.272 -0.252 19328 803 1 3 . 1 1 52 52 CYS C C 52 176.500 176.500 177.257 -0.757 19328 804 1 3 . 1 1 52 52 CYS CA C 52 63.400 63.400 62.823 0.577 19328 805 1 3 . 1 1 52 52 CYS CB C 52 30.100 30.100 26.013 4.087 19328 806 1 3 . 1 1 53 53 THR N N 53 115.800 115.800 115.945 -0.145 19328 807 1 3 . 1 1 53 53 THR HA H 53 3.860 3.860 4.023 -0.163 19328 808 1 3 . 1 1 53 53 THR C C 53 174.900 174.900 175.729 -0.829 19328 809 1 3 . 1 1 53 53 THR CA C 53 65.200 65.200 66.255 -1.055 19328 810 1 3 . 1 1 53 53 THR CB C 53 69.400 69.400 68.553 0.847 19328 811 1 3 . 1 1 54 54 VAL N N 54 120.900 120.900 118.421 2.479 19328 812 1 3 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.696 0.324 19328 813 1 3 . 1 1 54 54 VAL C C 54 176.600 176.600 177.230 -0.630 19328 814 1 3 . 1 1 54 54 VAL CA C 54 63.200 63.200 65.201 -2.001 19328 815 1 3 . 1 1 54 54 VAL CB C 54 32.400 32.400 31.355 1.045 19328 816 1 3 . 1 1 55 55 LYS N N 55 123.100 123.100 118.482 4.618 19328 817 1 3 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.146 0.064 19328 818 1 3 . 1 1 55 55 LYS C C 55 176.700 176.700 176.738 -0.038 19328 819 1 3 . 1 1 55 55 LYS CA C 55 57.200 57.200 58.398 -1.198 19328 820 1 3 . 1 1 55 55 LYS CB C 55 33.100 33.100 33.080 0.020 19328 821 1 3 . 1 1 56 56 ASP N N 56 119.600 119.600 115.761 3.839 19328 822 1 3 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.657 -0.077 19328 823 1 3 . 1 1 56 56 ASP C C 56 175.600 175.600 174.854 0.746 19328 824 1 3 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.390 -0.090 19328 825 1 3 . 1 1 56 56 ASP CB C 56 40.800 40.800 43.552 -2.752 19328 826 1 3 . 1 1 57 57 ALA N N 57 124.700 124.700 123.767 0.933 19328 827 1 3 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.104 0.436 19328 828 1 3 . 1 1 57 57 ALA CA C 57 51.100 51.100 52.206 -1.106 19328 829 1 3 . 1 1 57 57 ALA CB C 57 18.200 18.200 18.020 0.180 19328 830 1 3 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.399 0.051 19328 831 1 3 . 1 1 58 58 PRO C C 58 177.100 177.100 176.226 0.874 19328 832 1 3 . 1 1 58 58 PRO CA C 58 63.500 63.500 62.934 0.566 19328 833 1 3 . 1 1 58 58 PRO CB C 58 31.900 31.900 32.034 -0.134 19328 834 1 3 . 1 1 59 59 SER N N 59 115.500 115.500 117.663 -2.163 19328 835 1 3 . 1 1 59 59 SER HA H 59 4.430 4.430 4.503 -0.073 19328 836 1 3 . 1 1 59 59 SER C C 59 174.500 174.500 174.332 0.168 19328 837 1 3 . 1 1 59 59 SER CA C 59 58.300 58.300 58.447 -0.147 19328 838 1 3 . 1 1 59 59 SER CB C 59 63.700 63.700 62.485 1.215 19328 839 1 3 . 1 1 60 60 ARG N N 60 123.600 123.600 123.328 0.272 19328 840 1 3 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.022 0.368 19328 841 1 3 . 1 1 60 60 ARG C C 60 175.300 175.300 174.918 0.382 19328 842 1 3 . 1 1 60 60 ARG CA C 60 55.900 55.900 56.965 -1.065 19328 843 1 3 . 1 1 60 60 ARG CB C 60 30.800 30.800 29.360 1.440 19328 844 1 4 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.900 -0.080 19328 845 1 4 . 1 1 2 2 HIS C C 2 174.000 174.000 173.568 0.432 19328 846 1 4 . 1 1 2 2 HIS CA C 2 55.800 55.800 55.888 -0.088 19328 847 1 4 . 1 1 2 2 HIS CB C 2 30.400 30.400 30.758 -0.358 19328 848 1 4 . 1 1 3 3 MET N N 3 121.100 121.100 123.900 -2.800 19328 849 1 4 . 1 1 3 3 MET HA H 3 5.220 5.220 4.609 0.611 19328 850 1 4 . 1 1 3 3 MET C C 3 176.100 176.100 175.549 0.551 19328 851 1 4 . 1 1 3 3 MET CA C 3 55.800 55.800 54.522 1.278 19328 852 1 4 . 1 1 3 3 MET CB C 3 34.500 34.500 31.618 2.882 19328 853 1 4 . 1 1 4 4 CYS N N 4 129.800 129.800 115.749 14.051 19328 854 1 4 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.263 0.967 19328 855 1 4 . 1 1 4 4 CYS CA C 4 57.000 57.000 57.601 -0.601 19328 856 1 4 . 1 1 4 4 CYS CB C 4 30.200 30.200 26.105 4.095 19328 857 1 4 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.346 0.434 19328 858 1 4 . 1 1 5 5 PRO C C 5 176.800 176.800 175.450 1.350 19328 859 1 4 . 1 1 5 5 PRO CA C 5 63.300 63.300 63.249 0.051 19328 860 1 4 . 1 1 5 5 PRO CB C 5 30.100 30.100 30.394 -0.294 19328 861 1 4 . 1 1 6 6 ALA N N 6 125.200 125.200 123.108 2.092 19328 862 1 4 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.592 -0.112 19328 863 1 4 . 1 1 6 6 ALA C C 6 176.800 176.800 177.871 -1.071 19328 864 1 4 . 1 1 6 6 ALA CA C 6 53.300 53.300 52.164 1.136 19328 865 1 4 . 1 1 6 6 ALA CB C 6 20.200 20.200 20.893 -0.693 19328 866 1 4 . 1 1 7 7 VAL N N 7 121.500 121.500 120.912 0.588 19328 867 1 4 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.951 -0.221 19328 868 1 4 . 1 1 7 7 VAL C C 7 177.600 177.600 176.093 1.507 19328 869 1 4 . 1 1 7 7 VAL CA C 7 66.300 66.300 63.770 2.530 19328 870 1 4 . 1 1 7 7 VAL CB C 7 31.300 31.300 32.240 -0.940 19328 871 1 4 . 1 1 8 8 SER N N 8 113.200 113.200 114.814 -1.614 19328 872 1 4 . 1 1 8 8 SER HA H 8 4.550 4.550 4.498 0.052 19328 873 1 4 . 1 1 8 8 SER C C 8 172.900 172.900 174.045 -1.145 19328 874 1 4 . 1 1 8 8 SER CA C 8 56.700 56.700 58.075 -1.375 19328 875 1 4 . 1 1 8 8 SER CB C 8 63.300 63.300 62.300 1.000 19328 876 1 4 . 1 1 9 9 CYS N N 9 126.000 126.000 121.913 4.087 19328 877 1 4 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.476 0.784 19328 878 1 4 . 1 1 9 9 CYS C C 9 177.300 177.300 176.073 1.227 19328 879 1 4 . 1 1 9 9 CYS CA C 9 58.200 58.200 59.540 -1.340 19328 880 1 4 . 1 1 9 9 CYS CB C 9 29.600 29.600 25.857 3.744 19328 881 1 4 . 1 1 10 10 LEU N N 10 135.700 135.700 128.256 7.444 19328 882 1 4 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.191 -0.011 19328 883 1 4 . 1 1 10 10 LEU C C 10 176.300 176.300 177.095 -0.795 19328 884 1 4 . 1 1 10 10 LEU CA C 10 55.900 55.900 55.514 0.386 19328 885 1 4 . 1 1 10 10 LEU CB C 10 41.500 41.500 42.126 -0.626 19328 886 1 4 . 1 1 11 11 GLN N N 11 120.100 120.100 115.305 4.795 19328 887 1 4 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.050 -0.180 19328 888 1 4 . 1 1 11 11 GLN CA C 11 55.400 55.400 55.356 0.044 19328 889 1 4 . 1 1 11 11 GLN CB C 11 28.100 28.100 27.008 1.092 19328 890 1 4 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.620 -0.390 19328 891 1 4 . 1 1 12 12 PRO C C 12 176.700 176.700 177.308 -0.608 19328 892 1 4 . 1 1 12 12 PRO CA C 12 62.700 62.700 63.009 -0.309 19328 893 1 4 . 1 1 12 12 PRO CB C 12 31.300 31.300 32.457 -1.157 19328 894 1 4 . 1 1 13 13 GLU N N 13 120.800 120.800 120.879 -0.079 19328 895 1 4 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.184 0.156 19328 896 1 4 . 1 1 13 13 GLU C C 13 176.700 176.700 177.101 -0.401 19328 897 1 4 . 1 1 13 13 GLU CA C 13 55.600 55.600 56.794 -1.194 19328 898 1 4 . 1 1 13 13 GLU CB C 13 32.100 32.100 29.542 2.558 19328 899 1 4 . 1 1 14 14 GLY N N 14 109.000 109.000 106.288 2.712 19328 900 1 4 . 1 1 14 14 GLY C C 14 174.100 174.100 173.865 0.235 19328 901 1 4 . 1 1 14 14 GLY CA C 14 44.800 44.800 45.005 -0.205 19328 902 1 4 . 1 1 15 15 ASP N N 15 118.800 118.800 120.521 -1.721 19328 903 1 4 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.317 0.363 19328 904 1 4 . 1 1 15 15 ASP C C 15 177.000 177.000 175.412 1.588 19328 905 1 4 . 1 1 15 15 ASP CA C 15 55.500 55.500 55.162 0.338 19328 906 1 4 . 1 1 15 15 ASP CB C 15 41.400 41.400 40.348 1.052 19328 907 1 4 . 1 1 16 16 GLU N N 16 120.100 120.100 116.161 3.939 19328 908 1 4 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.029 0.531 19328 909 1 4 . 1 1 16 16 GLU C C 16 175.400 175.400 175.038 0.362 19328 910 1 4 . 1 1 16 16 GLU CA C 16 55.600 55.600 56.963 -1.363 19328 911 1 4 . 1 1 16 16 GLU CB C 16 29.200 29.200 28.832 0.368 19328 912 1 4 . 1 1 17 17 VAL N N 17 120.100 120.100 116.968 3.132 19328 913 1 4 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.492 -0.532 19328 914 1 4 . 1 1 17 17 VAL C C 17 174.500 174.500 175.479 -0.979 19328 915 1 4 . 1 1 17 17 VAL CA C 17 61.600 61.600 61.332 0.268 19328 916 1 4 . 1 1 17 17 VAL CB C 17 33.200 33.200 33.117 0.083 19328 917 1 4 . 1 1 18 18 ASP N N 18 122.700 122.700 126.864 -4.164 19328 918 1 4 . 1 1 18 18 ASP HA H 18 5.130 5.130 4.842 0.288 19328 919 1 4 . 1 1 18 18 ASP C C 18 176.900 176.900 175.464 1.436 19328 920 1 4 . 1 1 18 18 ASP CA C 18 54.200 54.200 54.079 0.121 19328 921 1 4 . 1 1 18 18 ASP CB C 18 42.500 42.500 43.060 -0.560 19328 922 1 4 . 1 1 19 19 TRP N N 19 124.200 124.200 120.273 3.927 19328 923 1 4 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.345 0.295 19328 924 1 4 . 1 1 19 19 TRP C C 19 176.200 176.200 175.968 0.232 19328 925 1 4 . 1 1 19 19 TRP CA C 19 57.300 57.300 55.743 1.557 19328 926 1 4 . 1 1 19 19 TRP CB C 19 34.100 34.100 32.810 1.290 19328 927 1 4 . 1 1 20 20 VAL N N 20 121.500 121.500 119.584 1.916 19328 928 1 4 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.246 0.554 19328 929 1 4 . 1 1 20 20 VAL C C 20 170.800 170.800 173.135 -2.335 19328 930 1 4 . 1 1 20 20 VAL CA C 20 60.600 60.600 60.511 0.089 19328 931 1 4 . 1 1 20 20 VAL CB C 20 35.300 35.300 36.119 -0.819 19328 932 1 4 . 1 1 21 21 GLN N N 21 131.300 131.300 126.214 5.086 19328 933 1 4 . 1 1 21 21 GLN HA H 21 4.480 4.480 4.398 0.082 19328 934 1 4 . 1 1 21 21 GLN C C 21 175.300 175.300 175.030 0.270 19328 935 1 4 . 1 1 21 21 GLN CA C 21 53.600 53.600 54.361 -0.761 19328 936 1 4 . 1 1 21 21 GLN CB C 21 28.300 28.300 29.245 -0.945 19328 937 1 4 . 1 1 22 22 CYS N N 22 127.400 127.400 127.804 -0.404 19328 938 1 4 . 1 1 22 22 CYS HA H 22 4.500 4.500 4.570 -0.070 19328 939 1 4 . 1 1 22 22 CYS C C 22 176.100 176.100 175.665 0.435 19328 940 1 4 . 1 1 22 22 CYS CA C 22 60.600 60.600 60.492 0.108 19328 941 1 4 . 1 1 22 22 CYS CB C 22 31.300 31.300 28.552 2.748 19328 942 1 4 . 1 1 23 23 ASP N N 23 129.200 129.200 125.756 3.444 19328 943 1 4 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.600 0.210 19328 944 1 4 . 1 1 23 23 ASP C C 23 176.700 176.700 176.830 -0.130 19328 945 1 4 . 1 1 23 23 ASP CA C 23 55.300 55.300 56.184 -0.884 19328 946 1 4 . 1 1 23 23 ASP CB C 23 41.300 41.300 41.589 -0.289 19328 947 1 4 . 1 1 24 24 GLY N N 24 116.300 116.300 108.874 7.426 19328 948 1 4 . 1 1 24 24 GLY C C 24 173.700 173.700 175.187 -1.487 19328 949 1 4 . 1 1 24 24 GLY CA C 24 43.700 43.700 47.117 -3.417 19328 950 1 4 . 1 1 25 25 SER N N 25 116.500 116.500 118.313 -1.813 19328 951 1 4 . 1 1 25 25 SER HA H 25 4.180 4.180 4.649 -0.469 19328 952 1 4 . 1 1 25 25 SER C C 25 176.600 176.600 173.858 2.742 19328 953 1 4 . 1 1 25 25 SER CA C 25 61.000 61.000 58.271 2.729 19328 954 1 4 . 1 1 25 25 SER CB C 25 63.700 63.700 64.118 -0.418 19328 955 1 4 . 1 1 26 26 CYS N N 26 122.000 122.000 118.480 3.520 19328 956 1 4 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.738 -0.338 19328 957 1 4 . 1 1 26 26 CYS C C 26 176.500 176.500 173.820 2.680 19328 958 1 4 . 1 1 26 26 CYS CA C 26 60.800 60.800 57.518 3.282 19328 959 1 4 . 1 1 26 26 CYS CB C 26 29.600 29.600 27.964 1.636 19328 960 1 4 . 1 1 27 27 ASN N N 27 117.000 117.000 122.181 -5.181 19328 961 1 4 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.629 0.191 19328 962 1 4 . 1 1 27 27 ASN C C 27 174.900 174.900 174.636 0.264 19328 963 1 4 . 1 1 27 27 ASN CA C 27 54.800 54.800 54.083 0.717 19328 964 1 4 . 1 1 27 27 ASN CB C 27 39.500 39.500 37.479 2.021 19328 965 1 4 . 1 1 28 28 GLN N N 28 120.700 120.700 121.583 -0.883 19328 966 1 4 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.576 -0.216 19328 967 1 4 . 1 1 28 28 GLN C C 28 174.600 174.600 174.485 0.115 19328 968 1 4 . 1 1 28 28 GLN CA C 28 57.100 57.100 54.063 3.037 19328 969 1 4 . 1 1 28 28 GLN CB C 28 31.500 31.500 31.181 0.319 19328 970 1 4 . 1 1 29 29 TRP N N 29 119.600 119.600 121.571 -1.971 19328 971 1 4 . 1 1 29 29 TRP HA H 29 4.950 4.950 4.975 -0.025 19328 972 1 4 . 1 1 29 29 TRP C C 29 175.400 175.400 176.225 -0.825 19328 973 1 4 . 1 1 29 29 TRP CA C 29 57.100 57.100 57.410 -0.310 19328 974 1 4 . 1 1 29 29 TRP CB C 29 30.500 30.500 29.180 1.320 19328 975 1 4 . 1 1 30 30 PHE N N 30 119.600 119.600 122.786 -3.186 19328 976 1 4 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.210 0.620 19328 977 1 4 . 1 1 30 30 PHE C C 30 176.600 176.600 174.950 1.650 19328 978 1 4 . 1 1 30 30 PHE CA C 30 56.400 56.400 55.798 0.602 19328 979 1 4 . 1 1 30 30 PHE CB C 30 43.000 43.000 41.514 1.486 19328 980 1 4 . 1 1 31 31 HIS N N 31 123.600 123.600 118.813 4.787 19328 981 1 4 . 1 1 31 31 HIS HA H 31 4.230 4.230 4.224 0.006 19328 982 1 4 . 1 1 31 31 HIS C C 31 177.400 177.400 176.274 1.126 19328 983 1 4 . 1 1 31 31 HIS CA C 31 57.100 57.100 55.144 1.956 19328 984 1 4 . 1 1 31 31 HIS CB C 31 29.800 29.800 29.414 0.386 19328 985 1 4 . 1 1 32 32 GLN N N 32 124.100 124.100 120.319 3.781 19328 986 1 4 . 1 1 32 32 GLN HA H 32 3.520 3.520 4.006 -0.486 19328 987 1 4 . 1 1 32 32 GLN C C 32 179.100 179.100 177.623 1.477 19328 988 1 4 . 1 1 32 32 GLN CA C 32 60.600 60.600 59.028 1.572 19328 989 1 4 . 1 1 32 32 GLN CB C 32 26.900 26.900 29.010 -2.110 19328 990 1 4 . 1 1 33 33 VAL N N 33 112.800 112.800 111.660 1.140 19328 991 1 4 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.988 0.082 19328 992 1 4 . 1 1 33 33 VAL C C 33 178.200 178.200 176.520 1.680 19328 993 1 4 . 1 1 33 33 VAL CA C 33 64.400 64.400 63.942 0.458 19328 994 1 4 . 1 1 33 33 VAL CB C 33 31.600 31.600 31.316 0.284 19328 995 1 4 . 1 1 34 34 CYS N N 34 120.900 120.900 117.303 3.597 19328 996 1 4 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.471 -0.391 19328 997 1 4 . 1 1 34 34 CYS C C 34 177.100 177.100 175.711 1.389 19328 998 1 4 . 1 1 34 34 CYS CA C 34 62.500 62.500 60.423 2.077 19328 999 1 4 . 1 1 34 34 CYS CB C 34 29.500 29.500 26.991 2.509 19328 1000 1 4 . 1 1 35 35 VAL N N 35 106.500 106.500 110.982 -4.482 19328 1001 1 4 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.238 0.322 19328 1002 1 4 . 1 1 35 35 VAL C C 35 176.200 176.200 176.472 -0.272 19328 1003 1 4 . 1 1 35 35 VAL CA C 35 60.100 60.100 61.445 -1.345 19328 1004 1 4 . 1 1 35 35 VAL CB C 35 31.800 31.800 32.801 -1.002 19328 1005 1 4 . 1 1 36 36 GLY N N 36 109.800 109.800 108.719 1.081 19328 1006 1 4 . 1 1 36 36 GLY C C 36 174.600 174.600 174.589 0.011 19328 1007 1 4 . 1 1 36 36 GLY CA C 36 46.900 46.900 45.506 1.394 19328 1008 1 4 . 1 1 37 37 VAL N N 37 119.000 119.000 120.407 -1.407 19328 1009 1 4 . 1 1 37 37 VAL HA H 37 4.330 4.330 3.994 0.336 19328 1010 1 4 . 1 1 37 37 VAL C C 37 174.000 174.000 175.554 -1.554 19328 1011 1 4 . 1 1 37 37 VAL CA C 37 60.800 60.800 62.275 -1.475 19328 1012 1 4 . 1 1 37 37 VAL CB C 37 34.200 34.200 32.537 1.663 19328 1013 1 4 . 1 1 38 38 SER N N 38 122.000 122.000 122.759 -0.759 19328 1014 1 4 . 1 1 38 38 SER HA H 38 4.900 4.900 4.788 0.112 19328 1015 1 4 . 1 1 38 38 SER C C 38 174.100 174.100 173.647 0.453 19328 1016 1 4 . 1 1 38 38 SER CA C 38 55.500 55.500 56.157 -0.657 19328 1017 1 4 . 1 1 38 38 SER CB C 38 63.800 63.800 63.653 0.147 19328 1018 1 4 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.446 -0.086 19328 1019 1 4 . 1 1 39 39 PRO C C 39 179.300 179.300 178.840 0.460 19328 1020 1 4 . 1 1 39 39 PRO CA C 39 65.600 65.600 65.473 0.127 19328 1021 1 4 . 1 1 39 39 PRO CB C 39 31.900 31.900 32.037 -0.137 19328 1022 1 4 . 1 1 40 40 GLU N N 40 116.600 116.600 117.803 -1.203 19328 1023 1 4 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.117 0.043 19328 1024 1 4 . 1 1 40 40 GLU C C 40 178.500 178.500 178.831 -0.331 19328 1025 1 4 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.482 -0.382 19328 1026 1 4 . 1 1 40 40 GLU CB C 40 29.200 29.200 29.173 0.027 19328 1027 1 4 . 1 1 41 41 MET N N 41 119.300 119.300 118.552 0.748 19328 1028 1 4 . 1 1 41 41 MET HA H 41 4.260 4.260 4.244 0.016 19328 1029 1 4 . 1 1 41 41 MET C C 41 178.200 178.200 178.828 -0.628 19328 1030 1 4 . 1 1 41 41 MET CA C 41 57.300 57.300 58.498 -1.198 19328 1031 1 4 . 1 1 41 41 MET CB C 41 33.400 33.400 32.554 0.846 19328 1032 1 4 . 1 1 42 42 ALA N N 42 121.900 121.900 121.996 -0.096 19328 1033 1 4 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.174 -0.034 19328 1034 1 4 . 1 1 42 42 ALA C C 42 179.100 179.100 178.488 0.612 19328 1035 1 4 . 1 1 42 42 ALA CA C 42 54.400 54.400 54.681 -0.281 19328 1036 1 4 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.452 0.148 19328 1037 1 4 . 1 1 43 43 GLU N N 43 115.100 115.100 117.600 -2.500 19328 1038 1 4 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.198 0.132 19328 1039 1 4 . 1 1 43 43 GLU C C 43 177.600 177.600 178.343 -0.743 19328 1040 1 4 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.197 -0.697 19328 1041 1 4 . 1 1 43 43 GLU CB C 43 30.200 30.200 29.993 0.207 19328 1042 1 4 . 1 1 44 44 LYS N N 44 117.600 117.600 119.266 -1.666 19328 1043 1 4 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.198 0.132 19328 1044 1 4 . 1 1 44 44 LYS C C 44 176.200 176.200 176.454 -0.254 19328 1045 1 4 . 1 1 44 44 LYS CA C 44 57.500 57.500 57.474 0.027 19328 1046 1 4 . 1 1 44 44 LYS CB C 44 34.400 34.400 33.696 0.704 19328 1047 1 4 . 1 1 45 45 GLU N N 45 118.200 118.200 117.612 0.588 19328 1048 1 4 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.400 0.230 19328 1049 1 4 . 1 1 45 45 GLU C C 45 175.400 175.400 174.363 1.037 19328 1050 1 4 . 1 1 45 45 GLU CA C 45 54.900 54.900 56.212 -1.312 19328 1051 1 4 . 1 1 45 45 GLU CB C 45 32.020 32.020 31.351 0.669 19328 1052 1 4 . 1 1 46 46 ASP N N 46 121.600 121.600 122.557 -0.957 19328 1053 1 4 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.108 0.672 19328 1054 1 4 . 1 1 46 46 ASP C C 46 175.900 175.900 174.773 1.127 19328 1055 1 4 . 1 1 46 46 ASP CA C 46 54.200 54.200 54.747 -0.547 19328 1056 1 4 . 1 1 46 46 ASP CB C 46 41.000 41.000 41.349 -0.349 19328 1057 1 4 . 1 1 47 47 TYR N N 47 124.600 124.600 116.788 7.812 19328 1058 1 4 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.726 -0.176 19328 1059 1 4 . 1 1 47 47 TYR C C 47 172.200 172.200 173.763 -1.563 19328 1060 1 4 . 1 1 47 47 TYR CA C 47 58.000 58.000 56.803 1.197 19328 1061 1 4 . 1 1 47 47 TYR CB C 47 39.800 39.800 38.496 1.304 19328 1062 1 4 . 1 1 48 48 ILE N N 48 128.000 128.000 122.506 5.494 19328 1063 1 4 . 1 1 48 48 ILE HA H 48 4.470 4.470 4.083 0.387 19328 1064 1 4 . 1 1 48 48 ILE C C 48 174.800 174.800 176.149 -1.349 19328 1065 1 4 . 1 1 48 48 ILE CA C 48 58.600 58.600 60.489 -1.889 19328 1066 1 4 . 1 1 48 48 ILE CB C 48 38.300 38.300 38.874 -0.574 19328 1067 1 4 . 1 1 49 49 CYS N N 49 130.100 130.100 123.878 6.222 19328 1068 1 4 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.419 -0.259 19328 1069 1 4 . 1 1 49 49 CYS C C 49 176.400 176.400 176.524 -0.124 19328 1070 1 4 . 1 1 49 49 CYS CA C 49 58.500 58.500 57.898 0.602 19328 1071 1 4 . 1 1 49 49 CYS CB C 49 31.800 31.800 27.557 4.243 19328 1072 1 4 . 1 1 50 50 VAL N N 50 116.100 116.100 119.572 -3.472 19328 1073 1 4 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.664 0.136 19328 1074 1 4 . 1 1 50 50 VAL C C 50 177.900 177.900 177.450 0.450 19328 1075 1 4 . 1 1 50 50 VAL CA C 50 65.300 65.300 66.195 -0.895 19328 1076 1 4 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.491 0.309 19328 1077 1 4 . 1 1 51 51 ARG N N 51 121.800 121.800 120.413 1.387 19328 1078 1 4 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.135 0.105 19328 1079 1 4 . 1 1 51 51 ARG C C 51 178.900 178.900 178.354 0.546 19328 1080 1 4 . 1 1 51 51 ARG CA C 51 59.000 59.000 58.339 0.661 19328 1081 1 4 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.010 1.290 19328 1082 1 4 . 1 1 52 52 CYS N N 52 123.700 123.700 117.363 6.337 19328 1083 1 4 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.479 -0.459 19328 1084 1 4 . 1 1 52 52 CYS C C 52 176.500 176.500 176.974 -0.474 19328 1085 1 4 . 1 1 52 52 CYS CA C 52 63.400 63.400 61.528 1.872 19328 1086 1 4 . 1 1 52 52 CYS CB C 52 30.100 30.100 26.256 3.844 19328 1087 1 4 . 1 1 53 53 THR N N 53 115.800 115.800 116.506 -0.706 19328 1088 1 4 . 1 1 53 53 THR HA H 53 3.860 3.860 4.037 -0.177 19328 1089 1 4 . 1 1 53 53 THR C C 53 174.900 174.900 176.011 -1.111 19328 1090 1 4 . 1 1 53 53 THR CA C 53 65.200 65.200 66.471 -1.271 19328 1091 1 4 . 1 1 53 53 THR CB C 53 69.400 69.400 68.497 0.903 19328 1092 1 4 . 1 1 54 54 VAL N N 54 120.900 120.900 119.259 1.641 19328 1093 1 4 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.752 0.268 19328 1094 1 4 . 1 1 54 54 VAL C C 54 176.600 176.600 177.612 -1.012 19328 1095 1 4 . 1 1 54 54 VAL CA C 54 63.200 63.200 65.346 -2.146 19328 1096 1 4 . 1 1 54 54 VAL CB C 54 32.400 32.400 31.095 1.305 19328 1097 1 4 . 1 1 55 55 LYS N N 55 123.100 123.100 119.674 3.426 19328 1098 1 4 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.069 0.141 19328 1099 1 4 . 1 1 55 55 LYS C C 55 176.700 176.700 177.670 -0.970 19328 1100 1 4 . 1 1 55 55 LYS CA C 55 57.200 57.200 58.401 -1.201 19328 1101 1 4 . 1 1 55 55 LYS CB C 55 33.100 33.100 32.356 0.744 19328 1102 1 4 . 1 1 56 56 ASP N N 56 119.600 119.600 118.696 0.904 19328 1103 1 4 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.375 0.205 19328 1104 1 4 . 1 1 56 56 ASP C C 56 175.600 175.600 176.366 -0.766 19328 1105 1 4 . 1 1 56 56 ASP CA C 56 54.300 54.300 56.198 -1.898 19328 1106 1 4 . 1 1 56 56 ASP CB C 56 40.800 40.800 41.047 -0.247 19328 1107 1 4 . 1 1 57 57 ALA N N 57 124.700 124.700 120.430 4.270 19328 1108 1 4 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.713 -0.173 19328 1109 1 4 . 1 1 57 57 ALA CA C 57 51.100 51.100 50.059 1.040 19328 1110 1 4 . 1 1 57 57 ALA CB C 57 18.200 18.200 19.863 -1.663 19328 1111 1 4 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.527 -0.077 19328 1112 1 4 . 1 1 58 58 PRO C C 58 177.100 177.100 176.176 0.924 19328 1113 1 4 . 1 1 58 58 PRO CA C 58 63.500 63.500 63.002 0.498 19328 1114 1 4 . 1 1 58 58 PRO CB C 58 31.900 31.900 30.696 1.204 19328 1115 1 4 . 1 1 59 59 SER N N 59 115.500 115.500 118.553 -3.053 19328 1116 1 4 . 1 1 59 59 SER HA H 59 4.430 4.430 4.568 -0.138 19328 1117 1 4 . 1 1 59 59 SER C C 59 174.500 174.500 173.995 0.505 19328 1118 1 4 . 1 1 59 59 SER CA C 59 58.300 58.300 57.581 0.719 19328 1119 1 4 . 1 1 59 59 SER CB C 59 63.700 63.700 64.875 -1.175 19328 1120 1 4 . 1 1 60 60 ARG N N 60 123.600 123.600 121.167 2.433 19328 1121 1 4 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.078 0.312 19328 1122 1 4 . 1 1 60 60 ARG C C 60 175.300 175.300 174.580 0.720 19328 1123 1 4 . 1 1 60 60 ARG CA C 60 55.900 55.900 56.734 -0.834 19328 1124 1 4 . 1 1 60 60 ARG CB C 60 30.800 30.800 28.000 2.800 19328 1125 1 5 . 1 1 2 2 HIS HA H 2 4.820 4.820 5.140 -0.320 19328 1126 1 5 . 1 1 2 2 HIS C C 2 174.000 174.000 174.871 -0.871 19328 1127 1 5 . 1 1 2 2 HIS CA C 2 55.800 55.800 55.458 0.342 19328 1128 1 5 . 1 1 2 2 HIS CB C 2 30.400 30.400 31.112 -0.712 19328 1129 1 5 . 1 1 3 3 MET N N 3 121.100 121.100 122.870 -1.770 19328 1130 1 5 . 1 1 3 3 MET HA H 3 5.220 5.220 4.589 0.631 19328 1131 1 5 . 1 1 3 3 MET C C 3 176.100 176.100 175.811 0.289 19328 1132 1 5 . 1 1 3 3 MET CA C 3 55.800 55.800 55.492 0.308 19328 1133 1 5 . 1 1 3 3 MET CB C 3 34.500 34.500 33.854 0.646 19328 1134 1 5 . 1 1 4 4 CYS N N 4 129.800 129.800 115.752 14.048 19328 1135 1 5 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.307 0.923 19328 1136 1 5 . 1 1 4 4 CYS CA C 4 57.000 57.000 57.344 -0.344 19328 1137 1 5 . 1 1 4 4 CYS CB C 4 30.200 30.200 25.001 5.199 19328 1138 1 5 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.310 0.470 19328 1139 1 5 . 1 1 5 5 PRO C C 5 176.800 176.800 176.222 0.578 19328 1140 1 5 . 1 1 5 5 PRO CA C 5 63.300 63.300 63.614 -0.314 19328 1141 1 5 . 1 1 5 5 PRO CB C 5 30.100 30.100 32.313 -2.213 19328 1142 1 5 . 1 1 6 6 ALA N N 6 125.200 125.200 123.434 1.766 19328 1143 1 5 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.373 0.107 19328 1144 1 5 . 1 1 6 6 ALA C C 6 176.800 176.800 177.946 -1.146 19328 1145 1 5 . 1 1 6 6 ALA CA C 6 53.300 53.300 51.597 1.703 19328 1146 1 5 . 1 1 6 6 ALA CB C 6 20.200 20.200 19.514 0.686 19328 1147 1 5 . 1 1 7 7 VAL N N 7 121.500 121.500 124.041 -2.541 19328 1148 1 5 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.778 -0.048 19328 1149 1 5 . 1 1 7 7 VAL C C 7 177.600 177.600 177.134 0.466 19328 1150 1 5 . 1 1 7 7 VAL CA C 7 66.300 66.300 64.501 1.798 19328 1151 1 5 . 1 1 7 7 VAL CB C 7 31.300 31.300 31.646 -0.346 19328 1152 1 5 . 1 1 8 8 SER N N 8 113.200 113.200 115.978 -2.778 19328 1153 1 5 . 1 1 8 8 SER HA H 8 4.550 4.550 4.452 0.098 19328 1154 1 5 . 1 1 8 8 SER C C 8 172.900 172.900 173.249 -0.349 19328 1155 1 5 . 1 1 8 8 SER CA C 8 56.700 56.700 57.838 -1.138 19328 1156 1 5 . 1 1 8 8 SER CB C 8 63.300 63.300 61.497 1.803 19328 1157 1 5 . 1 1 9 9 CYS N N 9 126.000 126.000 124.420 1.580 19328 1158 1 5 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.501 0.759 19328 1159 1 5 . 1 1 9 9 CYS C C 9 177.300 177.300 174.023 3.277 19328 1160 1 5 . 1 1 9 9 CYS CA C 9 58.200 58.200 57.608 0.593 19328 1161 1 5 . 1 1 9 9 CYS CB C 9 29.600 29.600 25.318 4.282 19328 1162 1 5 . 1 1 10 10 LEU N N 10 135.700 135.700 128.294 7.406 19328 1163 1 5 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.239 -0.059 19328 1164 1 5 . 1 1 10 10 LEU C C 10 176.300 176.300 175.494 0.806 19328 1165 1 5 . 1 1 10 10 LEU CA C 10 55.900 55.900 55.483 0.417 19328 1166 1 5 . 1 1 10 10 LEU CB C 10 41.500 41.500 41.656 -0.155 19328 1167 1 5 . 1 1 11 11 GLN N N 11 120.100 120.100 122.858 -2.758 19328 1168 1 5 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.445 -0.575 19328 1169 1 5 . 1 1 11 11 GLN CA C 11 55.400 55.400 52.130 3.270 19328 1170 1 5 . 1 1 11 11 GLN CB C 11 28.100 28.100 28.445 -0.345 19328 1171 1 5 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.421 -0.191 19328 1172 1 5 . 1 1 12 12 PRO C C 12 176.700 176.700 176.592 0.108 19328 1173 1 5 . 1 1 12 12 PRO CA C 12 62.700 62.700 62.738 -0.038 19328 1174 1 5 . 1 1 12 12 PRO CB C 12 31.300 31.300 32.321 -1.021 19328 1175 1 5 . 1 1 13 13 GLU N N 13 120.800 120.800 121.659 -0.859 19328 1176 1 5 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.159 0.181 19328 1177 1 5 . 1 1 13 13 GLU C C 13 176.700 176.700 177.146 -0.446 19328 1178 1 5 . 1 1 13 13 GLU CA C 13 55.600 55.600 56.937 -1.337 19328 1179 1 5 . 1 1 13 13 GLU CB C 13 32.100 32.100 29.108 2.992 19328 1180 1 5 . 1 1 14 14 GLY N N 14 109.000 109.000 115.479 -6.479 19328 1181 1 5 . 1 1 14 14 GLY C C 14 174.100 174.100 173.587 0.513 19328 1182 1 5 . 1 1 14 14 GLY CA C 14 44.800 44.800 44.697 0.103 19328 1183 1 5 . 1 1 15 15 ASP N N 15 118.800 118.800 121.412 -2.612 19328 1184 1 5 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.842 -0.162 19328 1185 1 5 . 1 1 15 15 ASP C C 15 177.000 177.000 176.679 0.321 19328 1186 1 5 . 1 1 15 15 ASP CA C 15 55.500 55.500 53.880 1.620 19328 1187 1 5 . 1 1 15 15 ASP CB C 15 41.400 41.400 42.539 -1.139 19328 1188 1 5 . 1 1 16 16 GLU N N 16 120.100 120.100 119.646 0.454 19328 1189 1 5 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.126 0.434 19328 1190 1 5 . 1 1 16 16 GLU C C 16 175.400 175.400 175.061 0.339 19328 1191 1 5 . 1 1 16 16 GLU CA C 16 55.600 55.600 57.476 -1.876 19328 1192 1 5 . 1 1 16 16 GLU CB C 16 29.200 29.200 29.240 -0.040 19328 1193 1 5 . 1 1 17 17 VAL N N 17 120.100 120.100 112.464 7.636 19328 1194 1 5 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.499 -0.539 19328 1195 1 5 . 1 1 17 17 VAL C C 17 174.500 174.500 174.843 -0.343 19328 1196 1 5 . 1 1 17 17 VAL CA C 17 61.600 61.600 60.784 0.816 19328 1197 1 5 . 1 1 17 17 VAL CB C 17 33.200 33.200 35.062 -1.861 19328 1198 1 5 . 1 1 18 18 ASP N N 18 122.700 122.700 122.464 0.236 19328 1199 1 5 . 1 1 18 18 ASP HA H 18 5.130 5.130 4.823 0.307 19328 1200 1 5 . 1 1 18 18 ASP C C 18 176.900 176.900 174.698 2.202 19328 1201 1 5 . 1 1 18 18 ASP CA C 18 54.200 54.200 54.550 -0.350 19328 1202 1 5 . 1 1 18 18 ASP CB C 18 42.500 42.500 42.858 -0.358 19328 1203 1 5 . 1 1 19 19 TRP N N 19 124.200 124.200 121.218 2.982 19328 1204 1 5 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.355 0.285 19328 1205 1 5 . 1 1 19 19 TRP C C 19 176.200 176.200 176.155 0.045 19328 1206 1 5 . 1 1 19 19 TRP CA C 19 57.300 57.300 55.540 1.760 19328 1207 1 5 . 1 1 19 19 TRP CB C 19 34.100 34.100 32.456 1.645 19328 1208 1 5 . 1 1 20 20 VAL N N 20 121.500 121.500 122.088 -0.588 19328 1209 1 5 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.431 0.369 19328 1210 1 5 . 1 1 20 20 VAL C C 20 170.800 170.800 174.053 -3.253 19328 1211 1 5 . 1 1 20 20 VAL CA C 20 60.600 60.600 60.554 0.045 19328 1212 1 5 . 1 1 20 20 VAL CB C 20 35.300 35.300 34.756 0.544 19328 1213 1 5 . 1 1 21 21 GLN N N 21 131.300 131.300 127.734 3.566 19328 1214 1 5 . 1 1 21 21 GLN HA H 21 4.480 4.480 4.035 0.445 19328 1215 1 5 . 1 1 21 21 GLN C C 21 175.300 175.300 174.873 0.427 19328 1216 1 5 . 1 1 21 21 GLN CA C 21 53.600 53.600 55.203 -1.603 19328 1217 1 5 . 1 1 21 21 GLN CB C 21 28.300 28.300 29.440 -1.140 19328 1218 1 5 . 1 1 22 22 CYS N N 22 127.400 127.400 127.715 -0.315 19328 1219 1 5 . 1 1 22 22 CYS HA H 22 4.500 4.500 4.736 -0.236 19328 1220 1 5 . 1 1 22 22 CYS C C 22 176.100 176.100 174.993 1.107 19328 1221 1 5 . 1 1 22 22 CYS CA C 22 60.600 60.600 58.379 2.221 19328 1222 1 5 . 1 1 22 22 CYS CB C 22 31.300 31.300 26.399 4.901 19328 1223 1 5 . 1 1 23 23 ASP N N 23 129.200 129.200 128.504 0.696 19328 1224 1 5 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.397 0.413 19328 1225 1 5 . 1 1 23 23 ASP C C 23 176.700 176.700 176.946 -0.246 19328 1226 1 5 . 1 1 23 23 ASP CA C 23 55.300 55.300 55.887 -0.587 19328 1227 1 5 . 1 1 23 23 ASP CB C 23 41.300 41.300 41.013 0.287 19328 1228 1 5 . 1 1 24 24 GLY N N 24 116.300 116.300 105.955 10.345 19328 1229 1 5 . 1 1 24 24 GLY C C 24 173.700 173.700 174.085 -0.385 19328 1230 1 5 . 1 1 24 24 GLY CA C 24 43.700 43.700 44.589 -0.889 19328 1231 1 5 . 1 1 25 25 SER N N 25 116.500 116.500 115.405 1.095 19328 1232 1 5 . 1 1 25 25 SER HA H 25 4.180 4.180 4.354 -0.174 19328 1233 1 5 . 1 1 25 25 SER C C 25 176.600 176.600 174.668 1.932 19328 1234 1 5 . 1 1 25 25 SER CA C 25 61.000 61.000 59.172 1.828 19328 1235 1 5 . 1 1 25 25 SER CB C 25 63.700 63.700 61.327 2.373 19328 1236 1 5 . 1 1 26 26 CYS N N 26 122.000 122.000 121.648 0.352 19328 1237 1 5 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.543 -0.143 19328 1238 1 5 . 1 1 26 26 CYS C C 26 176.500 176.500 174.235 2.265 19328 1239 1 5 . 1 1 26 26 CYS CA C 26 60.800 60.800 59.020 1.780 19328 1240 1 5 . 1 1 26 26 CYS CB C 26 29.600 29.600 27.838 1.762 19328 1241 1 5 . 1 1 27 27 ASN N N 27 117.000 117.000 118.673 -1.673 19328 1242 1 5 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.438 0.382 19328 1243 1 5 . 1 1 27 27 ASN C C 27 174.900 174.900 174.190 0.710 19328 1244 1 5 . 1 1 27 27 ASN CA C 27 54.800 54.800 54.413 0.387 19328 1245 1 5 . 1 1 27 27 ASN CB C 27 39.500 39.500 37.659 1.841 19328 1246 1 5 . 1 1 28 28 GLN N N 28 120.700 120.700 118.537 2.163 19328 1247 1 5 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.206 0.154 19328 1248 1 5 . 1 1 28 28 GLN C C 28 174.600 174.600 175.823 -1.223 19328 1249 1 5 . 1 1 28 28 GLN CA C 28 57.100 57.100 55.634 1.466 19328 1250 1 5 . 1 1 28 28 GLN CB C 28 31.500 31.500 28.271 3.229 19328 1251 1 5 . 1 1 29 29 TRP N N 29 119.600 119.600 124.123 -4.523 19328 1252 1 5 . 1 1 29 29 TRP HA H 29 4.950 4.950 4.306 0.644 19328 1253 1 5 . 1 1 29 29 TRP C C 29 175.400 175.400 175.773 -0.373 19328 1254 1 5 . 1 1 29 29 TRP CA C 29 57.100 57.100 57.266 -0.166 19328 1255 1 5 . 1 1 29 29 TRP CB C 29 30.500 30.500 30.066 0.434 19328 1256 1 5 . 1 1 30 30 PHE N N 30 119.600 119.600 121.016 -1.416 19328 1257 1 5 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.425 0.405 19328 1258 1 5 . 1 1 30 30 PHE C C 30 176.600 176.600 174.544 2.056 19328 1259 1 5 . 1 1 30 30 PHE CA C 30 56.400 56.400 55.755 0.645 19328 1260 1 5 . 1 1 30 30 PHE CB C 30 43.000 43.000 41.835 1.165 19328 1261 1 5 . 1 1 31 31 HIS N N 31 123.600 123.600 122.692 0.908 19328 1262 1 5 . 1 1 31 31 HIS HA H 31 4.230 4.230 4.236 -0.006 19328 1263 1 5 . 1 1 31 31 HIS C C 31 177.400 177.400 176.217 1.183 19328 1264 1 5 . 1 1 31 31 HIS CA C 31 57.100 57.100 55.971 1.129 19328 1265 1 5 . 1 1 31 31 HIS CB C 31 29.800 29.800 29.781 0.019 19328 1266 1 5 . 1 1 32 32 GLN N N 32 124.100 124.100 121.226 2.874 19328 1267 1 5 . 1 1 32 32 GLN HA H 32 3.520 3.520 4.008 -0.488 19328 1268 1 5 . 1 1 32 32 GLN C C 32 179.100 179.100 178.164 0.936 19328 1269 1 5 . 1 1 32 32 GLN CA C 32 60.600 60.600 59.710 0.890 19328 1270 1 5 . 1 1 32 32 GLN CB C 32 26.900 26.900 28.998 -2.099 19328 1271 1 5 . 1 1 33 33 VAL N N 33 112.800 112.800 111.888 0.912 19328 1272 1 5 . 1 1 33 33 VAL HA H 33 4.070 4.070 4.041 0.029 19328 1273 1 5 . 1 1 33 33 VAL C C 33 178.200 178.200 177.319 0.881 19328 1274 1 5 . 1 1 33 33 VAL CA C 33 64.400 64.400 64.111 0.289 19328 1275 1 5 . 1 1 33 33 VAL CB C 33 31.600 31.600 31.373 0.227 19328 1276 1 5 . 1 1 34 34 CYS N N 34 120.900 120.900 118.719 2.181 19328 1277 1 5 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.574 -0.494 19328 1278 1 5 . 1 1 34 34 CYS C C 34 177.100 177.100 176.088 1.012 19328 1279 1 5 . 1 1 34 34 CYS CA C 34 62.500 62.500 61.253 1.247 19328 1280 1 5 . 1 1 34 34 CYS CB C 34 29.500 29.500 26.436 3.064 19328 1281 1 5 . 1 1 35 35 VAL N N 35 106.500 106.500 112.313 -5.813 19328 1282 1 5 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.312 0.248 19328 1283 1 5 . 1 1 35 35 VAL C C 35 176.200 176.200 176.550 -0.350 19328 1284 1 5 . 1 1 35 35 VAL CA C 35 60.100 60.100 61.492 -1.392 19328 1285 1 5 . 1 1 35 35 VAL CB C 35 31.800 31.800 33.062 -1.262 19328 1286 1 5 . 1 1 36 36 GLY N N 36 109.800 109.800 109.503 0.297 19328 1287 1 5 . 1 1 36 36 GLY C C 36 174.600 174.600 174.805 -0.205 19328 1288 1 5 . 1 1 36 36 GLY CA C 36 46.900 46.900 46.101 0.799 19328 1289 1 5 . 1 1 37 37 VAL N N 37 119.000 119.000 121.465 -2.465 19328 1290 1 5 . 1 1 37 37 VAL HA H 37 4.330 4.330 3.852 0.478 19328 1291 1 5 . 1 1 37 37 VAL C C 37 174.000 174.000 176.019 -2.019 19328 1292 1 5 . 1 1 37 37 VAL CA C 37 60.800 60.800 62.549 -1.749 19328 1293 1 5 . 1 1 37 37 VAL CB C 37 34.200 34.200 30.280 3.920 19328 1294 1 5 . 1 1 38 38 SER N N 38 122.000 122.000 124.993 -2.993 19328 1295 1 5 . 1 1 38 38 SER HA H 38 4.900 4.900 4.563 0.337 19328 1296 1 5 . 1 1 38 38 SER C C 38 174.100 174.100 174.022 0.078 19328 1297 1 5 . 1 1 38 38 SER CA C 38 55.500 55.500 57.042 -1.542 19328 1298 1 5 . 1 1 38 38 SER CB C 38 63.800 63.800 62.836 0.964 19328 1299 1 5 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.161 0.199 19328 1300 1 5 . 1 1 39 39 PRO C C 39 179.300 179.300 178.836 0.464 19328 1301 1 5 . 1 1 39 39 PRO CA C 39 65.600 65.600 65.758 -0.158 19328 1302 1 5 . 1 1 39 39 PRO CB C 39 31.900 31.900 31.989 -0.090 19328 1303 1 5 . 1 1 40 40 GLU N N 40 116.600 116.600 117.906 -1.306 19328 1304 1 5 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.098 0.062 19328 1305 1 5 . 1 1 40 40 GLU C C 40 178.500 178.500 178.784 -0.284 19328 1306 1 5 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.658 -0.558 19328 1307 1 5 . 1 1 40 40 GLU CB C 40 29.200 29.200 29.323 -0.123 19328 1308 1 5 . 1 1 41 41 MET N N 41 119.300 119.300 118.597 0.703 19328 1309 1 5 . 1 1 41 41 MET HA H 41 4.260 4.260 4.201 0.059 19328 1310 1 5 . 1 1 41 41 MET C C 41 178.200 178.200 178.490 -0.290 19328 1311 1 5 . 1 1 41 41 MET CA C 41 57.300 57.300 58.569 -1.269 19328 1312 1 5 . 1 1 41 41 MET CB C 41 33.400 33.400 32.674 0.726 19328 1313 1 5 . 1 1 42 42 ALA N N 42 121.900 121.900 121.209 0.691 19328 1314 1 5 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.285 -0.145 19328 1315 1 5 . 1 1 42 42 ALA C C 42 179.100 179.100 179.730 -0.630 19328 1316 1 5 . 1 1 42 42 ALA CA C 42 54.400 54.400 55.234 -0.834 19328 1317 1 5 . 1 1 42 42 ALA CB C 42 18.600 18.600 17.897 0.703 19328 1318 1 5 . 1 1 43 43 GLU N N 43 115.100 115.100 118.379 -3.279 19328 1319 1 5 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.184 0.146 19328 1320 1 5 . 1 1 43 43 GLU C C 43 177.600 177.600 178.561 -0.961 19328 1321 1 5 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.795 -1.295 19328 1322 1 5 . 1 1 43 43 GLU CB C 43 30.200 30.200 29.869 0.331 19328 1323 1 5 . 1 1 44 44 LYS N N 44 117.600 117.600 116.619 0.981 19328 1324 1 5 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.301 0.029 19328 1325 1 5 . 1 1 44 44 LYS C C 44 176.200 176.200 176.154 0.046 19328 1326 1 5 . 1 1 44 44 LYS CA C 44 57.500 57.500 55.671 1.829 19328 1327 1 5 . 1 1 44 44 LYS CB C 44 34.400 34.400 32.166 2.234 19328 1328 1 5 . 1 1 45 45 GLU N N 45 118.200 118.200 113.290 4.910 19328 1329 1 5 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.020 0.610 19328 1330 1 5 . 1 1 45 45 GLU C C 45 175.400 175.400 174.920 0.480 19328 1331 1 5 . 1 1 45 45 GLU CA C 45 54.900 54.900 57.255 -2.355 19328 1332 1 5 . 1 1 45 45 GLU CB C 45 32.020 32.020 27.685 4.335 19328 1333 1 5 . 1 1 46 46 ASP N N 46 121.600 121.600 120.786 0.814 19328 1334 1 5 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.488 0.292 19328 1335 1 5 . 1 1 46 46 ASP C C 46 175.900 175.900 174.980 0.920 19328 1336 1 5 . 1 1 46 46 ASP CA C 46 54.200 54.200 53.722 0.478 19328 1337 1 5 . 1 1 46 46 ASP CB C 46 41.000 41.000 39.790 1.210 19328 1338 1 5 . 1 1 47 47 TYR N N 47 124.600 124.600 118.507 6.093 19328 1339 1 5 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.744 -0.194 19328 1340 1 5 . 1 1 47 47 TYR C C 47 172.200 172.200 174.602 -2.402 19328 1341 1 5 . 1 1 47 47 TYR CA C 47 58.000 58.000 56.082 1.918 19328 1342 1 5 . 1 1 47 47 TYR CB C 47 39.800 39.800 38.832 0.968 19328 1343 1 5 . 1 1 48 48 ILE N N 48 128.000 128.000 123.059 4.941 19328 1344 1 5 . 1 1 48 48 ILE HA H 48 4.470 4.470 4.087 0.383 19328 1345 1 5 . 1 1 48 48 ILE C C 48 174.800 174.800 176.714 -1.914 19328 1346 1 5 . 1 1 48 48 ILE CA C 48 58.600 58.600 60.852 -2.252 19328 1347 1 5 . 1 1 48 48 ILE CB C 48 38.300 38.300 38.026 0.274 19328 1348 1 5 . 1 1 49 49 CYS N N 49 130.100 130.100 126.806 3.294 19328 1349 1 5 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.333 -0.173 19328 1350 1 5 . 1 1 49 49 CYS C C 49 176.400 176.400 177.052 -0.652 19328 1351 1 5 . 1 1 49 49 CYS CA C 49 58.500 58.500 58.854 -0.354 19328 1352 1 5 . 1 1 49 49 CYS CB C 49 31.800 31.800 26.985 4.815 19328 1353 1 5 . 1 1 50 50 VAL N N 50 116.100 116.100 122.947 -6.847 19328 1354 1 5 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.716 0.084 19328 1355 1 5 . 1 1 50 50 VAL C C 50 177.900 177.900 177.419 0.481 19328 1356 1 5 . 1 1 50 50 VAL CA C 50 65.300 65.300 65.232 0.068 19328 1357 1 5 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.637 0.163 19328 1358 1 5 . 1 1 51 51 ARG N N 51 121.800 121.800 119.858 1.942 19328 1359 1 5 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.115 0.125 19328 1360 1 5 . 1 1 51 51 ARG C C 51 178.900 178.900 178.129 0.771 19328 1361 1 5 . 1 1 51 51 ARG CA C 51 59.000 59.000 59.287 -0.287 19328 1362 1 5 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.687 0.613 19328 1363 1 5 . 1 1 52 52 CYS N N 52 123.700 123.700 116.712 6.988 19328 1364 1 5 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.362 -0.342 19328 1365 1 5 . 1 1 52 52 CYS C C 52 176.500 176.500 176.939 -0.439 19328 1366 1 5 . 1 1 52 52 CYS CA C 52 63.400 63.400 61.525 1.875 19328 1367 1 5 . 1 1 52 52 CYS CB C 52 30.100 30.100 26.127 3.973 19328 1368 1 5 . 1 1 53 53 THR N N 53 115.800 115.800 116.434 -0.634 19328 1369 1 5 . 1 1 53 53 THR HA H 53 3.860 3.860 4.063 -0.203 19328 1370 1 5 . 1 1 53 53 THR C C 53 174.900 174.900 175.943 -1.043 19328 1371 1 5 . 1 1 53 53 THR CA C 53 65.200 65.200 66.509 -1.309 19328 1372 1 5 . 1 1 53 53 THR CB C 53 69.400 69.400 68.698 0.702 19328 1373 1 5 . 1 1 54 54 VAL N N 54 120.900 120.900 120.276 0.624 19328 1374 1 5 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.721 0.299 19328 1375 1 5 . 1 1 54 54 VAL C C 54 176.600 176.600 176.712 -0.112 19328 1376 1 5 . 1 1 54 54 VAL CA C 54 63.200 63.200 64.532 -1.332 19328 1377 1 5 . 1 1 54 54 VAL CB C 54 32.400 32.400 31.870 0.530 19328 1378 1 5 . 1 1 55 55 LYS N N 55 123.100 123.100 119.074 4.026 19328 1379 1 5 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.067 0.143 19328 1380 1 5 . 1 1 55 55 LYS C C 55 176.700 176.700 177.151 -0.451 19328 1381 1 5 . 1 1 55 55 LYS CA C 55 57.200 57.200 58.492 -1.292 19328 1382 1 5 . 1 1 55 55 LYS CB C 55 33.100 33.100 32.421 0.679 19328 1383 1 5 . 1 1 56 56 ASP N N 56 119.600 119.600 116.989 2.611 19328 1384 1 5 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.638 -0.058 19328 1385 1 5 . 1 1 56 56 ASP C C 56 175.600 175.600 175.787 -0.187 19328 1386 1 5 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.149 0.151 19328 1387 1 5 . 1 1 56 56 ASP CB C 56 40.800 40.800 43.038 -2.238 19328 1388 1 5 . 1 1 57 57 ALA N N 57 124.700 124.700 121.823 2.877 19328 1389 1 5 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.120 0.420 19328 1390 1 5 . 1 1 57 57 ALA CA C 57 51.100 51.100 52.267 -1.167 19328 1391 1 5 . 1 1 57 57 ALA CB C 57 18.200 18.200 16.967 1.233 19328 1392 1 5 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.406 0.044 19328 1393 1 5 . 1 1 58 58 PRO C C 58 177.100 177.100 176.782 0.318 19328 1394 1 5 . 1 1 58 58 PRO CA C 58 63.500 63.500 62.741 0.759 19328 1395 1 5 . 1 1 58 58 PRO CB C 58 31.900 31.900 32.349 -0.449 19328 1396 1 5 . 1 1 59 59 SER N N 59 115.500 115.500 117.772 -2.272 19328 1397 1 5 . 1 1 59 59 SER HA H 59 4.430 4.430 4.338 0.092 19328 1398 1 5 . 1 1 59 59 SER C C 59 174.500 174.500 174.599 -0.099 19328 1399 1 5 . 1 1 59 59 SER CA C 59 58.300 58.300 59.193 -0.893 19328 1400 1 5 . 1 1 59 59 SER CB C 59 63.700 63.700 63.006 0.694 19328 1401 1 5 . 1 1 60 60 ARG N N 60 123.600 123.600 123.318 0.282 19328 1402 1 5 . 1 1 60 60 ARG HA H 60 4.390 4.390 3.970 0.420 19328 1403 1 5 . 1 1 60 60 ARG C C 60 175.300 175.300 174.833 0.467 19328 1404 1 5 . 1 1 60 60 ARG CA C 60 55.900 55.900 57.198 -1.298 19328 1405 1 5 . 1 1 60 60 ARG CB C 60 30.800 30.800 29.437 1.363 19328 1406 1 6 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.682 0.138 19328 1407 1 6 . 1 1 2 2 HIS C C 2 174.000 174.000 174.309 -0.309 19328 1408 1 6 . 1 1 2 2 HIS CA C 2 55.800 55.800 55.841 -0.041 19328 1409 1 6 . 1 1 2 2 HIS CB C 2 30.400 30.400 30.083 0.317 19328 1410 1 6 . 1 1 3 3 MET N N 3 121.100 121.100 127.174 -6.074 19328 1411 1 6 . 1 1 3 3 MET HA H 3 5.220 5.220 4.306 0.914 19328 1412 1 6 . 1 1 3 3 MET C C 3 176.100 176.100 173.997 2.103 19328 1413 1 6 . 1 1 3 3 MET CA C 3 55.800 55.800 55.115 0.685 19328 1414 1 6 . 1 1 3 3 MET CB C 3 34.500 34.500 31.355 3.145 19328 1415 1 6 . 1 1 4 4 CYS N N 4 129.800 129.800 124.442 5.358 19328 1416 1 6 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.412 0.818 19328 1417 1 6 . 1 1 4 4 CYS CA C 4 57.000 57.000 56.393 0.607 19328 1418 1 6 . 1 1 4 4 CYS CB C 4 30.200 30.200 27.753 2.447 19328 1419 1 6 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.577 0.203 19328 1420 1 6 . 1 1 5 5 PRO C C 5 176.800 176.800 175.884 0.916 19328 1421 1 6 . 1 1 5 5 PRO CA C 5 63.300 63.300 63.328 -0.028 19328 1422 1 6 . 1 1 5 5 PRO CB C 5 30.100 30.100 31.781 -1.681 19328 1423 1 6 . 1 1 6 6 ALA N N 6 125.200 125.200 127.284 -2.084 19328 1424 1 6 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.252 0.228 19328 1425 1 6 . 1 1 6 6 ALA C C 6 176.800 176.800 177.599 -0.799 19328 1426 1 6 . 1 1 6 6 ALA CA C 6 53.300 53.300 51.567 1.733 19328 1427 1 6 . 1 1 6 6 ALA CB C 6 20.200 20.200 19.392 0.808 19328 1428 1 6 . 1 1 7 7 VAL N N 7 121.500 121.500 117.526 3.974 19328 1429 1 6 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.607 0.123 19328 1430 1 6 . 1 1 7 7 VAL C C 7 177.600 177.600 176.274 1.326 19328 1431 1 6 . 1 1 7 7 VAL CA C 7 66.300 66.300 64.445 1.855 19328 1432 1 6 . 1 1 7 7 VAL CB C 7 31.300 31.300 31.278 0.022 19328 1433 1 6 . 1 1 8 8 SER N N 8 113.200 113.200 117.553 -4.353 19328 1434 1 6 . 1 1 8 8 SER HA H 8 4.550 4.550 4.563 -0.013 19328 1435 1 6 . 1 1 8 8 SER C C 8 172.900 172.900 173.346 -0.446 19328 1436 1 6 . 1 1 8 8 SER CA C 8 56.700 56.700 57.989 -1.289 19328 1437 1 6 . 1 1 8 8 SER CB C 8 63.300 63.300 63.145 0.155 19328 1438 1 6 . 1 1 9 9 CYS N N 9 126.000 126.000 128.893 -2.893 19328 1439 1 6 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.805 0.455 19328 1440 1 6 . 1 1 9 9 CYS C C 9 177.300 177.300 174.504 2.796 19328 1441 1 6 . 1 1 9 9 CYS CA C 9 58.200 58.200 57.499 0.701 19328 1442 1 6 . 1 1 9 9 CYS CB C 9 29.600 29.600 26.624 2.976 19328 1443 1 6 . 1 1 10 10 LEU N N 10 135.700 135.700 128.676 7.024 19328 1444 1 6 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.190 -0.010 19328 1445 1 6 . 1 1 10 10 LEU C C 10 176.300 176.300 176.352 -0.052 19328 1446 1 6 . 1 1 10 10 LEU CA C 10 55.900 55.900 55.490 0.409 19328 1447 1 6 . 1 1 10 10 LEU CB C 10 41.500 41.500 42.602 -1.102 19328 1448 1 6 . 1 1 11 11 GLN N N 11 120.100 120.100 123.396 -3.296 19328 1449 1 6 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.440 -0.570 19328 1450 1 6 . 1 1 11 11 GLN CA C 11 55.400 55.400 53.694 1.706 19328 1451 1 6 . 1 1 11 11 GLN CB C 11 28.100 28.100 28.404 -0.304 19328 1452 1 6 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.602 -0.372 19328 1453 1 6 . 1 1 12 12 PRO C C 12 176.700 176.700 176.465 0.235 19328 1454 1 6 . 1 1 12 12 PRO CA C 12 62.700 62.700 62.761 -0.061 19328 1455 1 6 . 1 1 12 12 PRO CB C 12 31.300 31.300 33.429 -2.129 19328 1456 1 6 . 1 1 13 13 GLU N N 13 120.800 120.800 118.780 2.020 19328 1457 1 6 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.380 -0.040 19328 1458 1 6 . 1 1 13 13 GLU C C 13 176.700 176.700 176.591 0.109 19328 1459 1 6 . 