data_16127_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16127
_Entry.PDB_ID 2KDP
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 47
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 6 . 1 1 1 A 2 2 ASN HA H 62 4.610 4.819 -0.209 1
1 10 . 1 1 1 A 2 2 ASN C C 62 174.760 175.039 -0.279 1
1 11 . 1 1 1 A 2 2 ASN CA C 62 53.100 52.956 0.144 1
1 12 . 1 1 1 A 2 2 ASN CB C 62 38.790 39.448 -0.658 1
1 14 . 1 1 1 A 3 3 ALA H H 63 8.300 7.895 0.405 1
1 15 . 1 1 1 A 3 3 ALA HA H 63 4.200 4.446 -0.246 1
1 19 . 1 1 1 A 3 3 ALA C C 63 178.180 177.810 0.370 1
1 20 . 1 1 1 A 3 3 ALA CA C 63 53.070 51.454 1.616 1
1 21 . 1 1 1 A 3 3 ALA CB C 63 18.960 20.116 -1.156 1
1 22 . 1 1 1 A 3 3 ALA N N 63 125.390 122.881 2.509 1
1 23 . 1 1 1 A 4 4 GLY H H 64 8.340 7.920 0.420 1
1 24 . 1 1 1 A 4 4 GLY HA2 H 64 3.800 3.950 -0.150 1
1 25 . 1 1 1 A 4 4 GLY HA3 H 64 3.860 3.952 -0.092 1
1 26 . 1 1 1 A 4 4 GLY C C 64 174.010 173.795 0.215 1
1 27 . 1 1 1 A 4 4 GLY CA C 64 45.350 45.317 0.033 1
1 28 . 1 1 1 A 4 4 GLY N N 64 109.300 106.492 2.808 1
1 29 . 1 1 1 A 5 5 GLN H H 65 7.950 7.586 0.364 1
1 30 . 1 1 1 A 5 5 GLN HA H 65 4.330 4.730 -0.400 1
1 35 . 1 1 1 A 5 5 GLN C C 65 175.560 174.810 0.750 1
1 36 . 1 1 1 A 5 5 GLN CA C 65 55.400 54.923 0.477 1
1 37 . 1 1 1 A 5 5 GLN CB C 65 29.860 30.921 -1.061 1
1 39 . 1 1 1 A 5 5 GLN N N 65 119.540 119.031 0.509 1
1 41 . 1 1 1 A 6 6 LEU H H 66 8.740 8.703 0.037 1
1 42 . 1 1 1 A 6 6 LEU HA H 66 4.610 5.079 -0.469 1
1 52 . 1 1 1 A 6 6 LEU C C 66 175.750 175.417 0.333 1
1 53 . 1 1 1 A 6 6 LEU CA C 66 54.010 53.393 0.617 1
1 54 . 1 1 1 A 6 6 LEU CB C 66 43.490 45.363 -1.873 1
1 58 . 1 1 1 A 6 6 LEU N N 66 126.120 121.053 5.067 1
1 59 . 1 1 1 A 7 7 CYS H H 67 8.470 8.546 -0.076 1
1 60 . 1 1 1 A 7 7 CYS HA H 67 4.140 4.604 -0.464 1
1 63 . 1 1 1 A 7 7 CYS C C 67 175.320 176.186 -0.866 1
1 64 . 1 1 1 A 7 7 CYS CA C 67 60.780 59.881 0.899 1
1 65 . 1 1 1 A 7 7 CYS CB C 67 32.850 28.366 4.484 1
1 66 . 1 1 1 A 7 7 CYS N N 67 123.170 121.931 1.239 1
1 67 . 1 1 1 A 8 8 CYS H H 68 8.170 8.764 -0.594 1
1 68 . 1 1 1 A 8 8 CYS HA H 68 4.280 4.729 -0.449 1
1 72 . 1 1 1 A 8 8 CYS C C 68 172.410 174.301 -1.891 1
1 73 . 1 1 1 A 8 8 CYS CA C 68 58.920 58.340 0.580 1
1 74 . 1 1 1 A 8 8 CYS CB C 68 28.920 27.376 1.544 1
1 75 . 1 1 1 A 8 8 CYS N N 68 124.700 122.544 2.156 1
1 76 . 1 1 1 A 9 9 LEU H H 69 8.180 7.561 0.619 1
1 77 . 1 1 1 A 9 9 LEU HA H 69 4.580 4.800 -0.220 1
1 87 . 1 1 1 A 9 9 LEU C C 69 176.770 175.601 1.169 1
1 88 . 1 1 1 A 9 9 LEU CA C 69 54.760 53.429 1.331 1
1 89 . 1 1 1 A 9 9 LEU CB C 69 43.150 45.858 -2.708 1
1 93 . 1 1 1 A 9 9 LEU N N 69 122.650 122.360 0.290 1
1 94 . 1 1 1 A 10 10 ARG H H 70 8.880 8.383 0.497 1
1 95 . 1 1 1 A 10 10 ARG HA H 70 4.770 5.336 -0.566 1
1 102 . 1 1 1 A 10 10 ARG C C 70 174.900 174.235 0.665 1
1 103 . 1 1 1 A 10 10 ARG CA C 70 54.710 54.446 0.264 1
1 104 . 1 1 1 A 10 10 ARG CB C 70 33.390 31.948 1.442 1
1 107 . 1 1 1 A 10 10 ARG N N 70 117.650 122.230 -4.580 1
1 108 . 1 1 1 A 11 11 GLU H H 71 8.640 8.913 -0.273 1
1 109 . 1 1 1 A 11 11 GLU HA H 71 5.090 4.645 0.445 1
1 113 . 1 1 1 A 11 11 GLU C C 71 176.070 176.061 0.009 1
1 114 . 1 1 1 A 11 11 GLU CA C 71 54.270 55.121 -0.851 1
1 115 . 1 1 1 A 11 11 GLU CB C 71 32.460 30.301 2.159 1
1 117 . 1 1 1 A 11 11 GLU N N 71 123.910 125.557 -1.647 1
1 118 . 1 1 1 A 12 12 ASP H H 72 9.510 8.856 0.654 1
1 119 . 1 1 1 A 12 12 ASP HA H 72 4.270 4.258 0.012 1
1 122 . 1 1 1 A 12 12 ASP C C 72 175.890 175.250 0.640 1
1 123 . 1 1 1 A 12 12 ASP CA C 72 55.880 55.062 0.818 1
1 124 . 1 1 1 A 12 12 ASP CB C 72 39.910 39.708 0.202 1
1 125 . 1 1 1 A 12 12 ASP N N 72 129.440 127.064 2.376 1
1 126 . 1 1 1 A 13 13 GLY H H 73 8.970 8.463 0.507 1
1 127 . 1 1 1 A 13 13 GLY HA2 H 73 3.520 3.836 -0.316 1
1 128 . 1 1 1 A 13 13 GLY HA3 H 73 4.200 3.839 0.361 1
1 129 . 1 1 1 A 13 13 GLY C C 73 173.960 173.830 0.130 1
1 130 . 1 1 1 A 13 13 GLY CA C 73 45.350 45.320 0.030 1
1 131 . 1 1 1 A 13 13 GLY N N 73 103.500 104.797 -1.297 1
1 132 . 1 1 1 A 14 14 GLU H H 74 7.660 7.768 -0.108 1
1 133 . 1 1 1 A 14 14 GLU HA H 74 4.640 4.444 0.196 1
1 138 . 1 1 1 A 14 14 GLU C C 74 176.170 175.921 0.249 1
1 139 . 1 1 1 A 14 14 GLU CA C 74 54.460 55.453 -0.993 1
1 140 . 1 1 1 A 14 14 GLU CB C 74 32.050 30.482 1.568 1
1 142 . 1 1 1 A 14 14 GLU N N 74 121.330 120.322 1.008 1
1 143 . 1 1 1 A 15 15 ARG H H 75 9.000 8.623 0.377 1
1 144 . 1 1 1 A 15 15 ARG HA H 75 4.120 4.358 -0.238 1
1 150 . 1 1 1 A 15 15 ARG C C 75 175.230 175.832 -0.602 1
1 151 . 1 1 1 A 15 15 ARG CA C 75 56.640 55.085 1.555 1
1 152 . 1 1 1 A 15 15 ARG CB C 75 29.720 28.703 1.017 1
1 155 . 1 1 1 A 15 15 ARG N N 75 127.990 125.067 2.923 1
1 156 . 1 1 1 A 16 16 CYS H H 76 8.870 8.860 0.010 1
1 157 . 1 1 1 A 16 16 CYS HA H 76 4.170 4.277 -0.107 1
1 160 . 1 1 1 A 16 16 CYS CA C 76 61.840 61.196 0.644 1
1 161 . 1 1 1 A 16 16 CYS CB C 76 31.150 27.979 3.171 1
1 162 . 1 1 1 A 16 16 CYS N N 76 131.840 124.431 7.409 1
1 163 . 1 1 1 A 17 17 GLY H H 77 8.530 8.036 0.494 1
1 164 . 1 1 1 A 17 17 GLY HA2 H 77 3.680 3.985 -0.305 1
1 165 . 1 1 1 A 17 17 GLY HA3 H 77 4.340 4.006 0.334 1
1 166 . 1 1 1 A 17 17 GLY C C 77 174.620 174.272 0.348 1
1 167 . 1 1 1 A 17 17 GLY CA C 77 45.110 45.002 0.108 1
1 168 . 1 1 1 A 17 17 GLY N N 77 111.930 108.482 3.448 1
1 169 . 1 1 1 A 18 18 ARG H H 78 8.960 7.778 1.182 1
1 170 . 1 1 1 A 18 18 ARG HA H 78 4.290 4.331 -0.041 1
1 177 . 1 1 1 A 18 18 ARG C C 78 175.270 176.097 -0.827 1
1 178 . 1 1 1 A 18 18 ARG CA C 78 56.350 55.649 0.701 1
1 179 . 1 1 1 A 18 18 ARG CB C 78 31.310 31.048 0.262 1
1 182 . 1 1 1 A 18 18 ARG N N 78 124.390 122.412 1.978 1
1 183 . 1 1 1 A 19 19 ALA H H 79 8.340 8.318 0.022 1
1 184 . 1 1 1 A 19 19 ALA HA H 79 4.170 4.332 -0.162 1
1 188 . 1 1 1 A 19 19 ALA C C 79 177.620 177.434 0.186 1
1 189 . 1 1 1 A 19 19 ALA CA C 79 52.710 52.168 0.542 1
1 190 . 1 1 1 A 19 19 ALA CB C 79 18.710 19.216 -0.506 1
1 191 . 1 1 1 A 19 19 ALA N N 79 123.880 127.174 -3.294 1
1 192 . 1 1 1 A 20 20 ALA H H 80 8.470 8.470 0.000 1
1 193 . 1 1 1 A 20 20 ALA HA H 80 3.540 4.643 -1.103 1
1 197 . 1 1 1 A 20 20 ALA C C 80 177.560 177.981 -0.421 1
1 198 . 1 1 1 A 20 20 ALA CA C 80 52.840 51.752 1.088 1
1 199 . 1 1 1 A 20 20 ALA CB C 80 19.050 19.580 -0.530 1
1 200 . 1 1 1 A 20 20 ALA N N 80 124.580 122.242 2.338 1
1 201 . 1 1 1 A 21 21 GLY H H 81 8.090 8.999 -0.909 1
1 202 . 1 1 1 A 21 21 GLY HA2 H 81 3.800 4.154 -0.354 1
1 203 . 1 1 1 A 21 21 GLY HA3 H 81 4.430 4.188 0.242 1
1 204 . 1 1 1 A 21 21 GLY C C 81 173.170 174.783 -1.613 1
1 205 . 1 1 1 A 21 21 GLY CA C 81 44.390 44.339 0.051 1
1 206 . 1 1 1 A 21 21 GLY N N 81 114.000 107.859 6.141 1
1 207 . 1 1 1 A 22 22 ASN H H 82 8.690 8.751 -0.061 1
1 208 . 1 1 1 A 22 22 ASN HA H 82 4.650 4.701 -0.051 1
1 213 . 1 1 1 A 22 22 ASN C C 82 176.260 175.118 1.142 1
1 214 . 1 1 1 A 22 22 ASN CA C 82 53.580 52.792 0.788 1
1 215 . 1 1 1 A 22 22 ASN CB C 82 39.580 38.901 0.679 1
1 216 . 1 1 1 A 22 22 ASN N N 82 118.160 119.525 -1.365 1
1 218 . 1 1 1 A 23 23 ALA H H 83 8.720 7.587 1.133 1
1 219 . 1 1 1 A 23 23 ALA HA H 83 4.570 4.429 0.141 1
1 223 . 1 1 1 A 23 23 ALA C C 83 175.910 176.504 -0.594 1
1 224 . 1 1 1 A 23 23 ALA CA C 83 52.340 52.265 0.075 1
1 225 . 1 1 1 A 23 23 ALA CB C 83 19.370 20.303 -0.933 1
1 226 . 1 1 1 A 23 23 ALA N N 83 125.180 121.959 3.221 1
1 227 . 1 1 1 A 24 24 SER H H 84 7.970 8.621 -0.651 1
1 228 . 1 1 1 A 24 24 SER HA H 84 5.310 5.260 0.050 1
1 230 . 1 1 1 A 24 24 SER C C 84 174.620 172.464 2.156 1
1 231 . 1 1 1 A 24 24 SER CA C 84 56.550 57.430 -0.880 1
1 232 . 1 1 1 A 24 24 SER CB C 84 66.420 66.602 -0.182 1
1 233 . 1 1 1 A 24 24 SER N N 84 112.840 115.504 -2.664 1
1 234 . 1 1 1 A 25 25 PHE H H 85 9.580 8.949 0.631 1
1 235 . 1 1 1 A 25 25 PHE HA H 85 4.320 4.778 -0.458 1
1 241 . 1 1 1 A 25 25 PHE C C 85 173.430 174.927 -1.497 1
1 242 . 1 1 1 A 25 25 PHE CA C 85 57.780 57.171 0.609 1
1 243 . 1 1 1 A 25 25 PHE CB C 85 38.780 39.334 -0.554 1
1 247 . 1 1 1 A 25 25 PHE N N 85 125.520 126.924 -1.404 1
1 248 . 1 1 1 A 26 26 SER H H 86 6.780 8.164 -1.384 1
1 249 . 1 1 1 A 26 26 SER HA H 86 4.430 4.795 -0.365 1
1 252 . 1 1 1 A 26 26 SER C C 86 174.200 175.114 -0.914 1
1 253 . 1 1 1 A 26 26 SER CA C 86 56.610 55.919 0.691 1
1 254 . 1 1 1 A 26 26 SER CB C 86 66.010 65.145 0.865 1
1 255 . 1 1 1 A 26 26 SER N N 86 118.860 119.125 -0.265 1
1 256 . 1 1 1 A 27 27 LYS H H 87 8.710 8.562 0.148 1
1 257 . 1 1 1 A 27 27 LYS HA H 87 3.850 3.753 0.097 1
1 263 . 1 1 1 A 27 27 LYS C C 87 178.490 178.880 -0.390 1
1 264 . 1 1 1 A 27 27 LYS CA C 87 59.390 59.395 -0.005 1
1 265 . 1 1 1 A 27 27 LYS CB C 87 31.970 32.703 -0.733 1
1 269 . 1 1 1 A 27 27 LYS N N 87 121.790 119.274 2.516 1
1 270 . 1 1 1 A 28 28 ARG H H 88 8.010 7.738 0.272 1
1 271 . 1 1 1 A 28 28 ARG HA H 88 3.990 4.012 -0.022 1
1 277 . 1 1 1 A 28 28 ARG C C 88 178.890 178.612 0.278 1
1 278 . 1 1 1 A 28 28 ARG CA C 88 59.010 58.627 0.383 1
1 279 . 1 1 1 A 28 28 ARG CB C 88 30.120 29.820 0.300 1
1 282 . 1 1 1 A 28 28 ARG N N 88 119.520 119.708 -0.188 1
1 283 . 1 1 1 A 29 29 ILE H H 89 7.350 7.543 -0.193 1
1 284 . 1 1 1 A 29 29 ILE HA H 89 3.680 3.661 0.019 1
1 294 . 1 1 1 A 29 29 ILE C C 89 177.620 177.659 -0.039 1
1 295 . 1 1 1 A 29 29 ILE CA C 89 63.170 65.269 -2.099 1
1 296 . 1 1 1 A 29 29 ILE CB C 89 36.900 37.269 -0.369 1
1 300 . 1 1 1 A 29 29 ILE N N 89 121.980 119.705 2.275 1
1 301 . 1 1 1 A 30 30 GLN H H 90 7.990 7.470 0.520 1
1 302 . 1 1 1 A 30 30 GLN HA H 90 3.630 3.995 -0.365 1
1 308 . 1 1 1 A 30 30 GLN C C 90 178.320 178.116 0.204 1
1 309 . 1 1 1 A 30 30 GLN CA C 90 59.200 59.197 0.003 1
1 310 . 1 1 1 A 30 30 GLN CB C 90 28.700 28.299 0.401 1
1 312 . 1 1 1 A 30 30 GLN N N 90 121.020 119.950 1.070 1
1 314 . 1 1 1 A 31 31 LYS H H 91 7.990 8.229 -0.239 1
1 315 . 1 1 1 A 31 31 LYS HA H 91 4.090 4.021 0.069 1
1 321 . 1 1 1 A 31 31 LYS C C 91 178.650 178.900 -0.250 1
1 322 . 1 1 1 A 31 31 LYS CA C 91 58.720 59.176 -0.456 1
1 323 . 1 1 1 A 31 31 LYS CB C 91 32.220 31.999 0.221 1
1 327 . 1 1 1 A 31 31 LYS N N 91 119.520 118.551 0.969 1
1 328 . 1 1 1 A 32 32 SER H H 92 7.770 8.070 -0.300 1
1 329 . 1 1 1 A 32 32 SER HA H 92 4.320 4.168 0.152 1
1 332 . 1 1 1 A 32 32 SER C C 92 176.110 177.440 -1.330 1
1 333 . 1 1 1 A 32 32 SER CA C 92 61.260 61.727 -0.467 1
1 334 . 1 1 1 A 32 32 SER CB C 92 63.610 63.111 0.499 1
1 335 . 1 1 1 A 32 32 SER N N 92 116.310 114.183 2.127 1
1 336 . 1 1 1 A 33 33 ILE H H 93 7.960 7.926 0.034 1
1 337 . 1 1 1 A 33 33 ILE HA H 93 3.920 3.527 0.393 1
1 347 . 1 1 1 A 33 33 ILE C C 93 177.480 177.795 -0.315 1
1 348 . 1 1 1 A 33 33 ILE CA C 93 63.610 65.258 -1.648 1
1 349 . 1 1 1 A 33 33 ILE CB C 93 38.330 37.601 0.729 1
1 353 . 1 1 1 A 33 33 ILE N N 93 119.950 121.985 -2.035 1
1 354 . 1 1 1 A 34 34 SER H H 94 7.970 8.260 -0.290 1
1 355 . 1 1 1 A 34 34 SER HA H 94 4.390 4.064 0.326 1
1 357 . 1 1 1 A 34 34 SER C C 94 176.490 176.831 -0.341 1
1 358 . 1 1 1 A 34 34 SER CA C 94 60.560 61.715 -1.155 1
1 359 . 1 1 1 A 34 34 SER CB C 94 63.130 62.934 0.196 1
1 360 . 1 1 1 A 34 34 SER N N 94 117.230 115.405 1.825 1
1 361 . 1 1 1 A 35 35 GLN H H 95 8.220 7.900 0.320 1
1 362 . 1 1 1 A 35 35 GLN HA H 95 4.260 3.986 0.274 1
1 369 . 1 1 1 A 35 35 GLN C C 95 177.050 178.524 -1.474 1
1 370 . 1 1 1 A 35 35 GLN CA C 95 57.360 59.088 -1.728 1
1 371 . 1 1 1 A 35 35 GLN CB C 95 28.900 28.385 0.515 1
1 373 . 1 1 1 A 35 35 GLN N N 95 121.530 121.695 -0.165 1
1 375 . 1 1 1 A 36 36 LYS H H 96 7.870 7.509 0.361 1
1 376 . 1 1 1 A 36 36 LYS HA H 96 4.280 4.099 0.181 1
1 383 . 1 1 1 A 36 36 LYS C C 96 176.160 176.299 -0.139 1
1 384 . 1 1 1 A 36 36 LYS CA C 96 56.570 58.921 -2.351 1
1 385 . 1 1 1 A 36 36 LYS CB C 96 33.600 32.544 1.056 1
1 389 . 1 1 1 A 36 36 LYS N N 96 118.550 117.778 0.772 1
1 390 . 1 1 1 A 37 37 LYS H H 97 8.110 8.342 -0.232 1
1 391 . 1 1 1 A 37 37 LYS HA H 97 4.110 3.900 0.210 1
1 396 . 1 1 1 A 37 37 LYS C C 97 176.210 175.314 0.896 1
1 397 . 1 1 1 A 37 37 LYS CA C 97 57.230 57.113 0.117 1
1 398 . 1 1 1 A 37 37 LYS CB C 97 30.580 30.508 0.072 1
1 402 . 1 1 1 A 37 37 LYS N N 97 117.680 116.896 0.784 1
1 403 . 1 1 1 A 38 38 VAL H H 98 7.430 7.796 -0.366 1
1 404 . 1 1 1 A 38 38 VAL HA H 98 4.350 4.890 -0.540 1
1 412 . 1 1 1 A 38 38 VAL C C 98 175.830 174.669 1.161 1
1 413 . 1 1 1 A 38 38 VAL CA C 98 60.580 58.624 1.956 1
1 414 . 1 1 1 A 38 38 VAL CB C 98 33.410 35.514 -2.104 1
1 417 . 1 1 1 A 38 38 VAL N N 98 115.860 114.519 1.341 1
1 418 . 1 1 1 A 39 39 LYS H H 99 8.960 8.377 0.583 1
1 419 . 1 1 1 A 39 39 LYS HA H 99 4.430 4.405 0.025 1
1 425 . 1 1 1 A 39 39 LYS C C 99 175.700 174.472 1.228 1
1 426 . 1 1 1 A 39 39 LYS CA C 99 55.420 56.114 -0.694 1
1 427 . 1 1 1 A 39 39 LYS CB C 99 30.580 30.544 0.036 1
1 431 . 1 1 1 A 39 39 LYS N N 99 127.710 119.872 7.838 1
1 432 . 1 1 1 A 40 40 ILE H H 100 7.660 7.701 -0.041 1
1 433 . 1 1 1 A 40 40 ILE HA H 100 5.020 4.868 0.152 1
1 443 . 1 1 1 A 40 40 ILE C C 100 174.520 174.918 -0.398 1
1 444 . 1 1 1 A 40 40 ILE CA C 100 59.370 60.529 -1.159 1
1 445 . 1 1 1 A 40 40 ILE CB C 100 40.650 40.300 0.350 1
1 449 . 1 1 1 A 40 40 ILE N N 100 123.140 124.306 -1.166 1
1 450 . 1 1 1 A 41 41 GLU H H 101 8.490 9.021 -0.531 1
1 451 . 1 1 1 A 41 41 GLU HA H 101 4.620 4.980 -0.360 1
1 456 . 1 1 1 A 41 41 GLU C C 101 173.590 174.712 -1.122 1
1 457 . 1 1 1 A 41 41 GLU CA C 101 53.740 54.368 -0.628 1
1 458 . 1 1 1 A 41 41 GLU CB C 101 34.580 33.500 1.080 1
1 460 . 1 1 1 A 41 41 GLU N N 101 123.460 124.533 -1.073 1
1 461 . 1 1 1 A 42 42 LEU H H 102 8.490 8.264 0.226 1
1 462 . 1 1 1 A 42 42 LEU HA H 102 3.790 4.127 -0.337 1
1 472 . 1 1 1 A 42 42 LEU C C 102 176.440 175.672 0.768 1
1 473 . 1 1 1 A 42 42 LEU CA C 102 55.190 55.548 -0.358 1
1 474 . 1 1 1 A 42 42 LEU CB C 102 43.100 42.536 0.564 1
1 478 . 1 1 1 A 42 42 LEU N N 102 123.470 124.896 -1.426 1
1 479 . 1 1 1 A 43 43 ASP H H 103 8.770 7.963 0.807 1
1 480 . 1 1 1 A 43 43 ASP HA H 103 4.520 4.753 -0.233 1
1 483 . 1 1 1 A 43 43 ASP C C 103 177.600 176.694 0.906 1
1 484 . 1 1 1 A 43 43 ASP CA C 103 53.740 53.206 0.534 1
1 485 . 1 1 1 A 43 43 ASP CB C 103 41.880 41.604 0.276 1
1 486 . 1 1 1 A 43 43 ASP N N 103 127.210 125.586 1.624 1
1 487 . 1 1 1 A 44 44 LYS H H 104 8.910 8.953 -0.043 1
1 488 . 1 1 1 A 44 44 LYS HA H 104 3.920 4.179 -0.259 1
1 495 . 1 1 1 A 44 44 LYS C C 104 177.340 178.250 -0.910 1
1 496 . 1 1 1 A 44 44 LYS CA C 104 58.930 57.532 1.398 1
1 497 . 1 1 1 A 44 44 LYS CB C 104 32.000 32.331 -0.331 1
1 501 . 1 1 1 A 44 44 LYS N N 104 129.080 126.980 2.100 1
1 502 . 1 1 1 A 45 45 SER H H 105 8.740 7.651 1.089 1
1 503 . 1 1 1 A 45 45 SER HA H 105 4.370 4.345 0.025 1
1 506 . 1 1 1 A 45 45 SER C C 105 175.040 174.955 0.085 1
1 507 . 1 1 1 A 45 45 SER CA C 105 59.150 58.667 0.483 1
1 508 . 1 1 1 A 45 45 SER CB C 105 63.830 63.652 0.178 1
1 509 . 1 1 1 A 45 45 SER N N 105 115.270 112.558 2.712 1
1 510 . 1 1 1 A 46 46 ALA H H 106 7.430 7.505 -0.075 1
1 511 . 1 1 1 A 46 46 ALA HA H 106 4.150 4.248 -0.098 1
1 515 . 1 1 1 A 46 46 ALA CA C 106 53.300 52.018 1.282 1
1 516 . 1 1 1 A 46 46 ALA CB C 106 19.190 20.394 -1.204 1
1 517 . 1 1 1 A 46 46 ALA N N 106 125.120 125.474 -0.354 1
1 518 . 1 1 1 A 47 47 ARG HA H 107 4.280 4.600 -0.320 1
1 526 . 1 1 1 A 48 48 HIS HA H 108 4.650 5.282 -0.632 1
1 531 . 1 1 1 A 48 48 HIS C C 108 173.160 173.571 -0.411 1
1 532 . 1 1 1 A 48 48 HIS CA C 108 54.990 53.288 1.702 1
1 533 . 1 1 1 A 48 48 HIS CB C 108 33.400 33.511 -0.111 1
1 538 . 1 1 1 A 49 49 LEU H H 109 8.030 8.714 -0.684 1
1 539 . 1 1 1 A 49 49 LEU HA H 109 5.040 4.530 0.510 1
1 549 . 1 1 1 A 49 49 LEU CA C 109 54.480 53.773 0.707 1
1 550 . 1 1 1 A 49 49 LEU CB C 109 43.010 42.649 0.361 1
1 554 . 1 1 1 A 49 49 LEU N N 109 120.130 119.752 0.378 1
1 555 . 1 1 1 A 50 50 TYR HA H 110 5.020 5.187 -0.167 1
1 560 . 1 1 1 A 50 50 TYR C C 110 176.960 175.684 1.276 1
1 561 . 1 1 1 A 50 50 TYR CA C 110 60.340 56.816 3.524 1
1 562 . 1 1 1 A 50 50 TYR CB C 110 39.210 41.911 -2.701 1
1 565 . 1 1 1 A 51 51 ILE H H 111 8.510 8.921 -0.411 1
1 566 . 1 1 1 A 51 51 ILE HA H 111 5.960 4.970 0.990 1
1 576 . 1 1 1 A 51 51 ILE C C 111 177.900 176.166 1.734 1
1 577 . 1 1 1 A 51 51 ILE CA C 111 58.100 59.166 -1.066 1
1 578 . 1 1 1 A 51 51 ILE CB C 111 41.370 40.599 0.771 1
1 582 . 1 1 1 A 51 51 ILE N N 111 115.050 119.276 -4.226 1
1 583 . 1 1 1 A 52 52 CYS H H 112 9.830 8.910 0.920 1
1 584 . 1 1 1 A 52 52 CYS HA H 112 5.000 4.857 0.143 1
1 587 . 1 1 1 A 52 52 CYS C C 112 175.420 175.765 -0.345 1
1 588 . 1 1 1 A 52 52 CYS CA C 112 57.770 57.546 0.224 1
1 589 . 1 1 1 A 52 52 CYS CB C 112 33.120 30.108 3.012 1
1 590 . 1 1 1 A 52 52 CYS N N 112 125.820 121.976 3.844 1
1 591 . 1 1 1 A 53 53 ASP H H 113 9.000 8.930 0.070 1
1 592 . 1 1 1 A 53 53 ASP HA H 113 4.510 4.337 0.173 1
1 594 . 1 1 1 A 53 53 ASP C C 113 178.140 178.174 -0.034 1
1 595 . 1 1 1 A 53 53 ASP CA C 113 57.330 57.393 -0.063 1
1 596 . 1 1 1 A 53 53 ASP CB C 113 39.730 40.333 -0.603 1
1 597 . 1 1 1 A 53 53 ASP N N 113 121.960 120.686 1.274 1
1 598 . 1 1 1 A 54 54 TYR H H 114 8.220 8.153 0.067 1
1 599 . 1 1 1 A 54 54 TYR HA H 114 4.100 4.222 -0.122 1
1 604 . 1 1 1 A 54 54 TYR C C 114 178.410 177.259 1.151 1
1 605 . 1 1 1 A 54 54 TYR CA C 114 61.970 61.668 0.302 1
1 606 . 1 1 1 A 54 54 TYR CB C 114 37.150 39.108 -1.958 1
1 609 . 1 1 1 A 54 54 TYR N N 114 123.510 122.487 1.023 1
1 610 . 1 1 1 A 55 55 HIS H H 115 10.090 7.808 2.282 1
1 611 . 1 1 1 A 55 55 HIS HA H 115 4.040 4.276 -0.236 1
1 616 . 1 1 1 A 55 55 HIS C C 115 177.240 177.509 -0.269 1
1 617 . 1 1 1 A 55 55 HIS CA C 115 63.870 59.921 3.949 1
1 618 . 1 1 1 A 55 55 HIS CB C 115 29.600 29.598 0.002 1
1 621 . 1 1 1 A 55 55 HIS N N 115 124.830 117.011 7.819 1
1 624 . 1 1 1 A 56 56 LYS H H 116 8.830 8.255 0.575 1
1 625 . 1 1 1 A 56 56 LYS HA H 116 3.720 3.887 -0.167 1
1 633 . 1 1 1 A 56 56 LYS C C 116 178.140 178.800 -0.660 1
1 634 . 1 1 1 A 56 56 LYS CA C 116 60.590 59.994 0.596 1
1 635 . 1 1 1 A 56 56 LYS CB C 116 32.230 32.470 -0.240 1
1 639 . 1 1 1 A 56 56 LYS N N 116 123.340 120.751 2.589 1
1 640 . 1 1 1 A 57 57 ASN H H 117 8.140 8.183 -0.043 1
1 641 . 1 1 1 A 57 57 ASN HA H 117 4.340 4.466 -0.126 1
1 646 . 1 1 1 A 57 57 ASN C C 117 177.570 177.351 0.219 1
1 647 . 1 1 1 A 57 57 ASN CA C 117 55.890 56.689 -0.799 1
1 648 . 1 1 1 A 57 57 ASN CB C 117 38.070 39.002 -0.932 1
1 649 . 1 1 1 A 57 57 ASN N N 117 116.920 118.225 -1.305 1
1 651 . 1 1 1 A 58 58 LEU H H 118 7.890 7.938 -0.048 1
1 652 . 1 1 1 A 58 58 LEU HA H 118 3.930 3.977 -0.047 1
1 662 . 1 1 1 A 58 58 LEU C C 118 179.400 178.706 0.694 1
1 663 . 1 1 1 A 58 58 LEU CA C 118 58.420 58.270 0.150 1
1 664 . 1 1 1 A 58 58 LEU CB C 118 43.170 41.256 1.914 1
1 668 . 1 1 1 A 58 58 LEU N N 118 123.590 120.223 3.367 1
1 669 . 1 1 1 A 59 59 ILE H H 119 8.360 8.246 0.114 1
1 670 . 1 1 1 A 59 59 ILE HA H 119 3.470 3.799 -0.329 1
1 680 . 1 1 1 A 59 59 ILE C C 119 177.290 178.300 -1.010 1
1 681 . 1 1 1 A 59 59 ILE CA C 119 65.260 64.122 1.138 1
1 682 . 1 1 1 A 59 59 ILE CB C 119 38.330 37.324 1.006 1
1 686 . 1 1 1 A 59 59 ILE N N 119 118.630 119.053 -0.423 1
1 687 . 1 1 1 A 60 60 GLN H H 120 7.830 8.342 -0.512 1
1 688 . 1 1 1 A 60 60 GLN HA H 120 4.130 4.025 0.105 1
1 694 . 1 1 1 A 60 60 GLN C C 120 177.240 177.582 -0.342 1
1 695 . 1 1 1 A 60 60 GLN CA C 120 57.750 59.238 -1.488 1
1 696 . 1 1 1 A 60 60 GLN CB C 120 28.910 28.620 0.290 1
1 698 . 1 1 1 A 60 60 GLN N N 120 117.840 119.977 -2.137 1
1 700 . 1 1 1 A 61 61 SER H H 121 7.790 8.013 -0.223 1
1 701 . 1 1 1 A 61 61 SER HA H 121 4.300 4.563 -0.263 1
1 703 . 1 1 1 A 61 61 SER C C 121 175.650 174.794 0.856 1
1 704 . 1 1 1 A 61 61 SER CA C 121 60.090 58.568 1.522 1
1 705 . 1 1 1 A 61 61 SER CB C 121 63.570 63.109 0.461 1
1 706 . 1 1 1 A 61 61 SER N N 121 115.460 114.147 1.313 1
1 707 . 1 1 1 A 62 62 VAL H H 122 8.020 7.684 0.336 1
1 708 . 1 1 1 A 62 62 VAL HA H 122 4.020 4.103 -0.083 1
1 716 . 1 1 1 A 62 62 VAL C C 122 176.960 176.836 0.124 1
1 717 . 1 1 1 A 62 62 VAL CA C 122 63.600 63.790 -0.190 1
1 718 . 1 1 1 A 62 62 VAL CB C 122 32.300 32.950 -0.650 1
1 721 . 1 1 1 A 62 62 VAL N N 122 121.600 120.811 0.789 1
1 722 . 1 1 1 A 63 63 ARG H H 123 8.130 7.827 0.303 1
1 723 . 1 1 1 A 63 63 ARG HA H 123 4.190 4.496 -0.306 1
1 729 . 1 1 1 A 63 63 ARG C C 123 176.490 175.087 1.403 1
1 730 . 1 1 1 A 63 63 ARG CA C 123 57.070 55.161 1.909 1
1 731 . 1 1 1 A 63 63 ARG CB C 123 30.780 30.922 -0.142 1
1 734 . 1 1 1 A 63 63 ARG N N 123 122.770 117.813 4.957 1
1 735 . 1 1 1 A 64 64 ASN H H 124 8.210 7.620 0.590 1
1 736 . 1 1 1 A 64 64 ASN HA H 124 4.650 4.871 -0.221 1
1 741 . 1 1 1 A 64 64 ASN C C 124 175.310 174.268 1.042 1
1 742 . 1 1 1 A 64 64 ASN CA C 124 53.500 53.183 0.317 1
1 743 . 1 1 1 A 64 64 ASN CB C 124 38.840 39.089 -0.249 1
1 744 . 1 1 1 A 64 64 ASN N N 124 119.350 118.134 1.216 1
1 746 . 1 1 1 A 65 65 ARG H H 125 8.100 8.586 -0.486 1
1 747 . 1 1 1 A 65 65 ARG HA H 125 4.270 4.544 -0.274 1
1 752 . 1 1 1 A 65 65 ARG C C 125 176.310 175.364 0.946 1
1 753 . 1 1 1 A 65 65 ARG CA C 125 56.580 57.258 -0.678 1
1 754 . 1 1 1 A 65 65 ARG CB C 125 30.810 33.394 -2.584 1
1 757 . 1 1 1 A 65 65 ARG N N 125 122.230 127.444 -5.214 1
1 758 . 1 1 1 A 66 66 ARG H H 126 8.260 7.634 0.626 1
1 759 . 1 1 1 A 66 66 ARG HA H 126 4.270 4.762 -0.492 1
1 764 . 1 1 1 A 66 66 ARG C C 126 176.210 174.348 1.862 1
1 765 . 1 1 1 A 66 66 ARG CA C 126 56.190 54.790 1.400 1
1 766 . 1 1 1 A 66 66 ARG CB C 126 30.810 33.955 -3.145 1
1 769 . 1 1 1 A 66 66 ARG N N 126 122.760 118.427 4.333 1
1 770 . 1 1 1 A 67 67 LYS H H 127 8.270 8.610 -0.340 1
1 771 . 1 1 1 A 67 67 LYS HA H 127 4.260 4.614 -0.354 1
1 776 . 1 1 1 A 67 67 LYS C C 127 176.450 175.454 0.996 1
1 777 . 1 1 1 A 67 67 LYS CA C 127 56.320 55.468 0.852 1
1 778 . 1 1 1 A 67 67 LYS CB C 127 33.180 34.153 -0.973 1
1 782 . 1 1 1 A 67 67 LYS N N 127 123.620 123.290 0.330 1
1 783 . 1 1 1 A 68 68 ARG H H 128 8.340 7.601 0.739 1
1 784 . 1 1 1 A 68 68 ARG HA H 128 4.270 4.801 -0.531 1
1 788 . 1 1 1 A 68 68 ARG C C 128 176.250 174.444 1.806 1
1 789 . 1 1 1 A 68 68 ARG CA C 128 56.130 55.634 0.496 1
1 790 . 1 1 1 A 68 68 ARG CB C 128 31.060 33.671 -2.611 1
1 793 . 1 1 1 A 68 68 ARG N N 128 123.750 119.936 3.814 1
1 794 . 1 1 1 A 69 69 LYS H H 129 8.450 8.703 -0.253 1
1 795 . 1 1 1 A 69 69 LYS HA H 129 4.250 4.584 -0.334 1
1 800 . 1 1 1 A 69 69 LYS C C 129 177.010 177.372 -0.362 1
1 801 . 1 1 1 A 69 69 LYS CA C 129 57.000 56.733 0.267 1
1 802 . 1 1 1 A 69 69 LYS CB C 129 32.940 34.605 -1.665 1
1 806 . 1 1 1 A 69 69 LYS N N 129 124.580 123.617 0.963 1
1 807 . 1 1 1 A 70 70 GLY H H 130 8.500 7.689 0.811 1
1 808 . 1 1 1 A 70 70 GLY HA2 H 130 3.910 4.060 -0.150 1
1 809 . 1 1 1 A 70 70 GLY HA3 H 130 4.010 4.060 -0.050 1
1 810 . 1 1 1 A 70 70 GLY C C 130 173.360 173.381 -0.021 1
1 811 . 1 1 1 A 70 70 GLY CA C 130 45.370 45.606 -0.236 1
1 812 . 1 1 1 A 70 70 GLY N N 130 112.470 107.096 5.374 1
1 6 . 2 1 1 A 2 2 ASN HA H 62 4.610 5.022 -0.412 1
1 10 . 2 1 1 A 2 2 ASN C C 62 174.760 175.407 -0.647 1
1 11 . 2 1 1 A 2 2 ASN CA C 62 53.100 51.739 1.361 1
1 12 . 2 1 1 A 2 2 ASN CB C 62 38.790 38.237 0.553 1
1 14 . 2 1 1 A 3 3 ALA H H 63 8.300 8.185 0.115 1
1 15 . 2 1 1 A 3 3 ALA HA H 63 4.200 4.509 -0.309 1
1 19 . 2 1 1 A 3 3 ALA C C 63 178.180 177.337 0.843 1
1 20 . 2 1 1 A 3 3 ALA CA C 63 53.070 51.213 1.857 1
1 21 . 2 1 1 A 3 3 ALA CB C 63 18.960 20.039 -1.079 1
1 22 . 2 1 1 A 3 3 ALA N N 63 125.390 126.885 -1.495 1
1 23 . 2 1 1 A 4 4 GLY H H 64 8.340 8.037 0.303 1
1 24 . 2 1 1 A 4 4 GLY HA2 H 64 3.800 3.977 -0.177 1
1 25 . 2 1 1 A 4 4 GLY HA3 H 64 3.860 3.982 -0.122 1
1 26 . 2 1 1 A 4 4 GLY C C 64 174.010 173.466 0.544 1
1 27 . 2 1 1 A 4 4 GLY CA C 64 45.350 46.019 -0.669 1
1 28 . 2 1 1 A 4 4 GLY N N 64 109.300 106.164 3.136 1
1 29 . 2 1 1 A 5 5 GLN H H 65 7.950 7.462 0.488 1
1 30 . 2 1 1 A 5 5 GLN HA H 65 4.330 4.673 -0.343 1
1 35 . 2 1 1 A 5 5 GLN C C 65 175.560 174.618 0.942 1
1 36 . 2 1 1 A 5 5 GLN CA C 65 55.400 55.050 0.350 1
1 37 . 2 1 1 A 5 5 GLN CB C 65 29.860 30.689 -0.829 1
1 39 . 2 1 1 A 5 5 GLN N N 65 119.540 118.884 0.656 1
1 41 . 2 1 1 A 6 6 LEU H H 66 8.740 8.670 0.070 1
1 42 . 2 1 1 A 6 6 LEU HA H 66 4.610 5.026 -0.416 1
1 52 . 2 1 1 A 6 6 LEU C C 66 175.750 175.759 -0.009 1
1 53 . 2 1 1 A 6 6 LEU CA C 66 54.010 53.180 0.830 1
1 54 . 2 1 1 A 6 6 LEU CB C 66 43.490 45.480 -1.990 1
1 58 . 2 1 1 A 6 6 LEU N N 66 126.120 121.075 5.045 1
1 59 . 2 1 1 A 7 7 CYS H H 67 8.470 9.352 -0.882 1
1 60 . 2 1 1 A 7 7 CYS HA H 67 4.140 4.431 -0.291 1
1 63 . 2 1 1 A 7 7 CYS C C 67 175.320 175.875 -0.555 1
1 64 . 2 1 1 A 7 7 CYS CA C 67 60.780 59.729 1.051 1
1 65 . 2 1 1 A 7 7 CYS CB C 67 32.850 28.592 4.258 1
1 66 . 2 1 1 A 7 7 CYS N N 67 123.170 123.848 -0.678 1
1 67 . 2 1 1 A 8 8 CYS H H 68 8.170 8.758 -0.588 1
1 68 . 2 1 1 A 8 8 CYS HA H 68 4.280 4.799 -0.519 1
1 72 . 2 1 1 A 8 8 CYS C C 68 172.410 174.175 -1.765 1
1 73 . 2 1 1 A 8 8 CYS CA C 68 58.920 58.105 0.815 1
1 74 . 2 1 1 A 8 8 CYS CB C 68 28.920 27.987 0.933 1
1 75 . 2 1 1 A 8 8 CYS N N 68 124.700 122.389 2.311 1
1 76 . 2 1 1 A 9 9 LEU H H 69 8.180 7.182 0.998 1
1 77 . 2 1 1 A 9 9 LEU HA H 69 4.580 4.741 -0.161 1
1 87 . 2 1 1 A 9 9 LEU C C 69 176.770 175.615 1.155 1
1 88 . 2 1 1 A 9 9 LEU CA C 69 54.760 53.484 1.276 1
1 89 . 2 1 1 A 9 9 LEU CB C 69 43.150 45.841 -2.691 1
1 93 . 2 1 1 A 9 9 LEU N N 69 122.650 122.481 0.169 1
1 94 . 2 1 1 A 10 10 ARG H H 70 8.880 8.066 0.814 1
1 95 . 2 1 1 A 10 10 ARG HA H 70 4.770 5.094 -0.324 1
1 102 . 2 1 1 A 10 10 ARG C C 70 174.900 174.355 0.545 1
1 103 . 2 1 1 A 10 10 ARG CA C 70 54.710 54.222 0.488 1
1 104 . 2 1 1 A 10 10 ARG CB C 70 33.390 33.487 -0.097 1
1 107 . 2 1 1 A 10 10 ARG N N 70 117.650 120.506 -2.856 1
1 108 . 2 1 1 A 11 11 GLU H H 71 8.640 9.705 -1.065 1
1 109 . 2 1 1 A 11 11 GLU HA H 71 5.090 4.720 0.370 1
1 113 . 2 1 1 A 11 11 GLU C C 71 176.070 175.213 0.857 1
1 114 . 2 1 1 A 11 11 GLU CA C 71 54.270 54.970 -0.700 1
1 115 . 2 1 1 A 11 11 GLU CB C 71 32.460 31.061 1.399 1
1 117 . 2 1 1 A 11 11 GLU N N 71 123.910 123.535 0.375 1
1 118 . 2 1 1 A 12 12 ASP H H 72 9.510 9.116 0.394 1
1 119 . 2 1 1 A 12 12 ASP HA H 72 4.270 4.461 -0.191 1
1 122 . 2 1 1 A 12 12 ASP C C 72 175.890 176.295 -0.405 1
1 123 . 2 1 1 A 12 12 ASP CA C 72 55.880 55.360 0.520 1
1 124 . 2 1 1 A 12 12 ASP CB C 72 39.910 39.766 0.144 1
1 125 . 2 1 1 A 12 12 ASP N N 72 129.440 128.207 1.233 1
1 126 . 2 1 1 A 13 13 GLY H H 73 8.970 8.502 0.468 1
1 127 . 2 1 1 A 13 13 GLY HA2 H 73 3.520 3.839 -0.319 1
1 128 . 2 1 1 A 13 13 GLY HA3 H 73 4.200 3.843 0.357 1
1 129 . 2 1 1 A 13 13 GLY C C 73 173.960 173.642 0.318 1
1 130 . 2 1 1 A 13 13 GLY CA C 73 45.350 45.386 -0.036 1
1 131 . 2 1 1 A 13 13 GLY N N 73 103.500 103.762 -0.262 1
1 132 . 2 1 1 A 14 14 GLU H H 74 7.660 7.940 -0.280 1
1 133 . 2 1 1 A 14 14 GLU HA H 74 4.640 4.513 0.127 1
1 138 . 2 1 1 A 14 14 GLU C C 74 176.170 175.485 0.685 1
1 139 . 2 1 1 A 14 14 GLU CA C 74 54.460 55.130 -0.670 1
1 140 . 2 1 1 A 14 14 GLU CB C 74 32.050 31.447 0.603 1
1 142 . 2 1 1 A 14 14 GLU N N 74 121.330 120.466 0.864 1
1 143 . 2 1 1 A 15 15 ARG H H 75 9.000 8.519 0.481 1
1 144 . 2 1 1 A 15 15 ARG HA H 75 4.120 4.115 0.005 1
1 150 . 2 1 1 A 15 15 ARG C C 75 175.230 177.193 -1.963 1
1 151 . 2 1 1 A 15 15 ARG CA C 75 56.640 56.849 -0.209 1
1 152 . 2 1 1 A 15 15 ARG CB C 75 29.720 31.176 -1.456 1
1 155 . 2 1 1 A 15 15 ARG N N 75 127.990 125.546 2.444 1
1 156 . 2 1 1 A 16 16 CYS H H 76 8.870 8.726 0.144 1
1 157 . 2 1 1 A 16 16 CYS HA H 76 4.170 4.115 0.055 1
1 160 . 2 1 1 A 16 16 CYS CA C 76 61.840 61.902 -0.062 1
1 161 . 2 1 1 A 16 16 CYS CB C 76 31.150 28.066 3.084 1
1 162 . 2 1 1 A 16 16 CYS N N 76 131.840 125.608 6.232 1
1 163 . 2 1 1 A 17 17 GLY H H 77 8.530 8.064 0.466 1
1 164 . 2 1 1 A 17 17 GLY HA2 H 77 3.680 3.931 -0.251 1
1 165 . 2 1 1 A 17 17 GLY HA3 H 77 4.340 3.948 0.392 1
1 166 . 2 1 1 A 17 17 GLY C C 77 174.620 174.220 0.400 1
1 167 . 2 1 1 A 17 17 GLY CA C 77 45.110 45.028 0.082 1
1 168 . 2 1 1 A 17 17 GLY N N 77 111.930 108.951 2.979 1
1 169 . 2 1 1 A 18 18 ARG H H 78 8.960 7.887 1.073 1
1 170 . 2 1 1 A 18 18 ARG HA H 78 4.290 4.284 0.006 1
1 177 . 2 1 1 A 18 18 ARG C C 78 175.270 176.018 -0.748 1
1 178 . 2 1 1 A 18 18 ARG CA C 78 56.350 55.888 0.462 1
1 179 . 2 1 1 A 18 18 ARG CB C 78 31.310 31.138 0.172 1
1 182 . 2 1 1 A 18 18 ARG N N 78 124.390 122.301 2.089 1
1 183 . 2 1 1 A 19 19 ALA H H 79 8.340 8.216 0.124 1
1 184 . 2 1 1 A 19 19 ALA HA H 79 4.170 4.448 -0.278 1
1 188 . 2 1 1 A 19 19 ALA C C 79 177.620 177.489 0.131 1
1 189 . 2 1 1 A 19 19 ALA CA C 79 52.710 52.641 0.069 1
1 190 . 2 1 1 A 19 19 ALA CB C 79 18.710 19.106 -0.396 1
1 191 . 2 1 1 A 19 19 ALA N N 79 123.880 127.207 -3.327 1
1 192 . 2 1 1 A 20 20 ALA H H 80 8.470 8.643 -0.173 1
1 193 . 2 1 1 A 20 20 ALA HA H 80 3.540 4.398 -0.858 1
1 197 . 2 1 1 A 20 20 ALA C C 80 177.560 177.761 -0.201 1
1 198 . 2 1 1 A 20 20 ALA CA C 80 52.840 52.017 0.823 1
1 199 . 2 1 1 A 20 20 ALA CB C 80 19.050 19.489 -0.439 1
1 200 . 2 1 1 A 20 20 ALA N N 80 124.580 123.353 1.227 1
1 201 . 2 1 1 A 21 21 GLY H H 81 8.090 9.101 -1.011 1
1 202 . 2 1 1 A 21 21 GLY HA2 H 81 3.800 4.145 -0.345 1
1 203 . 2 1 1 A 21 21 GLY HA3 H 81 4.430 4.167 0.263 1
1 204 . 2 1 1 A 21 21 GLY C C 81 173.170 173.960 -0.790 1
1 205 . 2 1 1 A 21 21 GLY CA C 81 44.390 44.594 -0.204 1
1 206 . 2 1 1 A 21 21 GLY N N 81 114.000 107.888 6.112 1
1 207 . 2 1 1 A 22 22 ASN H H 82 8.690 8.645 0.045 1
1 208 . 2 1 1 A 22 22 ASN HA H 82 4.650 4.976 -0.326 1
1 213 . 2 1 1 A 22 22 ASN C C 82 176.260 175.086 1.174 1
1 214 . 2 1 1 A 22 22 ASN CA C 82 53.580 52.544 1.036 1
1 215 . 2 1 1 A 22 22 ASN CB C 82 39.580 38.988 0.592 1
1 216 . 2 1 1 A 22 22 ASN N N 82 118.160 122.683 -4.523 1
1 218 . 2 1 1 A 23 23 ALA H H 83 8.720 7.470 1.250 1
1 219 . 2 1 1 A 23 23 ALA HA H 83 4.570 4.878 -0.308 1
1 223 . 2 1 1 A 23 23 ALA C C 83 175.910 175.408 0.502 1
1 224 . 2 1 1 A 23 23 ALA CA C 83 52.340 50.309 2.031 1
1 225 . 2 1 1 A 23 23 ALA CB C 83 19.370 22.163 -2.793 1
1 226 . 2 1 1 A 23 23 ALA N N 83 125.180 121.859 3.321 1
1 227 . 2 1 1 A 24 24 SER H H 84 7.970 8.713 -0.743 1
1 228 . 2 1 1 A 24 24 SER HA H 84 5.310 5.224 0.086 1
1 230 . 2 1 1 A 24 24 SER C C 84 174.620 172.476 2.144 1
1 231 . 2 1 1 A 24 24 SER CA C 84 56.550 57.283 -0.733 1
1 232 . 2 1 1 A 24 24 SER CB C 84 66.420 66.830 -0.410 1
1 233 . 2 1 1 A 24 24 SER N N 84 112.840 114.727 -1.887 1
1 234 . 2 1 1 A 25 25 PHE H H 85 9.580 8.833 0.747 1
1 235 . 2 1 1 A 25 25 PHE HA H 85 4.320 4.711 -0.391 1
1 241 . 2 1 1 A 25 25 PHE C C 85 173.430 174.754 -1.324 1
1 242 . 2 1 1 A 25 25 PHE CA C 85 57.780 59.278 -1.498 1
1 243 . 2 1 1 A 25 25 PHE CB C 85 38.780 40.023 -1.243 1
1 247 . 2 1 1 A 25 25 PHE N N 85 125.520 125.941 -0.421 1
1 248 . 2 1 1 A 26 26 SER H H 86 6.780 8.138 -1.358 1
1 249 . 2 1 1 A 26 26 SER HA H 86 4.430 4.653 -0.223 1
1 252 . 2 1 1 A 26 26 SER C C 86 174.200 174.063 0.137 1
1 253 . 2 1 1 A 26 26 SER CA C 86 56.610 56.815 -0.205 1
1 254 . 2 1 1 A 26 26 SER CB C 86 66.010 65.123 0.887 1
1 255 . 2 1 1 A 26 26 SER N N 86 118.860 118.667 0.193 1
1 256 . 2 1 1 A 27 27 LYS H H 87 8.710 8.863 -0.153 1
1 257 . 2 1 1 A 27 27 LYS HA H 87 3.850 3.812 0.038 1
1 263 . 2 1 1 A 27 27 LYS C C 87 178.490 178.879 -0.389 1
1 264 . 2 1 1 A 27 27 LYS CA C 87 59.390 59.394 -0.004 1
1 265 . 2 1 1 A 27 27 LYS CB C 87 31.970 32.777 -0.807 1
1 269 . 2 1 1 A 27 27 LYS N N 87 121.790 118.845 2.945 1
1 270 . 2 1 1 A 28 28 ARG H H 88 8.010 7.758 0.252 1
1 271 . 2 1 1 A 28 28 ARG HA H 88 3.990 4.007 -0.017 1
1 277 . 2 1 1 A 28 28 ARG C C 88 178.890 178.625 0.265 1
1 278 . 2 1 1 A 28 28 ARG CA C 88 59.010 58.637 0.373 1
1 279 . 2 1 1 A 28 28 ARG CB C 88 30.120 29.884 0.236 1
1 282 . 2 1 1 A 28 28 ARG N N 88 119.520 119.669 -0.149 1
1 283 . 2 1 1 A 29 29 ILE H H 89 7.350 7.439 -0.089 1
1 284 . 2 1 1 A 29 29 ILE HA H 89 3.680 3.653 0.027 1
1 294 . 2 1 1 A 29 29 ILE C C 89 177.620 177.601 0.019 1
1 295 . 2 1 1 A 29 29 ILE CA C 89 63.170 65.323 -2.153 1
1 296 . 2 1 1 A 29 29 ILE CB C 89 36.900 37.166 -0.266 1
1 300 . 2 1 1 A 29 29 ILE N N 89 121.980 119.602 2.378 1
1 301 . 2 1 1 A 30 30 GLN H H 90 7.990 7.565 0.425 1
1 302 . 2 1 1 A 30 30 GLN HA H 90 3.630 4.016 -0.386 1
1 308 . 2 1 1 A 30 30 GLN C C 90 178.320 178.593 -0.273 1
1 309 . 2 1 1 A 30 30 GLN CA C 90 59.200 59.142 0.058 1
1 310 . 2 1 1 A 30 30 GLN CB C 90 28.700 28.118 0.582 1
1 312 . 2 1 1 A 30 30 GLN N N 90 121.020 119.907 1.113 1
1 314 . 2 1 1 A 31 31 LYS H H 91 7.990 8.193 -0.203 1
1 315 . 2 1 1 A 31 31 LYS HA H 91 4.090 4.042 0.048 1
1 321 . 2 1 1 A 31 31 LYS C C 91 178.650 178.824 -0.174 1
1 322 . 2 1 1 A 31 31 LYS CA C 91 58.720 59.207 -0.487 1
1 323 . 2 1 1 A 31 31 LYS CB C 91 32.220 32.238 -0.018 1
1 327 . 2 1 1 A 31 31 LYS N N 91 119.520 118.614 0.906 1
1 328 . 2 1 1 A 32 32 SER H H 92 7.770 8.222 -0.452 1
1 329 . 2 1 1 A 32 32 SER HA H 92 4.320 4.066 0.254 1
1 332 . 2 1 1 A 32 32 SER C C 92 176.110 176.164 -0.054 1
1 333 . 2 1 1 A 32 32 SER CA C 92 61.260 62.686 -1.426 1
1 334 . 2 1 1 A 32 32 SER CB C 92 63.610 63.115 0.495 1
1 335 . 2 1 1 A 32 32 SER N N 92 116.310 116.780 -0.470 1
1 336 . 2 1 1 A 33 33 ILE H H 93 7.960 8.234 -0.274 1
1 337 . 2 1 1 A 33 33 ILE HA H 93 3.920 3.714 0.206 1
1 347 . 2 1 1 A 33 33 ILE C C 93 177.480 178.103 -0.623 1
1 348 . 2 1 1 A 33 33 ILE CA C 93 63.610 65.204 -1.594 1
1 349 . 2 1 1 A 33 33 ILE CB C 93 38.330 37.558 0.772 1
1 353 . 2 1 1 A 33 33 ILE N N 93 119.950 122.048 -2.098 1
1 354 . 2 1 1 A 34 34 SER H H 94 7.970 8.216 -0.246 1
1 355 . 2 1 1 A 34 34 SER HA H 94 4.390 4.018 0.372 1
1 357 . 2 1 1 A 34 34 SER C C 94 176.490 177.335 -0.845 1
1 358 . 2 1 1 A 34 34 SER CA C 94 60.560 61.629 -1.069 1
1 359 . 2 1 1 A 34 34 SER CB C 94 63.130 62.614 0.516 1
1 360 . 2 1 1 A 34 34 SER N N 94 117.230 116.189 1.041 1
1 361 . 2 1 1 A 35 35 GLN H H 95 8.220 7.974 0.246 1
1 362 . 2 1 1 A 35 35 GLN HA H 95 4.260 4.076 0.184 1
1 369 . 2 1 1 A 35 35 GLN C C 95 177.050 178.117 -1.067 1
1 370 . 2 1 1 A 35 35 GLN CA C 95 57.360 58.627 -1.267 1
1 371 . 2 1 1 A 35 35 GLN CB C 95 28.900 28.231 0.669 1
1 373 . 2 1 1 A 35 35 GLN N N 95 121.530 120.812 0.718 1
1 375 . 2 1 1 A 36 36 LYS H H 96 7.870 7.518 0.352 1
1 376 . 2 1 1 A 36 36 LYS HA H 96 4.280 4.277 0.003 1
1 383 . 2 1 1 A 36 36 LYS C C 96 176.160 176.115 0.045 1
1 384 . 2 1 1 A 36 36 LYS CA C 96 56.570 57.828 -1.258 1
1 385 . 2 1 1 A 36 36 LYS CB C 96 33.600 33.107 0.493 1
1 389 . 2 1 1 A 36 36 LYS N N 96 118.550 116.829 1.721 1
1 390 . 2 1 1 A 37 37 LYS H H 97 8.110 8.673 -0.563 1
1 391 . 2 1 1 A 37 37 LYS HA H 97 4.110 3.760 0.350 1
1 396 . 2 1 1 A 37 37 LYS C C 97 176.210 174.971 1.239 1
1 397 . 2 1 1 A 37 37 LYS CA C 97 57.230 57.221 0.009 1
1 398 . 2 1 1 A 37 37 LYS CB C 97 30.580 29.718 0.862 1
1 402 . 2 1 1 A 37 37 LYS N N 97 117.680 116.515 1.165 1
1 403 . 2 1 1 A 38 38 VAL H H 98 7.430 7.706 -0.276 1
1 404 . 2 1 1 A 38 38 VAL HA H 98 4.350 4.761 -0.411 1
1 412 . 2 1 1 A 38 38 VAL C C 98 175.830 175.436 0.394 1
1 413 . 2 1 1 A 38 38 VAL CA C 98 60.580 58.992 1.588 1
1 414 . 2 1 1 A 38 38 VAL CB C 98 33.410 34.557 -1.147 1
1 417 . 2 1 1 A 38 38 VAL N N 98 115.860 114.165 1.695 1
1 418 . 2 1 1 A 39 39 LYS H H 99 8.960 8.620 0.340 1
1 419 . 2 1 1 A 39 39 LYS HA H 99 4.430 4.461 -0.031 1
1 425 . 2 1 1 A 39 39 LYS C C 99 175.700 174.656 1.044 1
1 426 . 2 1 1 A 39 39 LYS CA C 99 55.420 56.016 -0.596 1
1 427 . 2 1 1 A 39 39 LYS CB C 99 30.580 31.571 -0.991 1
1 431 . 2 1 1 A 39 39 LYS N N 99 127.710 119.394 8.316 1
1 432 . 2 1 1 A 40 40 ILE H H 100 7.660 7.442 0.218 1
1 433 . 2 1 1 A 40 40 ILE HA H 100 5.020 4.995 0.025 1
1 443 . 2 1 1 A 40 40 ILE C C 100 174.520 174.845 -0.325 1
1 444 . 2 1 1 A 40 40 ILE CA C 100 59.370 60.612 -1.242 1
1 445 . 2 1 1 A 40 40 ILE CB C 100 40.650 39.045 1.605 1
1 449 . 2 1 1 A 40 40 ILE N N 100 123.140 121.637 1.503 1
1 450 . 2 1 1 A 41 41 GLU H H 101 8.490 8.872 -0.382 1
1 451 . 2 1 1 A 41 41 GLU HA H 101 4.620 4.979 -0.359 1
1 456 . 2 1 1 A 41 41 GLU C C 101 173.590 174.853 -1.263 1
1 457 . 2 1 1 A 41 41 GLU CA C 101 53.740 54.428 -0.688 1
1 458 . 2 1 1 A 41 41 GLU CB C 101 34.580 33.077 1.503 1
1 460 . 2 1 1 A 41 41 GLU N N 101 123.460 125.439 -1.979 1
1 461 . 2 1 1 A 42 42 LEU H H 102 8.490 8.256 0.234 1
1 462 . 2 1 1 A 42 42 LEU HA H 102 3.790 4.562 -0.772 1
1 472 . 2 1 1 A 42 42 LEU C C 102 176.440 175.896 0.544 1
1 473 . 2 1 1 A 42 42 LEU CA C 102 55.190 54.053 1.137 1
1 474 . 2 1 1 A 42 42 LEU CB C 102 43.100 42.970 0.130 1
1 478 . 2 1 1 A 42 42 LEU N N 102 123.470 122.827 0.643 1
1 479 . 2 1 1 A 43 43 ASP H H 103 8.770 8.110 0.660 1
1 480 . 2 1 1 A 43 43 ASP HA H 103 4.520 4.478 0.042 1
1 483 . 2 1 1 A 43 43 ASP C C 103 177.600 176.686 0.914 1
1 484 . 2 1 1 A 43 43 ASP CA C 103 53.740 54.557 -0.817 1
1 485 . 2 1 1 A 43 43 ASP CB C 103 41.880 41.700 0.180 1
1 486 . 2 1 1 A 43 43 ASP N N 103 127.210 126.478 0.732 1
1 487 . 2 1 1 A 44 44 LYS H H 104 8.910 9.009 -0.099 1
1 488 . 2 1 1 A 44 44 LYS HA H 104 3.920 4.442 -0.522 1
1 495 . 2 1 1 A 44 44 LYS C C 104 177.340 176.912 0.428 1
1 496 . 2 1 1 A 44 44 LYS CA C 104 58.930 56.509 2.421 1
1 497 . 2 1 1 A 44 44 LYS CB C 104 32.000 32.166 -0.166 1
1 501 . 2 1 1 A 44 44 LYS N N 104 129.080 127.026 2.054 1
1 502 . 2 1 1 A 45 45 SER H H 105 8.740 7.863 0.877 1
1 503 . 2 1 1 A 45 45 SER HA H 105 4.370 4.462 -0.092 1
1 506 . 2 1 1 A 45 45 SER C C 105 175.040 174.140 0.900 1
1 507 . 2 1 1 A 45 45 SER CA C 105 59.150 59.272 -0.122 1
1 508 . 2 1 1 A 45 45 SER CB C 105 63.830 64.031 -0.201 1
1 509 . 2 1 1 A 45 45 SER N N 105 115.270 114.368 0.902 1
1 510 . 2 1 1 A 46 46 ALA H H 106 7.430 7.351 0.079 1
1 511 . 2 1 1 A 46 46 ALA HA H 106 4.150 4.145 0.005 1
1 515 . 2 1 1 A 46 46 ALA CA C 106 53.300 52.476 0.824 1
1 516 . 2 1 1 A 46 46 ALA CB C 106 19.190 20.027 -0.837 1
1 517 . 2 1 1 A 46 46 ALA N N 106 125.120 123.486 1.634 1
1 518 . 2 1 1 A 47 47 ARG HA H 107 4.280 4.555 -0.275 1
1 526 . 2 1 1 A 48 48 HIS HA H 108 4.650 5.482 -0.832 1
1 531 . 2 1 1 A 48 48 HIS C C 108 173.160 172.811 0.349 1
1 532 . 2 1 1 A 48 48 HIS CA C 108 54.990 53.636 1.354 1
1 533 . 2 1 1 A 48 48 HIS CB C 108 33.400 33.488 -0.088 1
1 538 . 2 1 1 A 49 49 LEU H H 109 8.030 8.973 -0.943 1
1 539 . 2 1 1 A 49 49 LEU HA H 109 5.040 4.733 0.307 1
1 549 . 2 1 1 A 49 49 LEU CA C 109 54.480 53.944 0.536 1
1 550 . 2 1 1 A 49 49 LEU CB C 109 43.010 42.643 0.367 1
1 554 . 2 1 1 A 49 49 LEU N N 109 120.130 119.837 0.293 1
1 555 . 2 1 1 A 50 50 TYR HA H 110 5.020 5.085 -0.065 1
1 560 . 2 1 1 A 50 50 TYR C C 110 176.960 175.334 1.626 1
1 561 . 2 1 1 A 50 50 TYR CA C 110 60.340 56.948 3.392 1
1 562 . 2 1 1 A 50 50 TYR CB C 110 39.210 42.429 -3.219 1
1 565 . 2 1 1 A 51 51 ILE H H 111 8.510 8.697 -0.187 1
1 566 . 2 1 1 A 51 51 ILE HA H 111 5.960 5.163 0.797 1
1 576 . 2 1 1 A 51 51 ILE C C 111 177.900 175.845 2.055 1
1 577 . 2 1 1 A 51 51 ILE CA C 111 58.100 59.047 -0.947 1
1 578 . 2 1 1 A 51 51 ILE CB C 111 41.370 41.252 0.118 1
1 582 . 2 1 1 A 51 51 ILE N N 111 115.050 117.636 -2.586 1
1 583 . 2 1 1 A 52 52 CYS H H 112 9.830 8.730 1.100 1
1 584 . 2 1 1 A 52 52 CYS HA H 112 5.000 4.963 0.037 1
1 587 . 2 1 1 A 52 52 CYS C C 112 175.420 175.573 -0.153 1
1 588 . 2 1 1 A 52 52 CYS CA C 112 57.770 57.271 0.499 1
1 589 . 2 1 1 A 52 52 CYS CB C 112 33.120 30.167 2.953 1
1 590 . 2 1 1 A 52 52 CYS N N 112 125.820 122.031 3.789 1
1 591 . 2 1 1 A 53 53 ASP H H 113 9.000 9.006 -0.006 1
1 592 . 2 1 1 A 53 53 ASP HA H 113 4.510 4.311 0.199 1
1 594 . 2 1 1 A 53 53 ASP C C 113 178.140 177.584 0.556 1
1 595 . 2 1 1 A 53 53 ASP CA C 113 57.330 57.327 0.003 1
1 596 . 2 1 1 A 53 53 ASP CB C 113 39.730 40.459 -0.729 1
1 597 . 2 1 1 A 53 53 ASP N N 113 121.960 122.005 -0.045 1
1 598 . 2 1 1 A 54 54 TYR H H 114 8.220 8.065 0.155 1
1 599 . 2 1 1 A 54 54 TYR HA H 114 4.100 4.200 -0.100 1
1 604 . 2 1 1 A 54 54 TYR C C 114 178.410 177.238 1.172 1
1 605 . 2 1 1 A 54 54 TYR CA C 114 61.970 61.649 0.321 1
1 606 . 2 1 1 A 54 54 TYR CB C 114 37.150 39.166 -2.016 1
1 609 . 2 1 1 A 54 54 TYR N N 114 123.510 120.841 2.669 1
1 610 . 2 1 1 A 55 55 HIS H H 115 10.090 7.866 2.224 1
1 611 . 2 1 1 A 55 55 HIS HA H 115 4.040 4.495 -0.455 1
1 616 . 2 1 1 A 55 55 HIS C C 115 177.240 177.597 -0.357 1
1 617 . 2 1 1 A 55 55 HIS CA C 115 63.870 59.473 4.397 1
1 618 . 2 1 1 A 55 55 HIS CB C 115 29.600 30.010 -0.410 1
1 621 . 2 1 1 A 55 55 HIS N N 115 124.830 116.631 8.199 1
1 624 . 2 1 1 A 56 56 LYS H H 116 8.830 8.505 0.325 1
1 625 . 2 1 1 A 56 56 LYS HA H 116 3.720 3.901 -0.181 1
1 633 . 2 1 1 A 56 56 LYS C C 116 178.140 178.901 -0.761 1
1 634 . 2 1 1 A 56 56 LYS CA C 116 60.590 60.033 0.557 1
1 635 . 2 1 1 A 56 56 LYS CB C 116 32.230 32.462 -0.232 1
1 639 . 2 1 1 A 56 56 LYS N N 116 123.340 120.611 2.729 1
1 640 . 2 1 1 A 57 57 ASN H H 117 8.140 8.171 -0.031 1
1 641 . 2 1 1 A 57 57 ASN HA H 117 4.340 4.511 -0.171 1
1 646 . 2 1 1 A 57 57 ASN C C 117 177.570 177.474 0.096 1
1 647 . 2 1 1 A 57 57 ASN CA C 117 55.890 56.268 -0.378 1
1 648 . 2 1 1 A 57 57 ASN CB C 117 38.070 38.643 -0.573 1
1 649 . 2 1 1 A 57 57 ASN N N 117 116.920 118.318 -1.398 1
1 651 . 2 1 1 A 58 58 LEU H H 118 7.890 7.633 0.257 1
1 652 . 2 1 1 A 58 58 LEU HA H 118 3.930 4.049 -0.119 1
1 662 . 2 1 1 A 58 58 LEU C C 118 179.400 178.979 0.421 1
1 663 . 2 1 1 A 58 58 LEU CA C 118 58.420 57.876 0.544 1
1 664 . 2 1 1 A 58 58 LEU CB C 118 43.170 41.840 1.330 1
1 668 . 2 1 1 A 58 58 LEU N N 118 123.590 120.180 3.410 1
1 669 . 2 1 1 A 59 59 ILE H H 119 8.360 7.967 0.393 1
1 670 . 2 1 1 A 59 59 ILE HA H 119 3.470 3.926 -0.456 1
1 680 . 2 1 1 A 59 59 ILE C C 119 177.290 177.945 -0.655 1
1 681 . 2 1 1 A 59 59 ILE CA C 119 65.260 64.110 1.150 1
1 682 . 2 1 1 A 59 59 ILE CB C 119 38.330 37.868 0.462 1
1 686 . 2 1 1 A 59 59 ILE N N 119 118.630 119.100 -0.470 1
1 687 . 2 1 1 A 60 60 GLN H H 120 7.830 8.312 -0.482 1
1 688 . 2 1 1 A 60 60 GLN HA H 120 4.130 4.022 0.108 1
1 694 . 2 1 1 A 60 60 GLN C C 120 177.240 177.121 0.119 1
1 695 . 2 1 1 A 60 60 GLN CA C 120 57.750 58.989 -1.239 1
1 696 . 2 1 1 A 60 60 GLN CB C 120 28.910 28.274 0.636 1
1 698 . 2 1 1 A 60 60 GLN N N 120 117.840 120.682 -2.842 1
1 700 . 2 1 1 A 61 61 SER H H 121 7.790 7.732 0.058 1
1 701 . 2 1 1 A 61 61 SER HA H 121 4.300 4.398 -0.098 1
1 703 . 2 1 1 A 61 61 SER C C 121 175.650 173.814 1.836 1
1 704 . 2 1 1 A 61 61 SER CA C 121 60.090 58.135 1.955 1
1 705 . 2 1 1 A 61 61 SER CB C 121 63.570 63.014 0.556 1
1 706 . 2 1 1 A 61 61 SER N N 121 115.460 113.102 2.358 1
1 707 . 2 1 1 A 62 62 VAL H H 122 8.020 7.549 0.471 1
1 708 . 2 1 1 A 62 62 VAL HA H 122 4.020 4.205 -0.185 1
1 716 . 2 1 1 A 62 62 VAL C C 122 176.960 177.155 -0.195 1
1 717 . 2 1 1 A 62 62 VAL CA C 122 63.600 63.750 -0.150 1
1 718 . 2 1 1 A 62 62 VAL CB C 122 32.300 33.957 -1.657 1
1 721 . 2 1 1 A 62 62 VAL N N 122 121.600 119.898 1.702 1
1 722 . 2 1 1 A 63 63 ARG H H 123 8.130 7.978 0.152 1
1 723 . 2 1 1 A 63 63 ARG HA H 123 4.190 4.349 -0.159 1
1 729 . 2 1 1 A 63 63 ARG C C 123 176.490 175.595 0.895 1
1 730 . 2 1 1 A 63 63 ARG CA C 123 57.070 56.450 0.620 1
1 731 . 2 1 1 A 63 63 ARG CB C 123 30.780 30.852 -0.072 1
1 734 . 2 1 1 A 63 63 ARG N N 123 122.770 119.145 3.625 1
1 735 . 2 1 1 A 64 64 ASN H H 124 8.210 7.797 0.413 1
1 736 . 2 1 1 A 64 64 ASN HA H 124 4.650 5.217 -0.567 1
1 741 . 2 1 1 A 64 64 ASN C C 124 175.310 173.731 1.579 1
1 742 . 2 1 1 A 64 64 ASN CA C 124 53.500 52.203 1.297 1
1 743 . 2 1 1 A 64 64 ASN CB C 124 38.840 40.691 -1.851 1
1 744 . 2 1 1 A 64 64 ASN N N 124 119.350 119.359 -0.009 1
1 746 . 2 1 1 A 65 65 ARG H H 125 8.100 8.602 -0.502 1
1 747 . 2 1 1 A 65 65 ARG HA H 125 4.270 4.782 -0.512 1
1 752 . 2 1 1 A 65 65 ARG C C 125 176.310 174.670 1.640 1
1 753 . 2 1 1 A 65 65 ARG CA C 125 56.580 55.929 0.651 1
1 754 . 2 1 1 A 65 65 ARG CB C 125 30.810 32.646 -1.836 1
1 757 . 2 1 1 A 65 65 ARG N N 125 122.230 125.978 -3.748 1
1 758 . 2 1 1 A 66 66 ARG H H 126 8.260 8.906 -0.646 1
1 759 . 2 1 1 A 66 66 ARG HA H 126 4.270 4.975 -0.705 1
1 764 . 2 1 1 A 66 66 ARG C C 126 176.210 175.218 0.992 1
1 765 . 2 1 1 A 66 66 ARG CA C 126 56.190 54.243 1.947 1
1 766 . 2 1 1 A 66 66 ARG CB C 126 30.810 35.045 -4.235 1
1 769 . 2 1 1 A 66 66 ARG N N 126 122.760 126.209 -3.449 1
1 770 . 2 1 1 A 67 67 LYS H H 127 8.270 8.562 -0.292 1
1 771 . 2 1 1 A 67 67 LYS HA H 127 4.260 4.657 -0.397 1
1 776 . 2 1 1 A 67 67 LYS C C 127 176.450 176.079 0.371 1
1 777 . 2 1 1 A 67 67 LYS CA C 127 56.320 54.766 1.554 1
1 778 . 2 1 1 A 67 67 LYS CB C 127 33.180 34.191 -1.011 1
1 782 . 2 1 1 A 67 67 LYS N N 127 123.620 119.686 3.934 1
1 783 . 2 1 1 A 68 68 ARG H H 128 8.340 8.710 -0.370 1
1 784 . 2 1 1 A 68 68 ARG HA H 128 4.270 4.024 0.246 1
1 788 . 2 1 1 A 68 68 ARG C C 128 176.250 175.527 0.723 1
1 789 . 2 1 1 A 68 68 ARG CA C 128 56.130 58.345 -2.215 1
1 790 . 2 1 1 A 68 68 ARG CB C 128 31.060 29.114 1.946 1
1 793 . 2 1 1 A 68 68 ARG N N 128 123.750 121.687 2.063 1
1 794 . 2 1 1 A 69 69 LYS H H 129 8.450 8.595 -0.145 1
1 795 . 2 1 1 A 69 69 LYS HA H 129 4.250 4.468 -0.218 1
1 800 . 2 1 1 A 69 69 LYS C C 129 177.010 176.100 0.910 1
1 801 . 2 1 1 A 69 69 LYS CA C 129 57.000 57.778 -0.778 1
1 802 . 2 1 1 A 69 69 LYS CB C 129 32.940 34.622 -1.682 1
1 806 . 2 1 1 A 69 69 LYS N N 129 124.580 121.547 3.033 1
1 807 . 2 1 1 A 70 70 GLY H H 130 8.500 7.438 1.062 1
1 808 . 2 1 1 A 70 70 GLY HA2 H 130 3.910 4.067 -0.157 1
1 809 . 2 1 1 A 70 70 GLY HA3 H 130 4.010 4.067 -0.057 1
1 810 . 2 1 1 A 70 70 GLY C C 130 173.360 173.250 0.110 1
1 811 . 2 1 1 A 70 70 GLY CA C 130 45.370 45.735 -0.365 1
1 812 . 2 1 1 A 70 70 GLY N N 130 112.470 105.395 7.075 1
1 6 . 3 1 1 A 2 2 ASN HA H 62 4.610 5.160 -0.550 1
1 10 . 3 1 1 A 2 2 ASN C C 62 174.760 174.319 0.441 1
1 11 . 3 1 1 A 2 2 ASN CA C 62 53.100 52.175 0.925 1
1 12 . 3 1 1 A 2 2 ASN CB C 62 38.790 40.549 -1.759 1
1 14 . 3 1 1 A 3 3 ALA H H 63 8.300 8.609 -0.309 1
1 15 . 3 1 1 A 3 3 ALA HA H 63 4.200 4.635 -0.435 1
1 19 . 3 1 1 A 3 3 ALA C C 63 178.180 176.953 1.227 1
1 20 . 3 1 1 A 3 3 ALA CA C 63 53.070 50.902 2.168 1
1 21 . 3 1 1 A 3 3 ALA CB C 63 18.960 19.555 -0.595 1
1 22 . 3 1 1 A 3 3 ALA N N 63 125.390 127.650 -2.260 1
1 23 . 3 1 1 A 4 4 GLY H H 64 8.340 7.652 0.688 1
1 24 . 3 1 1 A 4 4 GLY HA2 H 64 3.800 4.112 -0.312 1
1 25 . 3 1 1 A 4 4 GLY HA3 H 64 3.860 4.115 -0.255 1
1 26 . 3 1 1 A 4 4 GLY C C 64 174.010 172.721 1.289 1
1 27 . 3 1 1 A 4 4 GLY CA C 64 45.350 45.890 -0.540 1
1 28 . 3 1 1 A 4 4 GLY N N 64 109.300 105.699 3.601 1
1 29 . 3 1 1 A 5 5 GLN H H 65 7.950 8.204 -0.254 1
1 30 . 3 1 1 A 5 5 GLN HA H 65 4.330 4.757 -0.427 1
1 35 . 3 1 1 A 5 5 GLN C C 65 175.560 174.665 0.895 1
1 36 . 3 1 1 A 5 5 GLN CA C 65 55.400 54.501 0.899 1
1 37 . 3 1 1 A 5 5 GLN CB C 65 29.860 31.453 -1.593 1
1 39 . 3 1 1 A 5 5 GLN N N 65 119.540 119.476 0.064 1
1 41 . 3 1 1 A 6 6 LEU H H 66 8.740 8.798 -0.058 1
1 42 . 3 1 1 A 6 6 LEU HA H 66 4.610 4.953 -0.343 1
1 52 . 3 1 1 A 6 6 LEU C C 66 175.750 176.210 -0.460 1
1 53 . 3 1 1 A 6 6 LEU CA C 66 54.010 53.649 0.361 1
1 54 . 3 1 1 A 6 6 LEU CB C 66 43.490 44.207 -0.717 1
1 58 . 3 1 1 A 6 6 LEU N N 66 126.120 121.339 4.781 1
1 59 . 3 1 1 A 7 7 CYS H H 67 8.470 9.508 -1.038 1
1 60 . 3 1 1 A 7 7 CYS HA H 67 4.140 4.569 -0.429 1
1 63 . 3 1 1 A 7 7 CYS C C 67 175.320 175.863 -0.543 1
1 64 . 3 1 1 A 7 7 CYS CA C 67 60.780 59.542 1.238 1
1 65 . 3 1 1 A 7 7 CYS CB C 67 32.850 28.714 4.136 1
1 66 . 3 1 1 A 7 7 CYS N N 67 123.170 123.527 -0.357 1
1 67 . 3 1 1 A 8 8 CYS H H 68 8.170 8.603 -0.433 1
1 68 . 3 1 1 A 8 8 CYS HA H 68 4.280 4.768 -0.488 1
1 72 . 3 1 1 A 8 8 CYS C C 68 172.410 174.309 -1.899 1
1 73 . 3 1 1 A 8 8 CYS CA C 68 58.920 58.116 0.804 1
1 74 . 3 1 1 A 8 8 CYS CB C 68 28.920 28.026 0.894 1
1 75 . 3 1 1 A 8 8 CYS N N 68 124.700 121.652 3.048 1
1 76 . 3 1 1 A 9 9 LEU H H 69 8.180 7.175 1.005 1
1 77 . 3 1 1 A 9 9 LEU HA H 69 4.580 4.823 -0.243 1
1 87 . 3 1 1 A 9 9 LEU C C 69 176.770 175.830 0.940 1
1 88 . 3 1 1 A 9 9 LEU CA C 69 54.760 53.051 1.709 1
1 89 . 3 1 1 A 9 9 LEU CB C 69 43.150 45.506 -2.356 1
1 93 . 3 1 1 A 9 9 LEU N N 69 122.650 122.644 0.006 1
1 94 . 3 1 1 A 10 10 ARG H H 70 8.880 8.073 0.807 1
1 95 . 3 1 1 A 10 10 ARG HA H 70 4.770 5.242 -0.472 1
1 102 . 3 1 1 A 10 10 ARG C C 70 174.900 174.137 0.763 1
1 103 . 3 1 1 A 10 10 ARG CA C 70 54.710 54.278 0.432 1
1 104 . 3 1 1 A 10 10 ARG CB C 70 33.390 33.530 -0.140 1
1 107 . 3 1 1 A 10 10 ARG N N 70 117.650 120.056 -2.406 1
1 108 . 3 1 1 A 11 11 GLU H H 71 8.640 9.184 -0.544 1
1 109 . 3 1 1 A 11 11 GLU HA H 71 5.090 4.681 0.409 1
1 113 . 3 1 1 A 11 11 GLU C C 71 176.070 175.248 0.822 1
1 114 . 3 1 1 A 11 11 GLU CA C 71 54.270 55.089 -0.819 1
1 115 . 3 1 1 A 11 11 GLU CB C 71 32.460 31.140 1.320 1
1 117 . 3 1 1 A 11 11 GLU N N 71 123.910 125.125 -1.215 1
1 118 . 3 1 1 A 12 12 ASP H H 72 9.510 9.147 0.363 1
1 119 . 3 1 1 A 12 12 ASP HA H 72 4.270 4.446 -0.176 1
1 122 . 3 1 1 A 12 12 ASP C C 72 175.890 176.413 -0.523 1
1 123 . 3 1 1 A 12 12 ASP CA C 72 55.880 55.368 0.512 1
1 124 . 3 1 1 A 12 12 ASP CB C 72 39.910 39.727 0.183 1
1 125 . 3 1 1 A 12 12 ASP N N 72 129.440 128.060 1.380 1
1 126 . 3 1 1 A 13 13 GLY H H 73 8.970 8.618 0.352 1
1 127 . 3 1 1 A 13 13 GLY HA2 H 73 3.520 3.820 -0.300 1
1 128 . 3 1 1 A 13 13 GLY HA3 H 73 4.200 3.824 0.376 1
1 129 . 3 1 1 A 13 13 GLY C C 73 173.960 173.666 0.294 1
1 130 . 3 1 1 A 13 13 GLY CA C 73 45.350 45.559 -0.209 1
1 131 . 3 1 1 A 13 13 GLY N N 73 103.500 103.294 0.206 1
1 132 . 3 1 1 A 14 14 GLU H H 74 7.660 7.868 -0.208 1
1 133 . 3 1 1 A 14 14 GLU HA H 74 4.640 4.611 0.029 1
1 138 . 3 1 1 A 14 14 GLU C C 74 176.170 175.280 0.890 1
1 139 . 3 1 1 A 14 14 GLU CA C 74 54.460 55.107 -0.647 1
1 140 . 3 1 1 A 14 14 GLU CB C 74 32.050 32.284 -0.234 1
1 142 . 3 1 1 A 14 14 GLU N N 74 121.330 120.710 0.620 1
1 143 . 3 1 1 A 15 15 ARG H H 75 9.000 8.569 0.431 1
1 144 . 3 1 1 A 15 15 ARG HA H 75 4.120 4.097 0.023 1
1 150 . 3 1 1 A 15 15 ARG C C 75 175.230 177.128 -1.898 1
1 151 . 3 1 1 A 15 15 ARG CA C 75 56.640 56.905 -0.265 1
1 152 . 3 1 1 A 15 15 ARG CB C 75 29.720 30.703 -0.983 1
1 155 . 3 1 1 A 15 15 ARG N N 75 127.990 125.951 2.039 1
1 156 . 3 1 1 A 16 16 CYS H H 76 8.870 8.802 0.068 1
1 157 . 3 1 1 A 16 16 CYS HA H 76 4.170 4.173 -0.003 1
1 160 . 3 1 1 A 16 16 CYS CA C 76 61.840 61.828 0.012 1
1 161 . 3 1 1 A 16 16 CYS CB C 76 31.150 27.782 3.368 1
1 162 . 3 1 1 A 16 16 CYS N N 76 131.840 126.544 5.296 1
1 163 . 3 1 1 A 17 17 GLY H H 77 8.530 8.068 0.462 1
1 164 . 3 1 1 A 17 17 GLY HA2 H 77 3.680 3.955 -0.275 1
1 165 . 3 1 1 A 17 17 GLY HA3 H 77 4.340 3.966 0.374 1
1 166 . 3 1 1 A 17 17 GLY C C 77 174.620 174.056 0.564 1
1 167 . 3 1 1 A 17 17 GLY CA C 77 45.110 45.576 -0.466 1
1 168 . 3 1 1 A 17 17 GLY N N 77 111.930 108.719 3.211 1
1 169 . 3 1 1 A 18 18 ARG H H 78 8.960 7.970 0.990 1
1 170 . 3 1 1 A 18 18 ARG HA H 78 4.290 4.315 -0.025 1
1 177 . 3 1 1 A 18 18 ARG C C 78 175.270 175.967 -0.697 1
1 178 . 3 1 1 A 18 18 ARG CA C 78 56.350 55.770 0.580 1
1 179 . 3 1 1 A 18 18 ARG CB C 78 31.310 31.216 0.094 1
1 182 . 3 1 1 A 18 18 ARG N N 78 124.390 122.297 2.093 1
1 183 . 3 1 1 A 19 19 ALA H H 79 8.340 8.375 -0.035 1
1 184 . 3 1 1 A 19 19 ALA HA H 79 4.170 4.606 -0.436 1
1 188 . 3 1 1 A 19 19 ALA C C 79 177.620 177.511 0.109 1
1 189 . 3 1 1 A 19 19 ALA CA C 79 52.710 52.648 0.062 1
1 190 . 3 1 1 A 19 19 ALA CB C 79 18.710 19.091 -0.381 1
1 191 . 3 1 1 A 19 19 ALA N N 79 123.880 127.045 -3.165 1
1 192 . 3 1 1 A 20 20 ALA H H 80 8.470 9.089 -0.619 1
1 193 . 3 1 1 A 20 20 ALA HA H 80 3.540 4.578 -1.038 1
1 197 . 3 1 1 A 20 20 ALA C C 80 177.560 177.827 -0.267 1
1 198 . 3 1 1 A 20 20 ALA CA C 80 52.840 51.974 0.866 1
1 199 . 3 1 1 A 20 20 ALA CB C 80 19.050 19.790 -0.740 1
1 200 . 3 1 1 A 20 20 ALA N N 80 124.580 123.362 1.218 1
1 201 . 3 1 1 A 21 21 GLY H H 81 8.090 8.621 -0.531 1
1 202 . 3 1 1 A 21 21 GLY HA2 H 81 3.800 4.160 -0.360 1
1 203 . 3 1 1 A 21 21 GLY HA3 H 81 4.430 4.186 0.244 1
1 204 . 3 1 1 A 21 21 GLY C C 81 173.170 174.180 -1.010 1
1 205 . 3 1 1 A 21 21 GLY CA C 81 44.390 44.570 -0.180 1
1 206 . 3 1 1 A 21 21 GLY N N 81 114.000 106.582 7.418 1
1 207 . 3 1 1 A 22 22 ASN H H 82 8.690 8.706 -0.016 1
1 208 . 3 1 1 A 22 22 ASN HA H 82 4.650 4.999 -0.349 1
1 213 . 3 1 1 A 22 22 ASN C C 82 176.260 175.204 1.056 1
1 214 . 3 1 1 A 22 22 ASN CA C 82 53.580 52.342 1.238 1
1 215 . 3 1 1 A 22 22 ASN CB C 82 39.580 38.866 0.714 1
1 216 . 3 1 1 A 22 22 ASN N N 82 118.160 121.661 -3.501 1
1 218 . 3 1 1 A 23 23 ALA H H 83 8.720 7.398 1.322 1
1 219 . 3 1 1 A 23 23 ALA HA H 83 4.570 4.772 -0.202 1
1 223 . 3 1 1 A 23 23 ALA C C 83 175.910 176.044 -0.134 1
1 224 . 3 1 1 A 23 23 ALA CA C 83 52.340 50.778 1.562 1
1 225 . 3 1 1 A 23 23 ALA CB C 83 19.370 21.803 -2.433 1
1 226 . 3 1 1 A 23 23 ALA N N 83 125.180 122.466 2.714 1
1 227 . 3 1 1 A 24 24 SER H H 84 7.970 8.721 -0.751 1
1 228 . 3 1 1 A 24 24 SER HA H 84 5.310 4.875 0.435 1
1 230 . 3 1 1 A 24 24 SER C C 84 174.620 172.876 1.744 1
1 231 . 3 1 1 A 24 24 SER CA C 84 56.550 57.635 -1.085 1
1 232 . 3 1 1 A 24 24 SER CB C 84 66.420 66.337 0.083 1
1 233 . 3 1 1 A 24 24 SER N N 84 112.840 114.801 -1.961 1
1 234 . 3 1 1 A 25 25 PHE H H 85 9.580 8.894 0.686 1
1 235 . 3 1 1 A 25 25 PHE HA H 85 4.320 4.565 -0.245 1
1 241 . 3 1 1 A 25 25 PHE C C 85 173.430 175.110 -1.680 1
1 242 . 3 1 1 A 25 25 PHE CA C 85 57.780 59.167 -1.387 1
1 243 . 3 1 1 A 25 25 PHE CB C 85 38.780 39.130 -0.350 1
1 247 . 3 1 1 A 25 25 PHE N N 85 125.520 127.172 -1.652 1
1 248 . 3 1 1 A 26 26 SER H H 86 6.780 8.028 -1.248 1
1 249 . 3 1 1 A 26 26 SER HA H 86 4.430 4.872 -0.442 1
1 252 . 3 1 1 A 26 26 SER C C 86 174.200 175.249 -1.049 1
1 253 . 3 1 1 A 26 26 SER CA C 86 56.610 55.867 0.743 1
1 254 . 3 1 1 A 26 26 SER CB C 86 66.010 65.744 0.266 1
1 255 . 3 1 1 A 26 26 SER N N 86 118.860 118.886 -0.026 1
1 256 . 3 1 1 A 27 27 LYS H H 87 8.710 8.604 0.106 1
1 257 . 3 1 1 A 27 27 LYS HA H 87 3.850 3.793 0.057 1
1 263 . 3 1 1 A 27 27 LYS C C 87 178.490 178.784 -0.294 1
1 264 . 3 1 1 A 27 27 LYS CA C 87 59.390 59.411 -0.021 1
1 265 . 3 1 1 A 27 27 LYS CB C 87 31.970 32.711 -0.741 1
1 269 . 3 1 1 A 27 27 LYS N N 87 121.790 119.403 2.387 1
1 270 . 3 1 1 A 28 28 ARG H H 88 8.010 7.703 0.307 1
1 271 . 3 1 1 A 28 28 ARG HA H 88 3.990 4.023 -0.033 1
1 277 . 3 1 1 A 28 28 ARG C C 88 178.890 178.643 0.247 1
1 278 . 3 1 1 A 28 28 ARG CA C 88 59.010 58.314 0.696 1
1 279 . 3 1 1 A 28 28 ARG CB C 88 30.120 29.572 0.548 1
1 282 . 3 1 1 A 28 28 ARG N N 88 119.520 119.607 -0.087 1
1 283 . 3 1 1 A 29 29 ILE H H 89 7.350 7.670 -0.320 1
1 284 . 3 1 1 A 29 29 ILE HA H 89 3.680 3.603 0.077 1
1 294 . 3 1 1 A 29 29 ILE C C 89 177.620 177.757 -0.137 1
1 295 . 3 1 1 A 29 29 ILE CA C 89 63.170 65.346 -2.176 1
1 296 . 3 1 1 A 29 29 ILE CB C 89 36.900 37.577 -0.677 1
1 300 . 3 1 1 A 29 29 ILE N N 89 121.980 119.725 2.255 1
1 301 . 3 1 1 A 30 30 GLN H H 90 7.990 7.500 0.490 1
1 302 . 3 1 1 A 30 30 GLN HA H 90 3.630 3.940 -0.310 1
1 308 . 3 1 1 A 30 30 GLN C C 90 178.320 178.309 0.011 1
1 309 . 3 1 1 A 30 30 GLN CA C 90 59.200 59.005 0.195 1
1 310 . 3 1 1 A 30 30 GLN CB C 90 28.700 28.140 0.560 1
1 312 . 3 1 1 A 30 30 GLN N N 90 121.020 119.615 1.405 1
1 314 . 3 1 1 A 31 31 LYS H H 91 7.990 7.948 0.042 1
1 315 . 3 1 1 A 31 31 LYS HA H 91 4.090 4.040 0.050 1
1 321 . 3 1 1 A 31 31 LYS C C 91 178.650 179.122 -0.472 1
1 322 . 3 1 1 A 31 31 LYS CA C 91 58.720 59.194 -0.474 1
1 323 . 3 1 1 A 31 31 LYS CB C 91 32.220 32.342 -0.122 1
1 327 . 3 1 1 A 31 31 LYS N N 91 119.520 119.043 0.477 1
1 328 . 3 1 1 A 32 32 SER H H 92 7.770 8.477 -0.707 1
1 329 . 3 1 1 A 32 32 SER HA H 92 4.320 4.059 0.261 1
1 332 . 3 1 1 A 32 32 SER C C 92 176.110 176.588 -0.478 1
1 333 . 3 1 1 A 32 32 SER CA C 92 61.260 62.706 -1.446 1
1 334 . 3 1 1 A 32 32 SER CB C 92 63.610 62.697 0.913 1
1 335 . 3 1 1 A 32 32 SER N N 92 116.310 116.308 0.002 1
1 336 . 3 1 1 A 33 33 ILE H H 93 7.960 8.094 -0.134 1
1 337 . 3 1 1 A 33 33 ILE HA H 93 3.920 3.716 0.204 1
1 347 . 3 1 1 A 33 33 ILE C C 93 177.480 178.067 -0.587 1
1 348 . 3 1 1 A 33 33 ILE CA C 93 63.610 64.848 -1.238 1
1 349 . 3 1 1 A 33 33 ILE CB C 93 38.330 37.708 0.622 1
1 353 . 3 1 1 A 33 33 ILE N N 93 119.950 121.836 -1.886 1
1 354 . 3 1 1 A 34 34 SER H H 94 7.970 8.312 -0.342 1
1 355 . 3 1 1 A 34 34 SER HA H 94 4.390 4.021 0.369 1
1 357 . 3 1 1 A 34 34 SER C C 94 176.490 177.332 -0.842 1
1 358 . 3 1 1 A 34 34 SER CA C 94 60.560 61.475 -0.915 1
1 359 . 3 1 1 A 34 34 SER CB C 94 63.130 62.932 0.198 1
1 360 . 3 1 1 A 34 34 SER N N 94 117.230 115.567 1.663 1
1 361 . 3 1 1 A 35 35 GLN H H 95 8.220 7.805 0.415 1
1 362 . 3 1 1 A 35 35 GLN HA H 95 4.260 4.015 0.245 1
1 369 . 3 1 1 A 35 35 GLN C C 95 177.050 178.125 -1.075 1
1 370 . 3 1 1 A 35 35 GLN CA C 95 57.360 59.059 -1.699 1
1 371 . 3 1 1 A 35 35 GLN CB C 95 28.900 28.649 0.251 1
1 373 . 3 1 1 A 35 35 GLN N N 95 121.530 120.367 1.163 1
1 375 . 3 1 1 A 36 36 LYS H H 96 7.870 7.376 0.494 1
1 376 . 3 1 1 A 36 36 LYS HA H 96 4.280 4.081 0.199 1
1 383 . 3 1 1 A 36 36 LYS C C 96 176.160 176.509 -0.349 1
1 384 . 3 1 1 A 36 36 LYS CA C 96 56.570 59.205 -2.635 1
1 385 . 3 1 1 A 36 36 LYS CB C 96 33.600 32.509 1.091 1
1 389 . 3 1 1 A 36 36 LYS N N 96 118.550 117.732 0.818 1
1 390 . 3 1 1 A 37 37 LYS H H 97 8.110 8.072 0.038 1
1 391 . 3 1 1 A 37 37 LYS HA H 97 4.110 3.747 0.363 1
1 396 . 3 1 1 A 37 37 LYS C C 97 176.210 175.026 1.184 1
1 397 . 3 1 1 A 37 37 LYS CA C 97 57.230 57.304 -0.074 1
1 398 . 3 1 1 A 37 37 LYS CB C 97 30.580 29.893 0.687 1
1 402 . 3 1 1 A 37 37 LYS N N 97 117.680 116.743 0.937 1
1 403 . 3 1 1 A 38 38 VAL H H 98 7.430 7.698 -0.268 1
1 404 . 3 1 1 A 38 38 VAL HA H 98 4.350 4.766 -0.416 1
1 412 . 3 1 1 A 38 38 VAL C C 98 175.830 175.503 0.327 1
1 413 . 3 1 1 A 38 38 VAL CA C 98 60.580 58.865 1.715 1
1 414 . 3 1 1 A 38 38 VAL CB C 98 33.410 34.597 -1.187 1
1 417 . 3 1 1 A 38 38 VAL N N 98 115.860 113.921 1.939 1
1 418 . 3 1 1 A 39 39 LYS H H 99 8.960 8.616 0.344 1