1 1 13 13 GLU CA C 13 55.600 55.600 55.952 -0.352 19328 1460 1 6 . 1 1 13 13 GLU CB C 13 32.100 32.100 29.749 2.351 19328 1461 1 6 . 1 1 14 14 GLY N N 14 109.000 109.000 109.015 -0.015 19328 1462 1 6 . 1 1 14 14 GLY C C 14 174.100 174.100 174.040 0.060 19328 1463 1 6 . 1 1 14 14 GLY CA C 14 44.800 44.800 45.185 -0.385 19328 1464 1 6 . 1 1 15 15 ASP N N 15 118.800 118.800 119.865 -1.065 19328 1465 1 6 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.476 0.204 19328 1466 1 6 . 1 1 15 15 ASP C C 15 177.000 177.000 177.062 -0.062 19328 1467 1 6 . 1 1 15 15 ASP CA C 15 55.500 55.500 55.284 0.216 19328 1468 1 6 . 1 1 15 15 ASP CB C 15 41.400 41.400 40.888 0.512 19328 1469 1 6 . 1 1 16 16 GLU N N 16 120.100 120.100 116.423 3.677 19328 1470 1 6 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.303 0.257 19328 1471 1 6 . 1 1 16 16 GLU C C 16 175.400 175.400 175.133 0.267 19328 1472 1 6 . 1 1 16 16 GLU CA C 16 55.600 55.600 56.443 -0.843 19328 1473 1 6 . 1 1 16 16 GLU CB C 16 29.200 29.200 29.568 -0.368 19328 1474 1 6 . 1 1 17 17 VAL N N 17 120.100 120.100 118.271 1.829 19328 1475 1 6 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.297 -0.337 19328 1476 1 6 . 1 1 17 17 VAL C C 17 174.500 174.500 175.141 -0.641 19328 1477 1 6 . 1 1 17 17 VAL CA C 17 61.600 61.600 61.900 -0.300 19328 1478 1 6 . 1 1 17 17 VAL CB C 17 33.200 33.200 32.582 0.618 19328 1479 1 6 . 1 1 18 18 ASP N N 18 122.700 122.700 126.949 -4.249 19328 1480 1 6 . 1 1 18 18 ASP HA H 18 5.130 5.130 4.689 0.441 19328 1481 1 6 . 1 1 18 18 ASP C C 18 176.900 176.900 175.288 1.612 19328 1482 1 6 . 1 1 18 18 ASP CA C 18 54.200 54.200 53.324 0.876 19328 1483 1 6 . 1 1 18 18 ASP CB C 18 42.500 42.500 42.872 -0.372 19328 1484 1 6 . 1 1 19 19 TRP N N 19 124.200 124.200 122.587 1.613 19328 1485 1 6 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.368 0.272 19328 1486 1 6 . 1 1 19 19 TRP C C 19 176.200 176.200 176.054 0.146 19328 1487 1 6 . 1 1 19 19 TRP CA C 19 57.300 57.300 54.166 3.134 19328 1488 1 6 . 1 1 19 19 TRP CB C 19 34.100 34.100 30.690 3.410 19328 1489 1 6 . 1 1 20 20 VAL N N 20 121.500 121.500 122.830 -1.330 19328 1490 1 6 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.694 0.106 19328 1491 1 6 . 1 1 20 20 VAL C C 20 170.800 170.800 174.784 -3.984 19328 1492 1 6 . 1 1 20 20 VAL CA C 20 60.600 60.600 59.603 0.997 19328 1493 1 6 . 1 1 20 20 VAL CB C 20 35.300 35.300 35.517 -0.216 19328 1494 1 6 . 1 1 21 21 GLN N N 21 131.300 131.300 127.972 3.328 19328 1495 1 6 . 1 1 21 21 GLN HA H 21 4.480 4.480 4.671 -0.191 19328 1496 1 6 . 1 1 21 21 GLN C C 21 175.300 175.300 175.754 -0.454 19328 1497 1 6 . 1 1 21 21 GLN CA C 21 53.600 53.600 55.696 -2.096 19328 1498 1 6 . 1 1 21 21 GLN CB C 21 28.300 28.300 29.747 -1.447 19328 1499 1 6 . 1 1 22 22 CYS N N 22 127.400 127.400 127.780 -0.380 19328 1500 1 6 . 1 1 22 22 CYS HA H 22 4.500 4.500 4.739 -0.239 19328 1501 1 6 . 1 1 22 22 CYS C C 22 176.100 176.100 175.986 0.114 19328 1502 1 6 . 1 1 22 22 CYS CA C 22 60.600 60.600 59.644 0.956 19328 1503 1 6 . 1 1 22 22 CYS CB C 22 31.300 31.300 27.249 4.051 19328 1504 1 6 . 1 1 23 23 ASP N N 23 129.200 129.200 119.523 9.677 19328 1505 1 6 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.142 0.668 19328 1506 1 6 . 1 1 23 23 ASP C C 23 176.700 176.700 177.759 -1.059 19328 1507 1 6 . 1 1 23 23 ASP CA C 23 55.300 55.300 56.921 -1.621 19328 1508 1 6 . 1 1 23 23 ASP CB C 23 41.300 41.300 39.812 1.488 19328 1509 1 6 . 1 1 24 24 GLY N N 24 116.300 116.300 109.638 6.662 19328 1510 1 6 . 1 1 24 24 GLY C C 24 173.700 173.700 174.813 -1.113 19328 1511 1 6 . 1 1 24 24 GLY CA C 24 43.700 43.700 46.883 -3.183 19328 1512 1 6 . 1 1 25 25 SER N N 25 116.500 116.500 114.768 1.732 19328 1513 1 6 . 1 1 25 25 SER HA H 25 4.180 4.180 4.649 -0.469 19328 1514 1 6 . 1 1 25 25 SER C C 25 176.600 176.600 173.637 2.963 19328 1515 1 6 . 1 1 25 25 SER CA C 25 61.000 61.000 57.953 3.047 19328 1516 1 6 . 1 1 25 25 SER CB C 25 63.700 63.700 63.646 0.054 19328 1517 1 6 . 1 1 26 26 CYS N N 26 122.000 122.000 120.464 1.536 19328 1518 1 6 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.704 -0.304 19328 1519 1 6 . 1 1 26 26 CYS C C 26 176.500 176.500 174.733 1.767 19328 1520 1 6 . 1 1 26 26 CYS CA C 26 60.800 60.800 59.902 0.898 19328 1521 1 6 . 1 1 26 26 CYS CB C 26 29.600 29.600 30.083 -0.483 19328 1522 1 6 . 1 1 27 27 ASN N N 27 117.000 117.000 119.033 -2.033 19328 1523 1 6 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.360 0.460 19328 1524 1 6 . 1 1 27 27 ASN C C 27 174.900 174.900 173.391 1.509 19328 1525 1 6 . 1 1 27 27 ASN CA C 27 54.800 54.800 54.588 0.212 19328 1526 1 6 . 1 1 27 27 ASN CB C 27 39.500 39.500 37.545 1.955 19328 1527 1 6 . 1 1 28 28 GLN N N 28 120.700 120.700 113.556 7.144 19328 1528 1 6 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.252 0.108 19328 1529 1 6 . 1 1 28 28 GLN C C 28 174.600 174.600 173.528 1.072 19328 1530 1 6 . 1 1 28 28 GLN CA C 28 57.100 57.100 53.347 3.753 19328 1531 1 6 . 1 1 28 28 GLN CB C 28 31.500 31.500 31.014 0.486 19328 1532 1 6 . 1 1 29 29 TRP N N 29 119.600 119.600 118.814 0.786 19328 1533 1 6 . 1 1 29 29 TRP HA H 29 4.950 4.950 5.030 -0.080 19328 1534 1 6 . 1 1 29 29 TRP C C 29 175.400 175.400 173.637 1.763 19328 1535 1 6 . 1 1 29 29 TRP CA C 29 57.100 57.100 54.387 2.713 19328 1536 1 6 . 1 1 29 29 TRP CB C 29 30.500 30.500 31.449 -0.949 19328 1537 1 6 . 1 1 30 30 PHE N N 30 119.600 119.600 115.360 4.240 19328 1538 1 6 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.640 0.190 19328 1539 1 6 . 1 1 30 30 PHE C C 30 176.600 176.600 175.446 1.154 19328 1540 1 6 . 1 1 30 30 PHE CA C 30 56.400 56.400 55.825 0.575 19328 1541 1 6 . 1 1 30 30 PHE CB C 30 43.000 43.000 42.652 0.348 19328 1542 1 6 . 1 1 31 31 HIS N N 31 123.600 123.600 119.901 3.699 19328 1543 1 6 . 1 1 31 31 HIS HA H 31 4.230 4.230 5.243 -1.013 19328 1544 1 6 . 1 1 31 31 HIS C C 31 177.400 177.400 176.947 0.453 19328 1545 1 6 . 1 1 31 31 HIS CA C 31 57.100 57.100 55.771 1.329 19328 1546 1 6 . 1 1 31 31 HIS CB C 31 29.800 29.800 29.944 -0.144 19328 1547 1 6 . 1 1 32 32 GLN N N 32 124.100 124.100 121.610 2.490 19328 1548 1 6 . 1 1 32 32 GLN HA H 32 3.520 3.520 3.974 -0.454 19328 1549 1 6 . 1 1 32 32 GLN C C 32 179.100 179.100 178.034 1.066 19328 1550 1 6 . 1 1 32 32 GLN CA C 32 60.600 60.600 59.846 0.754 19328 1551 1 6 . 1 1 32 32 GLN CB C 32 26.900 26.900 28.647 -1.747 19328 1552 1 6 . 1 1 33 33 VAL N N 33 112.800 112.800 114.053 -1.253 19328 1553 1 6 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.969 0.101 19328 1554 1 6 . 1 1 33 33 VAL C C 33 178.200 178.200 176.584 1.616 19328 1555 1 6 . 1 1 33 33 VAL CA C 33 64.400 64.400 64.816 -0.416 19328 1556 1 6 . 1 1 33 33 VAL CB C 33 31.600 31.600 30.674 0.926 19328 1557 1 6 . 1 1 34 34 CYS N N 34 120.900 120.900 117.707 3.193 19328 1558 1 6 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.373 -0.293 19328 1559 1 6 . 1 1 34 34 CYS C C 34 177.100 177.100 175.800 1.300 19328 1560 1 6 . 1 1 34 34 CYS CA C 34 62.500 62.500 61.177 1.323 19328 1561 1 6 . 1 1 34 34 CYS CB C 34 29.500 29.500 27.779 1.721 19328 1562 1 6 . 1 1 35 35 VAL N N 35 106.500 106.500 112.234 -5.734 19328 1563 1 6 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.333 0.227 19328 1564 1 6 . 1 1 35 35 VAL C C 35 176.200 176.200 175.983 0.217 19328 1565 1 6 . 1 1 35 35 VAL CA C 35 60.100 60.100 60.922 -0.822 19328 1566 1 6 . 1 1 35 35 VAL CB C 35 31.800 31.800 32.429 -0.629 19328 1567 1 6 . 1 1 36 36 GLY N N 36 109.800 109.800 108.964 0.836 19328 1568 1 6 . 1 1 36 36 GLY C C 36 174.600 174.600 174.445 0.155 19328 1569 1 6 . 1 1 36 36 GLY CA C 36 46.900 46.900 45.875 1.025 19328 1570 1 6 . 1 1 37 37 VAL N N 37 119.000 119.000 120.465 -1.465 19328 1571 1 6 . 1 1 37 37 VAL HA H 37 4.330 4.330 3.782 0.548 19328 1572 1 6 . 1 1 37 37 VAL C C 37 174.000 174.000 175.805 -1.805 19328 1573 1 6 . 1 1 37 37 VAL CA C 37 60.800 60.800 63.080 -2.280 19328 1574 1 6 . 1 1 37 37 VAL CB C 37 34.200 34.200 31.971 2.229 19328 1575 1 6 . 1 1 38 38 SER N N 38 122.000 122.000 124.460 -2.460 19328 1576 1 6 . 1 1 38 38 SER HA H 38 4.900 4.900 4.687 0.213 19328 1577 1 6 . 1 1 38 38 SER C C 38 174.100 174.100 174.087 0.013 19328 1578 1 6 . 1 1 38 38 SER CA C 38 55.500 55.500 56.623 -1.123 19328 1579 1 6 . 1 1 38 38 SER CB C 38 63.800 63.800 63.316 0.484 19328 1580 1 6 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.101 0.259 19328 1581 1 6 . 1 1 39 39 PRO C C 39 179.300 179.300 178.241 1.059 19328 1582 1 6 . 1 1 39 39 PRO CA C 39 65.600 65.600 65.663 -0.063 19328 1583 1 6 . 1 1 39 39 PRO CB C 39 31.900 31.900 31.670 0.230 19328 1584 1 6 . 1 1 40 40 GLU N N 40 116.600 116.600 118.073 -1.473 19328 1585 1 6 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.080 0.080 19328 1586 1 6 . 1 1 40 40 GLU C C 40 178.500 178.500 178.364 0.136 19328 1587 1 6 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.436 -0.336 19328 1588 1 6 . 1 1 40 40 GLU CB C 40 29.200 29.200 29.276 -0.076 19328 1589 1 6 . 1 1 41 41 MET N N 41 119.300 119.300 117.769 1.531 19328 1590 1 6 . 1 1 41 41 MET HA H 41 4.260 4.260 4.301 -0.041 19328 1591 1 6 . 1 1 41 41 MET C C 41 178.200 178.200 178.850 -0.650 19328 1592 1 6 . 1 1 41 41 MET CA C 41 57.300 57.300 56.953 0.347 19328 1593 1 6 . 1 1 41 41 MET CB C 41 33.400 33.400 31.853 1.547 19328 1594 1 6 . 1 1 42 42 ALA N N 42 121.900 121.900 120.228 1.672 19328 1595 1 6 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.245 -0.105 19328 1596 1 6 . 1 1 42 42 ALA C C 42 179.100 179.100 178.772 0.328 19328 1597 1 6 . 1 1 42 42 ALA CA C 42 54.400 54.400 54.055 0.345 19328 1598 1 6 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.364 0.236 19328 1599 1 6 . 1 1 43 43 GLU N N 43 115.100 115.100 118.444 -3.344 19328 1600 1 6 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.213 0.117 19328 1601 1 6 . 1 1 43 43 GLU C C 43 177.600 177.600 178.259 -0.659 19328 1602 1 6 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.555 -1.055 19328 1603 1 6 . 1 1 43 43 GLU CB C 43 30.200 30.200 29.862 0.338 19328 1604 1 6 . 1 1 44 44 LYS N N 44 117.600 117.600 119.042 -1.442 19328 1605 1 6 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.202 0.128 19328 1606 1 6 . 1 1 44 44 LYS C C 44 176.200 176.200 176.793 -0.593 19328 1607 1 6 . 1 1 44 44 LYS CA C 44 57.500 57.500 57.081 0.419 19328 1608 1 6 . 1 1 44 44 LYS CB C 44 34.400 34.400 33.074 1.326 19328 1609 1 6 . 1 1 45 45 GLU N N 45 118.200 118.200 115.136 3.064 19328 1610 1 6 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.137 0.493 19328 1611 1 6 . 1 1 45 45 GLU C C 45 175.400 175.400 175.666 -0.266 19328 1612 1 6 . 1 1 45 45 GLU CA C 45 54.900 54.900 57.429 -2.529 19328 1613 1 6 . 1 1 45 45 GLU CB C 45 32.020 32.020 27.893 4.127 19328 1614 1 6 . 1 1 46 46 ASP N N 46 121.600 121.600 116.961 4.639 19328 1615 1 6 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.584 0.196 19328 1616 1 6 . 1 1 46 46 ASP C C 46 175.900 175.900 175.926 -0.026 19328 1617 1 6 . 1 1 46 46 ASP CA C 46 54.200 54.200 53.228 0.972 19328 1618 1 6 . 1 1 46 46 ASP CB C 46 41.000 41.000 40.035 0.965 19328 1619 1 6 . 1 1 47 47 TYR N N 47 124.600 124.600 122.765 1.835 19328 1620 1 6 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.505 0.045 19328 1621 1 6 . 1 1 47 47 TYR C C 47 172.200 172.200 173.359 -1.159 19328 1622 1 6 . 1 1 47 47 TYR CA C 47 58.000 58.000 57.651 0.349 19328 1623 1 6 . 1 1 47 47 TYR CB C 47 39.800 39.800 36.918 2.882 19328 1624 1 6 . 1 1 48 48 ILE N N 48 128.000 128.000 126.423 1.577 19328 1625 1 6 . 1 1 48 48 ILE HA H 48 4.470 4.470 4.343 0.127 19328 1626 1 6 . 1 1 48 48 ILE C C 48 174.800 174.800 175.111 -0.311 19328 1627 1 6 . 1 1 48 48 ILE CA C 48 58.600 58.600 59.006 -0.406 19328 1628 1 6 . 1 1 48 48 ILE CB C 48 38.300 38.300 38.087 0.213 19328 1629 1 6 . 1 1 49 49 CYS N N 49 130.100 130.100 125.895 4.205 19328 1630 1 6 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.179 -0.019 19328 1631 1 6 . 1 1 49 49 CYS C C 49 176.400 176.400 176.853 -0.453 19328 1632 1 6 . 1 1 49 49 CYS CA C 49 58.500 58.500 58.227 0.273 19328 1633 1 6 . 1 1 49 49 CYS CB C 49 31.800 31.800 27.714 4.086 19328 1634 1 6 . 1 1 50 50 VAL N N 50 116.100 116.100 122.541 -6.441 19328 1635 1 6 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.615 0.185 19328 1636 1 6 . 1 1 50 50 VAL C C 50 177.900 177.900 178.010 -0.110 19328 1637 1 6 . 1 1 50 50 VAL CA C 50 65.300 65.300 66.055 -0.755 19328 1638 1 6 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.657 0.143 19328 1639 1 6 . 1 1 51 51 ARG N N 51 121.800 121.800 118.722 3.078 19328 1640 1 6 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.116 0.124 19328 1641 1 6 . 1 1 51 51 ARG C C 51 178.900 178.900 178.530 0.370 19328 1642 1 6 . 1 1 51 51 ARG CA C 51 59.000 59.000 58.445 0.555 19328 1643 1 6 . 1 1 51 51 ARG CB C 51 30.300 30.300 28.906 1.394 19328 1644 1 6 . 1 1 52 52 CYS N N 52 123.700 123.700 118.187 5.513 19328 1645 1 6 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.650 -0.630 19328 1646 1 6 . 1 1 52 52 CYS C C 52 176.500 176.500 177.573 -1.073 19328 1647 1 6 . 1 1 52 52 CYS CA C 52 63.400 63.400 61.655 1.745 19328 1648 1 6 . 1 1 52 52 CYS CB C 52 30.100 30.100 26.160 3.940 19328 1649 1 6 . 1 1 53 53 THR N N 53 115.800 115.800 116.338 -0.538 19328 1650 1 6 . 1 1 53 53 THR HA H 53 3.860 3.860 4.102 -0.242 19328 1651 1 6 . 1 1 53 53 THR C C 53 174.900 174.900 175.849 -0.949 19328 1652 1 6 . 1 1 53 53 THR CA C 53 65.200 65.200 66.124 -0.924 19328 1653 1 6 . 1 1 53 53 THR CB C 53 69.400 69.400 68.420 0.980 19328 1654 1 6 . 1 1 54 54 VAL N N 54 120.900 120.900 120.293 0.607 19328 1655 1 6 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.757 0.263 19328 1656 1 6 . 1 1 54 54 VAL C C 54 176.600 176.600 177.491 -0.891 19328 1657 1 6 . 1 1 54 54 VAL CA C 54 63.200 63.200 65.177 -1.977 19328 1658 1 6 . 1 1 54 54 VAL CB C 54 32.400 32.400 31.375 1.026 19328 1659 1 6 . 1 1 55 55 LYS N N 55 123.100 123.100 118.996 4.104 19328 1660 1 6 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.119 0.091 19328 1661 1 6 . 1 1 55 55 LYS C C 55 176.700 176.700 176.699 0.001 19328 1662 1 6 . 1 1 55 55 LYS CA C 55 57.200 57.200 56.767 0.433 19328 1663 1 6 . 1 1 55 55 LYS CB C 55 33.100 33.100 32.393 0.707 19328 1664 1 6 . 1 1 56 56 ASP N N 56 119.600 119.600 116.414 3.186 19328 1665 1 6 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.279 0.301 19328 1666 1 6 . 1 1 56 56 ASP C C 56 175.600 175.600 174.921 0.679 19328 1667 1 6 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.888 -0.588 19328 1668 1 6 . 1 1 56 56 ASP CB C 56 40.800 40.800 39.872 0.928 19328 1669 1 6 . 1 1 57 57 ALA N N 57 124.700 124.700 121.772 2.928 19328 1670 1 6 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.646 -0.106 19328 1671 1 6 . 1 1 57 57 ALA CA C 57 51.100 51.100 50.227 0.872 19328 1672 1 6 . 1 1 57 57 ALA CB C 57 18.200 18.200 20.288 -2.088 19328 1673 1 6 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.487 -0.037 19328 1674 1 6 . 1 1 58 58 PRO C C 58 177.100 177.100 176.420 0.680 19328 1675 1 6 . 1 1 58 58 PRO CA C 58 63.500 63.500 61.868 1.632 19328 1676 1 6 . 1 1 58 58 PRO CB C 58 31.900 31.900 33.351 -1.451 19328 1677 1 6 . 1 1 59 59 SER N N 59 115.500 115.500 117.093 -1.593 19328 1678 1 6 . 1 1 59 59 SER HA H 59 4.430 4.430 4.429 0.001 19328 1679 1 6 . 1 1 59 59 SER C C 59 174.500 174.500 174.694 -0.194 19328 1680 1 6 . 1 1 59 59 SER CA C 59 58.300 58.300 58.042 0.258 19328 1681 1 6 . 1 1 59 59 SER CB C 59 63.700 63.700 62.210 1.490 19328 1682 1 6 . 1 1 60 60 ARG N N 60 123.600 123.600 125.417 -1.817 19328 1683 1 6 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.523 -0.133 19328 1684 1 6 . 1 1 60 60 ARG C C 60 175.300 175.300 174.590 0.710 19328 1685 1 6 . 1 1 60 60 ARG CA C 60 55.900 55.900 56.051 -0.151 19328 1686 1 6 . 1 1 60 60 ARG CB C 60 30.800 30.800 31.338 -0.538 19328 1687 1 7 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.854 -0.034 19328 1688 1 7 . 1 1 2 2 HIS C C 2 174.000 174.000 175.345 -1.345 19328 1689 1 7 . 1 1 2 2 HIS CA C 2 55.800 55.800 55.917 -0.117 19328 1690 1 7 . 1 1 2 2 HIS CB C 2 30.400 30.400 30.942 -0.542 19328 1691 1 7 . 1 1 3 3 MET N N 3 121.100 121.100 119.594 1.506 19328 1692 1 7 . 1 1 3 3 MET HA H 3 5.220 5.220 4.589 0.631 19328 1693 1 7 . 1 1 3 3 MET C C 3 176.100 176.100 175.546 0.554 19328 1694 1 7 . 1 1 3 3 MET CA C 3 55.800 55.800 55.851 -0.051 19328 1695 1 7 . 1 1 3 3 MET CB C 3 34.500 34.500 33.106 1.394 19328 1696 1 7 . 1 1 4 4 CYS N N 4 129.800 129.800 119.676 10.124 19328 1697 1 7 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.750 0.480 19328 1698 1 7 . 1 1 4 4 CYS CA C 4 57.000 57.000 57.270 -0.270 19328 1699 1 7 . 1 1 4 4 CYS CB C 4 30.200 30.200 29.752 0.448 19328 1700 1 7 . 1 1 5 5 PRO HA H 5 4.780 4.780 3.713 1.067 19328 1701 1 7 . 1 1 5 5 PRO C C 5 176.800 176.800 175.872 0.928 19328 1702 1 7 . 1 1 5 5 PRO CA C 5 63.300 63.300 63.511 -0.211 19328 1703 1 7 . 1 1 5 5 PRO CB C 5 30.100 30.100 32.032 -1.933 19328 1704 1 7 . 1 1 6 6 ALA N N 6 125.200 125.200 122.656 2.544 19328 1705 1 7 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.282 0.198 19328 1706 1 7 . 1 1 6 6 ALA C C 6 176.800 176.800 178.325 -1.525 19328 1707 1 7 . 1 1 6 6 ALA CA C 6 53.300 53.300 52.072 1.228 19328 1708 1 7 . 1 1 6 6 ALA CB C 6 20.200 20.200 19.342 0.858 19328 1709 1 7 . 1 1 7 7 VAL N N 7 121.500 121.500 122.600 -1.100 19328 1710 1 7 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.789 -0.059 19328 1711 1 7 . 1 1 7 7 VAL C C 7 177.600 177.600 176.942 0.658 19328 1712 1 7 . 1 1 7 7 VAL CA C 7 66.300 66.300 64.058 2.242 19328 1713 1 7 . 1 1 7 7 VAL CB C 7 31.300 31.300 31.780 -0.480 19328 1714 1 7 . 1 1 8 8 SER N N 8 113.200 113.200 115.702 -2.502 19328 1715 1 7 . 1 1 8 8 SER HA H 8 4.550 4.550 4.495 0.055 19328 1716 1 7 . 1 1 8 8 SER C C 8 172.900 172.900 173.324 -0.424 19328 1717 1 7 . 1 1 8 8 SER CA C 8 56.700 56.700 57.782 -1.083 19328 1718 1 7 . 1 1 8 8 SER CB C 8 63.300 63.300 62.954 0.346 19328 1719 1 7 . 1 1 9 9 CYS N N 9 126.000 126.000 126.760 -0.760 19328 1720 1 7 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.618 0.642 19328 1721 1 7 . 1 1 9 9 CYS C C 9 177.300 177.300 174.006 3.294 19328 1722 1 7 . 1 1 9 9 CYS CA C 9 58.200 58.200 57.999 0.201 19328 1723 1 7 . 1 1 9 9 CYS CB C 9 29.600 29.600 27.882 1.718 19328 1724 1 7 . 1 1 10 10 LEU N N 10 135.700 135.700 128.354 7.346 19328 1725 1 7 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.388 -0.208 19328 1726 1 7 . 1 1 10 10 LEU C C 10 176.300 176.300 176.734 -0.434 19328 1727 1 7 . 1 1 10 10 LEU CA C 10 55.900 55.900 55.558 0.342 19328 1728 1 7 . 1 1 10 10 LEU CB C 10 41.500 41.500 42.856 -1.356 19328 1729 1 7 . 1 1 11 11 GLN N N 11 120.100 120.100 120.786 -0.686 19328 1730 1 7 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.677 -0.807 19328 1731 1 7 . 1 1 11 11 GLN CA C 11 55.400 55.400 54.264 1.136 19328 1732 1 7 . 1 1 11 11 GLN CB C 11 28.100 28.100 28.561 -0.461 19328 1733 1 7 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.630 -0.400 19328 1734 1 7 . 1 1 12 12 PRO C C 12 176.700 176.700 176.377 0.323 19328 1735 1 7 . 1 1 12 12 PRO CA C 12 62.700 62.700 62.374 0.326 19328 1736 1 7 . 1 1 12 12 PRO CB C 12 31.300 31.300 32.967 -1.667 19328 1737 1 7 . 1 1 13 13 GLU N N 13 120.800 120.800 120.224 0.576 19328 1738 1 7 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.339 0.001 19328 1739 1 7 . 1 1 13 13 GLU C C 13 176.700 176.700 176.932 -0.232 19328 1740 1 7 . 1 1 13 13 GLU CA C 13 55.600 55.600 56.241 -0.641 19328 1741 1 7 . 1 1 13 13 GLU CB C 13 32.100 32.100 29.603 2.497 19328 1742 1 7 . 1 1 14 14 GLY N N 14 109.000 109.000 112.910 -3.910 19328 1743 1 7 . 1 1 14 14 GLY C C 14 174.100 174.100 173.495 0.605 19328 1744 1 7 . 1 1 14 14 GLY CA C 14 44.800 44.800 46.190 -1.389 19328 1745 1 7 . 1 1 15 15 ASP N N 15 118.800 118.800 124.159 -5.359 19328 1746 1 7 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.578 0.102 19328 1747 1 7 . 1 1 15 15 ASP C C 15 177.000 177.000 176.503 0.497 19328 1748 1 7 . 1 1 15 15 ASP CA C 15 55.500 55.500 54.963 0.537 19328 1749 1 7 . 1 1 15 15 ASP CB C 15 41.400 41.400 41.270 0.130 19328 1750 1 7 . 1 1 16 16 GLU N N 16 120.100 120.100 120.827 -0.727 19328 1751 1 7 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.434 0.126 19328 1752 1 7 . 1 1 16 16 GLU C C 16 175.400 175.400 176.372 -0.972 19328 1753 1 7 . 1 1 16 16 GLU CA C 16 55.600 55.600 56.226 -0.626 19328 1754 1 7 . 1 1 16 16 GLU CB C 16 29.200 29.200 30.240 -1.040 19328 1755 1 7 . 1 1 17 17 VAL N N 17 120.100 120.100 120.979 -0.879 19328 1756 1 7 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.137 -0.177 19328 1757 1 7 . 1 1 17 17 VAL C C 17 174.500 174.500 175.663 -1.163 19328 1758 1 7 . 1 1 17 17 VAL CA C 17 61.600 61.600 62.738 -1.138 19328 1759 1 7 . 1 1 17 17 VAL CB C 17 33.200 33.200 32.374 0.826 19328 1760 1 7 . 1 1 18 18 ASP N N 18 122.700 122.700 127.561 -4.861 19328 1761 1 7 . 1 1 18 18 ASP HA H 18 5.130 5.130 5.038 0.092 19328 1762 1 7 . 1 1 18 18 ASP C C 18 176.900 176.900 175.736 1.164 19328 1763 1 7 . 1 1 18 18 ASP CA C 18 54.200 54.200 53.841 0.359 19328 1764 1 7 . 1 1 18 18 ASP CB C 18 42.500 42.500 43.170 -0.670 19328 1765 1 7 . 1 1 19 19 TRP N N 19 124.200 124.200 121.954 2.246 19328 1766 1 7 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.289 0.351 19328 1767 1 7 . 1 1 19 19 TRP C C 19 176.200 176.200 175.830 0.370 19328 1768 1 7 . 1 1 19 19 TRP CA C 19 57.300 57.300 55.919 1.381 19328 1769 1 7 . 1 1 19 19 TRP CB C 19 34.100 34.100 32.644 1.456 19328 1770 1 7 . 1 1 20 20 VAL N N 20 121.500 121.500 118.593 2.907 19328 1771 1 7 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.507 0.293 19328 1772 1 7 . 1 1 20 20 VAL C C 20 170.800 170.800 173.405 -2.605 19328 1773 1 7 . 1 1 20 20 VAL CA C 20 60.600 60.600 61.184 -0.584 19328 1774 1 7 . 1 1 20 20 VAL CB C 20 35.300 35.300 36.735 -1.435 19328 1775 1 7 . 1 1 21 21 GLN N N 21 131.300 131.300 125.940 5.360 19328 1776 1 7 . 1 1 21 21 GLN HA H 21 4.480 4.480 3.416 1.064 19328 1777 1 7 . 1 1 21 21 GLN C C 21 175.300 175.300 173.878 1.422 19328 1778 1 7 . 1 1 21 21 GLN CA C 21 53.600 53.600 55.409 -1.809 19328 1779 1 7 . 1 1 21 21 GLN CB C 21 28.300 28.300 29.759 -1.458 19328 1780 1 7 . 1 1 22 22 CYS N N 22 127.400 127.400 128.087 -0.687 19328 1781 1 7 . 1 1 22 22 CYS HA H 22 4.500 4.500 5.207 -0.707 19328 1782 1 7 . 1 1 22 22 CYS C C 22 176.100 176.100 174.397 1.703 19328 1783 1 7 . 1 1 22 22 CYS CA C 22 60.600 60.600 56.559 4.041 19328 1784 1 7 . 1 1 22 22 CYS CB C 22 31.300 31.300 25.951 5.348 19328 1785 1 7 . 1 1 23 23 ASP N N 23 129.200 129.200 124.895 4.305 19328 1786 1 7 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.611 0.199 19328 1787 1 7 . 1 1 23 23 ASP C C 23 176.700 176.700 176.635 0.065 19328 1788 1 7 . 1 1 23 23 ASP CA C 23 55.300 55.300 54.194 1.106 19328 1789 1 7 . 1 1 23 23 ASP CB C 23 41.300 41.300 40.713 0.587 19328 1790 1 7 . 1 1 24 24 GLY N N 24 116.300 116.300 107.111 9.189 19328 1791 1 7 . 1 1 24 24 GLY C C 24 173.700 173.700 173.334 0.366 19328 1792 1 7 . 1 1 24 24 GLY CA C 24 43.700 43.700 45.137 -1.437 19328 1793 1 7 . 1 1 25 25 SER N N 25 116.500 116.500 112.744 3.756 19328 1794 1 7 . 1 1 25 25 SER HA H 25 4.180 4.180 4.242 -0.062 19328 1795 1 7 . 1 1 25 25 SER C C 25 176.600 176.600 173.502 3.098 19328 1796 1 7 . 1 1 25 25 SER CA C 25 61.000 61.000 58.764 2.236 19328 1797 1 7 . 1 1 25 25 SER CB C 25 63.700 63.700 62.478 1.222 19328 1798 1 7 . 1 1 26 26 CYS N N 26 122.000 122.000 116.754 5.246 19328 1799 1 7 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.621 -0.221 19328 1800 1 7 . 1 1 26 26 CYS C C 26 176.500 176.500 173.960 2.540 19328 1801 1 7 . 1 1 26 26 CYS CA C 26 60.800 60.800 59.109 1.691 19328 1802 1 7 . 1 1 26 26 CYS CB C 26 29.600 29.600 28.779 0.822 19328 1803 1 7 . 1 1 27 27 ASN N N 27 117.000 117.000 118.725 -1.725 19328 1804 1 7 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.422 0.398 19328 1805 1 7 . 1 1 27 27 ASN C C 27 174.900 174.900 174.311 0.589 19328 1806 1 7 . 1 1 27 27 ASN CA C 27 54.800 54.800 54.153 0.647 19328 1807 1 7 . 1 1 27 27 ASN CB C 27 39.500 39.500 37.865 1.635 19328 1808 1 7 . 1 1 28 28 GLN N N 28 120.700 120.700 118.661 2.039 19328 1809 1 7 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.269 0.091 19328 1810 1 7 . 1 1 28 28 GLN C C 28 174.600 174.600 175.682 -1.082 19328 1811 1 7 . 1 1 28 28 GLN CA C 28 57.100 57.100 56.201 0.899 19328 1812 1 7 . 1 1 28 28 GLN CB C 28 31.500 31.500 28.709 2.791 19328 1813 1 7 . 1 1 29 29 TRP N N 29 119.600 119.600 124.554 -4.954 19328 1814 1 7 . 1 1 29 29 TRP HA H 29 4.950 4.950 4.833 0.117 19328 1815 1 7 . 1 1 29 29 TRP C C 29 175.400 175.400 176.169 -0.769 19328 1816 1 7 . 1 1 29 29 TRP CA C 29 57.100 57.100 57.242 -0.142 19328 1817 1 7 . 1 1 29 29 TRP CB C 29 30.500 30.500 30.267 0.233 19328 1818 1 7 . 1 1 30 30 PHE N N 30 119.600 119.600 122.539 -2.939 19328 1819 1 7 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.301 0.529 19328 1820 1 7 . 1 1 30 30 PHE C C 30 176.600 176.600 174.485 2.115 19328 1821 1 7 . 1 1 30 30 PHE CA C 30 56.400 56.400 55.699 0.701 19328 1822 1 7 . 1 1 30 30 PHE CB C 30 43.000 43.000 42.414 0.586 19328 1823 1 7 . 1 1 31 31 HIS N N 31 123.600 123.600 119.360 4.240 19328 1824 1 7 . 1 1 31 31 HIS HA H 31 4.230 4.230 4.434 -0.204 19328 1825 1 7 . 1 1 31 31 HIS C C 31 177.400 177.400 176.256 1.144 19328 1826 1 7 . 1 1 31 31 HIS CA C 31 57.100 57.100 55.069 2.031 19328 1827 1 7 . 1 1 31 31 HIS CB C 31 29.800 29.800 29.224 0.576 19328 1828 1 7 . 1 1 32 32 GLN N N 32 124.100 124.100 121.933 2.167 19328 1829 1 7 . 1 1 32 32 GLN HA H 32 3.520 3.520 3.892 -0.372 19328 1830 1 7 . 1 1 32 32 GLN C C 32 179.100 179.100 177.682 1.418 19328 1831 1 7 . 1 1 32 32 GLN CA C 32 60.600 60.600 59.530 1.070 19328 1832 1 7 . 1 1 32 32 GLN CB C 32 26.900 26.900 28.892 -1.992 19328 1833 1 7 . 1 1 33 33 VAL N N 33 112.800 112.800 114.292 -1.492 19328 1834 1 7 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.888 0.182 19328 1835 1 7 . 1 1 33 33 VAL C C 33 178.200 178.200 176.963 1.237 19328 1836 1 7 . 1 1 33 33 VAL CA C 33 64.400 64.400 64.817 -0.417 19328 1837 1 7 . 1 1 33 33 VAL CB C 33 31.600 31.600 30.688 0.912 19328 1838 1 7 . 1 1 34 34 CYS N N 34 120.900 120.900 117.941 2.959 19328 1839 1 7 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.258 -0.178 19328 1840 1 7 . 1 1 34 34 CYS C C 34 177.100 177.100 175.655 1.445 19328 1841 1 7 . 1 1 34 34 CYS CA C 34 62.500 62.500 61.092 1.408 19328 1842 1 7 . 1 1 34 34 CYS CB C 34 29.500 29.500 26.165 3.336 19328 1843 1 7 . 1 1 35 35 VAL N N 35 106.500 106.500 113.286 -6.786 19328 1844 1 7 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.102 0.458 19328 1845 1 7 . 1 1 35 35 VAL C C 35 176.200 176.200 176.235 -0.035 19328 1846 1 7 . 1 1 35 35 VAL CA C 35 60.100 60.100 60.527 -0.427 19328 1847 1 7 . 1 1 35 35 VAL CB C 35 31.800 31.800 31.839 -0.039 19328 1848 1 7 . 1 1 36 36 GLY N N 36 109.800 109.800 108.645 1.155 19328 1849 1 7 . 1 1 36 36 GLY C C 36 174.600 174.600 174.498 0.102 19328 1850 1 7 . 1 1 36 36 GLY CA C 36 46.900 46.900 45.853 1.047 19328 1851 1 7 . 1 1 37 37 VAL N N 37 119.000 119.000 120.399 -1.399 19328 1852 1 7 . 1 1 37 37 VAL HA H 37 4.330 4.330 3.839 0.491 19328 1853 1 7 . 1 1 37 37 VAL C C 37 174.000 174.000 176.430 -2.430 19328 1854 1 7 . 1 1 37 37 VAL CA C 37 60.800 60.800 63.404 -2.604 19328 1855 1 7 . 1 1 37 37 VAL CB C 37 34.200 34.200 31.573 2.627 19328 1856 1 7 . 1 1 38 38 SER N N 38 122.000 122.000 125.344 -3.344 19328 1857 1 7 . 1 1 38 38 SER HA H 38 4.900 4.900 4.635 0.265 19328 1858 1 7 . 1 1 38 38 SER C C 38 174.100 174.100 174.277 -0.177 19328 1859 1 7 . 1 1 38 38 SER CA C 38 55.500 55.500 57.033 -1.533 19328 1860 1 7 . 1 1 38 38 SER CB C 38 63.800 63.800 63.277 0.523 19328 1861 1 7 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.171 0.189 19328 1862 1 7 . 1 1 39 39 PRO C C 39 179.300 179.300 178.617 0.683 19328 1863 1 7 . 1 1 39 39 PRO CA C 39 65.600 65.600 66.047 -0.447 19328 1864 1 7 . 1 1 39 39 PRO CB C 39 31.900 31.900 31.857 0.043 19328 1865 1 7 . 1 1 40 40 GLU N N 40 116.600 116.600 118.415 -1.815 19328 1866 1 7 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.156 0.004 19328 1867 1 7 . 1 1 40 40 GLU C C 40 178.500 178.500 178.846 -0.346 19328 1868 1 7 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.511 -0.411 19328 1869 1 7 . 1 1 40 40 GLU CB C 40 29.200 29.200 29.376 -0.176 19328 1870 1 7 . 1 1 41 41 MET N N 41 119.300 119.300 117.785 1.515 19328 1871 1 7 . 1 1 41 41 MET HA H 41 4.260 4.260 4.160 0.100 19328 1872 1 7 . 1 1 41 41 MET C C 41 178.200 178.200 178.351 -0.151 19328 1873 1 7 . 1 1 41 41 MET CA C 41 57.300 57.300 58.475 -1.175 19328 1874 1 7 . 1 1 41 41 MET CB C 41 33.400 33.400 32.445 0.955 19328 1875 1 7 . 1 1 42 42 ALA N N 42 121.900 121.900 120.435 1.465 19328 1876 1 7 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.418 -0.278 19328 1877 1 7 . 1 1 42 42 ALA C C 42 179.100 179.100 178.705 0.395 19328 1878 1 7 . 1 1 42 42 ALA CA C 42 54.400 54.400 54.071 0.329 19328 1879 1 7 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.716 -0.116 19328 1880 1 7 . 1 1 43 43 GLU N N 43 115.100 115.100 117.719 -2.619 19328 1881 1 7 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.167 0.163 19328 1882 1 7 . 1 1 43 43 GLU C C 43 177.600 177.600 178.409 -0.809 19328 1883 1 7 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.367 -0.867 19328 1884 1 7 . 1 1 43 43 GLU CB C 43 30.200 30.200 29.663 0.537 19328 1885 1 7 . 1 1 44 44 LYS N N 44 117.600 117.600 118.857 -1.257 19328 1886 1 7 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.209 0.121 19328 1887 1 7 . 1 1 44 44 LYS C C 44 176.200 176.200 176.929 -0.729 19328 1888 1 7 . 1 1 44 44 LYS CA C 44 57.500 57.500 57.691 -0.191 19328 1889 1 7 . 1 1 44 44 LYS CB C 44 34.400 34.400 33.735 0.665 19328 1890 1 7 . 1 1 45 45 GLU N N 45 118.200 118.200 115.287 2.913 19328 1891 1 7 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.566 0.064 19328 1892 1 7 . 1 1 45 45 GLU C C 45 175.400 175.400 173.907 1.493 19328 1893 1 7 . 1 1 45 45 GLU CA C 45 54.900 54.900 55.295 -0.396 19328 1894 1 7 . 1 1 45 45 GLU CB C 45 32.020 32.020 31.013 1.007 19328 1895 1 7 . 1 1 46 46 ASP N N 46 121.600 121.600 118.780 2.820 19328 1896 1 7 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.707 0.073 19328 1897 1 7 . 1 1 46 46 ASP C C 46 175.900 175.900 175.153 0.747 19328 1898 1 7 . 1 1 46 46 ASP CA C 46 54.200 54.200 54.561 -0.361 19328 1899 1 7 . 1 1 46 46 ASP CB C 46 41.000 41.000 41.619 -0.619 19328 1900 1 7 . 1 1 47 47 TYR N N 47 124.600 124.600 121.025 3.575 19328 1901 1 7 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.574 -0.024 19328 1902 1 7 . 1 1 47 47 TYR C C 47 172.200 172.200 174.470 -2.270 19328 1903 1 7 . 1 1 47 47 TYR CA C 47 58.000 58.000 58.708 -0.708 19328 1904 1 7 . 1 1 47 47 TYR CB C 47 39.800 39.800 39.750 0.050 19328 1905 1 7 . 1 1 48 48 ILE N N 48 128.000 128.000 126.974 1.026 19328 1906 1 7 . 1 1 48 48 ILE HA H 48 4.470 4.470 4.069 0.401 19328 1907 1 7 . 1 1 48 48 ILE C C 48 174.800 174.800 175.140 -0.340 19328 1908 1 7 . 1 1 48 48 ILE CA C 48 58.600 58.600 59.137 -0.537 19328 1909 1 7 . 1 1 48 48 ILE CB C 48 38.300 38.300 38.639 -0.339 19328 1910 1 7 . 1 1 49 49 CYS N N 49 130.100 130.100 125.050 5.050 19328 1911 1 7 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.476 -0.316 19328 1912 1 7 . 1 1 49 49 CYS C C 49 176.400 176.400 175.745 0.655 19328 1913 1 7 . 1 1 49 49 CYS CA C 49 58.500 58.500 56.026 2.474 19328 1914 1 7 . 1 1 49 49 CYS CB C 49 31.800 31.800 29.448 2.352 19328 1915 1 7 . 1 1 50 50 VAL N N 50 116.100 116.100 121.043 -4.943 19328 1916 1 7 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.731 0.069 19328 1917 1 7 . 1 1 50 50 VAL C C 50 177.900 177.900 177.158 0.742 19328 1918 1 7 . 1 1 50 50 VAL CA C 50 65.300 65.300 65.351 -0.051 19328 1919 1 7 . 1 1 50 50 VAL CB C 50 31.800 31.800 32.351 -0.551 19328 1920 1 7 . 1 1 51 51 ARG N N 51 121.800 121.800 119.146 2.654 19328 1921 1 7 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.021 0.219 19328 1922 1 7 . 1 1 51 51 ARG C C 51 178.900 178.900 178.038 0.862 19328 1923 1 7 . 1 1 51 51 ARG CA C 51 59.000 59.000 59.011 -0.011 19328 1924 1 7 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.543 0.757 19328 1925 1 7 . 1 1 52 52 CYS N N 52 123.700 123.700 118.410 5.290 19328 1926 1 7 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.241 -0.221 19328 1927 1 7 . 1 1 52 52 CYS C C 52 176.500 176.500 176.968 -0.468 19328 1928 1 7 . 1 1 52 52 CYS CA C 52 63.400 63.400 63.139 0.261 19328 1929 1 7 . 1 1 52 52 CYS CB C 52 30.100 30.100 25.887 4.213 19328 1930 1 7 . 1 1 53 53 THR N N 53 115.800 115.800 117.074 -1.274 19328 1931 1 7 . 1 1 53 53 THR HA H 53 3.860 3.860 4.130 -0.270 19328 1932 1 7 . 1 1 53 53 THR C C 53 174.900 174.900 176.868 -1.968 19328 1933 1 7 . 1 1 53 53 THR CA C 53 65.200 65.200 66.539 -1.339 19328 1934 1 7 . 1 1 53 53 THR CB C 53 69.400 69.400 68.276 1.123 19328 1935 1 7 . 1 1 54 54 VAL N N 54 120.900 120.900 120.020 0.880 19328 1936 1 7 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.809 0.211 19328 1937 1 7 . 1 1 54 54 VAL C C 54 176.600 176.600 177.046 -0.446 19328 1938 1 7 . 1 1 54 54 VAL CA C 54 63.200 63.200 64.973 -1.773 19328 1939 1 7 . 1 1 54 54 VAL CB C 54 32.400 32.400 31.902 0.498 19328 1940 1 7 . 1 1 55 55 LYS N N 55 123.100 123.100 120.819 2.281 19328 1941 1 7 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.130 0.080 19328 1942 1 7 . 1 1 55 55 LYS C C 55 176.700 176.700 178.117 -1.417 19328 1943 1 7 . 1 1 55 55 LYS CA C 55 57.200 57.200 58.471 -1.271 19328 1944 1 7 . 1 1 55 55 LYS CB C 55 33.100 33.100 32.717 0.383 19328 1945 1 7 . 1 1 56 56 ASP N N 56 119.600 119.600 116.639 2.961 19328 1946 1 7 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.607 -0.027 19328 1947 1 7 . 1 1 56 56 ASP C C 56 175.600 175.600 176.651 -1.051 19328 1948 1 7 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.945 -0.645 19328 1949 1 7 . 1 1 56 56 ASP CB C 56 40.800 40.800 42.451 -1.651 19328 1950 1 7 . 1 1 57 57 ALA N N 57 124.700 124.700 123.103 1.597 19328 1951 1 7 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.690 -0.150 19328 1952 1 7 . 1 1 57 57 ALA CA C 57 51.100 51.100 50.201 0.899 19328 1953 1 7 . 1 1 57 57 ALA CB C 57 18.200 18.200 19.317 -1.117 19328 1954 1 7 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.499 -0.049 19328 1955 1 7 . 1 1 58 58 PRO C C 58 177.100 177.100 177.178 -0.078 19328 1956 1 7 . 1 1 58 58 PRO CA C 58 63.500 63.500 62.461 1.039 19328 1957 1 7 . 1 1 58 58 PRO CB C 58 31.900 31.900 32.411 -0.511 19328 1958 1 7 . 1 1 59 59 SER N N 59 115.500 115.500 118.886 -3.386 19328 1959 1 7 . 1 1 59 59 SER HA H 59 4.430 4.430 4.443 -0.013 19328 1960 1 7 . 1 1 59 59 SER C C 59 174.500 174.500 174.549 -0.049 19328 1961 1 7 . 1 1 59 59 SER CA C 59 58.300 58.300 57.764 0.535 19328 1962 1 7 . 1 1 59 59 SER CB C 59 63.700 63.700 61.932 1.768 19328 1963 1 7 . 1 1 60 60 ARG N N 60 123.600 123.600 116.016 7.584 19328 1964 1 7 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.043 0.347 19328 1965 1 7 . 1 1 60 60 ARG C C 60 175.300 175.300 174.373 0.927 19328 1966 1 7 . 1 1 60 60 ARG CA C 60 55.900 55.900 57.913 -2.013 19328 1967 1 7 . 1 1 60 60 ARG CB C 60 30.800 30.800 29.159 1.641 19328 1968 1 8 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.712 0.108 19328 1969 1 8 . 1 1 2 2 HIS C C 2 174.000 174.000 174.248 -0.248 19328 1970 1 8 . 1 1 2 2 HIS CA C 2 55.800 55.800 55.296 0.504 19328 1971 1 8 . 1 1 2 2 HIS CB C 2 30.400 30.400 30.553 -0.153 19328 1972 1 8 . 1 1 3 3 MET N N 3 121.100 121.100 121.659 -0.559 19328 1973 1 8 . 1 1 3 3 MET HA H 3 5.220 5.220 4.443 0.777 19328 1974 1 8 . 1 1 3 3 MET C C 3 176.100 176.100 175.814 0.286 19328 1975 1 8 . 1 1 3 3 MET CA C 3 55.800 55.800 55.316 0.484 19328 1976 1 8 . 1 1 3 3 MET CB C 3 34.500 34.500 33.236 1.264 19328 1977 1 8 . 1 1 4 4 CYS N N 4 129.800 129.800 118.672 11.128 19328 1978 1 8 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.115 1.115 19328 1979 1 8 . 1 1 4 4 CYS CA C 4 57.000 57.000 56.271 0.729 19328 1980 1 8 . 1 1 4 4 CYS CB C 4 30.200 30.200 24.812 5.388 19328 1981 1 8 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.443 0.337 19328 1982 1 8 . 1 1 5 5 PRO C C 5 176.800 176.800 175.717 1.083 19328 1983 1 8 . 1 1 5 5 PRO CA C 5 63.300 63.300 63.725 -0.425 19328 1984 1 8 . 1 1 5 5 PRO CB C 5 30.100 30.100 31.286 -1.186 19328 1985 1 8 . 1 1 6 6 ALA N N 6 125.200 125.200 125.728 -0.528 19328 1986 1 8 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.678 -0.198 19328 1987 1 8 . 1 1 6 6 ALA C C 6 176.800 176.800 176.147 0.653 19328 1988 1 8 . 1 1 6 6 ALA CA C 6 53.300 53.300 50.492 2.808 19328 1989 1 8 . 1 1 6 6 ALA CB C 6 20.200 20.200 21.770 -1.569 19328 1990 1 8 . 1 1 7 7 VAL N N 7 121.500 121.500 116.970 4.530 19328 1991 1 8 . 1 1 7 7 VAL HA H 7 3.730 3.730 4.087 -0.357 19328 1992 1 8 . 1 1 7 7 VAL C C 7 177.600 177.600 175.372 2.228 19328 1993 1 8 . 1 1 7 7 VAL CA C 7 66.300 66.300 61.653 4.647 19328 1994 1 8 . 1 1 7 7 VAL CB C 7 31.300 31.300 29.126 2.174 19328 1995 1 8 . 1 1 8 8 SER N N 8 113.200 113.200 117.113 -3.913 19328 1996 1 8 . 1 1 8 8 SER HA H 8 4.550 4.550 4.173 0.377 19328 1997 1 8 . 1 1 8 8 SER C C 8 172.900 172.900 174.342 -1.442 19328 1998 1 8 . 1 1 8 8 SER CA C 8 56.700 56.700 59.237 -2.537 19328 1999 1 8 . 1 1 8 8 SER CB C 8 63.300 63.300 63.257 0.043 19328 2000 1 8 . 1 1 9 9 CYS N N 9 126.000 126.000 125.441 0.559 19328 2001 1 8 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.483 0.777 19328 2002 1 8 . 1 1 9 9 CYS C C 9 177.300 177.300 175.596 1.704 19328 2003 1 8 . 1 1 9 9 CYS CA C 9 58.200 58.200 58.147 0.053 19328 2004 1 8 . 1 1 9 9 CYS CB C 9 29.600 29.600 25.218 4.381 19328 2005 1 8 . 1 1 10 10 LEU N N 10 135.700 135.700 127.669 8.031 19328 2006 1 8 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.327 -0.147 19328 2007 1 8 . 1 1 10 10 LEU C C 10 176.300 176.300 176.353 -0.053 19328 2008 1 8 . 1 1 10 10 LEU CA C 10 55.900 55.900 55.317 0.583 19328 2009 1 8 . 1 1 10 10 LEU CB C 10 41.500 41.500 42.805 -1.305 19328 2010 1 8 . 1 1 11 11 GLN N N 11 120.100 120.100 121.486 -1.386 19328 2011 1 8 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.611 -0.741 19328 2012 1 8 . 1 1 11 11 GLN CA C 11 55.400 55.400 53.815 1.585 19328 2013 1 8 . 1 1 11 11 GLN CB C 11 28.100 28.100 28.538 -0.438 19328 2014 1 8 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.554 -0.324 19328 2015 1 8 . 1 1 12 12 PRO C C 12 176.700 176.700 176.366 0.334 19328 2016 1 8 . 1 1 12 12 PRO CA C 12 62.700 62.700 62.542 0.158 19328 2017 1 8 . 1 1 12 12 PRO CB C 12 31.300 31.300 32.326 -1.026 19328 2018 1 8 . 1 1 13 13 GLU N N 13 120.800 120.800 121.227 -0.427 19328 2019 1 8 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.523 -0.183 19328 2020 1 8 . 1 1 13 13 GLU C C 13 176.700 176.700 175.795 0.905 19328 2021 1 8 . 1 1 13 13 GLU CA C 13 55.600 55.600 56.158 -0.558 19328 2022 1 8 . 1 1 13 13 GLU CB C 13 32.100 32.100 29.637 2.463 19328 2023 1 8 . 1 1 14 14 GLY N N 14 109.000 109.000 109.931 -0.931 19328 2024 1 8 . 1 1 14 14 GLY C C 14 174.100 174.100 173.241 0.859 19328 2025 1 8 . 1 1 14 14 GLY CA C 14 44.800 44.800 44.957 -0.157 19328 2026 1 8 . 1 1 15 15 ASP N N 15 118.800 118.800 118.146 0.654 19328 2027 1 8 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.621 0.059 19328 2028 1 8 . 1 1 15 15 ASP C C 15 177.000 177.000 177.324 -0.324 19328 2029 1 8 . 1 1 15 15 ASP CA C 15 55.500 55.500 54.362 1.138 19328 2030 1 8 . 1 1 15 15 ASP CB C 15 41.400 41.400 41.415 -0.015 19328 2031 1 8 . 1 1 16 16 GLU N N 16 120.100 120.100 119.411 0.689 19328 2032 1 8 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.452 0.108 19328 2033 1 8 . 1 1 16 16 GLU C C 16 175.400 175.400 176.531 -1.131 19328 2034 1 8 . 1 1 16 16 GLU CA C 16 55.600 55.600 55.994 -0.394 19328 2035 1 8 . 1 1 16 16 GLU CB C 16 29.200 29.200 29.281 -0.081 19328 2036 1 8 . 1 1 17 17 VAL N N 17 120.100 120.100 118.734 1.366 19328 2037 1 8 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.181 -0.221 19328 2038 1 8 . 1 1 17 17 VAL C C 17 174.500 174.500 174.801 -0.301 19328 2039 1 8 . 1 1 17 17 VAL CA C 17 61.600 61.600 61.184 0.416 19328 2040 1 8 . 1 1 17 17 VAL CB C 17 33.200 33.200 30.629 2.571 19328 2041 1 8 . 1 1 18 18 ASP N N 18 122.700 122.700 123.874 -1.174 19328 2042 1 8 . 1 1 18 18 ASP HA H 18 5.130 5.130 4.839 0.291 19328 2043 1 8 . 1 1 18 18 ASP C C 18 176.900 176.900 175.573 1.327 19328 2044 1 8 . 1 1 18 18 ASP CA C 18 54.200 54.200 54.535 -0.335 19328 2045 1 8 . 1 1 18 18 ASP CB C 18 42.500 42.500 43.424 -0.924 19328 2046 1 8 . 1 1 19 19 TRP N N 19 124.200 124.200 120.930 3.270 19328 2047 1 8 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.245 0.395 19328 2048 1 8 . 1 1 19 19 TRP C C 19 176.200 176.200 176.288 -0.088 19328 2049 1 8 . 1 1 19 19 TRP CA C 19 57.300 57.300 55.868 1.432 19328 2050 1 8 . 1 1 19 19 TRP CB C 19 34.100 34.100 31.162 2.938 19328 2051 1 8 . 1 1 20 20 VAL N N 20 121.500 121.500 123.597 -2.097 19328 2052 1 8 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.459 0.341 19328 2053 1 8 . 1 1 20 20 VAL C C 20 170.800 170.800 174.815 -4.015 19328 2054 1 8 . 1 1 20 20 VAL CA C 20 60.600 60.600 59.848 0.752 19328 2055 1 8 . 1 1 20 20 VAL CB C 20 35.300 35.300 35.411 -0.111 19328 2056 1 8 . 1 1 21 21 GLN N N 21 131.300 131.300 127.043 4.257 19328 2057 1 8 . 1 1 21 21 GLN HA H 21 4.480 4.480 4.000 0.480 19328 2058 1 8 . 1 1 21 21 GLN C C 21 175.300 175.300 174.590 0.710 19328 2059 1 8 . 1 1 21 21 GLN CA C 21 53.600 53.600 56.122 -2.522 19328 2060 1 8 . 1 1 21 21 GLN CB C 21 28.300 28.300 29.596 -1.296 19328 2061 1 8 . 1 1 22 22 CYS N N 22 127.400 127.400 125.037 2.363 19328 2062 1 8 . 1 1 22 22 CYS HA H 22 4.500 4.500 5.225 -0.725 19328 2063 1 8 . 1 1 22 22 CYS C C 22 176.100 176.100 175.709 0.391 19328 2064 1 8 . 1 1 22 22 CYS CA C 22 60.600 60.600 56.620 3.981 19328 2065 1 8 . 1 1 22 22 CYS CB C 22 31.300 31.300 25.363 5.937 19328 2066 1 8 . 1 1 23 23 ASP N N 23 129.200 129.200 124.295 4.905 19328 2067 1 8 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.307 0.503 19328 2068 1 8 . 1 1 23 23 ASP C C 23 176.700 176.700 178.088 -1.388 19328 2069 1 8 . 1 1 23 23 ASP CA C 23 55.300 55.300 58.224 -2.924 19328 2070 1 8 . 1 1 23 23 ASP CB C 23 41.300 41.300 40.683 0.617 19328 2071 1 8 . 1 1 24 24 GLY N N 24 116.300 116.300 106.874 9.426 19328 2072 1 8 . 1 1 24 24 GLY C C 24 173.700 173.700 175.087 -1.387 19328 2073 1 8 . 1 1 24 24 GLY CA C 24 43.700 43.700 47.106 -3.406 19328 2074 1 8 . 1 1 25 25 SER N N 25 116.500 116.500 113.529 2.971 19328 2075 1 8 . 1 1 25 25 SER HA H 25 4.180 4.180 4.678 -0.498 19328 2076 1 8 . 1 1 25 25 SER C C 25 176.600 176.600 173.465 3.135 19328 2077 1 8 . 1 1 25 25 SER CA C 25 61.000 61.000 58.241 2.759 19328 2078 1 8 . 1 1 25 25 SER CB C 25 63.700 63.700 62.230 1.470 19328 2079 1 8 . 1 1 26 26 CYS N N 26 122.000 122.000 121.784 0.216 19328 2080 1 8 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.656 -0.256 19328 2081 1 8 . 1 1 26 26 CYS C C 26 176.500 176.500 174.404 2.096 19328 2082 1 8 . 1 1 26 26 CYS CA C 26 60.800 60.800 58.930 1.870 19328 2083 1 8 . 1 1 26 26 CYS CB C 26 29.600 29.600 29.854 -0.254 19328 2084 1 8 . 1 1 27 27 ASN N N 27 117.000 117.000 117.074 -0.074 19328 2085 1 8 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.306 0.514 19328 2086 1 8 . 1 1 27 27 ASN C C 27 174.900 174.900 174.396 0.504 19328 2087 1 8 . 1 1 27 27 ASN CA C 27 54.800 54.800 54.584 0.216 19328 2088 1 8 . 1 1 27 27 ASN CB C 27 39.500 39.500 38.080 1.420 19328 2089 1 8 . 1 1 28 28 GLN N N 28 120.700 120.700 117.557 3.143 19328 2090 1 8 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.321 0.039 19328 2091 1 8 . 1 1 28 28 GLN C C 28 174.600 174.600 175.163 -0.563 19328 2092 1 8 . 1 1 28 28 GLN CA C 28 57.100 57.100 56.145 0.955 19328 2093 1 8 . 1 1 28 28 GLN CB C 28 31.500 31.500 29.593 1.907 19328 2094 1 8 . 1 1 29 29 TRP N N 29 119.600 119.600 121.086 -1.486 19328 2095 1 8 . 1 1 29 29 TRP HA H 29 4.950 4.950 4.785 0.165 19328 2096 1 8 . 1 1 29 29 TRP C C 29 175.400 175.400 175.718 -0.318 19328 2097 1 8 . 1 1 29 29 TRP CA C 29 57.100 57.100 57.158 -0.058 19328 2098 1 8 . 1 1 29 29 TRP CB C 29 30.500 30.500 30.804 -0.304 19328 2099 1 8 . 1 1 30 30 PHE N N 30 119.600 119.600 121.502 -1.902 19328 2100 1 8 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.296 0.534 19328 2101 1 8 . 1 1 30 30 PHE C C 30 176.600 176.600 174.242 2.358 19328 2102 1 8 . 1 1 30 30 PHE CA C 30 56.400 56.400 55.736 0.664 19328 2103 1 8 . 1 1 30 30 PHE CB C 30 43.000 43.000 43.097 -0.097 19328 2104 1 8 . 1 1 31 31 HIS N N 31 123.600 123.600 119.295 4.305 19328 2105 1 8 . 1 1 31 31 HIS HA H 31 4.230 4.230 4.424 -0.194 19328 2106 1 8 . 1 1 31 31 HIS C C 31 177.400 177.400 176.364 1.036 19328 2107 1 8 . 1 1 31 31 HIS CA C 31 57.100 57.100 55.418 1.682 19328 2108 1 8 . 1 1 31 31 HIS CB C 31 29.800 29.800 29.631 0.169 19328 2109 1 8 . 1 1 32 32 GLN N N 32 124.100 124.100 122.060 2.040 19328 2110 1 8 . 1 1 32 32 GLN HA H 32 3.520 3.520 3.850 -0.330 19328 2111 1 8 . 1 1 32 32 GLN C C 32 179.100 179.100 178.082 1.018 19328 2112 1 8 . 1 1 32 32 GLN CA C 32 60.600 60.600 60.134 0.466 19328 2113 1 8 . 1 1 32 32 GLN CB C 32 26.900 26.900 28.644 -1.744 19328 2114 1 8 . 1 1 33 33 VAL N N 33 112.800 112.800 113.825 -1.025 19328 2115 1 8 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.835 0.235 19328 2116 1 8 . 1 1 33 33 VAL C C 33 178.200 178.200 176.729 1.471 19328 2117 1 8 . 1 1 33 33 VAL CA C 33 64.400 64.400 65.320 -0.920 19328 2118 1 8 . 1 1 33 33 VAL CB C 33 31.600 31.600 31.060 0.540 19328 2119 1 8 . 1 1 34 34 CYS N N 34 120.900 120.900 116.501 4.399 19328 2120 1 8 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.491 -0.411 19328 2121 1 8 . 1 1 34 34 CYS C C 34 177.100 177.100 175.499 1.601 19328 2122 1 8 . 1 1 34 34 CYS CA C 34 62.500 62.500 60.864 1.637 19328 2123 1 8 . 1 1 34 34 CYS CB C 34 29.500 29.500 26.208 3.292 19328 2124 1 8 . 1 1 35 35 VAL N N 35 106.500 106.500 112.286 -5.786 19328 2125 1 8 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.191 0.369 19328 2126 1 8 . 1 1 35 35 VAL C C 35 176.200 176.200 176.297 -0.097 19328 2127 1 8 . 1 1 35 35 VAL CA C 35 60.100 60.100 60.326 -0.226 19328 2128 1 8 . 1 1 35 35 VAL CB C 35 31.800 31.800 32.160 -0.360 19328 2129 1 8 . 1 1 36 36 GLY N N 36 109.800 109.800 108.911 0.889 19328 2130 1 8 . 1 1 36 36 GLY C C 36 174.600 174.600 174.323 0.277 19328 2131 1 8 . 1 1 36 36 GLY CA C 36 46.900 46.900 45.879 1.021 19328 2132 1 8 . 1 1 37 37 VAL N N 37 119.000 119.000 119.296 -0.296 19328 2133 1 8 . 1 1 37 37 VAL HA H 37 4.330 4.330 4.177 0.153 19328 2134 1 8 . 1 1 37 37 VAL C C 37 174.000 174.000 175.384 -1.384 19328 2135 1 8 . 1 1 37 37 VAL CA C 37 60.800 60.800 60.749 0.051 19328 2136 1 8 . 1 1 37 37 VAL CB C 37 34.200 34.200 34.990 -0.790 19328 2137 1 8 . 1 1 38 38 SER N N 38 122.000 122.000 122.946 -0.946 19328 2138 1 8 . 1 1 38 38 SER HA H 38 4.900 4.900 4.764 0.136 19328 2139 1 8 . 1 1 38 38 SER C C 38 174.100 174.100 174.388 -0.288 19328 2140 1 8 . 1 1 38 38 SER CA C 38 55.500 55.500 56.700 -1.200 19328 2141 1 8 . 1 1 38 38 SER CB C 38 63.800 63.800 63.574 0.226 19328 2142 1 8 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.557 -0.197 19328 2143 1 8 . 1 1 39 39 PRO C C 39 179.300 179.300 178.523 0.777 19328 2144 1 8 . 1 1 39 39 PRO CA C 39 65.600 65.600 65.349 0.251 19328 2145 1 8 . 1 1 39 39 PRO CB C 39 31.900 31.900 31.982 -0.082 19328 2146 1 8 . 1 1 40 40 GLU N N 40 116.600 116.600 118.417 -1.817 19328 2147 1 8 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.182 -0.022 19328 2148 1 8 . 1 1 40 40 GLU C C 40 178.500 178.500 179.052 -0.552 19328 2149 1 8 . 1 1 40 40 GLU CA C 40 59.100 59.100 58.914 0.186 19328 2150 1 8 . 1 1 40 40 GLU CB C 40 29.200 29.200 29.107 0.093 19328 2151 1 8 . 1 1 41 41 MET N N 41 119.300 119.300 119.620 -0.320 19328 2152 1 8 . 1 1 41 41 MET HA H 41 4.260 4.260 4.144 0.116 19328 2153 1 8 . 1 1 41 41 MET C C 41 178.200 178.200 177.346 0.854 19328 2154 1 8 . 1 1 41 41 MET CA C 41 57.300 57.300 58.486 -1.186 19328 2155 1 8 . 1 1 41 41 MET CB C 41 33.400 33.400 32.485 0.915 19328 2156 1 8 . 1 1 42 42 ALA N N 42 121.900 121.900 119.923 1.977 19328 2157 1 8 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.263 -0.123 19328 2158 1 8 . 1 1 42 42 ALA C C 42 179.100 179.100 178.796 0.304 19328 2159 1 8 . 1 1 42 42 ALA CA C 42 54.400 54.400 54.351 0.049 19328 2160 1 8 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.338 0.262 19328 2161 1 8 . 1 1 43 43 GLU N N 43 115.100 115.100 117.657 -2.557 19328 2162 1 8 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.180 0.150 19328 2163 1 8 . 1 1 43 43 GLU C C 43 177.600 177.600 178.490 -0.890 19328 2164 1 8 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.696 -1.196 19328 2165 1 8 . 1 1 43 43 GLU CB C 43 30.200 30.200 29.947 0.253 19328 2166 1 8 . 1 1 44 44 LYS N N 44 117.600 117.600 117.351 0.249 19328 2167 1 8 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.337 -0.007 19328 2168 1 8 . 1 1 44 44 LYS C C 44 176.200 176.200 176.595 -0.395 19328 2169 1 8 . 1 1 44 44 LYS CA C 44 57.500 57.500 57.021 0.479 19328 2170 1 8 . 1 1 44 44 LYS CB C 44 34.400 34.400 33.239 1.161 19328 2171 1 8 . 1 1 45 45 GLU N N 45 118.200 118.200 118.825 -0.625 19328 2172 1 8 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.601 0.029 19328 2173 1 8 . 1 1 45 45 GLU C C 45 175.400 175.400 174.208 1.192 19328 2174 1 8 . 1 1 45 45 GLU CA C 45 54.900 54.900 54.885 0.015 19328 2175 1 8 . 1 1 45 45 GLU CB C 45 32.020 32.020 32.477 -0.457 19328 2176 1 8 . 1 1 46 46 ASP N N 46 121.600 121.600 119.690 1.910 19328 2177 1 8 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.712 0.068 19328 2178 1 8 . 1 1 46 46 ASP C C 46 175.900 175.900 175.713 0.187 19328 2179 1 8 . 1 1 46 46 ASP CA C 46 54.200 54.200 54.262 -0.062 19328 2180 1 8 . 1 1 46 46 ASP CB C 46 41.000 41.000 41.753 -0.753 19328 2181 1 8 . 1 1 47 47 TYR N N 47 124.600 124.600 125.841 -1.241 19328 2182 1 8 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.416 0.134 19328 2183 1 8 . 1 1 47 47 TYR C C 47 172.200 172.200 173.942 -1.742 19328 2184 1 8 . 1 1 47 47 TYR CA C 47 58.000 58.000 57.875 0.125 19328 2185 1 8 . 1 1 47 47 TYR CB C 47 39.800 39.800 37.433 2.367 19328 2186 1 8 . 1 1 48 48 ILE N N 48 128.000 128.000 126.566 1.434 19328 2187 1 8 . 1 1 48 48 ILE HA H 48 4.470 4.470 3.968 0.502 19328 2188 1 8 . 1 1 48 48 ILE C C 48 174.800 174.800 175.493 -0.693 19328 2189 1 8 . 1 1 48 48 ILE CA C 48 58.600 58.600 60.414 -1.814 19328 2190 1 8 . 1 1 48 48 ILE CB C 48 38.300 38.300 36.698 1.602 19328 2191 1 8 . 1 1 49 49 CYS N N 49 130.100 130.100 124.170 5.930 19328 2192 1 8 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.283 -0.123 19328 2193 1 8 . 1 1 49 49 CYS C C 49 176.400 176.400 176.303 0.097 19328 2194 1 8 . 1 1 49 49 CYS CA C 49 58.500 58.500 56.568 1.932 19328 2195 1 8 . 1 1 49 49 CYS CB C 49 31.800 31.800 29.003 2.797 19328 2196 1 8 . 1 1 50 50 VAL N N 50 116.100 116.100 121.085 -4.985 19328 2197 1 8 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.654 0.146 19328 2198 1 8 . 1 1 50 50 VAL C C 50 177.900 177.900 177.904 -0.004 19328 2199 1 8 . 1 1 50 50 VAL CA C 50 65.300 65.300 66.580 -1.280 19328 2200 1 8 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.700 0.100 19328 2201 1 8 . 1 1 51 51 ARG N N 51 121.800 121.800 118.850 2.950 19328 2202 1 8 . 1 1 51 51 ARG HA H 51 4.240 4.240 3.991 0.249 19328 2203 1 8 . 1 1 51 51 ARG C C 51 178.900 178.900 178.271 0.629 19328 2204 1 8 . 1 1 51 51 ARG CA C 51 59.000 59.000 59.090 -0.090 19328 2205 1 8 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.541 0.759 19328 2206 1 8 . 1 1 52 52 CYS N N 52 123.700 123.700 118.849 4.851 19328 2207 1 8 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.458 -0.438 19328 2208 1 8 . 1 1 52 52 CYS C C 52 176.500 176.500 177.252 -0.752 19328 2209 1 8 . 1 1 52 52 CYS CA C 52 63.400 63.400 62.108 1.292 19328 2210 1 8 . 1 1 52 52 CYS CB C 52 30.100 30.100 26.075 4.025 19328 2211 1 8 . 1 1 53 53 THR N N 53 115.800 115.800 114.750 1.050 19328 2212 1 8 . 1 1 53 53 THR HA H 53 3.860 3.860 3.960 -0.100 19328 2213 1 8 . 1 1 53 53 THR C C 53 174.900 174.900 176.441 -1.541 19328 2214 1 8 . 1 1 53 53 THR CA C 53 65.200 65.200 66.160 -0.960 19328 2215 1 8 . 1 1 53 53 THR CB C 53 69.400 69.400 68.790 0.610 19328 2216 1 8 . 1 1 54 54 VAL N N 54 120.900 120.900 121.059 -0.159 19328 2217 1 8 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.780 0.240 19328 2218 1 8 . 1 1 54 54 VAL C C 54 176.600 176.600 177.325 -0.725 19328 2219 1 8 . 1 1 54 54 VAL CA C 54 63.200 63.200 65.431 -2.231 19328 2220 1 8 . 1 1 54 54 VAL CB C 54 32.400 32.400 31.839 0.561 19328 2221 1 8 . 1 1 55 55 LYS N N 55 123.100 123.100 118.477 4.623 19328 2222 1 8 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.042 0.168 19328 2223 1 8 . 1 1 55 55 LYS C C 55 176.700 176.700 176.414 0.286 19328 2224 1 8 . 1 1 55 55 LYS CA C 55 57.200 57.200 57.762 -0.562 19328 2225 1 8 . 1 1 55 55 LYS CB C 55 33.100 33.100 32.877 0.223 19328 2226 1 8 . 1 1 56 56 ASP N N 56 119.600 119.600 116.731 2.869 19328 2227 1 8 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.305 0.275 19328 2228 1 8 . 1 1 56 56 ASP C C 56 175.600 175.600 174.727 0.873 19328 2229 1 8 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.846 -0.546 19328 2230 1 8 . 1 1 56 56 ASP CB C 56 40.800 40.800 40.259 0.541 19328 2231 1 8 . 1 1 57 57 ALA N N 57 124.700 124.700 117.931 6.769 19328 2232 1 8 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.028 0.512 19328 2233 1 8 . 1 1 57 57 ALA CA C 57 51.100 51.100 52.362 -1.262 19328 2234 1 8 . 1 1 57 57 ALA CB C 57 18.200 18.200 18.054 0.146 19328 2235 1 8 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.269 0.181 19328 2236 1 8 . 1 1 58 58 PRO C C 58 177.100 177.100 177.020 0.080 19328 2237 1 8 . 1 1 58 58 PRO CA C 58 63.500 63.500 63.771 -0.271 19328 2238 1 8 . 1 1 58 58 PRO CB C 58 31.900 31.900 32.320 -0.420 19328 2239 1 8 . 1 1 59 59 SER N N 59 115.500 115.500 114.215 1.285 19328 2240 1 8 . 1 1 59 59 SER HA H 59 4.430 4.430 4.577 -0.147 19328 2241 1 8 . 1 1 59 59 SER C C 59 174.500 174.500 174.690 -0.190 19328 2242 1 8 . 1 1 59 59 SER CA C 59 58.300 58.300 56.238 2.062 19328 2243 1 8 . 1 1 59 59 SER CB C 59 63.700 63.700 62.846 0.854 19328 2244 1 8 . 1 1 60 60 ARG N N 60 123.600 123.600 126.521 -2.921 19328 2245 1 8 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.155 0.235 19328 2246 1 8 . 1 1 60 60 ARG C C 60 175.300 175.300 175.950 -0.650 19328 2247 1 8 . 1 1 60 60 ARG CA C 60 55.900 55.900 57.731 -1.831 19328 2248 1 8 . 1 1 60 60 ARG CB C 60 30.800 30.800 30.677 0.123 19328 2249 1 9 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.663 0.157 19328 2250 1 9 . 1 1 2 2 HIS C C 2 174.000 174.000 174.259 -0.259 19328 2251 1 9 . 1 1 2 2 HIS CA C 2 55.800 55.800 56.617 -0.817 19328 2252 1 9 . 1 1 2 2 HIS CB C 2 30.400 30.400 28.932 1.468 19328 2253 1 9 . 1 1 3 3 MET N N 3 121.100 121.100 123.884 -2.784 19328 2254 1 9 . 1 1 3 3 MET HA H 3 5.220 5.220 4.660 0.560 19328 2255 1 9 . 1 1 3 3 MET C C 3 176.100 176.100 174.696 1.404 19328 2256 1 9 . 1 1 3 3 MET CA C 3 55.800 55.800 54.640 1.160 19328 2257 1 9 . 1 1 3 3 MET CB C 3 34.500 34.500 34.631 -0.131 19328 2258 1 9 . 1 1 4 4 CYS N N 4 129.800 129.800 119.570 10.230 19328 2259 1 9 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.215 1.015 19328 2260 1 9 . 1 1 4 4 CYS CA C 4 57.000 57.000 56.764 0.236 19328 2261 1 9 . 1 1 4 4 CYS CB C 4 30.200 30.200 24.979 5.221 19328 2262 1 9 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.306 0.474 19328 2263 1 9 . 1 1 5 5 PRO C C 5 176.800 176.800 175.803 0.997 19328 2264 1 9 . 1 1 5 5 PRO CA C 5 63.300 63.300 64.389 -1.089 19328 2265 1 9 . 1 1 5 5 PRO CB C 5 30.100 30.100 31.133 -1.033 19328 2266 1 9 . 1 1 6 6 ALA N N 6 125.200 125.200 123.372 1.828 19328 2267 1 9 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.816 -0.336 19328 2268 1 9 . 1 1 6 6 ALA C C 6 176.800 176.800 177.420 -0.620 19328 2269 1 9 . 1 1 6 6 ALA CA C 6 53.300 53.300 50.270 3.030 19328 2270 1 9 . 1 1 6 6 ALA CB C 6 20.200 20.200 21.181 -0.981 19328 2271 1 9 . 1 1 7 7 VAL N N 7 121.500 121.500 118.474 3.026 19328 2272 1 9 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.809 -0.079 19328 2273 1 9 . 1 1 7 7 VAL C C 7 177.600 177.600 177.110 0.490 19328 2274 1 9 . 1 1 7 7 VAL CA C 7 66.300 66.300 65.367 0.934 19328 2275 1 9 . 1 1 7 7 VAL CB C 7 31.300 31.300 32.250 -0.950 19328 2276 1 9 . 1 1 8 8 SER N N 8 113.200 113.200 112.538 0.662 19328 2277 1 9 . 1 1 8 8 SER HA H 8 4.550 4.550 4.420 0.130 19328 2278 1 9 . 1 1 8 8 SER C C 8 172.900 172.900 173.897 -0.997 19328 2279 1 9 . 1 1 8 8 SER CA C 8 56.700 56.700 57.937 -1.237 19328 2280 1 9 . 1 1 8 8 SER CB C 8 63.300 63.300 64.203 -0.903 19328 2281 1 9 . 1 1 9 9 CYS N N 9 126.000 126.000 120.362 5.638 19328 2282 1 9 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.255 1.005 19328 2283 1 9 . 1 1 9 9 CYS C C 9 177.300 177.300 173.740 3.560 19328 2284 1 9 . 1 1 9 9 CYS CA C 9 58.200 58.200 58.210 -0.010 19328 2285 1 9 . 1 1 9 9 CYS CB C 9 29.600 29.600 25.975 3.625 19328 2286 1 9 . 1 1 10 10 LEU N N 10 135.700 135.700 128.769 6.931 19328 2287 1 9 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.225 -0.045 19328 2288 1 9 . 1 1 10 10 LEU C C 10 176.300 176.300 176.403 -0.103 19328 2289 1 9 . 1 1 10 10 LEU CA C 10 55.900 55.900 55.337 0.563 19328 2290 1 9 . 1 1 10 10 LEU CB C 10 41.500 41.500 42.746 -1.246 19328 2291 1 9 . 1 1 11 11 GLN N N 11 120.100 120.100 120.836 -0.736 19328 2292 1 9 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.568 -0.698 19328 2293 1 9 . 1 1 11 11 GLN CA C 11 55.400 55.400 53.852 1.548 19328 2294 1 9 . 1 1 11 11 GLN CB C 11 28.100 28.100 28.608 -0.508 19328 2295 1 9 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.590 -0.360 19328 2296 1 9 . 1 1 12 12 PRO C C 12 176.700 176.700 176.281 0.419 19328 2297 1 9 . 1 1 12 12 PRO CA C 12 62.700 62.700 62.338 0.362 19328 2298 1 9 . 1 1 12 12 PRO CB C 12 31.300 31.300 32.444 -1.144 19328 2299 1 9 . 1 1 13 13 GLU N N 13 120.800 120.800 119.645 1.155 19328 2300 1 9 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.311 0.029 19328 2301 1 9 . 1 1 13 13 GLU C C 13 176.700 176.700 176.618 0.082 19328 2302 1 9 . 1 1 13 13 GLU CA C 13 55.600 55.600 55.960 -0.360 19328 2303 1 9 . 1 1 13 13 GLU CB C 13 32.100 32.100 28.529 3.571 19328 2304 1 9 . 1 1 14 14 GLY N N 14 109.000 109.000 112.361 -3.361 19328 2305 1 9 . 1 1 14 14 GLY C C 14 174.100 174.100 173.402 0.698 19328 2306 1 9 . 1 1 14 14 GLY CA C 14 44.800 44.800 45.519 -0.719 19328 2307 1 9 . 1 1 15 15 ASP N N 15 118.800 118.800 124.137 -5.337 19328 2308 1 9 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.590 0.090 19328 2309 1 9 . 1 1 15 15 ASP C C 15 177.000 177.000 176.995 0.005 19328 2310 1 9 . 1 1 15 15 ASP CA C 15 55.500 55.500 55.000 0.500 19328 2311 1 9 . 1 1 15 15 ASP CB C 15 41.400 41.400 41.678 -0.278 19328 2312 1 9 . 1 1 16 16 GLU N N 16 120.100 120.100 120.525 -0.425 19328 2313 1 9 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.531 0.029 19328 2314 1 9 . 1 1 16 16 GLU C C 16 175.400 175.400 176.422 -1.022 19328 2315 1 9 . 1 1 16 16 GLU CA C 16 55.600 55.600 56.167 -0.567 19328 2316 1 9 . 1 1 16 16 GLU CB C 16 29.200 29.200 30.382 -1.182 19328 2317 1 9 . 1 1 17 17 VAL N N 17 120.100 120.100 121.230 -1.130 19328 2318 1 9 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.096 -0.136 19328 2319 1 9 . 1 1 17 17 VAL C C 17 174.500 174.500 176.085 -1.585 19328 2320 1 9 . 1 1 17 17 VAL CA C 17 61.600 61.600 62.388 -0.788 19328 2321 1 9 . 1 1 17 17 VAL CB C 17 33.200 33.200 32.351 0.849 19328 2322 1 9 . 1 1 18 18 ASP N N 18 122.700 122.700 127.854 -5.154 19328 2323 1 9 . 1 1 18 18 ASP HA H 18 5.130 5.130 4.747 0.383 19328 2324 1 9 . 1 1 18 18 ASP C C 18 176.900 176.900 175.949 0.951 19328 2325 1 9 . 1 1 18 18 ASP CA C 18 54.200 54.200 55.495 -1.295 19328 2326 1 9 . 1 1 18 18 ASP CB C 18 42.500 42.500 41.841 0.659 19328 2327 1 9 . 1 1 19 19 TRP N N 19 124.200 124.200 122.623 1.577 19328 2328 1 9 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.555 0.085 19328 2329 1 9 . 1 1 19 19 TRP C C 19 176.200 176.200 175.443 0.757 19328 2330 1 9 . 1 1 19 19 TRP CA C 19 57.300 57.300 56.203 1.097 19328 2331 1 9 . 1 1 19 19 TRP CB C 19 34.100 34.100 33.481 0.619 19328 2332 1 9 . 1 1 20 20 VAL N N 20 121.500 121.500 119.127 2.373 19328 2333 1 9 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.265 0.535 19328 2334 1 9 . 1 1 20 20 VAL C C 20 170.800 170.800 172.909 -2.109 19328 2335 1 9 . 1 1 20 20 VAL CA C 20 60.600 60.600 60.333 0.267 19328 2336 1 9 . 1 1 20 20 VAL CB C 20 35.300 35.300 36.290 -0.990 19328 2337 1 9 . 1 1 21 21 GLN N N 21 131.300 131.300 127.452 3.848 19328 2338 1 9 . 1 1 21 21 GLN HA H 21 4.480 4.480 3.761 0.719 19328 2339 1 9 . 1 1 21 21 GLN C C 21 175.300 175.300 174.348 0.952 19328 2340 1 9 . 1 1 21 21 GLN CA C 21 53.600 53.600 54.811 -1.211 19328 2341 1 9 . 1 1 21 21 GLN CB C 21 28.300 28.300 28.384 -0.084 19328 2342 1 9 . 1 1 22 22 CYS N N 22 127.400 127.400 129.422 -2.022 19328 2343 1 9 . 1 1 22 22 CYS HA H 22 4.500 4.500 4.422 0.078 19328 2344 1 9 . 1 1 22 22 CYS C C 22 176.100 176.100 174.463 1.637 19328 2345 1 9 . 1 1 22 22 CYS CA C 22 60.600 60.600 58.173 2.427 19328 2346 1 9 . 1 1 22 22 CYS CB C 22 31.300 31.300 25.634 5.666 19328 2347 1 9 . 1 1 23 23 ASP N N 23 129.200 129.200 126.559 2.641 19328 2348 1 9 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.493 0.317 19328 2349 1 9 . 1 1 23 23 ASP C C 23 176.700 176.700 176.759 -0.059 19328 2350 1 9 . 1 1 23 23 ASP CA C 23 55.300 55.300 55.264 0.036 19328 2351 1 9 . 1 1 23 23 ASP CB C 23 41.300 41.300 41.228 0.072 19328 2352 1 9 . 1 1 24 24 GLY N N 24 116.300 116.300 106.660 9.640 19328 2353 1 9 . 1 1 24 24 GLY C C 24 173.700 173.700 175.032 -1.332 19328 2354 1 9 . 1 1 24 24 GLY CA C 24 43.700 43.700 44.764 -1.064 19328 2355 1 9 . 1 1 25 25 SER N N 25 116.500 116.500 115.801 0.699 19328 2356 1 9 . 1 1 25 25 SER HA H 25 4.180 4.180 4.519 -0.339 19328 2357 1 9 . 1 1 25 25 SER C C 25 176.600 176.600 174.098 2.502 19328 2358 1 9 . 1 1 25 25 SER CA C 25 61.000 61.000 57.861 3.139 19328 2359 1 9 . 1 1 25 25 SER CB C 25 63.700 63.700 61.759 1.941 19328 2360 1 9 . 1 1 26 26 CYS N N 26 122.000 122.000 118.407 3.593 19328 2361 1 9 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.586 -0.186 19328 2362 1 9 . 1 1 26 26 CYS C C 26 176.500 176.500 173.945 2.555 19328 2363 1 9 . 1 1 26 26 CYS CA C 26 60.800 60.800 59.632 1.169 19328 2364 1 9 . 1 1 26 26 CYS CB C 26 29.600 29.600 28.489 1.111 19328 2365 1 9 . 1 1 27 27 ASN N N 27 117.000 117.000 117.231 -0.231 19328 2366 1 9 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.498 0.322 19328 2367 1 9 . 1 1 27 27 ASN C C 27 174.900 174.900 174.631 0.269 19328 2368 1 9 . 1 1 27 27 ASN CA C 27 54.800 54.800 54.849 -0.049 19328 2369 1 9 . 1 1 27 27 ASN CB C 27 39.500 39.500 36.567 2.933 19328 2370 1 9 . 1 1 28 28 GLN N N 28 120.700 120.700 118.294 2.406 19328 2371 1 9 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.333 0.027 19328 2372 1 9 . 1 1 28 28 GLN C C 28 174.600 174.600 175.812 -1.212 19328 2373 1 9 . 1 1 28 28 GLN CA C 28 57.100 57.100 55.858 1.242 19328 2374 1 9 . 1 1 28 28 GLN CB C 28 31.500 31.500 29.978 1.522 19328 2375 1 9 . 1 1 29 29 TRP N N 29 119.600 119.600 120.694 -1.094 19328 2376 1 9 . 1 1 29 29 TRP HA H 29 4.950 4.950 5.203 -0.253 19328 2377 1 9 . 1 1 29 29 TRP C C 29 175.400 175.400 176.279 -0.879 19328 2378 1 9 . 1 1 29 29 TRP CA C 29 57.100 57.100 56.900 0.200 19328 2379 1 9 . 1 1 29 29 TRP CB C 29 30.500 30.500 30.656 -0.156 19328 2380 1 9 . 1 1 30 30 PHE N N 30 119.600 119.600 119.608 -0.008 19328 2381 1 9 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.221 0.609 19328 2382 1 9 . 1 1 30 30 PHE C C 30 176.600 176.600 174.073 2.527 19328 2383 1 9 . 1 1 30 30 PHE CA C 30 56.400 56.400 55.195 1.205 19328 2384 1 9 . 1 1 30 30 PHE CB C 30 43.000 43.000 43.175 -0.175 19328 2385 1 9 . 1 1 31 31 HIS N N 31 123.600 123.600 117.734 5.866 19328 2386 1 9 . 1 1 31 31 HIS HA H 31 4.230 4.230 4.293 -0.063 19328 2387 1 9 . 1 1 31 31 HIS C C 31 177.400 177.400 176.252 1.148 19328 2388 1 9 . 1 1 31 31 HIS CA C 31 57.100 57.100 55.696 1.405 19328 2389 1 9 . 1 1 31 31 HIS CB C 31 29.800 29.800 29.943 -0.143 19328 2390 1 9 . 1 1 32 32 GLN N N 32 124.100 124.100 121.387 2.713 19328 2391 1 9 . 1 1 32 32 GLN HA H 32 3.520 3.520 4.053 -0.533 19328 2392 1 9 . 1 1 32 32 GLN C C 32 179.100 179.100 178.166 0.934 19328 2393 1 9 . 1 1 32 32 GLN CA C 32 60.600 60.600 59.456 1.144 19328 2394 1 9 . 1 1 32 32 GLN CB C 32 26.900 26.900 28.956 -2.056 19328 2395 1 9 . 1 1 33 33 VAL N N 33 112.800 112.800 112.573 0.227 19328 2396 1 9 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.786 0.284 19328 2397 1 9 . 1 1 33 33 VAL C C 33 178.200 178.200 176.425 1.775 19328 2398 1 9 . 1 1 33 33 VAL CA C 33 64.400 64.400 64.613 -0.213 19328 2399 1 9 . 1 1 33 33 VAL CB C 33 31.600 31.600 31.567 0.033 19328 2400 1 9 . 1 1 34 34 CYS N N 34 120.900 120.900 117.092 3.808 19328 2401 1 9 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.243 -0.163 19328 2402 1 9 . 1 1 34 34 CYS C C 34 177.100 177.100 176.381 0.719 19328 2403 1 9 . 1 1 34 34 CYS CA C 34 62.500 62.500 61.166 1.335 19328 2404 1 9 . 1 1 34 34 CYS CB C 34 29.500 29.500 26.484 3.016 19328 2405 1 9 . 1 1 35 35 VAL N N 35 106.500 106.500 113.614 -7.114 19328 2406 1 9 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.063 0.497 19328 2407 1 9 . 1 1 35 35 VAL C C 35 176.200 176.200 176.746 -0.546 19328 2408 1 9 . 1 1 35 35 VAL CA C 35 60.100 60.100 62.679 -2.579 19328 2409 1 9 . 1 1 35 35 VAL CB C 35 31.800 31.800 32.152 -0.352 19328 2410 1 9 . 1 1 36 36 GLY N N 36 109.800 109.800 109.130 0.670 19328 2411 1 9 . 1 1 36 36 GLY C C 36 174.600 174.600 174.799 -0.199 19328 2412 1 9 . 1 1 36 36 GLY CA C 36 46.900 46.900 45.772 1.128 19328 2413 1 9 . 1 1 37 37 VAL N N 37 119.000 119.000 120.491 -1.491 19328 2414 1 9 . 1 1 37 37 VAL HA H 37 4.330 4.330 4.027 0.303 19328 2415 1 9 . 1 1 37 37 VAL C C 37 174.000 174.000 175.888 -1.888 19328 2416 1 9 . 1 1 37 37 VAL CA C 37 60.800 60.800 62.484 -1.684 19328 2417 1 9 . 1 1 37 37 VAL CB C 37 34.200 34.200 32.833 1.367 19328 2418 1 9 . 1 1 38 38 SER N N 38 122.000 122.000 123.029 -1.029 19328 2419 1 9 . 1 1 38 38 SER HA H 38 4.900 4.900 4.556 0.344 19328 2420 1 9 . 1 1 38 38 SER C C 38 174.100 174.100 174.361 -0.261 19328 2421 1 9 . 1 1 38 38 SER CA C 38 55.500 55.500 57.350 -1.850 19328 2422 1 9 . 1 1 38 38 SER CB C 38 63.800 63.800 63.281 0.520 19328 2423 1 9 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.255 0.105 19328 2424 1 9 . 1 1 39 39 PRO C C 39 179.300 179.300 179.057 0.243 19328 2425 1 9 . 1 1 39 39 PRO CA C 39 65.600 65.600 66.002 -0.402 19328 2426 1 9 . 1 1 39 39 PRO CB C 39 31.900 31.900 31.970 -0.070 19328 2427 1 9 . 1 1 40 40 GLU N N 40 116.600 116.600 118.338 -1.738 19328 2428 1 9 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.127 0.033 19328 2429 1 9 . 1 1 40 40 GLU C C 40 178.500 178.500 178.798 -0.298 19328 2430 1 9 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.778 -0.678 19328 2431 1 9 . 1 1 40 40 GLU CB C 40 29.200 29.200 29.382 -0.182 19328 2432 1 9 . 1 1 41 41 MET N N 41 119.300 119.300 116.689 2.611 19328 2433 1 9 . 1 1 41 41 MET HA H 41 4.260 4.260 4.202 0.058 19328 2434 1 9 . 1 1 41 41 MET C C 41 178.200 178.200 178.871 -0.671 19328 2435 1 9 . 1 1 41 41 MET CA C 41 57.300 57.300 57.771 -0.471 19328 2436 1 9 . 1 1 41 41 MET CB C 41 33.400 33.400 31.506 1.894 19328 2437 1 9 . 1 1 42 42 ALA N N 42 121.900 121.900 120.986 0.914 19328 2438 1 9 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.281 -0.141 19328 2439 1 9 . 1 1 42 42 ALA C C 42 179.100 179.100 178.583 0.517 19328 2440 1 9 . 1 1 42 42 ALA CA C 42 54.400 54.400 54.789 -0.389 19328 2441 1 9 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.585 0.015 19328 2442 1 9 . 1 1 43 43 GLU N N 43 115.100 115.100 116.307 -1.207 19328 2443 1 9 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.250 0.080 19328 2444 1 9 . 1 1 43 43 GLU C C 43 177.600 177.600 177.887 -0.287 19328 2445 1 9 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.413 -0.913 19328 2446 1 9 . 1 1 43 43 GLU CB C 43 30.200 30.200 30.293 -0.093 19328 2447 1 9 . 1 1 44 44 LYS N N 44 117.600 117.600 116.362 1.238 19328 2448 1 9 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.480 -0.150 19328 2449 1 9 . 1 1 44 44 LYS C C 44 176.200 176.200 176.779 -0.579 19328 2450 1 9 . 1 1 44 44 LYS CA C 44 57.500 57.500 56.906 0.594 19328 2451 1 9 . 1 1 44 44 LYS CB C 44 34.400 34.400 34.366 0.034 19328 2452 1 9 . 1 1 45 45 GLU N N 45 118.200 118.200 118.538 -0.338 19328 2453 1 9 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.397 0.233 19328 2454 1 9 . 1 1 45 45 GLU C C 45 175.400 175.400 175.090 0.310 19328 2455 1 9 . 1 1 45 45 GLU CA C 45 54.900 54.900 55.055 -0.155 19328 2456 1 9 . 1 1 45 45 GLU CB C 45 32.020 32.020 31.075 0.945 19328 2457 1 9 . 1 1 46 46 ASP N N 46 121.600 121.600 121.343 0.257 19328 2458 1 9 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.108 0.672 19328 2459 1 9 . 1 1 46 46 ASP C C 46 175.900 175.900 175.318 0.582 19328 2460 1 9 . 1 1 46 46 ASP CA C 46 54.200 54.200 54.536 -0.336 19328 2461 1 9 . 1 1 46 46 ASP CB C 46 41.000 41.000 41.429 -0.429 19328 2462 1 9 . 1 1 47 47 TYR N N 47 124.600 124.600 115.606 8.994 19328 2463 1 9 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.713 -0.163 19328 2464 1 9 . 1 1 47 47 TYR C C 47 172.200 172.200 174.341 -2.141 19328 2465 1 9 . 1 1 47 47 TYR CA C 47 58.000 58.000 54.370 3.630 19328 2466 1 9 . 1 1 47 47 TYR CB C 47 39.800 39.800 38.272 1.528 19328 2467 1 9 . 1 1 48 48 ILE N N 48 128.000 128.000 124.035 3.965 19328 2468 1 9 . 1 1 48 48 ILE HA H 48 4.470 4.470 4.087 0.383 19328 2469 1 9 . 1 1 48 48 ILE C C 48 174.800 174.800 176.861 -2.061 19328 2470 1 9 . 1 1 48 48 ILE CA C 48 58.600 58.600 61.375 -2.775 19328 2471 1 9 . 1 1 48 48 ILE CB C 48 38.300 38.300 37.416 0.884 19328 2472 1 9 . 1 1 49 49 CYS N N 49 130.100 130.100 125.111 4.989 19328 2473 1 9 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.503 -0.343 19328 2474 1 9 . 1 1 49 49 CYS C C 49 176.400 176.400 176.256 0.144 19328 2475 1 9 . 1 1 49 49 CYS CA C 49 58.500 58.500 56.600 1.900 19328 2476 1 9 . 1 1 49 49 CYS CB C 49 31.800 31.800 28.889 2.911 19328 2477 1 9 . 1 1 50 50 VAL N N 50 116.100 116.100 117.258 -1.158 19328 2478 1 9 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.687 0.113 19328 2479 1 9 . 1 1 50 50 VAL C C 50 177.900 177.900 177.540 0.360 19328 2480 1 9 . 1 1 50 50 VAL CA C 50 65.300 65.300 65.786 -0.486 19328 2481 1 9 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.649 0.151 19328 2482 1 9 . 1 1 51 51 ARG N N 51 121.800 121.800 119.483 2.317 19328 2483 1 9 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.060 0.180 19328 2484 1 9 . 1 1 51 51 ARG C C 51 178.900 178.900 178.198 0.702 19328 2485 1 9 . 1 1 51 51 ARG CA C 51 59.000 59.000 58.718 0.282 19328 2486 1 9 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.428 0.872 19328 2487 1 9 . 1 1 52 52 CYS N N 52 123.700 123.700 118.120 5.580 19328 2488 1 9 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.404 -0.384 19328 2489 1 9 . 1 1 52 52 CYS C C 52 176.500 176.500 177.569 -1.069 19328 2490 1 9 . 1 1 52 52 CYS CA C 52 63.400 63.400 62.380 1.020 19328 2491 1 9 . 1 1 52 52 CYS CB C 52 30.100 30.100 26.353 3.747 19328 2492 1 9 . 1 1 53 53 THR N N 53 115.800 115.800 115.275 0.525 19328 2493 1 9 . 1 1 53 53 THR HA H 53 3.860 3.860 3.949 -0.089 19328 2494 1 9 . 1 1 53 53 THR C C 53 174.900 174.900 176.502 -1.602 19328 2495 1 9 . 1 1 53 53 THR CA C 53 65.200 65.200 66.314 -1.114 19328 2496 1 9 . 1 1 53 53 THR CB C 53 69.400 69.400 68.530 0.870 19328 2497 1 9 . 1 1 54 54 VAL N N 54 120.900 120.900 120.991 -0.091 19328 2498 1 9 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.669 0.351 19328 2499 1 9 . 1 1 54 54 VAL C C 54 176.600 176.600 177.278 -0.678 19328 2500 1 9 . 1 1 54 54 VAL CA C 54 63.200 63.200 65.713 -2.513 19328 2501 1 9 . 1 1 54 54 VAL CB C 54 32.400 32.400 31.645 0.755 19328 2502 1 9 . 1 1 55 55 LYS N N 55 123.100 123.100 120.457 2.643 19328 2503 1 9 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.083 0.127 19328 2504 1 9 . 1 1 55 55 LYS C C 55 176.700 176.700 178.215 -1.515 19328 2505 1 9 . 1 1 55 55 LYS CA C 55 57.200 57.200 58.699 -1.499 19328 2506 1 9 . 1 1 55 55 LYS CB C 55 33.100 33.100 32.081 1.020 19328 2507 1 9 . 1 1 56 56 ASP N N 56 119.600 119.600 118.484 1.116 19328 2508 1 9 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.540 0.040 19328 2509 1 9 . 1 1 56 56 ASP C C 56 175.600 175.600 176.164 -0.564 19328 2510 1 9 . 1 1 56 56 ASP CA C 56 54.300 54.300 56.134 -1.834 19328 2511 1 9 . 1 1 56 56 ASP CB C 56 40.800 40.800 41.460 -0.660 19328 2512 1 9 . 1 1 57 57 ALA N N 57 124.700 124.700 120.924 3.776 19328 2513 1 9 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.716 -0.176 19328 2514 1 9 . 1 1 57 57 ALA CA C 57 51.100 51.100 50.072 1.028 19328 2515 1 9 . 1 1 57 57 ALA CB C 57 18.200 18.200 19.464 -1.264 19328 2516 1 9 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.790 -0.340 19328 2517 1 9 . 1 1 58 58 PRO C C 58 177.100 177.100 177.107 -0.007 19328 2518 1 9 . 1 1 58 58 PRO CA C 58 63.500 63.500 62.565 0.935 19328 2519 1 9 . 1 1 58 58 PRO CB C 58 31.900 31.900 30.606 1.294 19328 2520 1 9 . 1 1 59 59 SER N N 59 115.500 115.500 118.836 -3.336 19328 2521 1 9 . 1 1 59 59 SER HA H 59 4.430 4.430 4.147 0.282 19328 2522 1 9 . 1 1 59 59 SER C C 59 174.500 174.500 174.616 -0.116 19328 2523 1 9 . 1 1 59 59 SER CA C 59 58.300 58.300 60.001 -1.701 19328 2524 1 9 . 1 1 59 59 SER CB C 59 63.700 63.700 63.424 0.276 19328 2525 1 9 . 1 1 60 60 ARG N N 60 123.600 123.600 121.131 2.469 19328 2526 1 9 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.531 -0.141 19328 2527 1 9 . 1 1 60 60 ARG C C 60 175.300 175.300 174.998 0.302 19328 2528 1 9 . 1 1 60 60 ARG CA C 60 55.900 55.900 55.133 0.767 19328 2529 1 9 . 1 1 60 60 ARG CB C 60 30.800 30.800 32.282 -1.482 19328 2530 1 10 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.293 0.527 19328 2531 1 10 . 1 1 2 2 HIS C C 2 174.000 174.000 173.642 0.358 19328 2532 1 10 . 1 1 2 2 HIS CA C 2 55.800 55.800 56.263 -0.463 19328 2533 1 10 . 1 1 2 2 HIS CB C 2 30.400 30.400 30.277 0.123 19328 2534 1 10 . 1 1 3 3 MET N N 3 121.100 121.100 118.877 2.223 19328 2535 1 10 . 1 1 3 3 MET HA H 3 5.220 5.220 4.779 0.441 19328 2536 1 10 . 1 1 3 3 MET C C 3 176.100 176.100 175.984 0.116 19328 2537 1 10 . 1 1 3 3 MET CA C 3 55.800 55.800 54.858 0.942 19328 2538 1 10 . 1 1 3 3 MET CB C 3 34.500 34.500 34.050 0.450 19328 2539 1 10 . 1 1 4 4 CYS N N 4 129.800 129.800 118.513 11.287 19328 2540 1 10 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.968 0.262 19328 2541 1 10 . 1 1 4 4 CYS CA C 4 57.000 57.000 56.555 0.445 19328 2542 1 10 . 1 1 4 4 CYS CB C 4 30.200 30.200 28.144 2.056 19328 2543 1 10 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.395 0.385 19328 2544 1 10 . 1 1 5 5 PRO C C 5 176.800 176.800 175.582 1.218 19328 2545 1 10 . 1 1 5 5 PRO CA C 5 63.300 63.300 63.139 0.161 19328 2546 1 10 . 1 1 5 5 PRO CB C 5 30.100 30.100 29.967 0.133 19328 2547 1 10 . 1 1 6 6 ALA N N 6 125.200 125.200 125.601 -0.401 19328 2548 1 10 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.479 0.001 19328 2549 1 10 . 1 1 6 6 ALA C C 6 176.800 176.800 177.196 -0.396 19328 2550 1 10 . 1 1 6 6 ALA CA C 6 53.300 53.300 51.743 1.556 19328 2551 1 10 . 1 1 6 6 ALA CB C 6 20.200 20.200 18.902 1.298 19328 2552 1 10 . 1 1 7 7 VAL N N 7 121.500 121.500 119.819 1.681 19328 2553 1 10 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.495 0.235 19328 2554 1 10 . 1 1 7 7 VAL C C 7 177.600 177.600 176.386 1.214 19328 2555 1 10 . 1 1 7 7 VAL CA C 7 66.300 66.300 64.896 1.404 19328 2556 1 10 . 1 1 7 7 VAL CB C 7 31.300 31.300 31.214 0.086 19328 2557 1 10 . 1 1 8 8 SER N N 8 113.200 113.200 113.639 -0.439 19328 2558 1 10 . 1 1 8 8 SER HA H 8 4.550 4.550 4.530 0.020 19328 2559 1 10 . 1 1 8 8 SER C C 8 172.900 172.900 172.709 0.191 19328 2560 1 10 . 1 1 8 8 SER CA C 8 56.700 56.700 58.173 -1.473 19328 2561 1 10 . 1 1 8 8 SER CB C 8 63.300 63.300 64.919 -1.619 19328 2562 1 10 . 1 1 9 9 CYS N N 9 126.000 126.000 117.263 8.737 19328 2563 1 10 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.553 0.707 19328 2564 1 10 . 1 1 9 9 CYS C C 9 177.300 177.300 174.420 2.880 19328 2565 1 10 . 1 1 9 9 CYS CA C 9 58.200 58.200 58.552 -0.352 19328 2566 1 10 . 1 1 9 9 CYS CB C 9 29.600 29.600 26.300 3.300 19328 2567 1 10 . 1 1 10 10 LEU N N 10 135.700 135.700 125.998 9.702 19328 2568 1 10 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.158 0.022 19328 2569 1 10 . 1 1 10 10 LEU C C 10 176.300 176.300 177.118 -0.818 19328 2570 1 10 . 1 1 10 10 LEU CA C 10 55.900 55.900 56.353 -0.453 19328 2571 1 10 . 1 1 10 10 LEU CB C 10 41.500 41.500 42.265 -0.765 19328 2572 1 10 . 1 1 11 11 GLN N N 11 120.100 120.100 116.039 4.061 19328 2573 1 10 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.089 -0.219 19328 2574 1 10 . 1 1 11 11 GLN CA C 11 55.400 55.400 55.440 -0.040 19328 2575 1 10 . 1 1 11 11 GLN CB C 11 28.100 28.100 27.014 1.086 19328 2576 1 10 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.639 -0.409 19328 2577 1 10 . 1 1 12 12 PRO C C 12 176.700 176.700 177.107 -0.407 19328 2578 1 10 . 1 1 12 12 PRO CA C 12 62.700 62.700 62.646 0.054 19328 2579 1 10 . 1 1 12 12 PRO CB C 12 31.300 31.300 32.721 -1.421 19328 2580 1 10 . 1 1 13 13 GLU N N 13 120.800 120.800 119.180 1.620 19328 2581 1 10 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.150 0.190 19328 2582 1 10 . 1 1 13 13 GLU C C 13 176.700 176.700 176.695 0.005 19328 2583 1 10 . 1 1 13 13 GLU CA C 13 55.600 55.600 56.458 -0.858 19328 2584 1 10 . 1 1 13 13 GLU CB C 13 32.100 32.100 29.639 2.462 19328 2585 1 10 . 1 1 14 14 GLY N N 14 109.000 109.000 110.464 -1.464 19328 2586 1 10 . 1 1 14 14 GLY C C 14 174.100 174.100 173.896 0.204 19328 2587 1 10 . 1 1 14 14 GLY CA C 14 44.800 44.800 45.043 -0.243 19328 2588 1 10 . 1 1 15 15 ASP N N 15 118.800 118.800 119.452 -0.652 19328 2589 1 10 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.555 0.125 19328 2590 1 10 . 1 1 15 15 ASP C C 15 177.000 177.000 177.391 -0.391 19328 2591 1 10 . 1 1 15 15 ASP CA C 15 55.500 55.500 55.206 0.294 19328 2592 1 10 . 1 1 15 15 ASP CB C 15 41.400 41.400 41.258 0.142 19328 2593 1 10 . 1 1 16 16 GLU N N 16 120.100 120.100 118.178 1.922 19328 2594 1 10 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.546 0.014 19328 2595 1 10 . 1 1 16 16 GLU C C 16 175.400 175.400 175.554 -0.154 19328 2596 1 10 . 1 1 16 16 GLU CA C 16 55.600 55.600 56.138 -0.538 19328 2597 1 10 . 1 1 16 16 GLU CB C 16 29.200 29.200 31.109 -1.909 19328 2598 1 10 . 1 1 17 17 VAL N N 17 120.100 120.100 119.235 0.865 19328 2599 1 10 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.241 -0.281 19328 2600 1 10 . 1 1 17 17 VAL C C 17 174.500 174.500 175.353 -0.853 19328 2601 1 10 . 1 1 17 17 VAL CA C 17 61.600 61.600 62.203 -0.603 19328 2602 1 10 . 1 1 17 17 VAL CB C 17 33.200 33.200 32.339 0.861 19328 2603 1 10 . 1 1 18 18 ASP N N 18 122.700 122.700 128.019 -5.319 19328 2604 1 10 . 1 1 18 18 ASP HA H 18 5.130 5.130 5.013 0.117 19328 2605 1 10 . 1 1 18 18 ASP C C 18 176.900 176.900 175.450 1.450 19328 2606 1 10 . 1 1 18 18 ASP CA C 18 54.200 54.200 53.736 0.465 19328 2607 1 10 . 1 1 18 18 ASP CB C 18 42.500 42.500 43.081 -0.581 19328 2608 1 10 . 1 1 19 19 TRP N N 19 124.200 124.200 123.384 0.816 19328 2609 1 10 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.078 0.562 19328 2610 1 10 . 1 1 19 19 TRP C C 19 176.200 176.200 176.182 0.018 19328 2611 1 10 . 1 1 19 19 TRP CA C 19 57.300 57.300 55.392 1.908 19328 2612 1 10 . 1 1 19 19 TRP CB C 19 34.100 34.100 30.561 3.539 19328 2613 1 10 . 1 1 20 20 VAL N N 20 121.500 121.500 124.284 -2.784 19328 2614 1 10 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.334 0.466 19328 2615 1 10 . 1 1 20 20 VAL C C 20 170.800 170.800 174.241 -3.441 19328 2616 1 10 . 1 1 20 20 VAL CA C 20 60.600 60.600 60.398 0.202 19328 2617 1 10 . 1 1 20 20 VAL CB C 20 35.300 35.300 34.151 1.149 19328 2618 1 10 . 1 1 21 21 GLN N N 21 131.300 131.300 128.283 3.017 19328 2619 1 10 . 1 1 21 21 GLN HA H 21 4.480 4.480 4.205 0.275 19328 2620 1 10 . 1 1 21 21 GLN C C 21 175.300 175.300 174.958 0.342 19328 2621 1 10 . 1 1 21 21 GLN CA C 21 53.600 53.600 55.253 -1.653 19328 2622 1 10 . 1 1 21 21 GLN CB C 21 28.300 28.300 28.705 -0.405 19328 2623 1 10 . 1 1 22 22 CYS N N 22 127.400 127.400 128.993 -1.593 19328 2624 1 10 . 1 1 22 22 CYS HA H 22 4.500 4.500 4.825 -0.325 19328 2625 1 10 . 1 1 22 22 CYS C C 22 176.100 176.100 174.982 1.118 19328 2626 1 10 . 1 1 22 22 CYS CA C 22 60.600 60.600 58.795 1.805 19328 2627 1 10 . 1 1 22 22 CYS CB C 22 31.300 31.300 26.814 4.486 19328 2628 1 10 . 1 1 23 23 ASP N N 23 129.200 129.200 127.863 1.337 19328 2629 1 10 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.431 0.379 19328 2630 1 10 . 1 1 23 23 ASP C C 23 176.700 176.700 177.223 -0.523 19328 2631 1 10 . 1 1 23 23 ASP CA C 23 55.300 55.300 57.610 -2.310 19328 2632 1 10 . 1 1 23 23 ASP CB C 23 41.300 41.300 41.032 0.268 19328 2633 1 10 . 1 1 24 24 GLY N N 24 116.300 116.300 108.589 7.711 19328 2634 1 10 . 1 1 24 24 GLY C C 24 173.700 173.700 175.115 -1.415 19328 2635 1 10 . 1 1 24 24 GLY CA C 24 43.700 43.700 47.094 -3.394 19328 2636 1 10 . 1 1 25 25 SER N N 25 116.500 116.500 116.461 0.039 19328 2637 1 10 . 1 1 25 25 SER HA H 25 4.180 4.180 4.755 -0.575 19328 2638 1 10 . 1 1 25 25 SER C C 25 176.600 176.600 172.986 3.614 19328 2639 1 10 . 1 1 25 25 SER CA C 25 61.000 61.000 58.267 2.733 19328 2640 1 10 . 1 1 25 25 SER CB C 25 63.700 63.700 63.441 0.259 19328 2641 1 10 . 1 1 26 26 CYS N N 26 122.000 122.000 120.105 1.895 19328 2642 1 10 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.677 -0.277 19328 2643 1 10 . 1 1 26 26 CYS C C 26 176.500 176.500 175.315 1.185 19328 2644 1 10 . 1 1 26 26 CYS CA C 26 60.800 60.800 59.888 0.912 19328 2645 1 10 . 1 1 26 26 CYS CB C 26 29.600 29.600 30.434 -0.834 19328 2646 1 10 . 1 1 27 27 ASN N N 27 117.000 117.000 117.711 -0.711 19328 2647 1 10 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.374 0.446 19328 2648 1 10 . 1 1 27 27 ASN C C 27 174.900 174.900 174.198 0.702 19328 2649 1 10 . 1 1 27 27 ASN CA C 27 54.800 54.800 54.827 -0.027 19328 2650 1 10 . 1 1 27 27 ASN CB C 27 39.500 39.500 37.401 2.099 19328 2651 1 10 . 1 1 28 28 GLN N N 28 120.700 120.700 117.627 3.073 19328 2652 1 10 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.345 0.015 19328 2653 1 10 . 1 1 28 28 GLN C C 28 174.600 174.600 174.933 -0.333 19328 2654 1 10 . 1 1 28 28 GLN CA C 28 57.100 57.100 55.065 2.035 19328 2655 1 10 . 1 1 28 28 GLN CB C 28 31.500 31.500 29.509 1.991 19328 2656 1 10 . 1 1 29 29 TRP N N 29 119.600 119.600 122.134 -2.534 19328 2657 1 10 . 1 1 29 29 TRP HA H 29 4.950 4.950 4.721 0.229 19328 2658 1 10 . 1 1 29 29 TRP C C 29 175.400 175.400 175.920 -0.520 19328 2659 1 10 . 1 1 29 29 TRP CA C 29 57.100 57.100 56.609 0.491 19328 2660 1 10 . 1 1 29 29 TRP CB C 29 30.500 30.500 30.137 0.363 19328 2661 1 10 . 1 1 30 30 PHE N N 30 119.600 119.600 123.957 -4.357 19328 2662 1 10 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.330 0.500 19328 2663 1 10 . 1 1 30 30 PHE C C 30 176.600 176.600 174.710 1.890 19328 2664 1 10 . 1 1 30 30 PHE CA C 30 56.400 56.400 55.980 0.420 19328 2665 1 10 . 1 1 30 30 PHE CB C 30 43.000 43.000 41.407 1.593 19328 2666 1 10 . 1 1 31 31 HIS N N 31 123.600 123.600 121.959 1.641 19328 2667 1 10 . 1 1 31 31 HIS HA H 31 4.230 4.230 4.325 -0.095 19328 2668 1 10 . 1 1 31 31 HIS C C 31 177.400 177.400 176.381 1.019 19328 2669 1 10 . 1 1 31 31 HIS CA C 31 57.100 57.100 55.719 1.381 19328 2670 1 10 . 1 1 31 31 HIS CB C 31 29.800 29.800 29.159 0.641 19328 2671 1 10 . 1 1 32 32 GLN N N 32 124.100 124.100 121.959 2.141 19328 2672 1 10 . 1 1 32 32 GLN HA H 32 3.520 3.520 3.980 -0.460 19328 2673 1 10 . 1 1 32 32 GLN C C 32 179.100 179.100 178.175 0.925 19328 2674 1 10 . 1 1 32 32 GLN CA C 32 60.600 60.600 59.468 1.132 19328 2675 1 10 . 1 1 32 32 GLN CB C 32 26.900 26.900 28.737 -1.837 19328 2676 1 10 . 1 1 33 33 VAL N N 33 112.800 112.800 112.601 0.199 19328 2677 1 10 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.927 0.143 19328 2678 1 10 . 1 1 33 33 VAL C C 33 178.200 178.200 176.446 1.754 19328 2679 1 10 . 1 1 33 33 VAL CA C 33 64.400 64.400 64.624 -0.224 19328 2680 1 10 . 1 1 33 33 VAL CB C 33 31.600 31.600 31.363 0.236 19328 2681 1 10 . 1 1 34 34 CYS N N 34 120.900 120.900 117.852 3.048 19328 2682 1 10 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.324 -0.244 19328 2683 1 10 . 1 1 34 34 CYS C C 34 177.100 177.100 176.174 0.926 19328 2684 1 10 . 1 1 34 34 CYS CA C 34 62.500 62.500 60.727 1.773 19328 2685 1 10 . 1 1 34 34 CYS CB C 34 29.500 29.500 27.219 2.281 19328 2686 1 10 . 1 1 35 35 VAL N N 35 106.500 106.500 112.970 -6.470 19328 2687 1 10 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.273 0.287 19328 2688 1 10 . 1 1 35 35 VAL C C 35 176.200 176.200 176.526 -0.326 19328 2689 1 10 . 1 1 35 35 VAL CA C 35 60.100 60.100 61.330 -1.230 19328 2690 1 10 . 1 1 35 35 VAL CB C 35 31.800 31.800 32.550 -0.750 19328 2691 1 10 . 1 1 36 36 GLY N N 36 109.800 109.800 109.498 0.302 19328 2692 1 10 . 1 1 36 36 GLY C C 36 174.600 174.600 174.586 0.014 19328 2693 1 10 . 1 1 36 36 GLY CA C 36 46.900 46.900 46.093 0.807 19328 2694 1 10 . 1 1 37 37 VAL N N 37 119.000 119.000 121.228 -2.228 19328 2695 1 10 . 1 1 37 37 VAL HA H 37 4.330 4.330 3.837 0.493 19328 2696 1 10 . 1 1 37 37 VAL C C 37 174.000 174.000 175.576 -1.576 19328 2697 1 10 . 1 1 37 37 VAL CA C 37 60.800 60.800 63.118 -2.318 19328 2698 1 10 . 1 1 37 37 VAL CB C 37 34.200 34.200 31.543 2.657 19328 2699 1 10 . 1 1 38 38 SER N N 38 122.000 122.000 124.487 -2.487 19328 2700 1 10 . 1 1 38 38 SER HA H 38 4.900 4.900 4.595 0.305 19328 2701 1 10 . 1 1 38 38 SER C C 38 174.100 174.100 174.115 -0.015 19328 2702 1 10 . 1 1 38 38 SER CA C 38 55.500 55.500 57.281 -1.780 19328 2703 1 10 . 1 1 38 38 SER CB C 38 63.800 63.800 63.449 0.351 19328 2704 1 10 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.106 0.254 19328 2705 1 10 . 1 1 39 39 PRO C C 39 179.300 179.300 178.396 0.904 19328 2706 1 10 . 1 1 39 39 PRO CA C 39 65.600 65.600 65.676 -0.076 19328 2707 1 10 . 1 1 39 39 PRO CB C 39 31.900 31.900 31.807 0.093 19328 2708 1 10 . 1 1 40 40 GLU N N 40 116.600 116.600 117.666 -1.066 19328 2709 1 10 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.266 -0.106 19328 2710 1 10 . 1 1 40 40 GLU C C 40 178.500 178.500 178.395 0.105 19328 2711 1 10 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.544 -0.444 19328 2712 1 10 . 1 1 40 40 GLU CB C 40 29.200 29.200 29.437 -0.237 19328 2713 1 10 . 1 1 41 41 MET N N 41 119.300 119.300 117.608 1.692 19328 2714 1 10 . 1 1 41 41 MET HA H 41 4.260 4.260 4.580 -0.320 19328 2715 1 10 . 1 1 41 41 MET C C 41 178.200 178.200 178.700 -0.500 19328 2716 1 10 . 1 1 41 41 MET CA C 41 57.300 57.300 56.540 0.760 19328 2717 1 10 . 1 1 41 41 MET CB C 41 33.400 33.400 31.924 1.476 19328 2718 1 10 . 1 1 42 42 ALA N N 42 121.900 121.900 121.093 0.807 19328 2719 1 10 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.392 -0.252 19328 2720 1 10 . 1 1 42 42 ALA C C 42 179.100 179.100 179.804 -0.704 19328 2721 1 10 . 1 1 42 42 ALA CA C 42 54.400 54.400 55.135 -0.735 19328 2722 1 10 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.393 0.207 19328 2723 1 10 . 1 1 43 43 GLU N N 43 115.100 115.100 117.429 -2.329 19328 2724 1 10 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.205 0.125 19328 2725 1 10 . 1 1 43 43 GLU C C 43 177.600 177.600 178.426 -0.826 19328 2726 1 10 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.189 -0.689 19328 2727 1 10 . 1 1 43 43 GLU CB C 43 30.200 30.200 29.626 0.574 19328 2728 1 10 . 1 1 44 44 LYS N N 44 117.600 117.600 117.718 -0.118 19328 2729 1 10 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.266 0.064 19328 2730 1 10 . 1 1 44 44 LYS C C 44 176.200 176.200 176.185 0.015 19328 2731 1 10 . 1 1 44 44 LYS CA C 44 57.500 57.500 55.964 1.536 19328 2732 1 10 . 1 1 44 44 LYS CB C 44 34.400 34.400 32.425 1.976 19328 2733 1 10 . 1 1 45 45 GLU N N 45 118.200 118.200 113.897 4.303 19328 2734 1 10 . 1 1 45 45 GLU HA H 45 4.630 4.630 3.870 0.760 19328 2735 1 10 . 1 1 45 45 GLU C C 45 175.400 175.400 175.399 0.001 19328 2736 1 10 . 1 1 45 45 GLU CA C 45 54.900 54.900 57.293 -2.393 19328 2737 1 10 . 1 1 45 45 GLU CB C 45 32.020 32.020 27.463 4.556 19328 2738 1 10 . 1 1 46 46 ASP N N 46 121.600 121.600 117.438 4.162 19328 2739 1 10 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.433 0.347 19328 2740 1 10 . 1 1 46 46 ASP C C 46 175.900 175.900 176.552 -0.652 19328 2741 1 10 . 1 1 46 46 ASP CA C 46 54.200 54.200 54.300 -0.100 19328 2742 1 10 . 1 1 46 46 ASP CB C 46 41.000 41.000 40.242 0.758 19328 2743 1 10 . 1 1 47 47 TYR N N 47 124.600 124.600 115.772 8.828 19328 2744 1 10 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.501 0.049 19328 2745 1 10 . 1 1 47 47 TYR C C 47 172.200 172.200 174.791 -2.591 19328 2746 1 10 . 1 1 47 47 TYR CA C 47 58.000 58.000 55.369 2.631 19328 2747 1 10 . 1 1 47 47 TYR CB C 47 39.800 39.800 36.786 3.014 19328 2748 1 10 . 1 1 48 48 ILE N N 48 128.000 128.000 121.579 6.421 19328 2749 1 10 . 1 1 48 48 ILE HA H 48 4.470 4.470 4.036 0.434 19328 2750 1 10 . 1 1 48 48 ILE C C 48 174.800 174.800 176.590 -1.790 19328 2751 1 10 . 1 1 48 48 ILE CA C 48 58.600 58.600 61.366 -2.766 19328 2752 1 10 . 1 1 48 48 ILE CB C 48 38.300 38.300 37.314 0.986 19328 2753 1 10 . 1 1 49 49 CYS N N 49 130.100 130.100 127.115 2.985 19328 2754 1 10 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.352 -0.192 19328 2755 1 10 . 1 1 49 49 CYS C C 49 176.400 176.400 176.968 -0.568 19328 2756 1 10 . 1 1 49 49 CYS CA C 49 58.500 58.500 58.250 0.250 19328 2757 1 10 . 1 1 49 49 CYS CB C 49 31.800 31.800 27.605 4.195 19328 2758 1 10 . 1 1 50 50 VAL N N 50 116.100 116.100 123.917 -7.817 19328 2759 1 10 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.700 0.100 19328 2760 1 10 . 1 1 50 50 VAL C C 50 177.900 177.900 178.129 -0.229 19328 2761 1 10 . 