1 419 . 3 1 1 A 39 39 LYS HA H 99 4.430 4.503 -0.073 1
1 425 . 3 1 1 A 39 39 LYS C C 99 175.700 174.454 1.246 1
1 426 . 3 1 1 A 39 39 LYS CA C 99 55.420 55.914 -0.494 1
1 427 . 3 1 1 A 39 39 LYS CB C 99 30.580 31.853 -1.273 1
1 431 . 3 1 1 A 39 39 LYS N N 99 127.710 119.433 8.277 1
1 432 . 3 1 1 A 40 40 ILE H H 100 7.660 7.505 0.155 1
1 433 . 3 1 1 A 40 40 ILE HA H 100 5.020 4.875 0.145 1
1 443 . 3 1 1 A 40 40 ILE C C 100 174.520 174.985 -0.465 1
1 444 . 3 1 1 A 40 40 ILE CA C 100 59.370 60.208 -0.838 1
1 445 . 3 1 1 A 40 40 ILE CB C 100 40.650 39.130 1.520 1
1 449 . 3 1 1 A 40 40 ILE N N 100 123.140 121.615 1.525 1
1 450 . 3 1 1 A 41 41 GLU H H 101 8.490 9.065 -0.575 1
1 451 . 3 1 1 A 41 41 GLU HA H 101 4.620 4.965 -0.345 1
1 456 . 3 1 1 A 41 41 GLU C C 101 173.590 174.470 -0.880 1
1 457 . 3 1 1 A 41 41 GLU CA C 101 53.740 54.141 -0.401 1
1 458 . 3 1 1 A 41 41 GLU CB C 101 34.580 33.406 1.174 1
1 460 . 3 1 1 A 41 41 GLU N N 101 123.460 124.676 -1.216 1
1 461 . 3 1 1 A 42 42 LEU H H 102 8.490 8.278 0.212 1
1 462 . 3 1 1 A 42 42 LEU HA H 102 3.790 4.413 -0.623 1
1 472 . 3 1 1 A 42 42 LEU C C 102 176.440 175.882 0.558 1
1 473 . 3 1 1 A 42 42 LEU CA C 102 55.190 54.070 1.120 1
1 474 . 3 1 1 A 42 42 LEU CB C 102 43.100 43.692 -0.592 1
1 478 . 3 1 1 A 42 42 LEU N N 102 123.470 122.707 0.763 1
1 479 . 3 1 1 A 43 43 ASP H H 103 8.770 8.427 0.343 1
1 480 . 3 1 1 A 43 43 ASP HA H 103 4.520 4.602 -0.082 1
1 483 . 3 1 1 A 43 43 ASP C C 103 177.600 175.903 1.697 1
1 484 . 3 1 1 A 43 43 ASP CA C 103 53.740 54.532 -0.792 1
1 485 . 3 1 1 A 43 43 ASP CB C 103 41.880 42.222 -0.342 1
1 486 . 3 1 1 A 43 43 ASP N N 103 127.210 125.864 1.346 1
1 487 . 3 1 1 A 44 44 LYS H H 104 8.910 8.982 -0.072 1
1 488 . 3 1 1 A 44 44 LYS HA H 104 3.920 4.259 -0.339 1
1 495 . 3 1 1 A 44 44 LYS C C 104 177.340 178.377 -1.037 1
1 496 . 3 1 1 A 44 44 LYS CA C 104 58.930 57.545 1.385 1
1 497 . 3 1 1 A 44 44 LYS CB C 104 32.000 32.612 -0.612 1
1 501 . 3 1 1 A 44 44 LYS N N 104 129.080 127.260 1.820 1
1 502 . 3 1 1 A 45 45 SER H H 105 8.740 7.797 0.943 1
1 503 . 3 1 1 A 45 45 SER HA H 105 4.370 4.346 0.024 1
1 506 . 3 1 1 A 45 45 SER C C 105 175.040 174.747 0.293 1
1 507 . 3 1 1 A 45 45 SER CA C 105 59.150 59.375 -0.225 1
1 508 . 3 1 1 A 45 45 SER CB C 105 63.830 63.087 0.743 1
1 509 . 3 1 1 A 45 45 SER N N 105 115.270 114.059 1.211 1
1 510 . 3 1 1 A 46 46 ALA H H 106 7.430 7.407 0.023 1
1 511 . 3 1 1 A 46 46 ALA HA H 106 4.150 4.177 -0.027 1
1 515 . 3 1 1 A 46 46 ALA CA C 106 53.300 51.888 1.412 1
1 516 . 3 1 1 A 46 46 ALA CB C 106 19.190 19.859 -0.669 1
1 517 . 3 1 1 A 46 46 ALA N N 106 125.120 123.796 1.324 1
1 518 . 3 1 1 A 47 47 ARG HA H 107 4.280 4.468 -0.188 1
1 526 . 3 1 1 A 48 48 HIS HA H 108 4.650 5.387 -0.737 1
1 531 . 3 1 1 A 48 48 HIS C C 108 173.160 173.201 -0.041 1
1 532 . 3 1 1 A 48 48 HIS CA C 108 54.990 53.475 1.515 1
1 533 . 3 1 1 A 48 48 HIS CB C 108 33.400 33.211 0.189 1
1 538 . 3 1 1 A 49 49 LEU H H 109 8.030 8.865 -0.835 1
1 539 . 3 1 1 A 49 49 LEU HA H 109 5.040 4.643 0.397 1
1 549 . 3 1 1 A 49 49 LEU CA C 109 54.480 53.773 0.707 1
1 550 . 3 1 1 A 49 49 LEU CB C 109 43.010 41.661 1.349 1
1 554 . 3 1 1 A 49 49 LEU N N 109 120.130 119.406 0.724 1
1 555 . 3 1 1 A 50 50 TYR HA H 110 5.020 5.214 -0.194 1
1 560 . 3 1 1 A 50 50 TYR C C 110 176.960 175.732 1.228 1
1 561 . 3 1 1 A 50 50 TYR CA C 110 60.340 56.809 3.531 1
1 562 . 3 1 1 A 50 50 TYR CB C 110 39.210 41.295 -2.085 1
1 565 . 3 1 1 A 51 51 ILE H H 111 8.510 8.937 -0.427 1
1 566 . 3 1 1 A 51 51 ILE HA H 111 5.960 5.018 0.942 1
1 576 . 3 1 1 A 51 51 ILE C C 111 177.900 175.981 1.919 1
1 577 . 3 1 1 A 51 51 ILE CA C 111 58.100 59.423 -1.323 1
1 578 . 3 1 1 A 51 51 ILE CB C 111 41.370 40.393 0.977 1
1 582 . 3 1 1 A 51 51 ILE N N 111 115.050 119.306 -4.256 1
1 583 . 3 1 1 A 52 52 CYS H H 112 9.830 8.860 0.970 1
1 584 . 3 1 1 A 52 52 CYS HA H 112 5.000 4.828 0.172 1
1 587 . 3 1 1 A 52 52 CYS C C 112 175.420 175.476 -0.056 1
1 588 . 3 1 1 A 52 52 CYS CA C 112 57.770 57.907 -0.137 1
1 589 . 3 1 1 A 52 52 CYS CB C 112 33.120 30.136 2.984 1
1 590 . 3 1 1 A 52 52 CYS N N 112 125.820 121.753 4.067 1
1 591 . 3 1 1 A 53 53 ASP H H 113 9.000 9.034 -0.034 1
1 592 . 3 1 1 A 53 53 ASP HA H 113 4.510 4.347 0.163 1
1 594 . 3 1 1 A 53 53 ASP C C 113 178.140 177.565 0.575 1
1 595 . 3 1 1 A 53 53 ASP CA C 113 57.330 57.535 -0.205 1
1 596 . 3 1 1 A 53 53 ASP CB C 113 39.730 40.616 -0.886 1
1 597 . 3 1 1 A 53 53 ASP N N 113 121.960 122.530 -0.570 1
1 598 . 3 1 1 A 54 54 TYR H H 114 8.220 8.187 0.033 1
1 599 . 3 1 1 A 54 54 TYR HA H 114 4.100 4.213 -0.113 1
1 604 . 3 1 1 A 54 54 TYR C C 114 178.410 177.213 1.197 1
1 605 . 3 1 1 A 54 54 TYR CA C 114 61.970 61.769 0.201 1
1 606 . 3 1 1 A 54 54 TYR CB C 114 37.150 39.007 -1.857 1
1 609 . 3 1 1 A 54 54 TYR N N 114 123.510 120.778 2.732 1
1 610 . 3 1 1 A 55 55 HIS H H 115 10.090 7.779 2.311 1
1 611 . 3 1 1 A 55 55 HIS HA H 115 4.040 4.299 -0.259 1
1 616 . 3 1 1 A 55 55 HIS C C 115 177.240 177.595 -0.355 1
1 617 . 3 1 1 A 55 55 HIS CA C 115 63.870 59.704 4.166 1
1 618 . 3 1 1 A 55 55 HIS CB C 115 29.600 29.469 0.131 1
1 621 . 3 1 1 A 55 55 HIS N N 115 124.830 117.024 7.806 1
1 624 . 3 1 1 A 56 56 LYS H H 116 8.830 8.305 0.525 1
1 625 . 3 1 1 A 56 56 LYS HA H 116 3.720 3.902 -0.182 1
1 633 . 3 1 1 A 56 56 LYS C C 116 178.140 178.727 -0.587 1
1 634 . 3 1 1 A 56 56 LYS CA C 116 60.590 60.068 0.522 1
1 635 . 3 1 1 A 56 56 LYS CB C 116 32.230 32.210 0.020 1
1 639 . 3 1 1 A 56 56 LYS N N 116 123.340 120.602 2.738 1
1 640 . 3 1 1 A 57 57 ASN H H 117 8.140 8.371 -0.231 1
1 641 . 3 1 1 A 57 57 ASN HA H 117 4.340 4.497 -0.157 1
1 646 . 3 1 1 A 57 57 ASN C C 117 177.570 177.567 0.003 1
1 647 . 3 1 1 A 57 57 ASN CA C 117 55.890 55.794 0.096 1
1 648 . 3 1 1 A 57 57 ASN CB C 117 38.070 39.109 -1.039 1
1 649 . 3 1 1 A 57 57 ASN N N 117 116.920 118.251 -1.331 1
1 651 . 3 1 1 A 58 58 LEU H H 118 7.890 7.615 0.275 1
1 652 . 3 1 1 A 58 58 LEU HA H 118 3.930 4.063 -0.133 1
1 662 . 3 1 1 A 58 58 LEU C C 118 179.400 178.907 0.493 1
1 663 . 3 1 1 A 58 58 LEU CA C 118 58.420 57.671 0.749 1
1 664 . 3 1 1 A 58 58 LEU CB C 118 43.170 41.601 1.569 1
1 668 . 3 1 1 A 58 58 LEU N N 118 123.590 119.839 3.751 1
1 669 . 3 1 1 A 59 59 ILE H H 119 8.360 8.402 -0.042 1
1 670 . 3 1 1 A 59 59 ILE HA H 119 3.470 3.880 -0.410 1
1 680 . 3 1 1 A 59 59 ILE C C 119 177.290 178.948 -1.658 1
1 681 . 3 1 1 A 59 59 ILE CA C 119 65.260 64.069 1.191 1
1 682 . 3 1 1 A 59 59 ILE CB C 119 38.330 37.177 1.153 1
1 686 . 3 1 1 A 59 59 ILE N N 119 118.630 119.584 -0.954 1
1 687 . 3 1 1 A 60 60 GLN H H 120 7.830 8.534 -0.704 1
1 688 . 3 1 1 A 60 60 GLN HA H 120 4.130 4.128 0.002 1
1 694 . 3 1 1 A 60 60 GLN C C 120 177.240 177.322 -0.082 1
1 695 . 3 1 1 A 60 60 GLN CA C 120 57.750 58.646 -0.896 1
1 696 . 3 1 1 A 60 60 GLN CB C 120 28.910 28.345 0.565 1
1 698 . 3 1 1 A 60 60 GLN N N 120 117.840 120.098 -2.258 1
1 700 . 3 1 1 A 61 61 SER H H 121 7.790 7.982 -0.192 1
1 701 . 3 1 1 A 61 61 SER HA H 121 4.300 4.387 -0.087 1
1 703 . 3 1 1 A 61 61 SER C C 121 175.650 173.843 1.807 1
1 704 . 3 1 1 A 61 61 SER CA C 121 60.090 59.063 1.027 1
1 705 . 3 1 1 A 61 61 SER CB C 121 63.570 62.549 1.021 1
1 706 . 3 1 1 A 61 61 SER N N 121 115.460 114.680 0.780 1
1 707 . 3 1 1 A 62 62 VAL H H 122 8.020 7.734 0.286 1
1 708 . 3 1 1 A 62 62 VAL HA H 122 4.020 4.172 -0.152 1
1 716 . 3 1 1 A 62 62 VAL C C 122 176.960 176.813 0.147 1
1 717 . 3 1 1 A 62 62 VAL CA C 122 63.600 63.550 0.050 1
1 718 . 3 1 1 A 62 62 VAL CB C 122 32.300 33.852 -1.552 1
1 721 . 3 1 1 A 62 62 VAL N N 122 121.600 119.385 2.215 1
1 722 . 3 1 1 A 63 63 ARG H H 123 8.130 8.058 0.072 1
1 723 . 3 1 1 A 63 63 ARG HA H 123 4.190 4.444 -0.254 1
1 729 . 3 1 1 A 63 63 ARG C C 123 176.490 175.045 1.445 1
1 730 . 3 1 1 A 63 63 ARG CA C 123 57.070 55.013 2.057 1
1 731 . 3 1 1 A 63 63 ARG CB C 123 30.780 30.384 0.396 1
1 734 . 3 1 1 A 63 63 ARG N N 123 122.770 117.854 4.916 1
1 735 . 3 1 1 A 64 64 ASN H H 124 8.210 7.722 0.488 1
1 736 . 3 1 1 A 64 64 ASN HA H 124 4.650 5.074 -0.424 1
1 741 . 3 1 1 A 64 64 ASN C C 124 175.310 173.465 1.845 1
1 742 . 3 1 1 A 64 64 ASN CA C 124 53.500 52.894 0.606 1
1 743 . 3 1 1 A 64 64 ASN CB C 124 38.840 38.931 -0.091 1
1 744 . 3 1 1 A 64 64 ASN N N 124 119.350 119.086 0.264 1
1 746 . 3 1 1 A 65 65 ARG H H 125 8.100 8.953 -0.853 1
1 747 . 3 1 1 A 65 65 ARG HA H 125 4.270 5.117 -0.847 1
1 752 . 3 1 1 A 65 65 ARG C C 125 176.310 174.703 1.607 1
1 753 . 3 1 1 A 65 65 ARG CA C 125 56.580 54.869 1.711 1
1 754 . 3 1 1 A 65 65 ARG CB C 125 30.810 33.533 -2.723 1
1 757 . 3 1 1 A 65 65 ARG N N 125 122.230 125.877 -3.647 1
1 758 . 3 1 1 A 66 66 ARG H H 126 8.260 9.071 -0.811 1
1 759 . 3 1 1 A 66 66 ARG HA H 126 4.270 4.988 -0.718 1
1 764 . 3 1 1 A 66 66 ARG C C 126 176.210 175.046 1.164 1
1 765 . 3 1 1 A 66 66 ARG CA C 126 56.190 54.208 1.982 1
1 766 . 3 1 1 A 66 66 ARG CB C 126 30.810 34.214 -3.404 1
1 769 . 3 1 1 A 66 66 ARG N N 126 122.760 125.741 -2.981 1
1 770 . 3 1 1 A 67 67 LYS H H 127 8.270 8.680 -0.410 1
1 771 . 3 1 1 A 67 67 LYS HA H 127 4.260 4.709 -0.449 1
1 776 . 3 1 1 A 67 67 LYS C C 127 176.450 176.231 0.219 1
1 777 . 3 1 1 A 67 67 LYS CA C 127 56.320 54.880 1.440 1
1 778 . 3 1 1 A 67 67 LYS CB C 127 33.180 32.770 0.410 1
1 782 . 3 1 1 A 67 67 LYS N N 127 123.620 122.634 0.986 1
1 783 . 3 1 1 A 68 68 ARG H H 128 8.340 8.613 -0.273 1
1 784 . 3 1 1 A 68 68 ARG HA H 128 4.270 4.165 0.105 1
1 788 . 3 1 1 A 68 68 ARG C C 128 176.250 175.273 0.977 1
1 789 . 3 1 1 A 68 68 ARG CA C 128 56.130 58.439 -2.309 1
1 790 . 3 1 1 A 68 68 ARG CB C 128 31.060 29.210 1.850 1
1 793 . 3 1 1 A 68 68 ARG N N 128 123.750 121.328 2.422 1
1 794 . 3 1 1 A 69 69 LYS H H 129 8.450 8.383 0.067 1
1 795 . 3 1 1 A 69 69 LYS HA H 129 4.250 4.491 -0.241 1
1 800 . 3 1 1 A 69 69 LYS C C 129 177.010 175.723 1.287 1
1 801 . 3 1 1 A 69 69 LYS CA C 129 57.000 57.646 -0.646 1
1 802 . 3 1 1 A 69 69 LYS CB C 129 32.940 34.574 -1.634 1
1 806 . 3 1 1 A 69 69 LYS N N 129 124.580 121.924 2.656 1
1 807 . 3 1 1 A 70 70 GLY H H 130 8.500 7.482 1.018 1
1 808 . 3 1 1 A 70 70 GLY HA2 H 130 3.910 4.047 -0.137 1
1 809 . 3 1 1 A 70 70 GLY HA3 H 130 4.010 4.047 -0.037 1
1 810 . 3 1 1 A 70 70 GLY C C 130 173.360 171.819 1.541 1
1 811 . 3 1 1 A 70 70 GLY CA C 130 45.370 45.612 -0.242 1
1 812 . 3 1 1 A 70 70 GLY N N 130 112.470 105.798 6.672 1
1 6 . 4 1 1 A 2 2 ASN HA H 62 4.610 4.106 0.504 1
1 10 . 4 1 1 A 2 2 ASN C C 62 174.760 175.121 -0.361 1
1 11 . 4 1 1 A 2 2 ASN CA C 62 53.100 54.182 -1.082 1
1 12 . 4 1 1 A 2 2 ASN CB C 62 38.790 36.707 2.083 1
1 14 . 4 1 1 A 3 3 ALA H H 63 8.300 7.939 0.361 1
1 15 . 4 1 1 A 3 3 ALA HA H 63 4.200 4.512 -0.312 1
1 19 . 4 1 1 A 3 3 ALA C C 63 178.180 178.007 0.173 1
1 20 . 4 1 1 A 3 3 ALA CA C 63 53.070 51.371 1.699 1
1 21 . 4 1 1 A 3 3 ALA CB C 63 18.960 19.841 -0.881 1
1 22 . 4 1 1 A 3 3 ALA N N 63 125.390 120.283 5.107 1
1 23 . 4 1 1 A 4 4 GLY H H 64 8.340 8.162 0.178 1
1 24 . 4 1 1 A 4 4 GLY HA2 H 64 3.800 3.886 -0.086 1
1 25 . 4 1 1 A 4 4 GLY HA3 H 64 3.860 3.889 -0.029 1
1 26 . 4 1 1 A 4 4 GLY C C 64 174.010 173.932 0.078 1
1 27 . 4 1 1 A 4 4 GLY CA C 64 45.350 45.241 0.109 1
1 28 . 4 1 1 A 4 4 GLY N N 64 109.300 106.988 2.312 1
1 29 . 4 1 1 A 5 5 GLN H H 65 7.950 7.518 0.432 1
1 30 . 4 1 1 A 5 5 GLN HA H 65 4.330 4.773 -0.443 1
1 35 . 4 1 1 A 5 5 GLN C C 65 175.560 174.930 0.630 1
1 36 . 4 1 1 A 5 5 GLN CA C 65 55.400 54.626 0.774 1
1 37 . 4 1 1 A 5 5 GLN CB C 65 29.860 30.381 -0.521 1
1 39 . 4 1 1 A 5 5 GLN N N 65 119.540 119.064 0.476 1
1 41 . 4 1 1 A 6 6 LEU H H 66 8.740 8.808 -0.068 1
1 42 . 4 1 1 A 6 6 LEU HA H 66 4.610 5.035 -0.425 1
1 52 . 4 1 1 A 6 6 LEU C C 66 175.750 175.465 0.285 1
1 53 . 4 1 1 A 6 6 LEU CA C 66 54.010 53.530 0.480 1
1 54 . 4 1 1 A 6 6 LEU CB C 66 43.490 44.889 -1.399 1
1 58 . 4 1 1 A 6 6 LEU N N 66 126.120 121.006 5.114 1
1 59 . 4 1 1 A 7 7 CYS H H 67 8.470 8.529 -0.059 1
1 60 . 4 1 1 A 7 7 CYS HA H 67 4.140 4.413 -0.273 1
1 63 . 4 1 1 A 7 7 CYS C C 67 175.320 176.333 -1.013 1
1 64 . 4 1 1 A 7 7 CYS CA C 67 60.780 59.870 0.910 1
1 65 . 4 1 1 A 7 7 CYS CB C 67 32.850 28.567 4.283 1
1 66 . 4 1 1 A 7 7 CYS N N 67 123.170 122.835 0.335 1
1 67 . 4 1 1 A 8 8 CYS H H 68 8.170 8.763 -0.593 1
1 68 . 4 1 1 A 8 8 CYS HA H 68 4.280 4.663 -0.383 1
1 72 . 4 1 1 A 8 8 CYS C C 68 172.410 174.008 -1.598 1
1 73 . 4 1 1 A 8 8 CYS CA C 68 58.920 58.447 0.473 1
1 74 . 4 1 1 A 8 8 CYS CB C 68 28.920 27.422 1.498 1
1 75 . 4 1 1 A 8 8 CYS N N 68 124.700 122.554 2.146 1
1 76 . 4 1 1 A 9 9 LEU H H 69 8.180 7.098 1.082 1
1 77 . 4 1 1 A 9 9 LEU HA H 69 4.580 4.731 -0.151 1
1 87 . 4 1 1 A 9 9 LEU C C 69 176.770 175.668 1.102 1
1 88 . 4 1 1 A 9 9 LEU CA C 69 54.760 53.481 1.279 1
1 89 . 4 1 1 A 9 9 LEU CB C 69 43.150 45.492 -2.342 1
1 93 . 4 1 1 A 9 9 LEU N N 69 122.650 122.141 0.509 1
1 94 . 4 1 1 A 10 10 ARG H H 70 8.880 8.405 0.475 1
1 95 . 4 1 1 A 10 10 ARG HA H 70 4.770 5.166 -0.396 1
1 102 . 4 1 1 A 10 10 ARG C C 70 174.900 174.146 0.754 1
1 103 . 4 1 1 A 10 10 ARG CA C 70 54.710 54.457 0.253 1
1 104 . 4 1 1 A 10 10 ARG CB C 70 33.390 31.928 1.462 1
1 107 . 4 1 1 A 10 10 ARG N N 70 117.650 121.843 -4.193 1
1 108 . 4 1 1 A 11 11 GLU H H 71 8.640 9.066 -0.426 1
1 109 . 4 1 1 A 11 11 GLU HA H 71 5.090 4.637 0.453 1
1 113 . 4 1 1 A 11 11 GLU C C 71 176.070 175.637 0.433 1
1 114 . 4 1 1 A 11 11 GLU CA C 71 54.270 55.550 -1.280 1
1 115 . 4 1 1 A 11 11 GLU CB C 71 32.460 30.775 1.685 1
1 117 . 4 1 1 A 11 11 GLU N N 71 123.910 125.628 -1.718 1
1 118 . 4 1 1 A 12 12 ASP H H 72 9.510 9.532 -0.022 1
1 119 . 4 1 1 A 12 12 ASP HA H 72 4.270 4.417 -0.147 1
1 122 . 4 1 1 A 12 12 ASP C C 72 175.890 176.356 -0.466 1
1 123 . 4 1 1 A 12 12 ASP CA C 72 55.880 55.375 0.505 1
1 124 . 4 1 1 A 12 12 ASP CB C 72 39.910 39.788 0.122 1
1 125 . 4 1 1 A 12 12 ASP N N 72 129.440 128.161 1.279 1
1 126 . 4 1 1 A 13 13 GLY H H 73 8.970 8.408 0.562 1
1 127 . 4 1 1 A 13 13 GLY HA2 H 73 3.520 3.842 -0.322 1
1 128 . 4 1 1 A 13 13 GLY HA3 H 73 4.200 3.845 0.355 1
1 129 . 4 1 1 A 13 13 GLY C C 73 173.960 173.912 0.048 1
1 130 . 4 1 1 A 13 13 GLY CA C 73 45.350 45.243 0.107 1
1 131 . 4 1 1 A 13 13 GLY N N 73 103.500 103.565 -0.065 1
1 132 . 4 1 1 A 14 14 GLU H H 74 7.660 7.768 -0.108 1
1 133 . 4 1 1 A 14 14 GLU HA H 74 4.640 4.420 0.220 1
1 138 . 4 1 1 A 14 14 GLU C C 74 176.170 175.972 0.198 1
1 139 . 4 1 1 A 14 14 GLU CA C 74 54.460 56.102 -1.642 1
1 140 . 4 1 1 A 14 14 GLU CB C 74 32.050 30.517 1.533 1
1 142 . 4 1 1 A 14 14 GLU N N 74 121.330 120.491 0.839 1
1 143 . 4 1 1 A 15 15 ARG H H 75 9.000 8.600 0.400 1
1 144 . 4 1 1 A 15 15 ARG HA H 75 4.120 4.360 -0.240 1
1 150 . 4 1 1 A 15 15 ARG C C 75 175.230 175.986 -0.756 1
1 151 . 4 1 1 A 15 15 ARG CA C 75 56.640 55.005 1.635 1
1 152 . 4 1 1 A 15 15 ARG CB C 75 29.720 28.735 0.985 1
1 155 . 4 1 1 A 15 15 ARG N N 75 127.990 125.122 2.868 1
1 156 . 4 1 1 A 16 16 CYS H H 76 8.870 9.004 -0.134 1
1 157 . 4 1 1 A 16 16 CYS HA H 76 4.170 4.350 -0.180 1
1 160 . 4 1 1 A 16 16 CYS CA C 76 61.840 61.218 0.622 1
1 161 . 4 1 1 A 16 16 CYS CB C 76 31.150 27.971 3.179 1
1 162 . 4 1 1 A 16 16 CYS N N 76 131.840 124.713 7.127 1
1 163 . 4 1 1 A 17 17 GLY H H 77 8.530 7.872 0.658 1
1 164 . 4 1 1 A 17 17 GLY HA2 H 77 3.680 3.970 -0.290 1
1 165 . 4 1 1 A 17 17 GLY HA3 H 77 4.340 3.991 0.349 1
1 166 . 4 1 1 A 17 17 GLY C C 77 174.620 174.321 0.299 1
1 167 . 4 1 1 A 17 17 GLY CA C 77 45.110 45.043 0.067 1
1 168 . 4 1 1 A 17 17 GLY N N 77 111.930 108.517 3.413 1
1 169 . 4 1 1 A 18 18 ARG H H 78 8.960 7.824 1.136 1
1 170 . 4 1 1 A 18 18 ARG HA H 78 4.290 4.347 -0.057 1
1 177 . 4 1 1 A 18 18 ARG C C 78 175.270 175.922 -0.652 1
1 178 . 4 1 1 A 18 18 ARG CA C 78 56.350 55.642 0.708 1
1 179 . 4 1 1 A 18 18 ARG CB C 78 31.310 31.333 -0.023 1
1 182 . 4 1 1 A 18 18 ARG N N 78 124.390 122.314 2.076 1
1 183 . 4 1 1 A 19 19 ALA H H 79 8.340 8.373 -0.033 1
1 184 . 4 1 1 A 19 19 ALA HA H 79 4.170 4.275 -0.105 1
1 188 . 4 1 1 A 19 19 ALA C C 79 177.620 177.200 0.420 1
1 189 . 4 1 1 A 19 19 ALA CA C 79 52.710 52.057 0.653 1
1 190 . 4 1 1 A 19 19 ALA CB C 79 18.710 19.076 -0.366 1
1 191 . 4 1 1 A 19 19 ALA N N 79 123.880 127.213 -3.333 1
1 192 . 4 1 1 A 20 20 ALA H H 80 8.470 9.079 -0.609 1
1 193 . 4 1 1 A 20 20 ALA HA H 80 3.540 4.373 -0.833 1
1 197 . 4 1 1 A 20 20 ALA C C 80 177.560 177.833 -0.273 1
1 198 . 4 1 1 A 20 20 ALA CA C 80 52.840 52.230 0.610 1
1 199 . 4 1 1 A 20 20 ALA CB C 80 19.050 19.381 -0.331 1
1 200 . 4 1 1 A 20 20 ALA N N 80 124.580 123.169 1.411 1
1 201 . 4 1 1 A 21 21 GLY H H 81 8.090 8.322 -0.232 1
1 202 . 4 1 1 A 21 21 GLY HA2 H 81 3.800 4.172 -0.372 1
1 203 . 4 1 1 A 21 21 GLY HA3 H 81 4.430 4.203 0.227 1
1 204 . 4 1 1 A 21 21 GLY C C 81 173.170 174.268 -1.098 1
1 205 . 4 1 1 A 21 21 GLY CA C 81 44.390 44.446 -0.056 1
1 206 . 4 1 1 A 21 21 GLY N N 81 114.000 107.473 6.527 1
1 207 . 4 1 1 A 22 22 ASN H H 82 8.690 8.597 0.093 1
1 208 . 4 1 1 A 22 22 ASN HA H 82 4.650 4.775 -0.125 1
1 213 . 4 1 1 A 22 22 ASN C C 82 176.260 175.525 0.735 1
1 214 . 4 1 1 A 22 22 ASN CA C 82 53.580 53.153 0.427 1
1 215 . 4 1 1 A 22 22 ASN CB C 82 39.580 39.005 0.575 1
1 216 . 4 1 1 A 22 22 ASN N N 82 118.160 117.007 1.153 1
1 218 . 4 1 1 A 23 23 ALA H H 83 8.720 7.688 1.032 1
1 219 . 4 1 1 A 23 23 ALA HA H 83 4.570 4.392 0.178 1
1 223 . 4 1 1 A 23 23 ALA C C 83 175.910 177.236 -1.326 1
1 224 . 4 1 1 A 23 23 ALA CA C 83 52.340 52.142 0.198 1
1 225 . 4 1 1 A 23 23 ALA CB C 83 19.370 20.086 -0.716 1
1 226 . 4 1 1 A 23 23 ALA N N 83 125.180 123.926 1.254 1
1 227 . 4 1 1 A 24 24 SER H H 84 7.970 8.782 -0.812 1
1 228 . 4 1 1 A 24 24 SER HA H 84 5.310 5.121 0.189 1
1 230 . 4 1 1 A 24 24 SER C C 84 174.620 172.508 2.112 1
1 231 . 4 1 1 A 24 24 SER CA C 84 56.550 57.135 -0.585 1
1 232 . 4 1 1 A 24 24 SER CB C 84 66.420 66.867 -0.447 1
1 233 . 4 1 1 A 24 24 SER N N 84 112.840 111.420 1.420 1
1 234 . 4 1 1 A 25 25 PHE H H 85 9.580 8.743 0.837 1
1 235 . 4 1 1 A 25 25 PHE HA H 85 4.320 5.330 -1.010 1
1 241 . 4 1 1 A 25 25 PHE C C 85 173.430 173.868 -0.438 1
1 242 . 4 1 1 A 25 25 PHE CA C 85 57.780 56.353 1.427 1
1 243 . 4 1 1 A 25 25 PHE CB C 85 38.780 42.309 -3.529 1
1 247 . 4 1 1 A 25 25 PHE N N 85 125.520 122.652 2.868 1
1 248 . 4 1 1 A 26 26 SER H H 86 6.780 8.332 -1.552 1
1 249 . 4 1 1 A 26 26 SER HA H 86 4.430 4.770 -0.340 1
1 252 . 4 1 1 A 26 26 SER C C 86 174.200 174.436 -0.236 1
1 253 . 4 1 1 A 26 26 SER CA C 86 56.610 56.274 0.336 1
1 254 . 4 1 1 A 26 26 SER CB C 86 66.010 65.891 0.119 1
1 255 . 4 1 1 A 26 26 SER N N 86 118.860 119.549 -0.689 1
1 256 . 4 1 1 A 27 27 LYS H H 87 8.710 8.830 -0.120 1
1 257 . 4 1 1 A 27 27 LYS HA H 87 3.850 3.751 0.099 1
1 263 . 4 1 1 A 27 27 LYS C C 87 178.490 178.715 -0.225 1
1 264 . 4 1 1 A 27 27 LYS CA C 87 59.390 59.537 -0.147 1
1 265 . 4 1 1 A 27 27 LYS CB C 87 31.970 32.710 -0.740 1
1 269 . 4 1 1 A 27 27 LYS N N 87 121.790 118.973 2.817 1
1 270 . 4 1 1 A 28 28 ARG H H 88 8.010 7.705 0.305 1
1 271 . 4 1 1 A 28 28 ARG HA H 88 3.990 4.018 -0.028 1
1 277 . 4 1 1 A 28 28 ARG C C 88 178.890 178.789 0.101 1
1 278 . 4 1 1 A 28 28 ARG CA C 88 59.010 58.588 0.422 1
1 279 . 4 1 1 A 28 28 ARG CB C 88 30.120 29.741 0.379 1
1 282 . 4 1 1 A 28 28 ARG N N 88 119.520 119.663 -0.143 1
1 283 . 4 1 1 A 29 29 ILE H H 89 7.350 7.606 -0.256 1
1 284 . 4 1 1 A 29 29 ILE HA H 89 3.680 3.709 -0.029 1
1 294 . 4 1 1 A 29 29 ILE C C 89 177.620 177.922 -0.302 1
1 295 . 4 1 1 A 29 29 ILE CA C 89 63.170 65.044 -1.874 1
1 296 . 4 1 1 A 29 29 ILE CB C 89 36.900 36.863 0.037 1
1 300 . 4 1 1 A 29 29 ILE N N 89 121.980 119.840 2.140 1
1 301 . 4 1 1 A 30 30 GLN H H 90 7.990 7.623 0.367 1
1 302 . 4 1 1 A 30 30 GLN HA H 90 3.630 3.934 -0.304 1
1 308 . 4 1 1 A 30 30 GLN C C 90 178.320 178.337 -0.017 1
1 309 . 4 1 1 A 30 30 GLN CA C 90 59.200 59.239 -0.039 1
1 310 . 4 1 1 A 30 30 GLN CB C 90 28.700 28.055 0.645 1
1 312 . 4 1 1 A 30 30 GLN N N 90 121.020 120.896 0.124 1
1 314 . 4 1 1 A 31 31 LYS H H 91 7.990 8.331 -0.341 1
1 315 . 4 1 1 A 31 31 LYS HA H 91 4.090 4.099 -0.009 1
1 321 . 4 1 1 A 31 31 LYS C C 91 178.650 179.423 -0.773 1
1 322 . 4 1 1 A 31 31 LYS CA C 91 58.720 58.851 -0.131 1
1 323 . 4 1 1 A 31 31 LYS CB C 91 32.220 32.118 0.102 1
1 327 . 4 1 1 A 31 31 LYS N N 91 119.520 119.640 -0.120 1
1 328 . 4 1 1 A 32 32 SER H H 92 7.770 8.122 -0.352 1
1 329 . 4 1 1 A 32 32 SER HA H 92 4.320 4.101 0.219 1
1 332 . 4 1 1 A 32 32 SER C C 92 176.110 176.750 -0.640 1
1 333 . 4 1 1 A 32 32 SER CA C 92 61.260 62.663 -1.403 1
1 334 . 4 1 1 A 32 32 SER CB C 92 63.610 62.795 0.815 1
1 335 . 4 1 1 A 32 32 SER N N 92 116.310 116.630 -0.320 1
1 336 . 4 1 1 A 33 33 ILE H H 93 7.960 7.617 0.343 1
1 337 . 4 1 1 A 33 33 ILE HA H 93 3.920 3.893 0.027 1
1 347 . 4 1 1 A 33 33 ILE C C 93 177.480 177.947 -0.467 1
1 348 . 4 1 1 A 33 33 ILE CA C 93 63.610 64.228 -0.618 1
1 349 . 4 1 1 A 33 33 ILE CB C 93 38.330 37.522 0.808 1
1 353 . 4 1 1 A 33 33 ILE N N 93 119.950 121.730 -1.780 1
1 354 . 4 1 1 A 34 34 SER H H 94 7.970 8.313 -0.343 1
1 355 . 4 1 1 A 34 34 SER HA H 94 4.390 4.015 0.375 1
1 357 . 4 1 1 A 34 34 SER C C 94 176.490 177.152 -0.662 1
1 358 . 4 1 1 A 34 34 SER CA C 94 60.560 61.619 -1.059 1
1 359 . 4 1 1 A 34 34 SER CB C 94 63.130 62.789 0.341 1
1 360 . 4 1 1 A 34 34 SER N N 94 117.230 115.915 1.315 1
1 361 . 4 1 1 A 35 35 GLN H H 95 8.220 7.901 0.319 1
1 362 . 4 1 1 A 35 35 GLN HA H 95 4.260 4.051 0.209 1
1 369 . 4 1 1 A 35 35 GLN C C 95 177.050 178.204 -1.154 1
1 370 . 4 1 1 A 35 35 GLN CA C 95 57.360 58.959 -1.599 1
1 371 . 4 1 1 A 35 35 GLN CB C 95 28.900 28.484 0.416 1
1 373 . 4 1 1 A 35 35 GLN N N 95 121.530 120.401 1.129 1
1 375 . 4 1 1 A 36 36 LYS H H 96 7.870 7.262 0.608 1
1 376 . 4 1 1 A 36 36 LYS HA H 96 4.280 4.122 0.158 1
1 383 . 4 1 1 A 36 36 LYS C C 96 176.160 176.584 -0.424 1
1 384 . 4 1 1 A 36 36 LYS CA C 96 56.570 59.348 -2.778 1
1 385 . 4 1 1 A 36 36 LYS CB C 96 33.600 32.711 0.889 1
1 389 . 4 1 1 A 36 36 LYS N N 96 118.550 116.313 2.237 1
1 390 . 4 1 1 A 37 37 LYS H H 97 8.110 8.680 -0.570 1
1 391 . 4 1 1 A 37 37 LYS HA H 97 4.110 3.912 0.198 1
1 396 . 4 1 1 A 37 37 LYS C C 97 176.210 175.253 0.957 1
1 397 . 4 1 1 A 37 37 LYS CA C 97 57.230 57.054 0.176 1
1 398 . 4 1 1 A 37 37 LYS CB C 97 30.580 30.446 0.134 1
1 402 . 4 1 1 A 37 37 LYS N N 97 117.680 116.919 0.761 1
1 403 . 4 1 1 A 38 38 VAL H H 98 7.430 7.794 -0.364 1
1 404 . 4 1 1 A 38 38 VAL HA H 98 4.350 4.900 -0.550 1
1 412 . 4 1 1 A 38 38 VAL C C 98 175.830 174.631 1.199 1
1 413 . 4 1 1 A 38 38 VAL CA C 98 60.580 58.630 1.950 1
1 414 . 4 1 1 A 38 38 VAL CB C 98 33.410 35.174 -1.764 1
1 417 . 4 1 1 A 38 38 VAL N N 98 115.860 114.647 1.213 1
1 418 . 4 1 1 A 39 39 LYS H H 99 8.960 8.314 0.646 1
1 419 . 4 1 1 A 39 39 LYS HA H 99 4.430 4.397 0.033 1
1 425 . 4 1 1 A 39 39 LYS C C 99 175.700 174.661 1.039 1
1 426 . 4 1 1 A 39 39 LYS CA C 99 55.420 56.162 -0.742 1
1 427 . 4 1 1 A 39 39 LYS CB C 99 30.580 30.628 -0.048 1
1 431 . 4 1 1 A 39 39 LYS N N 99 127.710 120.729 6.981 1
1 432 . 4 1 1 A 40 40 ILE H H 100 7.660 7.997 -0.337 1
1 433 . 4 1 1 A 40 40 ILE HA H 100 5.020 5.016 0.004 1
1 443 . 4 1 1 A 40 40 ILE C C 100 174.520 175.026 -0.506 1
1 444 . 4 1 1 A 40 40 ILE CA C 100 59.370 60.609 -1.239 1
1 445 . 4 1 1 A 40 40 ILE CB C 100 40.650 40.365 0.285 1
1 449 . 4 1 1 A 40 40 ILE N N 100 123.140 124.984 -1.844 1
1 450 . 4 1 1 A 41 41 GLU H H 101 8.490 8.956 -0.466 1
1 451 . 4 1 1 A 41 41 GLU HA H 101 4.620 4.952 -0.332 1
1 456 . 4 1 1 A 41 41 GLU C C 101 173.590 174.966 -1.376 1
1 457 . 4 1 1 A 41 41 GLU CA C 101 53.740 54.481 -0.741 1
1 458 . 4 1 1 A 41 41 GLU CB C 101 34.580 33.437 1.143 1
1 460 . 4 1 1 A 41 41 GLU N N 101 123.460 124.977 -1.517 1
1 461 . 4 1 1 A 42 42 LEU H H 102 8.490 8.276 0.214 1
1 462 . 4 1 1 A 42 42 LEU HA H 102 3.790 4.362 -0.572 1
1 472 . 4 1 1 A 42 42 LEU C C 102 176.440 176.246 0.194 1
1 473 . 4 1 1 A 42 42 LEU CA C 102 55.190 54.817 0.373 1
1 474 . 4 1 1 A 42 42 LEU CB C 102 43.100 42.870 0.230 1
1 478 . 4 1 1 A 42 42 LEU N N 102 123.470 125.060 -1.590 1
1 479 . 4 1 1 A 43 43 ASP H H 103 8.770 8.228 0.542 1
1 480 . 4 1 1 A 43 43 ASP HA H 103 4.520 4.502 0.018 1
1 483 . 4 1 1 A 43 43 ASP C C 103 177.600 175.909 1.691 1
1 484 . 4 1 1 A 43 43 ASP CA C 103 53.740 54.495 -0.755 1
1 485 . 4 1 1 A 43 43 ASP CB C 103 41.880 42.284 -0.404 1
1 486 . 4 1 1 A 43 43 ASP N N 103 127.210 125.603 1.607 1
1 487 . 4 1 1 A 44 44 LYS H H 104 8.910 8.967 -0.057 1
1 488 . 4 1 1 A 44 44 LYS HA H 104 3.920 4.295 -0.375 1
1 495 . 4 1 1 A 44 44 LYS C C 104 177.340 178.782 -1.442 1
1 496 . 4 1 1 A 44 44 LYS CA C 104 58.930 57.546 1.384 1
1 497 . 4 1 1 A 44 44 LYS CB C 104 32.000 33.148 -1.148 1
1 501 . 4 1 1 A 44 44 LYS N N 104 129.080 126.054 3.026 1
1 502 . 4 1 1 A 45 45 SER H H 105 8.740 8.100 0.640 1
1 503 . 4 1 1 A 45 45 SER HA H 105 4.370 4.218 0.152 1
1 506 . 4 1 1 A 45 45 SER C C 105 175.040 175.352 -0.312 1
1 507 . 4 1 1 A 45 45 SER CA C 105 59.150 61.375 -2.225 1
1 508 . 4 1 1 A 45 45 SER CB C 105 63.830 62.554 1.276 1
1 509 . 4 1 1 A 45 45 SER N N 105 115.270 113.957 1.313 1
1 510 . 4 1 1 A 46 46 ALA H H 106 7.430 7.507 -0.077 1
1 511 . 4 1 1 A 46 46 ALA HA H 106 4.150 4.027 0.123 1
1 515 . 4 1 1 A 46 46 ALA CA C 106 53.300 53.076 0.224 1
1 516 . 4 1 1 A 46 46 ALA CB C 106 19.190 19.234 -0.044 1
1 517 . 4 1 1 A 46 46 ALA N N 106 125.120 125.299 -0.179 1
1 518 . 4 1 1 A 47 47 ARG HA H 107 4.280 4.653 -0.373 1
1 526 . 4 1 1 A 48 48 HIS HA H 108 4.650 4.955 -0.305 1
1 531 . 4 1 1 A 48 48 HIS C C 108 173.160 172.519 0.641 1
1 532 . 4 1 1 A 48 48 HIS CA C 108 54.990 54.598 0.392 1
1 533 . 4 1 1 A 48 48 HIS CB C 108 33.400 31.345 2.055 1
1 538 . 4 1 1 A 49 49 LEU H H 109 8.030 8.705 -0.675 1
1 539 . 4 1 1 A 49 49 LEU HA H 109 5.040 4.662 0.378 1
1 549 . 4 1 1 A 49 49 LEU CA C 109 54.480 53.817 0.663 1
1 550 . 4 1 1 A 49 49 LEU CB C 109 43.010 42.493 0.517 1
1 554 . 4 1 1 A 49 49 LEU N N 109 120.130 120.111 0.019 1
1 555 . 4 1 1 A 50 50 TYR HA H 110 5.020 5.154 -0.134 1
1 560 . 4 1 1 A 50 50 TYR C C 110 176.960 175.838 1.122 1
1 561 . 4 1 1 A 50 50 TYR CA C 110 60.340 56.517 3.823 1
1 562 . 4 1 1 A 50 50 TYR CB C 110 39.210 40.278 -1.068 1
1 565 . 4 1 1 A 51 51 ILE H H 111 8.510 8.890 -0.380 1
1 566 . 4 1 1 A 51 51 ILE HA H 111 5.960 4.868 1.092 1
1 576 . 4 1 1 A 51 51 ILE C C 111 177.900 176.136 1.764 1
1 577 . 4 1 1 A 51 51 ILE CA C 111 58.100 59.534 -1.434 1
1 578 . 4 1 1 A 51 51 ILE CB C 111 41.370 40.001 1.369 1
1 582 . 4 1 1 A 51 51 ILE N N 111 115.050 120.305 -5.255 1
1 583 . 4 1 1 A 52 52 CYS H H 112 9.830 8.917 0.913 1
1 584 . 4 1 1 A 52 52 CYS HA H 112 5.000 4.878 0.122 1
1 587 . 4 1 1 A 52 52 CYS C C 112 175.420 175.690 -0.270 1
1 588 . 4 1 1 A 52 52 CYS CA C 112 57.770 57.599 0.171 1
1 589 . 4 1 1 A 52 52 CYS CB C 112 33.120 30.305 2.815 1
1 590 . 4 1 1 A 52 52 CYS N N 112 125.820 121.803 4.017 1
1 591 . 4 1 1 A 53 53 ASP H H 113 9.000 8.879 0.121 1
1 592 . 4 1 1 A 53 53 ASP HA H 113 4.510 4.382 0.128 1
1 594 . 4 1 1 A 53 53 ASP C C 113 178.140 177.633 0.507 1
1 595 . 4 1 1 A 53 53 ASP CA C 113 57.330 57.291 0.039 1
1 596 . 4 1 1 A 53 53 ASP CB C 113 39.730 40.473 -0.743 1
1 597 . 4 1 1 A 53 53 ASP N N 113 121.960 121.556 0.404 1
1 598 . 4 1 1 A 54 54 TYR H H 114 8.220 8.231 -0.011 1
1 599 . 4 1 1 A 54 54 TYR HA H 114 4.100 4.132 -0.032 1
1 604 . 4 1 1 A 54 54 TYR C C 114 178.410 177.263 1.147 1
1 605 . 4 1 1 A 54 54 TYR CA C 114 61.970 61.815 0.155 1
1 606 . 4 1 1 A 54 54 TYR CB C 114 37.150 38.892 -1.742 1
1 609 . 4 1 1 A 54 54 TYR N N 114 123.510 122.129 1.381 1
1 610 . 4 1 1 A 55 55 HIS H H 115 10.090 8.235 1.855 1
1 611 . 4 1 1 A 55 55 HIS HA H 115 4.040 4.017 0.023 1
1 616 . 4 1 1 A 55 55 HIS C C 115 177.240 177.427 -0.187 1
1 617 . 4 1 1 A 55 55 HIS CA C 115 63.870 59.404 4.466 1
1 618 . 4 1 1 A 55 55 HIS CB C 115 29.600 29.600 0.000 1
1 621 . 4 1 1 A 55 55 HIS N N 115 124.830 116.903 7.927 1
1 624 . 4 1 1 A 56 56 LYS H H 116 8.830 8.176 0.654 1
1 625 . 4 1 1 A 56 56 LYS HA H 116 3.720 3.882 -0.162 1
1 633 . 4 1 1 A 56 56 LYS C C 116 178.140 178.858 -0.718 1
1 634 . 4 1 1 A 56 56 LYS CA C 116 60.590 60.063 0.527 1
1 635 . 4 1 1 A 56 56 LYS CB C 116 32.230 32.269 -0.039 1
1 639 . 4 1 1 A 56 56 LYS N N 116 123.340 120.618 2.722 1
1 640 . 4 1 1 A 57 57 ASN H H 117 8.140 8.222 -0.082 1
1 641 . 4 1 1 A 57 57 ASN HA H 117 4.340 4.495 -0.155 1
1 646 . 4 1 1 A 57 57 ASN C C 117 177.570 177.321 0.249 1
1 647 . 4 1 1 A 57 57 ASN CA C 117 55.890 56.241 -0.351 1
1 648 . 4 1 1 A 57 57 ASN CB C 117 38.070 38.731 -0.661 1
1 649 . 4 1 1 A 57 57 ASN N N 117 116.920 118.336 -1.416 1
1 651 . 4 1 1 A 58 58 LEU H H 118 7.890 7.767 0.123 1
1 652 . 4 1 1 A 58 58 LEU HA H 118 3.930 3.994 -0.064 1
1 662 . 4 1 1 A 58 58 LEU C C 118 179.400 178.851 0.549 1
1 663 . 4 1 1 A 58 58 LEU CA C 118 58.420 58.146 0.274 1
1 664 . 4 1 1 A 58 58 LEU CB C 118 43.170 41.472 1.698 1
1 668 . 4 1 1 A 58 58 LEU N N 118 123.590 120.162 3.428 1
1 669 . 4 1 1 A 59 59 ILE H H 119 8.360 7.946 0.414 1
1 670 . 4 1 1 A 59 59 ILE HA H 119 3.470 3.817 -0.347 1
1 680 . 4 1 1 A 59 59 ILE C C 119 177.290 178.423 -1.133 1
1 681 . 4 1 1 A 59 59 ILE CA C 119 65.260 64.632 0.628 1
1 682 . 4 1 1 A 59 59 ILE CB C 119 38.330 37.753 0.577 1
1 686 . 4 1 1 A 59 59 ILE N N 119 118.630 119.418 -0.788 1
1 687 . 4 1 1 A 60 60 GLN H H 120 7.830 8.293 -0.463 1
1 688 . 4 1 1 A 60 60 GLN HA H 120 4.130 4.067 0.063 1
1 694 . 4 1 1 A 60 60 GLN C C 120 177.240 176.560 0.680 1
1 695 . 4 1 1 A 60 60 GLN CA C 120 57.750 58.482 -0.732 1
1 696 . 4 1 1 A 60 60 GLN CB C 120 28.910 28.861 0.049 1
1 698 . 4 1 1 A 60 60 GLN N N 120 117.840 120.090 -2.250 1
1 700 . 4 1 1 A 61 61 SER H H 121 7.790 7.564 0.226 1
1 701 . 4 1 1 A 61 61 SER HA H 121 4.300 4.868 -0.568 1
1 703 . 4 1 1 A 61 61 SER C C 121 175.650 174.260 1.390 1
1 704 . 4 1 1 A 61 61 SER CA C 121 60.090 56.974 3.116 1
1 705 . 4 1 1 A 61 61 SER CB C 121 63.570 62.350 1.220 1
1 706 . 4 1 1 A 61 61 SER N N 121 115.460 113.086 2.374 1
1 707 . 4 1 1 A 62 62 VAL H H 122 8.020 8.104 -0.084 1
1 708 . 4 1 1 A 62 62 VAL HA H 122 4.020 4.253 -0.233 1
1 716 . 4 1 1 A 62 62 VAL C C 122 176.960 176.873 0.087 1
1 717 . 4 1 1 A 62 62 VAL CA C 122 63.600 63.533 0.067 1
1 718 . 4 1 1 A 62 62 VAL CB C 122 32.300 34.347 -2.047 1
1 721 . 4 1 1 A 62 62 VAL N N 122 121.600 121.566 0.034 1
1 722 . 4 1 1 A 63 63 ARG H H 123 8.130 8.267 -0.137 1
1 723 . 4 1 1 A 63 63 ARG HA H 123 4.190 4.503 -0.313 1
1 729 . 4 1 1 A 63 63 ARG C C 123 176.490 174.703 1.787 1
1 730 . 4 1 1 A 63 63 ARG CA C 123 57.070 55.113 1.957 1
1 731 . 4 1 1 A 63 63 ARG CB C 123 30.780 30.887 -0.107 1
1 734 . 4 1 1 A 63 63 ARG N N 123 122.770 117.988 4.782 1
1 735 . 4 1 1 A 64 64 ASN H H 124 8.210 7.800 0.410 1
1 736 . 4 1 1 A 64 64 ASN HA H 124 4.650 5.105 -0.455 1
1 741 . 4 1 1 A 64 64 ASN C C 124 175.310 174.169 1.141 1
1 742 . 4 1 1 A 64 64 ASN CA C 124 53.500 53.008 0.492 1
1 743 . 4 1 1 A 64 64 ASN CB C 124 38.840 40.606 -1.766 1
1 744 . 4 1 1 A 64 64 ASN N N 124 119.350 119.090 0.260 1
1 746 . 4 1 1 A 65 65 ARG H H 125 8.100 8.811 -0.711 1
1 747 . 4 1 1 A 65 65 ARG HA H 125 4.270 4.636 -0.366 1
1 752 . 4 1 1 A 65 65 ARG C C 125 176.310 175.221 1.089 1
1 753 . 4 1 1 A 65 65 ARG CA C 125 56.580 55.339 1.241 1
1 754 . 4 1 1 A 65 65 ARG CB C 125 30.810 31.859 -1.049 1
1 757 . 4 1 1 A 65 65 ARG N N 125 122.230 126.282 -4.052 1
1 758 . 4 1 1 A 66 66 ARG H H 126 8.260 8.485 -0.225 1
1 759 . 4 1 1 A 66 66 ARG HA H 126 4.270 4.564 -0.294 1
1 764 . 4 1 1 A 66 66 ARG C C 126 176.210 175.773 0.437 1
1 765 . 4 1 1 A 66 66 ARG CA C 126 56.190 55.094 1.096 1
1 766 . 4 1 1 A 66 66 ARG CB C 126 30.810 31.665 -0.855 1
1 769 . 4 1 1 A 66 66 ARG N N 126 122.760 120.983 1.777 1
1 770 . 4 1 1 A 67 67 LYS H H 127 8.270 8.827 -0.557 1
1 771 . 4 1 1 A 67 67 LYS HA H 127 4.260 4.249 0.011 1
1 776 . 4 1 1 A 67 67 LYS C C 127 176.450 176.191 0.259 1
1 777 . 4 1 1 A 67 67 LYS CA C 127 56.320 58.356 -2.036 1
1 778 . 4 1 1 A 67 67 LYS CB C 127 33.180 31.948 1.232 1
1 782 . 4 1 1 A 67 67 LYS N N 127 123.620 127.779 -4.159 1
1 783 . 4 1 1 A 68 68 ARG H H 128 8.340 8.709 -0.369 1
1 784 . 4 1 1 A 68 68 ARG HA H 128 4.270 4.530 -0.260 1
1 788 . 4 1 1 A 68 68 ARG C C 128 176.250 176.142 0.108 1
1 789 . 4 1 1 A 68 68 ARG CA C 128 56.130 57.422 -1.292 1
1 790 . 4 1 1 A 68 68 ARG CB C 128 31.060 33.024 -1.964 1
1 793 . 4 1 1 A 68 68 ARG N N 128 123.750 124.668 -0.918 1
1 794 . 4 1 1 A 69 69 LYS H H 129 8.450 8.232 0.218 1
1 795 . 4 1 1 A 69 69 LYS HA H 129 4.250 4.157 0.093 1
1 800 . 4 1 1 A 69 69 LYS C C 129 177.010 176.230 0.780 1
1 801 . 4 1 1 A 69 69 LYS CA C 129 57.000 58.538 -1.538 1
1 802 . 4 1 1 A 69 69 LYS CB C 129 32.940 32.597 0.343 1
1 806 . 4 1 1 A 69 69 LYS N N 129 124.580 118.963 5.617 1
1 807 . 4 1 1 A 70 70 GLY H H 130 8.500 7.861 0.639 1
1 808 . 4 1 1 A 70 70 GLY HA2 H 130 3.910 4.129 -0.219 1
1 809 . 4 1 1 A 70 70 GLY HA3 H 130 4.010 4.129 -0.119 1
1 810 . 4 1 1 A 70 70 GLY C C 130 173.360 172.836 0.524 1
1 811 . 4 1 1 A 70 70 GLY CA C 130 45.370 45.740 -0.370 1
1 812 . 4 1 1 A 70 70 GLY N N 130 112.470 107.619 4.851 1
1 6 . 5 1 1 A 2 2 ASN HA H 62 4.610 4.958 -0.348 1
1 10 . 5 1 1 A 2 2 ASN C C 62 174.760 174.907 -0.147 1
1 11 . 5 1 1 A 2 2 ASN CA C 62 53.100 52.572 0.528 1
1 12 . 5 1 1 A 2 2 ASN CB C 62 38.790 39.249 -0.459 1
1 14 . 5 1 1 A 3 3 ALA H H 63 8.300 7.947 0.353 1
1 15 . 5 1 1 A 3 3 ALA HA H 63 4.200 4.389 -0.189 1
1 19 . 5 1 1 A 3 3 ALA C C 63 178.180 176.817 1.363 1
1 20 . 5 1 1 A 3 3 ALA CA C 63 53.070 50.989 2.081 1
1 21 . 5 1 1 A 3 3 ALA CB C 63 18.960 19.417 -0.457 1
1 22 . 5 1 1 A 3 3 ALA N N 63 125.390 123.633 1.757 1
1 23 . 5 1 1 A 4 4 GLY H H 64 8.340 7.519 0.821 1
1 24 . 5 1 1 A 4 4 GLY HA2 H 64 3.800 4.124 -0.324 1
1 25 . 5 1 1 A 4 4 GLY HA3 H 64 3.860 4.135 -0.275 1
1 26 . 5 1 1 A 4 4 GLY C C 64 174.010 173.859 0.151 1
1 27 . 5 1 1 A 4 4 GLY CA C 64 45.350 45.761 -0.411 1
1 28 . 5 1 1 A 4 4 GLY N N 64 109.300 105.858 3.442 1
1 29 . 5 1 1 A 5 5 GLN H H 65 7.950 7.929 0.021 1
1 30 . 5 1 1 A 5 5 GLN HA H 65 4.330 4.350 -0.020 1
1 35 . 5 1 1 A 5 5 GLN C C 65 175.560 174.921 0.639 1
1 36 . 5 1 1 A 5 5 GLN CA C 65 55.400 56.215 -0.815 1
1 37 . 5 1 1 A 5 5 GLN CB C 65 29.860 30.340 -0.480 1
1 39 . 5 1 1 A 5 5 GLN N N 65 119.540 119.803 -0.263 1
1 41 . 5 1 1 A 6 6 LEU H H 66 8.740 8.528 0.212 1
1 42 . 5 1 1 A 6 6 LEU HA H 66 4.610 5.037 -0.427 1
1 52 . 5 1 1 A 6 6 LEU C C 66 175.750 175.489 0.261 1
1 53 . 5 1 1 A 6 6 LEU CA C 66 54.010 53.329 0.681 1
1 54 . 5 1 1 A 6 6 LEU CB C 66 43.490 45.548 -2.058 1
1 58 . 5 1 1 A 6 6 LEU N N 66 126.120 120.637 5.483 1
1 59 . 5 1 1 A 7 7 CYS H H 67 8.470 9.189 -0.719 1
1 60 . 5 1 1 A 7 7 CYS HA H 67 4.140 4.481 -0.341 1
1 63 . 5 1 1 A 7 7 CYS C C 67 175.320 175.646 -0.326 1
1 64 . 5 1 1 A 7 7 CYS CA C 67 60.780 59.797 0.983 1
1 65 . 5 1 1 A 7 7 CYS CB C 67 32.850 28.178 4.672 1
1 66 . 5 1 1 A 7 7 CYS N N 67 123.170 123.783 -0.613 1
1 67 . 5 1 1 A 8 8 CYS H H 68 8.170 8.692 -0.522 1
1 68 . 5 1 1 A 8 8 CYS HA H 68 4.280 4.804 -0.524 1
1 72 . 5 1 1 A 8 8 CYS C C 68 172.410 173.128 -0.718 1
1 73 . 5 1 1 A 8 8 CYS CA C 68 58.920 58.424 0.496 1
1 74 . 5 1 1 A 8 8 CYS CB C 68 28.920 28.482 0.438 1
1 75 . 5 1 1 A 8 8 CYS N N 68 124.700 123.535 1.165 1
1 76 . 5 1 1 A 9 9 LEU H H 69 8.180 7.150 1.030 1
1 77 . 5 1 1 A 9 9 LEU HA H 69 4.580 4.810 -0.230 1
1 87 . 5 1 1 A 9 9 LEU C C 69 176.770 175.806 0.964 1
1 88 . 5 1 1 A 9 9 LEU CA C 69 54.760 53.167 1.593 1
1 89 . 5 1 1 A 9 9 LEU CB C 69 43.150 45.243 -2.093 1
1 93 . 5 1 1 A 9 9 LEU N N 69 122.650 122.305 0.345 1
1 94 . 5 1 1 A 10 10 ARG H H 70 8.880 8.433 0.447 1
1 95 . 5 1 1 A 10 10 ARG HA H 70 4.770 5.353 -0.583 1
1 102 . 5 1 1 A 10 10 ARG C C 70 174.900 174.138 0.762 1
1 103 . 5 1 1 A 10 10 ARG CA C 70 54.710 54.304 0.406 1
1 104 . 5 1 1 A 10 10 ARG CB C 70 33.390 33.992 -0.602 1
1 107 . 5 1 1 A 10 10 ARG N N 70 117.650 120.912 -3.262 1
1 108 . 5 1 1 A 11 11 GLU H H 71 8.640 9.805 -1.165 1
1 109 . 5 1 1 A 11 11 GLU HA H 71 5.090 4.735 0.355 1
1 113 . 5 1 1 A 11 11 GLU C C 71 176.070 175.286 0.784 1
1 114 . 5 1 1 A 11 11 GLU CA C 71 54.270 55.309 -1.039 1
1 115 . 5 1 1 A 11 11 GLU CB C 71 32.460 31.529 0.931 1
1 117 . 5 1 1 A 11 11 GLU N N 71 123.910 124.907 -0.997 1
1 118 . 5 1 1 A 12 12 ASP H H 72 9.510 9.372 0.138 1
1 119 . 5 1 1 A 12 12 ASP HA H 72 4.270 4.532 -0.262 1
1 122 . 5 1 1 A 12 12 ASP C C 72 175.890 176.300 -0.410 1
1 123 . 5 1 1 A 12 12 ASP CA C 72 55.880 55.389 0.491 1
1 124 . 5 1 1 A 12 12 ASP CB C 72 39.910 39.483 0.427 1
1 125 . 5 1 1 A 12 12 ASP N N 72 129.440 128.339 1.101 1
1 126 . 5 1 1 A 13 13 GLY H H 73 8.970 8.558 0.412 1
1 127 . 5 1 1 A 13 13 GLY HA2 H 73 3.520 3.840 -0.320 1
1 128 . 5 1 1 A 13 13 GLY HA3 H 73 4.200 3.844 0.356 1
1 129 . 5 1 1 A 13 13 GLY C C 73 173.960 173.752 0.208 1
1 130 . 5 1 1 A 13 13 GLY CA C 73 45.350 45.411 -0.061 1
1 131 . 5 1 1 A 13 13 GLY N N 73 103.500 104.283 -0.783 1
1 132 . 5 1 1 A 14 14 GLU H H 74 7.660 7.850 -0.190 1
1 133 . 5 1 1 A 14 14 GLU HA H 74 4.640 4.573 0.067 1
1 138 . 5 1 1 A 14 14 GLU C C 74 176.170 176.257 -0.087 1
1 139 . 5 1 1 A 14 14 GLU CA C 74 54.460 55.349 -0.889 1
1 140 . 5 1 1 A 14 14 GLU CB C 74 32.050 31.336 0.714 1
1 142 . 5 1 1 A 14 14 GLU N N 74 121.330 120.505 0.825 1
1 143 . 5 1 1 A 15 15 ARG H H 75 9.000 8.567 0.433 1
1 144 . 5 1 1 A 15 15 ARG HA H 75 4.120 4.342 -0.222 1
1 150 . 5 1 1 A 15 15 ARG C C 75 175.230 176.359 -1.129 1
1 151 . 5 1 1 A 15 15 ARG CA C 75 56.640 56.419 0.221 1
1 152 . 5 1 1 A 15 15 ARG CB C 75 29.720 31.301 -1.581 1
1 155 . 5 1 1 A 15 15 ARG N N 75 127.990 124.133 3.857 1
1 156 . 5 1 1 A 16 16 CYS H H 76 8.870 9.036 -0.166 1
1 157 . 5 1 1 A 16 16 CYS HA H 76 4.170 4.385 -0.215 1
1 160 . 5 1 1 A 16 16 CYS CA C 76 61.840 60.618 1.222 1
1 161 . 5 1 1 A 16 16 CYS CB C 76 31.150 28.646 2.504 1
1 162 . 5 1 1 A 16 16 CYS N N 76 131.840 122.964 8.876 1
1 163 . 5 1 1 A 17 17 GLY H H 77 8.530 8.085 0.445 1
1 164 . 5 1 1 A 17 17 GLY HA2 H 77 3.680 3.947 -0.267 1
1 165 . 5 1 1 A 17 17 GLY HA3 H 77 4.340 3.964 0.376 1
1 166 . 5 1 1 A 17 17 GLY C C 77 174.620 174.268 0.352 1
1 167 . 5 1 1 A 17 17 GLY CA C 77 45.110 45.071 0.039 1
1 168 . 5 1 1 A 17 17 GLY N N 77 111.930 109.065 2.865 1
1 169 . 5 1 1 A 18 18 ARG H H 78 8.960 7.841 1.119 1
1 170 . 5 1 1 A 18 18 ARG HA H 78 4.290 4.273 0.017 1
1 177 . 5 1 1 A 18 18 ARG C C 78 175.270 175.630 -0.360 1
1 178 . 5 1 1 A 18 18 ARG CA C 78 56.350 56.331 0.019 1
1 179 . 5 1 1 A 18 18 ARG CB C 78 31.310 31.274 0.036 1
1 182 . 5 1 1 A 18 18 ARG N N 78 124.390 122.761 1.629 1
1 183 . 5 1 1 A 19 19 ALA H H 79 8.340 8.360 -0.020 1
1 184 . 5 1 1 A 19 19 ALA HA H 79 4.170 4.493 -0.323 1
1 188 . 5 1 1 A 19 19 ALA C C 79 177.620 177.360 0.260 1
1 189 . 5 1 1 A 19 19 ALA CA C 79 52.710 52.168 0.542 1
1 190 . 5 1 1 A 19 19 ALA CB C 79 18.710 19.056 -0.346 1
1 191 . 5 1 1 A 19 19 ALA N N 79 123.880 127.264 -3.384 1
1 192 . 5 1 1 A 20 20 ALA H H 80 8.470 8.667 -0.197 1
1 193 . 5 1 1 A 20 20 ALA HA H 80 3.540 4.294 -0.754 1
1 197 . 5 1 1 A 20 20 ALA C C 80 177.560 178.255 -0.695 1
1 198 . 5 1 1 A 20 20 ALA CA C 80 52.840 52.582 0.258 1
1 199 . 5 1 1 A 20 20 ALA CB C 80 19.050 19.421 -0.371 1
1 200 . 5 1 1 A 20 20 ALA N N 80 124.580 123.521 1.059 1
1 201 . 5 1 1 A 21 21 GLY H H 81 8.090 8.828 -0.738 1
1 202 . 5 1 1 A 21 21 GLY HA2 H 81 3.800 4.182 -0.382 1
1 203 . 5 1 1 A 21 21 GLY HA3 H 81 4.430 4.215 0.215 1
1 204 . 5 1 1 A 21 21 GLY C C 81 173.170 174.657 -1.487 1
1 205 . 5 1 1 A 21 21 GLY CA C 81 44.390 44.315 0.075 1
1 206 . 5 1 1 A 21 21 GLY N N 81 114.000 106.648 7.352 1
1 207 . 5 1 1 A 22 22 ASN H H 82 8.690 8.639 0.051 1
1 208 . 5 1 1 A 22 22 ASN HA H 82 4.650 4.945 -0.295 1
1 213 . 5 1 1 A 22 22 ASN C C 82 176.260 175.482 0.778 1
1 214 . 5 1 1 A 22 22 ASN CA C 82 53.580 53.219 0.361 1
1 215 . 5 1 1 A 22 22 ASN CB C 82 39.580 39.096 0.484 1
1 216 . 5 1 1 A 22 22 ASN N N 82 118.160 119.207 -1.047 1
1 218 . 5 1 1 A 23 23 ALA H H 83 8.720 7.549 1.171 1
1 219 . 5 1 1 A 23 23 ALA HA H 83 4.570 4.664 -0.094 1
1 223 . 5 1 1 A 23 23 ALA C C 83 175.910 176.706 -0.796 1
1 224 . 5 1 1 A 23 23 ALA CA C 83 52.340 51.634 0.706 1
1 225 . 5 1 1 A 23 23 ALA CB C 83 19.370 21.660 -2.290 1
1 226 . 5 1 1 A 23 23 ALA N N 83 125.180 122.344 2.836 1
1 227 . 5 1 1 A 24 24 SER H H 84 7.970 8.840 -0.870 1
1 228 . 5 1 1 A 24 24 SER HA H 84 5.310 5.073 0.237 1
1 230 . 5 1 1 A 24 24 SER C C 84 174.620 172.778 1.842 1
1 231 . 5 1 1 A 24 24 SER CA C 84 56.550 56.379 0.171 1
1 232 . 5 1 1 A 24 24 SER CB C 84 66.420 65.784 0.636 1
1 233 . 5 1 1 A 24 24 SER N N 84 112.840 112.062 0.778 1
1 234 . 5 1 1 A 25 25 PHE H H 85 9.580 8.952 0.628 1
1 235 . 5 1 1 A 25 25 PHE HA H 85 4.320 4.805 -0.485 1
1 241 . 5 1 1 A 25 25 PHE C C 85 173.430 174.900 -1.470 1
1 242 . 5 1 1 A 25 25 PHE CA C 85 57.780 56.603 1.177 1
1 243 . 5 1 1 A 25 25 PHE CB C 85 38.780 38.992 -0.212 1
1 247 . 5 1 1 A 25 25 PHE N N 85 125.520 124.391 1.129 1
1 248 . 5 1 1 A 26 26 SER H H 86 6.780 8.150 -1.370 1
1 249 . 5 1 1 A 26 26 SER HA H 86 4.430 4.847 -0.417 1
1 252 . 5 1 1 A 26 26 SER C C 86 174.200 175.235 -1.035 1
1 253 . 5 1 1 A 26 26 SER CA C 86 56.610 56.132 0.478 1
1 254 . 5 1 1 A 26 26 SER CB C 86 66.010 64.826 1.184 1
1 255 . 5 1 1 A 26 26 SER N N 86 118.860 119.661 -0.801 1
1 256 . 5 1 1 A 27 27 LYS H H 87 8.710 8.577 0.133 1
1 257 . 5 1 1 A 27 27 LYS HA H 87 3.850 3.771 0.079 1
1 263 . 5 1 1 A 27 27 LYS C C 87 178.490 178.742 -0.252 1
1 264 . 5 1 1 A 27 27 LYS CA C 87 59.390 59.201 0.189 1
1 265 . 5 1 1 A 27 27 LYS CB C 87 31.970 32.206 -0.236 1
1 269 . 5 1 1 A 27 27 LYS N N 87 121.790 118.947 2.843 1
1 270 . 5 1 1 A 28 28 ARG H H 88 8.010 7.782 0.228 1
1 271 . 5 1 1 A 28 28 ARG HA H 88 3.990 4.006 -0.016 1
1 277 . 5 1 1 A 28 28 ARG C C 88 178.890 178.717 0.173 1
1 278 . 5 1 1 A 28 28 ARG CA C 88 59.010 58.593 0.417 1
1 279 . 5 1 1 A 28 28 ARG CB C 88 30.120 29.877 0.243 1
1 282 . 5 1 1 A 28 28 ARG N N 88 119.520 119.673 -0.153 1
1 283 . 5 1 1 A 29 29 ILE H H 89 7.350 7.958 -0.608 1
1 284 . 5 1 1 A 29 29 ILE HA H 89 3.680 3.677 0.003 1
1 294 . 5 1 1 A 29 29 ILE C C 89 177.620 177.609 0.011 1
1 295 . 5 1 1 A 29 29 ILE CA C 89 63.170 65.291 -2.121 1
1 296 . 5 1 1 A 29 29 ILE CB C 89 36.900 37.029 -0.129 1
1 300 . 5 1 1 A 29 29 ILE N N 89 121.980 119.785 2.195 1
1 301 . 5 1 1 A 30 30 GLN H H 90 7.990 7.577 0.413 1
1 302 . 5 1 1 A 30 30 GLN HA H 90 3.630 3.927 -0.297 1
1 308 . 5 1 1 A 30 30 GLN C C 90 178.320 178.185 0.135 1
1 309 . 5 1 1 A 30 30 GLN CA C 90 59.200 59.289 -0.089 1
1 310 . 5 1 1 A 30 30 GLN CB C 90 28.700 28.524 0.176 1
1 312 . 5 1 1 A 30 30 GLN N N 90 121.020 120.068 0.952 1
1 314 . 5 1 1 A 31 31 LYS H H 91 7.990 8.081 -0.091 1
1 315 . 5 1 1 A 31 31 LYS HA H 91 4.090 4.067 0.023 1
1 321 . 5 1 1 A 31 31 LYS C C 91 178.650 178.213 0.437 1
1 322 . 5 1 1 A 31 31 LYS CA C 91 58.720 59.221 -0.501 1
1 323 . 5 1 1 A 31 31 LYS CB C 91 32.220 32.215 0.005 1
1 327 . 5 1 1 A 31 31 LYS N N 91 119.520 120.315 -0.795 1
1 328 . 5 1 1 A 32 32 SER H H 92 7.770 7.923 -0.153 1
1 329 . 5 1 1 A 32 32 SER HA H 92 4.320 4.116 0.204 1
1 332 . 5 1 1 A 32 32 SER C C 92 176.110 177.355 -1.245 1
1 333 . 5 1 1 A 32 32 SER CA C 92 61.260 61.675 -0.415 1
1 334 . 5 1 1 A 32 32 SER CB C 92 63.610 63.071 0.539 1
1 335 . 5 1 1 A 32 32 SER N N 92 116.310 113.724 2.586 1
1 336 . 5 1 1 A 33 33 ILE H H 93 7.960 8.028 -0.068 1
1 337 . 5 1 1 A 33 33 ILE HA H 93 3.920 3.592 0.328 1
1 347 . 5 1 1 A 33 33 ILE C C 93 177.480 177.844 -0.364 1
1 348 . 5 1 1 A 33 33 ILE CA C 93 63.610 65.188 -1.578 1
1 349 . 5 1 1 A 33 33 ILE CB C 93 38.330 37.439 0.891 1
1 353 . 5 1 1 A 33 33 ILE N N 93 119.950 122.043 -2.093 1
1 354 . 5 1 1 A 34 34 SER H H 94 7.970 8.211 -0.241 1
1 355 . 5 1 1 A 34 34 SER HA H 94 4.390 4.076 0.314 1
1 357 . 5 1 1 A 34 34 SER C C 94 176.490 176.072 0.418 1
1 358 . 5 1 1 A 34 34 SER CA C 94 60.560 62.341 -1.781 1
1 359 . 5 1 1 A 34 34 SER CB C 94 63.130 62.994 0.136 1
1 360 . 5 1 1 A 34 34 SER N N 94 117.230 115.685 1.545 1
1 361 . 5 1 1 A 35 35 GLN H H 95 8.220 7.993 0.227 1
1 362 . 5 1 1 A 35 35 GLN HA H 95 4.260 4.026 0.234 1
1 369 . 5 1 1 A 35 35 GLN C C 95 177.050 178.354 -1.304 1
1 370 . 5 1 1 A 35 35 GLN CA C 95 57.360 59.076 -1.716 1
1 371 . 5 1 1 A 35 35 GLN CB C 95 28.900 28.587 0.313 1
1 373 . 5 1 1 A 35 35 GLN N N 95 121.530 121.224 0.306 1
1 375 . 5 1 1 A 36 36 LYS H H 96 7.870 7.391 0.479 1
1 376 . 5 1 1 A 36 36 LYS HA H 96 4.280 4.211 0.069 1
1 383 . 5 1 1 A 36 36 LYS C C 96 176.160 176.401 -0.241 1
1 384 . 5 1 1 A 36 36 LYS CA C 96 56.570 57.505 -0.935 1
1 385 . 5 1 1 A 36 36 LYS CB C 96 33.600 32.748 0.852 1
1 389 . 5 1 1 A 36 36 LYS N N 96 118.550 116.540 2.010 1
1 390 . 5 1 1 A 37 37 LYS H H 97 8.110 8.552 -0.442 1
1 391 . 5 1 1 A 37 37 LYS HA H 97 4.110 3.902 0.208 1
1 396 . 5 1 1 A 37 37 LYS C C 97 176.210 175.408 0.802 1
1 397 . 5 1 1 A 37 37 LYS CA C 97 57.230 57.287 -0.057 1
1 398 . 5 1 1 A 37 37 LYS CB C 97 30.580 30.951 -0.371 1
1 402 . 5 1 1 A 37 37 LYS N N 97 117.680 118.323 -0.643 1
1 403 . 5 1 1 A 38 38 VAL H H 98 7.430 7.829 -0.399 1
1 404 . 5 1 1 A 38 38 VAL HA H 98 4.350 4.913 -0.563 1
1 412 . 5 1 1 A 38 38 VAL C C 98 175.830 175.087 0.743 1
1 413 . 5 1 1 A 38 38 VAL CA C 98 60.580 58.709 1.871 1
1 414 . 5 1 1 A 38 38 VAL CB C 98 33.410 35.243 -1.833 1
1 417 . 5 1 1 A 38 38 VAL N N 98 115.860 115.571 0.289 1
1 418 . 5 1 1 A 39 39 LYS H H 99 8.960 8.412 0.548 1
1 419 . 5 1 1 A 39 39 LYS HA H 99 4.430 4.468 -0.038 1
1 425 . 5 1 1 A 39 39 LYS C C 99 175.700 174.698 1.002 1
1 426 . 5 1 1 A 39 39 LYS CA C 99 55.420 55.993 -0.573 1
1 427 . 5 1 1 A 39 39 LYS CB C 99 30.580 30.715 -0.135 1
1 431 . 5 1 1 A 39 39 LYS N N 99 127.710 119.554 8.156 1
1 432 . 5 1 1 A 40 40 ILE H H 100 7.660 7.244 0.416 1
1 433 . 5 1 1 A 40 40 ILE HA H 100 5.020 5.286 -0.266 1
1 443 . 5 1 1 A 40 40 ILE C C 100 174.520 174.998 -0.478 1
1 444 . 5 1 1 A 40 40 ILE CA C 100 59.370 60.358 -0.988 1
1 445 . 5 1 1 A 40 40 ILE CB C 100 40.650 39.930 0.720 1
1 449 . 5 1 1 A 40 40 ILE N N 100 123.140 123.021 0.119 1
1 450 . 5 1 1 A 41 41 GLU H H 101 8.490 9.073 -0.583 1
1 451 . 5 1 1 A 41 41 GLU HA H 101 4.620 5.077 -0.457 1
1 456 . 5 1 1 A 41 41 GLU C C 101 173.590 174.179 -0.589 1
1 457 . 5 1 1 A 41 41 GLU CA C 101 53.740 54.066 -0.326 1
1 458 . 5 1 1 A 41 41 GLU CB C 101 34.580 33.243 1.337 1
1 460 . 5 1 1 A 41 41 GLU N N 101 123.460 124.784 -1.324 1
1 461 . 5 1 1 A 42 42 LEU H H 102 8.490 8.411 0.079 1
1 462 . 5 1 1 A 42 42 LEU HA H 102 3.790 4.646 -0.856 1
1 472 . 5 1 1 A 42 42 LEU C C 102 176.440 175.695 0.745 1
1 473 . 5 1 1 A 42 42 LEU CA C 102 55.190 53.597 1.593 1
1 474 . 5 1 1 A 42 42 LEU CB C 102 43.100 44.023 -0.923 1
1 478 . 5 1 1 A 42 42 LEU N N 102 123.470 122.681 0.789 1
1 479 . 5 1 1 A 43 43 ASP H H 103 8.770 8.346 0.424 1
1 480 . 5 1 1 A 43 43 ASP HA H 103 4.520 4.664 -0.144 1
1 483 . 5 1 1 A 43 43 ASP C C 103 177.600 176.571 1.029 1
1 484 . 5 1 1 A 43 43 ASP CA C 103 53.740 54.432 -0.692 1
1 485 . 5 1 1 A 43 43 ASP CB C 103 41.880 41.674 0.206 1
1 486 . 5 1 1 A 43 43 ASP N N 103 127.210 126.081 1.129 1
1 487 . 5 1 1 A 44 44 LYS H H 104 8.910 8.846 0.064 1
1 488 . 5 1 1 A 44 44 LYS HA H 104 3.920 4.156 -0.236 1
1 495 . 5 1 1 A 44 44 LYS C C 104 177.340 178.371 -1.031 1
1 496 . 5 1 1 A 44 44 LYS CA C 104 58.930 58.436 0.494 1
1 497 . 5 1 1 A 44 44 LYS CB C 104 32.000 32.117 -0.117 1
1 501 . 5 1 1 A 44 44 LYS N N 104 129.080 127.456 1.624 1
1 502 . 5 1 1 A 45 45 SER H H 105 8.740 7.913 0.827 1
1 503 . 5 1 1 A 45 45 SER HA H 105 4.370 4.346 0.024 1
1 506 . 5 1 1 A 45 45 SER C C 105 175.040 174.930 0.110 1
1 507 . 5 1 1 A 45 45 SER CA C 105 59.150 60.613 -1.463 1
1 508 . 5 1 1 A 45 45 SER CB C 105 63.830 63.263 0.567 1
1 509 . 5 1 1 A 45 45 SER N N 105 115.270 113.535 1.735 1
1 510 . 5 1 1 A 46 46 ALA H H 106 7.430 7.489 -0.059 1
1 511 . 5 1 1 A 46 46 ALA HA H 106 4.150 4.216 -0.066 1
1 515 . 5 1 1 A 46 46 ALA CA C 106 53.300 52.011 1.289 1
1 516 . 5 1 1 A 46 46 ALA CB C 106 19.190 20.104 -0.914 1
1 517 . 5 1 1 A 46 46 ALA N N 106 125.120 123.989 1.131 1
1 518 . 5 1 1 A 47 47 ARG HA H 107 4.280 4.645 -0.365 1
1 526 . 5 1 1 A 48 48 HIS HA H 108 4.650 4.879 -0.229 1
1 531 . 5 1 1 A 48 48 HIS C C 108 173.160 174.116 -0.956 1
1 532 . 5 1 1 A 48 48 HIS CA C 108 54.990 54.288 0.702 1
1 533 . 5 1 1 A 48 48 HIS CB C 108 33.400 32.629 0.771 1
1 538 . 5 1 1 A 49 49 LEU H H 109 8.030 8.950 -0.920 1
1 539 . 5 1 1 A 49 49 LEU HA H 109 5.040 4.697 0.343 1
1 549 . 5 1 1 A 49 49 LEU CA C 109 54.480 54.021 0.459 1
1 550 . 5 1 1 A 49 49 LEU CB C 109 43.010 43.308 -0.298 1
1 554 . 5 1 1 A 49 49 LEU N N 109 120.130 119.897 0.233 1
1 555 . 5 1 1 A 50 50 TYR HA H 110 5.020 5.297 -0.277 1
1 560 . 5 1 1 A 50 50 TYR C C 110 176.960 175.841 1.119 1
1 561 . 5 1 1 A 50 50 TYR CA C 110 60.340 56.780 3.560 1
1 562 . 5 1 1 A 50 50 TYR CB C 110 39.210 40.861 -1.651 1
1 565 . 5 1 1 A 51 51 ILE H H 111 8.510 8.700 -0.190 1
1 566 . 5 1 1 A 51 51 ILE HA H 111 5.960 4.589 1.371 1
1 576 . 5 1 1 A 51 51 ILE C C 111 177.900 176.167 1.733 1
1 577 . 5 1 1 A 51 51 ILE CA C 111 58.100 59.982 -1.882 1
1 578 . 5 1 1 A 51 51 ILE CB C 111 41.370 39.929 1.441 1
1 582 . 5 1 1 A 51 51 ILE N N 111 115.050 121.768 -6.718 1
1 583 . 5 1 1 A 52 52 CYS H H 112 9.830 8.871 0.959 1
1 584 . 5 1 1 A 52 52 CYS HA H 112 5.000 4.889 0.111 1
1 587 . 5 1 1 A 52 52 CYS C C 112 175.420 175.701 -0.281 1
1 588 . 5 1 1 A 52 52 CYS CA C 112 57.770 57.647 0.123 1
1 589 . 5 1 1 A 52 52 CYS CB C 112 33.120 29.991 3.129 1
1 590 . 5 1 1 A 52 52 CYS N N 112 125.820 122.297 3.523 1
1 591 . 5 1 1 A 53 53 ASP H H 113 9.000 9.003 -0.003 1
1 592 . 5 1 1 A 53 53 ASP HA H 113 4.510 4.373 0.137 1
1 594 . 5 1 1 A 53 53 ASP C C 113 178.140 177.532 0.608 1
1 595 . 5 1 1 A 53 53 ASP CA C 113 57.330 57.275 0.055 1
1 596 . 5 1 1 A 53 53 ASP CB C 113 39.730 40.660 -0.930 1
1 597 . 5 1 1 A 53 53 ASP N N 113 121.960 121.459 0.501 1
1 598 . 5 1 1 A 54 54 TYR H H 114 8.220 8.212 0.008 1
1 599 . 5 1 1 A 54 54 TYR HA H 114 4.100 4.185 -0.085 1
1 604 . 5 1 1 A 54 54 TYR C C 114 178.410 177.497 0.913 1
1 605 . 5 1 1 A 54 54 TYR CA C 114 61.970 61.786 0.184 1
1 606 . 5 1 1 A 54 54 TYR CB C 114 37.150 38.993 -1.843 1
1 609 . 5 1 1 A 54 54 TYR N N 114 123.510 121.587 1.923 1
1 610 . 5 1 1 A 55 55 HIS H H 115 10.090 7.751 2.339 1
1 611 . 5 1 1 A 55 55 HIS HA H 115 4.040 3.965 0.075 1
1 616 . 5 1 1 A 55 55 HIS C C 115 177.240 177.570 -0.330 1
1 617 . 5 1 1 A 55 55 HIS CA C 115 63.870 60.038 3.832 1
1 618 . 5 1 1 A 55 55 HIS CB C 115 29.600 29.874 -0.274 1
1 621 . 5 1 1 A 55 55 HIS N N 115 124.830 117.126 7.704 1
1 624 . 5 1 1 A 56 56 LYS H H 116 8.830 8.091 0.739 1
1 625 . 5 1 1 A 56 56 LYS HA H 116 3.720 3.865 -0.145 1
1 633 . 5 1 1 A 56 56 LYS C C 116 178.140 178.891 -0.751 1
1 634 . 5 1 1 A 56 56 LYS CA C 116 60.590 59.973 0.617 1
1 635 . 5 1 1 A 56 56 LYS CB C 116 32.230 32.653 -0.423 1
1 639 . 5 1 1 A 56 56 LYS N N 116 123.340 120.105 3.235 1
1 640 . 5 1 1 A 57 57 ASN H H 117 8.140 8.183 -0.043 1
1 641 . 5 1 1 A 57 57 ASN HA H 117 4.340 4.470 -0.130 1
1 646 . 5 1 1 A 57 57 ASN C C 117 177.570 177.405 0.165 1
1 647 . 5 1 1 A 57 57 ASN CA C 117 55.890 56.356 -0.466 1
1 648 . 5 1 1 A 57 57 ASN CB C 117 38.070 38.972 -0.902 1
1 649 . 5 1 1 A 57 57 ASN N N 117 116.920 118.325 -1.405 1
1 651 . 5 1 1 A 58 58 LEU H H 118 7.890 7.621 0.269 1
1 652 . 5 1 1 A 58 58 LEU HA H 118 3.930 3.925 0.005 1
1 662 . 5 1 1 A 58 58 LEU C C 118 179.400 178.736 0.664 1
1 663 . 5 1 1 A 58 58 LEU CA C 118 58.420 58.288 0.132 1
1 664 . 5 1 1 A 58 58 LEU CB C 118 43.170 41.636 1.534 1
1 668 . 5 1 1 A 58 58 LEU N N 118 123.590 120.078 3.512 1
1 669 . 5 1 1 A 59 59 ILE H H 119 8.360 8.216 0.144 1
1 670 . 5 1 1 A 59 59 ILE HA H 119 3.470 3.875 -0.405 1
1 680 . 5 1 1 A 59 59 ILE C C 119 177.290 178.204 -0.914 1
1 681 . 5 1 1 A 59 59 ILE CA C 119 65.260 64.156 1.104 1
1 682 . 5 1 1 A 59 59 ILE CB C 119 38.330 37.624 0.706 1
1 686 . 5 1 1 A 59 59 ILE N N 119 118.630 119.232 -0.602 1
1 687 . 5 1 1 A 60 60 GLN H H 120 7.830 8.520 -0.690 1
1 688 . 5 1 1 A 60 60 GLN HA H 120 4.130 3.976 0.154 1
1 694 . 5 1 1 A 60 60 GLN C C 120 177.240 178.242 -1.002 1
1 695 . 5 1 1 A 60 60 GLN CA C 120 57.750 59.164 -1.414 1
1 696 . 5 1 1 A 60 60 GLN CB C 120 28.910 28.040 0.870 1
1 698 . 5 1 1 A 60 60 GLN N N 120 117.840 119.823 -1.983 1
1 700 . 5 1 1 A 61 61 SER H H 121 7.790 7.518 0.272 1
1 701 . 5 1 1 A 61 61 SER HA H 121 4.300 4.403 -0.103 1
1 703 . 5 1 1 A 61 61 SER C C 121 175.650 173.602 2.048 1
1 704 . 5 1 1 A 61 61 SER CA C 121 60.090 59.006 1.084 1
1 705 . 5 1 1 A 61 61 SER CB C 121 63.570 63.458 0.112 1
1 706 . 5 1 1 A 61 61 SER N N 121 115.460 112.513 2.947 1
1 707 . 5 1 1 A 62 62 VAL H H 122 8.020 7.266 0.754 1
1 708 . 5 1 1 A 62 62 VAL HA H 122 4.020 4.352 -0.332 1
1 716 . 5 1 1 A 62 62 VAL C C 122 176.960 175.452 1.508 1
1 717 . 5 1 1 A 62 62 VAL CA C 122 63.600 60.737 2.863 1
1 718 . 5 1 1 A 62 62 VAL CB C 122 32.300 33.782 -1.482 1
1 721 . 5 1 1 A 62 62 VAL N N 122 121.600 122.373 -0.773 1
1 722 . 5 1 1 A 63 63 ARG H H 123 8.130 8.817 -0.687 1
1 723 . 5 1 1 A 63 63 ARG HA H 123 4.190 3.818 0.372 1
1 729 . 5 1 1 A 63 63 ARG C C 123 176.490 175.818 0.672 1
1 730 . 5 1 1 A 63 63 ARG CA C 123 57.070 57.307 -0.237 1
1 731 . 5 1 1 A 63 63 ARG CB C 123 30.780 27.226 3.554 1
1 734 . 5 1 1 A 63 63 ARG N N 123 122.770 122.551 0.219 1
1 735 . 5 1 1 A 64 64 ASN H H 124 8.210 8.123 0.087 1
1 736 . 5 1 1 A 64 64 ASN HA H 124 4.650 4.995 -0.345 1
1 741 . 5 1 1 A 64 64 ASN C C 124 175.310 175.434 -0.124 1
1 742 . 5 1 1 A 64 64 ASN CA C 124 53.500 52.812 0.688 1
1 743 . 5 1 1 A 64 64 ASN CB C 124 38.840 40.043 -1.203 1
1 744 . 5 1 1 A 64 64 ASN N N 124 119.350 116.551 2.799 1
1 746 . 5 1 1 A 65 65 ARG H H 125 8.100 7.701 0.399 1
1 747 . 5 1 1 A 65 65 ARG HA H 125 4.270 4.460 -0.190 1
1 752 . 5 1 1 A 65 65 ARG C C 125 176.310 176.059 0.251 1
1 753 . 5 1 1 A 65 65 ARG CA C 125 56.580 55.143 1.437 1
1 754 . 5 1 1 A 65 65 ARG CB C 125 30.810 30.350 0.460 1
1 757 . 5 1 1 A 65 65 ARG N N 125 122.230 120.997 1.233 1
1 758 . 5 1 1 A 66 66 ARG H H 126 8.260 8.173 0.087 1
1 759 . 5 1 1 A 66 66 ARG HA H 126 4.270 4.152 0.118 1
1 764 . 5 1 1 A 66 66 ARG C C 126 176.210 175.481 0.729 1
1 765 . 5 1 1 A 66 66 ARG CA C 126 56.190 58.161 -1.971 1
1 766 . 5 1 1 A 66 66 ARG CB C 126 30.810 30.301 0.509 1
1 769 . 5 1 1 A 66 66 ARG N N 126 122.760 120.285 2.475 1
1 770 . 5 1 1 A 67 67 LYS H H 127 8.270 8.354 -0.084 1
1 771 . 5 1 1 A 67 67 LYS HA H 127 4.260 3.892 0.368 1
1 776 . 5 1 1 A 67 67 LYS C C 127 176.450 175.264 1.186 1
1 777 . 5 1 1 A 67 67 LYS CA C 127 56.320 56.976 -0.656 1
1 778 . 5 1 1 A 67 67 LYS CB C 127 33.180 30.961 2.219 1
1 782 . 5 1 1 A 67 67 LYS N N 127 123.620 118.259 5.361 1
1 783 . 5 1 1 A 68 68 ARG H H 128 8.340 7.932 0.408 1
1 784 . 5 1 1 A 68 68 ARG HA H 128 4.270 4.964 -0.694 1
1 788 . 5 1 1 A 68 68 ARG C C 128 176.250 175.515 0.735 1
1 789 . 5 1 1 A 68 68 ARG CA C 128 56.130 53.976 2.154 1
1 790 . 5 1 1 A 68 68 ARG CB C 128 31.060 32.494 -1.434 1
1 793 . 5 1 1 A 68 68 ARG N N 128 123.750 116.250 7.500 1
1 794 . 5 1 1 A 69 69 LYS H H 129 8.450 8.332 0.118 1
1 795 . 5 1 1 A 69 69 LYS HA H 129 4.250 4.685 -0.435 1
1 800 . 5 1 1 A 69 69 LYS C C 129 177.010 176.532 0.478 1
1 801 . 5 1 1 A 69 69 LYS CA C 129 57.000 54.544 2.456 1
1 802 . 5 1 1 A 69 69 LYS CB C 129 32.940 34.418 -1.478 1
1 806 . 5 1 1 A 69 69 LYS N N 129 124.580 119.489 5.091 1
1 807 . 5 1 1 A 70 70 GLY H H 130 8.500 8.443 0.057 1
1 808 . 5 1 1 A 70 70 GLY HA2 H 130 3.910 4.092 -0.182 1
1 809 . 5 1 1 A 70 70 GLY HA3 H 130 4.010 4.092 -0.082 1
1 810 . 5 1 1 A 70 70 GLY C C 130 173.360 173.902 -0.542 1
1 811 . 5 1 1 A 70 70 GLY CA C 130 45.370 45.610 -0.240 1
1 812 . 5 1 1 A 70 70 GLY N N 130 112.470 111.048 1.422 1
1 6 . 6 1 1 A 2 2 ASN HA H 62 4.610 4.743 -0.133 1
1 10 . 6 1 1 A 2 2 ASN C C 62 174.760 175.027 -0.267 1
1 11 . 6 1 1 A 2 2 ASN CA C 62 53.100 53.187 -0.087 1
1 12 . 6 1 1 A 2 2 ASN CB C 62 38.790 39.301 -0.511 1
1 14 . 6 1 1 A 3 3 ALA H H 63 8.300 7.846 0.454 1
1 15 . 6 1 1 A 3 3 ALA HA H 63 4.200 4.364 -0.164 1
1 19 . 6 1 1 A 3 3 ALA C C 63 178.180 176.795 1.385 1
1 20 . 6 1 1 A 3 3 ALA CA C 63 53.070 51.448 1.622 1
1 21 . 6 1 1 A 3 3 ALA CB C 63 18.960 20.025 -1.065 1
1 22 . 6 1 1 A 3 3 ALA N N 63 125.390 123.252 2.138 1
1 23 . 6 1 1 A 4 4 GLY H H 64 8.340 7.850 0.490 1
1 24 . 6 1 1 A 4 4 GLY HA2 H 64 3.800 4.111 -0.311 1
1 25 . 6 1 1 A 4 4 GLY HA3 H 64 3.860 4.116 -0.256 1
1 26 . 6 1 1 A 4 4 GLY C C 64 174.010 172.659 1.351 1
1 27 . 6 1 1 A 4 4 GLY CA C 64 45.350 46.010 -0.660 1
1 28 . 6 1 1 A 4 4 GLY N N 64 109.300 106.215 3.085 1
1 29 . 6 1 1 A 5 5 GLN H H 65 7.950 8.292 -0.342 1
1 30 . 6 1 1 A 5 5 GLN HA H 65 4.330 4.749 -0.419 1
1 35 . 6 1 1 A 5 5 GLN C C 65 175.560 174.454 1.106 1
1 36 . 6 1 1 A 5 5 GLN CA C 65 55.400 54.407 0.993 1
1 37 . 6 1 1 A 5 5 GLN CB C 65 29.860 31.635 -1.775 1
1 39 . 6 1 1 A 5 5 GLN N N 65 119.540 120.198 -0.658 1
1 41 . 6 1 1 A 6 6 LEU H H 66 8.740 8.928 -0.188 1
1 42 . 6 1 1 A 6 6 LEU HA H 66 4.610 5.154 -0.544 1
1 52 . 6 1 1 A 6 6 LEU C C 66 175.750 175.353 0.397 1
1 53 . 6 1 1 A 6 6 LEU CA C 66 54.010 53.261 0.749 1
1 54 . 6 1 1 A 6 6 LEU CB C 66 43.490 45.862 -2.372 1
1 58 . 6 1 1 A 6 6 LEU N N 66 126.120 121.274 4.846 1
1 59 . 6 1 1 A 7 7 CYS H H 67 8.470 8.675 -0.205 1
1 60 . 6 1 1 A 7 7 CYS HA H 67 4.140 4.624 -0.484 1
1 63 . 6 1 1 A 7 7 CYS C C 67 175.320 175.929 -0.609 1
1 64 . 6 1 1 A 7 7 CYS CA C 67 60.780 60.192 0.588 1
1 65 . 6 1 1 A 7 7 CYS CB C 67 32.850 27.996 4.854 1
1 66 . 6 1 1 A 7 7 CYS N N 67 123.170 121.779 1.391 1
1 67 . 6 1 1 A 8 8 CYS H H 68 8.170 8.750 -0.580 1
1 68 . 6 1 1 A 8 8 CYS HA H 68 4.280 4.755 -0.475 1
1 72 . 6 1 1 A 8 8 CYS C C 68 172.410 172.822 -0.412 1
1 73 . 6 1 1 A 8 8 CYS CA C 68 58.920 58.720 0.200 1
1 74 . 6 1 1 A 8 8 CYS CB C 68 28.920 28.215 0.705 1
1 75 . 6 1 1 A 8 8 CYS N N 68 124.700 124.799 -0.099 1
1 76 . 6 1 1 A 9 9 LEU H H 69 8.180 7.530 0.650 1