1 1 50 50 VAL CA C 50 65.300 65.300 66.244 -0.944 19328 2762 1 10 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.326 0.474 19328 2763 1 10 . 1 1 51 51 ARG N N 51 121.800 121.800 119.779 2.021 19328 2764 1 10 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.107 0.133 19328 2765 1 10 . 1 1 51 51 ARG C C 51 178.900 178.900 178.689 0.211 19328 2766 1 10 . 1 1 51 51 ARG CA C 51 59.000 59.000 58.711 0.289 19328 2767 1 10 . 1 1 51 51 ARG CB C 51 30.300 30.300 28.937 1.363 19328 2768 1 10 . 1 1 52 52 CYS N N 52 123.700 123.700 117.532 6.168 19328 2769 1 10 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.433 -0.413 19328 2770 1 10 . 1 1 52 52 CYS C C 52 176.500 176.500 177.146 -0.646 19328 2771 1 10 . 1 1 52 52 CYS CA C 52 63.400 63.400 62.176 1.224 19328 2772 1 10 . 1 1 52 52 CYS CB C 52 30.100 30.100 26.258 3.842 19328 2773 1 10 . 1 1 53 53 THR N N 53 115.800 115.800 116.811 -1.011 19328 2774 1 10 . 1 1 53 53 THR HA H 53 3.860 3.860 4.142 -0.282 19328 2775 1 10 . 1 1 53 53 THR C C 53 174.900 174.900 176.162 -1.262 19328 2776 1 10 . 1 1 53 53 THR CA C 53 65.200 65.200 66.752 -1.552 19328 2777 1 10 . 1 1 53 53 THR CB C 53 69.400 69.400 68.307 1.093 19328 2778 1 10 . 1 1 54 54 VAL N N 54 120.900 120.900 122.086 -1.186 19328 2779 1 10 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.800 0.220 19328 2780 1 10 . 1 1 54 54 VAL C C 54 176.600 176.600 177.260 -0.660 19328 2781 1 10 . 1 1 54 54 VAL CA C 54 63.200 63.200 66.514 -3.314 19328 2782 1 10 . 1 1 54 54 VAL CB C 54 32.400 32.400 31.326 1.074 19328 2783 1 10 . 1 1 55 55 LYS N N 55 123.100 123.100 119.196 3.904 19328 2784 1 10 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.103 0.107 19328 2785 1 10 . 1 1 55 55 LYS C C 55 176.700 176.700 178.176 -1.476 19328 2786 1 10 . 1 1 55 55 LYS CA C 55 57.200 57.200 58.657 -1.457 19328 2787 1 10 . 1 1 55 55 LYS CB C 55 33.100 33.100 32.169 0.931 19328 2788 1 10 . 1 1 56 56 ASP N N 56 119.600 119.600 118.213 1.387 19328 2789 1 10 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.475 0.105 19328 2790 1 10 . 1 1 56 56 ASP C C 56 175.600 175.600 176.176 -0.576 19328 2791 1 10 . 1 1 56 56 ASP CA C 56 54.300 54.300 56.219 -1.919 19328 2792 1 10 . 1 1 56 56 ASP CB C 56 40.800 40.800 41.468 -0.668 19328 2793 1 10 . 1 1 57 57 ALA N N 57 124.700 124.700 120.349 4.351 19328 2794 1 10 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.825 -0.285 19328 2795 1 10 . 1 1 57 57 ALA CA C 57 51.100 51.100 49.938 1.162 19328 2796 1 10 . 1 1 57 57 ALA CB C 57 18.200 18.200 19.545 -1.345 19328 2797 1 10 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.468 -0.018 19328 2798 1 10 . 1 1 58 58 PRO C C 58 177.100 177.100 176.628 0.472 19328 2799 1 10 . 1 1 58 58 PRO CA C 58 63.500 63.500 64.043 -0.543 19328 2800 1 10 . 1 1 58 58 PRO CB C 58 31.900 31.900 32.337 -0.437 19328 2801 1 10 . 1 1 59 59 SER N N 59 115.500 115.500 111.664 3.836 19328 2802 1 10 . 1 1 59 59 SER HA H 59 4.430 4.430 4.489 -0.059 19328 2803 1 10 . 1 1 59 59 SER C C 59 174.500 174.500 173.271 1.229 19328 2804 1 10 . 1 1 59 59 SER CA C 59 58.300 58.300 57.572 0.728 19328 2805 1 10 . 1 1 59 59 SER CB C 59 63.700 63.700 65.109 -1.409 19328 2806 1 10 . 1 1 60 60 ARG N N 60 123.600 123.600 122.451 1.149 19328 2807 1 10 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.607 -0.217 19328 2808 1 10 . 1 1 60 60 ARG C C 60 175.300 175.300 174.816 0.484 19328 2809 1 10 . 1 1 60 60 ARG CA C 60 55.900 55.900 56.655 -0.755 19328 2810 1 10 . 1 1 60 60 ARG CB C 60 30.800 30.800 30.693 0.107 19328 2811 1 11 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.837 -0.017 19328 2812 1 11 . 1 1 2 2 HIS C C 2 174.000 174.000 175.787 -1.787 19328 2813 1 11 . 1 1 2 2 HIS CA C 2 55.800 55.800 55.684 0.117 19328 2814 1 11 . 1 1 2 2 HIS CB C 2 30.400 30.400 30.559 -0.159 19328 2815 1 11 . 1 1 3 3 MET N N 3 121.100 121.100 120.065 1.035 19328 2816 1 11 . 1 1 3 3 MET HA H 3 5.220 5.220 4.691 0.529 19328 2817 1 11 . 1 1 3 3 MET C C 3 176.100 176.100 175.682 0.418 19328 2818 1 11 . 1 1 3 3 MET CA C 3 55.800 55.800 55.682 0.118 19328 2819 1 11 . 1 1 3 3 MET CB C 3 34.500 34.500 31.407 3.093 19328 2820 1 11 . 1 1 4 4 CYS N N 4 129.800 129.800 124.140 5.660 19328 2821 1 11 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.760 0.470 19328 2822 1 11 . 1 1 4 4 CYS CA C 4 57.000 57.000 56.987 0.013 19328 2823 1 11 . 1 1 4 4 CYS CB C 4 30.200 30.200 28.681 1.519 19328 2824 1 11 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.297 0.483 19328 2825 1 11 . 1 1 5 5 PRO C C 5 176.800 176.800 177.519 -0.719 19328 2826 1 11 . 1 1 5 5 PRO CA C 5 63.300 63.300 64.425 -1.125 19328 2827 1 11 . 1 1 5 5 PRO CB C 5 30.100 30.100 32.418 -2.318 19328 2828 1 11 . 1 1 6 6 ALA N N 6 125.200 125.200 121.409 3.791 19328 2829 1 11 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.272 0.208 19328 2830 1 11 . 1 1 6 6 ALA C C 6 176.800 176.800 177.761 -0.961 19328 2831 1 11 . 1 1 6 6 ALA CA C 6 53.300 53.300 54.441 -1.141 19328 2832 1 11 . 1 1 6 6 ALA CB C 6 20.200 20.200 17.540 2.660 19328 2833 1 11 . 1 1 7 7 VAL N N 7 121.500 121.500 117.437 4.063 19328 2834 1 11 . 1 1 7 7 VAL HA H 7 3.730 3.730 4.243 -0.513 19328 2835 1 11 . 1 1 7 7 VAL C C 7 177.600 177.600 176.227 1.373 19328 2836 1 11 . 1 1 7 7 VAL CA C 7 66.300 66.300 62.091 4.209 19328 2837 1 11 . 1 1 7 7 VAL CB C 7 31.300 31.300 33.469 -2.169 19328 2838 1 11 . 1 1 8 8 SER N N 8 113.200 113.200 115.859 -2.659 19328 2839 1 11 . 1 1 8 8 SER HA H 8 4.550 4.550 4.653 -0.103 19328 2840 1 11 . 1 1 8 8 SER C C 8 172.900 172.900 172.940 -0.040 19328 2841 1 11 . 1 1 8 8 SER CA C 8 56.700 56.700 57.598 -0.898 19328 2842 1 11 . 1 1 8 8 SER CB C 8 63.300 63.300 64.021 -0.721 19328 2843 1 11 . 1 1 9 9 CYS N N 9 126.000 126.000 128.952 -2.952 19328 2844 1 11 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.636 0.624 19328 2845 1 11 . 1 1 9 9 CYS C C 9 177.300 177.300 175.089 2.211 19328 2846 1 11 . 1 1 9 9 CYS CA C 9 58.200 58.200 57.657 0.543 19328 2847 1 11 . 1 1 9 9 CYS CB C 9 29.600 29.600 25.796 3.804 19328 2848 1 11 . 1 1 10 10 LEU N N 10 135.700 135.700 129.942 5.758 19328 2849 1 11 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.317 -0.137 19328 2850 1 11 . 1 1 10 10 LEU C C 10 176.300 176.300 176.008 0.292 19328 2851 1 11 . 1 1 10 10 LEU CA C 10 55.900 55.900 54.847 1.053 19328 2852 1 11 . 1 1 10 10 LEU CB C 10 41.500 41.500 41.754 -0.254 19328 2853 1 11 . 1 1 11 11 GLN N N 11 120.100 120.100 123.373 -3.273 19328 2854 1 11 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.544 -0.674 19328 2855 1 11 . 1 1 11 11 GLN CA C 11 55.400 55.400 52.967 2.433 19328 2856 1 11 . 1 1 11 11 GLN CB C 11 28.100 28.100 28.256 -0.156 19328 2857 1 11 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.446 -0.216 19328 2858 1 11 . 1 1 12 12 PRO C C 12 176.700 176.700 176.586 0.114 19328 2859 1 11 . 1 1 12 12 PRO CA C 12 62.700 62.700 62.233 0.467 19328 2860 1 11 . 1 1 12 12 PRO CB C 12 31.300 31.300 32.467 -1.167 19328 2861 1 11 . 1 1 13 13 GLU N N 13 120.800 120.800 119.315 1.485 19328 2862 1 11 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.323 0.017 19328 2863 1 11 . 1 1 13 13 GLU C C 13 176.700 176.700 176.953 -0.253 19328 2864 1 11 . 1 1 13 13 GLU CA C 13 55.600 55.600 56.239 -0.639 19328 2865 1 11 . 1 1 13 13 GLU CB C 13 32.100 32.100 28.768 3.332 19328 2866 1 11 . 1 1 14 14 GLY N N 14 109.000 109.000 114.388 -5.388 19328 2867 1 11 . 1 1 14 14 GLY C C 14 174.100 174.100 173.949 0.151 19328 2868 1 11 . 1 1 14 14 GLY CA C 14 44.800 44.800 45.069 -0.269 19328 2869 1 11 . 1 1 15 15 ASP N N 15 118.800 118.800 124.176 -5.376 19328 2870 1 11 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.573 0.107 19328 2871 1 11 . 1 1 15 15 ASP C C 15 177.000 177.000 177.087 -0.087 19328 2872 1 11 . 1 1 15 15 ASP CA C 15 55.500 55.500 55.615 -0.115 19328 2873 1 11 . 1 1 15 15 ASP CB C 15 41.400 41.400 41.771 -0.371 19328 2874 1 11 . 1 1 16 16 GLU N N 16 120.100 120.100 117.874 2.226 19328 2875 1 11 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.390 0.170 19328 2876 1 11 . 1 1 16 16 GLU C C 16 175.400 175.400 175.659 -0.259 19328 2877 1 11 . 1 1 16 16 GLU CA C 16 55.600 55.600 55.988 -0.388 19328 2878 1 11 . 1 1 16 16 GLU CB C 16 29.200 29.200 29.280 -0.080 19328 2879 1 11 . 1 1 17 17 VAL N N 17 120.100 120.100 122.022 -1.922 19328 2880 1 11 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.122 -0.162 19328 2881 1 11 . 1 1 17 17 VAL C C 17 174.500 174.500 176.203 -1.703 19328 2882 1 11 . 1 1 17 17 VAL CA C 17 61.600 61.600 62.741 -1.141 19328 2883 1 11 . 1 1 17 17 VAL CB C 17 33.200 33.200 32.148 1.052 19328 2884 1 11 . 1 1 18 18 ASP N N 18 122.700 122.700 127.729 -5.029 19328 2885 1 11 . 1 1 18 18 ASP HA H 18 5.130 5.130 4.719 0.411 19328 2886 1 11 . 1 1 18 18 ASP C C 18 176.900 176.900 175.776 1.124 19328 2887 1 11 . 1 1 18 18 ASP CA C 18 54.200 54.200 54.325 -0.125 19328 2888 1 11 . 1 1 18 18 ASP CB C 18 42.500 42.500 42.425 0.075 19328 2889 1 11 . 1 1 19 19 TRP N N 19 124.200 124.200 122.872 1.328 19328 2890 1 11 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.475 0.165 19328 2891 1 11 . 1 1 19 19 TRP C C 19 176.200 176.200 175.910 0.290 19328 2892 1 11 . 1 1 19 19 TRP CA C 19 57.300 57.300 54.937 2.363 19328 2893 1 11 . 1 1 19 19 TRP CB C 19 34.100 34.100 32.696 1.404 19328 2894 1 11 . 1 1 20 20 VAL N N 20 121.500 121.500 119.485 2.015 19328 2895 1 11 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.477 0.323 19328 2896 1 11 . 1 1 20 20 VAL C C 20 170.800 170.800 173.829 -3.029 19328 2897 1 11 . 1 1 20 20 VAL CA C 20 60.600 60.600 60.319 0.281 19328 2898 1 11 . 1 1 20 20 VAL CB C 20 35.300 35.300 35.162 0.138 19328 2899 1 11 . 1 1 21 21 GLN N N 21 131.300 131.300 126.951 4.349 19328 2900 1 11 . 1 1 21 21 GLN HA H 21 4.480 4.480 3.655 0.825 19328 2901 1 11 . 1 1 21 21 GLN C C 21 175.300 175.300 174.657 0.643 19328 2902 1 11 . 1 1 21 21 GLN CA C 21 53.600 53.600 55.522 -1.922 19328 2903 1 11 . 1 1 21 21 GLN CB C 21 28.300 28.300 28.967 -0.667 19328 2904 1 11 . 1 1 22 22 CYS N N 22 127.400 127.400 126.556 0.844 19328 2905 1 11 . 1 1 22 22 CYS HA H 22 4.500 4.500 4.931 -0.431 19328 2906 1 11 . 1 1 22 22 CYS C C 22 176.100 176.100 175.735 0.365 19328 2907 1 11 . 1 1 22 22 CYS CA C 22 60.600 60.600 58.114 2.486 19328 2908 1 11 . 1 1 22 22 CYS CB C 22 31.300 31.300 27.610 3.690 19328 2909 1 11 . 1 1 23 23 ASP N N 23 129.200 129.200 130.378 -1.178 19328 2910 1 11 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.514 0.296 19328 2911 1 11 . 1 1 23 23 ASP C C 23 176.700 176.700 175.176 1.524 19328 2912 1 11 . 1 1 23 23 ASP CA C 23 55.300 55.300 54.407 0.893 19328 2913 1 11 . 1 1 23 23 ASP CB C 23 41.300 41.300 40.139 1.161 19328 2914 1 11 . 1 1 24 24 GLY N N 24 116.300 116.300 109.493 6.807 19328 2915 1 11 . 1 1 24 24 GLY C C 24 173.700 173.700 172.920 0.780 19328 2916 1 11 . 1 1 24 24 GLY CA C 24 43.700 43.700 44.740 -1.040 19328 2917 1 11 . 1 1 25 25 SER N N 25 116.500 116.500 118.004 -1.504 19328 2918 1 11 . 1 1 25 25 SER HA H 25 4.180 4.180 4.569 -0.389 19328 2919 1 11 . 1 1 25 25 SER C C 25 176.600 176.600 174.265 2.335 19328 2920 1 11 . 1 1 25 25 SER CA C 25 61.000 61.000 58.859 2.141 19328 2921 1 11 . 1 1 25 25 SER CB C 25 63.700 63.700 61.944 1.756 19328 2922 1 11 . 1 1 26 26 CYS N N 26 122.000 122.000 120.181 1.819 19328 2923 1 11 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.581 -0.181 19328 2924 1 11 . 1 1 26 26 CYS C C 26 176.500 176.500 174.227 2.273 19328 2925 1 11 . 1 1 26 26 CYS CA C 26 60.800 60.800 59.208 1.592 19328 2926 1 11 . 1 1 26 26 CYS CB C 26 29.600 29.600 28.347 1.253 19328 2927 1 11 . 1 1 27 27 ASN N N 27 117.000 117.000 118.514 -1.514 19328 2928 1 11 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.463 0.357 19328 2929 1 11 . 1 1 27 27 ASN C C 27 174.900 174.900 174.357 0.543 19328 2930 1 11 . 1 1 27 27 ASN CA C 27 54.800 54.800 54.422 0.378 19328 2931 1 11 . 1 1 27 27 ASN CB C 27 39.500 39.500 36.525 2.975 19328 2932 1 11 . 1 1 28 28 GLN N N 28 120.700 120.700 116.638 4.062 19328 2933 1 11 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.295 0.065 19328 2934 1 11 . 1 1 28 28 GLN C C 28 174.600 174.600 175.729 -1.129 19328 2935 1 11 . 1 1 28 28 GLN CA C 28 57.100 57.100 55.910 1.190 19328 2936 1 11 . 1 1 28 28 GLN CB C 28 31.500 31.500 29.125 2.375 19328 2937 1 11 . 1 1 29 29 TRP N N 29 119.600 119.600 122.747 -3.147 19328 2938 1 11 . 1 1 29 29 TRP HA H 29 4.950 4.950 4.571 0.379 19328 2939 1 11 . 1 1 29 29 TRP C C 29 175.400 175.400 175.859 -0.459 19328 2940 1 11 . 1 1 29 29 TRP CA C 29 57.100 57.100 57.001 0.099 19328 2941 1 11 . 1 1 29 29 TRP CB C 29 30.500 30.500 30.932 -0.432 19328 2942 1 11 . 1 1 30 30 PHE N N 30 119.600 119.600 117.958 1.642 19328 2943 1 11 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.275 0.555 19328 2944 1 11 . 1 1 30 30 PHE C C 30 176.600 176.600 174.850 1.750 19328 2945 1 11 . 1 1 30 30 PHE CA C 30 56.400 56.400 55.825 0.575 19328 2946 1 11 . 1 1 30 30 PHE CB C 30 43.000 43.000 42.178 0.822 19328 2947 1 11 . 1 1 31 31 HIS N N 31 123.600 123.600 120.505 3.095 19328 2948 1 11 . 1 1 31 31 HIS HA H 31 4.230 4.230 4.748 -0.518 19328 2949 1 11 . 1 1 31 31 HIS C C 31 177.400 177.400 176.618 0.782 19328 2950 1 11 . 1 1 31 31 HIS CA C 31 57.100 57.100 55.771 1.329 19328 2951 1 11 . 1 1 31 31 HIS CB C 31 29.800 29.800 29.478 0.322 19328 2952 1 11 . 1 1 32 32 GLN N N 32 124.100 124.100 122.282 1.818 19328 2953 1 11 . 1 1 32 32 GLN HA H 32 3.520 3.520 3.898 -0.378 19328 2954 1 11 . 1 1 32 32 GLN C C 32 179.100 179.100 178.289 0.811 19328 2955 1 11 . 1 1 32 32 GLN CA C 32 60.600 60.600 59.817 0.783 19328 2956 1 11 . 1 1 32 32 GLN CB C 32 26.900 26.900 28.740 -1.840 19328 2957 1 11 . 1 1 33 33 VAL N N 33 112.800 112.800 113.702 -0.902 19328 2958 1 11 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.932 0.138 19328 2959 1 11 . 1 1 33 33 VAL C C 33 178.200 178.200 176.754 1.446 19328 2960 1 11 . 1 1 33 33 VAL CA C 33 64.400 64.400 64.607 -0.207 19328 2961 1 11 . 1 1 33 33 VAL CB C 33 31.600 31.600 31.129 0.471 19328 2962 1 11 . 1 1 34 34 CYS N N 34 120.900 120.900 116.648 4.252 19328 2963 1 11 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.369 -0.289 19328 2964 1 11 . 1 1 34 34 CYS C C 34 177.100 177.100 175.645 1.455 19328 2965 1 11 . 1 1 34 34 CYS CA C 34 62.500 62.500 61.086 1.414 19328 2966 1 11 . 1 1 34 34 CYS CB C 34 29.500 29.500 26.605 2.895 19328 2967 1 11 . 1 1 35 35 VAL N N 35 106.500 106.500 112.294 -5.794 19328 2968 1 11 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.058 0.502 19328 2969 1 11 . 1 1 35 35 VAL C C 35 176.200 176.200 176.452 -0.252 19328 2970 1 11 . 1 1 35 35 VAL CA C 35 60.100 60.100 61.164 -1.064 19328 2971 1 11 . 1 1 35 35 VAL CB C 35 31.800 31.800 32.162 -0.362 19328 2972 1 11 . 1 1 36 36 GLY N N 36 109.800 109.800 109.632 0.168 19328 2973 1 11 . 1 1 36 36 GLY C C 36 174.600 174.600 174.367 0.233 19328 2974 1 11 . 1 1 36 36 GLY CA C 36 46.900 46.900 45.956 0.944 19328 2975 1 11 . 1 1 37 37 VAL N N 37 119.000 119.000 119.465 -0.465 19328 2976 1 11 . 1 1 37 37 VAL HA H 37 4.330 4.330 4.241 0.089 19328 2977 1 11 . 1 1 37 37 VAL C C 37 174.000 174.000 175.753 -1.753 19328 2978 1 11 . 1 1 37 37 VAL CA C 37 60.800 60.800 60.402 0.398 19328 2979 1 11 . 1 1 37 37 VAL CB C 37 34.200 34.200 33.058 1.142 19328 2980 1 11 . 1 1 38 38 SER N N 38 122.000 122.000 122.743 -0.743 19328 2981 1 11 . 1 1 38 38 SER HA H 38 4.900 4.900 4.606 0.294 19328 2982 1 11 . 1 1 38 38 SER C C 38 174.100 174.100 173.906 0.194 19328 2983 1 11 . 1 1 38 38 SER CA C 38 55.500 55.500 57.105 -1.605 19328 2984 1 11 . 1 1 38 38 SER CB C 38 63.800 63.800 62.859 0.941 19328 2985 1 11 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.185 0.175 19328 2986 1 11 . 1 1 39 39 PRO C C 39 179.300 179.300 178.523 0.777 19328 2987 1 11 . 1 1 39 39 PRO CA C 39 65.600 65.600 66.127 -0.527 19328 2988 1 11 . 1 1 39 39 PRO CB C 39 31.900 31.900 32.012 -0.112 19328 2989 1 11 . 1 1 40 40 GLU N N 40 116.600 116.600 117.320 -0.720 19328 2990 1 11 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.109 0.051 19328 2991 1 11 . 1 1 40 40 GLU C C 40 178.500 178.500 178.982 -0.482 19328 2992 1 11 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.477 -0.377 19328 2993 1 11 . 1 1 40 40 GLU CB C 40 29.200 29.200 28.901 0.299 19328 2994 1 11 . 1 1 41 41 MET N N 41 119.300 119.300 118.168 1.132 19328 2995 1 11 . 1 1 41 41 MET HA H 41 4.260 4.260 4.235 0.025 19328 2996 1 11 . 1 1 41 41 MET C C 41 178.200 178.200 178.454 -0.254 19328 2997 1 11 . 1 1 41 41 MET CA C 41 57.300 57.300 58.799 -1.499 19328 2998 1 11 . 1 1 41 41 MET CB C 41 33.400 33.400 32.420 0.980 19328 2999 1 11 . 1 1 42 42 ALA N N 42 121.900 121.900 122.474 -0.574 19328 3000 1 11 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.373 -0.233 19328 3001 1 11 . 1 1 42 42 ALA C C 42 179.100 179.100 178.725 0.375 19328 3002 1 11 . 1 1 42 42 ALA CA C 42 54.400 54.400 54.553 -0.153 19328 3003 1 11 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.590 0.010 19328 3004 1 11 . 1 1 43 43 GLU N N 43 115.100 115.100 117.388 -2.288 19328 3005 1 11 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.112 0.218 19328 3006 1 11 . 1 1 43 43 GLU C C 43 177.600 177.600 178.063 -0.463 19328 3007 1 11 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.475 -0.975 19328 3008 1 11 . 1 1 43 43 GLU CB C 43 30.200 30.200 29.744 0.456 19328 3009 1 11 . 1 1 44 44 LYS N N 44 117.600 117.600 118.606 -1.006 19328 3010 1 11 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.172 0.158 19328 3011 1 11 . 1 1 44 44 LYS C C 44 176.200 176.200 177.642 -1.442 19328 3012 1 11 . 1 1 44 44 LYS CA C 44 57.500 57.500 58.150 -0.650 19328 3013 1 11 . 1 1 44 44 LYS CB C 44 34.400 34.400 33.456 0.944 19328 3014 1 11 . 1 1 45 45 GLU N N 45 118.200 118.200 120.640 -2.440 19328 3015 1 11 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.476 0.154 19328 3016 1 11 . 1 1 45 45 GLU C C 45 175.400 175.400 175.086 0.314 19328 3017 1 11 . 1 1 45 45 GLU CA C 45 54.900 54.900 55.169 -0.268 19328 3018 1 11 . 1 1 45 45 GLU CB C 45 32.020 32.020 30.215 1.805 19328 3019 1 11 . 1 1 46 46 ASP N N 46 121.600 121.600 125.660 -4.060 19328 3020 1 11 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.436 0.344 19328 3021 1 11 . 1 1 46 46 ASP C C 46 175.900 175.900 175.791 0.109 19328 3022 1 11 . 1 1 46 46 ASP CA C 46 54.200 54.200 55.262 -1.062 19328 3023 1 11 . 1 1 46 46 ASP CB C 46 41.000 41.000 41.003 -0.003 19328 3024 1 11 . 1 1 47 47 TYR N N 47 124.600 124.600 125.241 -0.641 19328 3025 1 11 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.321 0.229 19328 3026 1 11 . 1 1 47 47 TYR C C 47 172.200 172.200 174.373 -2.173 19328 3027 1 11 . 1 1 47 47 TYR CA C 47 58.000 58.000 58.647 -0.647 19328 3028 1 11 . 1 1 47 47 TYR CB C 47 39.800 39.800 38.605 1.195 19328 3029 1 11 . 1 1 48 48 ILE N N 48 128.000 128.000 127.869 0.131 19328 3030 1 11 . 1 1 48 48 ILE HA H 48 4.470 4.470 4.041 0.429 19328 3031 1 11 . 1 1 48 48 ILE C C 48 174.800 174.800 175.418 -0.618 19328 3032 1 11 . 1 1 48 48 ILE CA C 48 58.600 58.600 60.005 -1.405 19328 3033 1 11 . 1 1 48 48 ILE CB C 48 38.300 38.300 37.294 1.006 19328 3034 1 11 . 1 1 49 49 CYS N N 49 130.100 130.100 125.435 4.665 19328 3035 1 11 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.179 -0.019 19328 3036 1 11 . 1 1 49 49 CYS C C 49 176.400 176.400 176.557 -0.157 19328 3037 1 11 . 1 1 49 49 CYS CA C 49 58.500 58.500 57.279 1.221 19328 3038 1 11 . 1 1 49 49 CYS CB C 49 31.800 31.800 29.020 2.780 19328 3039 1 11 . 1 1 50 50 VAL N N 50 116.100 116.100 123.369 -7.269 19328 3040 1 11 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.616 0.184 19328 3041 1 11 . 1 1 50 50 VAL C C 50 177.900 177.900 177.832 0.068 19328 3042 1 11 . 1 1 50 50 VAL CA C 50 65.300 65.300 66.988 -1.688 19328 3043 1 11 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.539 0.261 19328 3044 1 11 . 1 1 51 51 ARG N N 51 121.800 121.800 118.639 3.161 19328 3045 1 11 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.082 0.158 19328 3046 1 11 . 1 1 51 51 ARG C C 51 178.900 178.900 178.556 0.344 19328 3047 1 11 . 1 1 51 51 ARG CA C 51 59.000 59.000 58.741 0.259 19328 3048 1 11 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.197 1.103 19328 3049 1 11 . 1 1 52 52 CYS N N 52 123.700 123.700 118.321 5.379 19328 3050 1 11 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.339 -0.319 19328 3051 1 11 . 1 1 52 52 CYS C C 52 176.500 176.500 176.783 -0.283 19328 3052 1 11 . 1 1 52 52 CYS CA C 52 63.400 63.400 62.289 1.111 19328 3053 1 11 . 1 1 52 52 CYS CB C 52 30.100 30.100 26.244 3.856 19328 3054 1 11 . 1 1 53 53 THR N N 53 115.800 115.800 116.719 -0.919 19328 3055 1 11 . 1 1 53 53 THR HA H 53 3.860 3.860 3.960 -0.100 19328 3056 1 11 . 1 1 53 53 THR C C 53 174.900 174.900 176.219 -1.319 19328 3057 1 11 . 1 1 53 53 THR CA C 53 65.200 65.200 66.683 -1.483 19328 3058 1 11 . 1 1 53 53 THR CB C 53 69.400 69.400 68.260 1.140 19328 3059 1 11 . 1 1 54 54 VAL N N 54 120.900 120.900 119.887 1.013 19328 3060 1 11 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.810 0.210 19328 3061 1 11 . 1 1 54 54 VAL C C 54 176.600 176.600 177.639 -1.039 19328 3062 1 11 . 1 1 54 54 VAL CA C 54 63.200 63.200 65.841 -2.641 19328 3063 1 11 . 1 1 54 54 VAL CB C 54 32.400 32.400 31.398 1.002 19328 3064 1 11 . 1 1 55 55 LYS N N 55 123.100 123.100 119.069 4.031 19328 3065 1 11 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.059 0.151 19328 3066 1 11 . 1 1 55 55 LYS C C 55 176.700 176.700 177.708 -1.008 19328 3067 1 11 . 1 1 55 55 LYS CA C 55 57.200 57.200 58.156 -0.956 19328 3068 1 11 . 1 1 55 55 LYS CB C 55 33.100 33.100 32.103 0.997 19328 3069 1 11 . 1 1 56 56 ASP N N 56 119.600 119.600 119.621 -0.021 19328 3070 1 11 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.443 0.137 19328 3071 1 11 . 1 1 56 56 ASP C C 56 175.600 175.600 176.165 -0.565 19328 3072 1 11 . 1 1 56 56 ASP CA C 56 54.300 54.300 55.765 -1.465 19328 3073 1 11 . 1 1 56 56 ASP CB C 56 40.800 40.800 41.342 -0.542 19328 3074 1 11 . 1 1 57 57 ALA N N 57 124.700 124.700 123.033 1.667 19328 3075 1 11 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.631 -0.091 19328 3076 1 11 . 1 1 57 57 ALA CA C 57 51.100 51.100 49.339 1.761 19328 3077 1 11 . 1 1 57 57 ALA CB C 57 18.200 18.200 19.024 -0.824 19328 3078 1 11 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.430 0.020 19328 3079 1 11 . 1 1 58 58 PRO C C 58 177.100 177.100 177.304 -0.204 19328 3080 1 11 . 1 1 58 58 PRO CA C 58 63.500 63.500 62.848 0.652 19328 3081 1 11 . 1 1 58 58 PRO CB C 58 31.900 31.900 32.405 -0.505 19328 3082 1 11 . 1 1 59 59 SER N N 59 115.500 115.500 117.991 -2.491 19328 3083 1 11 . 1 1 59 59 SER HA H 59 4.430 4.430 4.534 -0.104 19328 3084 1 11 . 1 1 59 59 SER C C 59 174.500 174.500 174.101 0.399 19328 3085 1 11 . 1 1 59 59 SER CA C 59 58.300 58.300 58.265 0.035 19328 3086 1 11 . 1 1 59 59 SER CB C 59 63.700 63.700 63.602 0.098 19328 3087 1 11 . 1 1 60 60 ARG N N 60 123.600 123.600 120.627 2.973 19328 3088 1 11 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.224 0.166 19328 3089 1 11 . 1 1 60 60 ARG C C 60 175.300 175.300 174.943 0.357 19328 3090 1 11 . 1 1 60 60 ARG CA C 60 55.900 55.900 56.569 -0.669 19328 3091 1 11 . 1 1 60 60 ARG CB C 60 30.800 30.800 30.066 0.734 19328 3092 1 12 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.602 0.218 19328 3093 1 12 . 1 1 2 2 HIS C C 2 174.000 174.000 175.285 -1.285 19328 3094 1 12 . 1 1 2 2 HIS CA C 2 55.800 55.800 56.284 -0.484 19328 3095 1 12 . 1 1 2 2 HIS CB C 2 30.400 30.400 29.814 0.587 19328 3096 1 12 . 1 1 3 3 MET N N 3 121.100 121.100 122.059 -0.959 19328 3097 1 12 . 1 1 3 3 MET HA H 3 5.220 5.220 3.848 1.372 19328 3098 1 12 . 1 1 3 3 MET C C 3 176.100 176.100 175.309 0.791 19328 3099 1 12 . 1 1 3 3 MET CA C 3 55.800 55.800 57.910 -2.110 19328 3100 1 12 . 1 1 3 3 MET CB C 3 34.500 34.500 31.522 2.978 19328 3101 1 12 . 1 1 4 4 CYS N N 4 129.800 129.800 116.703 13.097 19328 3102 1 12 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.865 0.365 19328 3103 1 12 . 1 1 4 4 CYS CA C 4 57.000 57.000 57.167 -0.168 19328 3104 1 12 . 1 1 4 4 CYS CB C 4 30.200 30.200 29.218 0.982 19328 3105 1 12 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.471 0.309 19328 3106 1 12 . 1 1 5 5 PRO C C 5 176.800 176.800 175.396 1.404 19328 3107 1 12 . 1 1 5 5 PRO CA C 5 63.300 63.300 62.835 0.465 19328 3108 1 12 . 1 1 5 5 PRO CB C 5 30.100 30.100 30.021 0.079 19328 3109 1 12 . 1 1 6 6 ALA N N 6 125.200 125.200 123.205 1.995 19328 3110 1 12 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.344 0.136 19328 3111 1 12 . 1 1 6 6 ALA C C 6 176.800 176.800 178.016 -1.216 19328 3112 1 12 . 1 1 6 6 ALA CA C 6 53.300 53.300 50.423 2.877 19328 3113 1 12 . 1 1 6 6 ALA CB C 6 20.200 20.200 20.712 -0.512 19328 3114 1 12 . 1 1 7 7 VAL N N 7 121.500 121.500 119.036 2.464 19328 3115 1 12 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.932 -0.202 19328 3116 1 12 . 1 1 7 7 VAL C C 7 177.600 177.600 176.715 0.885 19328 3117 1 12 . 1 1 7 7 VAL CA C 7 66.300 66.300 64.937 1.363 19328 3118 1 12 . 1 1 7 7 VAL CB C 7 31.300 31.300 32.266 -0.966 19328 3119 1 12 . 1 1 8 8 SER N N 8 113.200 113.200 113.186 0.014 19328 3120 1 12 . 1 1 8 8 SER HA H 8 4.550 4.550 4.731 -0.181 19328 3121 1 12 . 1 1 8 8 SER C C 8 172.900 172.900 172.411 0.489 19328 3122 1 12 . 1 1 8 8 SER CA C 8 56.700 56.700 57.770 -1.070 19328 3123 1 12 . 1 1 8 8 SER CB C 8 63.300 63.300 65.636 -2.337 19328 3124 1 12 . 1 1 9 9 CYS N N 9 126.000 126.000 124.094 1.906 19328 3125 1 12 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.842 0.418 19328 3126 1 12 . 1 1 9 9 CYS C C 9 177.300 177.300 175.033 2.267 19328 3127 1 12 . 1 1 9 9 CYS CA C 9 58.200 58.200 58.359 -0.159 19328 3128 1 12 . 1 1 9 9 CYS CB C 9 29.600 29.600 26.686 2.914 19328 3129 1 12 . 1 1 10 10 LEU N N 10 135.700 135.700 127.557 8.143 19328 3130 1 12 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.181 -0.001 19328 3131 1 12 . 1 1 10 10 LEU C C 10 176.300 176.300 177.560 -1.260 19328 3132 1 12 . 1 1 10 10 LEU CA C 10 55.900 55.900 56.298 -0.398 19328 3133 1 12 . 1 1 10 10 LEU CB C 10 41.500 41.500 42.467 -0.966 19328 3134 1 12 . 1 1 11 11 GLN N N 11 120.100 120.100 116.583 3.517 19328 3135 1 12 . 1 1 11 11 GLN HA H 11 3.870 3.870 3.961 -0.091 19328 3136 1 12 . 1 1 11 11 GLN CA C 11 55.400 55.400 55.038 0.362 19328 3137 1 12 . 1 1 11 11 GLN CB C 11 28.100 28.100 28.003 0.097 19328 3138 1 12 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.624 -0.394 19328 3139 1 12 . 1 1 12 12 PRO C C 12 176.700 176.700 176.275 0.425 19328 3140 1 12 . 1 1 12 12 PRO CA C 12 62.700 62.700 62.377 0.323 19328 3141 1 12 . 1 1 12 12 PRO CB C 12 31.300 31.300 32.342 -1.042 19328 3142 1 12 . 1 1 13 13 GLU N N 13 120.800 120.800 119.277 1.523 19328 3143 1 12 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.258 0.082 19328 3144 1 12 . 1 1 13 13 GLU C C 13 176.700 176.700 177.615 -0.915 19328 3145 1 12 . 1 1 13 13 GLU CA C 13 55.600 55.600 56.570 -0.970 19328 3146 1 12 . 1 1 13 13 GLU CB C 13 32.100 32.100 29.683 2.417 19328 3147 1 12 . 1 1 14 14 GLY N N 14 109.000 109.000 115.506 -6.506 19328 3148 1 12 . 1 1 14 14 GLY C C 14 174.100 174.100 174.084 0.016 19328 3149 1 12 . 1 1 14 14 GLY CA C 14 44.800 44.800 44.534 0.266 19328 3150 1 12 . 1 1 15 15 ASP N N 15 118.800 118.800 121.497 -2.697 19328 3151 1 12 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.438 0.242 19328 3152 1 12 . 1 1 15 15 ASP C C 15 177.000 177.000 176.859 0.141 19328 3153 1 12 . 1 1 15 15 ASP CA C 15 55.500 55.500 55.864 -0.364 19328 3154 1 12 . 1 1 15 15 ASP CB C 15 41.400 41.400 41.624 -0.224 19328 3155 1 12 . 1 1 16 16 GLU N N 16 120.100 120.100 117.908 2.192 19328 3156 1 12 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.472 0.088 19328 3157 1 12 . 1 1 16 16 GLU C C 16 175.400 175.400 174.790 0.610 19328 3158 1 12 . 1 1 16 16 GLU CA C 16 55.600 55.600 56.010 -0.410 19328 3159 1 12 . 1 1 16 16 GLU CB C 16 29.200 29.200 30.284 -1.084 19328 3160 1 12 . 1 1 17 17 VAL N N 17 120.100 120.100 121.774 -1.674 19328 3161 1 12 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.218 -0.258 19328 3162 1 12 . 1 1 17 17 VAL C C 17 174.500 174.500 175.141 -0.641 19328 3163 1 12 . 1 1 17 17 VAL CA C 17 61.600 61.600 61.667 -0.067 19328 3164 1 12 . 1 1 17 17 VAL CB C 17 33.200 33.200 32.898 0.302 19328 3165 1 12 . 1 1 18 18 ASP N N 18 122.700 122.700 129.571 -6.871 19328 3166 1 12 . 1 1 18 18 ASP HA H 18 5.130 5.130 4.841 0.289 19328 3167 1 12 . 1 1 18 18 ASP C C 18 176.900 176.900 175.266 1.634 19328 3168 1 12 . 1 1 18 18 ASP CA C 18 54.200 54.200 54.964 -0.764 19328 3169 1 12 . 1 1 18 18 ASP CB C 18 42.500 42.500 41.702 0.798 19328 3170 1 12 . 1 1 19 19 TRP N N 19 124.200 124.200 123.089 1.111 19328 3171 1 12 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.501 0.139 19328 3172 1 12 . 1 1 19 19 TRP C C 19 176.200 176.200 175.754 0.446 19328 3173 1 12 . 1 1 19 19 TRP CA C 19 57.300 57.300 55.457 1.843 19328 3174 1 12 . 1 1 19 19 TRP CB C 19 34.100 34.100 32.615 1.485 19328 3175 1 12 . 1 1 20 20 VAL N N 20 121.500 121.500 119.211 2.289 19328 3176 1 12 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.264 0.536 19328 3177 1 12 . 1 1 20 20 VAL C C 20 170.800 170.800 173.719 -2.919 19328 3178 1 12 . 1 1 20 20 VAL CA C 20 60.600 60.600 60.202 0.398 19328 3179 1 12 . 1 1 20 20 VAL CB C 20 35.300 35.300 35.933 -0.633 19328 3180 1 12 . 1 1 21 21 GLN N N 21 131.300 131.300 127.107 4.193 19328 3181 1 12 . 1 1 21 21 GLN HA H 21 4.480 4.480 3.540 0.940 19328 3182 1 12 . 1 1 21 21 GLN C C 21 175.300 175.300 174.630 0.670 19328 3183 1 12 . 1 1 21 21 GLN CA C 21 53.600 53.600 55.898 -2.298 19328 3184 1 12 . 1 1 21 21 GLN CB C 21 28.300 28.300 28.489 -0.189 19328 3185 1 12 . 1 1 22 22 CYS N N 22 127.400 127.400 126.191 1.209 19328 3186 1 12 . 1 1 22 22 CYS HA H 22 4.500 4.500 4.651 -0.151 19328 3187 1 12 . 1 1 22 22 CYS C C 22 176.100 176.100 176.850 -0.750 19328 3188 1 12 . 1 1 22 22 CYS CA C 22 60.600 60.600 60.083 0.517 19328 3189 1 12 . 1 1 22 22 CYS CB C 22 31.300 31.300 27.749 3.551 19328 3190 1 12 . 1 1 23 23 ASP N N 23 129.200 129.200 119.800 9.400 19328 3191 1 12 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.317 0.493 19328 3192 1 12 . 1 1 23 23 ASP C C 23 176.700 176.700 176.622 0.078 19328 3193 1 12 . 1 1 23 23 ASP CA C 23 55.300 55.300 56.327 -1.027 19328 3194 1 12 . 1 1 23 23 ASP CB C 23 41.300 41.300 39.693 1.607 19328 3195 1 12 . 1 1 24 24 GLY N N 24 116.300 116.300 106.538 9.762 19328 3196 1 12 . 1 1 24 24 GLY C C 24 173.700 173.700 174.766 -1.066 19328 3197 1 12 . 1 1 24 24 GLY CA C 24 43.700 43.700 44.596 -0.896 19328 3198 1 12 . 1 1 25 25 SER N N 25 116.500 116.500 115.355 1.145 19328 3199 1 12 . 1 1 25 25 SER HA H 25 4.180 4.180 4.393 -0.213 19328 3200 1 12 . 1 1 25 25 SER C C 25 176.600 176.600 174.067 2.533 19328 3201 1 12 . 1 1 25 25 SER CA C 25 61.000 61.000 58.326 2.674 19328 3202 1 12 . 1 1 25 25 SER CB C 25 63.700 63.700 61.745 1.955 19328 3203 1 12 . 1 1 26 26 CYS N N 26 122.000 122.000 118.503 3.497 19328 3204 1 12 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.552 -0.152 19328 3205 1 12 . 1 1 26 26 CYS C C 26 176.500 176.500 175.474 1.026 19328 3206 1 12 . 1 1 26 26 CYS CA C 26 60.800 60.800 59.409 1.391 19328 3207 1 12 . 1 1 26 26 CYS CB C 26 29.600 29.600 28.711 0.889 19328 3208 1 12 . 1 1 27 27 ASN N N 27 117.000 117.000 120.866 -3.866 19328 3209 1 12 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.311 0.509 19328 3210 1 12 . 1 1 27 27 ASN C C 27 174.900 174.900 174.511 0.389 19328 3211 1 12 . 1 1 27 27 ASN CA C 27 54.800 54.800 56.044 -1.244 19328 3212 1 12 . 1 1 27 27 ASN CB C 27 39.500 39.500 37.169 2.331 19328 3213 1 12 . 1 1 28 28 GLN N N 28 120.700 120.700 120.389 0.311 19328 3214 1 12 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.096 0.264 19328 3215 1 12 . 1 1 28 28 GLN C C 28 174.600 174.600 175.886 -1.286 19328 3216 1 12 . 1 1 28 28 GLN CA C 28 57.100 57.100 56.528 0.572 19328 3217 1 12 . 1 1 28 28 GLN CB C 28 31.500 31.500 28.788 2.712 19328 3218 1 12 . 1 1 29 29 TRP N N 29 119.600 119.600 121.079 -1.479 19328 3219 1 12 . 1 1 29 29 TRP HA H 29 4.950 4.950 4.714 0.236 19328 3220 1 12 . 1 1 29 29 TRP C C 29 175.400 175.400 176.262 -0.862 19328 3221 1 12 . 1 1 29 29 TRP CA C 29 57.100 57.100 57.478 -0.378 19328 3222 1 12 . 1 1 29 29 TRP CB C 29 30.500 30.500 30.325 0.175 19328 3223 1 12 . 1 1 30 30 PHE N N 30 119.600 119.600 120.912 -1.312 19328 3224 1 12 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.290 0.540 19328 3225 1 12 . 1 1 30 30 PHE C C 30 176.600 176.600 174.739 1.861 19328 3226 1 12 . 1 1 30 30 PHE CA C 30 56.400 56.400 55.992 0.408 19328 3227 1 12 . 1 1 30 30 PHE CB C 30 43.000 43.000 42.398 0.602 19328 3228 1 12 . 1 1 31 31 HIS N N 31 123.600 123.600 121.658 1.942 19328 3229 1 12 . 1 1 31 31 HIS HA H 31 4.230 4.230 4.904 -0.674 19328 3230 1 12 . 1 1 31 31 HIS C C 31 177.400 177.400 176.646 0.754 19328 3231 1 12 . 1 1 31 31 HIS CA C 31 57.100 57.100 55.366 1.734 19328 3232 1 12 . 1 1 31 31 HIS CB C 31 29.800 29.800 29.901 -0.101 19328 3233 1 12 . 1 1 32 32 GLN N N 32 124.100 124.100 121.474 2.626 19328 3234 1 12 . 1 1 32 32 GLN HA H 32 3.520 3.520 3.914 -0.394 19328 3235 1 12 . 1 1 32 32 GLN C C 32 179.100 179.100 178.271 0.829 19328 3236 1 12 . 1 1 32 32 GLN CA C 32 60.600 60.600 59.907 0.693 19328 3237 1 12 . 1 1 32 32 GLN CB C 32 26.900 26.900 28.685 -1.785 19328 3238 1 12 . 1 1 33 33 VAL N N 33 112.800 112.800 112.936 -0.136 19328 3239 1 12 . 1 1 33 33 VAL HA H 33 4.070 4.070 4.037 0.034 19328 3240 1 12 . 1 1 33 33 VAL C C 33 178.200 178.200 176.359 1.841 19328 3241 1 12 . 1 1 33 33 VAL CA C 33 64.400 64.400 64.367 0.033 19328 3242 1 12 . 1 1 33 33 VAL CB C 33 31.600 31.600 31.212 0.388 19328 3243 1 12 . 1 1 34 34 CYS N N 34 120.900 120.900 117.927 2.973 19328 3244 1 12 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.555 -0.475 19328 3245 1 12 . 1 1 34 34 CYS C C 34 177.100 177.100 175.543 1.557 19328 3246 1 12 . 1 1 34 34 CYS CA C 34 62.500 62.500 61.140 1.360 19328 3247 1 12 . 1 1 34 34 CYS CB C 34 29.500 29.500 28.032 1.468 19328 3248 1 12 . 1 1 35 35 VAL N N 35 106.500 106.500 112.981 -6.481 19328 3249 1 12 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.411 0.149 19328 3250 1 12 . 1 1 35 35 VAL C C 35 176.200 176.200 176.034 0.166 19328 3251 1 12 . 1 1 35 35 VAL CA C 35 60.100 60.100 61.019 -0.919 19328 3252 1 12 . 1 1 35 35 VAL CB C 35 31.800 31.800 32.197 -0.397 19328 3253 1 12 . 1 1 36 36 GLY N N 36 109.800 109.800 109.449 0.351 19328 3254 1 12 . 1 1 36 36 GLY C C 36 174.600 174.600 174.463 0.137 19328 3255 1 12 . 1 1 36 36 GLY CA C 36 46.900 46.900 45.658 1.242 19328 3256 1 12 . 1 1 37 37 VAL N N 37 119.000 119.000 120.002 -1.002 19328 3257 1 12 . 1 1 37 37 VAL HA H 37 4.330 4.330 3.869 0.461 19328 3258 1 12 . 1 1 37 37 VAL C C 37 174.000 174.000 176.251 -2.251 19328 3259 1 12 . 1 1 37 37 VAL CA C 37 60.800 60.800 62.329 -1.529 19328 3260 1 12 . 1 1 37 37 VAL CB C 37 34.200 34.200 32.303 1.897 19328 3261 1 12 . 1 1 38 38 SER N N 38 122.000 122.000 123.536 -1.536 19328 3262 1 12 . 1 1 38 38 SER HA H 38 4.900 4.900 4.645 0.255 19328 3263 1 12 . 1 1 38 38 SER C C 38 174.100 174.100 173.764 0.336 19328 3264 1 12 . 1 1 38 38 SER CA C 38 55.500 55.500 56.621 -1.121 19328 3265 1 12 . 1 1 38 38 SER CB C 38 63.800 63.800 63.301 0.499 19328 3266 1 12 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.135 0.225 19328 3267 1 12 . 1 1 39 39 PRO C C 39 179.300 179.300 178.302 0.998 19328 3268 1 12 . 1 1 39 39 PRO CA C 39 65.600 65.600 65.467 0.133 19328 3269 1 12 . 1 1 39 39 PRO CB C 39 31.900 31.900 31.717 0.183 19328 3270 1 12 . 1 1 40 40 GLU N N 40 116.600 116.600 116.840 -0.240 19328 3271 1 12 . 1 1 40 40 GLU HA H 40 4.160 4.160 3.996 0.164 19328 3272 1 12 . 1 1 40 40 GLU C C 40 178.500 178.500 178.389 0.111 19328 3273 1 12 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.495 -0.396 19328 3274 1 12 . 1 1 40 40 GLU CB C 40 29.200 29.200 28.842 0.358 19328 3275 1 12 . 1 1 41 41 MET N N 41 119.300 119.300 117.253 2.047 19328 3276 1 12 . 1 1 41 41 MET HA H 41 4.260 4.260 4.269 -0.009 19328 3277 1 12 . 1 1 41 41 MET C C 41 178.200 178.200 178.764 -0.564 19328 3278 1 12 . 1 1 41 41 MET CA C 41 57.300 57.300 56.756 0.544 19328 3279 1 12 . 1 1 41 41 MET CB C 41 33.400 33.400 31.694 1.706 19328 3280 1 12 . 1 1 42 42 ALA N N 42 121.900 121.900 120.435 1.465 19328 3281 1 12 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.105 0.035 19328 3282 1 12 . 1 1 42 42 ALA C C 42 179.100 179.100 179.259 -0.159 19328 3283 1 12 . 1 1 42 42 ALA CA C 42 54.400 54.400 54.352 0.048 19328 3284 1 12 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.551 0.049 19328 3285 1 12 . 1 1 43 43 GLU N N 43 115.100 115.100 117.015 -1.915 19328 3286 1 12 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.268 0.062 19328 3287 1 12 . 1 1 43 43 GLU C C 43 177.600 177.600 178.036 -0.436 19328 3288 1 12 . 1 1 43 43 GLU CA C 43 57.500 57.500 57.871 -0.371 19328 3289 1 12 . 1 1 43 43 GLU CB C 43 30.200 30.200 30.125 0.076 19328 3290 1 12 . 1 1 44 44 LYS N N 44 117.600 117.600 118.377 -0.777 19328 3291 1 12 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.222 0.108 19328 3292 1 12 . 1 1 44 44 LYS C C 44 176.200 176.200 175.979 0.221 19328 3293 1 12 . 1 1 44 44 LYS CA C 44 57.500 57.500 57.174 0.326 19328 3294 1 12 . 1 1 44 44 LYS CB C 44 34.400 34.400 33.284 1.116 19328 3295 1 12 . 1 1 45 45 GLU N N 45 118.200 118.200 117.603 0.597 19328 3296 1 12 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.009 0.621 19328 3297 1 12 . 1 1 45 45 GLU C C 45 175.400 175.400 175.778 -0.378 19328 3298 1 12 . 1 1 45 45 GLU CA C 45 54.900 54.900 57.889 -2.989 19328 3299 1 12 . 1 1 45 45 GLU CB C 45 32.020 32.020 28.347 3.673 19328 3300 1 12 . 1 1 46 46 ASP N N 46 121.600 121.600 115.329 6.271 19328 3301 1 12 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.224 0.556 19328 3302 1 12 . 1 1 46 46 ASP C C 46 175.900 175.900 175.574 0.326 19328 3303 1 12 . 1 1 46 46 ASP CA C 46 54.200 54.200 55.561 -1.361 19328 3304 1 12 . 1 1 46 46 ASP CB C 46 41.000 41.000 40.247 0.753 19328 3305 1 12 . 1 1 47 47 TYR N N 47 124.600 124.600 121.685 2.915 19328 3306 1 12 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.408 0.142 19328 3307 1 12 . 1 1 47 47 TYR C C 47 172.200 172.200 173.576 -1.376 19328 3308 1 12 . 1 1 47 47 TYR CA C 47 58.000 58.000 58.777 -0.777 19328 3309 1 12 . 1 1 47 47 TYR CB C 47 39.800 39.800 37.399 2.401 19328 3310 1 12 . 1 1 48 48 ILE N N 48 128.000 128.000 126.463 1.537 19328 3311 1 12 . 1 1 48 48 ILE HA H 48 4.470 4.470 4.195 0.275 19328 3312 1 12 . 1 1 48 48 ILE C C 48 174.800 174.800 175.208 -0.408 19328 3313 1 12 . 1 1 48 48 ILE CA C 48 58.600 58.600 59.434 -0.834 19328 3314 1 12 . 1 1 48 48 ILE CB C 48 38.300 38.300 39.483 -1.183 19328 3315 1 12 . 1 1 49 49 CYS N N 49 130.100 130.100 125.473 4.627 19328 3316 1 12 . 1 1 49 49 CYS HA H 49 4.160 4.160 3.954 0.206 19328 3317 1 12 . 1 1 49 49 CYS C C 49 176.400 176.400 176.750 -0.350 19328 3318 1 12 . 1 1 49 49 CYS CA C 49 58.500 58.500 58.677 -0.177 19328 3319 1 12 . 1 1 49 49 CYS CB C 49 31.800 31.800 26.284 5.516 19328 3320 1 12 . 1 1 50 50 VAL N N 50 116.100 116.100 124.931 -8.831 19328 3321 1 12 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.487 0.313 19328 3322 1 12 . 1 1 50 50 VAL C C 50 177.900 177.900 178.015 -0.115 19328 3323 1 12 . 1 1 50 50 VAL CA C 50 65.300 65.300 66.244 -0.944 19328 3324 1 12 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.572 0.228 19328 3325 1 12 . 1 1 51 51 ARG N N 51 121.800 121.800 119.278 2.522 19328 3326 1 12 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.099 0.141 19328 3327 1 12 . 1 1 51 51 ARG C C 51 178.900 178.900 178.694 0.206 19328 3328 1 12 . 1 1 51 51 ARG CA C 51 59.000 59.000 58.956 0.044 19328 3329 1 12 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.627 0.673 19328 3330 1 12 . 1 1 52 52 CYS N N 52 123.700 123.700 118.097 5.603 19328 3331 1 12 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.402 -0.382 19328 3332 1 12 . 1 1 52 52 CYS C C 52 176.500 176.500 176.599 -0.099 19328 3333 1 12 . 1 1 52 52 CYS CA C 52 63.400 63.400 61.689 1.711 19328 3334 1 12 . 1 1 52 52 CYS CB C 52 30.100 30.100 26.047 4.053 19328 3335 1 12 . 1 1 53 53 THR N N 53 115.800 115.800 116.689 -0.889 19328 3336 1 12 . 1 1 53 53 THR HA H 53 3.860 3.860 3.983 -0.123 19328 3337 1 12 . 1 1 53 53 THR C C 53 174.900 174.900 176.821 -1.921 19328 3338 1 12 . 1 1 53 53 THR CA C 53 65.200 65.200 65.967 -0.767 19328 3339 1 12 . 1 1 53 53 THR CB C 53 69.400 69.400 68.588 0.812 19328 3340 1 12 . 1 1 54 54 VAL N N 54 120.900 120.900 121.168 -0.268 19328 3341 1 12 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.783 0.237 19328 3342 1 12 . 1 1 54 54 VAL C C 54 176.600 176.600 176.236 0.364 19328 3343 1 12 . 1 1 54 54 VAL CA C 54 63.200 63.200 65.600 -2.400 19328 3344 1 12 . 1 1 54 54 VAL CB C 54 32.400 32.400 31.738 0.662 19328 3345 1 12 . 1 1 55 55 LYS N N 55 123.100 123.100 117.488 5.612 19328 3346 1 12 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.501 -0.291 19328 3347 1 12 . 1 1 55 55 LYS C C 55 176.700 176.700 176.957 -0.257 19328 3348 1 12 . 1 1 55 55 LYS CA C 55 57.200 57.200 55.017 2.183 19328 3349 1 12 . 1 1 55 55 LYS CB C 55 33.100 33.100 32.310 0.790 19328 3350 1 12 . 1 1 56 56 ASP N N 56 119.600 119.600 121.624 -2.024 19328 3351 1 12 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.422 0.158 19328 3352 1 12 . 1 1 56 56 ASP C C 56 175.600 175.600 175.364 0.236 19328 3353 1 12 . 1 1 56 56 ASP CA C 56 54.300 54.300 56.446 -2.146 19328 3354 1 12 . 1 1 56 56 ASP CB C 56 40.800 40.800 41.324 -0.524 19328 3355 1 12 . 1 1 57 57 ALA N N 57 124.700 124.700 121.569 3.131 19328 3356 1 12 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.697 -0.157 19328 3357 1 12 . 1 1 57 57 ALA CA C 57 51.100 51.100 49.307 1.793 19328 3358 1 12 . 1 1 57 57 ALA CB C 57 18.200 18.200 19.228 -1.028 19328 3359 1 12 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.530 -0.080 19328 3360 1 12 . 1 1 58 58 PRO C C 58 177.100 177.100 176.122 0.978 19328 3361 1 12 . 1 1 58 58 PRO CA C 58 63.500 63.500 63.216 0.284 19328 3362 1 12 . 1 1 58 58 PRO CB C 58 31.900 31.900 30.722 1.178 19328 3363 1 12 . 1 1 59 59 SER N N 59 115.500 115.500 120.218 -4.718 19328 3364 1 12 . 1 1 59 59 SER HA H 59 4.430 4.430 4.607 -0.177 19328 3365 1 12 . 1 1 59 59 SER C C 59 174.500 174.500 174.117 0.383 19328 3366 1 12 . 1 1 59 59 SER CA C 59 58.300 58.300 58.438 -0.138 19328 3367 1 12 . 1 1 59 59 SER CB C 59 63.700 63.700 64.494 -0.794 19328 3368 1 12 . 1 1 60 60 ARG N N 60 123.600 123.600 120.281 3.319 19328 3369 1 12 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.685 -0.295 19328 3370 1 12 . 1 1 60 60 ARG C C 60 175.300 175.300 174.598 0.702 19328 3371 1 12 . 1 1 60 60 ARG CA C 60 55.900 55.900 55.839 0.061 19328 3372 1 12 . 1 1 60 60 ARG CB C 60 30.800 30.800 31.624 -0.824 19328 3373 1 13 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.891 -0.071 19328 3374 1 13 . 1 1 2 2 HIS C C 2 174.000 174.000 174.192 -0.192 19328 3375 1 13 . 1 1 2 2 HIS CA C 2 55.800 55.800 55.643 0.157 19328 3376 1 13 . 1 1 2 2 HIS CB C 2 30.400 30.400 30.360 0.040 19328 3377 1 13 . 1 1 3 3 MET N N 3 121.100 121.100 124.323 -3.223 19328 3378 1 13 . 1 1 3 3 MET HA H 3 5.220 5.220 4.474 0.746 19328 3379 1 13 . 1 1 3 3 MET C C 3 176.100 176.100 176.222 -0.122 19328 3380 1 13 . 1 1 3 3 MET CA C 3 55.800 55.800 55.060 0.740 19328 3381 1 13 . 1 1 3 3 MET CB C 3 34.500 34.500 32.800 1.700 19328 3382 1 13 . 1 1 4 4 CYS N N 4 129.800 129.800 124.966 4.834 19328 3383 1 13 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.286 0.944 19328 3384 1 13 . 1 1 4 4 CYS CA C 4 57.000 57.000 57.904 -0.904 19328 3385 1 13 . 1 1 4 4 CYS CB C 4 30.200 30.200 26.491 3.709 19328 3386 1 13 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.307 0.473 19328 3387 1 13 . 1 1 5 5 PRO C C 5 176.800 176.800 177.072 -0.272 19328 3388 1 13 . 1 1 5 5 PRO CA C 5 63.300 63.300 64.050 -0.750 19328 3389 1 13 . 1 1 5 5 PRO CB C 5 30.100 30.100 32.483 -2.383 19328 3390 1 13 . 1 1 6 6 ALA N N 6 125.200 125.200 118.092 7.108 19328 3391 1 13 . 1 1 6 6 ALA HA H 6 4.480 4.480 3.863 0.617 19328 3392 1 13 . 1 1 6 6 ALA C C 6 176.800 176.800 178.039 -1.239 19328 3393 1 13 . 1 1 6 6 ALA CA C 6 53.300 53.300 53.102 0.198 19328 3394 1 13 . 1 1 6 6 ALA CB C 6 20.200 20.200 17.854 2.346 19328 3395 1 13 . 1 1 7 7 VAL N N 7 121.500 121.500 113.047 8.453 19328 3396 1 13 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.519 0.211 19328 3397 1 13 . 1 1 7 7 VAL C C 7 177.600 177.600 176.084 1.516 19328 3398 1 13 . 1 1 7 7 VAL CA C 7 66.300 66.300 64.790 1.510 19328 3399 1 13 . 1 1 7 7 VAL CB C 7 31.300 31.300 31.064 0.236 19328 3400 1 13 . 1 1 8 8 SER N N 8 113.200 113.200 117.411 -4.211 19328 3401 1 13 . 1 1 8 8 SER HA H 8 4.550 4.550 4.659 -0.109 19328 3402 1 13 . 1 1 8 8 SER C C 8 172.900 172.900 173.245 -0.345 19328 3403 1 13 . 1 1 8 8 SER CA C 8 56.700 56.700 57.740 -1.040 19328 3404 1 13 . 1 1 8 8 SER CB C 8 63.300 63.300 62.450 0.850 19328 3405 1 13 . 