1 77 . 6 1 1 A 9 9 LEU HA H 69 4.580 4.756 -0.176 1
1 87 . 6 1 1 A 9 9 LEU C C 69 176.770 175.781 0.989 1
1 88 . 6 1 1 A 9 9 LEU CA C 69 54.760 53.687 1.073 1
1 89 . 6 1 1 A 9 9 LEU CB C 69 43.150 46.130 -2.980 1
1 93 . 6 1 1 A 9 9 LEU N N 69 122.650 121.798 0.852 1
1 94 . 6 1 1 A 10 10 ARG H H 70 8.880 8.277 0.603 1
1 95 . 6 1 1 A 10 10 ARG HA H 70 4.770 5.042 -0.272 1
1 102 . 6 1 1 A 10 10 ARG C C 70 174.900 174.387 0.513 1
1 103 . 6 1 1 A 10 10 ARG CA C 70 54.710 54.178 0.532 1
1 104 . 6 1 1 A 10 10 ARG CB C 70 33.390 31.966 1.424 1
1 107 . 6 1 1 A 10 10 ARG N N 70 117.650 121.158 -3.508 1
1 108 . 6 1 1 A 11 11 GLU H H 71 8.640 9.141 -0.501 1
1 109 . 6 1 1 A 11 11 GLU HA H 71 5.090 4.564 0.526 1
1 113 . 6 1 1 A 11 11 GLU C C 71 176.070 176.323 -0.253 1
1 114 . 6 1 1 A 11 11 GLU CA C 71 54.270 56.299 -2.029 1
1 115 . 6 1 1 A 11 11 GLU CB C 71 32.460 31.483 0.977 1
1 117 . 6 1 1 A 11 11 GLU N N 71 123.910 125.529 -1.619 1
1 118 . 6 1 1 A 12 12 ASP H H 72 9.510 9.143 0.367 1
1 119 . 6 1 1 A 12 12 ASP HA H 72 4.270 4.376 -0.106 1
1 122 . 6 1 1 A 12 12 ASP C C 72 175.890 176.151 -0.261 1
1 123 . 6 1 1 A 12 12 ASP CA C 72 55.880 55.343 0.537 1
1 124 . 6 1 1 A 12 12 ASP CB C 72 39.910 39.510 0.400 1
1 125 . 6 1 1 A 12 12 ASP N N 72 129.440 128.178 1.262 1
1 126 . 6 1 1 A 13 13 GLY H H 73 8.970 8.487 0.483 1
1 127 . 6 1 1 A 13 13 GLY HA2 H 73 3.520 3.834 -0.314 1
1 128 . 6 1 1 A 13 13 GLY HA3 H 73 4.200 3.839 0.361 1
1 129 . 6 1 1 A 13 13 GLY C C 73 173.960 173.692 0.268 1
1 130 . 6 1 1 A 13 13 GLY CA C 73 45.350 45.383 -0.033 1
1 131 . 6 1 1 A 13 13 GLY N N 73 103.500 104.546 -1.046 1
1 132 . 6 1 1 A 14 14 GLU H H 74 7.660 8.598 -0.938 1
1 133 . 6 1 1 A 14 14 GLU HA H 74 4.640 4.676 -0.036 1
1 138 . 6 1 1 A 14 14 GLU C C 74 176.170 175.453 0.717 1
1 139 . 6 1 1 A 14 14 GLU CA C 74 54.460 54.885 -0.425 1
1 140 . 6 1 1 A 14 14 GLU CB C 74 32.050 31.604 0.446 1
1 142 . 6 1 1 A 14 14 GLU N N 74 121.330 120.288 1.042 1
1 143 . 6 1 1 A 15 15 ARG H H 75 9.000 8.383 0.617 1
1 144 . 6 1 1 A 15 15 ARG HA H 75 4.120 4.195 -0.075 1
1 150 . 6 1 1 A 15 15 ARG C C 75 175.230 176.873 -1.643 1
1 151 . 6 1 1 A 15 15 ARG CA C 75 56.640 56.578 0.062 1
1 152 . 6 1 1 A 15 15 ARG CB C 75 29.720 31.337 -1.617 1
1 155 . 6 1 1 A 15 15 ARG N N 75 127.990 124.398 3.592 1
1 156 . 6 1 1 A 16 16 CYS H H 76 8.870 8.990 -0.120 1
1 157 . 6 1 1 A 16 16 CYS HA H 76 4.170 4.288 -0.118 1
1 160 . 6 1 1 A 16 16 CYS CA C 76 61.840 61.405 0.435 1
1 161 . 6 1 1 A 16 16 CYS CB C 76 31.150 28.225 2.925 1
1 162 . 6 1 1 A 16 16 CYS N N 76 131.840 123.583 8.257 1
1 163 . 6 1 1 A 17 17 GLY H H 77 8.530 8.195 0.335 1
1 164 . 6 1 1 A 17 17 GLY HA2 H 77 3.680 3.942 -0.262 1
1 165 . 6 1 1 A 17 17 GLY HA3 H 77 4.340 3.959 0.381 1
1 166 . 6 1 1 A 17 17 GLY C C 77 174.620 174.104 0.516 1
1 167 . 6 1 1 A 17 17 GLY CA C 77 45.110 45.042 0.068 1
1 168 . 6 1 1 A 17 17 GLY N N 77 111.930 108.860 3.070 1
1 169 . 6 1 1 A 18 18 ARG H H 78 8.960 7.901 1.059 1
1 170 . 6 1 1 A 18 18 ARG HA H 78 4.290 4.412 -0.122 1
1 177 . 6 1 1 A 18 18 ARG C C 78 175.270 175.824 -0.554 1
1 178 . 6 1 1 A 18 18 ARG CA C 78 56.350 55.335 1.015 1
1 179 . 6 1 1 A 18 18 ARG CB C 78 31.310 31.246 0.064 1
1 182 . 6 1 1 A 18 18 ARG N N 78 124.390 122.136 2.254 1
1 183 . 6 1 1 A 19 19 ALA H H 79 8.340 8.411 -0.071 1
1 184 . 6 1 1 A 19 19 ALA HA H 79 4.170 4.356 -0.186 1
1 188 . 6 1 1 A 19 19 ALA C C 79 177.620 177.542 0.078 1
1 189 . 6 1 1 A 19 19 ALA CA C 79 52.710 52.389 0.321 1
1 190 . 6 1 1 A 19 19 ALA CB C 79 18.710 19.129 -0.419 1
1 191 . 6 1 1 A 19 19 ALA N N 79 123.880 127.517 -3.637 1
1 192 . 6 1 1 A 20 20 ALA H H 80 8.470 8.970 -0.500 1
1 193 . 6 1 1 A 20 20 ALA HA H 80 3.540 4.562 -1.022 1
1 197 . 6 1 1 A 20 20 ALA C C 80 177.560 177.398 0.162 1
1 198 . 6 1 1 A 20 20 ALA CA C 80 52.840 51.996 0.844 1
1 199 . 6 1 1 A 20 20 ALA CB C 80 19.050 19.630 -0.580 1
1 200 . 6 1 1 A 20 20 ALA N N 80 124.580 123.110 1.470 1
1 201 . 6 1 1 A 21 21 GLY H H 81 8.090 8.556 -0.466 1
1 202 . 6 1 1 A 21 21 GLY HA2 H 81 3.800 4.119 -0.319 1
1 203 . 6 1 1 A 21 21 GLY HA3 H 81 4.430 4.144 0.286 1
1 204 . 6 1 1 A 21 21 GLY C C 81 173.170 174.576 -1.406 1
1 205 . 6 1 1 A 21 21 GLY CA C 81 44.390 44.908 -0.518 1
1 206 . 6 1 1 A 21 21 GLY N N 81 114.000 108.786 5.214 1
1 207 . 6 1 1 A 22 22 ASN H H 82 8.690 8.524 0.166 1
1 208 . 6 1 1 A 22 22 ASN HA H 82 4.650 5.147 -0.497 1
1 213 . 6 1 1 A 22 22 ASN C C 82 176.260 175.438 0.822 1
1 214 . 6 1 1 A 22 22 ASN CA C 82 53.580 53.860 -0.280 1
1 215 . 6 1 1 A 22 22 ASN CB C 82 39.580 41.655 -2.075 1
1 216 . 6 1 1 A 22 22 ASN N N 82 118.160 123.396 -5.236 1
1 218 . 6 1 1 A 23 23 ALA H H 83 8.720 7.651 1.069 1
1 219 . 6 1 1 A 23 23 ALA HA H 83 4.570 4.330 0.240 1
1 223 . 6 1 1 A 23 23 ALA C C 83 175.910 176.398 -0.488 1
1 224 . 6 1 1 A 23 23 ALA CA C 83 52.340 52.633 -0.293 1
1 225 . 6 1 1 A 23 23 ALA CB C 83 19.370 19.747 -0.377 1
1 226 . 6 1 1 A 23 23 ALA N N 83 125.180 121.580 3.600 1
1 227 . 6 1 1 A 24 24 SER H H 84 7.970 8.794 -0.824 1
1 228 . 6 1 1 A 24 24 SER HA H 84 5.310 5.104 0.206 1
1 230 . 6 1 1 A 24 24 SER C C 84 174.620 172.619 2.001 1
1 231 . 6 1 1 A 24 24 SER CA C 84 56.550 56.679 -0.129 1
1 232 . 6 1 1 A 24 24 SER CB C 84 66.420 65.879 0.541 1
1 233 . 6 1 1 A 24 24 SER N N 84 112.840 111.128 1.712 1
1 234 . 6 1 1 A 25 25 PHE H H 85 9.580 8.905 0.675 1
1 235 . 6 1 1 A 25 25 PHE HA H 85 4.320 4.719 -0.399 1
1 241 . 6 1 1 A 25 25 PHE C C 85 173.430 174.987 -1.557 1
1 242 . 6 1 1 A 25 25 PHE CA C 85 57.780 56.728 1.052 1
1 243 . 6 1 1 A 25 25 PHE CB C 85 38.780 38.611 0.169 1
1 247 . 6 1 1 A 25 25 PHE N N 85 125.520 125.501 0.019 1
1 248 . 6 1 1 A 26 26 SER H H 86 6.780 7.754 -0.974 1
1 249 . 6 1 1 A 26 26 SER HA H 86 4.430 4.779 -0.349 1
1 252 . 6 1 1 A 26 26 SER C C 86 174.200 175.081 -0.881 1
1 253 . 6 1 1 A 26 26 SER CA C 86 56.610 56.291 0.319 1
1 254 . 6 1 1 A 26 26 SER CB C 86 66.010 64.531 1.479 1
1 255 . 6 1 1 A 26 26 SER N N 86 118.860 119.273 -0.413 1
1 256 . 6 1 1 A 27 27 LYS H H 87 8.710 8.576 0.134 1
1 257 . 6 1 1 A 27 27 LYS HA H 87 3.850 3.782 0.068 1
1 263 . 6 1 1 A 27 27 LYS C C 87 178.490 178.897 -0.407 1
1 264 . 6 1 1 A 27 27 LYS CA C 87 59.390 59.130 0.260 1
1 265 . 6 1 1 A 27 27 LYS CB C 87 31.970 32.573 -0.603 1
1 269 . 6 1 1 A 27 27 LYS N N 87 121.790 119.750 2.040 1
1 270 . 6 1 1 A 28 28 ARG H H 88 8.010 7.714 0.296 1
1 271 . 6 1 1 A 28 28 ARG HA H 88 3.990 4.018 -0.028 1
1 277 . 6 1 1 A 28 28 ARG C C 88 178.890 178.503 0.387 1
1 278 . 6 1 1 A 28 28 ARG CA C 88 59.010 58.680 0.330 1
1 279 . 6 1 1 A 28 28 ARG CB C 88 30.120 29.998 0.122 1
1 282 . 6 1 1 A 28 28 ARG N N 88 119.520 119.820 -0.300 1
1 283 . 6 1 1 A 29 29 ILE H H 89 7.350 7.527 -0.177 1
1 284 . 6 1 1 A 29 29 ILE HA H 89 3.680 3.674 0.006 1
1 294 . 6 1 1 A 29 29 ILE C C 89 177.620 177.874 -0.254 1
1 295 . 6 1 1 A 29 29 ILE CA C 89 63.170 65.093 -1.923 1
1 296 . 6 1 1 A 29 29 ILE CB C 89 36.900 36.598 0.302 1
1 300 . 6 1 1 A 29 29 ILE N N 89 121.980 119.826 2.154 1
1 301 . 6 1 1 A 30 30 GLN H H 90 7.990 7.978 0.012 1
1 302 . 6 1 1 A 30 30 GLN HA H 90 3.630 3.868 -0.238 1
1 308 . 6 1 1 A 30 30 GLN C C 90 178.320 178.223 0.097 1
1 309 . 6 1 1 A 30 30 GLN CA C 90 59.200 59.260 -0.060 1
1 310 . 6 1 1 A 30 30 GLN CB C 90 28.700 28.062 0.638 1
1 312 . 6 1 1 A 30 30 GLN N N 90 121.020 120.849 0.171 1
1 314 . 6 1 1 A 31 31 LYS H H 91 7.990 7.978 0.012 1
1 315 . 6 1 1 A 31 31 LYS HA H 91 4.090 4.046 0.044 1
1 321 . 6 1 1 A 31 31 LYS C C 91 178.650 178.935 -0.285 1
1 322 . 6 1 1 A 31 31 LYS CA C 91 58.720 59.215 -0.495 1
1 323 . 6 1 1 A 31 31 LYS CB C 91 32.220 32.088 0.132 1
1 327 . 6 1 1 A 31 31 LYS N N 91 119.520 120.382 -0.862 1
1 328 . 6 1 1 A 32 32 SER H H 92 7.770 8.111 -0.341 1
1 329 . 6 1 1 A 32 32 SER HA H 92 4.320 4.076 0.244 1
1 332 . 6 1 1 A 32 32 SER C C 92 176.110 176.046 0.064 1
1 333 . 6 1 1 A 32 32 SER CA C 92 61.260 62.215 -0.955 1
1 334 . 6 1 1 A 32 32 SER CB C 92 63.610 63.013 0.597 1
1 335 . 6 1 1 A 32 32 SER N N 92 116.310 116.761 -0.451 1
1 336 . 6 1 1 A 33 33 ILE H H 93 7.960 7.922 0.038 1
1 337 . 6 1 1 A 33 33 ILE HA H 93 3.920 3.670 0.250 1
1 347 . 6 1 1 A 33 33 ILE C C 93 177.480 178.127 -0.647 1
1 348 . 6 1 1 A 33 33 ILE CA C 93 63.610 65.192 -1.582 1
1 349 . 6 1 1 A 33 33 ILE CB C 93 38.330 37.682 0.648 1
1 353 . 6 1 1 A 33 33 ILE N N 93 119.950 121.848 -1.898 1
1 354 . 6 1 1 A 34 34 SER H H 94 7.970 8.202 -0.232 1
1 355 . 6 1 1 A 34 34 SER HA H 94 4.390 4.007 0.383 1
1 357 . 6 1 1 A 34 34 SER C C 94 176.490 177.302 -0.812 1
1 358 . 6 1 1 A 34 34 SER CA C 94 60.560 61.471 -0.911 1
1 359 . 6 1 1 A 34 34 SER CB C 94 63.130 63.019 0.111 1
1 360 . 6 1 1 A 34 34 SER N N 94 117.230 116.153 1.077 1
1 361 . 6 1 1 A 35 35 GLN H H 95 8.220 8.005 0.215 1
1 362 . 6 1 1 A 35 35 GLN HA H 95 4.260 3.969 0.291 1
1 369 . 6 1 1 A 35 35 GLN C C 95 177.050 178.208 -1.158 1
1 370 . 6 1 1 A 35 35 GLN CA C 95 57.360 58.999 -1.639 1
1 371 . 6 1 1 A 35 35 GLN CB C 95 28.900 28.237 0.663 1
1 373 . 6 1 1 A 35 35 GLN N N 95 121.530 120.576 0.954 1
1 375 . 6 1 1 A 36 36 LYS H H 96 7.870 7.559 0.311 1
1 376 . 6 1 1 A 36 36 LYS HA H 96 4.280 4.175 0.105 1
1 383 . 6 1 1 A 36 36 LYS C C 96 176.160 176.616 -0.456 1
1 384 . 6 1 1 A 36 36 LYS CA C 96 56.570 58.318 -1.748 1
1 385 . 6 1 1 A 36 36 LYS CB C 96 33.600 32.871 0.729 1
1 389 . 6 1 1 A 36 36 LYS N N 96 118.550 116.305 2.245 1
1 390 . 6 1 1 A 37 37 LYS H H 97 8.110 8.516 -0.406 1
1 391 . 6 1 1 A 37 37 LYS HA H 97 4.110 3.964 0.146 1
1 396 . 6 1 1 A 37 37 LYS C C 97 176.210 175.192 1.018 1
1 397 . 6 1 1 A 37 37 LYS CA C 97 57.230 57.134 0.096 1
1 398 . 6 1 1 A 37 37 LYS CB C 97 30.580 30.953 -0.373 1
1 402 . 6 1 1 A 37 37 LYS N N 97 117.680 119.245 -1.565 1
1 403 . 6 1 1 A 38 38 VAL H H 98 7.430 7.852 -0.422 1
1 404 . 6 1 1 A 38 38 VAL HA H 98 4.350 4.938 -0.588 1
1 412 . 6 1 1 A 38 38 VAL C C 98 175.830 174.580 1.250 1
1 413 . 6 1 1 A 38 38 VAL CA C 98 60.580 58.637 1.943 1
1 414 . 6 1 1 A 38 38 VAL CB C 98 33.410 35.734 -2.324 1
1 417 . 6 1 1 A 38 38 VAL N N 98 115.860 116.099 -0.239 1
1 418 . 6 1 1 A 39 39 LYS H H 99 8.960 8.389 0.571 1
1 419 . 6 1 1 A 39 39 LYS HA H 99 4.430 4.477 -0.047 1
1 425 . 6 1 1 A 39 39 LYS C C 99 175.700 174.668 1.032 1
1 426 . 6 1 1 A 39 39 LYS CA C 99 55.420 55.967 -0.547 1
1 427 . 6 1 1 A 39 39 LYS CB C 99 30.580 30.928 -0.348 1
1 431 . 6 1 1 A 39 39 LYS N N 99 127.710 119.965 7.745 1
1 432 . 6 1 1 A 40 40 ILE H H 100 7.660 7.598 0.062 1
1 433 . 6 1 1 A 40 40 ILE HA H 100 5.020 5.111 -0.091 1
1 443 . 6 1 1 A 40 40 ILE C C 100 174.520 175.195 -0.675 1
1 444 . 6 1 1 A 40 40 ILE CA C 100 59.370 60.545 -1.175 1
1 445 . 6 1 1 A 40 40 ILE CB C 100 40.650 40.252 0.398 1
1 449 . 6 1 1 A 40 40 ILE N N 100 123.140 124.632 -1.492 1
1 450 . 6 1 1 A 41 41 GLU H H 101 8.490 8.979 -0.489 1
1 451 . 6 1 1 A 41 41 GLU HA H 101 4.620 4.984 -0.364 1
1 456 . 6 1 1 A 41 41 GLU C C 101 173.590 174.843 -1.253 1
1 457 . 6 1 1 A 41 41 GLU CA C 101 53.740 54.217 -0.477 1
1 458 . 6 1 1 A 41 41 GLU CB C 101 34.580 33.449 1.131 1
1 460 . 6 1 1 A 41 41 GLU N N 101 123.460 124.598 -1.138 1
1 461 . 6 1 1 A 42 42 LEU H H 102 8.490 8.204 0.286 1
1 462 . 6 1 1 A 42 42 LEU HA H 102 3.790 4.349 -0.559 1
1 472 . 6 1 1 A 42 42 LEU C C 102 176.440 176.142 0.298 1
1 473 . 6 1 1 A 42 42 LEU CA C 102 55.190 54.450 0.740 1
1 474 . 6 1 1 A 42 42 LEU CB C 102 43.100 43.170 -0.070 1
1 478 . 6 1 1 A 42 42 LEU N N 102 123.470 123.033 0.437 1
1 479 . 6 1 1 A 43 43 ASP H H 103 8.770 8.167 0.603 1
1 480 . 6 1 1 A 43 43 ASP HA H 103 4.520 4.626 -0.106 1
1 483 . 6 1 1 A 43 43 ASP C C 103 177.600 176.777 0.823 1
1 484 . 6 1 1 A 43 43 ASP CA C 103 53.740 54.536 -0.796 1
1 485 . 6 1 1 A 43 43 ASP CB C 103 41.880 42.383 -0.503 1
1 486 . 6 1 1 A 43 43 ASP N N 103 127.210 125.375 1.835 1
1 487 . 6 1 1 A 44 44 LYS H H 104 8.910 9.142 -0.232 1
1 488 . 6 1 1 A 44 44 LYS HA H 104 3.920 4.398 -0.478 1
1 495 . 6 1 1 A 44 44 LYS C C 104 177.340 177.489 -0.149 1
1 496 . 6 1 1 A 44 44 LYS CA C 104 58.930 57.033 1.897 1
1 497 . 6 1 1 A 44 44 LYS CB C 104 32.000 32.572 -0.572 1
1 501 . 6 1 1 A 44 44 LYS N N 104 129.080 126.989 2.091 1
1 502 . 6 1 1 A 45 45 SER H H 105 8.740 7.812 0.928 1
1 503 . 6 1 1 A 45 45 SER HA H 105 4.370 4.459 -0.089 1
1 506 . 6 1 1 A 45 45 SER C C 105 175.040 174.645 0.395 1
1 507 . 6 1 1 A 45 45 SER CA C 105 59.150 59.262 -0.112 1
1 508 . 6 1 1 A 45 45 SER CB C 105 63.830 63.962 -0.132 1
1 509 . 6 1 1 A 45 45 SER N N 105 115.270 113.216 2.054 1
1 510 . 6 1 1 A 46 46 ALA H H 106 7.430 7.422 0.008 1
1 511 . 6 1 1 A 46 46 ALA HA H 106 4.150 4.164 -0.014 1
1 515 . 6 1 1 A 46 46 ALA CA C 106 53.300 51.553 1.747 1
1 516 . 6 1 1 A 46 46 ALA CB C 106 19.190 19.776 -0.586 1
1 517 . 6 1 1 A 46 46 ALA N N 106 125.120 123.747 1.373 1
1 518 . 6 1 1 A 47 47 ARG HA H 107 4.280 4.561 -0.281 1
1 526 . 6 1 1 A 48 48 HIS HA H 108 4.650 5.311 -0.661 1
1 531 . 6 1 1 A 48 48 HIS C C 108 173.160 173.892 -0.732 1
1 532 . 6 1 1 A 48 48 HIS CA C 108 54.990 53.285 1.705 1
1 533 . 6 1 1 A 48 48 HIS CB C 108 33.400 33.298 0.102 1
1 538 . 6 1 1 A 49 49 LEU H H 109 8.030 9.122 -1.092 1
1 539 . 6 1 1 A 49 49 LEU HA H 109 5.040 4.736 0.304 1
1 549 . 6 1 1 A 49 49 LEU CA C 109 54.480 53.876 0.604 1
1 550 . 6 1 1 A 49 49 LEU CB C 109 43.010 42.292 0.718 1
1 554 . 6 1 1 A 49 49 LEU N N 109 120.130 120.155 -0.025 1
1 555 . 6 1 1 A 50 50 TYR HA H 110 5.020 5.187 -0.167 1
1 560 . 6 1 1 A 50 50 TYR C C 110 176.960 175.861 1.099 1
1 561 . 6 1 1 A 50 50 TYR CA C 110 60.340 56.339 4.001 1
1 562 . 6 1 1 A 50 50 TYR CB C 110 39.210 39.747 -0.537 1
1 565 . 6 1 1 A 51 51 ILE H H 111 8.510 8.516 -0.006 1
1 566 . 6 1 1 A 51 51 ILE HA H 111 5.960 4.563 1.397 1
1 576 . 6 1 1 A 51 51 ILE C C 111 177.900 176.154 1.746 1
1 577 . 6 1 1 A 51 51 ILE CA C 111 58.100 59.796 -1.696 1
1 578 . 6 1 1 A 51 51 ILE CB C 111 41.370 40.132 1.238 1
1 582 . 6 1 1 A 51 51 ILE N N 111 115.050 121.532 -6.482 1
1 583 . 6 1 1 A 52 52 CYS H H 112 9.830 8.882 0.948 1
1 584 . 6 1 1 A 52 52 CYS HA H 112 5.000 4.870 0.130 1
1 587 . 6 1 1 A 52 52 CYS C C 112 175.420 175.809 -0.389 1
1 588 . 6 1 1 A 52 52 CYS CA C 112 57.770 57.270 0.500 1
1 589 . 6 1 1 A 52 52 CYS CB C 112 33.120 29.909 3.211 1
1 590 . 6 1 1 A 52 52 CYS N N 112 125.820 121.662 4.158 1
1 591 . 6 1 1 A 53 53 ASP H H 113 9.000 8.876 0.124 1
1 592 . 6 1 1 A 53 53 ASP HA H 113 4.510 4.336 0.174 1
1 594 . 6 1 1 A 53 53 ASP C C 113 178.140 178.034 0.106 1
1 595 . 6 1 1 A 53 53 ASP CA C 113 57.330 57.325 0.005 1
1 596 . 6 1 1 A 53 53 ASP CB C 113 39.730 40.697 -0.967 1
1 597 . 6 1 1 A 53 53 ASP N N 113 121.960 120.434 1.526 1
1 598 . 6 1 1 A 54 54 TYR H H 114 8.220 8.112 0.108 1
1 599 . 6 1 1 A 54 54 TYR HA H 114 4.100 4.157 -0.057 1
1 604 . 6 1 1 A 54 54 TYR C C 114 178.410 177.250 1.160 1
1 605 . 6 1 1 A 54 54 TYR CA C 114 61.970 61.752 0.218 1
1 606 . 6 1 1 A 54 54 TYR CB C 114 37.150 38.926 -1.776 1
1 609 . 6 1 1 A 54 54 TYR N N 114 123.510 122.376 1.134 1
1 610 . 6 1 1 A 55 55 HIS H H 115 10.090 7.769 2.321 1
1 611 . 6 1 1 A 55 55 HIS HA H 115 4.040 4.103 -0.063 1
1 616 . 6 1 1 A 55 55 HIS C C 115 177.240 177.495 -0.255 1
1 617 . 6 1 1 A 55 55 HIS CA C 115 63.870 59.717 4.153 1
1 618 . 6 1 1 A 55 55 HIS CB C 115 29.600 29.542 0.058 1
1 621 . 6 1 1 A 55 55 HIS N N 115 124.830 116.902 7.928 1
1 624 . 6 1 1 A 56 56 LYS H H 116 8.830 8.097 0.733 1
1 625 . 6 1 1 A 56 56 LYS HA H 116 3.720 3.881 -0.161 1
1 633 . 6 1 1 A 56 56 LYS C C 116 178.140 178.893 -0.753 1
1 634 . 6 1 1 A 56 56 LYS CA C 116 60.590 59.962 0.628 1
1 635 . 6 1 1 A 56 56 LYS CB C 116 32.230 32.392 -0.162 1
1 639 . 6 1 1 A 56 56 LYS N N 116 123.340 120.515 2.825 1
1 640 . 6 1 1 A 57 57 ASN H H 117 8.140 8.224 -0.084 1
1 641 . 6 1 1 A 57 57 ASN HA H 117 4.340 4.492 -0.152 1
1 646 . 6 1 1 A 57 57 ASN C C 117 177.570 177.472 0.098 1
1 647 . 6 1 1 A 57 57 ASN CA C 117 55.890 56.114 -0.224 1
1 648 . 6 1 1 A 57 57 ASN CB C 117 38.070 38.694 -0.624 1
1 649 . 6 1 1 A 57 57 ASN N N 117 116.920 118.251 -1.331 1
1 651 . 6 1 1 A 58 58 LEU H H 118 7.890 7.793 0.097 1
1 652 . 6 1 1 A 58 58 LEU HA H 118 3.930 3.955 -0.025 1
1 662 . 6 1 1 A 58 58 LEU C C 118 179.400 178.814 0.586 1
1 663 . 6 1 1 A 58 58 LEU CA C 118 58.420 58.217 0.203 1
1 664 . 6 1 1 A 58 58 LEU CB C 118 43.170 41.268 1.902 1
1 668 . 6 1 1 A 58 58 LEU N N 118 123.590 120.205 3.385 1
1 669 . 6 1 1 A 59 59 ILE H H 119 8.360 7.978 0.382 1
1 670 . 6 1 1 A 59 59 ILE HA H 119 3.470 3.892 -0.422 1
1 680 . 6 1 1 A 59 59 ILE C C 119 177.290 178.149 -0.859 1
1 681 . 6 1 1 A 59 59 ILE CA C 119 65.260 64.295 0.965 1
1 682 . 6 1 1 A 59 59 ILE CB C 119 38.330 37.839 0.491 1
1 686 . 6 1 1 A 59 59 ILE N N 119 118.630 119.209 -0.579 1
1 687 . 6 1 1 A 60 60 GLN H H 120 7.830 8.170 -0.340 1
1 688 . 6 1 1 A 60 60 GLN HA H 120 4.130 4.000 0.130 1
1 694 . 6 1 1 A 60 60 GLN C C 120 177.240 177.232 0.008 1
1 695 . 6 1 1 A 60 60 GLN CA C 120 57.750 59.142 -1.392 1
1 696 . 6 1 1 A 60 60 GLN CB C 120 28.910 28.286 0.624 1
1 698 . 6 1 1 A 60 60 GLN N N 120 117.840 120.385 -2.545 1
1 700 . 6 1 1 A 61 61 SER H H 121 7.790 7.588 0.202 1
1 701 . 6 1 1 A 61 61 SER HA H 121 4.300 4.535 -0.235 1
1 703 . 6 1 1 A 61 61 SER C C 121 175.650 173.444 2.206 1
1 704 . 6 1 1 A 61 61 SER CA C 121 60.090 58.274 1.816 1
1 705 . 6 1 1 A 61 61 SER CB C 121 63.570 62.788 0.782 1
1 706 . 6 1 1 A 61 61 SER N N 121 115.460 111.044 4.416 1
1 707 . 6 1 1 A 62 62 VAL H H 122 8.020 7.414 0.606 1
1 708 . 6 1 1 A 62 62 VAL HA H 122 4.020 4.489 -0.469 1
1 716 . 6 1 1 A 62 62 VAL C C 122 176.960 175.520 1.440 1
1 717 . 6 1 1 A 62 62 VAL CA C 122 63.600 60.900 2.700 1
1 718 . 6 1 1 A 62 62 VAL CB C 122 32.300 34.297 -1.997 1
1 721 . 6 1 1 A 62 62 VAL N N 122 121.600 121.414 0.186 1
1 722 . 6 1 1 A 63 63 ARG H H 123 8.130 8.782 -0.652 1
1 723 . 6 1 1 A 63 63 ARG HA H 123 4.190 3.787 0.403 1
1 729 . 6 1 1 A 63 63 ARG C C 123 176.490 174.506 1.984 1
1 730 . 6 1 1 A 63 63 ARG CA C 123 57.070 57.036 0.034 1
1 731 . 6 1 1 A 63 63 ARG CB C 123 30.780 27.616 3.164 1
1 734 . 6 1 1 A 63 63 ARG N N 123 122.770 123.312 -0.542 1
1 735 . 6 1 1 A 64 64 ASN H H 124 8.210 7.927 0.283 1
1 736 . 6 1 1 A 64 64 ASN HA H 124 4.650 4.913 -0.263 1
1 741 . 6 1 1 A 64 64 ASN C C 124 175.310 174.975 0.335 1
1 742 . 6 1 1 A 64 64 ASN CA C 124 53.500 52.409 1.091 1
1 743 . 6 1 1 A 64 64 ASN CB C 124 38.840 39.706 -0.866 1
1 744 . 6 1 1 A 64 64 ASN N N 124 119.350 116.545 2.805 1
1 746 . 6 1 1 A 65 65 ARG H H 125 8.100 8.780 -0.680 1
1 747 . 6 1 1 A 65 65 ARG HA H 125 4.270 4.031 0.239 1
1 752 . 6 1 1 A 65 65 ARG C C 125 176.310 176.637 -0.327 1
1 753 . 6 1 1 A 65 65 ARG CA C 125 56.580 58.872 -2.292 1
1 754 . 6 1 1 A 65 65 ARG CB C 125 30.810 30.572 0.238 1
1 757 . 6 1 1 A 65 65 ARG N N 125 122.230 125.479 -3.249 1
1 758 . 6 1 1 A 66 66 ARG H H 126 8.260 7.974 0.286 1
1 759 . 6 1 1 A 66 66 ARG HA H 126 4.270 4.063 0.207 1
1 764 . 6 1 1 A 66 66 ARG C C 126 176.210 176.040 0.170 1
1 765 . 6 1 1 A 66 66 ARG CA C 126 56.190 58.453 -2.263 1
1 766 . 6 1 1 A 66 66 ARG CB C 126 30.810 30.006 0.804 1
1 769 . 6 1 1 A 66 66 ARG N N 126 122.760 118.775 3.985 1
1 770 . 6 1 1 A 67 67 LYS H H 127 8.270 8.682 -0.412 1
1 771 . 6 1 1 A 67 67 LYS HA H 127 4.260 3.912 0.348 1
1 776 . 6 1 1 A 67 67 LYS C C 127 176.450 175.897 0.553 1
1 777 . 6 1 1 A 67 67 LYS CA C 127 56.320 57.910 -1.590 1
1 778 . 6 1 1 A 67 67 LYS CB C 127 33.180 32.213 0.967 1
1 782 . 6 1 1 A 67 67 LYS N N 127 123.620 120.751 2.869 1
1 783 . 6 1 1 A 68 68 ARG H H 128 8.340 7.819 0.521 1
1 784 . 6 1 1 A 68 68 ARG HA H 128 4.270 4.440 -0.170 1
1 788 . 6 1 1 A 68 68 ARG C C 128 176.250 175.946 0.304 1
1 789 . 6 1 1 A 68 68 ARG CA C 128 56.130 55.663 0.467 1
1 790 . 6 1 1 A 68 68 ARG CB C 128 31.060 31.551 -0.491 1
1 793 . 6 1 1 A 68 68 ARG N N 128 123.750 120.167 3.583 1
1 794 . 6 1 1 A 69 69 LYS H H 129 8.450 8.762 -0.312 1
1 795 . 6 1 1 A 69 69 LYS HA H 129 4.250 4.678 -0.428 1
1 800 . 6 1 1 A 69 69 LYS C C 129 177.010 176.326 0.684 1
1 801 . 6 1 1 A 69 69 LYS CA C 129 57.000 56.152 0.848 1
1 802 . 6 1 1 A 69 69 LYS CB C 129 32.940 34.711 -1.771 1
1 806 . 6 1 1 A 69 69 LYS N N 129 124.580 117.965 6.615 1
1 807 . 6 1 1 A 70 70 GLY H H 130 8.500 7.398 1.102 1
1 808 . 6 1 1 A 70 70 GLY HA2 H 130 3.910 4.068 -0.158 1
1 809 . 6 1 1 A 70 70 GLY HA3 H 130 4.010 4.068 -0.058 1
1 810 . 6 1 1 A 70 70 GLY C C 130 173.360 171.807 1.553 1
1 811 . 6 1 1 A 70 70 GLY CA C 130 45.370 45.657 -0.287 1
1 812 . 6 1 1 A 70 70 GLY N N 130 112.470 107.621 4.849 1
1 6 . 7 1 1 A 2 2 ASN HA H 62 4.610 5.075 -0.465 1
1 10 . 7 1 1 A 2 2 ASN C C 62 174.760 175.538 -0.778 1
1 11 . 7 1 1 A 2 2 ASN CA C 62 53.100 52.953 0.147 1
1 12 . 7 1 1 A 2 2 ASN CB C 62 38.790 39.183 -0.393 1
1 14 . 7 1 1 A 3 3 ALA H H 63 8.300 7.997 0.303 1
1 15 . 7 1 1 A 3 3 ALA HA H 63 4.200 4.504 -0.304 1
1 19 . 7 1 1 A 3 3 ALA C C 63 178.180 176.830 1.350 1
1 20 . 7 1 1 A 3 3 ALA CA C 63 53.070 50.912 2.158 1
1 21 . 7 1 1 A 3 3 ALA CB C 63 18.960 19.940 -0.980 1
1 22 . 7 1 1 A 3 3 ALA N N 63 125.390 122.904 2.486 1
1 23 . 7 1 1 A 4 4 GLY H H 64 8.340 7.581 0.759 1
1 24 . 7 1 1 A 4 4 GLY HA2 H 64 3.800 4.101 -0.301 1
1 25 . 7 1 1 A 4 4 GLY HA3 H 64 3.860 4.113 -0.253 1
1 26 . 7 1 1 A 4 4 GLY C C 64 174.010 173.522 0.488 1
1 27 . 7 1 1 A 4 4 GLY CA C 64 45.350 45.689 -0.339 1
1 28 . 7 1 1 A 4 4 GLY N N 64 109.300 105.825 3.475 1
1 29 . 7 1 1 A 5 5 GLN H H 65 7.950 8.211 -0.261 1
1 30 . 7 1 1 A 5 5 GLN HA H 65 4.330 4.381 -0.051 1
1 35 . 7 1 1 A 5 5 GLN C C 65 175.560 174.948 0.612 1
1 36 . 7 1 1 A 5 5 GLN CA C 65 55.400 56.221 -0.821 1
1 37 . 7 1 1 A 5 5 GLN CB C 65 29.860 30.078 -0.218 1
1 39 . 7 1 1 A 5 5 GLN N N 65 119.540 122.258 -2.718 1
1 41 . 7 1 1 A 6 6 LEU H H 66 8.740 8.627 0.113 1
1 42 . 7 1 1 A 6 6 LEU HA H 66 4.610 5.147 -0.537 1
1 52 . 7 1 1 A 6 6 LEU C C 66 175.750 175.212 0.538 1
1 53 . 7 1 1 A 6 6 LEU CA C 66 54.010 53.365 0.645 1
1 54 . 7 1 1 A 6 6 LEU CB C 66 43.490 45.370 -1.880 1
1 58 . 7 1 1 A 6 6 LEU N N 66 126.120 121.260 4.860 1
1 59 . 7 1 1 A 7 7 CYS H H 67 8.470 8.795 -0.325 1
1 60 . 7 1 1 A 7 7 CYS HA H 67 4.140 4.416 -0.276 1
1 63 . 7 1 1 A 7 7 CYS C C 67 175.320 175.299 0.021 1
1 64 . 7 1 1 A 7 7 CYS CA C 67 60.780 59.579 1.201 1
1 65 . 7 1 1 A 7 7 CYS CB C 67 32.850 28.597 4.253 1
1 66 . 7 1 1 A 7 7 CYS N N 67 123.170 123.483 -0.313 1
1 67 . 7 1 1 A 8 8 CYS H H 68 8.170 8.603 -0.433 1
1 68 . 7 1 1 A 8 8 CYS HA H 68 4.280 4.821 -0.541 1
1 72 . 7 1 1 A 8 8 CYS C C 68 172.410 173.141 -0.731 1
1 73 . 7 1 1 A 8 8 CYS CA C 68 58.920 58.369 0.551 1
1 74 . 7 1 1 A 8 8 CYS CB C 68 28.920 29.023 -0.103 1
1 75 . 7 1 1 A 8 8 CYS N N 68 124.700 123.154 1.546 1
1 76 . 7 1 1 A 9 9 LEU H H 69 8.180 7.121 1.059 1
1 77 . 7 1 1 A 9 9 LEU HA H 69 4.580 4.696 -0.116 1
1 87 . 7 1 1 A 9 9 LEU C C 69 176.770 175.708 1.062 1
1 88 . 7 1 1 A 9 9 LEU CA C 69 54.760 53.109 1.651 1
1 89 . 7 1 1 A 9 9 LEU CB C 69 43.150 45.532 -2.382 1
1 93 . 7 1 1 A 9 9 LEU N N 69 122.650 123.090 -0.440 1
1 94 . 7 1 1 A 10 10 ARG H H 70 8.880 8.070 0.810 1
1 95 . 7 1 1 A 10 10 ARG HA H 70 4.770 5.643 -0.873 1
1 102 . 7 1 1 A 10 10 ARG C C 70 174.900 174.145 0.755 1
1 103 . 7 1 1 A 10 10 ARG CA C 70 54.710 54.178 0.532 1
1 104 . 7 1 1 A 10 10 ARG CB C 70 33.390 34.200 -0.810 1
1 107 . 7 1 1 A 10 10 ARG N N 70 117.650 120.019 -2.369 1
1 108 . 7 1 1 A 11 11 GLU H H 71 8.640 9.527 -0.887 1
1 109 . 7 1 1 A 11 11 GLU HA H 71 5.090 4.755 0.335 1
1 113 . 7 1 1 A 11 11 GLU C C 71 176.070 175.689 0.381 1
1 114 . 7 1 1 A 11 11 GLU CA C 71 54.270 55.052 -0.782 1
1 115 . 7 1 1 A 11 11 GLU CB C 71 32.460 31.081 1.379 1
1 117 . 7 1 1 A 11 11 GLU N N 71 123.910 124.705 -0.795 1
1 118 . 7 1 1 A 12 12 ASP H H 72 9.510 9.265 0.245 1
1 119 . 7 1 1 A 12 12 ASP HA H 72 4.270 4.409 -0.139 1
1 122 . 7 1 1 A 12 12 ASP C C 72 175.890 176.091 -0.201 1
1 123 . 7 1 1 A 12 12 ASP CA C 72 55.880 55.346 0.534 1
1 124 . 7 1 1 A 12 12 ASP CB C 72 39.910 39.447 0.463 1
1 125 . 7 1 1 A 12 12 ASP N N 72 129.440 128.636 0.804 1
1 126 . 7 1 1 A 13 13 GLY H H 73 8.970 8.634 0.336 1
1 127 . 7 1 1 A 13 13 GLY HA2 H 73 3.520 3.839 -0.319 1
1 128 . 7 1 1 A 13 13 GLY HA3 H 73 4.200 3.844 0.356 1
1 129 . 7 1 1 A 13 13 GLY C C 73 173.960 173.676 0.284 1
1 130 . 7 1 1 A 13 13 GLY CA C 73 45.350 45.364 -0.014 1
1 131 . 7 1 1 A 13 13 GLY N N 73 103.500 103.865 -0.365 1
1 132 . 7 1 1 A 14 14 GLU H H 74 7.660 8.033 -0.373 1
1 133 . 7 1 1 A 14 14 GLU HA H 74 4.640 4.719 -0.079 1
1 138 . 7 1 1 A 14 14 GLU C C 74 176.170 175.384 0.786 1
1 139 . 7 1 1 A 14 14 GLU CA C 74 54.460 54.640 -0.180 1
1 140 . 7 1 1 A 14 14 GLU CB C 74 32.050 31.739 0.311 1
1 142 . 7 1 1 A 14 14 GLU N N 74 121.330 120.134 1.196 1
1 143 . 7 1 1 A 15 15 ARG H H 75 9.000 8.483 0.517 1
1 144 . 7 1 1 A 15 15 ARG HA H 75 4.120 4.361 -0.241 1
1 150 . 7 1 1 A 15 15 ARG C C 75 175.230 176.026 -0.796 1
1 151 . 7 1 1 A 15 15 ARG CA C 75 56.640 56.013 0.627 1
1 152 . 7 1 1 A 15 15 ARG CB C 75 29.720 31.385 -1.665 1
1 155 . 7 1 1 A 15 15 ARG N N 75 127.990 123.630 4.360 1
1 156 . 7 1 1 A 16 16 CYS H H 76 8.870 9.174 -0.304 1
1 157 . 7 1 1 A 16 16 CYS HA H 76 4.170 4.534 -0.364 1
1 160 . 7 1 1 A 16 16 CYS CA C 76 61.840 61.090 0.750 1
1 161 . 7 1 1 A 16 16 CYS CB C 76 31.150 28.613 2.537 1
1 162 . 7 1 1 A 16 16 CYS N N 76 131.840 123.526 8.314 1
1 163 . 7 1 1 A 17 17 GLY H H 77 8.530 8.098 0.432 1
1 164 . 7 1 1 A 17 17 GLY HA2 H 77 3.680 3.976 -0.296 1
1 165 . 7 1 1 A 17 17 GLY HA3 H 77 4.340 3.989 0.351 1
1 166 . 7 1 1 A 17 17 GLY C C 77 174.620 174.362 0.258 1
1 167 . 7 1 1 A 17 17 GLY CA C 77 45.110 45.044 0.066 1
1 168 . 7 1 1 A 17 17 GLY N N 77 111.930 108.852 3.078 1
1 169 . 7 1 1 A 18 18 ARG H H 78 8.960 7.896 1.064 1
1 170 . 7 1 1 A 18 18 ARG HA H 78 4.290 4.299 -0.009 1
1 177 . 7 1 1 A 18 18 ARG C C 78 175.270 176.029 -0.759 1
1 178 . 7 1 1 A 18 18 ARG CA C 78 56.350 56.154 0.196 1
1 179 . 7 1 1 A 18 18 ARG CB C 78 31.310 30.947 0.363 1
1 182 . 7 1 1 A 18 18 ARG N N 78 124.390 122.614 1.776 1
1 183 . 7 1 1 A 19 19 ALA H H 79 8.340 8.345 -0.005 1
1 184 . 7 1 1 A 19 19 ALA HA H 79 4.170 4.387 -0.217 1
1 188 . 7 1 1 A 19 19 ALA C C 79 177.620 177.540 0.080 1
1 189 . 7 1 1 A 19 19 ALA CA C 79 52.710 52.476 0.234 1
1 190 . 7 1 1 A 19 19 ALA CB C 79 18.710 19.177 -0.467 1
1 191 . 7 1 1 A 19 19 ALA N N 79 123.880 127.444 -3.564 1
1 192 . 7 1 1 A 20 20 ALA H H 80 8.470 8.991 -0.521 1
1 193 . 7 1 1 A 20 20 ALA HA H 80 3.540 4.625 -1.085 1
1 197 . 7 1 1 A 20 20 ALA C C 80 177.560 177.808 -0.248 1
1 198 . 7 1 1 A 20 20 ALA CA C 80 52.840 51.974 0.866 1
1 199 . 7 1 1 A 20 20 ALA CB C 80 19.050 19.748 -0.698 1
1 200 . 7 1 1 A 20 20 ALA N N 80 124.580 123.188 1.392 1
1 201 . 7 1 1 A 21 21 GLY H H 81 8.090 8.371 -0.281 1
1 202 . 7 1 1 A 21 21 GLY HA2 H 81 3.800 4.178 -0.378 1
1 203 . 7 1 1 A 21 21 GLY HA3 H 81 4.430 4.193 0.237 1
1 204 . 7 1 1 A 21 21 GLY C C 81 173.170 174.284 -1.114 1
1 205 . 7 1 1 A 21 21 GLY CA C 81 44.390 44.652 -0.262 1
1 206 . 7 1 1 A 21 21 GLY N N 81 114.000 107.677 6.323 1
1 207 . 7 1 1 A 22 22 ASN H H 82 8.690 8.498 0.192 1
1 208 . 7 1 1 A 22 22 ASN HA H 82 4.650 4.931 -0.281 1
1 213 . 7 1 1 A 22 22 ASN C C 82 176.260 175.583 0.677 1
1 214 . 7 1 1 A 22 22 ASN CA C 82 53.580 53.109 0.471 1
1 215 . 7 1 1 A 22 22 ASN CB C 82 39.580 39.477 0.103 1
1 216 . 7 1 1 A 22 22 ASN N N 82 118.160 118.012 0.148 1
1 218 . 7 1 1 A 23 23 ALA H H 83 8.720 7.585 1.135 1
1 219 . 7 1 1 A 23 23 ALA HA H 83 4.570 4.308 0.262 1
1 223 . 7 1 1 A 23 23 ALA C C 83 175.910 176.383 -0.473 1
1 224 . 7 1 1 A 23 23 ALA CA C 83 52.340 52.302 0.038 1
1 225 . 7 1 1 A 23 23 ALA CB C 83 19.370 20.044 -0.674 1
1 226 . 7 1 1 A 23 23 ALA N N 83 125.180 123.815 1.365 1
1 227 . 7 1 1 A 24 24 SER H H 84 7.970 8.428 -0.458 1
1 228 . 7 1 1 A 24 24 SER HA H 84 5.310 4.851 0.459 1
1 230 . 7 1 1 A 24 24 SER C C 84 174.620 172.205 2.415 1
1 231 . 7 1 1 A 24 24 SER CA C 84 56.550 57.154 -0.604 1
1 232 . 7 1 1 A 24 24 SER CB C 84 66.420 66.527 -0.107 1
1 233 . 7 1 1 A 24 24 SER N N 84 112.840 114.932 -2.092 1
1 234 . 7 1 1 A 25 25 PHE H H 85 9.580 8.891 0.689 1
1 235 . 7 1 1 A 25 25 PHE HA H 85 4.320 4.746 -0.426 1
1 241 . 7 1 1 A 25 25 PHE C C 85 173.430 174.552 -1.122 1
1 242 . 7 1 1 A 25 25 PHE CA C 85 57.780 56.387 1.393 1
1 243 . 7 1 1 A 25 25 PHE CB C 85 38.780 38.724 0.056 1
1 247 . 7 1 1 A 25 25 PHE N N 85 125.520 126.423 -0.903 1
1 248 . 7 1 1 A 26 26 SER H H 86 6.780 7.761 -0.981 1
1 249 . 7 1 1 A 26 26 SER HA H 86 4.430 4.799 -0.369 1
1 252 . 7 1 1 A 26 26 SER C C 86 174.200 175.076 -0.876 1
1 253 . 7 1 1 A 26 26 SER CA C 86 56.610 56.322 0.288 1
1 254 . 7 1 1 A 26 26 SER CB C 86 66.010 64.760 1.250 1
1 255 . 7 1 1 A 26 26 SER N N 86 118.860 118.499 0.361 1
1 256 . 7 1 1 A 27 27 LYS H H 87 8.710 8.594 0.116 1
1 257 . 7 1 1 A 27 27 LYS HA H 87 3.850 3.792 0.058 1
1 263 . 7 1 1 A 27 27 LYS C C 87 178.490 178.906 -0.416 1
1 264 . 7 1 1 A 27 27 LYS CA C 87 59.390 59.122 0.268 1
1 265 . 7 1 1 A 27 27 LYS CB C 87 31.970 32.540 -0.570 1