1 1 9 9 CYS N N 9 126.000 126.000 126.859 -0.859 19328 3406 1 13 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.583 0.677 19328 3407 1 13 . 1 1 9 9 CYS C C 9 177.300 177.300 175.111 2.189 19328 3408 1 13 . 1 1 9 9 CYS CA C 9 58.200 58.200 57.872 0.328 19328 3409 1 13 . 1 1 9 9 CYS CB C 9 29.600 29.600 25.682 3.918 19328 3410 1 13 . 1 1 10 10 LEU N N 10 135.700 135.700 129.470 6.230 19328 3411 1 13 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.194 -0.014 19328 3412 1 13 . 1 1 10 10 LEU C C 10 176.300 176.300 176.143 0.157 19328 3413 1 13 . 1 1 10 10 LEU CA C 10 55.900 55.900 55.531 0.369 19328 3414 1 13 . 1 1 10 10 LEU CB C 10 41.500 41.500 41.544 -0.044 19328 3415 1 13 . 1 1 11 11 GLN N N 11 120.100 120.100 123.167 -3.067 19328 3416 1 13 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.611 -0.741 19328 3417 1 13 . 1 1 11 11 GLN CA C 11 55.400 55.400 52.359 3.041 19328 3418 1 13 . 1 1 11 11 GLN CB C 11 28.100 28.100 28.065 0.035 19328 3419 1 13 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.300 -0.070 19328 3420 1 13 . 1 1 12 12 PRO C C 12 176.700 176.700 176.824 -0.124 19328 3421 1 13 . 1 1 12 12 PRO CA C 12 62.700 62.700 62.759 -0.059 19328 3422 1 13 . 1 1 12 12 PRO CB C 12 31.300 31.300 32.366 -1.066 19328 3423 1 13 . 1 1 13 13 GLU N N 13 120.800 120.800 121.563 -0.763 19328 3424 1 13 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.037 0.303 19328 3425 1 13 . 1 1 13 13 GLU C C 13 176.700 176.700 176.881 -0.181 19328 3426 1 13 . 1 1 13 13 GLU CA C 13 55.600 55.600 56.608 -1.008 19328 3427 1 13 . 1 1 13 13 GLU CB C 13 32.100 32.100 27.959 4.141 19328 3428 1 13 . 1 1 14 14 GLY N N 14 109.000 109.000 115.934 -6.934 19328 3429 1 13 . 1 1 14 14 GLY C C 14 174.100 174.100 173.861 0.239 19328 3430 1 13 . 1 1 14 14 GLY CA C 14 44.800 44.800 44.713 0.087 19328 3431 1 13 . 1 1 15 15 ASP N N 15 118.800 118.800 121.906 -3.106 19328 3432 1 13 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.756 -0.076 19328 3433 1 13 . 1 1 15 15 ASP C C 15 177.000 177.000 175.559 1.441 19328 3434 1 13 . 1 1 15 15 ASP CA C 15 55.500 55.500 53.859 1.641 19328 3435 1 13 . 1 1 15 15 ASP CB C 15 41.400 41.400 39.947 1.453 19328 3436 1 13 . 1 1 16 16 GLU N N 16 120.100 120.100 124.723 -4.623 19328 3437 1 13 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.443 0.117 19328 3438 1 13 . 1 1 16 16 GLU C C 16 175.400 175.400 175.181 0.219 19328 3439 1 13 . 1 1 16 16 GLU CA C 16 55.600 55.600 56.743 -1.143 19328 3440 1 13 . 1 1 16 16 GLU CB C 16 29.200 29.200 30.080 -0.880 19328 3441 1 13 . 1 1 17 17 VAL N N 17 120.100 120.100 116.452 3.648 19328 3442 1 13 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.523 -0.563 19328 3443 1 13 . 1 1 17 17 VAL C C 17 174.500 174.500 174.965 -0.465 19328 3444 1 13 . 1 1 17 17 VAL CA C 17 61.600 61.600 59.743 1.857 19328 3445 1 13 . 1 1 17 17 VAL CB C 17 33.200 33.200 35.137 -1.937 19328 3446 1 13 . 1 1 18 18 ASP N N 18 122.700 122.700 122.414 0.286 19328 3447 1 13 . 1 1 18 18 ASP HA H 18 5.130 5.130 4.835 0.295 19328 3448 1 13 . 1 1 18 18 ASP C C 18 176.900 176.900 175.632 1.268 19328 3449 1 13 . 1 1 18 18 ASP CA C 18 54.200 54.200 54.993 -0.793 19328 3450 1 13 . 1 1 18 18 ASP CB C 18 42.500 42.500 41.623 0.877 19328 3451 1 13 . 1 1 19 19 TRP N N 19 124.200 124.200 121.274 2.926 19328 3452 1 13 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.474 0.166 19328 3453 1 13 . 1 1 19 19 TRP C C 19 176.200 176.200 176.087 0.113 19328 3454 1 13 . 1 1 19 19 TRP CA C 19 57.300 57.300 55.176 2.124 19328 3455 1 13 . 1 1 19 19 TRP CB C 19 34.100 34.100 32.633 1.468 19328 3456 1 13 . 1 1 20 20 VAL N N 20 121.500 121.500 118.707 2.793 19328 3457 1 13 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.367 0.433 19328 3458 1 13 . 1 1 20 20 VAL C C 20 170.800 170.800 173.290 -2.490 19328 3459 1 13 . 1 1 20 20 VAL CA C 20 60.600 60.600 60.791 -0.191 19328 3460 1 13 . 1 1 20 20 VAL CB C 20 35.300 35.300 36.218 -0.918 19328 3461 1 13 . 1 1 21 21 GLN N N 21 131.300 131.300 126.711 4.589 19328 3462 1 13 . 1 1 21 21 GLN HA H 21 4.480 4.480 4.644 -0.164 19328 3463 1 13 . 1 1 21 21 GLN C C 21 175.300 175.300 174.078 1.222 19328 3464 1 13 . 1 1 21 21 GLN CA C 21 53.600 53.600 54.294 -0.694 19328 3465 1 13 . 1 1 21 21 GLN CB C 21 28.300 28.300 30.644 -2.344 19328 3466 1 13 . 1 1 22 22 CYS N N 22 127.400 127.400 127.870 -0.470 19328 3467 1 13 . 1 1 22 22 CYS HA H 22 4.500 4.500 5.179 -0.679 19328 3468 1 13 . 1 1 22 22 CYS C C 22 176.100 176.100 173.778 2.322 19328 3469 1 13 . 1 1 22 22 CYS CA C 22 60.600 60.600 56.219 4.381 19328 3470 1 13 . 1 1 22 22 CYS CB C 22 31.300 31.300 26.691 4.609 19328 3471 1 13 . 1 1 23 23 ASP N N 23 129.200 129.200 127.275 1.925 19328 3472 1 13 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.670 0.140 19328 3473 1 13 . 1 1 23 23 ASP C C 23 176.700 176.700 175.593 1.107 19328 3474 1 13 . 1 1 23 23 ASP CA C 23 55.300 55.300 54.390 0.910 19328 3475 1 13 . 1 1 23 23 ASP CB C 23 41.300 41.300 40.360 0.940 19328 3476 1 13 . 1 1 24 24 GLY N N 24 116.300 116.300 111.330 4.970 19328 3477 1 13 . 1 1 24 24 GLY C C 24 173.700 173.700 173.559 0.141 19328 3478 1 13 . 1 1 24 24 GLY CA C 24 43.700 43.700 45.831 -2.131 19328 3479 1 13 . 1 1 25 25 SER N N 25 116.500 116.500 115.977 0.523 19328 3480 1 13 . 1 1 25 25 SER HA H 25 4.180 4.180 4.868 -0.688 19328 3481 1 13 . 1 1 25 25 SER C C 25 176.600 176.600 173.344 3.256 19328 3482 1 13 . 1 1 25 25 SER CA C 25 61.000 61.000 57.910 3.090 19328 3483 1 13 . 1 1 25 25 SER CB C 25 63.700 63.700 62.504 1.196 19328 3484 1 13 . 1 1 26 26 CYS N N 26 122.000 122.000 119.207 2.793 19328 3485 1 13 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.563 -0.163 19328 3486 1 13 . 1 1 26 26 CYS C C 26 176.500 176.500 173.657 2.843 19328 3487 1 13 . 1 1 26 26 CYS CA C 26 60.800 60.800 59.264 1.536 19328 3488 1 13 . 1 1 26 26 CYS CB C 26 29.600 29.600 29.175 0.425 19328 3489 1 13 . 1 1 27 27 ASN N N 27 117.000 117.000 116.549 0.451 19328 3490 1 13 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.452 0.368 19328 3491 1 13 . 1 1 27 27 ASN C C 27 174.900 174.900 174.279 0.621 19328 3492 1 13 . 1 1 27 27 ASN CA C 27 54.800 54.800 54.799 0.001 19328 3493 1 13 . 1 1 27 27 ASN CB C 27 39.500 39.500 37.013 2.487 19328 3494 1 13 . 1 1 28 28 GLN N N 28 120.700 120.700 116.468 4.232 19328 3495 1 13 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.485 -0.125 19328 3496 1 13 . 1 1 28 28 GLN C C 28 174.600 174.600 174.709 -0.109 19328 3497 1 13 . 1 1 28 28 GLN CA C 28 57.100 57.100 53.992 3.108 19328 3498 1 13 . 1 1 28 28 GLN CB C 28 31.500 31.500 31.200 0.300 19328 3499 1 13 . 1 1 29 29 TRP N N 29 119.600 119.600 119.235 0.365 19328 3500 1 13 . 1 1 29 29 TRP HA H 29 4.950 4.950 4.806 0.144 19328 3501 1 13 . 1 1 29 29 TRP C C 29 175.400 175.400 176.153 -0.753 19328 3502 1 13 . 1 1 29 29 TRP CA C 29 57.100 57.100 56.962 0.138 19328 3503 1 13 . 1 1 29 29 TRP CB C 29 30.500 30.500 30.458 0.042 19328 3504 1 13 . 1 1 30 30 PHE N N 30 119.600 119.600 121.192 -1.592 19328 3505 1 13 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.330 0.500 19328 3506 1 13 . 1 1 30 30 PHE C C 30 176.600 176.600 174.927 1.673 19328 3507 1 13 . 1 1 30 30 PHE CA C 30 56.400 56.400 55.773 0.627 19328 3508 1 13 . 1 1 30 30 PHE CB C 30 43.000 43.000 42.603 0.397 19328 3509 1 13 . 1 1 31 31 HIS N N 31 123.600 123.600 121.657 1.943 19328 3510 1 13 . 1 1 31 31 HIS HA H 31 4.230 4.230 4.597 -0.367 19328 3511 1 13 . 1 1 31 31 HIS C C 31 177.400 177.400 176.330 1.070 19328 3512 1 13 . 1 1 31 31 HIS CA C 31 57.100 57.100 55.972 1.128 19328 3513 1 13 . 1 1 31 31 HIS CB C 31 29.800 29.800 29.708 0.092 19328 3514 1 13 . 1 1 32 32 GLN N N 32 124.100 124.100 122.287 1.813 19328 3515 1 13 . 1 1 32 32 GLN HA H 32 3.520 3.520 3.972 -0.452 19328 3516 1 13 . 1 1 32 32 GLN C C 32 179.100 179.100 177.925 1.175 19328 3517 1 13 . 1 1 32 32 GLN CA C 32 60.600 60.600 59.847 0.753 19328 3518 1 13 . 1 1 32 32 GLN CB C 32 26.900 26.900 29.037 -2.137 19328 3519 1 13 . 1 1 33 33 VAL N N 33 112.800 112.800 111.911 0.889 19328 3520 1 13 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.784 0.286 19328 3521 1 13 . 1 1 33 33 VAL C C 33 178.200 178.200 176.525 1.675 19328 3522 1 13 . 1 1 33 33 VAL CA C 33 64.400 64.400 64.211 0.189 19328 3523 1 13 . 1 1 33 33 VAL CB C 33 31.600 31.600 31.463 0.137 19328 3524 1 13 . 1 1 34 34 CYS N N 34 120.900 120.900 118.097 2.803 19328 3525 1 13 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.390 -0.310 19328 3526 1 13 . 1 1 34 34 CYS C C 34 177.100 177.100 177.072 0.028 19328 3527 1 13 . 1 1 34 34 CYS CA C 34 62.500 62.500 61.810 0.690 19328 3528 1 13 . 1 1 34 34 CYS CB C 34 29.500 29.500 27.069 2.431 19328 3529 1 13 . 1 1 35 35 VAL N N 35 106.500 106.500 115.402 -8.902 19328 3530 1 13 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.087 0.473 19328 3531 1 13 . 1 1 35 35 VAL C C 35 176.200 176.200 176.167 0.033 19328 3532 1 13 . 1 1 35 35 VAL CA C 35 60.100 60.100 62.181 -2.081 19328 3533 1 13 . 1 1 35 35 VAL CB C 35 31.800 31.800 31.478 0.322 19328 3534 1 13 . 1 1 36 36 GLY N N 36 109.800 109.800 108.410 1.390 19328 3535 1 13 . 1 1 36 36 GLY C C 36 174.600 174.600 174.730 -0.130 19328 3536 1 13 . 1 1 36 36 GLY CA C 36 46.900 46.900 45.693 1.207 19328 3537 1 13 . 1 1 37 37 VAL N N 37 119.000 119.000 118.070 0.930 19328 3538 1 13 . 1 1 37 37 VAL HA H 37 4.330 4.330 3.868 0.462 19328 3539 1 13 . 1 1 37 37 VAL C C 37 174.000 174.000 175.628 -1.628 19328 3540 1 13 . 1 1 37 37 VAL CA C 37 60.800 60.800 61.903 -1.103 19328 3541 1 13 . 1 1 37 37 VAL CB C 37 34.200 34.200 32.733 1.467 19328 3542 1 13 . 1 1 38 38 SER N N 38 122.000 122.000 123.753 -1.753 19328 3543 1 13 . 1 1 38 38 SER HA H 38 4.900 4.900 4.562 0.338 19328 3544 1 13 . 1 1 38 38 SER C C 38 174.100 174.100 174.439 -0.339 19328 3545 1 13 . 1 1 38 38 SER CA C 38 55.500 55.500 57.570 -2.070 19328 3546 1 13 . 1 1 38 38 SER CB C 38 63.800 63.800 63.387 0.413 19328 3547 1 13 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.228 0.132 19328 3548 1 13 . 1 1 39 39 PRO C C 39 179.300 179.300 178.748 0.552 19328 3549 1 13 . 1 1 39 39 PRO CA C 39 65.600 65.600 65.328 0.272 19328 3550 1 13 . 1 1 39 39 PRO CB C 39 31.900 31.900 31.813 0.087 19328 3551 1 13 . 1 1 40 40 GLU N N 40 116.600 116.600 118.181 -1.581 19328 3552 1 13 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.056 0.104 19328 3553 1 13 . 1 1 40 40 GLU C C 40 178.500 178.500 178.687 -0.187 19328 3554 1 13 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.560 -0.460 19328 3555 1 13 . 1 1 40 40 GLU CB C 40 29.200 29.200 29.107 0.093 19328 3556 1 13 . 1 1 41 41 MET N N 41 119.300 119.300 117.707 1.593 19328 3557 1 13 . 1 1 41 41 MET HA H 41 4.260 4.260 4.324 -0.064 19328 3558 1 13 . 1 1 41 41 MET C C 41 178.200 178.200 178.366 -0.166 19328 3559 1 13 . 1 1 41 41 MET CA C 41 57.300 57.300 56.182 1.118 19328 3560 1 13 . 1 1 41 41 MET CB C 41 33.400 33.400 31.571 1.829 19328 3561 1 13 . 1 1 42 42 ALA N N 42 121.900 121.900 122.174 -0.274 19328 3562 1 13 . 1 1 42 42 ALA HA H 42 4.140 4.140 3.989 0.151 19328 3563 1 13 . 1 1 42 42 ALA C C 42 179.100 179.100 179.315 -0.215 19328 3564 1 13 . 1 1 42 42 ALA CA C 42 54.400 54.400 55.262 -0.862 19328 3565 1 13 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.305 0.295 19328 3566 1 13 . 1 1 43 43 GLU N N 43 115.100 115.100 117.175 -2.075 19328 3567 1 13 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.155 0.175 19328 3568 1 13 . 1 1 43 43 GLU C C 43 177.600 177.600 178.412 -0.812 19328 3569 1 13 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.268 -0.768 19328 3570 1 13 . 1 1 43 43 GLU CB C 43 30.200 30.200 29.692 0.508 19328 3571 1 13 . 1 1 44 44 LYS N N 44 117.600 117.600 118.111 -0.511 19328 3572 1 13 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.224 0.106 19328 3573 1 13 . 1 1 44 44 LYS C C 44 176.200 176.200 176.069 0.131 19328 3574 1 13 . 1 1 44 44 LYS CA C 44 57.500 57.500 56.932 0.568 19328 3575 1 13 . 1 1 44 44 LYS CB C 44 34.400 34.400 32.792 1.608 19328 3576 1 13 . 1 1 45 45 GLU N N 45 118.200 118.200 113.245 4.955 19328 3577 1 13 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.046 0.584 19328 3578 1 13 . 1 1 45 45 GLU C C 45 175.400 175.400 174.513 0.887 19328 3579 1 13 . 1 1 45 45 GLU CA C 45 54.900 54.900 57.687 -2.787 19328 3580 1 13 . 1 1 45 45 GLU CB C 45 32.020 32.020 27.883 4.137 19328 3581 1 13 . 1 1 46 46 ASP N N 46 121.600 121.600 118.841 2.759 19328 3582 1 13 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.910 -0.130 19328 3583 1 13 . 1 1 46 46 ASP C C 46 175.900 175.900 174.541 1.359 19328 3584 1 13 . 1 1 46 46 ASP CA C 46 54.200 54.200 53.387 0.813 19328 3585 1 13 . 1 1 46 46 ASP CB C 46 41.000 41.000 41.994 -0.994 19328 3586 1 13 . 1 1 47 47 TYR N N 47 124.600 124.600 127.268 -2.668 19328 3587 1 13 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.825 -0.275 19328 3588 1 13 . 1 1 47 47 TYR C C 47 172.200 172.200 173.215 -1.015 19328 3589 1 13 . 1 1 47 47 TYR CA C 47 58.000 58.000 56.981 1.019 19328 3590 1 13 . 1 1 47 47 TYR CB C 47 39.800 39.800 40.188 -0.388 19328 3591 1 13 . 1 1 48 48 ILE N N 48 128.000 128.000 127.755 0.245 19328 3592 1 13 . 1 1 48 48 ILE HA H 48 4.470 4.470 4.141 0.329 19328 3593 1 13 . 1 1 48 48 ILE C C 48 174.800 174.800 175.609 -0.809 19328 3594 1 13 . 1 1 48 48 ILE CA C 48 58.600 58.600 58.972 -0.372 19328 3595 1 13 . 1 1 48 48 ILE CB C 48 38.300 38.300 37.816 0.484 19328 3596 1 13 . 1 1 49 49 CYS N N 49 130.100 130.100 127.047 3.053 19328 3597 1 13 . 1 1 49 49 CYS HA H 49 4.160 4.160 3.920 0.240 19328 3598 1 13 . 1 1 49 49 CYS C C 49 176.400 176.400 176.690 -0.290 19328 3599 1 13 . 1 1 49 49 CYS CA C 49 58.500 58.500 59.403 -0.903 19328 3600 1 13 . 1 1 49 49 CYS CB C 49 31.800 31.800 27.101 4.699 19328 3601 1 13 . 1 1 50 50 VAL N N 50 116.100 116.100 121.415 -5.315 19328 3602 1 13 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.629 0.171 19328 3603 1 13 . 1 1 50 50 VAL C C 50 177.900 177.900 177.959 -0.059 19328 3604 1 13 . 1 1 50 50 VAL CA C 50 65.300 65.300 66.516 -1.216 19328 3605 1 13 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.443 0.357 19328 3606 1 13 . 1 1 51 51 ARG N N 51 121.800 121.800 120.160 1.640 19328 3607 1 13 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.038 0.202 19328 3608 1 13 . 1 1 51 51 ARG C C 51 178.900 178.900 178.461 0.439 19328 3609 1 13 . 1 1 51 51 ARG CA C 51 59.000 59.000 58.879 0.121 19328 3610 1 13 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.082 1.218 19328 3611 1 13 . 1 1 52 52 CYS N N 52 123.700 123.700 115.570 8.130 19328 3612 1 13 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.355 -0.335 19328 3613 1 13 . 1 1 52 52 CYS C C 52 176.500 176.500 176.920 -0.420 19328 3614 1 13 . 1 1 52 52 CYS CA C 52 63.400 63.400 61.014 2.386 19328 3615 1 13 . 1 1 52 52 CYS CB C 52 30.100 30.100 26.017 4.083 19328 3616 1 13 . 1 1 53 53 THR N N 53 115.800 115.800 116.228 -0.428 19328 3617 1 13 . 1 1 53 53 THR HA H 53 3.860 3.860 4.103 -0.243 19328 3618 1 13 . 1 1 53 53 THR C C 53 174.900 174.900 176.506 -1.606 19328 3619 1 13 . 1 1 53 53 THR CA C 53 65.200 65.200 65.952 -0.752 19328 3620 1 13 . 1 1 53 53 THR CB C 53 69.400 69.400 68.959 0.441 19328 3621 1 13 . 1 1 54 54 VAL N N 54 120.900 120.900 120.379 0.521 19328 3622 1 13 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.753 0.267 19328 3623 1 13 . 1 1 54 54 VAL C C 54 176.600 176.600 177.199 -0.599 19328 3624 1 13 . 1 1 54 54 VAL CA C 54 63.200 63.200 64.700 -1.500 19328 3625 1 13 . 1 1 54 54 VAL CB C 54 32.400 32.400 30.752 1.648 19328 3626 1 13 . 1 1 55 55 LYS N N 55 123.100 123.100 118.822 4.278 19328 3627 1 13 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.046 0.164 19328 3628 1 13 . 1 1 55 55 LYS C C 55 176.700 176.700 176.982 -0.282 19328 3629 1 13 . 1 1 55 55 LYS CA C 55 57.200 57.200 58.739 -1.540 19328 3630 1 13 . 1 1 55 55 LYS CB C 55 33.100 33.100 32.754 0.346 19328 3631 1 13 . 1 1 56 56 ASP N N 56 119.600 119.600 115.493 4.107 19328 3632 1 13 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.611 -0.031 19328 3633 1 13 . 1 1 56 56 ASP C C 56 175.600 175.600 174.732 0.868 19328 3634 1 13 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.365 -0.065 19328 3635 1 13 . 1 1 56 56 ASP CB C 56 40.800 40.800 42.746 -1.946 19328 3636 1 13 . 1 1 57 57 ALA N N 57 124.700 124.700 123.446 1.254 19328 3637 1 13 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.102 0.438 19328 3638 1 13 . 1 1 57 57 ALA CA C 57 51.100 51.100 52.293 -1.193 19328 3639 1 13 . 1 1 57 57 ALA CB C 57 18.200 18.200 17.893 0.307 19328 3640 1 13 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.540 -0.090 19328 3641 1 13 . 1 1 58 58 PRO C C 58 177.100 177.100 176.296 0.804 19328 3642 1 13 . 1 1 58 58 PRO CA C 58 63.500 63.500 63.109 0.391 19328 3643 1 13 . 1 1 58 58 PRO CB C 58 31.900 31.900 30.628 1.272 19328 3644 1 13 . 1 1 59 59 SER N N 59 115.500 115.500 116.042 -0.542 19328 3645 1 13 . 1 1 59 59 SER HA H 59 4.430 4.430 4.317 0.113 19328 3646 1 13 . 1 1 59 59 SER C C 59 174.500 174.500 174.829 -0.329 19328 3647 1 13 . 1 1 59 59 SER CA C 59 58.300 58.300 59.215 -0.915 19328 3648 1 13 . 1 1 59 59 SER CB C 59 63.700 63.700 63.337 0.363 19328 3649 1 13 . 1 1 60 60 ARG N N 60 123.600 123.600 123.683 -0.083 19328 3650 1 13 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.238 0.152 19328 3651 1 13 . 1 1 60 60 ARG C C 60 175.300 175.300 175.607 -0.307 19328 3652 1 13 . 1 1 60 60 ARG CA C 60 55.900 55.900 56.326 -0.426 19328 3653 1 13 . 1 1 60 60 ARG CB C 60 30.800 30.800 29.180 1.620 19328 3654 1 14 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.817 0.003 19328 3655 1 14 . 1 1 2 2 HIS C C 2 174.000 174.000 175.152 -1.152 19328 3656 1 14 . 1 1 2 2 HIS CA C 2 55.800 55.800 55.956 -0.157 19328 3657 1 14 . 1 1 2 2 HIS CB C 2 30.400 30.400 29.366 1.034 19328 3658 1 14 . 1 1 3 3 MET N N 3 121.100 121.100 122.992 -1.892 19328 3659 1 14 . 1 1 3 3 MET HA H 3 5.220 5.220 4.425 0.795 19328 3660 1 14 . 1 1 3 3 MET C C 3 176.100 176.100 175.869 0.231 19328 3661 1 14 . 1 1 3 3 MET CA C 3 55.800 55.800 56.003 -0.203 19328 3662 1 14 . 1 1 3 3 MET CB C 3 34.500 34.500 33.454 1.046 19328 3663 1 14 . 1 1 4 4 CYS N N 4 129.800 129.800 117.070 12.730 19328 3664 1 14 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.855 0.375 19328 3665 1 14 . 1 1 4 4 CYS CA C 4 57.000 57.000 57.788 -0.788 19328 3666 1 14 . 1 1 4 4 CYS CB C 4 30.200 30.200 28.500 1.700 19328 3667 1 14 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.456 0.324 19328 3668 1 14 . 1 1 5 5 PRO C C 5 176.800 176.800 176.892 -0.092 19328 3669 1 14 . 1 1 5 5 PRO CA C 5 63.300 63.300 64.256 -0.956 19328 3670 1 14 . 1 1 5 5 PRO CB C 5 30.100 30.100 32.610 -2.510 19328 3671 1 14 . 1 1 6 6 ALA N N 6 125.200 125.200 118.679 6.521 19328 3672 1 14 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.061 0.419 19328 3673 1 14 . 1 1 6 6 ALA C C 6 176.800 176.800 177.950 -1.150 19328 3674 1 14 . 1 1 6 6 ALA CA C 6 53.300 53.300 53.449 -0.149 19328 3675 1 14 . 1 1 6 6 ALA CB C 6 20.200 20.200 17.912 2.288 19328 3676 1 14 . 1 1 7 7 VAL N N 7 121.500 121.500 114.321 7.179 19328 3677 1 14 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.552 0.178 19328 3678 1 14 . 1 1 7 7 VAL C C 7 177.600 177.600 176.309 1.291 19328 3679 1 14 . 1 1 7 7 VAL CA C 7 66.300 66.300 65.066 1.234 19328 3680 1 14 . 1 1 7 7 VAL CB C 7 31.300 31.300 30.500 0.800 19328 3681 1 14 . 1 1 8 8 SER N N 8 113.200 113.200 117.933 -4.733 19328 3682 1 14 . 1 1 8 8 SER HA H 8 4.550 4.550 4.608 -0.058 19328 3683 1 14 . 1 1 8 8 SER C C 8 172.900 172.900 172.907 -0.007 19328 3684 1 14 . 1 1 8 8 SER CA C 8 56.700 56.700 57.639 -0.939 19328 3685 1 14 . 1 1 8 8 SER CB C 8 63.300 63.300 62.840 0.460 19328 3686 1 14 . 1 1 9 9 CYS N N 9 126.000 126.000 126.235 -0.235 19328 3687 1 14 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.617 0.643 19328 3688 1 14 . 1 1 9 9 CYS C C 9 177.300 177.300 174.945 2.355 19328 3689 1 14 . 1 1 9 9 CYS CA C 9 58.200 58.200 57.740 0.460 19328 3690 1 14 . 1 1 9 9 CYS CB C 9 29.600 29.600 25.823 3.776 19328 3691 1 14 . 1 1 10 10 LEU N N 10 135.700 135.700 129.464 6.236 19328 3692 1 14 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.213 -0.033 19328 3693 1 14 . 1 1 10 10 LEU C C 10 176.300 176.300 176.359 -0.059 19328 3694 1 14 . 1 1 10 10 LEU CA C 10 55.900 55.900 55.511 0.389 19328 3695 1 14 . 1 1 10 10 LEU CB C 10 41.500 41.500 42.023 -0.523 19328 3696 1 14 . 1 1 11 11 GLN N N 11 120.100 120.100 124.005 -3.905 19328 3697 1 14 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.609 -0.739 19328 3698 1 14 . 1 1 11 11 GLN CA C 11 55.400 55.400 53.595 1.805 19328 3699 1 14 . 1 1 11 11 GLN CB C 11 28.100 28.100 29.211 -1.111 19328 3700 1 14 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.685 -0.455 19328 3701 1 14 . 1 1 12 12 PRO C C 12 176.700 176.700 176.016 0.684 19328 3702 1 14 . 1 1 12 12 PRO CA C 12 62.700 62.700 62.319 0.381 19328 3703 1 14 . 1 1 12 12 PRO CB C 12 31.300 31.300 33.194 -1.895 19328 3704 1 14 . 1 1 13 13 GLU N N 13 120.800 120.800 118.011 2.789 19328 3705 1 14 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.420 -0.080 19328 3706 1 14 . 1 1 13 13 GLU C C 13 176.700 176.700 176.586 0.114 19328 3707 1 14 . 1 1 13 13 GLU CA C 13 55.600 55.600 55.830 -0.230 19328 3708 1 14 . 1 1 13 13 GLU CB C 13 32.100 32.100 29.795 2.305 19328 3709 1 14 . 1 1 14 14 GLY N N 14 109.000 109.000 108.796 0.204 19328 3710 1 14 . 1 1 14 14 GLY C C 14 174.100 174.100 174.371 -0.271 19328 3711 1 14 . 1 1 14 14 GLY CA C 14 44.800 44.800 45.380 -0.580 19328 3712 1 14 . 1 1 15 15 ASP N N 15 118.800 118.800 119.074 -0.274 19328 3713 1 14 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.428 0.252 19328 3714 1 14 . 1 1 15 15 ASP C C 15 177.000 177.000 177.463 -0.463 19328 3715 1 14 . 1 1 15 15 ASP CA C 15 55.500 55.500 55.718 -0.218 19328 3716 1 14 . 1 1 15 15 ASP CB C 15 41.400 41.400 40.839 0.561 19328 3717 1 14 . 1 1 16 16 GLU N N 16 120.100 120.100 116.088 4.012 19328 3718 1 14 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.346 0.214 19328 3719 1 14 . 1 1 16 16 GLU C C 16 175.400 175.400 175.108 0.292 19328 3720 1 14 . 1 1 16 16 GLU CA C 16 55.600 55.600 56.299 -0.699 19328 3721 1 14 . 1 1 16 16 GLU CB C 16 29.200 29.200 30.473 -1.273 19328 3722 1 14 . 1 1 17 17 VAL N N 17 120.100 120.100 122.350 -2.250 19328 3723 1 14 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.106 -0.146 19328 3724 1 14 . 1 1 17 17 VAL C C 17 174.500 174.500 175.562 -1.062 19328 3725 1 14 . 1 1 17 17 VAL CA C 17 61.600 61.600 62.699 -1.099 19328 3726 1 14 . 1 1 17 17 VAL CB C 17 33.200 33.200 32.402 0.798 19328 3727 1 14 . 1 1 18 18 ASP N N 18 122.700 122.700 128.175 -5.475 19328 3728 1 14 . 1 1 18 18 ASP HA H 18 5.130 5.130 4.815 0.315 19328 3729 1 14 . 1 1 18 18 ASP C C 18 176.900 176.900 175.416 1.484 19328 3730 1 14 . 1 1 18 18 ASP CA C 18 54.200 54.200 54.426 -0.226 19328 3731 1 14 . 1 1 18 18 ASP CB C 18 42.500 42.500 42.370 0.130 19328 3732 1 14 . 1 1 19 19 TRP N N 19 124.200 124.200 121.046 3.154 19328 3733 1 14 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.317 0.323 19328 3734 1 14 . 1 1 19 19 TRP C C 19 176.200 176.200 176.327 -0.127 19328 3735 1 14 . 1 1 19 19 TRP CA C 19 57.300 57.300 55.523 1.777 19328 3736 1 14 . 1 1 19 19 TRP CB C 19 34.100 34.100 31.224 2.876 19328 3737 1 14 . 1 1 20 20 VAL N N 20 121.500 121.500 123.132 -1.632 19328 3738 1 14 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.296 0.504 19328 3739 1 14 . 1 1 20 20 VAL C C 20 170.800 170.800 174.309 -3.509 19328 3740 1 14 . 1 1 20 20 VAL CA C 20 60.600 60.600 60.220 0.380 19328 3741 1 14 . 1 1 20 20 VAL CB C 20 35.300 35.300 34.640 0.660 19328 3742 1 14 . 1 1 21 21 GLN N N 21 131.300 131.300 127.990 3.310 19328 3743 1 14 . 1 1 21 21 GLN HA H 21 4.480 4.480 4.200 0.280 19328 3744 1 14 . 1 1 21 21 GLN C C 21 175.300 175.300 175.322 -0.022 19328 3745 1 14 . 1 1 21 21 GLN CA C 21 53.600 53.600 55.152 -1.552 19328 3746 1 14 . 1 1 21 21 GLN CB C 21 28.300 28.300 28.847 -0.547 19328 3747 1 14 . 1 1 22 22 CYS N N 22 127.400 127.400 129.685 -2.285 19328 3748 1 14 . 1 1 22 22 CYS HA H 22 4.500 4.500 4.710 -0.210 19328 3749 1 14 . 1 1 22 22 CYS C C 22 176.100 176.100 175.106 0.994 19328 3750 1 14 . 1 1 22 22 CYS CA C 22 60.600 60.600 58.139 2.462 19328 3751 1 14 . 1 1 22 22 CYS CB C 22 31.300 31.300 25.448 5.852 19328 3752 1 14 . 1 1 23 23 ASP N N 23 129.200 129.200 126.960 2.240 19328 3753 1 14 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.405 0.405 19328 3754 1 14 . 1 1 23 23 ASP C C 23 176.700 176.700 177.109 -0.409 19328 3755 1 14 . 1 1 23 23 ASP CA C 23 55.300 55.300 56.968 -1.668 19328 3756 1 14 . 1 1 23 23 ASP CB C 23 41.300 41.300 40.859 0.441 19328 3757 1 14 . 1 1 24 24 GLY N N 24 116.300 116.300 106.775 9.525 19328 3758 1 14 . 1 1 24 24 GLY C C 24 173.700 173.700 174.295 -0.595 19328 3759 1 14 . 1 1 24 24 GLY CA C 24 43.700 43.700 45.074 -1.374 19328 3760 1 14 . 1 1 25 25 SER N N 25 116.500 116.500 117.326 -0.826 19328 3761 1 14 . 1 1 25 25 SER HA H 25 4.180 4.180 4.166 0.014 19328 3762 1 14 . 1 1 25 25 SER C C 25 176.600 176.600 173.466 3.134 19328 3763 1 14 . 1 1 25 25 SER CA C 25 61.000 61.000 59.507 1.493 19328 3764 1 14 . 1 1 25 25 SER CB C 25 63.700 63.700 61.111 2.589 19328 3765 1 14 . 1 1 26 26 CYS N N 26 122.000 122.000 117.298 4.702 19328 3766 1 14 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.582 -0.182 19328 3767 1 14 . 1 1 26 26 CYS C C 26 176.500 176.500 174.071 2.429 19328 3768 1 14 . 1 1 26 26 CYS CA C 26 60.800 60.800 58.791 2.009 19328 3769 1 14 . 1 1 26 26 CYS CB C 26 29.600 29.600 29.581 0.019 19328 3770 1 14 . 1 1 27 27 ASN N N 27 117.000 117.000 117.896 -0.896 19328 3771 1 14 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.357 0.463 19328 3772 1 14 . 1 1 27 27 ASN C C 27 174.900 174.900 174.408 0.492 19328 3773 1 14 . 1 1 27 27 ASN CA C 27 54.800 54.800 54.584 0.216 19328 3774 1 14 . 1 1 27 27 ASN CB C 27 39.500 39.500 37.843 1.657 19328 3775 1 14 . 1 1 28 28 GLN N N 28 120.700 120.700 117.301 3.399 19328 3776 1 14 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.316 0.044 19328 3777 1 14 . 1 1 28 28 GLN C C 28 174.600 174.600 174.997 -0.397 19328 3778 1 14 . 1 1 28 28 GLN CA C 28 57.100 57.100 54.716 2.384 19328 3779 1 14 . 1 1 28 28 GLN CB C 28 31.500 31.500 29.682 1.818 19328 3780 1 14 . 1 1 29 29 TRP N N 29 119.600 119.600 122.400 -2.800 19328 3781 1 14 . 1 1 29 29 TRP HA H 29 4.950 4.950 4.540 0.410 19328 3782 1 14 . 1 1 29 29 TRP C C 29 175.400 175.400 175.636 -0.236 19328 3783 1 14 . 1 1 29 29 TRP CA C 29 57.100 57.100 57.097 0.002 19328 3784 1 14 . 1 1 29 29 TRP CB C 29 30.500 30.500 29.701 0.799 19328 3785 1 14 . 1 1 30 30 PHE N N 30 119.600 119.600 123.380 -3.780 19328 3786 1 14 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.313 0.517 19328 3787 1 14 . 1 1 30 30 PHE C C 30 176.600 176.600 175.061 1.539 19328 3788 1 14 . 1 1 30 30 PHE CA C 30 56.400 56.400 55.610 0.790 19328 3789 1 14 . 1 1 30 30 PHE CB C 30 43.000 43.000 41.580 1.420 19328 3790 1 14 . 1 1 31 31 HIS N N 31 123.600 123.600 120.257 3.343 19328 3791 1 14 . 1 1 31 31 HIS HA H 31 4.230 4.230 4.272 -0.042 19328 3792 1 14 . 1 1 31 31 HIS C C 31 177.400 177.400 176.365 1.035 19328 3793 1 14 . 1 1 31 31 HIS CA C 31 57.100 57.100 55.525 1.575 19328 3794 1 14 . 1 1 31 31 HIS CB C 31 29.800 29.800 30.024 -0.224 19328 3795 1 14 . 1 1 32 32 GLN N N 32 124.100 124.100 121.430 2.670 19328 3796 1 14 . 1 1 32 32 GLN HA H 32 3.520 3.520 3.970 -0.450 19328 3797 1 14 . 1 1 32 32 GLN C C 32 179.100 179.100 177.734 1.366 19328 3798 1 14 . 1 1 32 32 GLN CA C 32 60.600 60.600 60.125 0.475 19328 3799 1 14 . 1 1 32 32 GLN CB C 32 26.900 26.900 28.996 -2.096 19328 3800 1 14 . 1 1 33 33 VAL N N 33 112.800 112.800 113.155 -0.355 19328 3801 1 14 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.857 0.213 19328 3802 1 14 . 1 1 33 33 VAL C C 33 178.200 178.200 177.414 0.786 19328 3803 1 14 . 1 1 33 33 VAL CA C 33 64.400 64.400 65.599 -1.199 19328 3804 1 14 . 1 1 33 33 VAL CB C 33 31.600 31.600 30.892 0.708 19328 3805 1 14 . 1 1 34 34 CYS N N 34 120.900 120.900 118.579 2.321 19328 3806 1 14 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.298 -0.218 19328 3807 1 14 . 1 1 34 34 CYS C C 34 177.100 177.100 176.420 0.680 19328 3808 1 14 . 1 1 34 34 CYS CA C 34 62.500 62.500 61.557 0.943 19328 3809 1 14 . 1 1 34 34 CYS CB C 34 29.500 29.500 26.111 3.389 19328 3810 1 14 . 1 1 35 35 VAL N N 35 106.500 106.500 114.271 -7.771 19328 3811 1 14 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.145 0.415 19328 3812 1 14 . 1 1 35 35 VAL C C 35 176.200 176.200 176.281 -0.081 19328 3813 1 14 . 1 1 35 35 VAL CA C 35 60.100 60.100 61.677 -1.577 19328 3814 1 14 . 1 1 35 35 VAL CB C 35 31.800 31.800 30.944 0.856 19328 3815 1 14 . 1 1 36 36 GLY N N 36 109.800 109.800 108.154 1.646 19328 3816 1 14 . 1 1 36 36 GLY C C 36 174.600 174.600 174.552 0.048 19328 3817 1 14 . 1 1 36 36 GLY CA C 36 46.900 46.900 45.744 1.156 19328 3818 1 14 . 1 1 37 37 VAL N N 37 119.000 119.000 120.153 -1.153 19328 3819 1 14 . 1 1 37 37 VAL HA H 37 4.330 4.330 3.953 0.377 19328 3820 1 14 . 1 1 37 37 VAL C C 37 174.000 174.000 176.028 -2.028 19328 3821 1 14 . 1 1 37 37 VAL CA C 37 60.800 60.800 62.266 -1.466 19328 3822 1 14 . 1 1 37 37 VAL CB C 37 34.200 34.200 32.364 1.836 19328 3823 1 14 . 1 1 38 38 SER N N 38 122.000 122.000 124.241 -2.241 19328 3824 1 14 . 1 1 38 38 SER HA H 38 4.900 4.900 4.613 0.287 19328 3825 1 14 . 1 1 38 38 SER C C 38 174.100 174.100 174.140 -0.040 19328 3826 1 14 . 1 1 38 38 SER CA C 38 55.500 55.500 57.297 -1.797 19328 3827 1 14 . 1 1 38 38 SER CB C 38 63.800 63.800 63.234 0.566 19328 3828 1 14 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.139 0.221 19328 3829 1 14 . 1 1 39 39 PRO C C 39 179.300 179.300 178.207 1.093 19328 3830 1 14 . 1 1 39 39 PRO CA C 39 65.600 65.600 66.105 -0.505 19328 3831 1 14 . 1 1 39 39 PRO CB C 39 31.900 31.900 31.808 0.092 19328 3832 1 14 . 1 1 40 40 GLU N N 40 116.600 116.600 118.697 -2.097 19328 3833 1 14 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.122 0.038 19328 3834 1 14 . 1 1 40 40 GLU C C 40 178.500 178.500 178.677 -0.177 19328 3835 1 14 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.376 -0.276 19328 3836 1 14 . 1 1 40 40 GLU CB C 40 29.200 29.200 28.932 0.268 19328 3837 1 14 . 1 1 41 41 MET N N 41 119.300 119.300 117.813 1.487 19328 3838 1 14 . 1 1 41 41 MET HA H 41 4.260 4.260 4.291 -0.031 19328 3839 1 14 . 1 1 41 41 MET C C 41 178.200 178.200 178.904 -0.704 19328 3840 1 14 . 1 1 41 41 MET CA C 41 57.300 57.300 58.750 -1.450 19328 3841 1 14 . 1 1 41 41 MET CB C 41 33.400 33.400 32.595 0.805 19328 3842 1 14 . 1 1 42 42 ALA N N 42 121.900 121.900 120.233 1.667 19328 3843 1 14 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.269 -0.129 19328 3844 1 14 . 1 1 42 42 ALA C C 42 179.100 179.100 179.183 -0.083 19328 3845 1 14 . 1 1 42 42 ALA CA C 42 54.400 54.400 54.563 -0.163 19328 3846 1 14 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.290 0.311 19328 3847 1 14 . 1 1 43 43 GLU N N 43 115.100 115.100 117.724 -2.624 19328 3848 1 14 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.304 0.026 19328 3849 1 14 . 1 1 43 43 GLU C C 43 177.600 177.600 178.212 -0.612 19328 3850 1 14 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.303 -0.803 19328 3851 1 14 . 1 1 43 43 GLU CB C 43 30.200 30.200 30.017 0.183 19328 3852 1 14 . 1 1 44 44 LYS N N 44 117.600 117.600 117.890 -0.290 19328 3853 1 14 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.437 -0.107 19328 3854 1 14 . 1 1 44 44 LYS C C 44 176.200 176.200 176.973 -0.773 19328 3855 1 14 . 1 1 44 44 LYS CA C 44 57.500 57.500 57.164 0.336 19328 3856 1 14 . 1 1 44 44 LYS CB C 44 34.400 34.400 34.435 -0.035 19328 3857 1 14 . 1 1 45 45 GLU N N 45 118.200 118.200 116.622 1.578 19328 3858 1 14 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.450 0.180 19328 3859 1 14 . 1 1 45 45 GLU C C 45 175.400 175.400 173.971 1.429 19328 3860 1 14 . 1 1 45 45 GLU CA C 45 54.900 54.900 55.822 -0.922 19328 3861 1 14 . 1 1 45 45 GLU CB C 45 32.020 32.020 33.442 -1.422 19328 3862 1 14 . 1 1 46 46 ASP N N 46 121.600 121.600 120.161 1.439 19328 3863 1 14 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.113 0.667 19328 3864 1 14 . 1 1 46 46 ASP C C 46 175.900 175.900 173.841 2.059 19328 3865 1 14 . 1 1 46 46 ASP CA C 46 54.200 54.200 55.186 -0.986 19328 3866 1 14 . 1 1 46 46 ASP CB C 46 41.000 41.000 40.721 0.279 19328 3867 1 14 . 1 1 47 47 TYR N N 47 124.600 124.600 116.122 8.478 19328 3868 1 14 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.711 -0.161 19328 3869 1 14 . 1 1 47 47 TYR C C 47 172.200 172.200 174.359 -2.159 19328 3870 1 14 . 1 1 47 47 TYR CA C 47 58.000 58.000 55.987 2.013 19328 3871 1 14 . 1 1 47 47 TYR CB C 47 39.800 39.800 38.446 1.355 19328 3872 1 14 . 1 1 48 48 ILE N N 48 128.000 128.000 123.537 4.463 19328 3873 1 14 . 1 1 48 48 ILE HA H 48 4.470 4.470 4.181 0.289 19328 3874 1 14 . 1 1 48 48 ILE C C 48 174.800 174.800 176.217 -1.417 19328 3875 1 14 . 1 1 48 48 ILE CA C 48 58.600 58.600 60.892 -2.292 19328 3876 1 14 . 1 1 48 48 ILE CB C 48 38.300 38.300 37.810 0.489 19328 3877 1 14 . 1 1 49 49 CYS N N 49 130.100 130.100 127.159 2.941 19328 3878 1 14 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.305 -0.145 19328 3879 1 14 . 1 1 49 49 CYS C C 49 176.400 176.400 176.484 -0.084 19328 3880 1 14 . 1 1 49 49 CYS CA C 49 58.500 58.500 57.972 0.528 19328 3881 1 14 . 1 1 49 49 CYS CB C 49 31.800 31.800 27.588 4.212 19328 3882 1 14 . 1 1 50 50 VAL N N 50 116.100 116.100 124.747 -8.647 19328 3883 1 14 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.591 0.209 19328 3884 1 14 . 1 1 50 50 VAL C C 50 177.900 177.900 177.988 -0.088 19328 3885 1 14 . 1 1 50 50 VAL CA C 50 65.300 65.300 66.575 -1.275 19328 3886 1 14 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.569 0.231 19328 3887 1 14 . 1 1 51 51 ARG N N 51 121.800 121.800 119.575 2.225 19328 3888 1 14 . 1 1 51 51 ARG HA H 51 4.240 4.240 3.942 0.298 19328 3889 1 14 . 1 1 51 51 ARG C C 51 178.900 178.900 178.586 0.314 19328 3890 1 14 . 1 1 51 51 ARG CA C 51 59.000 59.000 59.313 -0.313 19328 3891 1 14 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.714 0.586 19328 3892 1 14 . 1 1 52 52 CYS N N 52 123.700 123.700 117.111 6.589 19328 3893 1 14 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.419 -0.399 19328 3894 1 14 . 1 1 52 52 CYS C C 52 176.500 176.500 177.030 -0.530 19328 3895 1 14 . 1 1 52 52 CYS CA C 52 63.400 63.400 61.311 2.089 19328 3896 1 14 . 1 1 52 52 CYS CB C 52 30.100 30.100 25.890 4.210 19328 3897 1 14 . 1 1 53 53 THR N N 53 115.800 115.800 117.708 -1.908 19328 3898 1 14 . 1 1 53 53 THR HA H 53 3.860 3.860 3.973 -0.113 19328 3899 1 14 . 1 1 53 53 THR C C 53 174.900 174.900 175.601 -0.701 19328 3900 1 14 . 1 1 53 53 THR CA C 53 65.200 65.200 66.131 -0.931 19328 3901 1 14 . 1 1 53 53 THR CB C 53 69.400 69.400 68.763 0.637 19328 3902 1 14 . 1 1 54 54 VAL N N 54 120.900 120.900 119.136 1.764 19328 3903 1 14 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.846 0.174 19328 3904 1 14 . 1 1 54 54 VAL C C 54 176.600 176.600 177.027 -0.427 19328 3905 1 14 . 1 1 54 54 VAL CA C 54 63.200 63.200 64.112 -0.912 19328 3906 1 14 . 1 1 54 54 VAL CB C 54 32.400 32.400 31.926 0.474 19328 3907 1 14 . 1 1 55 55 LYS N N 55 123.100 123.100 118.829 4.271 19328 3908 1 14 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.117 0.093 19328 3909 1 14 . 1 1 55 55 LYS C C 55 176.700 176.700 176.879 -0.179 19328 3910 1 14 . 1 1 55 55 LYS CA C 55 57.200 57.200 58.569 -1.369 19328 3911 1 14 . 1 1 55 55 LYS CB C 55 33.100 33.100 32.761 0.339 19328 3912 1 14 . 1 1 56 56 ASP N N 56 119.600 119.600 115.617 3.983 19328 3913 1 14 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.560 0.020 19328 3914 1 14 . 1 1 56 56 ASP C C 56 175.600 175.600 174.875 0.725 19328 3915 1 14 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.542 -0.242 19328 3916 1 14 . 1 1 56 56 ASP CB C 56 40.800 40.800 42.959 -2.159 19328 3917 1 14 . 1 1 57 57 ALA N N 57 124.700 124.700 122.884 1.816 19328 3918 1 14 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.138 0.402 19328 3919 1 14 . 1 1 57 57 ALA CA C 57 51.100 51.100 52.130 -1.030 19328 3920 1 14 . 1 1 57 57 ALA CB C 57 18.200 18.200 17.561 0.639 19328 3921 1 14 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.540 -0.090 19328 3922 1 14 . 1 1 58 58 PRO C C 58 177.100 177.100 176.463 0.637 19328 3923 1 14 . 1 1 58 58 PRO CA C 58 63.500 63.500 63.255 0.245 19328 3924 1 14 . 1 1 58 58 PRO CB C 58 31.900 31.900 30.617 1.283 19328 3925 1 14 . 1 1 59 59 SER N N 59 115.500 115.500 118.190 -2.690 19328 3926 1 14 . 1 1 59 59 SER HA H 59 4.430 4.430 4.457 -0.027 19328 3927 1 14 . 1 1 59 59 SER C C 59 174.500 174.500 174.441 0.059 19328 3928 1 14 . 1 1 59 59 SER CA C 59 58.300 58.300 58.461 -0.161 19328 3929 1 14 . 1 1 59 59 SER CB C 59 63.700 63.700 63.640 0.060 19328 3930 1 14 . 1 1 60 60 ARG N N 60 123.600 123.600 122.393 1.207 19328 3931 1 14 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.300 0.090 19328 3932 1 14 . 1 1 60 60 ARG C C 60 175.300 175.300 175.838 -0.538 19328 3933 1 14 . 1 1 60 60 ARG CA C 60 55.900 55.900 56.291 -0.391 19328 3934 1 14 . 1 1 60 60 ARG CB C 60 30.800 30.800 31.159 -0.359 19328 3935 1 15 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.525 0.295 19328 3936 1 15 . 1 1 2 2 HIS C C 2 174.000 174.000 174.151 -0.151 19328 3937 1 15 . 1 1 2 2 HIS CA C 2 55.800 55.800 55.825 -0.025 19328 3938 1 15 . 1 1 2 2 HIS CB C 2 30.400 30.400 28.393 2.007 19328 3939 1 15 . 1 1 3 3 MET N N 3 121.100 121.100 116.098 5.002 19328 3940 1 15 . 1 1 3 3 MET HA H 3 5.220 5.220 4.117 1.103 19328 3941 1 15 . 1 1 3 3 MET C C 3 176.100 176.100 175.291 0.809 19328 3942 1 15 . 1 1 3 3 MET CA C 3 55.800 55.800 55.921 -0.121 19328 3943 1 15 . 1 1 3 3 MET CB C 3 34.500 34.500 30.661 3.839 19328 3944 1 15 . 1 1 4 4 CYS N N 4 129.800 129.800 113.105 16.695 19328 3945 1 15 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.203 1.027 19328 3946 1 15 . 1 1 4 4 CYS CA C 4 57.000 57.000 56.367 0.633 19328 3947 1 15 . 1 1 4 4 CYS CB C 4 30.200 30.200 26.364 3.836 19328 3948 1 15 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.293 0.487 19328 3949 1 15 . 1 1 5 5 PRO C C 5 176.800 176.800 175.820 0.980 19328 3950 1 15 . 1 1 5 5 PRO CA C 5 63.300 63.300 63.450 -0.150 19328 3951 1 15 . 1 1 5 5 PRO CB C 5 30.100 30.100 30.785 -0.685 19328 3952 1 15 . 1 1 6 6 ALA N N 6 125.200 125.200 125.987 -0.787 19328 3953 1 15 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.426 0.054 19328 3954 1 15 . 1 1 6 6 ALA C C 6 176.800 176.800 177.589 -0.789 19328 3955 1 15 . 1 1 6 6 ALA CA C 6 53.300 53.300 49.846 3.454 19328 3956 1 15 . 1 1 6 6 ALA CB C 6 20.200 20.200 21.671 -1.471 19328 3957 1 15 . 1 1 7 7 VAL N N 7 121.500 121.500 117.888 3.612 19328 3958 1 15 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.917 -0.187 19328 3959 1 15 . 1 1 7 7 VAL C C 7 177.600 177.600 176.699 0.901 19328 3960 1 15 . 1 1 7 7 VAL CA C 7 66.300 66.300 64.363 1.937 19328 3961 1 15 . 1 1 7 7 VAL CB C 7 31.300 31.300 31.773 -0.473 19328 3962 1 15 . 1 1 8 8 SER N N 8 113.200 113.200 112.661 0.539 19328 3963 1 15 . 1 1 8 8 SER HA H 8 4.550 4.550 4.556 -0.006 19328 3964 1 15 . 1 1 8 8 SER C C 8 172.900 172.900 173.098 -0.198 19328 3965 1 15 . 1 1 8 8 SER CA C 8 56.700 56.700 57.270 -0.570 19328 3966 1 15 . 1 1 8 8 SER CB C 8 63.300 63.300 63.230 0.070 19328 3967 1 15 . 1 1 9 9 CYS N N 9 126.000 126.000 125.942 0.058 19328 3968 1 15 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.642 0.618 19328 3969 1 15 . 1 1 9 9 CYS C C 9 177.300 177.300 174.801 2.499 19328 3970 1 15 . 1 1 9 9 CYS CA C 9 58.200 58.200 57.927 0.273 19328 3971 1 15 . 1 1 9 9 CYS CB C 9 29.600 29.600 26.095 3.505 19328 3972 1 15 . 1 1 10 10 LEU N N 10 135.700 135.700 127.843 7.857 19328 3973 1 15 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.522 -0.342 19328 3974 1 15 . 1 1 10 10 LEU C C 10 176.300 176.300 176.017 0.283 19328 3975 1 15 . 1 1 10 10 LEU CA C 10 55.900 55.900 54.785 1.115 19328 3976 1 15 . 1 1 10 10 LEU CB C 10 41.500 41.500 42.276 -0.777 19328 3977 1 15 . 1 1 11 11 GLN N N 11 120.100 120.100 120.382 -0.282 19328 3978 1 15 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.615 -0.745 19328 3979 1 15 . 1 1 11 11 GLN CA C 11 55.400 55.400 53.379 2.021 19328 3980 1 15 . 1 1 11 11 GLN CB C 11 28.100 28.100 28.424 -0.324 19328 3981 1 15 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.367 -0.137 19328 3982 1 15 . 1 1 12 12 PRO C C 12 176.700 176.700 176.904 -0.204 19328 3983 1 15 . 1 1 12 12 PRO CA C 12 62.700 62.700 62.926 -0.226 19328 3984 1 15 . 1 1 12 12 PRO CB C 12 31.300 31.300 31.785 -0.485 19328 3985 1 15 . 1 1 13 13 GLU N N 13 120.800 120.800 125.207 -4.407 19328 3986 1 15 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.346 -0.006 19328 3987 1 15 . 1 1 13 13 GLU C C 13 176.700 176.700 175.940 0.760 19328 3988 1 15 . 1 1 13 13 GLU CA C 13 55.600 55.600 55.706 -0.106 19328 3989 1 15 . 1 1 13 13 GLU CB C 13 32.100 32.100 27.743 4.357 19328 3990 1 15 . 1 1 14 14 GLY N N 14 109.000 109.000 109.564 -0.564 19328 3991 1 15 . 1 1 14 14 GLY C C 14 174.100 174.100 172.803 1.297 19328 3992 1 15 . 1 1 14 14 GLY CA C 14 44.800 44.800 44.704 0.096 19328 3993 1 15 . 1 1 15 15 ASP N N 15 118.800 118.800 121.362 -2.562 19328 3994 1 15 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.639 0.041 19328 3995 1 15 . 1 1 15 15 ASP C C 15 177.000 177.000 176.764 0.236 19328 3996 1 15 . 1 1 15 15 ASP CA C 15 55.500 55.500 54.256 1.244 19328 3997 1 15 . 1 1 15 15 ASP CB C 15 41.400 41.400 40.980 0.420 19328 3998 1 15 . 1 1 16 16 GLU N N 16 120.100 120.100 117.063 3.037 19328 3999 1 15 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.119 0.441 19328 4000 1 15 . 1 1 16 16 GLU C C 16 175.400 175.400 177.041 -1.641 19328 4001 1 15 . 1 1 16 16 GLU CA C 16 55.600 55.600 56.645 -1.045 19328 4002 1 15 . 1 1 16 16 GLU CB C 16 29.200 29.200 29.372 -0.172 19328 4003 1 15 . 1 1 17 17 VAL N N 17 120.100 120.100 117.969 2.131 19328 4004 1 15 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.160 -0.200 19328 4005 1 15 . 1 1 17 17 VAL C C 17 174.500 174.500 175.385 -0.885 19328 4006 1 15 . 1 1 17 17 VAL CA C 17 61.600 61.600 61.841 -0.241 19328 4007 1 15 . 1 1 17 17 VAL CB C 17 33.200 33.200 32.628 0.572 19328 4008 1 15 . 1 1 18 18 ASP N N 18 122.700 122.700 125.131 -2.431 19328 4009 1 15 . 1 1 18 18 ASP HA H 18 5.130 5.130 4.613 0.517 19328 4010 1 15 . 1 1 18 18 ASP C C 18 176.900 176.900 175.645 1.255 19328 4011 1 15 . 1 1 18 18 ASP CA C 18 54.200 54.200 53.537 0.663 19328 4012 1 15 . 1 1 18 18 ASP CB C 18 42.500 42.500 42.934 -0.434 19328 4013 1 15 . 1 1 19 19 TRP N N 19 124.200 124.200 120.922 3.278 19328 4014 1 15 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.399 0.241 19328 4015 1 15 . 1 1 19 19 TRP C C 19 176.200 176.200 176.326 -0.126 19328 4016 1 15 . 1 1 19 19 TRP CA C 19 57.300 57.300 54.755 2.545 19328 4017 1 15 . 1 1 19 19 TRP CB C 19 34.100 34.100 31.485 2.615 19328 4018 1 15 . 1 1 20 20 VAL N N 20 121.500 121.500 120.337 1.163 19328 4019 1 15 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.514 0.286 19328 4020 1 15 . 1 1 20 20 VAL C C 20 170.800 170.800 174.372 -3.572 19328 4021 1 15 . 1 1 20 20 VAL CA C 20 60.600 60.600 60.590 0.010 19328 4022 1 15 . 1 1 20 20 VAL CB C 20 35.300 35.300 36.184 -0.884 19328 4023 1 15 . 1 1 21 21 GLN N N 21 131.300 131.300 127.349 3.951 19328 4024 1 15 . 1 1 21 21 GLN HA H 21 4.480 4.480 4.424 0.056 19328 4025 1 15 . 1 1 21 21 GLN C C 21 175.300 175.300 175.259 0.041 19328 4026 1 15 . 1 1 21 21 GLN CA C 21 53.600 53.600 55.980 -2.381 19328 4027 1 15 . 1 1 21 21 GLN CB C 21 28.300 28.300 29.965 -1.665 19328 4028 1 15 . 1 1 22 22 CYS N N 22 127.400 127.400 126.227 1.173 19328 4029 1 15 . 1 1 22 22 CYS HA H 22 4.500 4.500 4.483 0.017 19328 4030 1 15 . 1 1 22 22 CYS C C 22 176.100 176.100 176.013 0.087 19328 4031 1 15 . 1 1 22 22 CYS CA C 22 60.600 60.600 60.212 0.389 19328 4032 1 15 . 1 1 22 22 CYS CB C 22 31.300 31.300 28.718 2.582 19328 4033 1 15 . 1 1 23 23 ASP N N 23 129.200 129.200 125.617 3.583 19328 4034 1 15 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.638 0.172 19328 4035 1 15 . 1 1 23 23 ASP C C 23 176.700 176.700 176.863 -0.163 19328 4036 1 15 . 1 1 23 23 ASP CA C 23 55.300 55.300 55.653 -0.353 19328 4037 1 15 . 1 1 23 23 ASP CB C 23 41.300 41.300 41.137 0.163 19328 4038 1 15 . 1 1 24 24 GLY N N 24 116.300 116.300 109.129 7.171 19328 4039 1 15 . 1 1 24 24 GLY C C 24 173.700 173.700 174.364 -0.664 19328 4040 1 15 . 1 1 24 24 GLY CA C 24 43.700 43.700 44.722 -1.022 19328 4041 1 15 . 1 1 25 25 SER N N 25 116.500 116.500 114.180 2.320 19328 4042 1 15 . 1 1 25 25 SER HA H 25 4.180 4.180 4.841 -0.661 19328 4043 1 15 . 1 1 25 25 SER C C 25 176.600 176.600 174.349 2.251 19328 4044 1 15 . 1 1 25 25 SER CA C 25 61.000 61.000 57.706 3.294 19328 4045 1 15 . 1 1 25 25 SER CB C 25 63.700 63.700 62.163 1.537 19328 4046 1 15 . 1 1 26 26 CYS N N 26 122.000 122.000 124.299 -2.299 19328 4047 1 15 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.742 -0.342 19328 4048 1 15 . 1 1 26 26 CYS C C 26 176.500 176.500 175.693 0.807 19328 4049 1 15 . 1 1 26 26 CYS CA C 26 60.800 60.800 58.233 2.567 19328 4050 1 15 . 1 1 26 26 CYS CB C 26 29.600 29.600 27.716 1.884 19328 4051 1 15 . 1 1 27 27 ASN N N 27 117.000 117.000 115.244 1.756 19328 4052 1 15 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.446 0.374 19328 4053 1 15 . 1 1 27 27 ASN C C 27 174.900 174.900 174.206 0.694 19328 4054 1 15 . 1 1 27 27 ASN CA C 27 54.800 54.800 54.873 -0.073 19328 4055 1 15 . 1 1 27 27 ASN CB C 27 39.500 39.500 37.454 2.046 19328 4056 1 15 . 1 1 28 28 GLN N N 28 120.700 120.700 119.151 1.549 19328 4057 1 15 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.133 0.227 19328 4058 1 15 . 1 1 28 28 GLN C C 28 174.600 174.600 175.212 -0.612 19328 4059 1 15 . 1 1 28 28 GLN CA C 28 57.100 57.100 54.827 2.273 19328 4060 1 15 . 1 1 28 28 GLN CB C 28 31.500 31.500 28.994 2.506 19328 4061 1 15 . 1 1 29 29 TRP N N 29 119.600 119.600 119.391 0.209 19328 4062 1 15 . 1 1 29 29 TRP HA H 29 4.950 4.950 4.766 0.184 19328 4063 1 15 . 1 1 29 29 TRP C C 29 175.400 175.400 174.202 1.198 19328 4064 1 15 . 1 1 29 29 TRP CA C 29 57.100 57.100 55.272 1.828 19328 4065 1 15 . 1 1 29 29 TRP CB C 29 30.500 30.500 30.686 -0.186 19328 4066 1 15 . 1 1 30 30 PHE N N 30 119.600 119.600 118.881 0.719 19328 4067 1 15 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.367 0.463 19328 4068 1 15 . 1 1 30 30 PHE C C 30 176.600 176.600 174.666 1.934 19328 4069 1 15 . 1 1 30 30 PHE CA C 30 56.400 56.400 55.764 0.636 19328 4070 1 15 . 1 1 30 30 PHE CB C 30 43.000 43.000 42.252 0.748 19328 4071 1 15 . 1 1 31 31 HIS N N 31 123.600 123.600 118.509 5.091 19328 4072 1 15 . 1 1 31 31 HIS HA H 31 4.230 4.230 5.112 -0.882 19328 4073 1 15 . 1 1 31 31 HIS C C 31 177.400 177.400 176.807 0.593 19328 4074 1 15 . 1 1 31 31 HIS CA C 31 57.100 57.100 56.236 0.864 19328 4075 1 15 . 1 1 31 31 HIS CB C 31 29.800 29.800 29.910 -0.110 19328 4076 1 15 . 1 1 32 32 GLN N N 32 124.100 124.100 121.823 2.277 19328 4077 1 15 . 1 1 32 32 GLN HA H 32 3.520 3.520 3.993 -0.473 19328 4078 1 15 . 1 1 32 32 GLN C C 32 179.100 179.100 178.062 1.038 19328 4079 1 15 . 1 1 32 32 GLN CA C 32 60.600 60.600 60.031 0.569 19328 4080 1 15 . 1 1 32 32 GLN CB C 32 26.900 26.900 28.917 -2.017 19328 4081 1 15 . 1 1 33 33 VAL N N 33 112.800 112.800 114.052 -1.252 19328 4082 1 15 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.890 0.180 19328 4083 1 15 . 1 1 33 33 VAL C C 33 178.200 178.200 177.369 0.831 19328 4084 1 15 . 1 1 33 33 VAL CA C 33 64.400 64.400 65.073 -0.673 19328 4085 1 15 . 1 1 33 33 VAL CB C 33 31.600 31.600 30.909 0.691 19328 4086 1 15 . 1 1 34 34 CYS N N 34 120.900 120.900 117.027 3.873 19328 4087 1 15 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.338 -0.258 19328 4088 1 15 . 1 1 34 34 CYS C C 34 177.100 177.100 176.024 1.076 19328 4089 1 15 . 1 1 34 34 CYS CA C 34 62.500 62.500 61.731 0.769 19328 4090 1 15 . 1 1 34 34 CYS CB C 34 29.500 29.500 26.157 3.343 19328 4091 1 15 . 1 1 35 35 VAL N N 35 106.500 106.500 112.839 -6.339 19328 4092 1 15 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.181 0.379 19328 4093 1 15 . 1 1 35 35 VAL C C 35 176.200 176.200 176.300 -0.100 19328 4094 1 15 . 1 1 35 35 VAL CA C 35 60.100 60.100 61.495 -1.395 19328 4095 1 15 . 1 1 35 35 VAL CB C 35 31.800 31.800 32.151 -0.351 19328 4096 1 15 . 1 1 36 36 GLY N N 36 109.800 109.800 108.412 1.388 19328 4097 1 15 . 1 1 36 36 GLY C C 36 174.600 174.600 174.549 0.051 19328 4098 1 15 . 1 1 36 36 GLY CA C 36 46.900 46.900 45.461 1.439 19328 4099 1 15 . 1 1 37 37 VAL N N 37 119.000 119.000 119.893 -0.893 19328 4100 1 15 . 1 1 37 37 VAL HA H 37 4.330 4.330 4.076 0.254 19328 4101 1 15 . 1 1 37 37 VAL C C 37 174.000 174.000 175.545 -1.545 19328 4102 1 15 . 1 1 37 37 VAL CA C 37 60.800 60.800 61.972 -1.172 19328 4103 1 15 . 1 1 37 37 VAL CB C 37 34.200 34.200 32.791 1.409 19328 4104 1 15 . 1 1 38 38 SER N N 38 122.000 122.000 122.447 -0.447 19328 4105 1 15 . 1 1 38 38 SER HA H 38 4.900 4.900 4.904 -0.004 19328 4106 1 15 . 1 1 38 38 SER C C 38 174.100 174.100 173.871 0.229 19328 4107 1 15 . 1 1 38 38 SER CA C 38 55.500 55.500 56.075 -0.575 19328 4108 1 15 . 1 1 38 38 SER CB C 38 63.800 63.800 63.216 0.584 19328 4109 1 15 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.410 -0.050 19328 4110 1 15 . 1 1 39 39 PRO C C 39 179.300 179.300 178.839 0.461 19328 4111 1 15 . 1 1 39 39 PRO CA C 39 65.600 65.600 65.930 -0.330 19328 4112 1 15 . 1 1 39 39 PRO CB C 39 31.900 31.900 32.012 -0.112 19328 4113 1 15 . 1 1 40 40 GLU N N 40 116.600 116.600 116.221 0.379 19328 4114 1 15 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.229 -0.069 19328 4115 1 15 . 1 1 40 40 GLU C C 40 178.500 178.500 179.335 -0.835 19328 4116 1 15 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.496 -0.396 19328 4117 1 15 . 1 1 40 40 GLU CB C 40 29.200 29.200 29.242 -0.042 19328 4118 1 15 . 1 1 41 41 MET N N 41 119.300 119.300 118.131 1.169 19328 4119 1 15 . 1 1 41 41 MET HA H 41 4.260 4.260 4.472 -0.212 19328 4120 1 15 . 1 1 41 41 MET C C 41 178.200 178.200 178.630 -0.430 19328 4121 1 15 . 1 1 41 41 MET CA C 41 57.300 57.300 58.668 -1.368 19328 4122 1 15 . 1 1 41 41 MET CB C 41 33.400 33.400 32.841 0.559 19328 4123 1 15 . 1 1 42 42 ALA N N 42 121.900 121.900 122.056 -0.156 19328 4124 1 15 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.497 -0.357 19328 4125 1 15 . 1 1 42 42 ALA C C 42 179.100 179.100 178.928 0.172 19328 4126 1 15 . 1 1 42 42 ALA CA C 42 54.400 54.400 54.599 -0.199 19328 4127 1 15 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.686 -0.086 19328 4128 1 15 . 1 1 43 43 GLU N N 43 115.100 115.100 117.726 -2.626 19328 4129 1 15 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.260 0.070 19328 4130 1 15 . 1 1 43 43 GLU C C 43 177.600 177.600 178.807 -1.207 19328 4131 1 15 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.486 -0.986 19328 4132 1 15 . 1 1 43 43 GLU CB C 43 30.200 30.200 30.079 0.121 19328 4133 1 15 . 1 1 44 44 LYS N N 44 117.600 117.600 116.887 0.713 19328 4134 1 15 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.440 -0.110 19328 4135 1 15 . 1 1 44 44 LYS C C 44 176.200 176.200 176.438 -0.238 19328 4136 1 15 . 1 1 44 44 LYS CA C 44 57.500 57.500 56.776 0.724 19328 4137 1 15 . 1 1 44 44 LYS CB C 44 34.400 34.400 33.304 1.096 19328 4138 1 15 . 1 1 45 45 GLU N N 45 118.200 118.200 119.172 -0.972 19328 4139 1 15 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.570 0.060 19328 4140 1 15 . 1 1 45 45 GLU C C 45 175.400 175.400 174.680 0.720 19328 4141 1 15 . 1 1 45 45 GLU CA C 45 54.900 54.900 54.575 0.325 19328 4142 1 15 . 1 1 45 45 GLU CB C 45 32.020 32.020 32.642 -0.622 19328 4143 1 15 . 1 1 46 46 ASP N N 46 121.600 121.600 120.419 1.181 19328 4144 1 15 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.441 0.339 19328 4145 1 15 . 1 1 46 46 ASP C C 46 175.900 175.900 176.609 -0.709 19328 4146 1 15 . 1 1 46 46 ASP CA C 46 54.200 54.200 54.216 -0.016 19328 4147 1 15 . 1 1 46 46 ASP CB C 46 41.000 41.000 41.004 -0.004 19328 4148 1 15 . 1 1 47 47 TYR N N 47 124.600 124.600 119.809 4.791 19328 4149 1 15 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.736 -0.186 19328 4150 1 15 . 1 1 47 47 TYR C C 47 172.200 172.200 174.787 -2.587 19328 4151 1 15 . 1 1 47 47 TYR CA C 47 58.000 58.000 55.017 2.983 19328 4152 1 15 . 1 1 47 47 TYR CB C 47 39.800 39.800 36.402 3.398 19328 4153 1 15 . 1 1 48 48 ILE N N 48 128.000 128.000 123.533 4.467 19328 4154 1 15 . 1 1 48 48 ILE HA H 48 4.470 4.470 4.485 -0.015 19328 4155 1 15 . 1 1 48 48 ILE C C 48 174.800 174.800 176.812 -2.012 19328 4156 1 15 . 1 1 48 48 ILE CA C 48 58.600 58.600 61.133 -2.533 19328 4157 1 15 . 1 1 48 48 ILE CB C 48 38.300 38.300 36.461 1.839 19328 4158 1 15 . 1 1 49 49 CYS N N 49 130.100 130.100 125.833 4.267 19328 4159 1 15 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.480 -0.320 19328 4160 1 15 . 1 1 49 49 CYS C C 49 176.400 176.400 175.986 0.414 19328 4161 1 15 . 1 1 49 49 CYS CA C 49 58.500 58.500 58.267 0.233 19328 4162 1 15 . 1 1 49 49 CYS CB C 49 31.800 31.800 29.189 2.611 19328 4163 1 15 . 1 1 50 50 VAL N N 50 116.100 116.100 120.961 -4.861 19328 4164 1 15 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.645 0.155 19328 4165 1 15 . 1 1 50 50 VAL C C 50 177.900 177.900 177.933 -0.033 19328 4166 1 15 . 1 1 50 50 VAL CA C 50 65.300 65.300 67.390 -2.090 19328 4167 1 15 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.704 0.096 19328 4168 1 15 . 1 1 51 51 ARG N N 51 121.800 121.800 119.620 2.180 19328 4169 1 15 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.070 0.170 19328 4170 1 15 . 1 1 51 51 ARG C C 51 178.900 178.900 178.840 0.060 19328 4171 1 15 . 1 1 51 51 ARG CA C 51 59.000 59.000 59.058 -0.058 19328 4172 1 15 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.198 1.101 19328 4173 1 15 . 1 1 52 52 CYS N N 52 123.700 123.700 118.365 5.335 19328 4174 1 15 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.959 -0.939 19328 4175 1 15 . 1 1 52 52 CYS C C 52 176.500 176.500 177.480 -0.980 19328 4176 1 15 . 1 1 52 52 CYS CA C 52 63.400 63.400 61.167 2.233 19328 4177 1 15 . 1 1 52 52 CYS CB C 52 30.100 30.100 26.232 3.868 19328 4178 1 15 . 1 1 53 53 THR N N 53 115.800 115.800 116.567 -0.767 19328 4179 1 15 . 1 1 53 53 THR HA H 53 3.860 3.860 4.126 -0.266 19328 4180 1 15 . 1 1 53 53 THR C C 53 174.900 174.900 175.691 -0.791 19328 4181 1 15 . 1 1 53 53 THR CA C 53 65.200 65.200 65.991 -0.791 19328 4182 1 15 . 1 1 53 53 THR CB C 53 69.400 69.400 68.645 0.755 19328 4183 1 15 . 1 1 54 54 VAL N N 54 120.900 120.900 119.414 1.486 19328 4184 1 15 . 1 1 54 54 VAL HA H 54 4.020 4.020 4.045 -0.025 19328 4185 1 15 . 1 1 54 54 VAL C C 54 176.600 176.600 177.741 -1.141 19328 4186 1 15 . 1 1 54 54 VAL CA C 54 63.200 63.200 64.313 -1.113 19328 4187 1 15 . 1 1 54 54 VAL CB C 54 32.400 32.400 32.278 0.122 19328 4188 1 15 . 1 1 55 55 LYS N N 55 123.100 123.100 118.500 4.600 19328 4189 1 15 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.176 0.034 19328 4190 1 15 . 1 1 55 55 LYS C C 55 176.700 176.700 176.692 0.008 19328 4191 1 15 . 1 1 55 55 LYS CA C 55 57.200 57.200 57.965 -0.765 19328 4192 1 15 . 1 1 55 55 LYS CB C 55 33.100 33.100 32.672 0.428 19328 4193 1 15 . 1 1 56 56 ASP N N 56 119.600 119.600 119.367 0.233 19328 4194 1 15 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.686 -0.106 19328 4195 1 15 . 1 1 56 56 ASP C C 56 175.600 175.600 175.120 0.480 19328 4196 1 15 . 1 1 56 56 ASP CA C 56 54.300 54.300 53.932 0.368 19328 4197 1 15 . 1 1 56 56 ASP CB C 56 40.800 40.800 40.363 0.437 19328 4198 1 15 . 1 1 57 57 ALA N N 57 124.700 124.700 122.700 2.000 19328 4199 1 15 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.690 -0.150 19328 4200 1 15 . 1 1 57 57 ALA CA C 57 51.100 51.100 50.001 1.099 19328 4201 1 15 . 1 1 57 57 ALA CB C 57 18.200 18.200 19.677 -1.477 19328 4202 1 15 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.360 0.090 19328 4203 1 15 . 1 1 58 58 PRO C C 58 177.100 177.100 176.179 0.921 19328 4204 1 15 . 1 1 58 58 PRO CA C 58 63.500 63.500 63.842 -0.342 19328 4205 1 15 . 1 1 58 58 PRO CB C 58 31.900 31.900 31.105 0.795 19328 4206 1 15 . 1 1 59 59 SER N N 59 115.500 115.500 120.110 -4.610 19328 4207 1 15 . 1 1 59 59 SER HA H 59 4.430 4.430 4.658 -0.228 19328 4208 1 15 . 1 1 59 59 SER C C 59 174.500 174.500 173.324 1.176 19328 4209 1 15 . 1 1 59 59 SER CA C 59 58.300 58.300 57.811 0.489 19328 4210 1 15 . 1 1 59 59 SER CB C 59 63.700 63.700 65.537 -1.837 19328 4211 1 15 . 1 1 60 60 ARG N N 60 123.600 123.600 123.812 -0.212 19328 4212 1 15 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.466 -0.076 19328 4213 1 15 . 1 1 60 60 ARG C C 60 175.300 175.300 175.746 -0.446 19328 4214 1 15 . 1 1 60 60 ARG CA C 60 55.900 55.900 55.789 0.111 19328 4215 1 15 . 1 1 60 60 ARG CB C 60 30.800 30.800 29.806 0.994 19328 4216 1 16 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.516 0.304 19328 4217 1 16 . 1 1 2 2 HIS C C 2 174.000 174.000 177.038 -3.038 19328 4218 1 16 . 1 1 2 2 HIS CA C 2 55.800 55.800 58.354 -2.554 19328 4219 1 16 . 1 1 2 2 HIS CB C 2 30.400 30.400 30.154 0.246 19328 4220 1 16 . 1 1 3 3 MET N N 3 121.100 121.100 120.849 0.251 19328 4221 1 16 . 1 1 3 3 MET HA H 3 5.220 5.220 3.826 1.394 19328 4222 1 16 . 1 1 3 3 MET C C 3 176.100 176.100 174.308 1.792 19328 4223 1 16 . 1 1 3 3 MET CA C 3 55.800 55.800 57.569 -1.769 19328 4224 1 16 . 1 1 3 3 MET CB C 3 34.500 34.500 31.285 3.215 19328 4225 1 16 . 1 1 4 4 CYS N N 4 129.800 129.800 118.644 11.156 19328 4226 1 16 . 1 1 4 4 CYS HA H 4 5.230 5.230 5.217 0.013 19328 4227 1 16 . 1 1 4 4 CYS CA C 4 57.000 57.000 56.632 0.368 19328 4228 1 16 . 1 1 4 4 CYS CB C 4 30.200 30.200 27.063 3.137 19328 4229 1 16 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.627 0.153 19328 4230 1 16 . 1 1 5 5 PRO C C 5 176.800 176.800 176.902 -0.102 19328 4231 1 16 . 1 1 5 5 PRO CA C 5 63.300 63.300 63.486 -0.187 19328 4232 1 16 . 1 1 5 5 PRO CB C 5 30.100 30.100 32.825 -2.725 19328 4233 1 16 . 1 1 6 6 ALA N N 6 125.200 125.200 124.038 1.162 19328 4234 1 16 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.324 0.156 19328 4235 1 16 . 1 1 6 6 ALA C C 6 176.800 176.800 178.754 -1.954 19328 4236 1 16 . 1 1 6 6 ALA CA C 6 53.300 53.300 52.222 1.078 19328 4237 1 16 . 1 1 6 6 ALA CB C 6 20.200 20.200 19.699 0.501 19328 4238 1 16 . 1 1 7 7 VAL N N 7 121.500 121.500 116.224 5.276 19328 4239 1 16 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.914 -0.184 19328 4240 1 16 . 1 1 7 7 VAL C C 7 177.600 177.600 176.075 1.525 19328 4241 1 16 . 1 1 7 7 VAL CA C 7 66.300 66.300 64.036 2.264 19328 4242 1 16 . 1 1 7 7 VAL CB C 7 31.300 31.300 31.605 -0.305 19328 4243 1 16 . 1 1 8 8 SER N N 8 113.200 113.200 115.951 -2.751 19328 4244 1 16 . 1 1 8 8 SER HA H 8 4.550 4.550 4.677 -0.127 19328 4245 1 16 . 1 1 8 8 SER C C 8 172.900 172.900 173.011 -0.111 19328 4246 1 16 . 1 1 8 8 SER CA C 8 56.700 56.700 57.933 -1.233 19328 4247 1 16 . 1 1 8 8 SER CB C 8 63.300 63.300 62.722 0.577 19328 4248 1 16 . 1 1 9 9 CYS N N 9 126.000 126.000 124.353 1.647 19328 4249 1 16 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.809 0.451 19328 4250 1 16 . 1 1 9 9 CYS C C 9 177.300 177.300 174.845 2.455 19328 4251 1 16 . 1 1 9 9 CYS CA C 9 58.200 58.200 58.297 -0.097 19328 4252 1 16 . 1 1 9 9 CYS CB C 9 29.600 29.600 27.729 1.871 19328 4253 1 16 . 1 1 10 10 LEU N N 10 135.700 135.700 119.229 16.471 19328 4254 1 16 . 1 1 10 10 LEU HA H 10 4.180 4.180 3.738 0.442 19328 4255 1 16 . 1 1 10 10 LEU C C 10 176.300 176.300 176.619 -0.319 19328 4256 1 16 . 1 1 10 10 LEU CA C 10 55.900 55.900 56.935 -1.035 19328 4257 1 16 . 1 1 10 10 LEU CB C 10 41.500 41.500 40.831 0.669 19328 4258 1 16 . 1 1 11 11 GLN N N 11 120.100 120.100 112.980 7.120 19328 4259 1 16 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.110 -0.240 19328 4260 1 16 . 1 1 11 11 GLN CA C 11 55.400 55.400 55.522 -0.122 19328 4261 1 16 . 1 1 11 11 GLN CB C 11 28.100 28.100 27.320 0.780 19328 4262 1 16 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.608 -0.378 19328 4263 1 16 . 1 1 12 12 PRO C C 12 176.700 176.700 175.981 0.719 19328 4264 1 16 . 1 1 12 12 PRO CA C 12 62.700 62.700 62.379 0.321 19328 4265 1 16 . 1 1 12 12 PRO CB C 12 31.300 31.300 31.351 -0.051 19328 4266 1 16 . 1 1 13 13 GLU N N 13 120.800 120.800 124.924 -4.124 19328 4267 1 16 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.333 0.007 19328 4268 1 16 . 1 1 13 13 GLU C C 13 176.700 176.700 176.315 0.385 19328 4269 1 16 . 1 1 13 13 GLU CA C 13 55.600 55.600 56.540 -0.940 19328 4270 1 16 . 1 1 13 13 GLU CB C 13 32.100 32.100 28.689 3.411 19328 4271 1 16 . 1 1 14 14 GLY N N 14 109.000 109.000 112.513 -3.513 19328 4272 1 16 . 1 1 14 14 GLY C C 14 174.100 174.100 174.305 -0.205 19328 4273 1 16 . 1 1 14 14 GLY CA C 14 44.800 44.800 45.119 -0.319 19328 4274 1 16 . 1 1 15 15 ASP N N 15 118.800 118.800 124.379 -5.579 19328 4275 1 16 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.590 0.090 19328 4276 1 16 . 1 1 15 15 ASP C C 15 177.000 177.000 176.443 0.557 19328 4277 1 16 . 1 1 15 15 ASP CA C 15 55.500 55.500 55.608 -0.108 19328 4278 1 16 . 1 1 15 15 ASP CB C 15 41.400 41.400 41.246 0.154 19328 4279 1 16 . 1 1 16 16 GLU N N 16 120.100 120.100 117.364 2.736 19328 4280 1 16 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.262 0.298 19328 4281 1 16 . 1 1 16 16 GLU C C 16 175.400 175.400 177.013 -1.613 19328 4282 1 16 . 1 1 16 16 GLU CA C 16 55.600 55.600 55.918 -0.318 19328 4283 1 16 . 1 1 16 16 GLU CB C 16 29.200 29.200 29.219 -0.019 19328 4284 1 16 . 1 1 17 17 VAL N N 17 120.100 120.100 118.470 1.630 19328 4285 1 16 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.127 -0.167 19328 4286 1 16 . 1 1 17 17 VAL C C 17 174.500 174.500 174.699 -0.199 19328 4287 1 16 . 1 1 17 17 VAL CA C 17 61.600 61.600 61.837 -0.237 19328 4288 1 16 . 1 1 17 17 VAL CB C 17 33.200 33.200 32.587 0.613 19328 4289 1 16 . 1 1 18 18 ASP N N 18 122.700 122.700 123.398 -0.698 19328 4290 1 16 . 1 1 18 18 ASP HA H 18 5.130 5.130 4.226 0.904 19328 4291 1 16 . 1 1 18 18 ASP C C 18 176.900 176.900 175.116 1.784 19328 4292 1 16 . 1 1 18 18 ASP CA C 18 54.200 54.200 53.050 1.150 19328 4293 1 16 . 1 1 18 18 ASP CB C 18 42.500 42.500 42.414 0.086 19328 4294 1 16 . 1 1 19 19 TRP N N 19 124.200 124.200 119.283 4.917 19328 4295 1 16 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.047 0.593 19328 4296 1 16 . 1 1 19 19 TRP C C 19 176.200 176.200 175.711 0.489 19328 4297 1 16 . 1 1 19 19 TRP CA C 19 57.300 57.300 55.533 1.767 19328 4298 1 16 . 1 1 19 19 TRP CB C 19 34.100 34.100 32.313 1.787 19328 4299 1 16 . 1 1 20 20 VAL N N 20 121.500 121.500 119.856 1.644 19328 4300 1 16 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.407 0.393 19328 4301 1 16 . 1 1 20 20 VAL C C 20 170.800 170.800 173.961 -3.161 19328 4302 1 16 . 1 1 20 20 VAL CA C 20 60.600 60.600 60.021 0.579 19328 4303 1 16 . 1 1 20 20 VAL CB C 20 35.300 35.300 36.891 -1.591 19328 4304 1 16 . 1 1 21 21 GLN N N 21 131.300 131.300 125.744 5.556 19328 4305 1 16 . 1 1 21 21 GLN HA H 21 4.480 4.480 3.955 0.525 19328 4306 1 16 . 1 1 21 21 GLN C C 21 175.300 175.300 175.665 -0.365 19328 4307 1 16 . 1 1 21 21 GLN CA C 21 53.600 53.600 55.820 -2.220 19328 4308 1 16 . 1 1 21 21 GLN CB C 21 28.300 28.300 29.657 -1.357 19328 4309 1 16 . 1 1 22 22 CYS N N 22 127.400 127.400 124.166 3.234 19328 4310 1 16 . 1 1 22 22 CYS HA H 22 4.500 4.500 4.597 -0.097 19328 4311 1 16 . 1 1 22 22 CYS C C 22 176.100 176.100 175.952 0.148 19328 4312 1 16 . 1 1 22 22 CYS CA C 22 60.600 60.600 59.302 1.298 19328 4313 1 16 . 1 1 22 22 CYS CB C 22 31.300 31.300 26.485 4.815 19328 4314 1 16 . 1 1 23 23 ASP N N 23 129.200 129.200 118.565 10.635 19328 4315 1 16 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.295 0.515 19328 4316 1 16 . 1 1 23 23 ASP C C 23 176.700 176.700 176.303 0.397 19328 4317 1 16 . 1 1 23 23 ASP CA C 23 55.300 55.300 56.251 -0.951 19328 4318 1 16 . 1 1 23 23 ASP CB C 23 41.300 41.300 39.648 1.653 19328 4319 1 16 . 1 1 24 24 GLY N N 24 116.300 116.300 105.842 10.458 19328 4320 1 16 . 1 1 24 24 GLY C C 24 173.700 173.700 176.039 -2.339 19328 4321 1 16 . 1 1 24 24 GLY CA C 24 43.700 43.700 44.832 -1.132 19328 4322 1 16 . 1 1 25 25 SER N N 25 116.500 116.500 114.409 2.091 19328 4323 1 16 . 1 1 25 25 SER HA H 25 4.180 4.180 4.255 -0.075 19328 4324 1 16 . 1 1 25 25 SER C C 25 176.600 176.600 175.978 0.622 19328 4325 1 16 . 1 1 25 25 SER CA C 25 61.000 61.000 60.527 0.473 19328 4326 1 16 . 1 1 25 25 SER CB C 25 63.700 63.700 62.772 0.928 19328 4327 1 16 . 1 1 26 26 CYS N N 26 122.000 122.000 118.367 3.633 19328 4328 1 16 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.330 0.070 19328 4329 1 16 . 1 1 26 26 CYS C C 26 176.500 176.500 175.553 0.947 19328 4330 1 16 . 1 1 26 26 CYS CA C 26 60.800 60.800 59.380 1.420 19328 4331 1 16 . 1 1 26 26 CYS CB C 26 29.600 29.600 27.494 2.106 19328 4332 1 16 . 1 1 27 27 ASN N N 27 117.000 117.000 116.659 0.341 19328 4333 1 16 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.387 0.433 19328 4334 1 16 . 1 1 27 27 ASN C C 27 174.900 174.900 173.805 1.095 19328 4335 1 16 . 1 1 27 27 ASN CA C 27 54.800 54.800 54.377 0.423 19328 4336 1 16 . 1 1 27 27 ASN CB C 27 39.500 39.500 37.539 1.961 19328 4337 1 16 . 1 1 28 28 GLN N N 28 120.700 120.700 116.901 3.799 19328 4338 1 16 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.341 0.019 19328 4339 1 16 . 1 1 28 28 GLN C C 28 174.600 174.600 175.992 -1.392 19328 4340 1 16 . 1 1 28 28 GLN CA C 28 57.100 57.100 56.099 1.001 19328 4341 1 16 . 1 1 28 28 GLN CB C 28 31.500 31.500 29.299 2.201 19328 4342 1 16 . 1 1 29 29 TRP N N 29 119.600 119.600 122.752 -3.152 19328 4343 1 16 . 1 1 29 29 TRP HA H 29 4.950 4.950 4.926 0.024 19328 4344 1 16 . 1 1 29 29 TRP C C 29 175.400 175.400 176.391 -0.991 19328 4345 1 16 . 1 1 29 29 TRP CA C 29 57.100 57.100 56.404 0.696 19328 4346 1 16 . 1 1 29 29 TRP CB C 29 30.500 30.500 29.598 0.902 19328 4347 1 16 . 1 1 30 30 PHE N N 30 119.600 119.600 123.043 -3.443 19328 4348 1 16 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.846 -0.016 19328 4349 1 16 . 1 1 30 30 PHE C C 30 176.600 176.600 175.977 0.623 19328 4350 1 16 . 1 1 30 30 PHE CA C 30 56.400 56.400 56.177 0.223 19328 4351 1 16 . 1 1 30 30 PHE CB C 30 43.000 43.000 41.474 1.526 19328 4352 1 16 . 1 1 31 31 HIS N N 31 123.600 123.600 122.924 0.676 19328 4353 1 16 . 1 1 31 31 HIS HA H 31 4.230 4.230 4.858 -0.628 19328 4354 1 16 . 1 1 31 31 HIS C C 31 177.400 177.400 176.143 1.257 19328 4355 1 16 . 1 1 31 31 HIS CA C 31 57.100 57.100 56.242 0.858 19328 4356 1 16 . 1 1 31 31 HIS CB C 31 29.800 29.800 29.354 0.446 19328 4357 1 16 . 1 1 32 32 GLN N N 32 124.100 124.100 125.124 -1.024 19328 4358 1 16 . 1 1 32 32 GLN HA H 32 3.520 3.520 3.909 -0.389 19328 4359 1 16 . 1 1 32 32 GLN C C 32 179.100 179.100 178.167 0.933 19328 4360 1 16 . 1 1 32 32 GLN CA C 32 60.600 60.600 59.399 1.201 19328 4361 1 16 . 1 1 32 32 GLN CB C 32 26.900 26.900 28.769 -1.869 19328 4362 1 16 . 1 1 33 33 VAL N N 33 112.800 112.800 114.571 -1.771 19328 4363 1 16 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.759 0.311 19328 4364 1 16 . 1 1 33 33 VAL C C 33 178.200 178.200 177.165 1.035 19328 4365 1 16 . 1 1 33 33 VAL CA C 33 64.400 64.400 65.591 -1.191 19328 4366 1 16 . 1 1 33 33 VAL CB C 33 31.600 31.600 31.129 0.471 19328 4367 1 16 . 1 1 34 34 CYS N N 34 120.900 120.900 117.864 3.036 19328 4368 1 16 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.267 -0.187 19328 4369 1 16 . 1 1 34 34 CYS C C 34 177.100 177.100 176.483 0.617 19328 4370 1 16 . 1 1 34 34 CYS CA C 34 62.500 62.500 61.907 0.592 19328 4371 1 16 . 1 1 34 34 CYS CB C 34 29.500 29.500 26.476 3.024 19328 4372 1 16 . 1 1 35 35 VAL N N 35 106.500 106.500 113.416 -6.916 19328 4373 1 16 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.380 0.180 19328 4374 1 16 . 1 1 35 35 VAL C C 35 176.200 176.200 176.440 -0.240 19328 4375 1 16 . 1 1 35 35 VAL CA C 35 60.100 60.100 61.675 -1.575 19328 4376 1 16 . 1 1 35 35 VAL CB C 35 31.800 31.800 31.922 -0.122 19328 4377 1 16 . 1 1 36 36 GLY N N 36 109.800 109.800 109.051 0.749 19328 4378 1 16 . 1 1 36 36 GLY C C 36 174.600 174.600 174.492 0.108 19328 4379 1 16 . 1 1 36 36 GLY CA C 36 46.900 46.900 45.650 1.250 19328 4380 1 16 . 1 1 37 37 VAL N N 37 119.000 119.000 119.949 -0.949 19328 4381 1 16 . 1 1 37 37 VAL HA H 37 4.330 4.330 3.904 0.426 19328 4382 1 16 . 1 1 37 37 VAL C C 37 174.000 174.000 175.457 -1.457 19328 4383 1 16 . 1 1 37 37 VAL CA C 37 60.800 60.800 62.659 -1.859 19328 4384 1 16 . 1 1 37 37 VAL CB C 37 34.200 34.200 32.321 1.879 19328 4385 1 16 . 1 1 38 38 SER N N 38 122.000 122.000 123.077 -1.077 19328 4386 1 16 . 1 1 38 38 SER HA H 38 4.900 4.900 4.860 0.040 19328 4387 1 16 . 1 1 38 38 SER C C 38 174.100 174.100 174.274 -0.174 19328 4388 1 16 . 1 1 38 38 SER CA C 38 55.500 55.500 55.956 -0.456 19328 4389 1 16 . 1 1 38 38 SER CB C 38 63.800 63.800 63.153 0.647 19328 4390 1 16 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.498 -0.138 19328 4391 1 16 . 1 1 39 39 PRO C C 39 179.300 179.300 178.636 0.664 19328 4392 1 16 . 1 1 39 39 PRO CA C 39 65.600 65.600 65.781 -0.181 19328 4393 1 16 . 1 1 39 39 PRO CB C 39 31.900 31.900 31.892 0.008 19328 4394 1 16 . 1 1 40 40 GLU N N 40 116.600 116.600 118.681 -2.081 19328 4395 1 16 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.102 0.058 19328 4396 1 16 . 1 1 40 40 GLU C C 40 178.500 178.500 178.734 -0.234 19328 4397 1 16 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.030 0.070 19328 4398 1 16 . 1 1 40 40 GLU CB C 40 29.200 29.200 28.193 1.007 19328 4399 1 16 . 1 1 41 41 MET N N 41 119.300 119.300 120.194 -0.894 19328 4400 1 16 . 1 1 41 41 MET HA H 41 4.260 4.260 4.262 -0.002 19328 4401 1 16 . 1 1 41 41 MET C C 41 178.200 178.200 178.385 -0.185 19328 4402 1 16 . 1 1 41 41 MET CA C 41 57.300 57.300 59.229 -1.929 19328 4403 1 16 . 1 1 41 41 MET CB C 41 33.400 33.400 32.031 1.369 19328 4404 1 16 . 1 1 42 42 ALA N N 42 121.900 121.900 121.532 0.368 19328 4405 1 16 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.541 -0.401 19328 4406 1 16 . 1 1 42 42 ALA C C 42 179.100 179.100 178.879 0.221 19328 4407 1 16 . 1 1 42 42 ALA CA C 42 54.400 54.400 54.192 0.208 19328 4408 1 16 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.493 0.107 19328 4409 1 16 . 1 1 43 43 GLU N N 43 115.100 115.100 117.339 -2.239 19328 4410 1 16 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.065 0.265 19328 4411 1 16 . 1 1 43 43 GLU C C 43 177.600 177.600 178.543 -0.943 19328 4412 1 16 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.561 -1.061 19328 4413 1 16 . 1 1 43 43 GLU CB C 43 30.200 30.200 29.822 0.379 19328 4414 1 16 . 1 1 44 44 LYS N N 44 117.600 117.600 117.277 0.323 19328 4415 1 16 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.266 0.064 19328 4416 1 16 . 1 1 44 44 LYS C C 44 176.200 176.200 177.331 -1.131 19328 4417 1 16 . 1 1 44 44 LYS CA C 44 57.500 57.500 57.547 -0.047 19328 4418 1 16 . 1 1 44 44 LYS CB C 44 34.400 34.400 33.424 0.976 19328 4419 1 16 . 1 1 45 45 GLU N N 45 118.200 118.200 118.853 -0.653 19328 4420 1 16 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.453 0.177 19328 4421 1 16 . 1 1 45 45 GLU C C 45 175.400 175.400 174.874 0.526 19328 4422 1 16 . 1 1 45 45 GLU CA C 45 54.900 54.900 55.285 -0.385 19328 4423 1 16 . 1 1 45 45 GLU CB C 45 32.020 32.020 33.437 -1.417 19328 4424 1 16 . 1 1 46 46 ASP N N 46 121.600 121.600 122.283 -0.683 19328 4425 1 16 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.614 0.166 19328 4426 1 16 . 1 1 46 46 ASP C C 46 175.900 175.900 176.226 -0.326 19328 4427 1 16 . 1 1 46 46 ASP CA C 46 54.200 54.200 54.942 -0.742 19328 4428 1 16 . 1 1 46 46 ASP CB C 46 41.000 41.000 41.704 -0.704 19328 4429 1 16 . 1 1 47 47 TYR N N 47 124.600 124.600 121.970 2.630 19328 4430 1 16 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.566 -0.016 19328 4431 1 16 . 1 1 47 47 TYR C C 47 172.200 172.200 174.575 -2.375 19328 4432 1 16 . 1 1 47 47 TYR CA C 47 58.000 58.000 57.269 0.731 19328 4433 1 16 . 1 1 47 47 TYR CB C 47 39.800 39.800 37.297 2.503 19328 4434 1 16 . 1 1 48 48 ILE N N 48 128.000 128.000 127.672 0.328 19328 4435 1 16 . 1 1 48 48 ILE HA H 48 4.470 4.470 4.121 0.349 19328 4436 1 16 . 1 1 48 48 ILE C C 48 174.800 174.800 175.639 -0.839 19328 4437 1 16 . 1 1 48 48 ILE CA C 48 58.600 58.600 61.199 -2.599 19328 4438 1 16 . 1 1 48 48 ILE CB C 48 38.300 38.300 36.300 2.000 19328 4439 1 16 . 1 1 49 49 CYS N N 49 130.100 130.100 125.818 4.282 19328 4440 1 16 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.088 0.072 19328 4441 1 16 . 1 1 49 49 CYS C C 49 176.400 176.400 176.235 0.165 19328 4442 1 16 . 1 1 49 49 CYS CA C 49 58.500 58.500 57.008 1.492 19328 4443 1 16 . 1 1 49 49 CYS CB C 49 31.800 31.800 28.633 3.167 19328 4444 1 16 . 1 1 50 50 VAL N N 50 116.100 116.100 121.574 -5.474 19328 4445 1 16 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.600 0.200 19328 4446 1 16 . 1 1 50 50 VAL C C 50 177.900 177.900 177.274 0.626 19328 4447 1 16 . 1 1 50 50 VAL CA C 50 65.300 65.300 66.160 -0.860 19328 4448 1 16 . 1 1 50 50 VAL CB C 50 31.800 31.800 32.127 -0.327 19328 4449 1 16 . 1 1 51 51 ARG N N 51 121.800 121.800 118.577 3.223 19328 4450 1 16 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.078 0.162 19328 4451 1 16 . 1 1 51 51 ARG C C 51 178.900 178.900 178.625 0.275 19328 4452 1 16 . 1 1 51 51 ARG CA C 51 59.000 59.000 58.971 0.029 19328 4453 1 16 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.727 0.573 19328 4454 1 16 . 1 1 52 52 CYS N N 52 123.700 123.700 115.954 7.746 19328 4455 1 16 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.666 -0.646 19328 4456 1 16 . 1 1 52 52 CYS C C 52 176.500 176.500 176.290 0.210 19328 4457 1 16 . 1 1 52 52 CYS CA C 52 63.400 63.400 60.249 3.151 19328 4458 1 16 . 1 1 52 52 CYS CB C 52 30.100 30.100 26.325 3.775 19328 4459 1 16 . 1 1 53 53 THR N N 53 115.800 115.800 115.171 0.629 19328 4460 1 16 . 1 1 53 53 THR HA H 53 3.860 3.860 4.166 -0.306 19328 4461 1 16 . 1 1 53 53 THR C C 53 174.900 174.900 175.869 -0.969 19328 4462 1 16 . 1 1 53 53 THR CA C 53 65.200 65.200 64.562 0.638 19328 4463 1 16 . 1 1 53 53 THR CB C 53 69.400 69.400 69.080 0.320 19328 4464 1 16 . 1 1 54 54 VAL N N 54 120.900 120.900 120.340 0.560 19328 4465 1 16 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.914 0.106 19328 4466 1 16 . 1 1 54 54 VAL C C 54 176.600 176.600 176.126 0.474 19328 4467 1 16 . 1 1 54 54 VAL CA C 54 63.200 63.200 64.596 -1.396 19328 4468 1 16 . 1 1 54 54 VAL CB C 54 32.400 32.400 32.257 0.143 19328 4469 1 16 . 1 1 55 55 LYS N N 55 123.100 123.100 119.356 3.744 19328 4470 1 16 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.564 -0.354 19328 4471 1 16 . 1 1 55 55 LYS C C 55 176.700 176.700 175.266 1.434 19328 4472 1 16 . 1 1 55 55 LYS CA C 55 57.200 57.200 55.437 1.763 19328 4473 1 16 . 1 1 55 55 LYS CB C 55 33.100 33.100 32.955 0.145 19328 4474 1 16 . 1 1 56 56 ASP N N 56 119.600 119.600 120.683 -1.083 19328 4475 1 16 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.516 0.064 19328 4476 1 16 . 1 1 56 56 ASP C C 56 175.600 175.600 175.359 0.241 19328 4477 1 16 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.906 -0.606 19328 4478 1 16 . 1 1 56 56 ASP CB C 56 40.800 40.800 41.191 -0.391 19328 4479 1 16 . 1 1 57 57 ALA N N 57 124.700 124.700 123.244 1.456 19328 4480 1 16 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.660 -0.120 19328 4481 1 16 . 1 1 57 57 ALA CA C 57 51.100 51.100 49.887 1.213 19328 4482 1 16 . 1 1 57 57 ALA CB C 57 18.200 18.200 19.320 -1.120 19328 4483 1 16 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.385 0.065 19328 4484 1 16 . 1 1 58 58 PRO C C 58 177.100 177.100 176.553 0.547 19328 4485 1 16 . 1 1 58 58 PRO CA C 58 63.500 63.500 63.257 0.243 19328 4486 1 16 . 1 1 58 58 PRO CB C 58 31.900 31.900 32.466 -0.566 19328 4487 1 16 . 1 1 59 59 SER N N 59 115.500 115.500 115.488 0.012 19328 4488 1 16 . 1 1 59 59 SER HA H 59 4.430 4.430 4.573 -0.143 19328 4489 1 16 . 1 1 59 59 SER C C 59 174.500 174.500 173.493 1.007 19328 4490 1 16 . 1 1 59 59 SER CA C 59 58.300 58.300 57.222 1.078 19328 4491 1 16 . 1 1 59 59 SER CB C 59 63.700 63.700 63.418 0.282 19328 4492 1 16 . 1 1 60 60 ARG N N 60 123.600 123.600 126.823 -3.223 19328 4493 1 16 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.386 0.004 19328 4494 1 16 . 1 1 60 60 ARG C C 60 175.300 175.300 175.543 -0.243 19328 4495 1 16 . 1 1 60 60 ARG CA C 60 55.900 55.900 55.934 -0.034 19328 4496 1 16 . 1 1 60 60 ARG CB C 60 30.800 30.800 29.943 0.857 19328 4497 1 17 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.884 -0.064 19328 4498 1 17 . 1 1 2 2 HIS C C 2 174.000 174.000 174.198 -0.198 19328 4499 1 17 . 1 1 2 2 HIS CA C 2 55.800 55.800 57.273 -1.472 19328 4500 1 17 . 1 1 2 2 HIS CB C 2 30.400 30.400 30.581 -0.180 19328 4501 1 17 . 1 1 3 3 MET N N 3 121.100 121.100 123.999 -2.899 19328 4502 1 17 . 1 1 3 3 MET HA H 3 5.220 5.220 4.452 0.768 19328 4503 1 17 . 1 1 3 3 MET C C 3 176.100 176.100 174.414 1.686 19328 4504 1 17 . 1 1 3 3 MET CA C 3 55.800 55.800 55.841 -0.041 19328 4505 1 17 . 1 1 3 3 MET CB C 3 34.500 34.500 33.309 1.190 19328 4506 1 17 . 1 1 4 4 CYS N N 4 129.800 129.800 120.073 9.727 19328 4507 1 17 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.840 0.390 19328 4508 1 17 . 1 1 4 4 CYS CA C 4 57.000 57.000 57.267 -0.267 19328 4509 1 17 . 1 1 4 4 CYS CB C 4 30.200 30.200 26.872 3.328 19328 4510 1 17 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.316 0.464 19328 4511 1 17 . 1 1 5 5 PRO C C 5 176.800 176.800 177.376 -0.576 19328 4512 1 17 . 1 1 5 5 PRO CA C 5 63.300 63.300 63.943 -0.643 19328 4513 1 17 . 1 1 5 5 PRO CB C 5 30.100 30.100 32.338 -2.238 19328 4514 1 17 . 1 1 6 6 ALA N N 6 125.200 125.200 120.859 4.341 19328 4515 1 17 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.488 -0.008 19328 4516 1 17 . 1 1 6 6 ALA C C 6 176.800 176.800 179.019 -2.219 19328 4517 1 17 . 1 1 6 6 ALA CA C 6 53.300 53.300 52.388 0.912 19328 4518 1 17 . 1 1 6 6 ALA CB C 6 20.200 20.200 19.786 0.414 19328 4519 1 17 . 1 1 7 7 VAL N N 7 121.500 121.500 115.720 5.780 19328 4520 1 17 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.938 -0.208 19328 4521 1 17 . 1 1 7 7 VAL C C 7 177.600 177.600 177.243 0.357 19328 4522 1 17 . 1 1 7 7 VAL CA C 7 66.300 66.300 64.695 1.605 19328 4523 1 17 . 1 1 7 7 VAL CB C 7 31.300 31.300 31.793 -0.493 19328 4524 1 17 . 1 1 8 8 SER N N 8 113.200 113.200 115.060 -1.860 19328 4525 1 17 . 1 1 8 8 SER HA H 8 4.550 4.550 4.532 0.018 19328 4526 1 17 . 1 1 8 8 SER C C 8 172.900 172.900 173.882 -0.982 19328 4527 1 17 . 1 1 8 8 SER CA C 8 56.700 56.700 56.822 -0.122 19328 4528 1 17 . 1 1 8 8 SER CB C 8 63.300 63.300 61.833 1.467 19328 4529 1 17 . 1 1 9 9 CYS N N 9 126.000 126.000 122.847 3.153 19328 4530 1 17 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.832 0.428 19328 4531 1 17 . 1 1 9 9 CYS C C 9 177.300 177.300 175.347 1.953 19328 4532 1 17 . 1 1 9 9 CYS CA C 9 58.200 58.200 58.631 -0.431 19328 4533 1 17 . 1 1 9 9 CYS CB C 9 29.600 29.600 26.763 2.837 19328 4534 1 17 . 1 1 10 10 LEU N N 10 135.700 135.700 127.453 8.247 19328 4535 1 17 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.338 -0.158 19328 4536 1 17 . 1 1 10 10 LEU C C 10 176.300 176.300 176.705 -0.405 19328 4537 1 17 . 1 1 10 10 LEU CA C 10 55.900 55.900 55.075 0.825 19328 4538 1 17 . 1 1 10 10 LEU CB C 10 41.500 41.500 42.685 -1.185 19328 4539 1 17 . 1 1 11 11 GLN N N 11 120.100 120.100 119.551 0.549 19328 4540 1 17 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.700 -0.830 19328 4541 1 17 . 1 1 11 11 GLN CA C 11 55.400 55.400 52.834 2.566 19328 4542 1 17 . 1 1 11 11 GLN CB C 11 28.100 28.100 28.289 -0.189 19328 4543 1 17 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.555 -0.325 19328 4544 1 17 . 1 1 12 12 PRO C C 12 176.700 176.700 176.109 0.591 19328 4545 1 17 . 1 1 12 12 PRO CA C 12 62.700 62.700 62.877 -0.177 19328 4546 1 17 . 1 1 12 12 PRO CB C 12 31.300 31.300 32.151 -0.851 19328 4547 1 17 . 1 1 13 13 GLU N N 13 120.800 120.800 121.828 -1.028 19328 4548 1 17 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.520 -0.180 19328 4549 1 17 . 1 1 13 13 GLU C C 13 176.700 176.700 175.607 1.093 19328 4550 1 17 . 1 1 13 13 GLU CA C 13 55.600 55.600 56.008 -0.408 19328 4551 1 17 . 1 1 13 13 GLU CB C 13 32.100 32.100 31.052 1.048 19328 4552 1 17 . 1 1 14 14 GLY N N 14 109.000 109.000 111.651 -2.651 19328 4553 1 17 . 1 1 14 14 GLY C C 14 174.100 174.100 173.851 0.249 19328 4554 1 17 . 1 1 14 14 GLY CA C 14 44.800 44.800 44.663 0.136 19328 4555 1 17 . 1 1 15 15 ASP N N 15 118.800 118.800 124.789 -5.989 19328 4556 1 17 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.687 -0.007 19328 4557 1 17 . 1 1 15 15 ASP C C 15 177.000 177.000 175.686 1.314 19328 4558 1 17 . 1 1 15 15 ASP CA C 15 55.500 55.500 54.016 1.484 19328 4559 1 17 . 1 1 15 15 ASP CB C 15 41.400 41.400 40.047 1.353 19328 4560 1 17 . 1 1 16 16 GLU N N 16 120.100 120.100 120.262 -0.162 19328 4561 1 17 . 1 1 16 16 GLU HA H 16 4.560 4.560 3.989 0.571 19328 4562 1 17 . 1 1 16 16 GLU C C 16 175.400 175.400 174.989 0.411 19328 4563 1 17 . 1 1 16 16 GLU CA C 16 55.600 55.600 57.005 -1.405 19328 4564 1 17 . 1 1 16 16 GLU CB C 16 29.200 29.200 29.052 0.148 19328 4565 1 17 . 1 1 17 17 VAL N N 17 120.100 120.100 123.683 -3.583 19328 4566 1 17 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.226 -0.266 19328 4567 1 17 . 1 1 17 17 VAL C C 17 174.500 174.500 175.942 -1.442 19328 4568 1 17 . 1 1 17 17 VAL CA C 17 61.600 61.600 62.099 -0.499 19328 4569 1 17 . 1 1 17 17 VAL CB C 17 33.200 33.200 33.262 -0.062 19328 4570 1 17 . 1 1 18 18 ASP N N 18 122.700 122.700 126.804 -4.104 19328 4571 1 17 . 1 1 18 18 ASP HA H 18 5.130 5.130 4.703 0.427 19328 4572 1 17 . 1 1 18 18 ASP C C 18 176.900 176.900 175.307 1.593 19328 4573 1 17 . 1 1 18 18 ASP CA C 18 54.200 54.200 55.672 -1.472 19328 4574 1 17 . 1 1 18 18 ASP CB C 18 42.500 42.500 41.133 1.367 19328 4575 1 17 . 1 1 19 19 TRP N N 19 124.200 124.200 123.426 0.774 19328 4576 1 17 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.070 0.570 19328 4577 1 17 . 1 1 19 19 TRP C C 19 176.200 176.200 175.776 0.424 19328 4578 1 17 . 1 1 19 19 TRP CA C 19 57.300 57.300 56.446 0.855 19328 4579 1 17 . 1 1 19 19 TRP CB C 19 34.100 34.100 31.928 2.172 19328 4580 1 17 . 1 1 20 20 VAL N N 20 121.500 121.500 124.183 -2.683 19328 4581 1 17 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.376 0.424 19328 4582 1 17 . 1 1 20 20 VAL C C 20 170.800 170.800 174.127 -3.327 19328 4583 1 17 . 1 1 20 20 VAL CA C 20 60.600 60.600 60.427 0.173 19328 4584 1 17 . 1 1 20 20 VAL CB C 20 35.300 35.300 34.312 0.988 19328 4585 1 17 . 1 1 21 21 GLN N N 21 131.300 131.300 127.401 3.899 19328 4586 1 17 . 1 1 21 21 GLN HA H 21 4.480 4.480 3.736 0.744 19328 4587 1 17 . 1 1 21 21 GLN C C 21 175.300 175.300 175.055 0.245 19328 4588 1 17 . 1 1 21 21 GLN CA C 21 53.600 53.600 55.225 -1.625 19328 4589 1 17 . 1 1 21 21 GLN CB C 21 28.300 28.300 29.032 -0.732 19328 4590 1 17 . 1 1 22 22 CYS N N 22 127.400 127.400 128.421 -1.021 19328 4591 1 17 . 1 1 22 22 CYS HA H 22 4.500 4.500 4.899 -0.399 19328 4592 1 17 . 1 1 22 22 CYS C C 22 176.100 176.100 175.784 0.316 19328 4593 1 17 . 1 1 22 22 CYS CA C 22 60.600 60.600 57.991 2.609 19328 4594 1 17 . 1 1 22 22 CYS CB C 22 31.300 31.300 25.351 5.949 19328 4595 1 17 . 1 1 23 23 ASP N N 23 129.200 129.200 127.534 1.666 19328 4596 1 17 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.355 0.455 19328 4597 1 17 . 1 1 23 23 ASP C C 23 176.700 176.700 176.743 -0.043 19328 4598 1 17 . 1 1 23 23 ASP CA C 23 55.300 55.300 55.803 -0.503 19328 4599 1 17 . 1 1 23 23 ASP CB C 23 41.300 41.300 41.113 0.187 19328 4600 1 17 . 1 1 24 24 GLY N N 24 116.300 116.300 107.005 9.295 19328 4601 1 17 . 1 1 24 24 GLY C C 24 173.700 173.700 174.812 -1.112 19328 4602 1 17 . 1 1 24 24 GLY CA C 24 43.700 43.700 44.866 -1.166 19328 4603 1 17 . 1 1 25 25 SER N N 25 116.500 116.500 115.303 1.197 19328 4604 1 17 . 1 1 25 25 SER HA H 25 4.180 4.180 4.353 -0.173 19328 4605 1 17 . 1 1 25 25 SER C C 25 176.600 176.600 174.404 2.196 19328 4606 1 17 . 1 1 25 25 SER CA C 25 61.000 61.000 58.229 2.771 19328 4607 1 17 . 1 1 25 25 SER CB C 25 63.700 63.700 61.332 2.368 19328 4608 1 17 . 1 1 26 26 CYS N N 26 122.000 122.000 118.843 3.157 19328 4609 1 17 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.536 -0.136 19328 4610 1 17 . 1 1 26 26 CYS C C 26 176.500 176.500 174.027 2.473 19328 4611 1 17 . 1 1 26 26 CYS CA C 26 60.800 60.800 59.440 1.360 19328 4612 1 17 . 1 1 26 26 CYS CB C 26 29.600 29.600 28.697 0.903 19328 4613 1 17 . 1 1 27 27 ASN N N 27 117.000 117.000 118.637 -1.637 19328 4614 1 17 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.485 0.335 19328 4615 1 17 . 1 1 27 27 ASN C C 27 174.900 174.900 174.275 0.625 19328 4616 1 17 . 1 1 27 27 ASN CA C 27 54.800 54.800 54.095 0.705 19328 4617 1 17 . 1 1 27 27 ASN CB C 27 39.500 39.500 36.542 2.958 19328 4618 1 17 . 1 1 28 28 GLN N N 28 120.700 120.700 118.346 2.354 19328 4619 1 17 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.248 0.112 19328 4620 1 17 . 1 1 28 28 GLN C C 28 174.600 174.600 175.717 -1.117 19328 4621 1 17 . 1 1 28 28 GLN CA C 28 57.100 57.100 56.174 0.926 19328 4622 1 17 . 1 1 28 28 GLN CB C 28 31.500 31.500 29.349 2.151 19328 4623 1 17 . 1 1 29 29 TRP N N 29 119.600 119.600 126.107 -6.507 19328 4624 1 17 . 1 1 29 29 TRP HA H 29 4.950 4.950 4.754 0.196 19328 4625 1 17 . 1 1 29 29 TRP C C 29 175.400 175.400 176.009 -0.609 19328 4626 1 17 . 1 1 29 29 TRP CA C 29 57.100 57.100 57.375 -0.275 19328 4627 1 17 . 1 1 29 29 TRP CB C 29 30.500 30.500 29.706 0.794 19328 4628 1 17 . 1 1 30 30 PHE N N 30 119.600 119.600 121.268 -1.668 19328 4629 1 17 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.367 0.463 19328 4630 1 17 . 1 1 30 30 PHE C C 30 176.600 176.600 174.615 1.985 19328 4631 1 17 . 1 1 30 30 PHE CA C 30 56.400 56.400 55.652 0.748 19328 4632 1 17 . 1 1 30 30 PHE CB C 30 43.000 43.000 41.922 1.078 19328 4633 1 17 . 1 1 31 31 HIS N N 31 123.600 123.600 116.372 7.228 19328 4634 1 17 . 1 1 31 31 HIS HA H 31 4.230 4.230 4.564 -0.334 19328 4635 1 17 . 1 1 31 31 HIS C C 31 177.400 177.400 175.286 2.114 19328 4636 1 17 . 1 1 31 31 HIS CA C 31 57.100 57.100 54.100 3.000 19328 4637 1 17 . 1 1 31 31 HIS CB C 31 29.800 29.800 29.824 -0.024 19328 4638 1 17 . 1 1 32 32 GLN N N 32 124.100 124.100 124.950 -0.850 19328 4639 1 17 . 1 1 32 32 GLN HA H 32 3.520 3.520 3.836 -0.316 19328 4640 1 17 . 1 1 32 32 GLN C C 32 179.100 179.100 177.923 1.177 19328 4641 1 17 . 1 1 32 32 GLN CA C 32 60.600 60.600 59.950 0.650 19328 4642 1 17 . 1 1 32 32 GLN CB C 32 26.900 26.900 28.928 -2.028 19328 4643 1 17 . 1 1 33 33 VAL N N 33 112.800 112.800 112.741 0.059 19328 4644 1 17 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.768 0.302 19328 4645 1 17 . 1 1 33 33 VAL C C 33 178.200 178.200 176.847 1.353 19328 4646 1 17 . 1 1 33 33 VAL CA C 33 64.400 64.400 65.044 -0.644 19328 4647 1 17 . 1 1 33 33 VAL CB C 33 31.600 31.600 31.528 0.072 19328 4648 1 17 . 1 1 34 34 CYS N N 34 120.900 120.900 117.706 3.194 19328 4649 1 17 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.440 -0.360 19328 4650 1 17 . 1 1 34 34 CYS C C 34 177.100 177.100 176.294 0.806 19328 4651 1 17 . 1 1 34 34 CYS CA C 34 62.500 62.500 60.746 1.754 19328 4652 1 17 . 1 1 34 34 CYS CB C 34 29.500 29.500 26.392 3.108 19328 4653 1 17 . 1 1 35 35 VAL N N 35 106.500 106.500 114.902 -8.402 19328 4654 1 17 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.569 -0.009 19328 4655 1 17 . 1 1 35 35 VAL C C 35 176.200 176.200 176.385 -0.185 19328 4656 1 17 . 1 1 35 35 VAL CA C 35 60.100 60.100 61.290 -1.190 19328 4657 1 17 . 1 1 35 35 VAL CB C 35 31.800 31.800 33.064 -1.264 19328 4658 1 17 . 1 1 36 36 GLY N N 36 109.800 109.800 108.272 1.528 19328 4659 1 17 . 1 1 36 36 GLY C C 36 174.600 174.600 174.313 0.287 19328 4660 1 17 . 1 1 36 36 GLY CA C 36 46.900 46.900 44.997 1.903 19328 4661 1 17 . 1 1 37 37 VAL N N 37 119.000 119.000 121.569 -2.569 19328 4662 1 17 . 1 1 37 37 VAL HA H 37 4.330 4.330 4.073 0.257 19328 4663 1 17 . 1 1 37 37 VAL C C 37 174.000 174.000 176.012 -2.012 19328 4664 1 17 . 1 1 37 37 VAL CA C 37 60.800 60.800 61.669 -0.869 19328 4665 1 17 . 1 1 37 37 VAL CB C 37 34.200 34.200 32.131 2.069 19328 4666 1 17 . 1 1 38 38 SER N N 38 122.000 122.000 122.749 -0.749 19328 4667 1 17 . 1 1 38 38 SER HA H 38 4.900 4.900 4.894 0.006 19328 4668 1 17 . 1 1 38 38 SER C C 38 174.100 174.100 174.637 -0.537 19328 4669 1 17 . 1 1 38 38 SER CA C 38 55.500 55.500 56.029 -0.529 19328 4670 1 17 . 1 1 38 38 SER CB C 38 63.800 63.800 63.817 -0.017 19328 4671 1 17 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.361 -0.001 19328 4672 1 17 . 1 1 39 39 PRO C C 39 179.300 179.300 178.884 0.416 19328 4673 1 17 . 1 1 39 39 PRO CA C 39 65.600 65.600 65.429 0.171 19328 4674 1 17 . 1 1 39 39 PRO CB C 39 31.900 31.900 31.827 0.073 19328 4675 1 17 . 1 1 40 40 GLU N N 40 116.600 116.600 119.263 -2.663 19328 4676 1 17 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.069 0.091 19328 4677 1 17 . 1 1 40 40 GLU C C 40 178.500 178.500 178.648 -0.148 19328 4678 1 17 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.699 -0.599 19328 4679 1 17 . 1 1 40 40 GLU CB C 40 29.200 29.200 29.382 -0.182 19328 4680 1 17 . 1 1 41 41 MET N N 41 119.300 119.300 118.395 0.905 19328 4681 1 17 . 1 1 41 41 MET HA H 41 4.260 4.260 4.144 0.116 19328 4682 1 17 . 1 1 41 41 MET C C 41 178.200 178.200 178.958 -0.758 19328 4683 1 17 . 1 1 41 41 MET CA C 41 57.300 57.300 59.077 -1.776 19328 4684 1 17 . 1 1 41 41 MET CB C 41 33.400 33.400 32.728 0.672 19328 4685 1 17 . 1 1 42 42 ALA N N 42 121.900 121.900 120.928 0.972 19328 4686 1 17 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.090 0.050 19328 4687 1 17 . 1 1 42 42 ALA C C 42 179.100 179.100 178.645 0.455 19328 4688 1 17 . 1 1 42 42 ALA CA C 42 54.400 54.400 54.825 -0.425 19328 4689 1 17 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.352 0.248 19328 4690 1 17 . 1 1 43 43 GLU N N 43 115.100 115.100 117.536 -2.436 19328 4691 1 17 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.202 0.128 19328 4692 1 17 . 