1 269 . 7 1 1 A 27 27 LYS N N 87 121.790 119.877 1.913 1
1 270 . 7 1 1 A 28 28 ARG H H 88 8.010 7.778 0.232 1
1 271 . 7 1 1 A 28 28 ARG HA H 88 3.990 4.017 -0.027 1
1 277 . 7 1 1 A 28 28 ARG C C 88 178.890 178.755 0.135 1
1 278 . 7 1 1 A 28 28 ARG CA C 88 59.010 58.650 0.360 1
1 279 . 7 1 1 A 28 28 ARG CB C 88 30.120 29.744 0.376 1
1 282 . 7 1 1 A 28 28 ARG N N 88 119.520 119.658 -0.138 1
1 283 . 7 1 1 A 29 29 ILE H H 89 7.350 8.070 -0.720 1
1 284 . 7 1 1 A 29 29 ILE HA H 89 3.680 3.650 0.030 1
1 294 . 7 1 1 A 29 29 ILE C C 89 177.620 177.621 -0.001 1
1 295 . 7 1 1 A 29 29 ILE CA C 89 63.170 65.245 -2.075 1
1 296 . 7 1 1 A 29 29 ILE CB C 89 36.900 37.112 -0.212 1
1 300 . 7 1 1 A 29 29 ILE N N 89 121.980 119.984 1.996 1
1 301 . 7 1 1 A 30 30 GLN H H 90 7.990 7.538 0.452 1
1 302 . 7 1 1 A 30 30 GLN HA H 90 3.630 3.898 -0.268 1
1 308 . 7 1 1 A 30 30 GLN C C 90 178.320 178.523 -0.203 1
1 309 . 7 1 1 A 30 30 GLN CA C 90 59.200 59.158 0.042 1
1 310 . 7 1 1 A 30 30 GLN CB C 90 28.700 28.546 0.154 1
1 312 . 7 1 1 A 30 30 GLN N N 90 121.020 120.057 0.963 1
1 314 . 7 1 1 A 31 31 LYS H H 91 7.990 8.369 -0.379 1
1 315 . 7 1 1 A 31 31 LYS HA H 91 4.090 4.029 0.061 1
1 321 . 7 1 1 A 31 31 LYS C C 91 178.650 179.150 -0.500 1
1 322 . 7 1 1 A 31 31 LYS CA C 91 58.720 58.963 -0.243 1
1 323 . 7 1 1 A 31 31 LYS CB C 91 32.220 32.176 0.044 1
1 327 . 7 1 1 A 31 31 LYS N N 91 119.520 119.557 -0.037 1
1 328 . 7 1 1 A 32 32 SER H H 92 7.770 7.921 -0.151 1
1 329 . 7 1 1 A 32 32 SER HA H 92 4.320 4.123 0.197 1
1 332 . 7 1 1 A 32 32 SER C C 92 176.110 175.934 0.176 1
1 333 . 7 1 1 A 32 32 SER CA C 92 61.260 62.184 -0.924 1
1 334 . 7 1 1 A 32 32 SER CB C 92 63.610 63.141 0.469 1
1 335 . 7 1 1 A 32 32 SER N N 92 116.310 116.917 -0.607 1
1 336 . 7 1 1 A 33 33 ILE H H 93 7.960 8.144 -0.184 1
1 337 . 7 1 1 A 33 33 ILE HA H 93 3.920 3.681 0.239 1
1 347 . 7 1 1 A 33 33 ILE C C 93 177.480 178.000 -0.520 1
1 348 . 7 1 1 A 33 33 ILE CA C 93 63.610 65.044 -1.434 1
1 349 . 7 1 1 A 33 33 ILE CB C 93 38.330 37.554 0.776 1
1 353 . 7 1 1 A 33 33 ILE N N 93 119.950 121.823 -1.873 1
1 354 . 7 1 1 A 34 34 SER H H 94 7.970 8.009 -0.039 1
1 355 . 7 1 1 A 34 34 SER HA H 94 4.390 4.110 0.280 1
1 357 . 7 1 1 A 34 34 SER C C 94 176.490 176.460 0.030 1
1 358 . 7 1 1 A 34 34 SER CA C 94 60.560 62.130 -1.570 1
1 359 . 7 1 1 A 34 34 SER CB C 94 63.130 62.962 0.168 1
1 360 . 7 1 1 A 34 34 SER N N 94 117.230 115.667 1.563 1
1 361 . 7 1 1 A 35 35 GLN H H 95 8.220 7.385 0.835 1
1 362 . 7 1 1 A 35 35 GLN HA H 95 4.260 4.152 0.108 1
1 369 . 7 1 1 A 35 35 GLN C C 95 177.050 178.890 -1.840 1
1 370 . 7 1 1 A 35 35 GLN CA C 95 57.360 58.592 -1.232 1
1 371 . 7 1 1 A 35 35 GLN CB C 95 28.900 28.466 0.434 1
1 373 . 7 1 1 A 35 35 GLN N N 95 121.530 121.320 0.210 1
1 375 . 7 1 1 A 36 36 LYS H H 96 7.870 7.518 0.352 1
1 376 . 7 1 1 A 36 36 LYS HA H 96 4.280 4.217 0.063 1
1 383 . 7 1 1 A 36 36 LYS C C 96 176.160 176.025 0.135 1
1 384 . 7 1 1 A 36 36 LYS CA C 96 56.570 57.684 -1.114 1
1 385 . 7 1 1 A 36 36 LYS CB C 96 33.600 32.835 0.765 1
1 389 . 7 1 1 A 36 36 LYS N N 96 118.550 117.391 1.159 1
1 390 . 7 1 1 A 37 37 LYS H H 97 8.110 8.249 -0.139 1
1 391 . 7 1 1 A 37 37 LYS HA H 97 4.110 3.865 0.245 1
1 396 . 7 1 1 A 37 37 LYS C C 97 176.210 175.231 0.979 1
1 397 . 7 1 1 A 37 37 LYS CA C 97 57.230 57.169 0.061 1
1 398 . 7 1 1 A 37 37 LYS CB C 97 30.580 30.202 0.378 1
1 402 . 7 1 1 A 37 37 LYS N N 97 117.680 116.477 1.203 1
1 403 . 7 1 1 A 38 38 VAL H H 98 7.430 7.797 -0.367 1
1 404 . 7 1 1 A 38 38 VAL HA H 98 4.350 4.862 -0.512 1
1 412 . 7 1 1 A 38 38 VAL C C 98 175.830 174.997 0.833 1
1 413 . 7 1 1 A 38 38 VAL CA C 98 60.580 58.626 1.954 1
1 414 . 7 1 1 A 38 38 VAL CB C 98 33.410 34.813 -1.403 1
1 417 . 7 1 1 A 38 38 VAL N N 98 115.860 114.506 1.354 1
1 418 . 7 1 1 A 39 39 LYS H H 99 8.960 8.443 0.517 1
1 419 . 7 1 1 A 39 39 LYS HA H 99 4.430 4.423 0.007 1
1 425 . 7 1 1 A 39 39 LYS C C 99 175.700 174.494 1.206 1
1 426 . 7 1 1 A 39 39 LYS CA C 99 55.420 56.128 -0.708 1
1 427 . 7 1 1 A 39 39 LYS CB C 99 30.580 30.577 0.003 1
1 431 . 7 1 1 A 39 39 LYS N N 99 127.710 119.363 8.347 1
1 432 . 7 1 1 A 40 40 ILE H H 100 7.660 7.623 0.037 1
1 433 . 7 1 1 A 40 40 ILE HA H 100 5.020 5.088 -0.068 1
1 443 . 7 1 1 A 40 40 ILE C C 100 174.520 174.921 -0.401 1
1 444 . 7 1 1 A 40 40 ILE CA C 100 59.370 60.482 -1.112 1
1 445 . 7 1 1 A 40 40 ILE CB C 100 40.650 40.595 0.055 1
1 449 . 7 1 1 A 40 40 ILE N N 100 123.140 122.361 0.779 1
1 450 . 7 1 1 A 41 41 GLU H H 101 8.490 9.077 -0.587 1
1 451 . 7 1 1 A 41 41 GLU HA H 101 4.620 4.950 -0.330 1
1 456 . 7 1 1 A 41 41 GLU C C 101 173.590 174.337 -0.747 1
1 457 . 7 1 1 A 41 41 GLU CA C 101 53.740 54.250 -0.510 1
1 458 . 7 1 1 A 41 41 GLU CB C 101 34.580 33.417 1.163 1
1 460 . 7 1 1 A 41 41 GLU N N 101 123.460 124.512 -1.052 1
1 461 . 7 1 1 A 42 42 LEU H H 102 8.490 8.254 0.236 1
1 462 . 7 1 1 A 42 42 LEU HA H 102 3.790 4.428 -0.638 1
1 472 . 7 1 1 A 42 42 LEU C C 102 176.440 176.061 0.379 1
1 473 . 7 1 1 A 42 42 LEU CA C 102 55.190 54.206 0.984 1
1 474 . 7 1 1 A 42 42 LEU CB C 102 43.100 43.607 -0.507 1
1 478 . 7 1 1 A 42 42 LEU N N 102 123.470 123.446 0.024 1
1 479 . 7 1 1 A 43 43 ASP H H 103 8.770 8.129 0.641 1
1 480 . 7 1 1 A 43 43 ASP HA H 103 4.520 4.588 -0.068 1
1 483 . 7 1 1 A 43 43 ASP C C 103 177.600 176.440 1.160 1
1 484 . 7 1 1 A 43 43 ASP CA C 103 53.740 54.383 -0.643 1
1 485 . 7 1 1 A 43 43 ASP CB C 103 41.880 42.541 -0.661 1
1 486 . 7 1 1 A 43 43 ASP N N 103 127.210 125.929 1.281 1
1 487 . 7 1 1 A 44 44 LYS H H 104 8.910 9.205 -0.295 1
1 488 . 7 1 1 A 44 44 LYS HA H 104 3.920 4.317 -0.397 1
1 495 . 7 1 1 A 44 44 LYS C C 104 177.340 178.601 -1.261 1
1 496 . 7 1 1 A 44 44 LYS CA C 104 58.930 57.542 1.388 1
1 497 . 7 1 1 A 44 44 LYS CB C 104 32.000 32.534 -0.534 1
1 501 . 7 1 1 A 44 44 LYS N N 104 129.080 126.656 2.424 1
1 502 . 7 1 1 A 45 45 SER H H 105 8.740 7.319 1.421 1
1 503 . 7 1 1 A 45 45 SER HA H 105 4.370 4.307 0.063 1
1 506 . 7 1 1 A 45 45 SER C C 105 175.040 174.880 0.160 1
1 507 . 7 1 1 A 45 45 SER CA C 105 59.150 61.164 -2.014 1
1 508 . 7 1 1 A 45 45 SER CB C 105 63.830 63.052 0.778 1
1 509 . 7 1 1 A 45 45 SER N N 105 115.270 112.335 2.935 1
1 510 . 7 1 1 A 46 46 ALA H H 106 7.430 7.228 0.202 1
1 511 . 7 1 1 A 46 46 ALA HA H 106 4.150 3.928 0.222 1
1 515 . 7 1 1 A 46 46 ALA CA C 106 53.300 53.263 0.037 1
1 516 . 7 1 1 A 46 46 ALA CB C 106 19.190 19.302 -0.112 1
1 517 . 7 1 1 A 46 46 ALA N N 106 125.120 125.402 -0.282 1
1 518 . 7 1 1 A 47 47 ARG HA H 107 4.280 4.228 0.052 1
1 526 . 7 1 1 A 48 48 HIS HA H 108 4.650 5.005 -0.355 1
1 531 . 7 1 1 A 48 48 HIS C C 108 173.160 172.809 0.351 1
1 532 . 7 1 1 A 48 48 HIS CA C 108 54.990 54.003 0.987 1
1 533 . 7 1 1 A 48 48 HIS CB C 108 33.400 32.695 0.705 1
1 538 . 7 1 1 A 49 49 LEU H H 109 8.030 8.851 -0.821 1
1 539 . 7 1 1 A 49 49 LEU HA H 109 5.040 4.629 0.411 1
1 549 . 7 1 1 A 49 49 LEU CA C 109 54.480 54.428 0.052 1
1 550 . 7 1 1 A 49 49 LEU CB C 109 43.010 43.365 -0.355 1
1 554 . 7 1 1 A 49 49 LEU N N 109 120.130 118.974 1.156 1
1 555 . 7 1 1 A 50 50 TYR HA H 110 5.020 4.499 0.521 1
1 560 . 7 1 1 A 50 50 TYR C C 110 176.960 175.327 1.633 1
1 561 . 7 1 1 A 50 50 TYR CA C 110 60.340 58.518 1.822 1
1 562 . 7 1 1 A 50 50 TYR CB C 110 39.210 37.283 1.927 1
1 565 . 7 1 1 A 51 51 ILE H H 111 8.510 8.480 0.030 1
1 566 . 7 1 1 A 51 51 ILE HA H 111 5.960 4.946 1.014 1
1 576 . 7 1 1 A 51 51 ILE C C 111 177.900 175.912 1.988 1
1 577 . 7 1 1 A 51 51 ILE CA C 111 58.100 59.297 -1.197 1
1 578 . 7 1 1 A 51 51 ILE CB C 111 41.370 40.391 0.979 1
1 582 . 7 1 1 A 51 51 ILE N N 111 115.050 121.153 -6.103 1
1 583 . 7 1 1 A 52 52 CYS H H 112 9.830 8.857 0.973 1
1 584 . 7 1 1 A 52 52 CYS HA H 112 5.000 4.789 0.211 1
1 587 . 7 1 1 A 52 52 CYS C C 112 175.420 175.629 -0.209 1
1 588 . 7 1 1 A 52 52 CYS CA C 112 57.770 58.303 -0.533 1
1 589 . 7 1 1 A 52 52 CYS CB C 112 33.120 29.780 3.340 1
1 590 . 7 1 1 A 52 52 CYS N N 112 125.820 122.182 3.638 1
1 591 . 7 1 1 A 53 53 ASP H H 113 9.000 8.949 0.051 1
1 592 . 7 1 1 A 53 53 ASP HA H 113 4.510 4.356 0.154 1
1 594 . 7 1 1 A 53 53 ASP C C 113 178.140 177.742 0.398 1
1 595 . 7 1 1 A 53 53 ASP CA C 113 57.330 57.233 0.097 1
1 596 . 7 1 1 A 53 53 ASP CB C 113 39.730 40.315 -0.585 1
1 597 . 7 1 1 A 53 53 ASP N N 113 121.960 122.185 -0.225 1
1 598 . 7 1 1 A 54 54 TYR H H 114 8.220 8.011 0.209 1
1 599 . 7 1 1 A 54 54 TYR HA H 114 4.100 4.223 -0.123 1
1 604 . 7 1 1 A 54 54 TYR C C 114 178.410 177.341 1.069 1
1 605 . 7 1 1 A 54 54 TYR CA C 114 61.970 61.674 0.296 1
1 606 . 7 1 1 A 54 54 TYR CB C 114 37.150 39.250 -2.100 1
1 609 . 7 1 1 A 54 54 TYR N N 114 123.510 122.740 0.770 1
1 610 . 7 1 1 A 55 55 HIS H H 115 10.090 7.700 2.390 1
1 611 . 7 1 1 A 55 55 HIS HA H 115 4.040 3.826 0.214 1
1 616 . 7 1 1 A 55 55 HIS C C 115 177.240 177.423 -0.183 1
1 617 . 7 1 1 A 55 55 HIS CA C 115 63.870 59.814 4.056 1
1 618 . 7 1 1 A 55 55 HIS CB C 115 29.600 29.537 0.063 1
1 621 . 7 1 1 A 55 55 HIS N N 115 124.830 116.960 7.870 1
1 624 . 7 1 1 A 56 56 LYS H H 116 8.830 8.250 0.580 1
1 625 . 7 1 1 A 56 56 LYS HA H 116 3.720 3.860 -0.140 1
1 633 . 7 1 1 A 56 56 LYS C C 116 178.140 178.940 -0.800 1
1 634 . 7 1 1 A 56 56 LYS CA C 116 60.590 59.971 0.619 1
1 635 . 7 1 1 A 56 56 LYS CB C 116 32.230 32.585 -0.355 1
1 639 . 7 1 1 A 56 56 LYS N N 116 123.340 120.453 2.887 1
1 640 . 7 1 1 A 57 57 ASN H H 117 8.140 8.041 0.099 1
1 641 . 7 1 1 A 57 57 ASN HA H 117 4.340 4.497 -0.157 1
1 646 . 7 1 1 A 57 57 ASN C C 117 177.570 177.437 0.133 1
1 647 . 7 1 1 A 57 57 ASN CA C 117 55.890 56.066 -0.176 1
1 648 . 7 1 1 A 57 57 ASN CB C 117 38.070 38.878 -0.808 1
1 649 . 7 1 1 A 57 57 ASN N N 117 116.920 118.316 -1.396 1
1 651 . 7 1 1 A 58 58 LEU H H 118 7.890 7.506 0.384 1
1 652 . 7 1 1 A 58 58 LEU HA H 118 3.930 3.958 -0.028 1
1 662 . 7 1 1 A 58 58 LEU C C 118 179.400 178.917 0.483 1
1 663 . 7 1 1 A 58 58 LEU CA C 118 58.420 57.894 0.526 1
1 664 . 7 1 1 A 58 58 LEU CB C 118 43.170 41.560 1.610 1
1 668 . 7 1 1 A 58 58 LEU N N 118 123.590 119.884 3.706 1
1 669 . 7 1 1 A 59 59 ILE H H 119 8.360 8.042 0.318 1
1 670 . 7 1 1 A 59 59 ILE HA H 119 3.470 3.891 -0.421 1
1 680 . 7 1 1 A 59 59 ILE C C 119 177.290 178.155 -0.865 1
1 681 . 7 1 1 A 59 59 ILE CA C 119 65.260 64.092 1.168 1
1 682 . 7 1 1 A 59 59 ILE CB C 119 38.330 37.913 0.417 1
1 686 . 7 1 1 A 59 59 ILE N N 119 118.630 119.126 -0.496 1
1 687 . 7 1 1 A 60 60 GLN H H 120 7.830 8.471 -0.641 1
1 688 . 7 1 1 A 60 60 GLN HA H 120 4.130 3.978 0.152 1
1 694 . 7 1 1 A 60 60 GLN C C 120 177.240 177.552 -0.312 1
1 695 . 7 1 1 A 60 60 GLN CA C 120 57.750 59.112 -1.362 1
1 696 . 7 1 1 A 60 60 GLN CB C 120 28.910 28.282 0.628 1
1 698 . 7 1 1 A 60 60 GLN N N 120 117.840 120.636 -2.796 1
1 700 . 7 1 1 A 61 61 SER H H 121 7.790 7.542 0.248 1
1 701 . 7 1 1 A 61 61 SER HA H 121 4.300 4.443 -0.143 1
1 703 . 7 1 1 A 61 61 SER C C 121 175.650 174.959 0.691 1
1 704 . 7 1 1 A 61 61 SER CA C 121 60.090 57.669 2.421 1
1 705 . 7 1 1 A 61 61 SER CB C 121 63.570 61.446 2.124 1
1 706 . 7 1 1 A 61 61 SER N N 121 115.460 113.723 1.737 1
1 707 . 7 1 1 A 62 62 VAL H H 122 8.020 8.281 -0.261 1
1 708 . 7 1 1 A 62 62 VAL HA H 122 4.020 4.225 -0.205 1
1 716 . 7 1 1 A 62 62 VAL C C 122 176.960 177.020 -0.060 1
1 717 . 7 1 1 A 62 62 VAL CA C 122 63.600 63.298 0.302 1
1 718 . 7 1 1 A 62 62 VAL CB C 122 32.300 34.468 -2.168 1
1 721 . 7 1 1 A 62 62 VAL N N 122 121.600 121.490 0.110 1
1 722 . 7 1 1 A 63 63 ARG H H 123 8.130 8.495 -0.365 1
1 723 . 7 1 1 A 63 63 ARG HA H 123 4.190 4.409 -0.219 1
1 729 . 7 1 1 A 63 63 ARG C C 123 176.490 175.800 0.690 1
1 730 . 7 1 1 A 63 63 ARG CA C 123 57.070 55.331 1.739 1
1 731 . 7 1 1 A 63 63 ARG CB C 123 30.780 30.585 0.195 1
1 734 . 7 1 1 A 63 63 ARG N N 123 122.770 118.628 4.142 1
1 735 . 7 1 1 A 64 64 ASN H H 124 8.210 7.941 0.269 1
1 736 . 7 1 1 A 64 64 ASN HA H 124 4.650 4.919 -0.269 1
1 741 . 7 1 1 A 64 64 ASN C C 124 175.310 174.471 0.839 1
1 742 . 7 1 1 A 64 64 ASN CA C 124 53.500 52.493 1.007 1
1 743 . 7 1 1 A 64 64 ASN CB C 124 38.840 39.642 -0.802 1
1 744 . 7 1 1 A 64 64 ASN N N 124 119.350 119.652 -0.302 1
1 746 . 7 1 1 A 65 65 ARG H H 125 8.100 7.327 0.773 1
1 747 . 7 1 1 A 65 65 ARG HA H 125 4.270 4.476 -0.206 1
1 752 . 7 1 1 A 65 65 ARG C C 125 176.310 176.258 0.052 1
1 753 . 7 1 1 A 65 65 ARG CA C 125 56.580 54.915 1.665 1
1 754 . 7 1 1 A 65 65 ARG CB C 125 30.810 32.085 -1.275 1
1 757 . 7 1 1 A 65 65 ARG N N 125 122.230 121.579 0.651 1
1 758 . 7 1 1 A 66 66 ARG H H 126 8.260 8.912 -0.652 1
1 759 . 7 1 1 A 66 66 ARG HA H 126 4.270 3.917 0.353 1
1 764 . 7 1 1 A 66 66 ARG C C 126 176.210 174.929 1.281 1
1 765 . 7 1 1 A 66 66 ARG CA C 126 56.190 56.931 -0.741 1
1 766 . 7 1 1 A 66 66 ARG CB C 126 30.810 28.747 2.063 1
1 769 . 7 1 1 A 66 66 ARG N N 126 122.760 122.075 0.685 1
1 770 . 7 1 1 A 67 67 LYS H H 127 8.270 7.791 0.479 1
1 771 . 7 1 1 A 67 67 LYS HA H 127 4.260 4.747 -0.487 1
1 776 . 7 1 1 A 67 67 LYS C C 127 176.450 174.490 1.960 1
1 777 . 7 1 1 A 67 67 LYS CA C 127 56.320 54.922 1.398 1
1 778 . 7 1 1 A 67 67 LYS CB C 127 33.180 35.063 -1.883 1
1 782 . 7 1 1 A 67 67 LYS N N 127 123.620 123.491 0.129 1
1 783 . 7 1 1 A 68 68 ARG H H 128 8.340 8.550 -0.210 1
1 784 . 7 1 1 A 68 68 ARG HA H 128 4.270 4.532 -0.262 1
1 788 . 7 1 1 A 68 68 ARG C C 128 176.250 177.457 -1.207 1
1 789 . 7 1 1 A 68 68 ARG CA C 128 56.130 55.242 0.888 1
1 790 . 7 1 1 A 68 68 ARG CB C 128 31.060 31.381 -0.321 1
1 793 . 7 1 1 A 68 68 ARG N N 128 123.750 119.956 3.794 1
1 794 . 7 1 1 A 69 69 LYS H H 129 8.450 8.624 -0.174 1
1 795 . 7 1 1 A 69 69 LYS HA H 129 4.250 4.641 -0.391 1
1 800 . 7 1 1 A 69 69 LYS C C 129 177.010 176.906 0.104 1
1 801 . 7 1 1 A 69 69 LYS CA C 129 57.000 56.091 0.909 1
1 802 . 7 1 1 A 69 69 LYS CB C 129 32.940 33.817 -0.877 1
1 806 . 7 1 1 A 69 69 LYS N N 129 124.580 117.828 6.752 1
1 807 . 7 1 1 A 70 70 GLY H H 130 8.500 7.759 0.741 1
1 808 . 7 1 1 A 70 70 GLY HA2 H 130 3.910 4.042 -0.132 1
1 809 . 7 1 1 A 70 70 GLY HA3 H 130 4.010 4.043 -0.033 1
1 810 . 7 1 1 A 70 70 GLY C C 130 173.360 173.934 -0.574 1
1 811 . 7 1 1 A 70 70 GLY CA C 130 45.370 45.769 -0.399 1
1 812 . 7 1 1 A 70 70 GLY N N 130 112.470 109.497 2.973 1
1 6 . 8 1 1 A 2 2 ASN HA H 62 4.610 4.981 -0.371 1
1 10 . 8 1 1 A 2 2 ASN C C 62 174.760 174.291 0.469 1
1 11 . 8 1 1 A 2 2 ASN CA C 62 53.100 52.226 0.874 1
1 12 . 8 1 1 A 2 2 ASN CB C 62 38.790 39.208 -0.418 1
1 14 . 8 1 1 A 3 3 ALA H H 63 8.300 8.731 -0.431 1
1 15 . 8 1 1 A 3 3 ALA HA H 63 4.200 4.452 -0.252 1
1 19 . 8 1 1 A 3 3 ALA C C 63 178.180 177.249 0.931 1
1 20 . 8 1 1 A 3 3 ALA CA C 63 53.070 50.854 2.216 1
1 21 . 8 1 1 A 3 3 ALA CB C 63 18.960 19.700 -0.740 1
1 22 . 8 1 1 A 3 3 ALA N N 63 125.390 125.875 -0.485 1
1 23 . 8 1 1 A 4 4 GLY H H 64 8.340 7.829 0.511 1
1 24 . 8 1 1 A 4 4 GLY HA2 H 64 3.800 4.057 -0.257 1
1 25 . 8 1 1 A 4 4 GLY HA3 H 64 3.860 4.060 -0.200 1
1 26 . 8 1 1 A 4 4 GLY C C 64 174.010 173.612 0.398 1
1 27 . 8 1 1 A 4 4 GLY CA C 64 45.350 45.724 -0.374 1
1 28 . 8 1 1 A 4 4 GLY N N 64 109.300 105.550 3.750 1
1 29 . 8 1 1 A 5 5 GLN H H 65 7.950 7.580 0.370 1
1 30 . 8 1 1 A 5 5 GLN HA H 65 4.330 4.692 -0.362 1
1 35 . 8 1 1 A 5 5 GLN C C 65 175.560 174.980 0.580 1
1 36 . 8 1 1 A 5 5 GLN CA C 65 55.400 55.137 0.263 1
1 37 . 8 1 1 A 5 5 GLN CB C 65 29.860 30.933 -1.073 1
1 39 . 8 1 1 A 5 5 GLN N N 65 119.540 118.755 0.785 1
1 41 . 8 1 1 A 6 6 LEU H H 66 8.740 8.814 -0.074 1
1 42 . 8 1 1 A 6 6 LEU HA H 66 4.610 5.146 -0.536 1
1 52 . 8 1 1 A 6 6 LEU C C 66 175.750 176.076 -0.326 1
1 53 . 8 1 1 A 6 6 LEU CA C 66 54.010 53.137 0.873 1
1 54 . 8 1 1 A 6 6 LEU CB C 66 43.490 44.347 -0.857 1
1 58 . 8 1 1 A 6 6 LEU N N 66 126.120 121.008 5.112 1
1 59 . 8 1 1 A 7 7 CYS H H 67 8.470 8.716 -0.246 1
1 60 . 8 1 1 A 7 7 CYS HA H 67 4.140 4.432 -0.292 1
1 63 . 8 1 1 A 7 7 CYS C C 67 175.320 175.852 -0.532 1
1 64 . 8 1 1 A 7 7 CYS CA C 67 60.780 59.812 0.968 1
1 65 . 8 1 1 A 7 7 CYS CB C 67 32.850 28.466 4.384 1
1 66 . 8 1 1 A 7 7 CYS N N 67 123.170 124.299 -1.129 1
1 67 . 8 1 1 A 8 8 CYS H H 68 8.170 8.732 -0.562 1
1 68 . 8 1 1 A 8 8 CYS HA H 68 4.280 4.801 -0.521 1
1 72 . 8 1 1 A 8 8 CYS C C 68 172.410 174.169 -1.759 1
1 73 . 8 1 1 A 8 8 CYS CA C 68 58.920 58.013 0.907 1
1 74 . 8 1 1 A 8 8 CYS CB C 68 28.920 27.870 1.050 1
1 75 . 8 1 1 A 8 8 CYS N N 68 124.700 122.404 2.296 1
1 76 . 8 1 1 A 9 9 LEU H H 69 8.180 7.130 1.050 1
1 77 . 8 1 1 A 9 9 LEU HA H 69 4.580 4.850 -0.270 1
1 87 . 8 1 1 A 9 9 LEU C C 69 176.770 175.460 1.310 1
1 88 . 8 1 1 A 9 9 LEU CA C 69 54.760 53.215 1.545 1
1 89 . 8 1 1 A 9 9 LEU CB C 69 43.150 45.513 -2.363 1
1 93 . 8 1 1 A 9 9 LEU N N 69 122.650 122.402 0.248 1
1 94 . 8 1 1 A 10 10 ARG H H 70 8.880 8.545 0.335 1
1 95 . 8 1 1 A 10 10 ARG HA H 70 4.770 5.005 -0.235 1
1 102 . 8 1 1 A 10 10 ARG C C 70 174.900 173.900 1.000 1
1 103 . 8 1 1 A 10 10 ARG CA C 70 54.710 54.346 0.364 1
1 104 . 8 1 1 A 10 10 ARG CB C 70 33.390 32.556 0.834 1
1 107 . 8 1 1 A 10 10 ARG N N 70 117.650 122.655 -5.005 1
1 108 . 8 1 1 A 11 11 GLU H H 71 8.640 9.071 -0.431 1
1 109 . 8 1 1 A 11 11 GLU HA H 71 5.090 4.692 0.398 1
1 113 . 8 1 1 A 11 11 GLU C C 71 176.070 175.388 0.682 1
1 114 . 8 1 1 A 11 11 GLU CA C 71 54.270 55.306 -1.036 1
1 115 . 8 1 1 A 11 11 GLU CB C 71 32.460 31.236 1.224 1
1 117 . 8 1 1 A 11 11 GLU N N 71 123.910 125.234 -1.324 1
1 118 . 8 1 1 A 12 12 ASP H H 72 9.510 9.160 0.350 1
1 119 . 8 1 1 A 12 12 ASP HA H 72 4.270 4.505 -0.235 1
1 122 . 8 1 1 A 12 12 ASP C C 72 175.890 176.348 -0.458 1
1 123 . 8 1 1 A 12 12 ASP CA C 72 55.880 55.387 0.493 1
1 124 . 8 1 1 A 12 12 ASP CB C 72 39.910 39.462 0.448 1
1 125 . 8 1 1 A 12 12 ASP N N 72 129.440 128.065 1.375 1
1 126 . 8 1 1 A 13 13 GLY H H 73 8.970 8.580 0.390 1
1 127 . 8 1 1 A 13 13 GLY HA2 H 73 3.520 3.848 -0.328 1
1 128 . 8 1 1 A 13 13 GLY HA3 H 73 4.200 3.851 0.349 1
1 129 . 8 1 1 A 13 13 GLY C C 73 173.960 173.801 0.159 1
1 130 . 8 1 1 A 13 13 GLY CA C 73 45.350 45.404 -0.054 1
1 131 . 8 1 1 A 13 13 GLY N N 73 103.500 104.302 -0.802 1
1 132 . 8 1 1 A 14 14 GLU H H 74 7.660 7.776 -0.116 1
1 133 . 8 1 1 A 14 14 GLU HA H 74 4.640 4.556 0.084 1
1 138 . 8 1 1 A 14 14 GLU C C 74 176.170 175.626 0.544 1
1 139 . 8 1 1 A 14 14 GLU CA C 74 54.460 55.360 -0.900 1
1 140 . 8 1 1 A 14 14 GLU CB C 74 32.050 31.263 0.787 1
1 142 . 8 1 1 A 14 14 GLU N N 74 121.330 120.510 0.820 1
1 143 . 8 1 1 A 15 15 ARG H H 75 9.000 8.544 0.456 1
1 144 . 8 1 1 A 15 15 ARG HA H 75 4.120 4.175 -0.055 1
1 150 . 8 1 1 A 15 15 ARG C C 75 175.230 177.204 -1.974 1
1 151 . 8 1 1 A 15 15 ARG CA C 75 56.640 56.814 -0.174 1
1 152 . 8 1 1 A 15 15 ARG CB C 75 29.720 31.485 -1.765 1
1 155 . 8 1 1 A 15 15 ARG N N 75 127.990 125.866 2.124 1
1 156 . 8 1 1 A 16 16 CYS H H 76 8.870 8.611 0.259 1
1 157 . 8 1 1 A 16 16 CYS HA H 76 4.170 4.174 -0.004 1
1 160 . 8 1 1 A 16 16 CYS CA C 76 61.840 61.797 0.043 1
1 161 . 8 1 1 A 16 16 CYS CB C 76 31.150 27.943 3.207 1
1 162 . 8 1 1 A 16 16 CYS N N 76 131.840 125.615 6.225 1
1 163 . 8 1 1 A 17 17 GLY H H 77 8.530 8.060 0.470 1
1 164 . 8 1 1 A 17 17 GLY HA2 H 77 3.680 3.960 -0.280 1
1 165 . 8 1 1 A 17 17 GLY HA3 H 77 4.340 3.978 0.362 1
1 166 . 8 1 1 A 17 17 GLY C C 77 174.620 174.309 0.311 1
1 167 . 8 1 1 A 17 17 GLY CA C 77 45.110 45.187 -0.077 1
1 168 . 8 1 1 A 17 17 GLY N N 77 111.930 108.917 3.013 1
1 169 . 8 1 1 A 18 18 ARG H H 78 8.960 7.859 1.101 1
1 170 . 8 1 1 A 18 18 ARG HA H 78 4.290 4.238 0.052 1
1 177 . 8 1 1 A 18 18 ARG C C 78 175.270 175.801 -0.531 1
1 178 . 8 1 1 A 18 18 ARG CA C 78 56.350 56.499 -0.149 1
1 179 . 8 1 1 A 18 18 ARG CB C 78 31.310 30.677 0.633 1
1 182 . 8 1 1 A 18 18 ARG N N 78 124.390 122.682 1.708 1
1 183 . 8 1 1 A 19 19 ALA H H 79 8.340 8.269 0.071 1
1 184 . 8 1 1 A 19 19 ALA HA H 79 4.170 4.471 -0.301 1
1 188 . 8 1 1 A 19 19 ALA C C 79 177.620 177.581 0.039 1
1 189 . 8 1 1 A 19 19 ALA CA C 79 52.710 52.530 0.180 1
1 190 . 8 1 1 A 19 19 ALA CB C 79 18.710 19.183 -0.473 1
1 191 . 8 1 1 A 19 19 ALA N N 79 123.880 127.864 -3.984 1
1 192 . 8 1 1 A 20 20 ALA H H 80 8.470 9.000 -0.530 1
1 193 . 8 1 1 A 20 20 ALA HA H 80 3.540 4.299 -0.759 1
1 197 . 8 1 1 A 20 20 ALA C C 80 177.560 178.131 -0.571 1
1 198 . 8 1 1 A 20 20 ALA CA C 80 52.840 52.392 0.448 1
1 199 . 8 1 1 A 20 20 ALA CB C 80 19.050 19.802 -0.752 1
1 200 . 8 1 1 A 20 20 ALA N N 80 124.580 123.185 1.395 1
1 201 . 8 1 1 A 21 21 GLY H H 81 8.090 8.766 -0.676 1
1 202 . 8 1 1 A 21 21 GLY HA2 H 81 3.800 4.263 -0.463 1
1 203 . 8 1 1 A 21 21 GLY HA3 H 81 4.430 4.289 0.141 1
1 204 . 8 1 1 A 21 21 GLY C C 81 173.170 174.718 -1.548 1
1 205 . 8 1 1 A 21 21 GLY CA C 81 44.390 44.618 -0.228 1
1 206 . 8 1 1 A 21 21 GLY N N 81 114.000 106.119 7.881 1
1 207 . 8 1 1 A 22 22 ASN H H 82 8.690 8.576 0.114 1
1 208 . 8 1 1 A 22 22 ASN HA H 82 4.650 4.977 -0.327 1
1 213 . 8 1 1 A 22 22 ASN C C 82 176.260 173.448 2.812 1
1 214 . 8 1 1 A 22 22 ASN CA C 82 53.580 53.129 0.451 1
1 215 . 8 1 1 A 22 22 ASN CB C 82 39.580 39.190 0.390 1
1 216 . 8 1 1 A 22 22 ASN N N 82 118.160 118.777 -0.617 1
1 218 . 8 1 1 A 23 23 ALA H H 83 8.720 7.674 1.046 1
1 219 . 8 1 1 A 23 23 ALA HA H 83 4.570 4.907 -0.337 1
1 223 . 8 1 1 A 23 23 ALA C C 83 175.910 175.942 -0.032 1
1 224 . 8 1 1 A 23 23 ALA CA C 83 52.340 50.383 1.957 1
1 225 . 8 1 1 A 23 23 ALA CB C 83 19.370 23.120 -3.750 1
1 226 . 8 1 1 A 23 23 ALA N N 83 125.180 122.073 3.107 1
1 227 . 8 1 1 A 24 24 SER H H 84 7.970 8.897 -0.927 1
1 228 . 8 1 1 A 24 24 SER HA H 84 5.310 5.332 -0.022 1
1 230 . 8 1 1 A 24 24 SER C C 84 174.620 173.505 1.115 1
1 231 . 8 1 1 A 24 24 SER CA C 84 56.550 55.857 0.693 1
1 232 . 8 1 1 A 24 24 SER CB C 84 66.420 65.724 0.696 1
1 233 . 8 1 1 A 24 24 SER N N 84 112.840 112.984 -0.144 1
1 234 . 8 1 1 A 25 25 PHE H H 85 9.580 8.935 0.645 1
1 235 . 8 1 1 A 25 25 PHE HA H 85 4.320 4.627 -0.307 1
1 241 . 8 1 1 A 25 25 PHE C C 85 173.430 175.145 -1.715 1
1 242 . 8 1 1 A 25 25 PHE CA C 85 57.780 59.577 -1.797 1
1 243 . 8 1 1 A 25 25 PHE CB C 85 38.780 39.539 -0.759 1
1 247 . 8 1 1 A 25 25 PHE N N 85 125.520 125.612 -0.092 1
1 248 . 8 1 1 A 26 26 SER H H 86 6.780 8.287 -1.507 1
1 249 . 8 1 1 A 26 26 SER HA H 86 4.430 4.822 -0.392 1
1 252 . 8 1 1 A 26 26 SER C C 86 174.200 174.872 -0.672 1
1 253 . 8 1 1 A 26 26 SER CA C 86 56.610 56.092 0.518 1
1 254 . 8 1 1 A 26 26 SER CB C 86 66.010 66.186 -0.176 1
1 255 . 8 1 1 A 26 26 SER N N 86 118.860 118.659 0.201 1
1 256 . 8 1 1 A 27 27 LYS H H 87 8.710 8.646 0.064 1
1 257 . 8 1 1 A 27 27 LYS HA H 87 3.850 3.801 0.049 1
1 263 . 8 1 1 A 27 27 LYS C C 87 178.490 178.801 -0.311 1
1 264 . 8 1 1 A 27 27 LYS CA C 87 59.390 59.409 -0.019 1
1 265 . 8 1 1 A 27 27 LYS CB C 87 31.970 32.749 -0.779 1
1 269 . 8 1 1 A 27 27 LYS N N 87 121.790 119.152 2.638 1
1 270 . 8 1 1 A 28 28 ARG H H 88 8.010 7.734 0.276 1
1 271 . 8 1 1 A 28 28 ARG HA H 88 3.990 4.004 -0.014 1
1 277 . 8 1 1 A 28 28 ARG C C 88 178.890 178.671 0.219 1
1 278 . 8 1 1 A 28 28 ARG CA C 88 59.010 58.828 0.182 1
1 279 . 8 1 1 A 28 28 ARG CB C 88 30.120 29.711 0.409 1
1 282 . 8 1 1 A 28 28 ARG N N 88 119.520 119.618 -0.098 1
1 283 . 8 1 1 A 29 29 ILE H H 89 7.350 7.521 -0.171 1
1 284 . 8 1 1 A 29 29 ILE HA H 89 3.680 3.602 0.078 1
1 294 . 8 1 1 A 29 29 ILE C C 89 177.620 177.698 -0.078 1
1 295 . 8 1 1 A 29 29 ILE CA C 89 63.170 65.365 -2.195 1
1 296 . 8 1 1 A 29 29 ILE CB C 89 36.900 37.745 -0.845 1
1 300 . 8 1 1 A 29 29 ILE N N 89 121.980 119.808 2.172 1
1 301 . 8 1 1 A 30 30 GLN H H 90 7.990 7.376 0.614 1
1 302 . 8 1 1 A 30 30 GLN HA H 90 3.630 3.961 -0.331 1
1 308 . 8 1 1 A 30 30 GLN C C 90 178.320 178.290 0.030 1
1 309 . 8 1 1 A 30 30 GLN CA C 90 59.200 59.073 0.127 1
1 310 . 8 1 1 A 30 30 GLN CB C 90 28.700 28.293 0.407 1
1 312 . 8 1 1 A 30 30 GLN N N 90 121.020 119.298 1.722 1
1 314 . 8 1 1 A 31 31 LYS H H 91 7.990 8.117 -0.127 1
1 315 . 8 1 1 A 31 31 LYS HA H 91 4.090 4.049 0.041 1
1 321 . 8 1 1 A 31 31 LYS C C 91 178.650 178.305 0.345 1
1 322 . 8 1 1 A 31 31 LYS CA C 91 58.720 59.257 -0.537 1
1 323 . 8 1 1 A 31 31 LYS CB C 91 32.220 32.091 0.129 1
1 327 . 8 1 1 A 31 31 LYS N N 91 119.520 120.100 -0.580 1
1 328 . 8 1 1 A 32 32 SER H H 92 7.770 8.070 -0.300 1
1 329 . 8 1 1 A 32 32 SER HA H 92 4.320 4.094 0.226 1
1 332 . 8 1 1 A 32 32 SER C C 92 176.110 177.325 -1.215 1
1 333 . 8 1 1 A 32 32 SER CA C 92 61.260 61.822 -0.562 1
1 334 . 8 1 1 A 32 32 SER CB C 92 63.610 63.359 0.251 1
1 335 . 8 1 1 A 32 32 SER N N 92 116.310 113.843 2.467 1
1 336 . 8 1 1 A 33 33 ILE H H 93 7.960 7.986 -0.026 1
1 337 . 8 1 1 A 33 33 ILE HA H 93 3.920 3.730 0.190 1
1 347 . 8 1 1 A 33 33 ILE C C 93 177.480 178.241 -0.761 1
1 348 . 8 1 1 A 33 33 ILE CA C 93 63.610 65.048 -1.438 1
1 349 . 8 1 1 A 33 33 ILE CB C 93 38.330 37.579 0.751 1
1 353 . 8 1 1 A 33 33 ILE N N 93 119.950 121.631 -1.681 1
1 354 . 8 1 1 A 34 34 SER H H 94 7.970 8.164 -0.194 1
1 355 . 8 1 1 A 34 34 SER HA H 94 4.390 4.089 0.301 1
1 357 . 8 1 1 A 34 34 SER C C 94 176.490 177.224 -0.734 1
1 358 . 8 1 1 A 34 34 SER CA C 94 60.560 61.457 -0.897 1
1 359 . 8 1 1 A 34 34 SER CB C 94 63.130 62.885 0.245 1
1 360 . 8 1 1 A 34 34 SER N N 94 117.230 116.153 1.077 1
1 361 . 8 1 1 A 35 35 GLN H H 95 8.220 8.095 0.125 1
1 362 . 8 1 1 A 35 35 GLN HA H 95 4.260 4.045 0.215 1
1 369 . 8 1 1 A 35 35 GLN C C 95 177.050 178.283 -1.233 1
1 370 . 8 1 1 A 35 35 GLN CA C 95 57.360 58.964 -1.604 1
1 371 . 8 1 1 A 35 35 GLN CB C 95 28.900 28.675 0.225 1
1 373 . 8 1 1 A 35 35 GLN N N 95 121.530 120.254 1.276 1
1 375 . 8 1 1 A 36 36 LYS H H 96 7.870 8.017 -0.147 1
1 376 . 8 1 1 A 36 36 LYS HA H 96 4.280 4.118 0.162 1
1 383 . 8 1 1 A 36 36 LYS C C 96 176.160 176.471 -0.311 1
1 384 . 8 1 1 A 36 36 LYS CA C 96 56.570 58.949 -2.379 1
1 385 . 8 1 1 A 36 36 LYS CB C 96 33.600 32.805 0.795 1
1 389 . 8 1 1 A 36 36 LYS N N 96 118.550 116.770 1.780 1
1 390 . 8 1 1 A 37 37 LYS H H 97 8.110 8.463 -0.353 1
1 391 . 8 1 1 A 37 37 LYS HA H 97 4.110 3.893 0.217 1
1 396 . 8 1 1 A 37 37 LYS C C 97 176.210 175.250 0.960 1
1 397 . 8 1 1 A 37 37 LYS CA C 97 57.230 56.984 0.246 1
1 398 . 8 1 1 A 37 37 LYS CB C 97 30.580 30.205 0.375 1
1 402 . 8 1 1 A 37 37 LYS N N 97 117.680 116.749 0.931 1
1 403 . 8 1 1 A 38 38 VAL H H 98 7.430 7.782 -0.352 1
1 404 . 8 1 1 A 38 38 VAL HA H 98 4.350 4.895 -0.545 1
1 412 . 8 1 1 A 38 38 VAL C C 98 175.830 174.929 0.901 1
1 413 . 8 1 1 A 38 38 VAL CA C 98 60.580 58.660 1.920 1
1 414 . 8 1 1 A 38 38 VAL CB C 98 33.410 35.520 -2.110 1
1 417 . 8 1 1 A 38 38 VAL N N 98 115.860 114.781 1.079 1
1 418 . 8 1 1 A 39 39 LYS H H 99 8.960 8.467 0.493 1
1 419 . 8 1 1 A 39 39 LYS HA H 99 4.430 4.441 -0.011 1
1 425 . 8 1 1 A 39 39 LYS C C 99 175.700 175.074 0.626 1
1 426 . 8 1 1 A 39 39 LYS CA C 99 55.420 56.066 -0.646 1
1 427 . 8 1 1 A 39 39 LYS CB C 99 30.580 30.701 -0.121 1
1 431 . 8 1 1 A 39 39 LYS N N 99 127.710 120.450 7.260 1
1 432 . 8 1 1 A 40 40 ILE H H 100 7.660 7.350 0.310 1
1 433 . 8 1 1 A 40 40 ILE HA H 100 5.020 4.842 0.178 1
1 443 . 8 1 1 A 40 40 ILE C C 100 174.520 174.781 -0.261 1
1 444 . 8 1 1 A 40 40 ILE CA C 100 59.370 60.557 -1.187 1
1 445 . 8 1 1 A 40 40 ILE CB C 100 40.650 39.494 1.156 1
1 449 . 8 1 1 A 40 40 ILE N N 100 123.140 123.597 -0.457 1
1 450 . 8 1 1 A 41 41 GLU H H 101 8.490 8.954 -0.464 1
1 451 . 8 1 1 A 41 41 GLU HA H 101 4.620 4.982 -0.362 1
1 456 . 8 1 1 A 41 41 GLU C C 101 173.590 174.901 -1.311 1
1 457 . 8 1 1 A 41 41 GLU CA C 101 53.740 54.373 -0.633 1
1 458 . 8 1 1 A 41 41 GLU CB C 101 34.580 33.330 1.250 1
1 460 . 8 1 1 A 41 41 GLU N N 101 123.460 124.611 -1.151 1
1 461 . 8 1 1 A 42 42 LEU H H 102 8.490 8.260 0.230 1
1 462 . 8 1 1 A 42 42 LEU HA H 102 3.790 4.239 -0.449 1
1 472 . 8 1 1 A 42 42 LEU C C 102 176.440 176.162 0.278 1
1 473 . 8 1 1 A 42 42 LEU CA C 102 55.190 55.082 0.108 1
1 474 . 8 1 1 A 42 42 LEU CB C 102 43.100 42.532 0.568 1
1 478 . 8 1 1 A 42 42 LEU N N 102 123.470 124.690 -1.220 1
1 479 . 8 1 1 A 43 43 ASP H H 103 8.770 8.454 0.316 1
1 480 . 8 1 1 A 43 43 ASP HA H 103 4.520 4.593 -0.073 1
1 483 . 8 1 1 A 43 43 ASP C C 103 177.600 176.427 1.173 1
1 484 . 8 1 1 A 43 43 ASP CA C 103 53.740 54.333 -0.593 1
1 485 . 8 1 1 A 43 43 ASP CB C 103 41.880 42.478 -0.598 1
1 486 . 8 1 1 A 43 43 ASP N N 103 127.210 125.516 1.694 1
1 487 . 8 1 1 A 44 44 LYS H H 104 8.910 9.094 -0.184 1
1 488 . 8 1 1 A 44 44 LYS HA H 104 3.920 4.231 -0.311 1
1 495 . 8 1 1 A 44 44 LYS C C 104 177.340 178.773 -1.433 1
1 496 . 8 1 1 A 44 44 LYS CA C 104 58.930 57.692 1.238 1
1 497 . 8 1 1 A 44 44 LYS CB C 104 32.000 32.519 -0.519 1
1 501 . 8 1 1 A 44 44 LYS N N 104 129.080 127.228 1.852 1
1 502 . 8 1 1 A 45 45 SER H H 105 8.740 8.168 0.572 1
1 503 . 8 1 1 A 45 45 SER HA H 105 4.370 4.169 0.201 1
1 506 . 8 1 1 A 45 45 SER C C 105 175.040 175.540 -0.500 1
1 507 . 8 1 1 A 45 45 SER CA C 105 59.150 61.375 -2.225 1
1 508 . 8 1 1 A 45 45 SER CB C 105 63.830 62.424 1.406 1
1 509 . 8 1 1 A 45 45 SER N N 105 115.270 113.151 2.119 1
1 510 . 8 1 1 A 46 46 ALA H H 106 7.430 7.352 0.078 1
1 511 . 8 1 1 A 46 46 ALA HA H 106 4.150 4.212 -0.062 1
1 515 . 8 1 1 A 46 46 ALA CA C 106 53.300 52.345 0.955 1
1 516 . 8 1 1 A 46 46 ALA CB C 106 19.190 19.798 -0.608 1
1 517 . 8 1 1 A 46 46 ALA N N 106 125.120 124.370 0.750 1
1 518 . 8 1 1 A 47 47 ARG HA H 107 4.280 4.538 -0.258 1
1 526 . 8 1 1 A 48 48 HIS HA H 108 4.650 4.649 0.001 1
1 531 . 8 1 1 A 48 48 HIS C C 108 173.160 174.060 -0.900 1
1 532 . 8 1 1 A 48 48 HIS CA C 108 54.990 55.214 -0.224 1
1 533 . 8 1 1 A 48 48 HIS CB C 108 33.400 31.811 1.589 1
1 538 . 8 1 1 A 49 49 LEU H H 109 8.030 8.753 -0.723 1
1 539 . 8 1 1 A 49 49 LEU HA H 109 5.040 4.747 0.293 1
1 549 . 8 1 1 A 49 49 LEU CA C 109 54.480 53.940 0.540 1
1 550 . 8 1 1 A 49 49 LEU CB C 109 43.010 43.053 -0.043 1
1 554 . 8 1 1 A 49 49 LEU N N 109 120.130 120.008 0.122 1
1 555 . 8 1 1 A 50 50 TYR HA H 110 5.020 5.297 -0.277 1
1 560 . 8 1 1 A 50 50 TYR C C 110 176.960 175.628 1.332 1
1 561 . 8 1 1 A 50 50 TYR CA C 110 60.340 56.821 3.519 1
1 562 . 8 1 1 A 50 50 TYR CB C 110 39.210 40.927 -1.717 1
1 565 . 8 1 1 A 51 51 ILE H H 111 8.510 8.761 -0.251 1
1 566 . 8 1 1 A 51 51 ILE HA H 111 5.960 5.005 0.955 1
1 576 . 8 1 1 A 51 51 ILE C C 111 177.900 176.080 1.820 1
1 577 . 8 1 1 A 51 51 ILE CA C 111 58.100 59.729 -1.629 1
1 578 . 8 1 1 A 51 51 ILE CB C 111 41.370 40.114 1.256 1
1 582 . 8 1 1 A 51 51 ILE N N 111 115.050 119.692 -4.642 1
1 583 . 8 1 1 A 52 52 CYS H H 112 9.830 8.773 1.057 1
1 584 . 8 1 1 A 52 52 CYS HA H 112 5.000 4.639 0.361 1
1 587 . 8 1 1 A 52 52 CYS C C 112 175.420 175.513 -0.093 1
1 588 . 8 1 1 A 52 52 CYS CA C 112 57.770 58.380 -0.610 1
1 589 . 8 1 1 A 52 52 CYS CB C 112 33.120 29.833 3.287 1
1 590 . 8 1 1 A 52 52 CYS N N 112 125.820 121.748 4.072 1
1 591 . 8 1 1 A 53 53 ASP H H 113 9.000 8.981 0.019 1
1 592 . 8 1 1 A 53 53 ASP HA H 113 4.510 4.382 0.128 1
1 594 . 8 1 1 A 53 53 ASP C C 113 178.140 177.649 0.491 1
1 595 . 8 1 1 A 53 53 ASP CA C 113 57.330 57.229 0.101 1
1 596 . 8 1 1 A 53 53 ASP CB C 113 39.730 40.580 -0.850 1
1 597 . 8 1 1 A 53 53 ASP N N 113 121.960 122.017 -0.057 1
1 598 . 8 1 1 A 54 54 TYR H H 114 8.220 8.269 -0.049 1
1 599 . 8 1 1 A 54 54 TYR HA H 114 4.100 4.128 -0.028 1
1 604 . 8 1 1 A 54 54 TYR C C 114 178.410 177.191 1.219 1
1 605 . 8 1 1 A 54 54 TYR CA C 114 61.970 61.749 0.221 1
1 606 . 8 1 1 A 54 54 TYR CB C 114 37.150 38.750 -1.600 1
1 609 . 8 1 1 A 54 54 TYR N N 114 123.510 121.631 1.879 1
1 610 . 8 1 1 A 55 55 HIS H H 115 10.090 8.241 1.849 1
1 611 . 8 1 1 A 55 55 HIS HA H 115 4.040 4.159 -0.119 1
1 616 . 8 1 1 A 55 55 HIS C C 115 177.240 177.493 -0.253 1
1 617 . 8 1 1 A 55 55 HIS CA C 115 63.870 59.844 4.026 1
1 618 . 8 1 1 A 55 55 HIS CB C 115 29.600 29.542 0.058 1
1 621 . 8 1 1 A 55 55 HIS N N 115 124.830 116.971 7.859 1
1 624 . 8 1 1 A 56 56 LYS H H 116 8.830 8.162 0.668 1
1 625 . 8 1 1 A 56 56 LYS HA H 116 3.720 3.872 -0.152 1
1 633 . 8 1 1 A 56 56 LYS C C 116 178.140 178.932 -0.792 1
1 634 . 8 1 1 A 56 56 LYS CA C 116 60.590 60.006 0.584 1
1 635 . 8 1 1 A 56 56 LYS CB C 116 32.230 32.472 -0.242 1
1 639 . 8 1 1 A 56 56 LYS N N 116 123.340 120.600 2.740 1
1 640 . 8 1 1 A 57 57 ASN H H 117 8.140 8.203 -0.063 1
1 641 . 8 1 1 A 57 57 ASN HA H 117 4.340 4.489 -0.149 1
1 646 . 8 1 1 A 57 57 ASN C C 117 177.570 177.458 0.112 1
1 647 . 8 1 1 A 57 57 ASN CA C 117 55.890 56.145 -0.255 1
1 648 . 8 1 1 A 57 57 ASN CB C 117 38.070 38.553 -0.483 1
1 649 . 8 1 1 A 57 57 ASN N N 117 116.920 118.285 -1.365 1
1 651 . 8 1 1 A 58 58 LEU H H 118 7.890 7.692 0.198 1
1 652 . 8 1 1 A 58 58 LEU HA H 118 3.930 3.929 0.001 1
1 662 . 8 1 1 A 58 58 LEU C C 118 179.400 178.890 0.510 1
1 663 . 8 1 1 A 58 58 LEU CA C 118 58.420 58.115 0.305 1
1 664 . 8 1 1 A 58 58 LEU CB C 118 43.170 41.515 1.655 1
1 668 . 8 1 1 A 58 58 LEU N N 118 123.590 119.978 3.612 1
1 669 . 8 1 1 A 59 59 ILE H H 119 8.360 8.230 0.130 1
1 670 . 8 1 1 A 59 59 ILE HA H 119 3.470 3.825 -0.355 1
1 680 . 8 1 1 A 59 59 ILE C C 119 177.290 178.220 -0.930 1
1 681 . 8 1 1 A 59 59 ILE CA C 119 65.260 64.321 0.939 1
1 682 . 8 1 1 A 59 59 ILE CB C 119 38.330 38.045 0.285 1
1 686 . 8 1 1 A 59 59 ILE N N 119 118.630 119.423 -0.793 1
1 687 . 8 1 1 A 60 60 GLN H H 120 7.830 8.295 -0.465 1
1 688 . 8 1 1 A 60 60 GLN HA H 120 4.130 4.021 0.109 1
1 694 . 8 1 1 A 60 60 GLN C C 120 177.240 176.346 0.894 1
1 695 . 8 1 1 A 60 60 GLN CA C 120 57.750 58.774 -1.024 1
1 696 . 8 1 1 A 60 60 GLN CB C 120 28.910 28.589 0.321 1
1 698 . 8 1 1 A 60 60 GLN N N 120 117.840 120.579 -2.739 1
1 700 . 8 1 1 A 61 61 SER H H 121 7.790 7.608 0.182 1
1 701 . 8 1 1 A 61 61 SER HA H 121 4.300 4.816 -0.516 1
1 703 . 8 1 1 A 61 61 SER C C 121 175.650 173.916 1.734 1
1 704 . 8 1 1 A 61 61 SER CA C 121 60.090 57.504 2.586 1
1 705 . 8 1 1 A 61 61 SER CB C 121 63.570 61.601 1.969 1
1 706 . 8 1 1 A 61 61 SER N N 121 115.460 114.158 1.302 1
1 707 . 8 1 1 A 62 62 VAL H H 122 8.020 8.520 -0.500 1
1 708 . 8 1 1 A 62 62 VAL HA H 122 4.020 4.318 -0.298 1
1 716 . 8 1 1 A 62 62 VAL C C 122 176.960 176.910 0.050 1
1 717 . 8 1 1 A 62 62 VAL CA C 122 63.600 63.265 0.335 1
1 718 . 8 1 1 A 62 62 VAL CB C 122 32.300 34.718 -2.418 1
1 721 . 8 1 1 A 62 62 VAL N N 122 121.600 124.230 -2.630 1
1 722 . 8 1 1 A 63 63 ARG H H 123 8.130 8.263 -0.133 1
1 723 . 8 1 1 A 63 63 ARG HA H 123 4.190 4.449 -0.259 1
1 729 . 8 1 1 A 63 63 ARG C C 123 176.490 174.239 2.251 1
1 730 . 8 1 1 A 63 63 ARG CA C 123 57.070 55.393 1.677 1
1 731 . 8 1 1 A 63 63 ARG CB C 123 30.780 29.955 0.825 1
1 734 . 8 1 1 A 63 63 ARG N N 123 122.770 119.368 3.402 1
1 735 . 8 1 1 A 64 64 ASN H H 124 8.210 7.822 0.388 1
1 736 . 8 1 1 A 64 64 ASN HA H 124 4.650 5.309 -0.659 1
1 741 . 8 1 1 A 64 64 ASN C C 124 175.310 173.781 1.529 1
1 742 . 8 1 1 A 64 64 ASN CA C 124 53.500 52.236 1.264 1
1 743 . 8 1 1 A 64 64 ASN CB C 124 38.840 40.104 -1.264 1
1 744 . 8 1 1 A 64 64 ASN N N 124 119.350 117.626 1.724 1
1 746 . 8 1 1 A 65 65 ARG H H 125 8.100 9.088 -0.988 1
1 747 . 8 1 1 A 65 65 ARG HA H 125 4.270 5.187 -0.917 1
1 752 . 8 1 1 A 65 65 ARG C C 125 176.310 174.705 1.605 1
1 753 . 8 1 1 A 65 65 ARG CA C 125 56.580 54.603 1.977 1
1 754 . 8 1 1 A 65 65 ARG CB C 125 30.810 32.755 -1.945 1
1 757 . 8 1 1 A 65 65 ARG N N 125 122.230 126.005 -3.775 1
1 758 . 8 1 1 A 66 66 ARG H H 126 8.260 8.512 -0.252 1
1 759 . 8 1 1 A 66 66 ARG HA H 126 4.270 4.731 -0.461 1
1 764 . 8 1 1 A 66 66 ARG C C 126 176.210 173.680 2.530 1
1 765 . 8 1 1 A 66 66 ARG CA C 126 56.190 55.643 0.547 1
1 766 . 8 1 1 A 66 66 ARG CB C 126 30.810 34.457 -3.647 1
1 769 . 8 1 1 A 66 66 ARG N N 126 122.760 126.347 -3.587 1
1 770 . 8 1 1 A 67 67 LYS H H 127 8.270 8.844 -0.574 1
1 771 . 8 1 1 A 67 67 LYS HA H 127 4.260 5.314 -1.054 1
1 776 . 8 1 1 A 67 67 LYS C C 127 176.450 174.585 1.865 1
1 777 . 8 1 1 A 67 67 LYS CA C 127 56.320 54.546 1.774 1
1 778 . 8 1 1 A 67 67 LYS CB C 127 33.180 36.251 -3.071 1
1 782 . 8 1 1 A 67 67 LYS N N 127 123.620 124.373 -0.753 1
1 783 . 8 1 1 A 68 68 ARG H H 128 8.340 8.691 -0.351 1
1 784 . 8 1 1 A 68 68 ARG HA H 128 4.270 4.747 -0.477 1
1 788 . 8 1 1 A 68 68 ARG C C 128 176.250 175.811 0.439 1
1 789 . 8 1 1 A 68 68 ARG CA C 128 56.130 54.692 1.438 1
1 790 . 8 1 1 A 68 68 ARG CB C 128 31.060 32.579 -1.519 1
1 793 . 8 1 1 A 68 68 ARG N N 128 123.750 124.976 -1.226 1
1 794 . 8 1 1 A 69 69 LYS H H 129 8.450 9.024 -0.574 1
1 795 . 8 1 1 A 69 69 LYS HA H 129 4.250 4.299 -0.049 1
1 800 . 8 1 1 A 69 69 LYS C C 129 177.010 176.862 0.148 1
1 801 . 8 1 1 A 69 69 LYS CA C 129 57.000 57.819 -0.819 1
1 802 . 8 1 1 A 69 69 LYS CB C 129 32.940 32.853 0.087 1
1 806 . 8 1 1 A 69 69 LYS N N 129 124.580 122.203 2.377 1
1 807 . 8 1 1 A 70 70 GLY H H 130 8.500 7.427 1.073 1
1 808 . 8 1 1 A 70 70 GLY HA2 H 130 3.910 4.160 -0.250 1
1 809 . 8 1 1 A 70 70 GLY HA3 H 130 4.010 4.160 -0.150 1
1 810 . 8 1 1 A 70 70 GLY C C 130 173.360 171.582 1.778 1
1 811 . 8 1 1 A 70 70 GLY CA C 130 45.370 46.065 -0.695 1
1 812 . 8 1 1 A 70 70 GLY N N 130 112.470 104.465 8.005 1
1 6 . 9 1 1 A 2 2 ASN HA H 62 4.610 5.039 -0.429 1
1 10 . 9 1 1 A 2 2 ASN C C 62 174.760 175.538 -0.778 1
1 11 . 9 1 1 A 2 2 ASN CA C 62 53.100 51.678 1.422 1
1 12 . 9 1 1 A 2 2 ASN CB C 62 38.790 37.436 1.354 1
1 14 . 9 1 1 A 3 3 ALA H H 63 8.300 8.440 -0.140 1
1 15 . 9 1 1 A 3 3 ALA HA H 63 4.200 3.790 0.410 1
1 19 . 9 1 1 A 3 3 ALA C C 63 178.180 177.605 0.575 1
1 20 . 9 1 1 A 3 3 ALA CA C 63 53.070 53.264 -0.194 1
1 21 . 9 1 1 A 3 3 ALA CB C 63 18.960 17.164 1.796 1
1 22 . 9 1 1 A 3 3 ALA N N 63 125.390 126.209 -0.819 1
1 23 . 9 1 1 A 4 4 GLY H H 64 8.340 7.702 0.638 1
1 24 . 9 1 1 A 4 4 GLY HA2 H 64 3.800 4.018 -0.218 1
1 25 . 9 1 1 A 4 4 GLY HA3 H 64 3.860 4.027 -0.167 1
1 26 . 9 1 1 A 4 4 GLY C C 64 174.010 174.261 -0.251 1
1 27 . 9 1 1 A 4 4 GLY CA C 64 45.350 45.577 -0.227 1
1 28 . 9 1 1 A 4 4 GLY N N 64 109.300 103.503 5.797 1
1 29 . 9 1 1 A 5 5 GLN H H 65 7.950 7.601 0.349 1
1 30 . 9 1 1 A 5 5 GLN HA H 65 4.330 4.330 0.000 1
1 35 . 9 1 1 A 5 5 GLN C C 65 175.560 175.067 0.493 1
1 36 . 9 1 1 A 5 5 GLN CA C 65 55.400 56.205 -0.805 1
1 37 . 9 1 1 A 5 5 GLN CB C 65 29.860 30.057 -0.197 1
1 39 . 9 1 1 A 5 5 GLN N N 65 119.540 119.787 -0.247 1
1 41 . 9 1 1 A 6 6 LEU H H 66 8.740 8.393 0.347 1
1 42 . 9 1 1 A 6 6 LEU HA H 66 4.610 4.888 -0.278 1
1 52 . 9 1 1 A 6 6 LEU C C 66 175.750 176.205 -0.455 1
1 53 . 9 1 1 A 6 6 LEU CA C 66 54.010 53.520 0.490 1
1 54 . 9 1 1 A 6 6 LEU CB C 66 43.490 44.068 -0.578 1
1 58 . 9 1 1 A 6 6 LEU N N 66 126.120 121.844 4.276 1
1 59 . 9 1 1 A 7 7 CYS H H 67 8.470 8.858 -0.388 1
1 60 . 9 1 1 A 7 7 CYS HA H 67 4.140 4.400 -0.260 1
1 63 . 9 1 1 A 7 7 CYS C C 67 175.320 176.216 -0.896 1
1 64 . 9 1 1 A 7 7 CYS CA C 67 60.780 59.977 0.803 1
1 65 . 9 1 1 A 7 7 CYS CB C 67 32.850 28.334 4.516 1
1 66 . 9 1 1 A 7 7 CYS N N 67 123.170 123.750 -0.580 1
1 67 . 9 1 1 A 8 8 CYS H H 68 8.170 8.806 -0.636 1
1 68 . 9 1 1 A 8 8 CYS HA H 68 4.280 4.774 -0.494 1
1 72 . 9 1 1 A 8 8 CYS C C 68 172.410 174.304 -1.894 1
1 73 . 9 1 1 A 8 8 CYS CA C 68 58.920 58.392 0.528 1
1 74 . 9 1 1 A 8 8 CYS CB C 68 28.920 27.425 1.495 1
1 75 . 9 1 1 A 8 8 CYS N N 68 124.700 122.963 1.737 1
1 76 . 9 1 1 A 9 9 LEU H H 69 8.180 7.203 0.977 1
1 77 . 9 1 1 A 9 9 LEU HA H 69 4.580 4.831 -0.251 1
1 87 . 9 1 1 A 9 9 LEU C C 69 176.770 176.096 0.674 1
1 88 . 9 1 1 A 9 9 LEU CA C 69 54.760 53.446 1.314 1
1 89 . 9 1 1 A 9 9 LEU CB C 69 43.150 45.883 -2.733 1
1 93 . 9 1 1 A 9 9 LEU N N 69 122.650 122.436 0.214 1
1 94 . 9 1 1 A 10 10 ARG H H 70 8.880 8.744 0.136 1
1 95 . 9 1 1 A 10 10 ARG HA H 70 4.770 5.376 -0.606 1
1 102 . 9 1 1 A 10 10 ARG C C 70 174.900 174.158 0.742 1
1 103 . 9 1 1 A 10 10 ARG CA C 70 54.710 54.151 0.559 1
1 104 . 9 1 1 A 10 10 ARG CB C 70 33.390 32.506 0.884 1
1 107 . 9 1 1 A 10 10 ARG N N 70 117.650 120.724 -3.074 1
1 108 . 9 1 1 A 11 11 GLU H H 71 8.640 9.169 -0.529 1
1 109 . 9 1 1 A 11 11 GLU HA H 71 5.090 4.960 0.130 1
1 113 . 9 1 1 A 11 11 GLU C C 71 176.070 175.634 0.436 1
1 114 . 9 1 1 A 11 11 GLU CA C 71 54.270 54.968 -0.698 1
1 115 . 9 1 1 A 11 11 GLU CB C 71 32.460 30.777 1.683 1
1 117 . 9 1 1 A 11 11 GLU N N 71 123.910 125.566 -1.656 1
1 118 . 9 1 1 A 12 12 ASP H H 72 9.510 9.023 0.487 1
1 119 . 9 1 1 A 12 12 ASP HA H 72 4.270 4.284 -0.014 1
1 122 . 9 1 1 A 12 12 ASP C C 72 175.890 175.732 0.158 1
1 123 . 9 1 1 A 12 12 ASP CA C 72 55.880 55.232 0.648 1
1 124 . 9 1 1 A 12 12 ASP CB C 72 39.910 39.944 -0.034 1
1 125 . 9 1 1 A 12 12 ASP N N 72 129.440 127.714 1.726 1
1 126 . 9 1 1 A 13 13 GLY H H 73 8.970 8.422 0.548 1
1 127 . 9 1 1 A 13 13 GLY HA2 H 73 3.520 3.834 -0.314 1
1 128 . 9 1 1 A 13 13 GLY HA3 H 73 4.200 3.837 0.363 1
1 129 . 9 1 1 A 13 13 GLY C C 73 173.960 173.601 0.359 1
1 130 . 9 1 1 A 13 13 GLY CA C 73 45.350 45.304 0.046 1
1 131 . 9 1 1 A 13 13 GLY N N 73 103.500 104.466 -0.966 1
1 132 . 9 1 1 A 14 14 GLU H H 74 7.660 7.822 -0.162 1
1 133 . 9 1 1 A 14 14 GLU HA H 74 4.640 4.550 0.090 1
1 138 . 9 1 1 A 14 14 GLU C C 74 176.170 175.345 0.825 1
1 139 . 9 1 1 A 14 14 GLU CA C 74 54.460 55.024 -0.564 1
1 140 . 9 1 1 A 14 14 GLU CB C 74 32.050 30.611 1.439 1
1 142 . 9 1 1 A 14 14 GLU N N 74 121.330 121.024 0.306 1
1 143 . 9 1 1 A 15 15 ARG H H 75 9.000 8.625 0.375 1
1 144 . 9 1 1 A 15 15 ARG HA H 75 4.120 4.475 -0.355 1
1 150 . 9 1 1 A 15 15 ARG C C 75 175.230 176.066 -0.836 1
1 151 . 9 1 1 A 15 15 ARG CA C 75 56.640 54.937 1.703 1
1 152 . 9 1 1 A 15 15 ARG CB C 75 29.720 28.643 1.077 1
1 155 . 9 1 1 A 15 15 ARG N N 75 127.990 128.724 -0.734 1
1 156 . 9 1 1 A 16 16 CYS H H 76 8.870 9.097 -0.227 1
1 157 . 9 1 1 A 16 16 CYS HA H 76 4.170 4.302 -0.132 1
1 160 . 9 1 1 A 16 16 CYS CA C 76 61.840 61.321 0.519 1
1 161 . 9 1 1 A 16 16 CYS CB C 76 31.150 27.901 3.249 1
1 162 . 9 1 1 A 16 16 CYS N N 76 131.840 125.318 6.522 1
1 163 . 9 1 1 A 17 17 GLY H H 77 8.530 7.950 0.580 1
1 164 . 9 1 1 A 17 17 GLY HA2 H 77 3.680 3.950 -0.270 1
1 165 . 9 1 1 A 17 17 GLY HA3 H 77 4.340 3.970 0.370 1
1 166 . 9 1 1 A 17 17 GLY C C 77 174.620 174.323 0.297 1
1 167 . 9 1 1 A 17 17 GLY CA C 77 45.110 45.017 0.093 1
1 168 . 9 1 1 A 17 17 GLY N N 77 111.930 108.194 3.736 1
1 169 . 9 1 1 A 18 18 ARG H H 78 8.960 7.833 1.127 1
1 170 . 9 1 1 A 18 18 ARG HA H 78 4.290 4.280 0.010 1
1 177 . 9 1 1 A 18 18 ARG C C 78 175.270 175.871 -0.601 1
1 178 . 9 1 1 A 18 18 ARG CA C 78 56.350 55.852 0.498 1
1 179 . 9 1 1 A 18 18 ARG CB C 78 31.310 31.290 0.020 1
1 182 . 9 1 1 A 18 18 ARG N N 78 124.390 122.351 2.039 1
1 183 . 9 1 1 A 19 19 ALA H H 79 8.340 8.329 0.011 1
1 184 . 9 1 1 A 19 19 ALA HA H 79 4.170 4.266 -0.096 1
1 188 . 9 1 1 A 19 19 ALA C C 79 177.620 177.372 0.248 1
1 189 . 9 1 1 A 19 19 ALA CA C 79 52.710 52.403 0.307 1
1 190 . 9 1 1 A 19 19 ALA CB C 79 18.710 19.099 -0.389 1
1 191 . 9 1 1 A 19 19 ALA N N 79 123.880 126.680 -2.800 1
1 192 . 9 1 1 A 20 20 ALA H H 80 8.470 9.130 -0.660 1
1 193 . 9 1 1 A 20 20 ALA HA H 80 3.540 4.581 -1.041 1
1 197 . 9 1 1 A 20 20 ALA C C 80 177.560 177.931 -0.371 1
1 198 . 9 1 1 A 20 20 ALA CA C 80 52.840 51.790 1.050 1
1 199 . 9 1 1 A 20 20 ALA CB C 80 19.050 19.598 -0.548 1
1 200 . 9 1 1 A 20 20 ALA N N 80 124.580 123.243 1.337 1
1 201 . 9 1 1 A 21 21 GLY H H 81 8.090 8.117 -0.027 1
1 202 . 9 1 1 A 21 21 GLY HA2 H 81 3.800 4.140 -0.340 1
1 203 . 9 1 1 A 21 21 GLY HA3 H 81 4.430 4.169 0.261 1
1 204 . 9 1 1 A 21 21 GLY C C 81 173.170 174.316 -1.146 1
1 205 . 9 1 1 A 21 21 GLY CA C 81 44.390 44.447 -0.057 1
1 206 . 9 1 1 A 21 21 GLY N N 81 114.000 107.703 6.297 1
1 207 . 9 1 1 A 22 22 ASN H H 82 8.690 8.577 0.113 1
1 208 . 9 1 1 A 22 22 ASN HA H 82 4.650 5.061 -0.411 1
1 213 . 9 1 1 A 22 22 ASN C C 82 176.260 175.051 1.209 1
1 214 . 9 1 1 A 22 22 ASN CA C 82 53.580 52.417 1.163 1
1 215 . 9 1 1 A 22 22 ASN CB C 82 39.580 38.898 0.682 1
1 216 . 9 1 1 A 22 22 ASN N N 82 118.160 120.486 -2.326 1
1 218 . 9 1 1 A 23 23 ALA H H 83 8.720 7.493 1.227 1
1 219 . 9 1 1 A 23 23 ALA HA H 83 4.570 4.969 -0.399 1
1 223 . 9 1 1 A 23 23 ALA C C 83 175.910 176.389 -0.479 1
1 224 . 9 1 1 A 23 23 ALA CA C 83 52.340 50.334 2.006 1
1 225 . 9 1 1 A 23 23 ALA CB C 83 19.370 22.851 -3.481 1
1 226 . 9 1 1 A 23 23 ALA N N 83 125.180 122.179 3.001 1
1 227 . 9 1 1 A 24 24 SER H H 84 7.970 8.869 -0.899 1
1 228 . 9 1 1 A 24 24 SER HA H 84 5.310 5.316 -0.006 1
1 230 . 9 1 1 A 24 24 SER C C 84 174.620 172.747 1.873 1
1 231 . 9 1 1 A 24 24 SER CA C 84 56.550 56.305 0.245 1
1 232 . 9 1 1 A 24 24 SER CB C 84 66.420 65.834 0.586 1
1 233 . 9 1 1 A 24 24 SER N N 84 112.840 112.766 0.074 1
1 234 . 9 1 1 A 25 25 PHE H H 85 9.580 8.989 0.591 1
1 235 . 9 1 1 A 25 25 PHE HA H 85 4.320 4.790 -0.470 1
1 241 . 9 1 1 A 25 25 PHE C C 85 173.430 174.686 -1.256 1
1 242 . 9 1 1 A 25 25 PHE CA C 85 57.780 57.413 0.367 1
1 243 . 9 1 1 A 25 25 PHE CB C 85 38.780 39.632 -0.852 1
1 247 . 9 1 1 A 25 25 PHE N N 85 125.520 124.973 0.547 1
1 248 . 9 1 1 A 26 26 SER H H 86 6.780 8.292 -1.512 1
1 249 . 9 1 1 A 26 26 SER HA H 86 4.430 4.757 -0.327 1
1 252 . 9 1 1 A 26 26 SER C C 86 174.200 174.935 -0.735 1
1 253 . 9 1 1 A 26 26 SER CA C 86 56.610 55.851 0.759 1
1 254 . 9 1 1 A 26 26 SER CB C 86 66.010 65.258 0.752 1
1 255 . 9 1 1 A 26 26 SER N N 86 118.860 118.540 0.320 1
1 256 . 9 1 1 A 27 27 LYS H H 87 8.710 8.887 -0.177 1
1 257 . 9 1 1 A 27 27 LYS HA H 87 3.850 3.824 0.026 1
1 263 . 9 1 1 A 27 27 LYS C C 87 178.490 178.863 -0.373 1
1 264 . 9 1 1 A 27 27 LYS CA C 87 59.390 59.051 0.339 1
1 265 . 9 1 1 A 27 27 LYS CB C 87 31.970 31.954 0.016 1
1 269 . 9 1 1 A 27 27 LYS N N 87 121.790 118.191 3.599 1
1 270 . 9 1 1 A 28 28 ARG H H 88 8.010 7.734 0.276 1
1 271 . 9 1 1 A 28 28 ARG HA H 88 3.990 4.008 -0.018 1
1 277 . 9 1 1 A 28 28 ARG C C 88 178.890 178.632 0.258 1
1 278 . 9 1 1 A 28 28 ARG CA C 88 59.010 58.633 0.377 1
1 279 . 9 1 1 A 28 28 ARG CB C 88 30.120 29.801 0.319 1
1 282 . 9 1 1 A 28 28 ARG N N 88 119.520 119.258 0.262 1
1 283 . 9 1 1 A 29 29 ILE H H 89 7.350 7.978 -0.628 1
1 284 . 9 1 1 A 29 29 ILE HA H 89 3.680 3.655 0.025 1
1 294 . 9 1 1 A 29 29 ILE C C 89 177.620 177.627 -0.007 1
1 295 . 9 1 1 A 29 29 ILE CA C 89 63.170 65.298 -2.128 1
1 296 . 9 1 1 A 29 29 ILE CB C 89 36.900 37.127 -0.227 1
1 300 . 9 1 1 A 29 29 ILE N N 89 121.980 119.619 2.361 1
1 301 . 9 1 1 A 30 30 GLN H H 90 7.990 7.498 0.492 1
1 302 . 9 1 1 A 30 30 GLN HA H 90 3.630 4.024 -0.394 1
1 308 . 9 1 1 A 30 30 GLN C C 90 178.320 177.780 0.540 1
1 309 . 9 1 1 A 30 30 GLN CA C 90 59.200 59.306 -0.106 1
1 310 . 9 1 1 A 30 30 GLN CB C 90 28.700 28.650 0.050 1
1 312 . 9 1 1 A 30 30 GLN N N 90 121.020 119.935 1.085 1
1 314 . 9 1 1 A 31 31 LYS H H 91 7.990 8.395 -0.405 1
1 315 . 9 1 1 A 31 31 LYS HA H 91 4.090 4.019 0.071 1
1 321 . 9 1 1 A 31 31 LYS C C 91 178.650 178.924 -0.274 1
1 322 . 9 1 1 A 31 31 LYS CA C 91 58.720 59.283 -0.563 1
1 323 . 9 1 1 A 31 31 LYS CB C 91 32.220 32.014 0.206 1
1 327 . 9 1 1 A 31 31 LYS N N 91 119.520 118.412 1.108 1
1 328 . 9 1 1 A 32 32 SER H H 92 7.770 7.886 -0.116 1
1 329 . 9 1 1 A 32 32 SER HA H 92 4.320 4.183 0.137 1
1 332 . 9 1 1 A 32 32 SER C C 92 176.110 177.464 -1.354 1
1 333 . 9 1 1 A 32 32 SER CA C 92 61.260 61.442 -0.182 1
1 334 . 9 1 1 A 32 32 SER CB C 92 63.610 62.822 0.788 1
1 335 . 9 1 1 A 32 32 SER N N 92 116.310 113.894 2.416 1
1 336 . 9 1 1 A 33 33 ILE H H 93 7.960 8.054 -0.094 1
1 337 . 9 1 1 A 33 33 ILE HA H 93 3.920 3.603 0.317 1
1 347 . 9 1 1 A 33 33 ILE C C 93 177.480 177.989 -0.509 1
1 348 . 9 1 1 A 33 33 ILE CA C 93 63.610 65.185 -1.575 1
1 349 . 9 1 1 A 33 33 ILE CB C 93 38.330 37.441 0.889 1
1 353 . 9 1 1 A 33 33 ILE N N 93 119.950 122.400 -2.450 1
1 354 . 9 1 1 A 34 34 SER H H 94 7.970 8.366 -0.396 1
1 355 . 9 1 1 A 34 34 SER HA H 94 4.390 4.083 0.307 1
1 357 . 9 1 1 A 34 34 SER C C 94 176.490 177.300 -0.810 1
1 358 . 9 1 1 A 34 34 SER CA C 94 60.560 61.263 -0.703 1
1 359 . 9 1 1 A 34 34 SER CB C 94 63.130 63.240 -0.110 1
1 360 . 9 1 1 A 34 34 SER N N 94 117.230 115.566 1.664 1
1 361 . 9 1 1 A 35 35 GLN H H 95 8.220 7.732 0.488 1
1 362 . 9 1 1 A 35 35 GLN HA H 95 4.260 3.997 0.263 1
1 369 . 9 1 1 A 35 35 GLN C C 95 177.050 178.494 -1.444 1
1 370 . 9 1 1 A 35 35 GLN CA C 95 57.360 59.137 -1.777 1
1 371 . 9 1 1 A 35 35 GLN CB C 95 28.900 28.463 0.437 1
1 373 . 9 1 1 A 35 35 GLN N N 95 121.530 120.695 0.835 1
1 375 . 9 1 1 A 36 36 LYS H H 96 7.870 7.671 0.199 1
1 376 . 9 1 1 A 36 36 LYS HA H 96 4.280 4.053 0.227 1
1 383 . 9 1 1 A 36 36 LYS C C 96 176.160 176.460 -0.300 1
1 384 . 9 1 1 A 36 36 LYS CA C 96 56.570 59.262 -2.692 1
1 385 . 9 1 1 A 36 36 LYS CB C 96 33.600 32.700 0.900 1
1 389 . 9 1 1 A 36 36 LYS N N 96 118.550 117.946 0.604 1
1 390 . 9 1 1 A 37 37 LYS H H 97 8.110 8.450 -0.340 1
1 391 . 9 1 1 A 37 37 LYS HA H 97 4.110 3.909 0.201 1
1 396 . 9 1 1 A 37 37 LYS C C 97 176.210 175.408 0.802 1
1 397 . 9 1 1 A 37 37 LYS CA C 97 57.230 56.966 0.264 1
1 398 . 9 1 1 A 37 37 LYS CB C 97 30.580 30.257 0.323 1
1 402 . 9 1 1 A 37 37 LYS N N 97 117.680 116.516 1.164 1
1 403 . 9 1 1 A 38 38 VAL H H 98 7.430 7.804 -0.374 1
1 404 . 9 1 1 A 38 38 VAL HA H 98 4.350 4.834 -0.484 1
1 412 . 9 1 1 A 38 38 VAL C C 98 175.830 174.684 1.146 1
1 413 . 9 1 1 A 38 38 VAL CA C 98 60.580 58.780 1.800 1
1 414 . 9 1 1 A 38 38 VAL CB C 98 33.410 35.751 -2.341 1
1 417 . 9 1 1 A 38 38 VAL N N 98 115.860 115.188 0.672 1
1 418 . 9 1 1 A 39 39 LYS H H 99 8.960 8.376 0.584 1
1 419 . 9 1 1 A 39 39 LYS HA H 99 4.430 4.449 -0.019 1
1 425 . 9 1 1 A 39 39 LYS C C 99 175.700 174.678 1.022 1
1 426 . 9 1 1 A 39 39 LYS CA C 99 55.420 55.991 -0.571 1
1 427 . 9 1 1 A 39 39 LYS CB C 99 30.580 30.613 -0.033 1
1 431 . 9 1 1 A 39 39 LYS N N 99 127.710 119.856 7.854 1
1 432 . 9 1 1 A 40 40 ILE H H 100 7.660 7.607 0.053 1
1 433 . 9 1 1 A 40 40 ILE HA H 100 5.020 4.913 0.107 1
1 443 . 9 1 1 A 40 40 ILE C C 100 174.520 174.925 -0.405 1
1 444 . 9 1 1 A 40 40 ILE CA C 100 59.370 60.586 -1.216 1
1 445 . 9 1 1 A 40 40 ILE CB C 100 40.650 39.841 0.809 1
1 449 . 9 1 1 A 40 40 ILE N N 100 123.140 124.456 -1.316 1
1 450 . 9 1 1 A 41 41 GLU H H 101 8.490 8.933 -0.443 1
1 451 . 9 1 1 A 41 41 GLU HA H 101 4.620 4.973 -0.353 1
1 456 . 9 1 1 A 41 41 GLU C C 101 173.590 174.660 -1.070 1
1 457 . 9 1 1 A 41 41 GLU CA C 101 53.740 54.383 -0.643 1
1 458 . 9 1 1 A 41 41 GLU CB C 101 34.580 33.459 1.121 1
1 460 . 9 1 1 A 41 41 GLU N N 101 123.460 124.586 -1.126 1
1 461 . 9 1 1 A 42 42 LEU H H 102 8.490 8.201 0.289 1
1 462 . 9 1 1 A 42 42 LEU HA H 102 3.790 4.146 -0.356 1
1 472 . 9 1 1 A 42 42 LEU C C 102 176.440 175.676 0.764 1
1 473 . 9 1 1 A 42 42 LEU CA C 102 55.190 55.300 -0.110 1
1 474 . 9 1 1 A 42 42 LEU CB C 102 43.100 42.472 0.628 1
1 478 . 9 1 1 A 42 42 LEU N N 102 123.470 125.282 -1.812 1
1 479 . 9 1 1 A 43 43 ASP H H 103 8.770 7.921 0.849 1
1 480 . 9 1 1 A 43 43 ASP HA H 103 4.520 4.633 -0.113 1
1 483 . 9 1 1 A 43 43 ASP C C 103 177.600 176.947 0.653 1
1 484 . 9 1 1 A 43 43 ASP CA C 103 53.740 52.972 0.768 1
1 485 . 9 1 1 A 43 43 ASP CB C 103 41.880 40.695 1.185 1
1 486 . 9 1 1 A 43 43 ASP N N 103 127.210 125.622 1.588 1
1 487 . 9 1 1 A 44 44 LYS H H 104 8.910 8.898 0.012 1
1 488 . 9 1 1 A 44 44 LYS HA H 104 3.920 4.161 -0.241 1
1 495 . 9 1 1 A 44 44 LYS C C 104 177.340 178.288 -0.948 1
1 496 . 9 1 1 A 44 44 LYS CA C 104 58.930 57.910 1.020 1
1 497 . 9 1 1 A 44 44 LYS CB C 104 32.000 32.165 -0.165 1
1 501 . 9 1 1 A 44 44 LYS N N 104 129.080 126.406 2.674 1
1 502 . 9 1 1 A 45 45 SER H H 105 8.740 7.874 0.866 1
1 503 . 9 1 1 A 45 45 SER HA H 105 4.370 4.364 0.006 1
1 506 . 9 1 1 A 45 45 SER C C 105 175.040 175.026 0.014 1
1 507 . 9 1 1 A 45 45 SER CA C 105 59.150 60.510 -1.360 1
1 508 . 9 1 1 A 45 45 SER CB C 105 63.830 63.717 0.113 1
1 509 . 9 1 1 A 45 45 SER N N 105 115.270 113.374 1.896 1
1 510 . 9 1 1 A 46 46 ALA H H 106 7.430 7.144 0.286 1
1 511 . 9 1 1 A 46 46 ALA HA H 106 4.150 4.322 -0.172 1
1 515 . 9 1 1 A 46 46 ALA CA C 106 53.300 51.273 2.027 1
1 516 . 9 1 1 A 46 46 ALA CB C 106 19.190 19.842 -0.652 1
1 517 . 9 1 1 A 46 46 ALA N N 106 125.120 123.094 2.026 1
1 518 . 9 1 1 A 47 47 ARG HA H 107 4.280 4.549 -0.269 1
1 526 . 9 1 1 A 48 48 HIS HA H 108 4.650 4.648 0.002 1
1 531 . 9 1 1 A 48 48 HIS C C 108 173.160 175.005 -1.845 1
1 532 . 9 1 1 A 48 48 HIS CA C 108 54.990 55.713 -0.723 1
1 533 . 9 1 1 A 48 48 HIS CB C 108 33.400 31.508 1.892 1
1 538 . 9 1 1 A 49 49 LEU H H 109 8.030 8.612 -0.582 1
1 539 . 9 1 1 A 49 49 LEU HA H 109 5.040 4.634 0.406 1
1 549 . 9 1 1 A 49 49 LEU CA C 109 54.480 53.813 0.667 1
1 550 . 9 1 1 A 49 49 LEU CB C 109 43.010 42.322 0.688 1
1 554 . 9 1 1 A 49 49 LEU N N 109 120.130 122.126 -1.996 1
1 555 . 9 1 1 A 50 50 TYR HA H 110 5.020 5.514 -0.494 1
1 560 . 9 1 1 A 50 50 TYR C C 110 176.960 175.748 1.212 1
1 561 . 9 1 1 A 50 50 TYR CA C 110 60.340 56.717 3.623 1
1 562 . 9 1 1 A 50 50 TYR CB C 110 39.210 40.924 -1.714 1
1 565 . 9 1 1 A 51 51 ILE H H 111 8.510 8.768 -0.258 1
1 566 . 9 1 1 A 51 51 ILE HA H 111 5.960 4.876 1.084 1
1 576 . 9 1 1 A 51 51 ILE C C 111 177.900 176.113 1.787 1
1 577 . 9 1 1 A 51 51 ILE CA C 111 58.100 59.733 -1.633 1
1 578 . 9 1 1 A 51 51 ILE CB C 111 41.370 39.683 1.687 1
1 582 . 9 1 1 A 51 51 ILE N N 111 115.050 120.475 -5.425 1
1 583 . 9 1 1 A 52 52 CYS H H 112 9.830 8.883 0.947 1
1 584 . 9 1 1 A 52 52 CYS HA H 112 5.000 4.811 0.189 1
1 587 . 9 1 1 A 52 52 CYS C C 112 175.420 175.383 0.037 1
1 588 . 9 1 1 A 52 52 CYS CA C 112 57.770 58.095 -0.325 1
1 589 . 9 1 1 A 52 52 CYS CB C 112 33.120 29.768 3.352 1
1 590 . 9 1 1 A 52 52 CYS N N 112 125.820 121.889 3.931 1
1 591 . 9 1 1 A 53 53 ASP H H 113 9.000 9.016 -0.016 1
1 592 . 9 1 1 A 53 53 ASP HA H 113 4.510 4.348 0.162 1
1 594 . 9 1 1 A 53 53 ASP C C 113 178.140 177.526 0.614 1
1 595 . 9 1 1 A 53 53 ASP CA C 113 57.330 57.497 -0.167 1
1 596 . 9 1 1 A 53 53 ASP CB C 113 39.730 40.553 -0.823 1
1 597 . 9 1 1 A 53 53 ASP N N 113 121.960 122.734 -0.774 1
1 598 . 9 1 1 A 54 54 TYR H H 114 8.220 8.157 0.063 1
1 599 . 9 1 1 A 54 54 TYR HA H 114 4.100 4.213 -0.113 1
1 604 . 9 1 1 A 54 54 TYR C C 114 178.410 177.241 1.169 1
1 605 . 9 1 1 A 54 54 TYR CA C 114 61.970 61.750 0.220 1
1 606 . 9 1 1 A 54 54 TYR CB C 114 37.150 39.068 -1.918 1
1 609 . 9 1 1 A 54 54 TYR N N 114 123.510 120.590 2.920 1
1 610 . 9 1 1 A 55 55 HIS H H 115 10.090 7.775 2.315 1
1 611 . 9 1 1 A 55 55 HIS HA H 115 4.040 4.238 -0.198 1
1 616 . 9 1 1 A 55 55 HIS C C 115 177.240 177.532 -0.292 1
1 617 . 9 1 1 A 55 55 HIS CA C 115 63.870 59.782 4.088 1
1 618 . 9 1 1 A 55 55 HIS CB C 115 29.600 29.473 0.127 1
1 621 . 9 1 1 A 55 55 HIS N N 115 124.830 117.005 7.825 1
1 624 . 9 1 1 A 56 56 LYS H H 116 8.830 8.320 0.510 1
1 625 . 9 1 1 A 56 56 LYS HA H 116 3.720 3.896 -0.176 1
1 633 . 9 1 1 A 56 56 LYS C C 116 178.140 178.864 -0.724 1
1 634 . 9 1 1 A 56 56 LYS CA C 116 60.590 60.068 0.522 1
1 635 . 9 1 1 A 56 56 LYS CB C 116 32.230 32.372 -0.142 1
1 639 . 9 1 1 A 56 56 LYS N N 116 123.340 120.577 2.763 1
1 640 . 9 1 1 A 57 57 ASN H H 117 8.140 8.194 -0.054 1
1 641 . 9 1 1 A 57 57 ASN HA H 117 4.340 4.489 -0.149 1
1 646 . 9 1 1 A 57 57 ASN C C 117 177.570 177.284 0.286 1
1 647 . 9 1 1 A 57 57 ASN CA C 117 55.890 56.220 -0.330 1
1 648 . 9 1 1 A 57 57 ASN CB C 117 38.070 38.711 -0.641 1
1 649 . 9 1 1 A 57 57 ASN N N 117 116.920 118.315 -1.395 1
1 651 . 9 1 1 A 58 58 LEU H H 118 7.890 7.804 0.086 1
1 652 . 9 1 1 A 58 58 LEU HA H 118 3.930 3.968 -0.038 1
1 662 . 9 1 1 A 58 58 LEU C C 118 179.400 178.815 0.585 1
1 663 . 9 1 1 A 58 58 LEU CA C 118 58.420 58.106 0.314 1
1 664 . 9 1 1 A 58 58 LEU CB C 118 43.170 41.542 1.628 1
1 668 . 9 1 1 A 58 58 LEU N N 118 123.590 120.114 3.476 1
1 669 . 9 1 1 A 59 59 ILE H H 119 8.360 7.793 0.567 1
1 670 . 9 1 1 A 59 59 ILE HA H 119 3.470 3.911 -0.441 1
1 680 . 9 1 1 A 59 59 ILE C C 119 177.290 177.954 -0.664 1
1 681 . 9 1 1 A 59 59 ILE CA C 119 65.260 64.116 1.144 1
1 682 . 9 1 1 A 59 59 ILE CB C 119 38.330 37.944 0.386 1
1 686 . 9 1 1 A 59 59 ILE N N 119 118.630 119.190 -0.560 1
1 687 . 9 1 1 A 60 60 GLN H H 120 7.830 8.458 -0.628 1
1 688 . 9 1 1 A 60 60 GLN HA H 120 4.130 4.020 0.110 1
1 694 . 9 1 1 A 60 60 GLN C C 120 177.240 177.550 -0.310 1
1 695 . 9 1 1 A 60 60 GLN CA C 120 57.750 59.002 -1.252 1
1 696 . 9 1 1 A 60 60 GLN CB C 120 28.910 28.424 0.486 1
1 698 . 9 1 1 A 60 60 GLN N N 120 117.840 120.590 -2.750 1
1 700 . 9 1 1 A 61 61 SER H H 121 7.790 7.898 -0.108 1
1 701 . 9 1 1 A 61 61 SER HA H 121 4.300 4.452 -0.152 1
1 703 . 9 1 1 A 61 61 SER C C 121 175.650 174.976 0.674 1
1 704 . 9 1 1 A 61 61 SER CA C 121 60.090 57.928 2.162 1
1 705 . 9 1 1 A 61 61 SER CB C 121 63.570 61.990 1.580 1
1 706 . 9 1 1 A 61 61 SER N N 121 115.460 113.475 1.985 1
1 707 . 9 1 1 A 62 62 VAL H H 122 8.020 7.549 0.471 1
1 708 . 9 1 1 A 62 62 VAL HA H 122 4.020 4.192 -0.172 1
1 716 . 9 1 1 A 62 62 VAL C C 122 176.960 176.553 0.407 1
1 717 . 9 1 1 A 62 62 VAL CA C 122 63.600 63.361 0.239 1
1 718 . 9 1 1 A 62 62 VAL CB C 122 32.300 33.729 -1.429 1
1 721 . 9 1 1 A 62 62 VAL N N 122 121.600 121.787 -0.187 1
1 722 . 9 1 1 A 63 63 ARG H H 123 8.130 7.830 0.300 1
1 723 . 9 1 1 A 63 63 ARG HA H 123 4.190 4.595 -0.405 1
1 729 . 9 1 1 A 63 63 ARG C C 123 176.490 175.052 1.438 1
1 730 . 9 1 1 A 63 63 ARG CA C 123 57.070 54.927 2.143 1
1 731 . 9 1 1 A 63 63 ARG CB C 123 30.780 30.657 0.123 1
1 734 . 9 1 1 A 63 63 ARG N N 123 122.770 119.197 3.573 1
1 735 . 9 1 1 A 64 64 ASN H H 124 8.210 7.587 0.623 1
1 736 . 9 1 1 A 64 64 ASN HA H 124 4.650 4.612 0.038 1
1 741 . 9 1 1 A 64 64 ASN C C 124 175.310 174.961 0.349 1
1 742 . 9 1 1 A 64 64 ASN CA C 124 53.500 53.421 0.079 1
1 743 . 9 1 1 A 64 64 ASN CB C 124 38.840 37.726 1.114 1
1 744 . 9 1 1 A 64 64 ASN N N 124 119.350 118.713 0.637 1
1 746 . 9 1 1 A 65 65 ARG H H 125 8.100 8.186 -0.086 1
1 747 . 9 1 1 A 65 65 ARG HA H 125 4.270 4.707 -0.437 1
1 752 . 9 1 1 A 65 65 ARG C C 125 176.310 175.326 0.984 1
1 753 . 9 1 1 A 65 65 ARG CA C 125 56.580 54.885 1.695 1
1 754 . 9 1 1 A 65 65 ARG CB C 125 30.810 30.550 0.260 1
1 757 . 9 1 1 A 65 65 ARG N N 125 122.230 124.705 -2.475 1
1 758 . 9 1 1 A 66 66 ARG H H 126 8.260 8.578 -0.318 1