1 1 43 43 GLU C C 43 177.600 177.600 178.572 -0.972 19328 4693 1 17 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.184 -0.683 19328 4694 1 17 . 1 1 43 43 GLU CB C 43 30.200 30.200 30.121 0.079 19328 4695 1 17 . 1 1 44 44 LYS N N 44 117.600 117.600 119.110 -1.510 19328 4696 1 17 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.170 0.160 19328 4697 1 17 . 1 1 44 44 LYS C C 44 176.200 176.200 177.403 -1.203 19328 4698 1 17 . 1 1 44 44 LYS CA C 44 57.500 57.500 57.756 -0.256 19328 4699 1 17 . 1 1 44 44 LYS CB C 44 34.400 34.400 33.202 1.198 19328 4700 1 17 . 1 1 45 45 GLU N N 45 118.200 118.200 118.249 -0.049 19328 4701 1 17 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.431 0.199 19328 4702 1 17 . 1 1 45 45 GLU C C 45 175.400 175.400 174.928 0.472 19328 4703 1 17 . 1 1 45 45 GLU CA C 45 54.900 54.900 55.341 -0.441 19328 4704 1 17 . 1 1 45 45 GLU CB C 45 32.020 32.020 31.624 0.396 19328 4705 1 17 . 1 1 46 46 ASP N N 46 121.600 121.600 120.697 0.903 19328 4706 1 17 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.653 0.127 19328 4707 1 17 . 1 1 46 46 ASP C C 46 175.900 175.900 175.987 -0.087 19328 4708 1 17 . 1 1 46 46 ASP CA C 46 54.200 54.200 53.842 0.359 19328 4709 1 17 . 1 1 46 46 ASP CB C 46 41.000 41.000 41.511 -0.511 19328 4710 1 17 . 1 1 47 47 TYR N N 47 124.600 124.600 127.331 -2.731 19328 4711 1 17 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.445 0.105 19328 4712 1 17 . 1 1 47 47 TYR C C 47 172.200 172.200 174.616 -2.416 19328 4713 1 17 . 1 1 47 47 TYR CA C 47 58.000 58.000 57.298 0.702 19328 4714 1 17 . 1 1 47 47 TYR CB C 47 39.800 39.800 37.564 2.236 19328 4715 1 17 . 1 1 48 48 ILE N N 48 128.000 128.000 125.397 2.603 19328 4716 1 17 . 1 1 48 48 ILE HA H 48 4.470 4.470 3.870 0.600 19328 4717 1 17 . 1 1 48 48 ILE C C 48 174.800 174.800 176.063 -1.263 19328 4718 1 17 . 1 1 48 48 ILE CA C 48 58.600 58.600 61.127 -2.527 19328 4719 1 17 . 1 1 48 48 ILE CB C 48 38.300 38.300 36.067 2.233 19328 4720 1 17 . 1 1 49 49 CYS N N 49 130.100 130.100 126.937 3.163 19328 4721 1 17 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.194 -0.034 19328 4722 1 17 . 1 1 49 49 CYS C C 49 176.400 176.400 177.125 -0.725 19328 4723 1 17 . 1 1 49 49 CYS CA C 49 58.500 58.500 56.849 1.651 19328 4724 1 17 . 1 1 49 49 CYS CB C 49 31.800 31.800 28.265 3.535 19328 4725 1 17 . 1 1 50 50 VAL N N 50 116.100 116.100 118.342 -2.242 19328 4726 1 17 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.729 0.071 19328 4727 1 17 . 1 1 50 50 VAL C C 50 177.900 177.900 177.680 0.220 19328 4728 1 17 . 1 1 50 50 VAL CA C 50 65.300 65.300 64.920 0.380 19328 4729 1 17 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.502 0.298 19328 4730 1 17 . 1 1 51 51 ARG N N 51 121.800 121.800 120.254 1.546 19328 4731 1 17 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.052 0.188 19328 4732 1 17 . 1 1 51 51 ARG C C 51 178.900 178.900 178.548 0.352 19328 4733 1 17 . 1 1 51 51 ARG CA C 51 59.000 59.000 59.181 -0.181 19328 4734 1 17 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.733 0.567 19328 4735 1 17 . 1 1 52 52 CYS N N 52 123.700 123.700 117.799 5.901 19328 4736 1 17 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.427 -0.407 19328 4737 1 17 . 1 1 52 52 CYS C C 52 176.500 176.500 177.354 -0.854 19328 4738 1 17 . 1 1 52 52 CYS CA C 52 63.400 63.400 61.970 1.430 19328 4739 1 17 . 1 1 52 52 CYS CB C 52 30.100 30.100 26.154 3.946 19328 4740 1 17 . 1 1 53 53 THR N N 53 115.800 115.800 116.694 -0.894 19328 4741 1 17 . 1 1 53 53 THR HA H 53 3.860 3.860 3.935 -0.075 19328 4742 1 17 . 1 1 53 53 THR C C 53 174.900 174.900 176.033 -1.133 19328 4743 1 17 . 1 1 53 53 THR CA C 53 65.200 65.200 66.123 -0.923 19328 4744 1 17 . 1 1 53 53 THR CB C 53 69.400 69.400 68.770 0.630 19328 4745 1 17 . 1 1 54 54 VAL N N 54 120.900 120.900 120.170 0.730 19328 4746 1 17 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.763 0.257 19328 4747 1 17 . 1 1 54 54 VAL C C 54 176.600 176.600 176.739 -0.139 19328 4748 1 17 . 1 1 54 54 VAL CA C 54 63.200 63.200 65.133 -1.933 19328 4749 1 17 . 1 1 54 54 VAL CB C 54 32.400 32.400 31.938 0.462 19328 4750 1 17 . 1 1 55 55 LYS N N 55 123.100 123.100 118.216 4.884 19328 4751 1 17 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.085 0.125 19328 4752 1 17 . 1 1 55 55 LYS C C 55 176.700 176.700 177.110 -0.410 19328 4753 1 17 . 1 1 55 55 LYS CA C 55 57.200 57.200 58.632 -1.432 19328 4754 1 17 . 1 1 55 55 LYS CB C 55 33.100 33.100 32.974 0.126 19328 4755 1 17 . 1 1 56 56 ASP N N 56 119.600 119.600 116.509 3.091 19328 4756 1 17 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.637 -0.057 19328 4757 1 17 . 1 1 56 56 ASP C C 56 175.600 175.600 174.675 0.925 19328 4758 1 17 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.261 0.039 19328 4759 1 17 . 1 1 56 56 ASP CB C 56 40.800 40.800 43.551 -2.751 19328 4760 1 17 . 1 1 57 57 ALA N N 57 124.700 124.700 122.957 1.743 19328 4761 1 17 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.105 0.435 19328 4762 1 17 . 1 1 57 57 ALA CA C 57 51.100 51.100 52.167 -1.067 19328 4763 1 17 . 1 1 57 57 ALA CB C 57 18.200 18.200 18.085 0.115 19328 4764 1 17 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.373 0.077 19328 4765 1 17 . 1 1 58 58 PRO C C 58 177.100 177.100 176.350 0.750 19328 4766 1 17 . 1 1 58 58 PRO CA C 58 63.500 63.500 63.702 -0.202 19328 4767 1 17 . 1 1 58 58 PRO CB C 58 31.900 31.900 30.547 1.353 19328 4768 1 17 . 1 1 59 59 SER N N 59 115.500 115.500 117.023 -1.523 19328 4769 1 17 . 1 1 59 59 SER HA H 59 4.430 4.430 4.647 -0.217 19328 4770 1 17 . 1 1 59 59 SER C C 59 174.500 174.500 173.092 1.408 19328 4771 1 17 . 1 1 59 59 SER CA C 59 58.300 58.300 57.040 1.260 19328 4772 1 17 . 1 1 59 59 SER CB C 59 63.700 63.700 64.463 -0.763 19328 4773 1 17 . 1 1 60 60 ARG N N 60 123.600 123.600 121.681 1.919 19328 4774 1 17 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.574 -0.184 19328 4775 1 17 . 1 1 60 60 ARG C C 60 175.300 175.300 175.222 0.078 19328 4776 1 17 . 1 1 60 60 ARG CA C 60 55.900 55.900 55.919 -0.019 19328 4777 1 17 . 1 1 60 60 ARG CB C 60 30.800 30.800 30.776 0.024 19328 4778 1 18 . 1 1 2 2 HIS HA H 2 4.820 4.820 5.015 -0.195 19328 4779 1 18 . 1 1 2 2 HIS C C 2 174.000 174.000 173.209 0.791 19328 4780 1 18 . 1 1 2 2 HIS CA C 2 55.800 55.800 55.985 -0.185 19328 4781 1 18 . 1 1 2 2 HIS CB C 2 30.400 30.400 30.440 -0.040 19328 4782 1 18 . 1 1 3 3 MET N N 3 121.100 121.100 120.098 1.002 19328 4783 1 18 . 1 1 3 3 MET HA H 3 5.220 5.220 4.622 0.598 19328 4784 1 18 . 1 1 3 3 MET C C 3 176.100 176.100 174.133 1.967 19328 4785 1 18 . 1 1 3 3 MET CA C 3 55.800 55.800 55.681 0.119 19328 4786 1 18 . 1 1 3 3 MET CB C 3 34.500 34.500 34.472 0.028 19328 4787 1 18 . 1 1 4 4 CYS N N 4 129.800 129.800 125.353 4.447 19328 4788 1 18 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.991 0.239 19328 4789 1 18 . 1 1 4 4 CYS CA C 4 57.000 57.000 56.625 0.375 19328 4790 1 18 . 1 1 4 4 CYS CB C 4 30.200 30.200 26.830 3.370 19328 4791 1 18 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.552 0.228 19328 4792 1 18 . 1 1 5 5 PRO C C 5 176.800 176.800 175.720 1.080 19328 4793 1 18 . 1 1 5 5 PRO CA C 5 63.300 63.300 63.215 0.085 19328 4794 1 18 . 1 1 5 5 PRO CB C 5 30.100 30.100 30.959 -0.859 19328 4795 1 18 . 1 1 6 6 ALA N N 6 125.200 125.200 126.534 -1.334 19328 4796 1 18 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.449 0.031 19328 4797 1 18 . 1 1 6 6 ALA C C 6 176.800 176.800 176.450 0.350 19328 4798 1 18 . 1 1 6 6 ALA CA C 6 53.300 53.300 51.871 1.429 19328 4799 1 18 . 1 1 6 6 ALA CB C 6 20.200 20.200 20.703 -0.503 19328 4800 1 18 . 1 1 7 7 VAL N N 7 121.500 121.500 121.019 0.481 19328 4801 1 18 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.505 0.225 19328 4802 1 18 . 1 1 7 7 VAL C C 7 177.600 177.600 176.665 0.935 19328 4803 1 18 . 1 1 7 7 VAL CA C 7 66.300 66.300 65.118 1.182 19328 4804 1 18 . 1 1 7 7 VAL CB C 7 31.300 31.300 31.163 0.136 19328 4805 1 18 . 1 1 8 8 SER N N 8 113.200 113.200 114.243 -1.043 19328 4806 1 18 . 1 1 8 8 SER HA H 8 4.550 4.550 4.510 0.040 19328 4807 1 18 . 1 1 8 8 SER C C 8 172.900 172.900 173.929 -1.029 19328 4808 1 18 . 1 1 8 8 SER CA C 8 56.700 56.700 58.272 -1.572 19328 4809 1 18 . 1 1 8 8 SER CB C 8 63.300 63.300 65.003 -1.703 19328 4810 1 18 . 1 1 9 9 CYS N N 9 126.000 126.000 120.135 5.865 19328 4811 1 18 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.170 1.090 19328 4812 1 18 . 1 1 9 9 CYS C C 9 177.300 177.300 175.895 1.405 19328 4813 1 18 . 1 1 9 9 CYS CA C 9 58.200 58.200 59.061 -0.861 19328 4814 1 18 . 1 1 9 9 CYS CB C 9 29.600 29.600 25.906 3.694 19328 4815 1 18 . 1 1 10 10 LEU N N 10 135.700 135.700 122.946 12.754 19328 4816 1 18 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.083 0.097 19328 4817 1 18 . 1 1 10 10 LEU C C 10 176.300 176.300 176.876 -0.576 19328 4818 1 18 . 1 1 10 10 LEU CA C 10 55.900 55.900 56.298 -0.398 19328 4819 1 18 . 1 1 10 10 LEU CB C 10 41.500 41.500 42.157 -0.657 19328 4820 1 18 . 1 1 11 11 GLN N N 11 120.100 120.100 115.183 4.917 19328 4821 1 18 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.465 -0.595 19328 4822 1 18 . 1 1 11 11 GLN CA C 11 55.400 55.400 55.300 0.100 19328 4823 1 18 . 1 1 11 11 GLN CB C 11 28.100 28.100 27.516 0.584 19328 4824 1 18 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.518 -0.288 19328 4825 1 18 . 1 1 12 12 PRO C C 12 176.700 176.700 176.846 -0.146 19328 4826 1 18 . 1 1 12 12 PRO CA C 12 62.700 62.700 63.025 -0.325 19328 4827 1 18 . 1 1 12 12 PRO CB C 12 31.300 31.300 31.930 -0.630 19328 4828 1 18 . 1 1 13 13 GLU N N 13 120.800 120.800 124.292 -3.492 19328 4829 1 18 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.335 0.005 19328 4830 1 18 . 1 1 13 13 GLU C C 13 176.700 176.700 176.161 0.539 19328 4831 1 18 . 1 1 13 13 GLU CA C 13 55.600 55.600 56.297 -0.697 19328 4832 1 18 . 1 1 13 13 GLU CB C 13 32.100 32.100 28.293 3.807 19328 4833 1 18 . 1 1 14 14 GLY N N 14 109.000 109.000 113.691 -4.691 19328 4834 1 18 . 1 1 14 14 GLY C C 14 174.100 174.100 173.836 0.264 19328 4835 1 18 . 1 1 14 14 GLY CA C 14 44.800 44.800 45.086 -0.285 19328 4836 1 18 . 1 1 15 15 ASP N N 15 118.800 118.800 123.559 -4.759 19328 4837 1 18 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.652 0.028 19328 4838 1 18 . 1 1 15 15 ASP C C 15 177.000 177.000 176.805 0.195 19328 4839 1 18 . 1 1 15 15 ASP CA C 15 55.500 55.500 55.025 0.475 19328 4840 1 18 . 1 1 15 15 ASP CB C 15 41.400 41.400 41.245 0.155 19328 4841 1 18 . 1 1 16 16 GLU N N 16 120.100 120.100 117.645 2.455 19328 4842 1 18 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.074 0.486 19328 4843 1 18 . 1 1 16 16 GLU C C 16 175.400 175.400 176.775 -1.375 19328 4844 1 18 . 1 1 16 16 GLU CA C 16 55.600 55.600 56.768 -1.168 19328 4845 1 18 . 1 1 16 16 GLU CB C 16 29.200 29.200 29.317 -0.117 19328 4846 1 18 . 1 1 17 17 VAL N N 17 120.100 120.100 122.219 -2.119 19328 4847 1 18 . 1 1 17 17 VAL HA H 17 3.960 3.960 3.890 0.070 19328 4848 1 18 . 1 1 17 17 VAL C C 17 174.500 174.500 175.237 -0.737 19328 4849 1 18 . 1 1 17 17 VAL CA C 17 61.600 61.600 62.674 -1.074 19328 4850 1 18 . 1 1 17 17 VAL CB C 17 33.200 33.200 32.377 0.823 19328 4851 1 18 . 1 1 18 18 ASP N N 18 122.700 122.700 126.739 -4.039 19328 4852 1 18 . 1 1 18 18 ASP HA H 18 5.130 5.130 4.447 0.683 19328 4853 1 18 . 1 1 18 18 ASP C C 18 176.900 176.900 175.355 1.545 19328 4854 1 18 . 1 1 18 18 ASP CA C 18 54.200 54.200 54.665 -0.465 19328 4855 1 18 . 1 1 18 18 ASP CB C 18 42.500 42.500 42.023 0.477 19328 4856 1 18 . 1 1 19 19 TRP N N 19 124.200 124.200 120.779 3.421 19328 4857 1 18 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.537 0.103 19328 4858 1 18 . 1 1 19 19 TRP C C 19 176.200 176.200 176.417 -0.217 19328 4859 1 18 . 1 1 19 19 TRP CA C 19 57.300 57.300 55.170 2.130 19328 4860 1 18 . 1 1 19 19 TRP CB C 19 34.100 34.100 31.506 2.594 19328 4861 1 18 . 1 1 20 20 VAL N N 20 121.500 121.500 123.849 -2.349 19328 4862 1 18 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.446 0.354 19328 4863 1 18 . 1 1 20 20 VAL C C 20 170.800 170.800 175.072 -4.272 19328 4864 1 18 . 1 1 20 20 VAL CA C 20 60.600 60.600 60.231 0.369 19328 4865 1 18 . 1 1 20 20 VAL CB C 20 35.300 35.300 33.795 1.505 19328 4866 1 18 . 1 1 21 21 GLN N N 21 131.300 131.300 128.151 3.149 19328 4867 1 18 . 1 1 21 21 GLN HA H 21 4.480 4.480 4.563 -0.083 19328 4868 1 18 . 1 1 21 21 GLN C C 21 175.300 175.300 174.681 0.619 19328 4869 1 18 . 1 1 21 21 GLN CA C 21 53.600 53.600 55.438 -1.838 19328 4870 1 18 . 1 1 21 21 GLN CB C 21 28.300 28.300 30.230 -1.929 19328 4871 1 18 . 1 1 22 22 CYS N N 22 127.400 127.400 126.113 1.287 19328 4872 1 18 . 1 1 22 22 CYS HA H 22 4.500 4.500 5.131 -0.631 19328 4873 1 18 . 1 1 22 22 CYS C C 22 176.100 176.100 175.511 0.589 19328 4874 1 18 . 1 1 22 22 CYS CA C 22 60.600 60.600 56.779 3.821 19328 4875 1 18 . 1 1 22 22 CYS CB C 22 31.300 31.300 25.331 5.969 19328 4876 1 18 . 1 1 23 23 ASP N N 23 129.200 129.200 127.255 1.945 19328 4877 1 18 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.387 0.423 19328 4878 1 18 . 1 1 23 23 ASP C C 23 176.700 176.700 176.912 -0.212 19328 4879 1 18 . 1 1 23 23 ASP CA C 23 55.300 55.300 56.501 -1.201 19328 4880 1 18 . 1 1 23 23 ASP CB C 23 41.300 41.300 41.055 0.245 19328 4881 1 18 . 1 1 24 24 GLY N N 24 116.300 116.300 107.504 8.796 19328 4882 1 18 . 1 1 24 24 GLY C C 24 173.700 173.700 173.963 -0.263 19328 4883 1 18 . 1 1 24 24 GLY CA C 24 43.700 43.700 45.489 -1.789 19328 4884 1 18 . 1 1 25 25 SER N N 25 116.500 116.500 116.997 -0.497 19328 4885 1 18 . 1 1 25 25 SER HA H 25 4.180 4.180 4.023 0.157 19328 4886 1 18 . 1 1 25 25 SER C C 25 176.600 176.600 173.737 2.863 19328 4887 1 18 . 1 1 25 25 SER CA C 25 61.000 61.000 59.168 1.832 19328 4888 1 18 . 1 1 25 25 SER CB C 25 63.700 63.700 61.609 2.091 19328 4889 1 18 . 1 1 26 26 CYS N N 26 122.000 122.000 118.717 3.283 19328 4890 1 18 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.560 -0.160 19328 4891 1 18 . 1 1 26 26 CYS C C 26 176.500 176.500 174.310 2.190 19328 4892 1 18 . 1 1 26 26 CYS CA C 26 60.800 60.800 59.425 1.375 19328 4893 1 18 . 1 1 26 26 CYS CB C 26 29.600 29.600 28.760 0.840 19328 4894 1 18 . 1 1 27 27 ASN N N 27 117.000 117.000 115.053 1.947 19328 4895 1 18 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.322 0.498 19328 4896 1 18 . 1 1 27 27 ASN C C 27 174.900 174.900 174.067 0.833 19328 4897 1 18 . 1 1 27 27 ASN CA C 27 54.800 54.800 54.313 0.487 19328 4898 1 18 . 1 1 27 27 ASN CB C 27 39.500 39.500 37.298 2.202 19328 4899 1 18 . 1 1 28 28 GLN N N 28 120.700 120.700 116.851 3.849 19328 4900 1 18 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.335 0.025 19328 4901 1 18 . 1 1 28 28 GLN C C 28 174.600 174.600 175.380 -0.780 19328 4902 1 18 . 1 1 28 28 GLN CA C 28 57.100 57.100 54.639 2.461 19328 4903 1 18 . 1 1 28 28 GLN CB C 28 31.500 31.500 29.201 2.299 19328 4904 1 18 . 1 1 29 29 TRP N N 29 119.600 119.600 122.464 -2.864 19328 4905 1 18 . 1 1 29 29 TRP HA H 29 4.950 4.950 4.617 0.333 19328 4906 1 18 . 1 1 29 29 TRP C C 29 175.400 175.400 175.733 -0.333 19328 4907 1 18 . 1 1 29 29 TRP CA C 29 57.100 57.100 56.556 0.544 19328 4908 1 18 . 1 1 29 29 TRP CB C 29 30.500 30.500 29.102 1.398 19328 4909 1 18 . 1 1 30 30 PHE N N 30 119.600 119.600 122.062 -2.462 19328 4910 1 18 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.989 -0.159 19328 4911 1 18 . 1 1 30 30 PHE C C 30 176.600 176.600 175.848 0.752 19328 4912 1 18 . 1 1 30 30 PHE CA C 30 56.400 56.400 56.191 0.209 19328 4913 1 18 . 1 1 30 30 PHE CB C 30 43.000 43.000 41.425 1.575 19328 4914 1 18 . 1 1 31 31 HIS N N 31 123.600 123.600 119.638 3.962 19328 4915 1 18 . 1 1 31 31 HIS HA H 31 4.230 4.230 5.476 -1.246 19328 4916 1 18 . 1 1 31 31 HIS C C 31 177.400 177.400 176.644 0.756 19328 4917 1 18 . 1 1 31 31 HIS CA C 31 57.100 57.100 54.293 2.807 19328 4918 1 18 . 1 1 31 31 HIS CB C 31 29.800 29.800 31.614 -1.814 19328 4919 1 18 . 1 1 32 32 GLN N N 32 124.100 124.100 120.954 3.146 19328 4920 1 18 . 1 1 32 32 GLN HA H 32 3.520 3.520 4.046 -0.526 19328 4921 1 18 . 1 1 32 32 GLN C C 32 179.100 179.100 178.262 0.838 19328 4922 1 18 . 1 1 32 32 GLN CA C 32 60.600 60.600 59.721 0.879 19328 4923 1 18 . 1 1 32 32 GLN CB C 32 26.900 26.900 28.825 -1.925 19328 4924 1 18 . 1 1 33 33 VAL N N 33 112.800 112.800 113.333 -0.533 19328 4925 1 18 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.975 0.095 19328 4926 1 18 . 1 1 33 33 VAL C C 33 178.200 178.200 176.399 1.801 19328 4927 1 18 . 1 1 33 33 VAL CA C 33 64.400 64.400 64.394 0.006 19328 4928 1 18 . 1 1 33 33 VAL CB C 33 31.600 31.600 30.980 0.620 19328 4929 1 18 . 1 1 34 34 CYS N N 34 120.900 120.900 117.333 3.567 19328 4930 1 18 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.198 -0.118 19328 4931 1 18 . 1 1 34 34 CYS C C 34 177.100 177.100 175.908 1.192 19328 4932 1 18 . 1 1 34 34 CYS CA C 34 62.500 62.500 60.717 1.783 19328 4933 1 18 . 1 1 34 34 CYS CB C 34 29.500 29.500 26.320 3.180 19328 4934 1 18 . 1 1 35 35 VAL N N 35 106.500 106.500 112.695 -6.195 19328 4935 1 18 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.112 0.448 19328 4936 1 18 . 1 1 35 35 VAL C C 35 176.200 176.200 176.522 -0.322 19328 4937 1 18 . 1 1 35 35 VAL CA C 35 60.100 60.100 61.758 -1.658 19328 4938 1 18 . 1 1 35 35 VAL CB C 35 31.800 31.800 32.418 -0.618 19328 4939 1 18 . 1 1 36 36 GLY N N 36 109.800 109.800 109.593 0.207 19328 4940 1 18 . 1 1 36 36 GLY C C 36 174.600 174.600 174.316 0.284 19328 4941 1 18 . 1 1 36 36 GLY CA C 36 46.900 46.900 45.718 1.182 19328 4942 1 18 . 1 1 37 37 VAL N N 37 119.000 119.000 119.891 -0.891 19328 4943 1 18 . 1 1 37 37 VAL HA H 37 4.330 4.330 4.359 -0.029 19328 4944 1 18 . 1 1 37 37 VAL C C 37 174.000 174.000 175.471 -1.471 19328 4945 1 18 . 1 1 37 37 VAL CA C 37 60.800 60.800 60.513 0.287 19328 4946 1 18 . 1 1 37 37 VAL CB C 37 34.200 34.200 34.008 0.192 19328 4947 1 18 . 1 1 38 38 SER N N 38 122.000 122.000 122.601 -0.601 19328 4948 1 18 . 1 1 38 38 SER HA H 38 4.900 4.900 4.686 0.214 19328 4949 1 18 . 1 1 38 38 SER C C 38 174.100 174.100 174.238 -0.138 19328 4950 1 18 . 1 1 38 38 SER CA C 38 55.500 55.500 57.450 -1.950 19328 4951 1 18 . 1 1 38 38 SER CB C 38 63.800 63.800 63.106 0.694 19328 4952 1 18 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.302 0.058 19328 4953 1 18 . 1 1 39 39 PRO C C 39 179.300 179.300 178.317 0.983 19328 4954 1 18 . 1 1 39 39 PRO CA C 39 65.600 65.600 65.076 0.524 19328 4955 1 18 . 1 1 39 39 PRO CB C 39 31.900 31.900 31.821 0.079 19328 4956 1 18 . 1 1 40 40 GLU N N 40 116.600 116.600 118.470 -1.870 19328 4957 1 18 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.037 0.123 19328 4958 1 18 . 1 1 40 40 GLU C C 40 178.500 178.500 178.553 -0.053 19328 4959 1 18 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.156 -0.056 19328 4960 1 18 . 1 1 40 40 GLU CB C 40 29.200 29.200 28.529 0.671 19328 4961 1 18 . 1 1 41 41 MET N N 41 119.300 119.300 120.707 -1.407 19328 4962 1 18 . 1 1 41 41 MET HA H 41 4.260 4.260 4.337 -0.077 19328 4963 1 18 . 1 1 41 41 MET C C 41 178.200 178.200 177.926 0.274 19328 4964 1 18 . 1 1 41 41 MET CA C 41 57.300 57.300 58.093 -0.793 19328 4965 1 18 . 1 1 41 41 MET CB C 41 33.400 33.400 32.631 0.769 19328 4966 1 18 . 1 1 42 42 ALA N N 42 121.900 121.900 121.120 0.780 19328 4967 1 18 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.189 -0.049 19328 4968 1 18 . 1 1 42 42 ALA C C 42 179.100 179.100 178.557 0.543 19328 4969 1 18 . 1 1 42 42 ALA CA C 42 54.400 54.400 54.536 -0.136 19328 4970 1 18 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.409 0.191 19328 4971 1 18 . 1 1 43 43 GLU N N 43 115.100 115.100 117.721 -2.621 19328 4972 1 18 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.186 0.144 19328 4973 1 18 . 1 1 43 43 GLU C C 43 177.600 177.600 178.255 -0.655 19328 4974 1 18 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.194 -0.694 19328 4975 1 18 . 1 1 43 43 GLU CB C 43 30.200 30.200 29.880 0.320 19328 4976 1 18 . 1 1 44 44 LYS N N 44 117.600 117.600 119.201 -1.601 19328 4977 1 18 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.180 0.150 19328 4978 1 18 . 1 1 44 44 LYS C C 44 176.200 176.200 177.372 -1.172 19328 4979 1 18 . 1 1 44 44 LYS CA C 44 57.500 57.500 58.141 -0.641 19328 4980 1 18 . 1 1 44 44 LYS CB C 44 34.400 34.400 33.612 0.788 19328 4981 1 18 . 1 1 45 45 GLU N N 45 118.200 118.200 118.723 -0.523 19328 4982 1 18 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.488 0.142 19328 4983 1 18 . 1 1 45 45 GLU C C 45 175.400 175.400 174.492 0.908 19328 4984 1 18 . 1 1 45 45 GLU CA C 45 54.900 54.900 55.355 -0.455 19328 4985 1 18 . 1 1 45 45 GLU CB C 45 32.020 32.020 31.920 0.100 19328 4986 1 18 . 1 1 46 46 ASP N N 46 121.600 121.600 121.272 0.328 19328 4987 1 18 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.610 0.170 19328 4988 1 18 . 1 1 46 46 ASP C C 46 175.900 175.900 176.607 -0.707 19328 4989 1 18 . 1 1 46 46 ASP CA C 46 54.200 54.200 54.374 -0.174 19328 4990 1 18 . 1 1 46 46 ASP CB C 46 41.000 41.000 41.801 -0.801 19328 4991 1 18 . 1 1 47 47 TYR N N 47 124.600 124.600 127.649 -3.049 19328 4992 1 18 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.514 0.036 19328 4993 1 18 . 1 1 47 47 TYR C C 47 172.200 172.200 174.480 -2.280 19328 4994 1 18 . 1 1 47 47 TYR CA C 47 58.000 58.000 57.314 0.686 19328 4995 1 18 . 1 1 47 47 TYR CB C 47 39.800 39.800 37.602 2.198 19328 4996 1 18 . 1 1 48 48 ILE N N 48 128.000 128.000 125.932 2.068 19328 4997 1 18 . 1 1 48 48 ILE HA H 48 4.470 4.470 3.926 0.544 19328 4998 1 18 . 1 1 48 48 ILE C C 48 174.800 174.800 175.429 -0.629 19328 4999 1 18 . 1 1 48 48 ILE CA C 48 58.600 58.600 60.687 -2.087 19328 5000 1 18 . 1 1 48 48 ILE CB C 48 38.300 38.300 36.182 2.118 19328 5001 1 18 . 1 1 49 49 CYS N N 49 130.100 130.100 124.503 5.597 19328 5002 1 18 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.121 0.039 19328 5003 1 18 . 1 1 49 49 CYS C C 49 176.400 176.400 176.853 -0.453 19328 5004 1 18 . 1 1 49 49 CYS CA C 49 58.500 58.500 56.588 1.912 19328 5005 1 18 . 1 1 49 49 CYS CB C 49 31.800 31.800 28.626 3.174 19328 5006 1 18 . 1 1 50 50 VAL N N 50 116.100 116.100 118.872 -2.772 19328 5007 1 18 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.587 0.213 19328 5008 1 18 . 1 1 50 50 VAL C C 50 177.900 177.900 177.550 0.350 19328 5009 1 18 . 1 1 50 50 VAL CA C 50 65.300 65.300 65.650 -0.350 19328 5010 1 18 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.675 0.125 19328 5011 1 18 . 1 1 51 51 ARG N N 51 121.800 121.800 119.851 1.949 19328 5012 1 18 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.033 0.207 19328 5013 1 18 . 1 1 51 51 ARG C C 51 178.900 178.900 178.437 0.463 19328 5014 1 18 . 1 1 51 51 ARG CA C 51 59.000 59.000 58.903 0.097 19328 5015 1 18 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.647 0.653 19328 5016 1 18 . 1 1 52 52 CYS N N 52 123.700 123.700 114.478 9.222 19328 5017 1 18 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.469 -0.449 19328 5018 1 18 . 1 1 52 52 CYS C C 52 176.500 176.500 176.286 0.214 19328 5019 1 18 . 1 1 52 52 CYS CA C 52 63.400 63.400 59.851 3.549 19328 5020 1 18 . 1 1 52 52 CYS CB C 52 30.100 30.100 26.034 4.066 19328 5021 1 18 . 1 1 53 53 THR N N 53 115.800 115.800 115.303 0.497 19328 5022 1 18 . 1 1 53 53 THR HA H 53 3.860 3.860 4.162 -0.302 19328 5023 1 18 . 1 1 53 53 THR C C 53 174.900 174.900 176.737 -1.837 19328 5024 1 18 . 1 1 53 53 THR CA C 53 65.200 65.200 64.972 0.227 19328 5025 1 18 . 1 1 53 53 THR CB C 53 69.400 69.400 68.804 0.596 19328 5026 1 18 . 1 1 54 54 VAL N N 54 120.900 120.900 121.675 -0.775 19328 5027 1 18 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.892 0.128 19328 5028 1 18 . 1 1 54 54 VAL C C 54 176.600 176.600 175.616 0.984 19328 5029 1 18 . 1 1 54 54 VAL CA C 54 63.200 63.200 64.581 -1.381 19328 5030 1 18 . 1 1 54 54 VAL CB C 54 32.400 32.400 31.771 0.629 19328 5031 1 18 . 1 1 55 55 LYS N N 55 123.100 123.100 118.144 4.956 19328 5032 1 18 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.383 -0.173 19328 5033 1 18 . 1 1 55 55 LYS C C 55 176.700 176.700 175.564 1.136 19328 5034 1 18 . 1 1 55 55 LYS CA C 55 57.200 57.200 54.856 2.344 19328 5035 1 18 . 1 1 55 55 LYS CB C 55 33.100 33.100 31.965 1.135 19328 5036 1 18 . 1 1 56 56 ASP N N 56 119.600 119.600 122.655 -3.055 19328 5037 1 18 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.531 0.049 19328 5038 1 18 . 1 1 56 56 ASP C C 56 175.600 175.600 175.610 -0.010 19328 5039 1 18 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.157 0.143 19328 5040 1 18 . 1 1 56 56 ASP CB C 56 40.800 40.800 39.712 1.088 19328 5041 1 18 . 1 1 57 57 ALA N N 57 124.700 124.700 125.390 -0.690 19328 5042 1 18 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.118 0.422 19328 5043 1 18 . 1 1 57 57 ALA CA C 57 51.100 51.100 52.144 -1.044 19328 5044 1 18 . 1 1 57 57 ALA CB C 57 18.200 18.200 17.369 0.832 19328 5045 1 18 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.403 0.047 19328 5046 1 18 . 1 1 58 58 PRO C C 58 177.100 177.100 176.780 0.320 19328 5047 1 18 . 1 1 58 58 PRO CA C 58 63.500 63.500 63.311 0.189 19328 5048 1 18 . 1 1 58 58 PRO CB C 58 31.900 31.900 32.529 -0.629 19328 5049 1 18 . 1 1 59 59 SER N N 59 115.500 115.500 114.273 1.227 19328 5050 1 18 . 1 1 59 59 SER HA H 59 4.430 4.430 4.551 -0.121 19328 5051 1 18 . 1 1 59 59 SER C C 59 174.500 174.500 172.450 2.050 19328 5052 1 18 . 1 1 59 59 SER CA C 59 58.300 58.300 57.899 0.401 19328 5053 1 18 . 1 1 59 59 SER CB C 59 63.700 63.700 64.113 -0.413 19328 5054 1 18 . 1 1 60 60 ARG N N 60 123.600 123.600 121.226 2.374 19328 5055 1 18 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.823 -0.433 19328 5056 1 18 . 1 1 60 60 ARG C C 60 175.300 175.300 174.554 0.746 19328 5057 1 18 . 1 1 60 60 ARG CA C 60 55.900 55.900 55.247 0.653 19328 5058 1 18 . 1 1 60 60 ARG CB C 60 30.800 30.800 31.834 -1.034 19328 5059 1 19 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.625 0.195 19328 5060 1 19 . 1 1 2 2 HIS C C 2 174.000 174.000 175.932 -1.932 19328 5061 1 19 . 1 1 2 2 HIS CA C 2 55.800 55.800 56.005 -0.205 19328 5062 1 19 . 1 1 2 2 HIS CB C 2 30.400 30.400 30.359 0.041 19328 5063 1 19 . 1 1 3 3 MET N N 3 121.100 121.100 113.856 7.244 19328 5064 1 19 . 1 1 3 3 MET HA H 3 5.220 5.220 4.269 0.951 19328 5065 1 19 . 1 1 3 3 MET C C 3 176.100 176.100 174.476 1.624 19328 5066 1 19 . 1 1 3 3 MET CA C 3 55.800 55.800 55.966 -0.166 19328 5067 1 19 . 1 1 3 3 MET CB C 3 34.500 34.500 30.054 4.446 19328 5068 1 19 . 1 1 4 4 CYS N N 4 129.800 129.800 110.312 19.488 19328 5069 1 19 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.303 0.927 19328 5070 1 19 . 1 1 4 4 CYS CA C 4 57.000 57.000 56.556 0.444 19328 5071 1 19 . 1 1 4 4 CYS CB C 4 30.200 30.200 27.901 2.299 19328 5072 1 19 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.390 0.390 19328 5073 1 19 . 1 1 5 5 PRO C C 5 176.800 176.800 175.622 1.178 19328 5074 1 19 . 1 1 5 5 PRO CA C 5 63.300 63.300 63.099 0.201 19328 5075 1 19 . 1 1 5 5 PRO CB C 5 30.100 30.100 29.807 0.293 19328 5076 1 19 . 1 1 6 6 ALA N N 6 125.200 125.200 124.588 0.612 19328 5077 1 19 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.738 -0.258 19328 5078 1 19 . 1 1 6 6 ALA C C 6 176.800 176.800 176.908 -0.108 19328 5079 1 19 . 1 1 6 6 ALA CA C 6 53.300 53.300 51.166 2.134 19328 5080 1 19 . 1 1 6 6 ALA CB C 6 20.200 20.200 20.573 -0.373 19328 5081 1 19 . 1 1 7 7 VAL N N 7 121.500 121.500 120.391 1.109 19328 5082 1 19 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.813 -0.083 19328 5083 1 19 . 1 1 7 7 VAL C C 7 177.600 177.600 176.659 0.941 19328 5084 1 19 . 1 1 7 7 VAL CA C 7 66.300 66.300 63.813 2.487 19328 5085 1 19 . 1 1 7 7 VAL CB C 7 31.300 31.300 32.328 -1.028 19328 5086 1 19 . 1 1 8 8 SER N N 8 113.200 113.200 116.031 -2.831 19328 5087 1 19 . 1 1 8 8 SER HA H 8 4.550 4.550 4.469 0.081 19328 5088 1 19 . 1 1 8 8 SER C C 8 172.900 172.900 173.324 -0.424 19328 5089 1 19 . 1 1 8 8 SER CA C 8 56.700 56.700 58.875 -2.175 19328 5090 1 19 . 1 1 8 8 SER CB C 8 63.300 63.300 62.053 1.247 19328 5091 1 19 . 1 1 9 9 CYS N N 9 126.000 126.000 127.043 -1.043 19328 5092 1 19 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.647 0.613 19328 5093 1 19 . 1 1 9 9 CYS C C 9 177.300 177.300 174.156 3.144 19328 5094 1 19 . 1 1 9 9 CYS CA C 9 58.200 58.200 57.877 0.323 19328 5095 1 19 . 1 1 9 9 CYS CB C 9 29.600 29.600 28.167 1.433 19328 5096 1 19 . 1 1 10 10 LEU N N 10 135.700 135.700 128.016 7.684 19328 5097 1 19 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.515 -0.335 19328 5098 1 19 . 1 1 10 10 LEU C C 10 176.300 176.300 176.029 0.271 19328 5099 1 19 . 1 1 10 10 LEU CA C 10 55.900 55.900 54.997 0.903 19328 5100 1 19 . 1 1 10 10 LEU CB C 10 41.500 41.500 42.505 -1.005 19328 5101 1 19 . 1 1 11 11 GLN N N 11 120.100 120.100 122.189 -2.089 19328 5102 1 19 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.564 -0.694 19328 5103 1 19 . 1 1 11 11 GLN CA C 11 55.400 55.400 52.536 2.864 19328 5104 1 19 . 1 1 11 11 GLN CB C 11 28.100 28.100 29.848 -1.748 19328 5105 1 19 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.366 -0.136 19328 5106 1 19 . 1 1 12 12 PRO C C 12 176.700 176.700 176.611 0.089 19328 5107 1 19 . 1 1 12 12 PRO CA C 12 62.700 62.700 63.252 -0.552 19328 5108 1 19 . 1 1 12 12 PRO CB C 12 31.300 31.300 31.774 -0.474 19328 5109 1 19 . 1 1 13 13 GLU N N 13 120.800 120.800 123.770 -2.970 19328 5110 1 19 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.160 0.180 19328 5111 1 19 . 1 1 13 13 GLU C C 13 176.700 176.700 177.873 -1.173 19328 5112 1 19 . 1 1 13 13 GLU CA C 13 55.600 55.600 57.963 -2.363 19328 5113 1 19 . 1 1 13 13 GLU CB C 13 32.100 32.100 29.473 2.627 19328 5114 1 19 . 1 1 14 14 GLY N N 14 109.000 109.000 107.964 1.036 19328 5115 1 19 . 1 1 14 14 GLY C C 14 174.100 174.100 174.343 -0.243 19328 5116 1 19 . 1 1 14 14 GLY CA C 14 44.800 44.800 45.158 -0.358 19328 5117 1 19 . 1 1 15 15 ASP N N 15 118.800 118.800 115.476 3.324 19328 5118 1 19 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.305 0.375 19328 5119 1 19 . 1 1 15 15 ASP C C 15 177.000 177.000 176.566 0.434 19328 5120 1 19 . 1 1 15 15 ASP CA C 15 55.500 55.500 55.622 -0.122 19328 5121 1 19 . 1 1 15 15 ASP CB C 15 41.400 41.400 39.998 1.402 19328 5122 1 19 . 1 1 16 16 GLU N N 16 120.100 120.100 120.234 -0.134 19328 5123 1 19 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.376 0.184 19328 5124 1 19 . 1 1 16 16 GLU C C 16 175.400 175.400 175.736 -0.336 19328 5125 1 19 . 1 1 16 16 GLU CA C 16 55.600 55.600 55.814 -0.214 19328 5126 1 19 . 1 1 16 16 GLU CB C 16 29.200 29.200 28.811 0.389 19328 5127 1 19 . 1 1 17 17 VAL N N 17 120.100 120.100 118.221 1.879 19328 5128 1 19 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.564 -0.604 19328 5129 1 19 . 1 1 17 17 VAL C C 17 174.500 174.500 174.917 -0.417 19328 5130 1 19 . 1 1 17 17 VAL CA C 17 61.600 61.600 60.362 1.238 19328 5131 1 19 . 1 1 17 17 VAL CB C 17 33.200 33.200 34.214 -1.014 19328 5132 1 19 . 1 1 18 18 ASP N N 18 122.700 122.700 126.733 -4.033 19328 5133 1 19 . 1 1 18 18 ASP HA H 18 5.130 5.130 4.891 0.239 19328 5134 1 19 . 1 1 18 18 ASP C C 18 176.900 176.900 175.590 1.310 19328 5135 1 19 . 1 1 18 18 ASP CA C 18 54.200 54.200 53.934 0.266 19328 5136 1 19 . 1 1 18 18 ASP CB C 18 42.500 42.500 41.677 0.823 19328 5137 1 19 . 1 1 19 19 TRP N N 19 124.200 124.200 124.638 -0.438 19328 5138 1 19 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.373 0.267 19328 5139 1 19 . 1 1 19 19 TRP C C 19 176.200 176.200 176.453 -0.253 19328 5140 1 19 . 1 1 19 19 TRP CA C 19 57.300 57.300 56.101 1.199 19328 5141 1 19 . 1 1 19 19 TRP CB C 19 34.100 34.100 31.831 2.269 19328 5142 1 19 . 1 1 20 20 VAL N N 20 121.500 121.500 118.666 2.834 19328 5143 1 19 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.226 0.574 19328 5144 1 19 . 1 1 20 20 VAL C C 20 170.800 170.800 173.203 -2.403 19328 5145 1 19 . 1 1 20 20 VAL CA C 20 60.600 60.600 61.086 -0.486 19328 5146 1 19 . 1 1 20 20 VAL CB C 20 35.300 35.300 36.278 -0.978 19328 5147 1 19 . 1 1 21 21 GLN N N 21 131.300 131.300 126.873 4.427 19328 5148 1 19 . 1 1 21 21 GLN HA H 21 4.480 4.480 3.753 0.727 19328 5149 1 19 . 1 1 21 21 GLN C C 21 175.300 175.300 174.294 1.006 19328 5150 1 19 . 1 1 21 21 GLN CA C 21 53.600 53.600 55.444 -1.843 19328 5151 1 19 . 1 1 21 21 GLN CB C 21 28.300 28.300 29.073 -0.773 19328 5152 1 19 . 1 1 22 22 CYS N N 22 127.400 127.400 128.366 -0.966 19328 5153 1 19 . 1 1 22 22 CYS HA H 22 4.500 4.500 4.552 -0.052 19328 5154 1 19 . 1 1 22 22 CYS C C 22 176.100 176.100 176.358 -0.258 19328 5155 1 19 . 1 1 22 22 CYS CA C 22 60.600 60.600 59.176 1.424 19328 5156 1 19 . 1 1 22 22 CYS CB C 22 31.300 31.300 26.733 4.567 19328 5157 1 19 . 1 1 23 23 ASP N N 23 129.200 129.200 128.332 0.868 19328 5158 1 19 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.142 0.668 19328 5159 1 19 . 1 1 23 23 ASP C C 23 176.700 176.700 175.524 1.176 19328 5160 1 19 . 1 1 23 23 ASP CA C 23 55.300 55.300 56.673 -1.373 19328 5161 1 19 . 1 1 23 23 ASP CB C 23 41.300 41.300 39.829 1.471 19328 5162 1 19 . 1 1 24 24 GLY N N 24 116.300 116.300 106.681 9.619 19328 5163 1 19 . 1 1 24 24 GLY C C 24 173.700 173.700 174.482 -0.782 19328 5164 1 19 . 1 1 24 24 GLY CA C 24 43.700 43.700 45.506 -1.806 19328 5165 1 19 . 1 1 25 25 SER N N 25 116.500 116.500 116.100 0.400 19328 5166 1 19 . 1 1 25 25 SER HA H 25 4.180 4.180 4.449 -0.269 19328 5167 1 19 . 1 1 25 25 SER C C 25 176.600 176.600 176.545 0.055 19328 5168 1 19 . 1 1 25 25 SER CA C 25 61.000 61.000 60.520 0.480 19328 5169 1 19 . 1 1 25 25 SER CB C 25 63.700 63.700 63.895 -0.195 19328 5170 1 19 . 1 1 26 26 CYS N N 26 122.000 122.000 119.279 2.721 19328 5171 1 19 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.526 -0.126 19328 5172 1 19 . 1 1 26 26 CYS C C 26 176.500 176.500 176.347 0.153 19328 5173 1 19 . 1 1 26 26 CYS CA C 26 60.800 60.800 58.989 1.811 19328 5174 1 19 . 1 1 26 26 CYS CB C 26 29.600 29.600 27.945 1.655 19328 5175 1 19 . 1 1 27 27 ASN N N 27 117.000 117.000 117.299 -0.299 19328 5176 1 19 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.516 0.304 19328 5177 1 19 . 1 1 27 27 ASN C C 27 174.900 174.900 174.556 0.344 19328 5178 1 19 . 1 1 27 27 ASN CA C 27 54.800 54.800 55.420 -0.620 19328 5179 1 19 . 1 1 27 27 ASN CB C 27 39.500 39.500 37.485 2.015 19328 5180 1 19 . 1 1 28 28 GLN N N 28 120.700 120.700 119.609 1.091 19328 5181 1 19 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.299 0.061 19328 5182 1 19 . 1 1 28 28 GLN C C 28 174.600 174.600 176.156 -1.556 19328 5183 1 19 . 1 1 28 28 GLN CA C 28 57.100 57.100 56.580 0.520 19328 5184 1 19 . 1 1 28 28 GLN CB C 28 31.500 31.500 29.130 2.370 19328 5185 1 19 . 1 1 29 29 TRP N N 29 119.600 119.600 121.925 -2.325 19328 5186 1 19 . 1 1 29 29 TRP HA H 29 4.950 4.950 5.091 -0.141 19328 5187 1 19 . 1 1 29 29 TRP C C 29 175.400 175.400 176.114 -0.714 19328 5188 1 19 . 1 1 29 29 TRP CA C 29 57.100 57.100 57.135 -0.035 19328 5189 1 19 . 1 1 29 29 TRP CB C 29 30.500 30.500 30.371 0.129 19328 5190 1 19 . 1 1 30 30 PHE N N 30 119.600 119.600 118.498 1.102 19328 5191 1 19 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.412 0.418 19328 5192 1 19 . 1 1 30 30 PHE C C 30 176.600 176.600 174.554 2.046 19328 5193 1 19 . 1 1 30 30 PHE CA C 30 56.400 56.400 55.860 0.540 19328 5194 1 19 . 1 1 30 30 PHE CB C 30 43.000 43.000 42.575 0.425 19328 5195 1 19 . 1 1 31 31 HIS N N 31 123.600 123.600 118.142 5.458 19328 5196 1 19 . 1 1 31 31 HIS HA H 31 4.230 4.230 4.530 -0.300 19328 5197 1 19 . 1 1 31 31 HIS C C 31 177.400 177.400 176.293 1.107 19328 5198 1 19 . 1 1 31 31 HIS CA C 31 57.100 57.100 54.828 2.272 19328 5199 1 19 . 1 1 31 31 HIS CB C 31 29.800 29.800 29.702 0.098 19328 5200 1 19 . 1 1 32 32 GLN N N 32 124.100 124.100 121.368 2.732 19328 5201 1 19 . 1 1 32 32 GLN HA H 32 3.520 3.520 3.957 -0.437 19328 5202 1 19 . 1 1 32 32 GLN C C 32 179.100 179.100 177.957 1.143 19328 5203 1 19 . 1 1 32 32 GLN CA C 32 60.600 60.600 59.248 1.352 19328 5204 1 19 . 1 1 32 32 GLN CB C 32 26.900 26.900 28.288 -1.388 19328 5205 1 19 . 1 1 33 33 VAL N N 33 112.800 112.800 113.120 -0.320 19328 5206 1 19 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.988 0.082 19328 5207 1 19 . 1 1 33 33 VAL C C 33 178.200 178.200 176.511 1.689 19328 5208 1 19 . 1 1 33 33 VAL CA C 33 64.400 64.400 64.278 0.122 19328 5209 1 19 . 1 1 33 33 VAL CB C 33 31.600 31.600 31.101 0.499 19328 5210 1 19 . 1 1 34 34 CYS N N 34 120.900 120.900 118.188 2.712 19328 5211 1 19 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.365 -0.285 19328 5212 1 19 . 1 1 34 34 CYS C C 34 177.100 177.100 175.930 1.170 19328 5213 1 19 . 1 1 34 34 CYS CA C 34 62.500 62.500 60.745 1.755 19328 5214 1 19 . 1 1 34 34 CYS CB C 34 29.500 29.500 27.051 2.449 19328 5215 1 19 . 1 1 35 35 VAL N N 35 106.500 106.500 113.190 -6.690 19328 5216 1 19 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.052 0.508 19328 5217 1 19 . 1 1 35 35 VAL C C 35 176.200 176.200 175.975 0.225 19328 5218 1 19 . 1 1 35 35 VAL CA C 35 60.100 60.100 60.896 -0.796 19328 5219 1 19 . 1 1 35 35 VAL CB C 35 31.800 31.800 31.363 0.437 19328 5220 1 19 . 1 1 36 36 GLY N N 36 109.800 109.800 109.317 0.483 19328 5221 1 19 . 1 1 36 36 GLY C C 36 174.600 174.600 174.334 0.266 19328 5222 1 19 . 1 1 36 36 GLY CA C 36 46.900 46.900 46.073 0.827 19328 5223 1 19 . 1 1 37 37 VAL N N 37 119.000 119.000 119.299 -0.299 19328 5224 1 19 . 1 1 37 37 VAL HA H 37 4.330 4.330 4.083 0.247 19328 5225 1 19 . 1 1 37 37 VAL C C 37 174.000 174.000 175.361 -1.361 19328 5226 1 19 . 1 1 37 37 VAL CA C 37 60.800 60.800 61.669 -0.869 19328 5227 1 19 . 1 1 37 37 VAL CB C 37 34.200 34.200 33.182 1.018 19328 5228 1 19 . 1 1 38 38 SER N N 38 122.000 122.000 121.291 0.709 19328 5229 1 19 . 1 1 38 38 SER HA H 38 4.900 4.900 4.745 0.155 19328 5230 1 19 . 1 1 38 38 SER C C 38 174.100 174.100 173.804 0.296 19328 5231 1 19 . 1 1 38 38 SER CA C 38 55.500 55.500 56.518 -1.018 19328 5232 1 19 . 1 1 38 38 SER CB C 38 63.800 63.800 63.453 0.347 19328 5233 1 19 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.346 0.014 19328 5234 1 19 . 1 1 39 39 PRO C C 39 179.300 179.300 178.861 0.439 19328 5235 1 19 . 1 1 39 39 PRO CA C 39 65.600 65.600 65.697 -0.097 19328 5236 1 19 . 1 1 39 39 PRO CB C 39 31.900 31.900 32.045 -0.145 19328 5237 1 19 . 1 1 40 40 GLU N N 40 116.600 116.600 118.635 -2.035 19328 5238 1 19 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.088 0.072 19328 5239 1 19 . 1 1 40 40 GLU C C 40 178.500 178.500 179.065 -0.565 19328 5240 1 19 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.613 -0.513 19328 5241 1 19 . 1 1 40 40 GLU CB C 40 29.200 29.200 29.053 0.147 19328 5242 1 19 . 1 1 41 41 MET N N 41 119.300 119.300 117.993 1.307 19328 5243 1 19 . 1 1 41 41 MET HA H 41 4.260 4.260 4.172 0.088 19328 5244 1 19 . 1 1 41 41 MET C C 41 178.200 178.200 178.362 -0.162 19328 5245 1 19 . 1 1 41 41 MET CA C 41 57.300 57.300 57.792 -0.492 19328 5246 1 19 . 1 1 41 41 MET CB C 41 33.400 33.400 31.589 1.811 19328 5247 1 19 . 1 1 42 42 ALA N N 42 121.900 121.900 121.286 0.614 19328 5248 1 19 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.326 -0.186 19328 5249 1 19 . 1 1 42 42 ALA C C 42 179.100 179.100 179.703 -0.603 19328 5250 1 19 . 1 1 42 42 ALA CA C 42 54.400 54.400 54.717 -0.317 19328 5251 1 19 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.350 0.250 19328 5252 1 19 . 1 1 43 43 GLU N N 43 115.100 115.100 117.622 -2.522 19328 5253 1 19 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.186 0.144 19328 5254 1 19 . 1 1 43 43 GLU C C 43 177.600 177.600 178.432 -0.832 19328 5255 1 19 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.282 -0.782 19328 5256 1 19 . 1 1 43 43 GLU CB C 43 30.200 30.200 29.654 0.546 19328 5257 1 19 . 1 1 44 44 LYS N N 44 117.600 117.600 119.254 -1.654 19328 5258 1 19 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.196 0.134 19328 5259 1 19 . 1 1 44 44 LYS C C 44 176.200 176.200 176.562 -0.362 19328 5260 1 19 . 1 1 44 44 LYS CA C 44 57.500 57.500 57.848 -0.348 19328 5261 1 19 . 1 1 44 44 LYS CB C 44 34.400 34.400 33.830 0.570 19328 5262 1 19 . 1 1 45 45 GLU N N 45 118.200 118.200 115.948 2.252 19328 5263 1 19 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.552 0.078 19328 5264 1 19 . 1 1 45 45 GLU C C 45 175.400 175.400 174.133 1.267 19328 5265 1 19 . 1 1 45 45 GLU CA C 45 54.900 54.900 54.969 -0.069 19328 5266 1 19 . 1 1 45 45 GLU CB C 45 32.020 32.020 32.571 -0.551 19328 5267 1 19 . 1 1 46 46 ASP N N 46 121.600 121.600 120.907 0.693 19328 5268 1 19 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.625 0.155 19328 5269 1 19 . 1 1 46 46 ASP C C 46 175.900 175.900 175.799 0.101 19328 5270 1 19 . 1 1 46 46 ASP CA C 46 54.200 54.200 54.433 -0.233 19328 5271 1 19 . 1 1 46 46 ASP CB C 46 41.000 41.000 41.533 -0.534 19328 5272 1 19 . 1 1 47 47 TYR N N 47 124.600 124.600 121.537 3.063 19328 5273 1 19 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.424 0.126 19328 5274 1 19 . 1 1 47 47 TYR C C 47 172.200 172.200 174.012 -1.812 19328 5275 1 19 . 1 1 47 47 TYR CA C 47 58.000 58.000 58.593 -0.593 19328 5276 1 19 . 1 1 47 47 TYR CB C 47 39.800 39.800 38.953 0.847 19328 5277 1 19 . 1 1 48 48 ILE N N 48 128.000 128.000 125.594 2.406 19328 5278 1 19 . 1 1 48 48 ILE HA H 48 4.470 4.470 4.450 0.020 19328 5279 1 19 . 1 1 48 48 ILE C C 48 174.800 174.800 175.388 -0.588 19328 5280 1 19 . 1 1 48 48 ILE CA C 48 58.600 58.600 59.090 -0.490 19328 5281 1 19 . 1 1 48 48 ILE CB C 48 38.300 38.300 39.356 -1.056 19328 5282 1 19 . 1 1 49 49 CYS N N 49 130.100 130.100 125.548 4.552 19328 5283 1 19 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.095 0.065 19328 5284 1 19 . 1 1 49 49 CYS C C 49 176.400 176.400 176.438 -0.038 19328 5285 1 19 . 1 1 49 49 CYS CA C 49 58.500 58.500 59.222 -0.722 19328 5286 1 19 . 1 1 49 49 CYS CB C 49 31.800 31.800 27.601 4.199 19328 5287 1 19 . 1 1 50 50 VAL N N 50 116.100 116.100 121.136 -5.036 19328 5288 1 19 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.639 0.161 19328 5289 1 19 . 1 1 50 50 VAL C C 50 177.900 177.900 177.793 0.107 19328 5290 1 19 . 1 1 50 50 VAL CA C 50 65.300 65.300 67.525 -2.225 19328 5291 1 19 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.826 -0.027 19328 5292 1 19 . 1 1 51 51 ARG N N 51 121.800 121.800 119.822 1.978 19328 5293 1 19 . 1 1 51 51 ARG HA H 51 4.240 4.240 3.998 0.242 19328 5294 1 19 . 1 1 51 51 ARG C C 51 178.900 178.900 178.310 0.590 19328 5295 1 19 . 1 1 51 51 ARG CA C 51 59.000 59.000 58.956 0.044 19328 5296 1 19 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.008 1.292 19328 5297 1 19 . 1 1 52 52 CYS N N 52 123.700 123.700 116.419 7.281 19328 5298 1 19 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.217 -0.197 19328 5299 1 19 . 1 1 52 52 CYS C C 52 176.500 176.500 176.869 -0.369 19328 5300 1 19 . 1 1 52 52 CYS CA C 52 63.400 63.400 62.102 1.298 19328 5301 1 19 . 1 1 52 52 CYS CB C 52 30.100 30.100 25.794 4.306 19328 5302 1 19 . 1 1 53 53 THR N N 53 115.800 115.800 113.651 2.149 19328 5303 1 19 . 1 1 53 53 THR HA H 53 3.860 3.860 4.120 -0.260 19328 5304 1 19 . 1 1 53 53 THR C C 53 174.900 174.900 176.215 -1.315 19328 5305 1 19 . 1 1 53 53 THR CA C 53 65.200 65.200 65.890 -0.690 19328 5306 1 19 . 1 1 53 53 THR CB C 53 69.400 69.400 68.645 0.755 19328 5307 1 19 . 1 1 54 54 VAL N N 54 120.900 120.900 120.746 0.154 19328 5308 1 19 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.733 0.287 19328 5309 1 19 . 1 1 54 54 VAL C C 54 176.600 176.600 177.642 -1.042 19328 5310 1 19 . 1 1 54 54 VAL CA C 54 63.200 63.200 65.321 -2.121 19328 5311 1 19 . 1 1 54 54 VAL CB C 54 32.400 32.400 31.576 0.824 19328 5312 1 19 . 1 1 55 55 LYS N N 55 123.100 123.100 119.442 3.658 19328 5313 1 19 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.124 0.086 19328 5314 1 19 . 1 1 55 55 LYS C C 55 176.700 176.700 177.110 -0.410 19328 5315 1 19 . 1 1 55 55 LYS CA C 55 57.200 57.200 58.646 -1.446 19328 5316 1 19 . 1 1 55 55 LYS CB C 55 33.100 33.100 32.619 0.481 19328 5317 1 19 . 1 1 56 56 ASP N N 56 119.600 119.600 114.152 5.448 19328 5318 1 19 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.522 0.058 19328 5319 1 19 . 1 1 56 56 ASP C C 56 175.600 175.600 175.342 0.258 19328 5320 1 19 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.385 -0.085 19328 5321 1 19 . 1 1 56 56 ASP CB C 56 40.800 40.800 42.250 -1.450 19328 5322 1 19 . 1 1 57 57 ALA N N 57 124.700 124.700 123.727 0.973 19328 5323 1 19 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.106 0.434 19328 5324 1 19 . 1 1 57 57 ALA CA C 57 51.100 51.100 52.264 -1.164 19328 5325 1 19 . 1 1 57 57 ALA CB C 57 18.200 18.200 17.415 0.785 19328 5326 1 19 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.629 -0.179 19328 5327 1 19 . 1 1 58 58 PRO C C 58 177.100 177.100 176.987 0.113 19328 5328 1 19 . 1 1 58 58 PRO CA C 58 63.500 63.500 62.080 1.420 19328 5329 1 19 . 1 1 58 58 PRO CB C 58 31.900 31.900 33.359 -1.459 19328 5330 1 19 . 1 1 59 59 SER N N 59 115.500 115.500 115.499 0.001 19328 5331 1 19 . 1 1 59 59 SER HA H 59 4.430 4.430 4.257 0.173 19328 5332 1 19 . 1 1 59 59 SER C C 59 174.500 174.500 175.503 -1.003 19328 5333 1 19 . 1 1 59 59 SER CA C 59 58.300 58.300 59.122 -0.822 19328 5334 1 19 . 1 1 59 59 SER CB C 59 63.700 63.700 63.680 0.020 19328 5335 1 19 . 1 1 60 60 ARG N N 60 123.600 123.600 118.790 4.810 19328 5336 1 19 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.382 0.008 19328 5337 1 19 . 1 1 60 60 ARG C C 60 175.300 175.300 175.043 0.257 19328 5338 1 19 . 1 1 60 60 ARG CA C 60 55.900 55.900 56.365 -0.465 19328 5339 1 19 . 1 1 60 60 ARG CB C 60 30.800 30.800 31.197 -0.397 19328 5340 1 20 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.809 0.011 19328 5341 1 20 . 1 1 2 2 HIS C C 2 174.000 174.000 175.877 -1.877 19328 5342 1 20 . 1 1 2 2 HIS CA C 2 55.800 55.800 55.656 0.144 19328 5343 1 20 . 1 1 2 2 HIS CB C 2 30.400 30.400 31.219 -0.819 19328 5344 1 20 . 1 1 3 3 MET N N 3 121.100 121.100 117.539 3.561 19328 5345 1 20 . 1 1 3 3 MET HA H 3 5.220 5.220 3.969 1.251 19328 5346 1 20 . 1 1 3 3 MET C C 3 176.100 176.100 173.735 2.365 19328 5347 1 20 . 1 1 3 3 MET CA C 3 55.800 55.800 57.829 -2.029 19328 5348 1 20 . 1 1 3 3 MET CB C 3 34.500 34.500 32.382 2.118 19328 5349 1 20 . 1 1 4 4 CYS N N 4 129.800 129.800 118.806 10.994 19328 5350 1 20 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.950 0.280 19328 5351 1 20 . 1 1 4 4 CYS CA C 4 57.000 57.000 57.660 -0.660 19328 5352 1 20 . 1 1 4 4 CYS CB C 4 30.200 30.200 28.336 1.864 19328 5353 1 20 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.498 0.282 19328 5354 1 20 . 1 1 5 5 PRO C C 5 176.800 176.800 175.644 1.156 19328 5355 1 20 . 1 1 5 5 PRO CA C 5 63.300 63.300 62.650 0.650 19328 5356 1 20 . 1 1 5 5 PRO CB C 5 30.100 30.100 30.209 -0.109 19328 5357 1 20 . 1 1 6 6 ALA N N 6 125.200 125.200 122.865 2.335 19328 5358 1 20 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.360 0.120 19328 5359 1 20 . 1 1 6 6 ALA C C 6 176.800 176.800 177.869 -1.069 19328 5360 1 20 . 1 1 6 6 ALA CA C 6 53.300 53.300 51.629 1.671 19328 5361 1 20 . 1 1 6 6 ALA CB C 6 20.200 20.200 19.689 0.511 19328 5362 1 20 . 1 1 7 7 VAL N N 7 121.500 121.500 120.852 0.648 19328 5363 1 20 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.800 -0.070 19328 5364 1 20 . 1 1 7 7 VAL C C 7 177.600 177.600 176.550 1.050 19328 5365 1 20 . 1 1 7 7 VAL CA C 7 66.300 66.300 64.544 1.756 19328 5366 1 20 . 1 1 7 7 VAL CB C 7 31.300 31.300 31.980 -0.680 19328 5367 1 20 . 1 1 8 8 SER N N 8 113.200 113.200 114.501 -1.301 19328 5368 1 20 . 1 1 8 8 SER HA H 8 4.550 4.550 4.515 0.035 19328 5369 1 20 . 1 1 8 8 SER C C 8 172.900 172.900 173.228 -0.328 19328 5370 1 20 . 1 1 8 8 SER CA C 8 56.700 56.700 56.858 -0.158 19328 5371 1 20 . 1 1 8 8 SER CB C 8 63.300 63.300 61.882 1.418 19328 5372 1 20 . 1 1 9 9 CYS N N 9 126.000 126.000 125.603 0.397 19328 5373 1 20 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.667 0.593 19328 5374 1 20 . 1 1 9 9 CYS C C 9 177.300 177.300 174.963 2.337 19328 5375 1 20 . 1 1 9 9 CYS CA C 9 58.200 58.200 57.154 1.046 19328 5376 1 20 . 1 1 9 9 CYS CB C 9 29.600 29.600 25.437 4.163 19328 5377 1 20 . 1 1 10 10 LEU N N 10 135.700 135.700 127.360 8.340 19328 5378 1 20 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.238 -0.058 19328 5379 1 20 . 1 1 10 10 LEU C C 10 176.300 176.300 176.214 0.086 19328 5380 1 20 . 1 1 10 10 LEU CA C 10 55.900 55.900 55.672 0.228 19328 5381 1 20 . 1 1 10 10 LEU CB C 10 41.500 41.500 42.803 -1.303 19328 5382 1 20 . 1 1 11 11 GLN N N 11 120.100 120.100 121.687 -1.587 19328 5383 1 20 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.863 -0.993 19328 5384 1 20 . 1 1 11 11 GLN CA C 11 55.400 55.400 53.359 2.041 19328 5385 1 20 . 1 1 11 11 GLN CB C 11 28.100 28.100 28.193 -0.093 19328 5386 1 20 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.699 -0.469 19328 5387 1 20 . 1 1 12 12 PRO C C 12 176.700 176.700 176.612 0.088 19328 5388 1 20 . 1 1 12 12 PRO CA C 12 62.700 62.700 62.694 0.006 19328 5389 1 20 . 1 1 12 12 PRO CB C 12 31.300 31.300 32.329 -1.029 19328 5390 1 20 . 1 1 13 13 GLU N N 13 120.800 120.800 122.674 -1.874 19328 5391 1 20 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.456 -0.116 19328 5392 1 20 . 1 1 13 13 GLU C C 13 176.700 176.700 176.862 -0.162 19328 5393 1 20 . 1 1 13 13 GLU CA C 13 55.600 55.600 56.006 -0.406 19328 5394 1 20 . 1 1 13 13 GLU CB C 13 32.100 32.100 30.072 2.028 19328 5395 1 20 . 1 1 14 14 GLY N N 14 109.000 109.000 109.960 -0.960 19328 5396 1 20 . 1 1 14 14 GLY C C 14 174.100 174.100 174.631 -0.531 19328 5397 1 20 . 1 1 14 14 GLY CA C 14 44.800 44.800 44.311 0.489 19328 5398 1 20 . 1 1 15 15 ASP N N 15 118.800 118.800 118.597 0.203 19328 5399 1 20 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.324 0.356 19328 5400 1 20 . 1 1 15 15 ASP C C 15 177.000 177.000 177.146 -0.146 19328 5401 1 20 . 1 1 15 15 ASP CA C 15 55.500 55.500 54.970 0.530 19328 5402 1 20 . 1 1 15 15 ASP CB C 15 41.400 41.400 40.988 0.412 19328 5403 1 20 . 1 1 16 16 GLU N N 16 120.100 120.100 119.225 0.875 19328 5404 1 20 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.078 0.482 19328 5405 1 20 . 1 1 16 16 GLU C C 16 175.400 175.400 177.376 -1.976 19328 5406 1 20 . 1 1 16 16 GLU CA C 16 55.600 55.600 57.725 -2.125 19328 5407 1 20 . 1 1 16 16 GLU CB C 16 29.200 29.200 29.528 -0.328 19328 5408 1 20 . 1 1 17 17 VAL N N 17 120.100 120.100 116.658 3.442 19328 5409 1 20 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.060 -0.100 19328 5410 1 20 . 1 1 17 17 VAL C C 17 174.500 174.500 175.337 -0.837 19328 5411 1 20 . 1 1 17 17 VAL CA C 17 61.600 61.600 61.252 0.348 19328 5412 1 20 . 1 1 17 17 VAL CB C 17 33.200 33.200 31.107 2.093 19328 5413 1 20 . 1 1 18 18 ASP N N 18 122.700 122.700 125.098 -2.398 19328 5414 1 20 . 1 1 18 18 ASP HA H 18 5.130 5.130 4.347 0.783 19328 5415 1 20 . 1 1 18 18 ASP C C 18 176.900 176.900 176.014 0.886 19328 5416 1 20 . 1 1 18 18 ASP CA C 18 54.200 54.200 54.512 -0.312 19328 5417 1 20 . 1 1 18 18 ASP CB C 18 42.500 42.500 42.599 -0.099 19328 5418 1 20 . 1 1 19 19 TRP N N 19 124.200 124.200 122.588 1.612 19328 5419 1 20 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.278 0.362 19328 5420 1 20 . 1 1 19 19 TRP C C 19 176.200 176.200 176.205 -0.005 19328 5421 1 20 . 1 1 19 19 TRP CA C 19 57.300 57.300 55.630 1.671 19328 5422 1 20 . 1 1 19 19 TRP CB C 19 34.100 34.100 31.322 2.778 19328 5423 1 20 . 1 1 20 20 VAL N N 20 121.500 121.500 119.983 1.517 19328 5424 1 20 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.381 0.419 19328 5425 1 20 . 1 1 20 20 VAL C C 20 170.800 170.800 174.299 -3.499 19328 5426 1 20 . 1 1 20 20 VAL CA C 20 60.600 60.600 59.995 0.605 19328 5427 1 20 . 1 1 20 20 VAL CB C 20 35.300 35.300 35.692 -0.392 19328 5428 1 20 . 1 1 21 21 GLN N N 21 131.300 131.300 127.603 3.697 19328 5429 1 20 . 1 1 21 21 GLN HA H 21 4.480 4.480 3.724 0.756 19328 5430 1 20 . 1 1 21 21 GLN C C 21 175.300 175.300 175.135 0.165 19328 5431 1 20 . 1 1 21 21 GLN CA C 21 53.600 53.600 56.274 -2.674 19328 5432 1 20 . 1 1 21 21 GLN CB C 21 28.300 28.300 28.448 -0.148 19328 5433 1 20 . 1 1 22 22 CYS N N 22 127.400 127.400 127.437 -0.037 19328 5434 1 20 . 1 1 22 22 CYS HA H 22 4.500 4.500 4.616 -0.116 19328 5435 1 20 . 1 1 22 22 CYS C C 22 176.100 176.100 176.104 -0.004 19328 5436 1 20 . 1 1 22 22 CYS CA C 22 60.600 60.600 60.328 0.272 19328 5437 1 20 . 1 1 22 22 CYS CB C 22 31.300 31.300 27.145 4.155 19328 5438 1 20 . 1 1 23 23 ASP N N 23 129.200 129.200 119.846 9.354 19328 5439 1 20 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.278 0.532 19328 5440 1 20 . 1 1 23 23 ASP C C 23 176.700 176.700 176.471 0.229 19328 5441 1 20 . 1 1 23 23 ASP CA C 23 55.300 55.300 56.452 -1.152 19328 5442 1 20 . 1 1 23 23 ASP CB C 23 41.300 41.300 39.765 1.535 19328 5443 1 20 . 1 1 24 24 GLY N N 24 116.300 116.300 109.206 7.094 19328 5444 1 20 . 1 1 24 24 GLY C C 24 173.700 173.700 174.871 -1.171 19328 5445 1 20 . 1 1 24 24 GLY CA C 24 43.700 43.700 46.502 -2.801 19328 5446 1 20 . 1 1 25 25 SER N N 25 116.500 116.500 117.919 -1.419 19328 5447 1 20 . 1 1 25 25 SER HA H 25 4.180 4.180 4.163 0.017 19328 5448 1 20 . 1 1 25 25 SER C C 25 176.600 176.600 174.601 1.999 19328 5449 1 20 . 1 1 25 25 SER CA C 25 61.000 61.000 59.265 1.735 19328 5450 1 20 . 1 1 25 25 SER CB C 25 63.700 63.700 63.150 0.550 19328 5451 1 20 . 1 1 26 26 CYS N N 26 122.000 122.000 114.816 7.184 19328 5452 1 20 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.804 -0.404 19328 5453 1 20 . 1 1 26 26 CYS C C 26 176.500 176.500 175.604 0.896 19328 5454 1 20 . 1 1 26 26 CYS CA C 26 60.800 60.800 59.545 1.255 19328 5455 1 20 . 1 1 26 26 CYS CB C 26 29.600 29.600 29.668 -0.068 19328 5456 1 20 . 1 1 27 27 ASN N N 27 117.000 117.000 119.681 -2.681 19328 5457 1 20 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.539 0.281 19328 5458 1 20 . 1 1 27 27 ASN C C 27 174.900 174.900 174.329 0.571 19328 5459 1 20 . 1 1 27 27 ASN CA C 27 54.800 54.800 55.643 -0.843 19328 5460 1 20 . 1 1 27 27 ASN CB C 27 39.500 39.500 37.042 2.458 19328 5461 1 20 . 1 1 28 28 GLN N N 28 120.700 120.700 120.426 0.274 19328 5462 1 20 . 1 1 28 28 GLN HA H 28 4.360 4.360 3.916 0.444 19328 5463 1 20 . 1 1 28 28 GLN C C 28 174.600 174.600 176.319 -1.719 19328 5464 1 20 . 1 1 28 28 GLN CA C 28 57.100 57.100 57.124 -0.024 19328 5465 1 20 . 1 1 28 28 GLN CB C 28 31.500 31.500 27.118 4.382 19328 5466 1 20 . 1 1 29 29 TRP N N 29 119.600 119.600 123.971 -4.371 19328 5467 1 20 . 1 1 29 29 TRP HA H 29 4.950 4.950 4.593 0.357 19328 5468 1 20 . 1 1 29 29 TRP C C 29 175.400 175.400 175.939 -0.539 19328 5469 1 20 . 1 1 29 29 TRP CA C 29 57.100 57.100 57.042 0.058 19328 5470 1 20 . 1 1 29 29 TRP CB C 29 30.500 30.500 29.161 1.339 19328 5471 1 20 . 1 1 30 30 PHE N N 30 119.600 119.600 122.118 -2.518 19328 5472 1 20 . 1 1 30 30 PHE HA H 30 4.830 4.830 5.022 -0.192 19328 5473 1 20 . 1 1 30 30 PHE C C 30 176.600 176.600 175.355 1.245 19328 5474 1 20 . 1 1 30 30 PHE CA C 30 56.400 56.400 56.030 0.370 19328 5475 1 20 . 1 1 30 30 PHE CB C 30 43.000 43.000 41.919 1.081 19328 5476 1 20 . 1 1 31 31 HIS N N 31 123.600 123.600 117.015 6.585 19328 5477 1 20 . 1 1 31 31 HIS HA H 31 4.230 4.230 5.283 -1.053 19328 5478 1 20 . 1 1 31 31 HIS C C 31 177.400 177.400 176.020 1.380 19328 5479 1 20 . 1 1 31 31 HIS CA C 31 57.100 57.100 54.267 2.833 19328 5480 1 20 . 1 1 31 31 HIS CB C 31 29.800 29.800 32.084 -2.284 19328 5481 1 20 . 1 1 32 32 GLN N N 32 124.100 124.100 121.908 2.192 19328 5482 1 20 . 1 1 32 32 GLN HA H 32 3.520 3.520 4.121 -0.601 19328 5483 1 20 . 1 1 32 32 GLN C C 32 179.100 179.100 177.688 1.412 19328 5484 1 20 . 1 1 32 32 GLN CA C 32 60.600 60.600 59.996 0.604 19328 5485 1 20 . 1 1 32 32 GLN CB C 32 26.900 26.900 29.134 -2.234 19328 5486 1 20 . 1 1 33 33 VAL N N 33 112.800 112.800 111.876 0.924 19328 5487 1 20 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.889 0.181 19328 5488 1 20 . 1 1 33 33 VAL C C 33 178.200 178.200 176.620 1.580 19328 5489 1 20 . 1 1 33 33 VAL CA C 33 64.400 64.400 64.570 -0.170 19328 5490 1 20 . 1 1 33 33 VAL CB C 33 31.600 31.600 31.276 0.324 19328 5491 1 20 . 1 1 34 34 CYS N N 34 120.900 120.900 118.330 2.570 19328 5492 1 20 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.204 -0.124 19328 5493 1 20 . 1 1 34 34 CYS C C 34 177.100 177.100 176.083 1.017 19328 5494 1 20 . 1 1 34 34 CYS CA C 34 62.500 62.500 60.940 1.560 19328 5495 1 20 . 1 1 34 34 CYS CB C 34 29.500 29.500 26.226 3.274 19328 5496 1 20 . 1 1 35 35 VAL N N 35 106.500 106.500 113.351 -6.851 19328 5497 1 20 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.359 0.201 19328 5498 1 20 . 1 1 35 35 VAL C C 35 176.200 176.200 176.444 -0.244 19328 5499 1 20 . 1 1 35 35 VAL CA C 35 60.100 60.100 61.292 -1.192 19328 5500 1 20 . 1 1 35 35 VAL CB C 35 31.800 31.800 32.404 -0.604 19328 5501 1 20 . 1 1 36 36 GLY N N 36 109.800 109.800 108.993 0.807 19328 5502 1 20 . 1 1 36 36 GLY C C 36 174.600 174.600 174.404 0.196 19328 5503 1 20 . 1 1 36 36 GLY CA C 36 46.900 46.900 45.708 1.192 19328 5504 1 20 . 1 1 37 37 VAL N N 37 119.000 119.000 120.913 -1.913 19328 5505 1 20 . 1 1 37 37 VAL HA H 37 4.330 4.330 4.180 0.150 19328 5506 1 20 . 1 1 37 37 VAL C C 37 174.000 174.000 175.181 -1.181 19328 5507 1 20 . 1 1 37 37 VAL CA C 37 60.800 60.800 61.344 -0.544 19328 5508 1 20 . 1 1 37 37 VAL CB C 37 34.200 34.200 32.354 1.846 19328 5509 1 20 . 1 1 38 38 SER N N 38 122.000 122.000 124.854 -2.854 19328 5510 1 20 . 1 1 38 38 SER HA H 38 4.900 4.900 4.596 0.304 19328 5511 1 20 . 1 1 38 38 SER C C 38 174.100 174.100 173.891 0.209 19328 5512 1 20 . 1 1 38 38 SER CA C 38 55.500 55.500 56.639 -1.139 19328 5513 1 20 . 1 1 38 38 SER CB C 38 63.800 63.800 62.251 1.550 19328 5514 1 20 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.114 0.246 19328 5515 1 20 . 1 1 39 39 PRO C C 39 179.300 179.300 178.909 0.391 19328 5516 1 20 . 1 1 39 39 PRO CA C 39 65.600 65.600 66.156 -0.556 19328 5517 1 20 . 1 1 39 39 PRO CB C 39 31.900 31.900 31.962 -0.062 19328 5518 1 20 . 1 1 40 40 GLU N N 40 116.600 116.600 116.249 0.351 19328 5519 1 20 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.103 0.057 19328 5520 1 20 . 1 1 40 40 GLU C C 40 178.500 178.500 178.643 -0.143 19328 5521 1 20 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.385 -0.285 19328 5522 1 20 . 1 1 40 40 GLU CB C 40 29.200 29.200 29.285 -0.085 19328 5523 1 20 . 1 1 41 41 MET N N 41 119.300 119.300 118.828 0.472 19328 5524 1 20 . 1 1 41 41 MET HA H 41 4.260 4.260 4.304 -0.044 19328 5525 1 20 . 1 1 41 41 MET C C 41 178.200 178.200 178.776 -0.576 19328 5526 1 20 . 1 1 41 41 MET CA C 41 57.300 57.300 57.710 -0.410 19328 5527 1 20 . 1 1 41 41 MET CB C 41 33.400 33.400 32.194 1.206 19328 5528 1 20 . 1 1 42 42 ALA N N 42 121.900 121.900 121.085 0.815 19328 5529 1 20 . 1 1 42 42 ALA HA H 42 4.140 4.140 3.828 0.312 19328 5530 1 20 . 1 1 42 42 ALA C C 42 179.100 179.100 178.871 0.229 19328 5531 1 20 . 1 1 42 42 ALA CA C 42 54.400 54.400 54.378 0.022 19328 5532 1 20 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.166 0.434 19328 5533 1 20 . 1 1 43 43 GLU N N 43 115.100 115.100 117.851 -2.751 19328 5534 1 20 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.096 0.234 19328 5535 1 20 . 1 1 43 43 GLU C C 43 177.600 177.600 177.892 -0.292 19328 5536 1 20 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.432 -0.932 19328 5537 1 20 . 1 1 43 43 GLU CB C 43 30.200 30.200 29.820 0.380 19328 5538 1 20 . 1 1 44 44 LYS N N 44 117.600 117.600 116.925 0.675 19328 5539 1 20 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.460 -0.130 19328 5540 1 20 . 1 1 44 44 LYS C C 44 176.200 176.200 176.511 -0.311 19328 5541 1 20 . 1 1 44 44 LYS CA C 44 57.500 57.500 57.253 0.247 19328 5542 1 20 . 1 1 44 44 LYS CB C 44 34.400 34.400 34.907 -0.507 19328 5543 1 20 . 1 1 45 45 GLU N N 45 118.200 118.200 118.184 0.016 19328 5544 1 20 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.586 0.044 19328 5545 1 20 . 1 1 45 45 GLU C C 45 175.400 175.400 174.463 0.937 19328 5546 1 20 . 1 1 45 45 GLU CA C 45 54.900 54.900 55.847 -0.947 19328 5547 1 20 . 1 1 45 45 GLU CB C 45 32.020 32.020 33.104 -1.084 19328 5548 1 20 . 1 1 46 46 ASP N N 46 121.600 121.600 120.438 1.162 19328 5549 1 20 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.243 0.537 19328 5550 1 20 . 1 1 46 46 ASP C C 46 175.900 175.900 174.205 1.695 19328 5551 1 20 . 1 1 46 46 ASP CA C 46 54.200 54.200 55.054 -0.854 19328 5552 1 20 . 1 1 46 46 ASP CB C 46 41.000 41.000 40.429 0.571 19328 5553 1 20 . 1 1 47 47 TYR N N 47 124.600 124.600 113.620 10.980 19328 5554 1 20 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.766 -0.216 19328 5555 1 20 . 1 1 47 47 TYR C C 47 172.200 172.200 173.728 -1.528 19328 5556 1 20 . 1 1 47 47 TYR CA C 47 58.000 58.000 56.771 1.229 19328 5557 1 20 . 1 1 47 47 TYR CB C 47 39.800 39.800 38.694 1.106 19328 5558 1 20 . 1 1 48 48 ILE N N 48 128.000 128.000 123.185 4.815 19328 5559 1 20 . 1 1 48 48 ILE HA H 48 4.470 4.470 4.328 0.142 19328 5560 1 20 . 1 1 48 48 ILE C C 48 174.800 174.800 175.589 -0.789 19328 5561 1 20 . 1 1 48 48 ILE CA C 48 58.600 58.600 59.747 -1.147 19328 5562 1 20 . 1 1 48 48 ILE CB C 48 38.300 38.300 37.350 0.950 19328 5563 1 20 . 1 1 49 49 CYS N N 49 130.100 130.100 126.587 3.513 19328 5564 1 20 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.316 -0.156 19328 5565 1 20 . 1 1 49 49 CYS C C 49 176.400 176.400 177.036 -0.636 19328 5566 1 20 . 1 1 49 49 CYS CA C 49 58.500 58.500 58.535 -0.035 19328 5567 1 20 . 1 1 49 49 CYS CB C 49 31.800 31.800 28.110 3.690 19328 5568 1 20 . 1 1 50 50 VAL N N 50 116.100 116.100 124.563 -8.463 19328 5569 1 20 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.670 0.130 19328 5570 1 20 . 1 1 50 50 VAL C C 50 177.900 177.900 178.288 -0.388 19328 5571 1 20 . 1 1 50 50 VAL CA C 50 65.300 65.300 65.927 -0.627 19328 5572 1 20 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.254 0.546 19328 5573 1 20 . 1 1 51 51 ARG N N 51 121.800 121.800 119.730 2.070 19328 5574 1 20 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.154 0.086 19328 5575 1 20 . 1 1 51 51 ARG C C 51 178.900 178.900 178.997 -0.097 19328 5576 1 20 . 1 1 51 51 ARG CA C 51 59.000 59.000 59.068 -0.068 19328 5577 1 20 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.698 0.602 19328 5578 1 20 . 1 1 52 52 CYS N N 52 123.700 123.700 116.844 6.856 19328 5579 1 20 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.412 -0.392 19328 5580 1 20 . 1 1 52 52 CYS C C 52 176.500 176.500 175.710 0.790 19328 5581 1 20 . 1 1 52 52 CYS CA C 52 63.400 63.400 60.965 2.435 19328 5582 1 20 . 1 1 52 52 CYS CB C 52 30.100 30.100 26.245 3.855 19328 5583 1 20 . 1 1 53 53 THR N N 53 115.800 115.800 115.040 0.760 19328 5584 1 20 . 1 1 53 53 THR HA H 53 3.860 3.860 4.068 -0.208 19328 5585 1 20 . 1 1 53 53 THR C C 53 174.900 174.900 176.421 -1.521 19328 5586 1 20 . 1 1 53 53 THR CA C 53 65.200 65.200 65.374 -0.174 19328 5587 1 20 . 1 1 53 53 THR CB C 53 69.400 69.400 68.689 0.711 19328 5588 1 20 . 1 1 54 54 VAL N N 54 120.900 120.900 121.923 -1.023 19328 5589 1 20 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.875 0.145 19328 5590 1 20 . 1 1 54 54 VAL C C 54 176.600 176.600 176.804 -0.204 19328 5591 1 20 . 1 1 54 54 VAL CA C 54 63.200 63.200 65.530 -2.330 19328 5592 1 20 . 1 1 54 54 VAL CB C 54 32.400 32.400 31.647 0.753 19328 5593 1 20 . 1 1 55 55 LYS N N 55 123.100 123.100 119.992 3.108 19328 5594 1 20 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.361 -0.151 19328 5595 1 20 . 1 1 55 55 LYS C C 55 176.700 176.700 175.395 1.305 19328 5596 1 20 . 1 1 55 55 LYS CA C 55 57.200 57.200 55.806 1.394 19328 5597 1 20 . 1 1 55 55 LYS CB C 55 33.100 33.100 31.038 2.062 19328 5598 1 20 . 1 1 56 56 ASP N N 56 119.600 119.600 120.775 -1.175 19328 5599 1 20 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.653 -0.073 19328 5600 1 20 . 1 1 56 56 ASP C C 56 175.600 175.600 175.462 0.138 19328 5601 1 20 . 1 1 56 56 ASP CA C 56 54.300 54.300 53.527 0.773 19328 5602 1 20 . 1 1 56 56 ASP CB C 56 40.800 40.800 41.237 -0.438 19328 5603 1 20 . 1 1 57 57 ALA N N 57 124.700 124.700 122.582 2.118 19328 5604 1 20 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.133 0.407 19328 5605 1 20 . 1 1 57 57 ALA CA C 57 51.100 51.100 51.746 -0.646 19328 5606 1 20 . 1 1 57 57 ALA CB C 57 18.200 18.200 17.508 0.693 19328 5607 1 20 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.639 -0.189 19328 5608 1 20 . 1 1 58 58 PRO C C 58 177.100 177.100 177.415 -0.315 19328 5609 1 20 . 1 1 58 58 PRO CA C 58 63.500 63.500 62.361 1.139 19328 5610 1 20 . 1 1 58 58 PRO CB C 58 31.900 31.900 32.385 -0.485 19328 5611 1 20 . 1 1 59 59 SER N N 59 115.500 115.500 115.693 -0.193 19328 5612 1 20 . 1 1 59 59 SER HA H 59 4.430 4.430 4.354 0.076 19328 5613 1 20 . 1 1 59 59 SER C C 59 174.500 174.500 174.401 0.099 19328 5614 1 20 . 1 1 59 59 SER CA C 59 58.300 58.300 59.786 -1.486 19328 5615 1 20 . 1 1 59 59 SER CB C 59 63.700 63.700 63.322 0.378 19328 5616 1 20 . 1 1 60 60 ARG N N 60 123.600 123.600 121.598 2.002 19328 5617 1 20 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.429 -0.039 19328 5618 1 20 . 1 1 60 60 ARG C C 60 175.300 175.300 175.414 -0.114 19328 5619 1 20 . 1 1 60 60 ARG CA C 60 55.900 55.900 55.531 0.369 19328 5620 1 20 . 1 1 60 60 ARG CB C 60 30.800 30.800 30.120 0.680 19328 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 54 3.535 -0.897 3.451 19328 2 1 1 "Average Difference" HA 59 0.311 -0.077 0.304 19328 3 1 1 "Average Difference" C 56 1.128 -0.099 1.134 19328 4 1 1 "Average Difference" CA 59 1.406 -0.081 1.416 19328 5 1 1 "Average Difference" CB 56 1.664 -0.745 1.502 19328 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 19328 7 1 2 "Average Difference" N 54 3.972 -1.178 3.829 19328 8 1 2 "Average Difference" HA 59 0.347 -0.051 0.346 19328 9 1 2 "Average Difference" C 56 1.171 -0.061 1.180 19328 10 1 2 "Average Difference" CA 59 1.385 0.022 1.397 19328 11 1 2 "Average Difference" CB 56 1.535 -0.608 1.422 19328 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 19328 13 1 3 "Average Difference" N 54 4.308 -1.987 3.858 19328 14 1 3 "Average Difference" HA 59 0.384 -0.126 0.366 19328 15 1 3 "Average Difference" C 56 1.221 -0.207 1.214 19328 16 1 3 "Average Difference" CA 59 1.470 0.076 1.481 19328 17 1 3 "Average Difference" CB 56 1.540 -0.631 1.418 19328 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 19328 19 1 4 "Average Difference" N 54 3.970 -1.476 3.720 19328 20 1 4 "Average Difference" HA 59 0.332 -0.087 0.323 19328 21 1 4 "Average Difference" C 56 1.094 -0.155 1.092 19328 22 1 4 "Average Difference" CA 59 1.343 -0.044 1.353 19328 23 1 4 "Average Difference" CB 56 1.605 -0.694 1.461 19328 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 19328 25 1 5 "Average Difference" N 54 3.999 -0.914 3.930 19328 26 1 5 "Average Difference" HA 59 0.344 -0.123 0.324 19328 27 1 5 "Average Difference" C 56 1.126 -0.086 1.132 19328 28 1 5 "Average Difference" CA 59 1.276 -0.043 1.286 19328 29 1 5 "Average Difference" CB 56 2.033 -0.927 1.825 19328 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 19328 31 1 6 "Average Difference" N 54 3.646 -0.989 3.543 19328 32 1 6 "Average Difference" HA 59 0.342 -0.065 0.338 19328 33 1 6 "Average Difference" C 56 1.156 -0.190 1.150 19328 34 1 6 "Average Difference" CA 59 1.364 -0.239 1.354 19328 35 1 6 "Average Difference" CB 56 1.732 -0.738 1.581 19328 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 19328 37 1 7 "Average Difference" N 54 3.811 -0.924 3.732 19328 38 1 7 "Average Difference" HA 59 0.351 -0.093 0.341 19328 39 1 7 "Average Difference" C 56 1.260 -0.158 1.261 19328 40 1 7 "Average Difference" CA 59 1.232 -0.059 1.241 19328 41 1 7 "Average Difference" CB 56 1.549 -0.513 1.475 19328 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 19328 43 1 8 "Average Difference" N 54 3.568 -1.257 3.370 19328 44 1 8 "Average Difference" HA 59 0.363 -0.091 0.355 19328 45 1 8 "Average Difference" C 56 1.191 -0.145 1.193 19328 46 1 8 "Average Difference" CA 59 1.529 -0.136 1.536 19328 47 1 8 "Average Difference" CB 56 1.801 -0.729 1.662 19328 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 19328 49 1 9 "Average Difference" N 54 3.717 -1.317 3.508 19328 50 1 9 "Average Difference" HA 59 0.358 -0.096 0.348 19328 51 1 9 "Average Difference" C 56 1.212 -0.051 1.222 19328 52 1 9 "Average Difference" CA 59 1.373 -0.059 1.384 19328 53 1 9 "Average Difference" CB 56 1.739 -0.623 1.638 19328 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 19328 55 1 10 "Average Difference" N 54 4.042 -1.377 3.836 19328 56 1 10 "Average Difference" HA 59 0.315 -0.088 0.305 19328 57 1 10 "Average Difference" C 56 1.182 -0.016 1.192 19328 58 1 10 "Average Difference" CA 59 1.398 0.104 1.407 19328 59 1 10 "Average Difference" CB 56 1.778 -0.829 1.587 19328 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 19328 61 1 11 "Average Difference" N 54 3.262 -0.298 3.279 19328 62 1 11 "Average Difference" HA 59 0.316 -0.082 0.308 19328 63 1 11 "Average Difference" C 56 1.087 -0.025 1.097 19328 64 1 11 "Average Difference" CA 59 1.274 -0.046 1.284 19328 65 1 11 "Average Difference" CB 56 1.617 -0.765 1.438 19328 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 19328 67 1 12 "Average Difference" N 54 4.208 -1.132 4.091 19328 68 1 12 "Average Difference" HA 59 0.365 -0.111 0.350 19328 69 1 12 "Average Difference" C 56 1.071 -0.095 1.077 19328 70 1 12 "Average Difference" CA 59 1.220 0.068 1.228 19328 71 1 12 "Average Difference" CB 56 1.685 -0.721 1.537 19328 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 19328 73 1 13 "Average Difference" N 54 3.611 -0.842 3.544 19328 74 1 13 "Average Difference" HA 59 0.369 -0.090 0.361 19328 75 1 13 "Average Difference" C 56 1.105 -0.248 1.086 19328 76 1 13 "Average Difference" CA 59 1.413 -0.149 1.417 19328 77 1 13 "Average Difference" CB 56 1.879 -0.828 1.702 19328 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 19328 79 1 14 "Average Difference" N 54 4.233 -1.095 4.128 19328 80 1 14 "Average Difference" HA 59 0.314 -0.115 0.295 19328 81 1 14 "Average Difference" C 56 1.139 -0.091 1.145 19328 82 1 14 "Average Difference" CA 59 1.157 0.098 1.162 19328 83 1 14 "Average Difference" CB 56 1.757 -0.762 1.598 19328 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 19328 85 1 15 "Average Difference" N 54 3.861 -1.385 3.638 19328 86 1 15 "Average Difference" HA 59 0.377 -0.016 0.380 19328 87 1 15 "Average Difference" C 56 1.100 -0.039 1.109 19328 88 1 15 "Average Difference" CA 59 1.336 -0.272 1.320 19328 89 1 15 "Average Difference" CB 56 1.740 -0.763 1.578 19328 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 19328 91 1 16 "Average Difference" N 54 4.577 -1.337 4.419 19328 92 1 16 "Average Difference" HA 59 0.348 -0.082 0.342 19328 93 1 16 "Average Difference" C 56 1.151 0.018 1.161 19328 94 1 16 "Average Difference" CA 59 1.190 0.010 1.200 19328 95 1 16 "Average Difference" CB 56 1.673 -0.797 1.484 19328 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 19328 97 1 17 "Average Difference" N 54 3.752 -0.594 3.739 19328 98 1 17 "Average Difference" HA 59 0.322 -0.085 0.313 19328 99 1 17 "Average Difference" C 56 1.203 -0.062 1.212 19328 100 1 17 "Average Difference" CA 59 1.225 -0.081 1.232 19328 101 1 17 "Average Difference" CB 56 1.740 -0.762 1.578 19328 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 19328 103 1 18 "Average Difference" N 54 3.753 -0.801 3.701 19328 104 1 18 "Average Difference" HA 59 0.355 -0.058 0.354 19328 105 1 18 "Average Difference" C 56 1.186 -0.198 1.180 19328 106 1 18 "Average Difference" CA 59 1.316 -0.193 1.313 19328 107 1 18 "Average Difference" CB 56 1.775 -0.792 1.603 19328 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 19328 109 1 19 "Average Difference" N 54 4.273 -1.540 4.023 19328 110 1 19 "Average Difference" HA 59 0.345 -0.102 0.332 19328 111 1 19 "Average Difference" C 56 1.027 -0.031 1.035 19328 112 1 19 "Average Difference" CA 59 1.186 0.047 1.195 19328 113 1 19 "Average Difference" CB 56 1.624 -0.661 1.497 19328 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 19328 115 1 20 "Average Difference" N 54 4.093 -1.295 3.919 19328 116 1 20 "Average Difference" HA 59 0.388 -0.085 0.382 19328 117 1 20 "Average Difference" C 56 1.113 -0.040 1.123 19328 118 1 20 "Average Difference" CA 59 1.209 -0.033 1.219 19328 119 1 20 "Average Difference" CB 56 1.717 -0.815 1.525 19328 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 19328 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 19328 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 HIS HA H 2 4.820 4.820 4.762 0.058 19328 2 1 . 1 1 2 2 HIS C C 2 174.000 174.000 174.807 -0.807 19328 3 1 . 1 1 2 2 HIS CA C 2 55.800 55.800 56.114 -0.314 19328 4 1 . 1 1 2 2 HIS CB C 2 30.400 30.400 30.216 0.184 19328 5 1 . 1 1 3 3 MET N N 3 121.100 121.100 120.895 0.205 19328 6 1 . 1 1 3 3 MET HA H 3 5.220 5.220 4.379 0.841 19328 7 1 . 1 1 3 3 MET C C 3 176.100 176.100 175.170 0.930 19328 8 1 . 1 1 3 3 MET CA C 3 55.800 55.800 55.881 -0.080 19328 9 1 . 1 1 3 3 MET CB C 3 34.500 34.500 32.560 1.940 19328 10 1 . 1 1 4 4 CYS N N 4 129.800 129.800 118.756 11.044 19328 11 1 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.612 0.618 19328 12 1 . 1 1 4 4 CYS CA C 4 57.000 57.000 57.016 -0.016 19328 13 1 . 1 1 4 4 CYS CB C 4 30.200 30.200 27.332 2.868 19328 14 1 . 1 1 5 5 PRO HA H 5 4.780 4.780 4.387 0.393 19328 15 1 . 1 1 5 5 PRO C C 5 176.800 176.800 176.080 0.720 19328 16 1 . 1 1 5 5 PRO CA C 5 63.300 63.300 63.504 -0.204 19328 17 1 . 1 1 5 5 PRO CB C 5 30.100 30.100 31.313 -1.214 19328 18 1 . 1 1 6 6 ALA N N 6 125.200 125.200 123.650 1.550 19328 19 1 . 1 1 6 6 ALA HA H 6 4.480 4.480 4.415 0.065 19328 20 1 . 1 1 6 6 ALA C C 6 176.800 176.800 177.653 -0.853 19328 21 1 . 1 1 6 6 ALA CA C 6 53.300 53.300 51.694 1.606 19328 22 1 . 1 1 6 6 ALA CB C 6 20.200 20.200 19.992 0.208 19328 23 1 . 1 1 7 7 VAL N N 7 121.500 121.500 118.653 2.847 19328 24 1 . 1 1 7 7 VAL HA H 7 3.730 3.730 3.808 -0.078 19328 25 1 . 1 1 7 7 VAL C C 7 177.600 177.600 176.542 1.058 19328 26 1 . 1 1 7 7 VAL CA C 7 66.300 66.300 64.250 2.050 19328 27 1 . 1 1 7 7 VAL CB C 7 31.300 31.300 31.678 -0.378 19328 28 1 . 1 1 8 8 SER N N 8 113.200 113.200 115.355 -2.155 19328 29 1 . 1 1 8 8 SER HA H 8 4.550 4.550 4.519 0.031 19328 30 1 . 1 1 8 8 SER C C 8 172.900 172.900 173.371 -0.471 19328 31 1 . 1 1 8 8 SER CA C 8 56.700 56.700 57.993 -1.293 19328 32 1 . 1 1 8 8 SER CB C 8 63.300 63.300 63.163 0.137 19328 33 1 . 1 1 9 9 CYS N N 9 126.000 126.000 124.440 1.560 19328 34 1 . 1 1 9 9 CYS HA H 9 5.260 5.260 4.598 0.662 19328 35 1 . 1 1 9 9 CYS C C 9 177.300 177.300 174.773 2.527 19328 36 1 . 1 1 9 9 CYS CA C 9 58.200 58.200 58.165 0.035 19328 37 1 . 1 1 9 9 CYS CB C 9 29.600 29.600 26.389 3.211 19328 38 1 . 1 1 10 10 LEU N N 10 135.700 135.700 127.463 8.237 19328 39 1 . 1 1 10 10 LEU HA H 10 4.180 4.180 4.252 -0.072 19328 40 1 . 1 1 10 10 LEU C C 10 176.300 176.300 176.447 -0.147 19328 41 1 . 1 1 10 10 LEU CA C 10 55.900 55.900 55.523 0.377 19328 42 1 . 1 1 10 10 LEU CB C 10 41.500 41.500 42.212 -0.712 19328 43 1 . 1 1 11 11 GLN N N 11 120.100 120.100 120.699 -0.599 19328 44 1 . 1 1 11 11 GLN HA H 11 3.870 3.870 4.459 -0.589 19328 45 1 . 1 1 11 11 GLN CA C 11 55.400 55.400 53.782 1.618 19328 46 1 . 1 1 11 11 GLN CB C 11 28.100 28.100 28.289 -0.189 19328 47 1 . 1 1 12 12 PRO HA H 12 4.230 4.230 4.537 -0.307 19328 48 1 . 1 1 12 12 PRO C C 12 176.700 176.700 176.583 0.117 19328 49 1 . 1 1 12 12 PRO CA C 12 62.700 62.700 62.624 0.076 19328 50 1 . 1 1 12 12 PRO CB C 12 31.300 31.300 32.413 -1.113 19328 51 1 . 1 1 13 13 GLU N N 13 120.800 120.800 120.918 -0.118 19328 52 1 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.287 0.053 19328 53 1 . 1 1 13 13 GLU C C 13 176.700 176.700 176.705 -0.005 19328 54 1 . 1 1 13 13 GLU CA C 13 55.600 55.600 56.473 -0.873 19328 55 1 . 1 1 13 13 GLU CB C 13 32.100 32.100 29.346 2.754 19328 56 1 . 1 1 14 14 GLY N N 14 109.000 109.000 111.100 -2.100 19328 57 1 . 1 1 14 14 GLY C C 14 174.100 174.100 173.843 0.257 19328 58 1 . 1 1 14 14 GLY CA C 14 44.800 44.800 44.980 -0.180 19328 59 1 . 1 1 15 15 ASP N N 15 118.800 118.800 121.500 -2.700 19328 60 1 . 1 1 15 15 ASP HA H 15 4.680 4.680 4.555 0.125 19328 61 1 . 1 1 15 15 ASP C C 15 177.000 177.000 176.601 0.399 19328 62 1 . 1 1 15 15 ASP CA C 15 55.500 55.500 54.894 0.606 19328 63 1 . 1 1 15 15 ASP CB C 15 41.400 41.400 40.933 0.467 19328 64 1 . 1 1 16 16 GLU N N 16 120.100 120.100 119.021 1.079 19328 65 1 . 1 1 16 16 GLU HA H 16 4.560 4.560 4.297 0.263 19328 66 1 . 1 1 16 16 GLU C C 16 175.400 175.400 175.985 -0.585 19328 67 1 . 1 1 16 16 GLU CA C 16 55.600 55.600 56.489 -0.889 19328 68 1 . 1 1 16 16 GLU CB C 16 29.200 29.200 29.731 -0.531 19328 69 1 . 1 1 17 17 VAL N N 17 120.100 120.100 119.274 0.826 19328 70 1 . 1 1 17 17 VAL HA H 17 3.960 3.960 4.232 -0.272 19328 71 1 . 1 1 17 17 VAL C C 17 174.500 174.500 175.423 -0.923 19328 72 1 . 1 1 17 17 VAL CA C 17 61.600 61.600 61.726 -0.126 19328 73 1 . 1 1 17 17 VAL CB C 17 33.200 33.200 32.742 0.458 19328 74 1 . 1 1 18 18 ASP N N 18 122.700 122.700 125.731 -3.031 19328 75 1 . 1 1 18 18 ASP HA H 18 5.130 5.130 4.729 0.401 19328 76 1 . 1 1 18 18 ASP C C 18 176.900 176.900 175.539 1.361 19328 77 1 . 1 1 18 18 ASP CA C 18 54.200 54.200 54.264 -0.064 19328 78 1 . 1 1 18 18 ASP CB C 18 42.500 42.500 42.414 0.086 19328 79 1 . 1 1 19 19 TRP N N 19 124.200 124.200 121.912 2.288 19328 80 1 . 1 1 19 19 TRP HA H 19 5.640 5.640 5.318 0.322 19328 81 1 . 1 1 19 19 TRP C C 19 176.200 176.200 176.040 0.160 19328 82 1 . 1 1 19 19 TRP CA C 19 57.300 57.300 55.502 1.798 19328 83 1 . 1 1 19 19 TRP CB C 19 34.100 34.100 32.001 2.099 19328 84 1 . 1 1 20 20 VAL N N 20 121.500 121.500 120.633 0.867 19328 85 1 . 1 1 20 20 VAL HA H 20 4.800 4.800 4.389 0.411 19328 86 1 . 1 1 20 20 VAL C C 20 170.800 170.800 173.901 -3.101 19328 87 1 . 1 1 20 20 VAL CA C 20 60.600 60.600 60.451 0.149 19328 88 1 . 1 1 20 20 VAL CB C 20 35.300 35.300 35.567 -0.267 19328 89 1 . 1 1 21 21 GLN N N 21 131.300 131.300 127.259 4.041 19328 90 1 . 1 1 21 21 GLN HA H 21 4.480 4.480 4.064 0.416 19328 91 1 . 1 1 21 21 GLN C C 21 175.300 175.300 174.826 0.474 19328 92 1 . 1 1 21 21 GLN CA C 21 53.600 53.600 55.409 -1.809 19328 93 1 . 1 1 21 21 GLN CB C 21 28.300 28.300 29.237 -0.937 19328 94 1 . 1 1 22 22 CYS N N 22 127.400 127.400 127.534 -0.134 19328 95 1 . 1 1 22 22 CYS HA H 22 4.500 4.500 4.810 -0.310 19328 96 1 . 1 1 22 22 CYS C C 22 176.100 176.100 175.508 0.592 19328 97 1 . 1 1 22 22 CYS CA C 22 60.600 60.600 58.450 2.150 19328 98 1 . 1 1 22 22 CYS CB C 22 31.300 31.300 26.555 4.745 19328 99 1 . 1 1 23 23 ASP N N 23 129.200 129.200 125.249 3.951 19328 100 1 . 1 1 23 23 ASP HA H 23 4.810 4.810 4.419 0.391 19328 101 1 . 1 1 23 23 ASP C C 23 176.700 176.700 176.786 -0.086 19328 102 1 . 1 1 23 23 ASP CA C 23 55.300 55.300 56.287 -0.987 19328 103 1 . 1 1 23 23 ASP CB C 23 41.300 41.300 40.590 0.710 19328 104 1 . 1 1 24 24 GLY N N 24 116.300 116.300 107.897 8.403 19328 105 1 . 1 1 24 24 GLY C C 24 173.700 173.700 174.580 -0.880 19328 106 1 . 1 1 24 24 GLY CA C 24 43.700 43.700 45.769 -2.069 19328 107 1 . 1 1 25 25 SER N N 25 116.500 116.500 115.526 0.974 19328 108 1 . 1 1 25 25 SER HA H 25 4.180 4.180 4.508 -0.328 19328 109 1 . 1 1 25 25 SER C C 25 176.600 176.600 174.059 2.541 19328 110 1 . 1 1 25 25 SER CA C 25 61.000 61.000 58.627 2.373 19328 111 1 . 1 1 25 25 SER CB C 25 63.700 63.700 62.570 1.130 19328 112 1 . 1 1 26 26 CYS N N 26 122.000 122.000 119.146 2.854 19328 113 1 . 1 1 26 26 CYS HA H 26 4.400 4.400 4.623 -0.223 19328 114 1 . 1 1 26 26 CYS C C 26 176.500 176.500 174.617 1.883 19328 115 1 . 1 1 26 26 CYS CA C 26 60.800 60.800 59.163 1.637 19328 116 1 . 1 1 26 26 CYS CB C 26 29.600 29.600 28.991 0.609 19328 117 1 . 1 1 27 27 ASN N N 27 117.000 117.000 117.847 -0.847 19328 118 1 . 1 1 27 27 ASN HA H 27 4.820 4.820 4.431 0.389 19328 119 1 . 1 1 27 27 ASN C C 27 174.900 174.900 174.222 0.678 19328 120 1 . 1 1 27 27 ASN CA C 27 54.800 54.800 54.710 0.090 19328 121 1 . 1 1 27 27 ASN CB C 27 39.500 39.500 37.288 2.212 19328 122 1 . 1 1 28 28 GLN N N 28 120.700 120.700 117.901 2.799 19328 123 1 . 1 1 28 28 GLN HA H 28 4.360 4.360 4.310 0.050 19328 124 1 . 1 1 28 28 GLN C C 28 174.600 174.600 175.304 -0.704 19328 125 1 . 1 1 28 28 GLN CA C 28 57.100 57.100 55.338 1.762 19328 126 1 . 1 1 28 28 GLN CB C 28 31.500 31.500 29.520 1.980 19328 127 1 . 1 1 29 29 TRP N N 29 119.600 119.600 121.952 -2.352 19328 128 1 . 1 1 29 29 TRP HA H 29 4.950 4.950 4.810 0.140 19328 129 1 . 1 1 29 29 TRP C C 29 175.400 175.400 175.685 -0.285 19328 130 1 . 1 1 29 29 TRP CA C 29 57.100 57.100 56.694 0.406 19328 131 1 . 1 1 29 29 TRP CB C 29 30.500 30.500 30.149 0.351 19328 132 1 . 1 1 30 30 PHE N N 30 119.600 119.600 120.703 -1.103 19328 133 1 . 1 1 30 30 PHE HA H 30 4.830 4.830 4.435 0.395 19328 134 1 . 1 1 30 30 PHE C C 30 176.600 176.600 174.891 1.709 19328 135 1 . 1 1 30 30 PHE CA C 30 56.400 56.400 55.785 0.615 19328 136 1 . 1 1 30 30 PHE CB C 30 43.000 43.000 42.126 0.874 19328 137 1 . 1 1 31 31 HIS N N 31 123.600 123.600 119.618 3.982 19328 138 1 . 1 1 31 31 HIS HA H 31 4.230 4.230 4.659 -0.429 19328 139 1 . 1 1 31 31 HIS C C 31 177.400 177.400 176.367 1.033 19328 140 1 . 1 1 31 31 HIS CA C 31 57.100 57.100 55.472 1.628 19328 141 1 . 1 1 31 31 HIS CB C 31 29.800 29.800 29.868 -0.068 19328 142 1 . 1 1 32 32 GLN N N 32 124.100 124.100 122.069 2.031 19328 143 1 . 1 1 32 32 GLN HA H 32 3.520 3.520 3.967 -0.447 19328 144 1 . 1 1 32 32 GLN C C 32 179.100 179.100 178.031 1.069 19328 145 1 . 1 1 32 32 GLN CA C 32 60.600 60.600 59.728 0.872 19328 146 1 . 1 1 32 32 GLN CB C 32 26.900 26.900 28.826 -1.926 19328 147 1 . 1 1 33 33 VAL N N 33 112.800 112.800 113.206 -0.406 19328 148 1 . 1 1 33 33 VAL HA H 33 4.070 4.070 3.896 0.174 19328 149 1 . 1 1 33 33 VAL C C 33 178.200 178.200 176.772 1.428 19328 150 1 . 1 1 33 33 VAL CA C 33 64.400 64.400 64.732 -0.332 19328 151 1 . 1 1 33 33 VAL CB C 33 31.600 31.600 31.144 0.456 19328 152 1 . 1 1 34 34 CYS N N 34 120.900 120.900 117.803 3.097 19328 153 1 . 1 1 34 34 CYS HA H 34 4.080 4.080 4.361 -0.281 19328 154 1 . 1 1 34 34 CYS C C 34 177.100 177.100 176.091 1.009 19328 155 1 . 1 1 34 34 CYS CA C 34 62.500 62.500 61.173 1.327 19328 156 1 . 1 1 34 34 CYS CB C 34 29.500 29.500 26.744 2.756 19328 157 1 . 1 1 35 35 VAL N N 35 106.500 106.500 113.187 -6.687 19328 158 1 . 1 1 35 35 VAL HA H 35 4.560 4.560 4.225 0.335 19328 159 1 . 1 1 35 35 VAL C C 35 176.200 176.200 176.339 -0.139 19328 160 1 . 1 1 35 35 VAL CA C 35 60.100 60.100 61.386 -1.286 19328 161 1 . 1 1 35 35 VAL CB C 35 31.800 31.800 32.189 -0.389 19328 162 1 . 1 1 36 36 GLY N N 36 109.800 109.800 108.993 0.807 19328 163 1 . 1 1 36 36 GLY C C 36 174.600 174.600 174.497 0.103 19328 164 1 . 1 1 36 36 GLY CA C 36 46.900 46.900 45.725 1.175 19328 165 1 . 1 1 37 37 VAL N N 37 119.000 119.000 120.127 -1.127 19328 166 1 . 1 1 37 37 VAL HA H 37 4.330 4.330 4.004 0.326 19328 167 1 . 1 1 37 37 VAL C C 37 174.000 174.000 175.812 -1.812 19328 168 1 . 1 1 37 37 VAL CA C 37 60.800 60.800 62.099 -1.299 19328 169 1 . 1 1 37 37 VAL CB C 37 34.200 34.200 32.519 1.681 19328 170 1 . 1 1 38 38 SER N N 38 122.000 122.000 123.669 -1.669 19328 171 1 . 1 1 38 38 SER HA H 38 4.900 4.900 4.686 0.214 19328 172 1 . 1 1 38 38 SER C C 38 174.100 174.100 174.123 -0.023 19328 173 1 . 1 1 38 38 SER CA C 38 55.500 55.500 56.837 -1.337 19328 174 1 . 1 1 38 38 SER CB C 38 63.800 63.800 63.251 0.549 19328 175 1 . 1 1 39 39 PRO HA H 39 4.360 4.360 4.279 0.081 19328 176 1 . 1 1 39 39 PRO C C 39 179.300 179.300 178.617 0.683 19328 177 1 . 1 1 39 39 PRO CA C 39 65.600 65.600 65.711 -0.111 19328 178 1 . 1 1 39 39 PRO CB C 39 31.900 31.900 31.908 -0.008 19328 179 1 . 1 1 40 40 GLU N N 40 116.600 116.600 117.812 -1.212 19328 180 1 . 1 1 40 40 GLU HA H 40 4.160 4.160 4.115 0.045 19328 181 1 . 1 1 40 40 GLU C C 40 178.500 178.500 178.715 -0.215 19328 182 1 . 1 1 40 40 GLU CA C 40 59.100 59.100 59.399 -0.299 19328 183 1 . 1 1 40 40 GLU CB C 40 29.200 29.200 29.074 0.126 19328 184 1 . 1 1 41 41 MET N N 41 119.300 119.300 118.458 0.842 19328 185 1 . 1 1 41 41 MET HA H 41 4.260 4.260 4.294 -0.034 19328 186 1 . 1 1 41 41 MET C C 41 178.200 178.200 178.543 -0.343 19328 187 1 . 1 1 41 41 MET CA C 41 57.300 57.300 58.103 -0.803 19328 188 1 . 1 1 41 41 MET CB C 41 33.400 33.400 32.273 1.127 19328 189 1 . 1 1 42 42 ALA N N 42 121.900 121.900 121.068 0.832 19328 190 1 . 1 1 42 42 ALA HA H 42 4.140 4.140 4.230 -0.090 19328 191 1 . 1 1 42 42 ALA C C 42 179.100 179.100 179.029 0.071 19328 192 1 . 1 1 42 42 ALA CA C 42 54.400 54.400 54.638 -0.238 19328 193 1 . 1 1 42 42 ALA CB C 42 18.600 18.600 18.378 0.222 19328 194 1 . 1 1 43 43 GLU N N 43 115.100 115.100 117.655 -2.555 19328 195 1 . 1 1 43 43 GLU HA H 43 4.330 4.330 4.187 0.143 19328 196 1 . 1 1 43 43 GLU C C 43 177.600 177.600 178.287 -0.687 19328 197 1 . 1 1 43 43 GLU CA C 43 57.500 57.500 58.373 -0.873 19328 198 1 . 1 1 43 43 GLU CB C 43 30.200 30.200 29.893 0.307 19328 199 1 . 1 1 44 44 LYS N N 44 117.600 117.600 117.962 -0.362 19328 200 1 . 1 1 44 44 LYS HA H 44 4.330 4.330 4.282 0.048 19328 201 1 . 1 1 44 44 LYS C C 44 176.200 176.200 176.660 -0.460 19328 202 1 . 1 1 44 44 LYS CA C 44 57.500 57.500 57.212 0.288 19328 203 1 . 1 1 44 44 LYS CB C 44 34.400 34.400 33.496 0.904 19328 204 1 . 1 1 45 45 GLU N N 45 118.200 118.200 116.833 1.367 19328 205 1 . 1 1 45 45 GLU HA H 45 4.630 4.630 4.357 0.273 19328 206 1 . 1 1 45 45 GLU C C 45 175.400 175.400 174.713 0.686 19328 207 1 . 1 1 45 45 GLU CA C 45 54.900 54.900 56.046 -1.146 19328 208 1 . 1 1 45 45 GLU CB C 45 32.020 32.020 30.743 1.277 19328 209 1 . 1 1 46 46 ASP N N 46 121.600 121.600 120.286 1.314 19328 210 1 . 1 1 46 46 ASP HA H 46 4.780 4.780 4.462 0.318 19328 211 1 . 1 1 46 46 ASP C C 46 175.900 175.900 175.343 0.557 19328 212 1 . 1 1 46 46 ASP CA C 46 54.200 54.200 54.455 -0.255 19328 213 1 . 1 1 46 46 ASP CB C 46 41.000 41.000 41.032 -0.032 19328 214 1 . 1 1 47 47 TYR N N 47 124.600 124.600 120.642 3.958 19328 215 1 . 1 1 47 47 TYR HA H 47 4.550 4.550 4.597 -0.047 19328 216 1 . 1 1 47 47 TYR C C 47 172.200 172.200 174.179 -1.979 19328 217 1 . 1 1 47 47 TYR CA C 47 58.000 58.000 56.911 1.089 19328 218 1 . 1 1 47 47 TYR CB C 47 39.800 39.800 38.265 1.535 19328 219 1 . 1 1 48 48 ILE N N 48 128.000 128.000 125.097 2.903 19328 220 1 . 1 1 48 48 ILE HA H 48 4.470 4.470 4.128 0.342 19328 221 1 . 1 1 48 48 ILE C C 48 174.800 174.800 175.885 -1.085 19328 222 1 . 1 1 48 48 ILE CA C 48 58.600 58.600 60.303 -1.704 19328 223 1 . 1 1 48 48 ILE CB C 48 38.300 38.300 37.477 0.823 19328 224 1 . 1 1 49 49 CYS N N 49 130.100 130.100 125.783 4.317 19328 225 1 . 1 1 49 49 CYS HA H 49 4.160 4.160 4.263 -0.103 19328 226 1 . 1 1 49 49 CYS C C 49 176.400 176.400 176.494 -0.094 19328 227 1 . 1 1 49 49 CYS CA C 49 58.500 58.500 57.796 0.704 19328 228 1 . 1 1 49 49 CYS CB C 49 31.800 31.800 28.204 3.596 19328 229 1 . 1 1 50 50 VAL N N 50 116.100 116.100 121.614 -5.514 19328 230 1 . 1 1 50 50 VAL HA H 50 3.800 3.800 3.634 0.166 19328 231 1 . 1 1 50 50 VAL C C 50 177.900 177.900 177.797 0.103 19328 232 1 . 1 1 50 50 VAL CA C 50 65.300 65.300 66.308 -1.008 19328 233 1 . 1 1 50 50 VAL CB C 50 31.800 31.800 31.627 0.173 19328 234 1 . 1 1 51 51 ARG N N 51 121.800 121.800 119.482 2.318 19328 235 1 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.056 0.184 19328 236 1 . 1 1 51 51 ARG C C 51 178.900 178.900 178.538 0.362 19328 237 1 . 1 1 51 51 ARG CA C 51 59.000 59.000 58.943 0.057 19328 238 1 . 1 1 51 51 ARG CB C 51 30.300 30.300 29.412 0.888 19328 239 1 . 1 1 52 52 CYS N N 52 123.700 123.700 117.322 6.378 19328 240 1 . 1 1 52 52 CYS HA H 52 4.020 4.020 4.437 -0.417 19328 241 1 . 1 1 52 52 CYS C C 52 176.500 176.500 176.904 -0.404 19328 242 1 . 1 1 52 52 CYS CA C 52 63.400 63.400 61.700 1.700 19328 243 1 . 1 1 52 52 CYS CB C 52 30.100 30.100 26.129 3.971 19328 244 1 . 1 1 53 53 THR N N 53 115.800 115.800 115.984 -0.184 19328 245 1 . 1 1 53 53 THR HA H 53 3.860 3.860 4.051 -0.191 19328 246 1 . 1 1 53 53 THR C C 53 174.900 174.900 176.240 -1.340 19328 247 1 . 1 1 53 53 THR CA C 53 65.200 65.200 66.028 -0.828 19328 248 1 . 1 1 53 53 THR CB C 53 69.400 69.400 68.646 0.754 19328 249 1 . 1 1 54 54 VAL N N 54 120.900 120.900 120.383 0.517 19328 250 1 . 1 1 54 54 VAL HA H 54 4.020 4.020 3.804 0.216 19328 251 1 . 1 1 54 54 VAL C C 54 176.600 176.600 177.008 -0.408 19328 252 1 . 1 1 54 54 VAL CA C 54 63.200 63.200 65.085 -1.885 19328 253 1 . 1 1 54 54 VAL CB C 54 32.400 32.400 31.644 0.756 19328 254 1 . 1 1 55 55 LYS N N 55 123.100 123.100 119.040 4.060 19328 255 1 . 1 1 55 55 LYS HA H 55 4.210 4.210 4.184 0.026 19328 256 1 . 1 1 55 55 LYS C C 55 176.700 176.700 176.961 -0.261 19328 257 1 . 1 1 55 55 LYS CA C 55 57.200 57.200 57.583 -0.383 19328 258 1 . 1 1 55 55 LYS CB C 55 33.100 33.100 32.472 0.628 19328 259 1 . 1 1 56 56 ASP N N 56 119.600 119.600 118.103 1.497 19328 260 1 . 1 1 56 56 ASP HA H 56 4.580 4.580 4.515 0.065 19328 261 1 . 1 1 56 56 ASP C C 56 175.600 175.600 175.468 0.132 19328 262 1 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.961 -0.661 19328 263 1 . 1 1 56 56 ASP CB C 56 40.800 40.800 41.567 -0.767 19328 264 1 . 1 1 57 57 ALA N N 57 124.700 124.700 122.323 2.377 19328 265 1 . 1 1 57 57 ALA HA H 57 4.540 4.540 4.404 0.136 19328 266 1 . 1 1 57 57 ALA CA C 57 51.100 51.100 51.027 0.073 19328 267 1 . 1 1 57 57 ALA CB C 57 18.200 18.200 18.567 -0.367 19328 268 1 . 1 1 58 58 PRO HA H 58 4.450 4.450 4.485 -0.035 19328 269 1 . 1 1 58 58 PRO C C 58 177.100 177.100 176.709 0.391 19328 270 1 . 1 1 58 58 PRO CA C 58 63.500 63.500 62.939 0.561 19328 271 1 . 1 1 58 58 PRO CB C 58 31.900 31.900 31.834 0.066 19328 272 1 . 1 1 59 59 SER N N 59 115.500 115.500 116.911 -1.411 19328 273 1 . 1 1 59 59 SER HA H 59 4.430 4.430 4.452 -0.022 19328 274 1 . 1 1 59 59 SER C C 59 174.500 174.500 174.180 0.320 19328 275 1 . 1 1 59 59 SER CA C 59 58.300 58.300 58.331 -0.032 19328 276 1 . 1 1 59 59 SER CB C 59 63.700 63.700 63.618 0.082 19328 277 1 . 1 1 60 60 ARG N N 60 123.600 123.600 122.343 1.257 19328 278 1 . 1 1 60 60 ARG HA H 60 4.390 4.390 4.347 0.043 19328 279 1 . 1 1 60 60 ARG C C 60 175.300 175.300 175.020 0.280 19328 280 1 . 1 1 60 60 ARG CA C 60 55.900 55.900 56.357 -0.457 19328 281 1 . 1 1 60 60 ARG CB C 60 30.800 30.800 30.432 0.368 19328 stop_ save_