1 759 . 9 1 1 A 66 66 ARG HA H 126 4.270 4.454 -0.184 1
1 764 . 9 1 1 A 66 66 ARG C C 126 176.210 175.763 0.447 1
1 765 . 9 1 1 A 66 66 ARG CA C 126 56.190 57.266 -1.076 1
1 766 . 9 1 1 A 66 66 ARG CB C 126 30.810 32.212 -1.402 1
1 769 . 9 1 1 A 66 66 ARG N N 126 122.760 126.225 -3.465 1
1 770 . 9 1 1 A 67 67 LYS H H 127 8.270 8.074 0.196 1
1 771 . 9 1 1 A 67 67 LYS HA H 127 4.260 4.064 0.196 1
1 776 . 9 1 1 A 67 67 LYS C C 127 176.450 176.006 0.444 1
1 777 . 9 1 1 A 67 67 LYS CA C 127 56.320 58.190 -1.870 1
1 778 . 9 1 1 A 67 67 LYS CB C 127 33.180 31.068 2.112 1
1 782 . 9 1 1 A 67 67 LYS N N 127 123.620 118.609 5.011 1
1 783 . 9 1 1 A 68 68 ARG H H 128 8.340 8.252 0.088 1
1 784 . 9 1 1 A 68 68 ARG HA H 128 4.270 4.653 -0.383 1
1 788 . 9 1 1 A 68 68 ARG C C 128 176.250 176.497 -0.247 1
1 789 . 9 1 1 A 68 68 ARG CA C 128 56.130 54.968 1.162 1
1 790 . 9 1 1 A 68 68 ARG CB C 128 31.060 32.093 -1.033 1
1 793 . 9 1 1 A 68 68 ARG N N 128 123.750 118.420 5.330 1
1 794 . 9 1 1 A 69 69 LYS H H 129 8.450 8.545 -0.095 1
1 795 . 9 1 1 A 69 69 LYS HA H 129 4.250 4.437 -0.187 1
1 800 . 9 1 1 A 69 69 LYS C C 129 177.010 175.592 1.418 1
1 801 . 9 1 1 A 69 69 LYS CA C 129 57.000 55.425 1.575 1
1 802 . 9 1 1 A 69 69 LYS CB C 129 32.940 32.505 0.435 1
1 806 . 9 1 1 A 69 69 LYS N N 129 124.580 119.734 4.846 1
1 807 . 9 1 1 A 70 70 GLY H H 130 8.500 8.061 0.439 1
1 808 . 9 1 1 A 70 70 GLY HA2 H 130 3.910 4.174 -0.264 1
1 809 . 9 1 1 A 70 70 GLY HA3 H 130 4.010 4.174 -0.164 1
1 810 . 9 1 1 A 70 70 GLY C C 130 173.360 171.609 1.751 1
1 811 . 9 1 1 A 70 70 GLY CA C 130 45.370 43.955 1.415 1
1 812 . 9 1 1 A 70 70 GLY N N 130 112.470 109.299 3.171 1
1 6 . 10 1 1 A 2 2 ASN HA H 62 4.610 4.765 -0.155 1
1 10 . 10 1 1 A 2 2 ASN C C 62 174.760 175.569 -0.809 1
1 11 . 10 1 1 A 2 2 ASN CA C 62 53.100 53.684 -0.584 1
1 12 . 10 1 1 A 2 2 ASN CB C 62 38.790 39.419 -0.629 1
1 14 . 10 1 1 A 3 3 ALA H H 63 8.300 8.614 -0.314 1
1 15 . 10 1 1 A 3 3 ALA HA H 63 4.200 3.697 0.503 1
1 19 . 10 1 1 A 3 3 ALA C C 63 178.180 177.479 0.701 1
1 20 . 10 1 1 A 3 3 ALA CA C 63 53.070 52.891 0.179 1
1 21 . 10 1 1 A 3 3 ALA CB C 63 18.960 17.235 1.725 1
1 22 . 10 1 1 A 3 3 ALA N N 63 125.390 123.624 1.766 1
1 23 . 10 1 1 A 4 4 GLY H H 64 8.340 8.162 0.178 1
1 24 . 10 1 1 A 4 4 GLY HA2 H 64 3.800 3.972 -0.172 1
1 25 . 10 1 1 A 4 4 GLY HA3 H 64 3.860 3.978 -0.118 1
1 26 . 10 1 1 A 4 4 GLY C C 64 174.010 173.408 0.602 1
1 27 . 10 1 1 A 4 4 GLY CA C 64 45.350 46.016 -0.666 1
1 28 . 10 1 1 A 4 4 GLY N N 64 109.300 104.865 4.435 1
1 29 . 10 1 1 A 5 5 GLN H H 65 7.950 7.565 0.385 1
1 30 . 10 1 1 A 5 5 GLN HA H 65 4.330 4.681 -0.351 1
1 35 . 10 1 1 A 5 5 GLN C C 65 175.560 174.784 0.776 1
1 36 . 10 1 1 A 5 5 GLN CA C 65 55.400 54.503 0.897 1
1 37 . 10 1 1 A 5 5 GLN CB C 65 29.860 31.189 -1.329 1
1 39 . 10 1 1 A 5 5 GLN N N 65 119.540 118.330 1.210 1
1 41 . 10 1 1 A 6 6 LEU H H 66 8.740 8.720 0.020 1
1 42 . 10 1 1 A 6 6 LEU HA H 66 4.610 5.022 -0.412 1
1 52 . 10 1 1 A 6 6 LEU C C 66 175.750 175.982 -0.232 1
1 53 . 10 1 1 A 6 6 LEU CA C 66 54.010 53.247 0.763 1
1 54 . 10 1 1 A 6 6 LEU CB C 66 43.490 45.566 -2.076 1
1 58 . 10 1 1 A 6 6 LEU N N 66 126.120 120.673 5.447 1
1 59 . 10 1 1 A 7 7 CYS H H 67 8.470 8.784 -0.314 1
1 60 . 10 1 1 A 7 7 CYS HA H 67 4.140 4.450 -0.310 1
1 63 . 10 1 1 A 7 7 CYS C C 67 175.320 175.887 -0.567 1
1 64 . 10 1 1 A 7 7 CYS CA C 67 60.780 59.598 1.182 1
1 65 . 10 1 1 A 7 7 CYS CB C 67 32.850 28.638 4.212 1
1 66 . 10 1 1 A 7 7 CYS N N 67 123.170 123.074 0.096 1
1 67 . 10 1 1 A 8 8 CYS H H 68 8.170 8.724 -0.554 1
1 68 . 10 1 1 A 8 8 CYS HA H 68 4.280 4.717 -0.437 1
1 72 . 10 1 1 A 8 8 CYS C C 68 172.410 174.174 -1.764 1
1 73 . 10 1 1 A 8 8 CYS CA C 68 58.920 58.199 0.721 1
1 74 . 10 1 1 A 8 8 CYS CB C 68 28.920 28.183 0.737 1
1 75 . 10 1 1 A 8 8 CYS N N 68 124.700 121.917 2.783 1
1 76 . 10 1 1 A 9 9 LEU H H 69 8.180 7.200 0.980 1
1 77 . 10 1 1 A 9 9 LEU HA H 69 4.580 4.740 -0.160 1
1 87 . 10 1 1 A 9 9 LEU C C 69 176.770 175.593 1.177 1
1 88 . 10 1 1 A 9 9 LEU CA C 69 54.760 53.124 1.636 1
1 89 . 10 1 1 A 9 9 LEU CB C 69 43.150 44.912 -1.762 1
1 93 . 10 1 1 A 9 9 LEU N N 69 122.650 122.537 0.113 1
1 94 . 10 1 1 A 10 10 ARG H H 70 8.880 8.831 0.049 1
1 95 . 10 1 1 A 10 10 ARG HA H 70 4.770 5.185 -0.415 1
1 102 . 10 1 1 A 10 10 ARG C C 70 174.900 174.001 0.899 1
1 103 . 10 1 1 A 10 10 ARG CA C 70 54.710 54.381 0.329 1
1 104 . 10 1 1 A 10 10 ARG CB C 70 33.390 33.084 0.306 1
1 107 . 10 1 1 A 10 10 ARG N N 70 117.650 121.722 -4.072 1
1 108 . 10 1 1 A 11 11 GLU H H 71 8.640 9.402 -0.762 1
1 109 . 10 1 1 A 11 11 GLU HA H 71 5.090 4.818 0.272 1
1 113 . 10 1 1 A 11 11 GLU C C 71 176.070 175.175 0.895 1
1 114 . 10 1 1 A 11 11 GLU CA C 71 54.270 55.168 -0.898 1
1 115 . 10 1 1 A 11 11 GLU CB C 71 32.460 31.583 0.877 1
1 117 . 10 1 1 A 11 11 GLU N N 71 123.910 125.014 -1.104 1
1 118 . 10 1 1 A 12 12 ASP H H 72 9.510 9.212 0.298 1
1 119 . 10 1 1 A 12 12 ASP HA H 72 4.270 4.366 -0.096 1
1 122 . 10 1 1 A 12 12 ASP C C 72 175.890 175.787 0.103 1
1 123 . 10 1 1 A 12 12 ASP CA C 72 55.880 55.256 0.624 1
1 124 . 10 1 1 A 12 12 ASP CB C 72 39.910 39.578 0.332 1
1 125 . 10 1 1 A 12 12 ASP N N 72 129.440 128.145 1.295 1
1 126 . 10 1 1 A 13 13 GLY H H 73 8.970 8.322 0.648 1
1 127 . 10 1 1 A 13 13 GLY HA2 H 73 3.520 3.860 -0.340 1
1 128 . 10 1 1 A 13 13 GLY HA3 H 73 4.200 3.864 0.336 1
1 129 . 10 1 1 A 13 13 GLY C C 73 173.960 173.684 0.276 1
1 130 . 10 1 1 A 13 13 GLY CA C 73 45.350 45.271 0.079 1
1 131 . 10 1 1 A 13 13 GLY N N 73 103.500 104.412 -0.912 1
1 132 . 10 1 1 A 14 14 GLU H H 74 7.660 7.954 -0.294 1
1 133 . 10 1 1 A 14 14 GLU HA H 74 4.640 4.471 0.169 1
1 138 . 10 1 1 A 14 14 GLU C C 74 176.170 175.789 0.381 1
1 139 . 10 1 1 A 14 14 GLU CA C 74 54.460 55.690 -1.230 1
1 140 . 10 1 1 A 14 14 GLU CB C 74 32.050 30.620 1.430 1
1 142 . 10 1 1 A 14 14 GLU N N 74 121.330 120.482 0.848 1
1 143 . 10 1 1 A 15 15 ARG H H 75 9.000 8.657 0.343 1
1 144 . 10 1 1 A 15 15 ARG HA H 75 4.120 4.384 -0.264 1
1 150 . 10 1 1 A 15 15 ARG C C 75 175.230 175.832 -0.602 1
1 151 . 10 1 1 A 15 15 ARG CA C 75 56.640 55.113 1.527 1
1 152 . 10 1 1 A 15 15 ARG CB C 75 29.720 28.723 0.997 1
1 155 . 10 1 1 A 15 15 ARG N N 75 127.990 123.462 4.528 1
1 156 . 10 1 1 A 16 16 CYS H H 76 8.870 8.739 0.131 1
1 157 . 10 1 1 A 16 16 CYS HA H 76 4.170 4.325 -0.155 1
1 160 . 10 1 1 A 16 16 CYS CA C 76 61.840 61.062 0.778 1
1 161 . 10 1 1 A 16 16 CYS CB C 76 31.150 27.978 3.172 1
1 162 . 10 1 1 A 16 16 CYS N N 76 131.840 124.442 7.398 1
1 163 . 10 1 1 A 17 17 GLY H H 77 8.530 8.080 0.450 1
1 164 . 10 1 1 A 17 17 GLY HA2 H 77 3.680 3.929 -0.249 1
1 165 . 10 1 1 A 17 17 GLY HA3 H 77 4.340 3.947 0.393 1
1 166 . 10 1 1 A 17 17 GLY C C 77 174.620 173.901 0.719 1
1 167 . 10 1 1 A 17 17 GLY CA C 77 45.110 45.113 -0.003 1
1 168 . 10 1 1 A 17 17 GLY N N 77 111.930 108.397 3.533 1
1 169 . 10 1 1 A 18 18 ARG H H 78 8.960 7.735 1.225 1
1 170 . 10 1 1 A 18 18 ARG HA H 78 4.290 4.424 -0.134 1
1 177 . 10 1 1 A 18 18 ARG C C 78 175.270 175.897 -0.627 1
1 178 . 10 1 1 A 18 18 ARG CA C 78 56.350 55.235 1.115 1
1 179 . 10 1 1 A 18 18 ARG CB C 78 31.310 31.656 -0.346 1
1 182 . 10 1 1 A 18 18 ARG N N 78 124.390 121.604 2.786 1
1 183 . 10 1 1 A 19 19 ALA H H 79 8.340 8.360 -0.020 1
1 184 . 10 1 1 A 19 19 ALA HA H 79 4.170 4.201 -0.031 1
1 188 . 10 1 1 A 19 19 ALA C C 79 177.620 177.508 0.112 1
1 189 . 10 1 1 A 19 19 ALA CA C 79 52.710 52.489 0.221 1
1 190 . 10 1 1 A 19 19 ALA CB C 79 18.710 19.178 -0.468 1
1 191 . 10 1 1 A 19 19 ALA N N 79 123.880 126.682 -2.802 1
1 192 . 10 1 1 A 20 20 ALA H H 80 8.470 8.619 -0.149 1
1 193 . 10 1 1 A 20 20 ALA HA H 80 3.540 4.655 -1.115 1
1 197 . 10 1 1 A 20 20 ALA C C 80 177.560 177.294 0.266 1
1 198 . 10 1 1 A 20 20 ALA CA C 80 52.840 51.636 1.204 1
1 199 . 10 1 1 A 20 20 ALA CB C 80 19.050 19.810 -0.760 1
1 200 . 10 1 1 A 20 20 ALA N N 80 124.580 123.098 1.482 1
1 201 . 10 1 1 A 21 21 GLY H H 81 8.090 8.278 -0.188 1
1 202 . 10 1 1 A 21 21 GLY HA2 H 81 3.800 4.091 -0.291 1
1 203 . 10 1 1 A 21 21 GLY HA3 H 81 4.430 4.123 0.307 1
1 204 . 10 1 1 A 21 21 GLY C C 81 173.170 174.600 -1.430 1
1 205 . 10 1 1 A 21 21 GLY CA C 81 44.390 45.113 -0.723 1
1 206 . 10 1 1 A 21 21 GLY N N 81 114.000 108.421 5.579 1
1 207 . 10 1 1 A 22 22 ASN H H 82 8.690 8.304 0.386 1
1 208 . 10 1 1 A 22 22 ASN HA H 82 4.650 5.128 -0.478 1
1 213 . 10 1 1 A 22 22 ASN C C 82 176.260 175.556 0.704 1
1 214 . 10 1 1 A 22 22 ASN CA C 82 53.580 54.316 -0.736 1
1 215 . 10 1 1 A 22 22 ASN CB C 82 39.580 41.573 -1.993 1
1 216 . 10 1 1 A 22 22 ASN N N 82 118.160 123.713 -5.553 1
1 218 . 10 1 1 A 23 23 ALA H H 83 8.720 7.662 1.058 1
1 219 . 10 1 1 A 23 23 ALA HA H 83 4.570 4.355 0.215 1
1 223 . 10 1 1 A 23 23 ALA C C 83 175.910 176.682 -0.772 1
1 224 . 10 1 1 A 23 23 ALA CA C 83 52.340 52.771 -0.431 1
1 225 . 10 1 1 A 23 23 ALA CB C 83 19.370 19.638 -0.268 1
1 226 . 10 1 1 A 23 23 ALA N N 83 125.180 121.361 3.819 1
1 227 . 10 1 1 A 24 24 SER H H 84 7.970 8.784 -0.814 1
1 228 . 10 1 1 A 24 24 SER HA H 84 5.310 5.084 0.226 1
1 230 . 10 1 1 A 24 24 SER C C 84 174.620 172.851 1.769 1
1 231 . 10 1 1 A 24 24 SER CA C 84 56.550 56.564 -0.014 1
1 232 . 10 1 1 A 24 24 SER CB C 84 66.420 65.964 0.456 1
1 233 . 10 1 1 A 24 24 SER N N 84 112.840 112.161 0.679 1
1 234 . 10 1 1 A 25 25 PHE H H 85 9.580 8.895 0.685 1
1 235 . 10 1 1 A 25 25 PHE HA H 85 4.320 4.474 -0.154 1
1 241 . 10 1 1 A 25 25 PHE C C 85 173.430 174.735 -1.305 1
1 242 . 10 1 1 A 25 25 PHE CA C 85 57.780 59.903 -2.123 1
1 243 . 10 1 1 A 25 25 PHE CB C 85 38.780 39.607 -0.827 1
1 247 . 10 1 1 A 25 25 PHE N N 85 125.520 125.688 -0.168 1
1 248 . 10 1 1 A 26 26 SER H H 86 6.780 8.267 -1.487 1
1 249 . 10 1 1 A 26 26 SER HA H 86 4.430 4.591 -0.161 1
1 252 . 10 1 1 A 26 26 SER C C 86 174.200 174.113 0.087 1
1 253 . 10 1 1 A 26 26 SER CA C 86 56.610 56.587 0.023 1
1 254 . 10 1 1 A 26 26 SER CB C 86 66.010 65.295 0.715 1
1 255 . 10 1 1 A 26 26 SER N N 86 118.860 119.308 -0.448 1
1 256 . 10 1 1 A 27 27 LYS H H 87 8.710 8.735 -0.025 1
1 257 . 10 1 1 A 27 27 LYS HA H 87 3.850 3.823 0.027 1
1 263 . 10 1 1 A 27 27 LYS C C 87 178.490 178.926 -0.436 1
1 264 . 10 1 1 A 27 27 LYS CA C 87 59.390 59.154 0.236 1
1 265 . 10 1 1 A 27 27 LYS CB C 87 31.970 32.622 -0.652 1
1 269 . 10 1 1 A 27 27 LYS N N 87 121.790 118.562 3.228 1
1 270 . 10 1 1 A 28 28 ARG H H 88 8.010 7.805 0.205 1
1 271 . 10 1 1 A 28 28 ARG HA H 88 3.990 3.997 -0.007 1
1 277 . 10 1 1 A 28 28 ARG C C 88 178.890 178.474 0.416 1
1 278 . 10 1 1 A 28 28 ARG CA C 88 59.010 58.703 0.307 1
1 279 . 10 1 1 A 28 28 ARG CB C 88 30.120 29.902 0.218 1
1 282 . 10 1 1 A 28 28 ARG N N 88 119.520 119.804 -0.284 1
1 283 . 10 1 1 A 29 29 ILE H H 89 7.350 7.949 -0.599 1
1 284 . 10 1 1 A 29 29 ILE HA H 89 3.680 3.678 0.002 1
1 294 . 10 1 1 A 29 29 ILE C C 89 177.620 177.674 -0.054 1
1 295 . 10 1 1 A 29 29 ILE CA C 89 63.170 65.194 -2.024 1
1 296 . 10 1 1 A 29 29 ILE CB C 89 36.900 36.837 0.063 1
1 300 . 10 1 1 A 29 29 ILE N N 89 121.980 119.520 2.460 1
1 301 . 10 1 1 A 30 30 GLN H H 90 7.990 7.537 0.453 1
1 302 . 10 1 1 A 30 30 GLN HA H 90 3.630 4.022 -0.392 1
1 308 . 10 1 1 A 30 30 GLN C C 90 178.320 178.935 -0.615 1
1 309 . 10 1 1 A 30 30 GLN CA C 90 59.200 59.152 0.048 1
1 310 . 10 1 1 A 30 30 GLN CB C 90 28.700 28.061 0.639 1
1 312 . 10 1 1 A 30 30 GLN N N 90 121.020 120.578 0.442 1
1 314 . 10 1 1 A 31 31 LYS H H 91 7.990 8.243 -0.253 1
1 315 . 10 1 1 A 31 31 LYS HA H 91 4.090 4.025 0.065 1
1 321 . 10 1 1 A 31 31 LYS C C 91 178.650 178.776 -0.126 1
1 322 . 10 1 1 A 31 31 LYS CA C 91 58.720 59.141 -0.421 1
1 323 . 10 1 1 A 31 31 LYS CB C 91 32.220 32.356 -0.136 1
1 327 . 10 1 1 A 31 31 LYS N N 91 119.520 119.535 -0.015 1
1 328 . 10 1 1 A 32 32 SER H H 92 7.770 7.981 -0.211 1
1 329 . 10 1 1 A 32 32 SER HA H 92 4.320 4.059 0.261 1
1 332 . 10 1 1 A 32 32 SER C C 92 176.110 176.083 0.027 1
1 333 . 10 1 1 A 32 32 SER CA C 92 61.260 62.712 -1.452 1
1 334 . 10 1 1 A 32 32 SER CB C 92 63.610 63.111 0.499 1
1 335 . 10 1 1 A 32 32 SER N N 92 116.310 116.352 -0.042 1
1 336 . 10 1 1 A 33 33 ILE H H 93 7.960 7.979 -0.019 1
1 337 . 10 1 1 A 33 33 ILE HA H 93 3.920 3.563 0.357 1
1 347 . 10 1 1 A 33 33 ILE C C 93 177.480 177.880 -0.400 1
1 348 . 10 1 1 A 33 33 ILE CA C 93 63.610 65.198 -1.588 1
1 349 . 10 1 1 A 33 33 ILE CB C 93 38.330 37.296 1.034 1
1 353 . 10 1 1 A 33 33 ILE N N 93 119.950 122.041 -2.091 1
1 354 . 10 1 1 A 34 34 SER H H 94 7.970 8.234 -0.264 1
1 355 . 10 1 1 A 34 34 SER HA H 94 4.390 4.047 0.343 1
1 357 . 10 1 1 A 34 34 SER C C 94 176.490 176.197 0.293 1
1 358 . 10 1 1 A 34 34 SER CA C 94 60.560 61.968 -1.408 1
1 359 . 10 1 1 A 34 34 SER CB C 94 63.130 62.733 0.397 1
1 360 . 10 1 1 A 34 34 SER N N 94 117.230 115.717 1.513 1
1 361 . 10 1 1 A 35 35 GLN H H 95 8.220 8.005 0.215 1
1 362 . 10 1 1 A 35 35 GLN HA H 95 4.260 4.030 0.230 1
1 369 . 10 1 1 A 35 35 GLN C C 95 177.050 178.162 -1.112 1
1 370 . 10 1 1 A 35 35 GLN CA C 95 57.360 58.950 -1.590 1
1 371 . 10 1 1 A 35 35 GLN CB C 95 28.900 28.462 0.438 1
1 373 . 10 1 1 A 35 35 GLN N N 95 121.530 121.394 0.136 1
1 375 . 10 1 1 A 36 36 LYS H H 96 7.870 7.462 0.408 1
1 376 . 10 1 1 A 36 36 LYS HA H 96 4.280 4.121 0.159 1
1 383 . 10 1 1 A 36 36 LYS C C 96 176.160 176.837 -0.677 1
1 384 . 10 1 1 A 36 36 LYS CA C 96 56.570 59.129 -2.559 1
1 385 . 10 1 1 A 36 36 LYS CB C 96 33.600 32.865 0.735 1
1 389 . 10 1 1 A 36 36 LYS N N 96 118.550 115.953 2.597 1
1 390 . 10 1 1 A 37 37 LYS H H 97 8.110 8.962 -0.852 1
1 391 . 10 1 1 A 37 37 LYS HA H 97 4.110 3.953 0.157 1
1 396 . 10 1 1 A 37 37 LYS C C 97 176.210 175.244 0.966 1
1 397 . 10 1 1 A 37 37 LYS CA C 97 57.230 57.172 0.058 1
1 398 . 10 1 1 A 37 37 LYS CB C 97 30.580 30.945 -0.365 1
1 402 . 10 1 1 A 37 37 LYS N N 97 117.680 119.066 -1.386 1
1 403 . 10 1 1 A 38 38 VAL H H 98 7.430 7.687 -0.257 1
1 404 . 10 1 1 A 38 38 VAL HA H 98 4.350 4.847 -0.497 1
1 412 . 10 1 1 A 38 38 VAL C C 98 175.830 175.220 0.610 1
1 413 . 10 1 1 A 38 38 VAL CA C 98 60.580 58.803 1.777 1
1 414 . 10 1 1 A 38 38 VAL CB C 98 33.410 34.652 -1.242 1
1 417 . 10 1 1 A 38 38 VAL N N 98 115.860 113.937 1.923 1
1 418 . 10 1 1 A 39 39 LYS H H 99 8.960 8.495 0.465 1
1 419 . 10 1 1 A 39 39 LYS HA H 99 4.430 4.410 0.020 1
1 425 . 10 1 1 A 39 39 LYS C C 99 175.700 174.615 1.085 1
1 426 . 10 1 1 A 39 39 LYS CA C 99 55.420 56.095 -0.675 1
1 427 . 10 1 1 A 39 39 LYS CB C 99 30.580 30.595 -0.015 1
1 431 . 10 1 1 A 39 39 LYS N N 99 127.710 119.231 8.479 1
1 432 . 10 1 1 A 40 40 ILE H H 100 7.660 7.548 0.112 1
1 433 . 10 1 1 A 40 40 ILE HA H 100 5.020 5.170 -0.150 1
1 443 . 10 1 1 A 40 40 ILE C C 100 174.520 174.827 -0.307 1
1 444 . 10 1 1 A 40 40 ILE CA C 100 59.370 60.591 -1.221 1
1 445 . 10 1 1 A 40 40 ILE CB C 100 40.650 39.807 0.843 1
1 449 . 10 1 1 A 40 40 ILE N N 100 123.140 122.076 1.064 1
1 450 . 10 1 1 A 41 41 GLU H H 101 8.490 8.970 -0.480 1
1 451 . 10 1 1 A 41 41 GLU HA H 101 4.620 4.965 -0.345 1
1 456 . 10 1 1 A 41 41 GLU C C 101 173.590 174.691 -1.101 1
1 457 . 10 1 1 A 41 41 GLU CA C 101 53.740 54.424 -0.684 1
1 458 . 10 1 1 A 41 41 GLU CB C 101 34.580 33.488 1.092 1
1 460 . 10 1 1 A 41 41 GLU N N 101 123.460 124.631 -1.171 1
1 461 . 10 1 1 A 42 42 LEU H H 102 8.490 8.285 0.205 1
1 462 . 10 1 1 A 42 42 LEU HA H 102 3.790 4.148 -0.358 1
1 472 . 10 1 1 A 42 42 LEU C C 102 176.440 175.218 1.222 1
1 473 . 10 1 1 A 42 42 LEU CA C 102 55.190 55.909 -0.719 1
1 474 . 10 1 1 A 42 42 LEU CB C 102 43.100 42.454 0.646 1
1 478 . 10 1 1 A 42 42 LEU N N 102 123.470 124.976 -1.506 1
1 479 . 10 1 1 A 43 43 ASP H H 103 8.770 8.303 0.467 1
1 480 . 10 1 1 A 43 43 ASP HA H 103 4.520 4.909 -0.389 1
1 483 . 10 1 1 A 43 43 ASP C C 103 177.600 176.409 1.191 1
1 484 . 10 1 1 A 43 43 ASP CA C 103 53.740 53.495 0.245 1
1 485 . 10 1 1 A 43 43 ASP CB C 103 41.880 43.175 -1.295 1
1 486 . 10 1 1 A 43 43 ASP N N 103 127.210 125.990 1.220 1
1 487 . 10 1 1 A 44 44 LYS H H 104 8.910 9.113 -0.203 1
1 488 . 10 1 1 A 44 44 LYS HA H 104 3.920 4.274 -0.354 1
1 495 . 10 1 1 A 44 44 LYS C C 104 177.340 178.356 -1.016 1
1 496 . 10 1 1 A 44 44 LYS CA C 104 58.930 57.463 1.467 1
1 497 . 10 1 1 A 44 44 LYS CB C 104 32.000 32.458 -0.458 1
1 501 . 10 1 1 A 44 44 LYS N N 104 129.080 127.012 2.068 1
1 502 . 10 1 1 A 45 45 SER H H 105 8.740 7.598 1.142 1
1 503 . 10 1 1 A 45 45 SER HA H 105 4.370 4.245 0.125 1
1 506 . 10 1 1 A 45 45 SER C C 105 175.040 175.389 -0.349 1
1 507 . 10 1 1 A 45 45 SER CA C 105 59.150 61.056 -1.906 1
1 508 . 10 1 1 A 45 45 SER CB C 105 63.830 62.502 1.328 1
1 509 . 10 1 1 A 45 45 SER N N 105 115.270 112.754 2.516 1
1 510 . 10 1 1 A 46 46 ALA H H 106 7.430 7.445 -0.015 1
1 511 . 10 1 1 A 46 46 ALA HA H 106 4.150 4.208 -0.058 1
1 515 . 10 1 1 A 46 46 ALA CA C 106 53.300 52.112 1.188 1
1 516 . 10 1 1 A 46 46 ALA CB C 106 19.190 19.866 -0.676 1
1 517 . 10 1 1 A 46 46 ALA N N 106 125.120 125.314 -0.194 1
1 518 . 10 1 1 A 47 47 ARG HA H 107 4.280 4.628 -0.348 1
1 526 . 10 1 1 A 48 48 HIS HA H 108 4.650 4.656 -0.006 1
1 531 . 10 1 1 A 48 48 HIS C C 108 173.160 174.930 -1.770 1
1 532 . 10 1 1 A 48 48 HIS CA C 108 54.990 55.667 -0.677 1
1 533 . 10 1 1 A 48 48 HIS CB C 108 33.400 31.167 2.233 1
1 538 . 10 1 1 A 49 49 LEU H H 109 8.030 8.868 -0.838 1
1 539 . 10 1 1 A 49 49 LEU HA H 109 5.040 4.615 0.425 1
1 549 . 10 1 1 A 49 49 LEU CA C 109 54.480 53.893 0.587 1
1 550 . 10 1 1 A 49 49 LEU CB C 109 43.010 41.314 1.696 1
1 554 . 10 1 1 A 49 49 LEU N N 109 120.130 122.157 -2.027 1
1 555 . 10 1 1 A 50 50 TYR HA H 110 5.020 5.251 -0.231 1
1 560 . 10 1 1 A 50 50 TYR C C 110 176.960 175.600 1.360 1
1 561 . 10 1 1 A 50 50 TYR CA C 110 60.340 56.816 3.524 1
1 562 . 10 1 1 A 50 50 TYR CB C 110 39.210 42.064 -2.854 1
1 565 . 10 1 1 A 51 51 ILE H H 111 8.510 8.570 -0.060 1
1 566 . 10 1 1 A 51 51 ILE HA H 111 5.960 5.091 0.869 1
1 576 . 10 1 1 A 51 51 ILE C C 111 177.900 176.140 1.760 1
1 577 . 10 1 1 A 51 51 ILE CA C 111 58.100 59.169 -1.069 1
1 578 . 10 1 1 A 51 51 ILE CB C 111 41.370 40.633 0.737 1
1 582 . 10 1 1 A 51 51 ILE N N 111 115.050 118.873 -3.823 1
1 583 . 10 1 1 A 52 52 CYS H H 112 9.830 8.846 0.984 1
1 584 . 10 1 1 A 52 52 CYS HA H 112 5.000 4.890 0.110 1
1 587 . 10 1 1 A 52 52 CYS C C 112 175.420 175.781 -0.361 1
1 588 . 10 1 1 A 52 52 CYS CA C 112 57.770 57.567 0.203 1
1 589 . 10 1 1 A 52 52 CYS CB C 112 33.120 30.179 2.941 1
1 590 . 10 1 1 A 52 52 CYS N N 112 125.820 121.955 3.865 1
1 591 . 10 1 1 A 53 53 ASP H H 113 9.000 8.962 0.038 1
1 592 . 10 1 1 A 53 53 ASP HA H 113 4.510 4.354 0.156 1
1 594 . 10 1 1 A 53 53 ASP C C 113 178.140 178.176 -0.036 1
1 595 . 10 1 1 A 53 53 ASP CA C 113 57.330 57.375 -0.045 1
1 596 . 10 1 1 A 53 53 ASP CB C 113 39.730 40.374 -0.644 1
1 597 . 10 1 1 A 53 53 ASP N N 113 121.960 120.661 1.299 1
1 598 . 10 1 1 A 54 54 TYR H H 114 8.220 8.112 0.108 1
1 599 . 10 1 1 A 54 54 TYR HA H 114 4.100 4.220 -0.120 1
1 604 . 10 1 1 A 54 54 TYR C C 114 178.410 177.299 1.111 1
1 605 . 10 1 1 A 54 54 TYR CA C 114 61.970 61.658 0.312 1
1 606 . 10 1 1 A 54 54 TYR CB C 114 37.150 39.125 -1.975 1
1 609 . 10 1 1 A 54 54 TYR N N 114 123.510 122.643 0.867 1
1 610 . 10 1 1 A 55 55 HIS H H 115 10.090 7.773 2.317 1
1 611 . 10 1 1 A 55 55 HIS HA H 115 4.040 4.213 -0.173 1
1 616 . 10 1 1 A 55 55 HIS C C 115 177.240 177.546 -0.306 1
1 617 . 10 1 1 A 55 55 HIS CA C 115 63.870 59.859 4.011 1
1 618 . 10 1 1 A 55 55 HIS CB C 115 29.600 29.751 -0.151 1
1 621 . 10 1 1 A 55 55 HIS N N 115 124.830 116.967 7.863 1
1 624 . 10 1 1 A 56 56 LYS H H 116 8.830 8.409 0.421 1
1 625 . 10 1 1 A 56 56 LYS HA H 116 3.720 3.882 -0.162 1
1 633 . 10 1 1 A 56 56 LYS C C 116 178.140 178.838 -0.698 1
1 634 . 10 1 1 A 56 56 LYS CA C 116 60.590 60.014 0.576 1
1 635 . 10 1 1 A 56 56 LYS CB C 116 32.230 32.576 -0.346 1
1 639 . 10 1 1 A 56 56 LYS N N 116 123.340 120.641 2.699 1
1 640 . 10 1 1 A 57 57 ASN H H 117 8.140 8.232 -0.092 1
1 641 . 10 1 1 A 57 57 ASN HA H 117 4.340 4.491 -0.151 1
1 646 . 10 1 1 A 57 57 ASN C C 117 177.570 177.301 0.269 1
1 647 . 10 1 1 A 57 57 ASN CA C 117 55.890 56.609 -0.719 1
1 648 . 10 1 1 A 57 57 ASN CB C 117 38.070 38.870 -0.800 1
1 649 . 10 1 1 A 57 57 ASN N N 117 116.920 118.416 -1.496 1
1 651 . 10 1 1 A 58 58 LEU H H 118 7.890 7.970 -0.080 1
1 652 . 10 1 1 A 58 58 LEU HA H 118 3.930 3.943 -0.013 1
1 662 . 10 1 1 A 58 58 LEU C C 118 179.400 178.571 0.829 1
1 663 . 10 1 1 A 58 58 LEU CA C 118 58.420 58.443 -0.023 1
1 664 . 10 1 1 A 58 58 LEU CB C 118 43.170 41.369 1.801 1
1 668 . 10 1 1 A 58 58 LEU N N 118 123.590 120.238 3.352 1
1 669 . 10 1 1 A 59 59 ILE H H 119 8.360 8.297 0.063 1
1 670 . 10 1 1 A 59 59 ILE HA H 119 3.470 3.790 -0.320 1
1 680 . 10 1 1 A 59 59 ILE C C 119 177.290 178.445 -1.155 1
1 681 . 10 1 1 A 59 59 ILE CA C 119 65.260 64.259 1.001 1
1 682 . 10 1 1 A 59 59 ILE CB C 119 38.330 37.531 0.799 1
1 686 . 10 1 1 A 59 59 ILE N N 119 118.630 119.260 -0.630 1
1 687 . 10 1 1 A 60 60 GLN H H 120 7.830 8.166 -0.336 1
1 688 . 10 1 1 A 60 60 GLN HA H 120 4.130 4.037 0.093 1
1 694 . 10 1 1 A 60 60 GLN C C 120 177.240 177.167 0.073 1
1 695 . 10 1 1 A 60 60 GLN CA C 120 57.750 58.666 -0.916 1
1 696 . 10 1 1 A 60 60 GLN CB C 120 28.910 28.734 0.176 1
1 698 . 10 1 1 A 60 60 GLN N N 120 117.840 120.692 -2.852 1
1 700 . 10 1 1 A 61 61 SER H H 121 7.790 7.707 0.083 1
1 701 . 10 1 1 A 61 61 SER HA H 121 4.300 4.801 -0.501 1
1 703 . 10 1 1 A 61 61 SER C C 121 175.650 174.540 1.110 1
1 704 . 10 1 1 A 61 61 SER CA C 121 60.090 57.514 2.576 1
1 705 . 10 1 1 A 61 61 SER CB C 121 63.570 62.434 1.136 1
1 706 . 10 1 1 A 61 61 SER N N 121 115.460 112.350 3.110 1
1 707 . 10 1 1 A 62 62 VAL H H 122 8.020 7.846 0.174 1
1 708 . 10 1 1 A 62 62 VAL HA H 122 4.020 4.229 -0.209 1
1 716 . 10 1 1 A 62 62 VAL C C 122 176.960 175.593 1.367 1
1 717 . 10 1 1 A 62 62 VAL CA C 122 63.600 63.243 0.357 1
1 718 . 10 1 1 A 62 62 VAL CB C 122 32.300 34.508 -2.208 1
1 721 . 10 1 1 A 62 62 VAL N N 122 121.600 119.821 1.779 1
1 722 . 10 1 1 A 63 63 ARG H H 123 8.130 8.216 -0.086 1
1 723 . 10 1 1 A 63 63 ARG HA H 123 4.190 4.437 -0.247 1
1 729 . 10 1 1 A 63 63 ARG C C 123 176.490 176.059 0.431 1
1 730 . 10 1 1 A 63 63 ARG CA C 123 57.070 54.360 2.710 1
1 731 . 10 1 1 A 63 63 ARG CB C 123 30.780 29.800 0.980 1
1 734 . 10 1 1 A 63 63 ARG N N 123 122.770 119.999 2.771 1
1 735 . 10 1 1 A 64 64 ASN H H 124 8.210 8.466 -0.256 1
1 736 . 10 1 1 A 64 64 ASN HA H 124 4.650 4.984 -0.334 1
1 741 . 10 1 1 A 64 64 ASN C C 124 175.310 174.578 0.732 1
1 742 . 10 1 1 A 64 64 ASN CA C 124 53.500 52.292 1.208 1
1 743 . 10 1 1 A 64 64 ASN CB C 124 38.840 39.016 -0.176 1
1 744 . 10 1 1 A 64 64 ASN N N 124 119.350 118.944 0.406 1
1 746 . 10 1 1 A 65 65 ARG H H 125 8.100 7.509 0.591 1
1 747 . 10 1 1 A 65 65 ARG HA H 125 4.270 4.679 -0.409 1
1 752 . 10 1 1 A 65 65 ARG C C 125 176.310 176.003 0.307 1
1 753 . 10 1 1 A 65 65 ARG CA C 125 56.580 54.536 2.044 1
1 754 . 10 1 1 A 65 65 ARG CB C 125 30.810 31.019 -0.209 1
1 757 . 10 1 1 A 65 65 ARG N N 125 122.230 119.745 2.485 1
1 758 . 10 1 1 A 66 66 ARG H H 126 8.260 8.653 -0.393 1
1 759 . 10 1 1 A 66 66 ARG HA H 126 4.270 4.020 0.250 1
1 764 . 10 1 1 A 66 66 ARG C C 126 176.210 175.882 0.328 1
1 765 . 10 1 1 A 66 66 ARG CA C 126 56.190 58.957 -2.767 1
1 766 . 10 1 1 A 66 66 ARG CB C 126 30.810 29.640 1.170 1
1 769 . 10 1 1 A 66 66 ARG N N 126 122.760 126.882 -4.122 1
1 770 . 10 1 1 A 67 67 LYS H H 127 8.270 8.047 0.223 1
1 771 . 10 1 1 A 67 67 LYS HA H 127 4.260 3.964 0.296 1
1 776 . 10 1 1 A 67 67 LYS C C 127 176.450 175.416 1.034 1
1 777 . 10 1 1 A 67 67 LYS CA C 127 56.320 57.083 -0.763 1
1 778 . 10 1 1 A 67 67 LYS CB C 127 33.180 30.956 2.224 1
1 782 . 10 1 1 A 67 67 LYS N N 127 123.620 117.513 6.107 1
1 783 . 10 1 1 A 68 68 ARG H H 128 8.340 7.568 0.772 1
1 784 . 10 1 1 A 68 68 ARG HA H 128 4.270 4.857 -0.587 1
1 788 . 10 1 1 A 68 68 ARG C C 128 176.250 174.414 1.836 1
1 789 . 10 1 1 A 68 68 ARG CA C 128 56.130 55.087 1.043 1
1 790 . 10 1 1 A 68 68 ARG CB C 128 31.060 32.079 -1.019 1
1 793 . 10 1 1 A 68 68 ARG N N 128 123.750 116.508 7.242 1
1 794 . 10 1 1 A 69 69 LYS H H 129 8.450 8.455 -0.005 1
1 795 . 10 1 1 A 69 69 LYS HA H 129 4.250 4.576 -0.326 1
1 800 . 10 1 1 A 69 69 LYS C C 129 177.010 176.352 0.658 1
1 801 . 10 1 1 A 69 69 LYS CA C 129 57.000 57.302 -0.302 1
1 802 . 10 1 1 A 69 69 LYS CB C 129 32.940 34.620 -1.680 1
1 806 . 10 1 1 A 69 69 LYS N N 129 124.580 118.647 5.933 1
1 807 . 10 1 1 A 70 70 GLY H H 130 8.500 7.551 0.949 1
1 808 . 10 1 1 A 70 70 GLY HA2 H 130 3.910 4.125 -0.215 1
1 809 . 10 1 1 A 70 70 GLY HA3 H 130 4.010 4.125 -0.115 1
1 810 . 10 1 1 A 70 70 GLY C C 130 173.360 172.360 1.000 1
1 811 . 10 1 1 A 70 70 GLY CA C 130 45.370 44.204 1.166 1
1 812 . 10 1 1 A 70 70 GLY N N 130 112.470 104.950 7.520 1
1 6 . 11 1 1 A 2 2 ASN HA H 62 4.610 5.114 -0.504 1
1 10 . 11 1 1 A 2 2 ASN C C 62 174.760 174.431 0.329 1
1 11 . 11 1 1 A 2 2 ASN CA C 62 53.100 52.170 0.930 1
1 12 . 11 1 1 A 2 2 ASN CB C 62 38.790 41.184 -2.394 1
1 14 . 11 1 1 A 3 3 ALA H H 63 8.300 8.532 -0.232 1
1 15 . 11 1 1 A 3 3 ALA HA H 63 4.200 3.781 0.419 1
1 19 . 11 1 1 A 3 3 ALA C C 63 178.180 177.372 0.808 1
1 20 . 11 1 1 A 3 3 ALA CA C 63 53.070 53.272 -0.202 1
1 21 . 11 1 1 A 3 3 ALA CB C 63 18.960 17.492 1.468 1
1 22 . 11 1 1 A 3 3 ALA N N 63 125.390 126.497 -1.107 1
1 23 . 11 1 1 A 4 4 GLY H H 64 8.340 8.099 0.241 1
1 24 . 11 1 1 A 4 4 GLY HA2 H 64 3.800 3.821 -0.021 1
1 25 . 11 1 1 A 4 4 GLY HA3 H 64 3.860 3.824 0.036 1
1 26 . 11 1 1 A 4 4 GLY C C 64 174.010 173.797 0.213 1
1 27 . 11 1 1 A 4 4 GLY CA C 64 45.350 46.384 -1.034 1
1 28 . 11 1 1 A 4 4 GLY N N 64 109.300 104.849 4.451 1
1 29 . 11 1 1 A 5 5 GLN H H 65 7.950 7.591 0.359 1
1 30 . 11 1 1 A 5 5 GLN HA H 65 4.330 4.889 -0.559 1
1 35 . 11 1 1 A 5 5 GLN C C 65 175.560 174.330 1.230 1
1 36 . 11 1 1 A 5 5 GLN CA C 65 55.400 53.890 1.510 1
1 37 . 11 1 1 A 5 5 GLN CB C 65 29.860 32.641 -2.781 1
1 39 . 11 1 1 A 5 5 GLN N N 65 119.540 117.159 2.381 1
1 41 . 11 1 1 A 6 6 LEU H H 66 8.740 8.928 -0.188 1
1 42 . 11 1 1 A 6 6 LEU HA H 66 4.610 4.983 -0.373 1
1 52 . 11 1 1 A 6 6 LEU C C 66 175.750 175.982 -0.232 1
1 53 . 11 1 1 A 6 6 LEU CA C 66 54.010 53.587 0.423 1
1 54 . 11 1 1 A 6 6 LEU CB C 66 43.490 43.675 -0.185 1
1 58 . 11 1 1 A 6 6 LEU N N 66 126.120 121.239 4.881 1
1 59 . 11 1 1 A 7 7 CYS H H 67 8.470 8.767 -0.297 1
1 60 . 11 1 1 A 7 7 CYS HA H 67 4.140 4.599 -0.459 1
1 63 . 11 1 1 A 7 7 CYS C C 67 175.320 176.382 -1.062 1
1 64 . 11 1 1 A 7 7 CYS CA C 67 60.780 60.137 0.643 1
1 65 . 11 1 1 A 7 7 CYS CB C 67 32.850 28.236 4.614 1
1 66 . 11 1 1 A 7 7 CYS N N 67 123.170 121.109 2.061 1
1 67 . 11 1 1 A 8 8 CYS H H 68 8.170 8.743 -0.573 1
1 68 . 11 1 1 A 8 8 CYS HA H 68 4.280 4.693 -0.413 1
1 72 . 11 1 1 A 8 8 CYS C C 68 172.410 174.199 -1.789 1
1 73 . 11 1 1 A 8 8 CYS CA C 68 58.920 58.386 0.534 1
1 74 . 11 1 1 A 8 8 CYS CB C 68 28.920 27.417 1.503 1
1 75 . 11 1 1 A 8 8 CYS N N 68 124.700 123.529 1.171 1
1 76 . 11 1 1 A 9 9 LEU H H 69 8.180 7.603 0.577 1
1 77 . 11 1 1 A 9 9 LEU HA H 69 4.580 4.749 -0.169 1
1 87 . 11 1 1 A 9 9 LEU C C 69 176.770 176.107 0.663 1
1 88 . 11 1 1 A 9 9 LEU CA C 69 54.760 53.099 1.661 1
1 89 . 11 1 1 A 9 9 LEU CB C 69 43.150 45.513 -2.363 1
1 93 . 11 1 1 A 9 9 LEU N N 69 122.650 122.438 0.212 1
1 94 . 11 1 1 A 10 10 ARG H H 70 8.880 8.688 0.192 1
1 95 . 11 1 1 A 10 10 ARG HA H 70 4.770 5.306 -0.536 1
1 102 . 11 1 1 A 10 10 ARG C C 70 174.900 174.569 0.331 1
1 103 . 11 1 1 A 10 10 ARG CA C 70 54.710 54.489 0.221 1
1 104 . 11 1 1 A 10 10 ARG CB C 70 33.390 31.868 1.522 1
1 107 . 11 1 1 A 10 10 ARG N N 70 117.650 120.581 -2.931 1
1 108 . 11 1 1 A 11 11 GLU H H 71 8.640 8.797 -0.157 1
1 109 . 11 1 1 A 11 11 GLU HA H 71 5.090 4.709 0.381 1
1 113 . 11 1 1 A 11 11 GLU C C 71 176.070 175.699 0.371 1
1 114 . 11 1 1 A 11 11 GLU CA C 71 54.270 55.407 -1.137 1
1 115 . 11 1 1 A 11 11 GLU CB C 71 32.460 30.791 1.669 1
1 117 . 11 1 1 A 11 11 GLU N N 71 123.910 126.098 -2.188 1
1 118 . 11 1 1 A 12 12 ASP H H 72 9.510 9.039 0.471 1
1 119 . 11 1 1 A 12 12 ASP HA H 72 4.270 4.435 -0.165 1
1 122 . 11 1 1 A 12 12 ASP C C 72 175.890 176.195 -0.305 1
1 123 . 11 1 1 A 12 12 ASP CA C 72 55.880 55.354 0.526 1
1 124 . 11 1 1 A 12 12 ASP CB C 72 39.910 39.717 0.193 1
1 125 . 11 1 1 A 12 12 ASP N N 72 129.440 128.208 1.232 1
1 126 . 11 1 1 A 13 13 GLY H H 73 8.970 8.504 0.466 1
1 127 . 11 1 1 A 13 13 GLY HA2 H 73 3.520 3.860 -0.340 1
1 128 . 11 1 1 A 13 13 GLY HA3 H 73 4.200 3.864 0.336 1
1 129 . 11 1 1 A 13 13 GLY C C 73 173.960 173.856 0.104 1
1 130 . 11 1 1 A 13 13 GLY CA C 73 45.350 45.272 0.078 1
1 131 . 11 1 1 A 13 13 GLY N N 73 103.500 103.964 -0.464 1
1 132 . 11 1 1 A 14 14 GLU H H 74 7.660 7.480 0.180 1
1 133 . 11 1 1 A 14 14 GLU HA H 74 4.640 4.427 0.213 1
1 138 . 11 1 1 A 14 14 GLU C C 74 176.170 176.000 0.170 1
1 139 . 11 1 1 A 14 14 GLU CA C 74 54.460 56.005 -1.545 1
1 140 . 11 1 1 A 14 14 GLU CB C 74 32.050 30.669 1.381 1
1 142 . 11 1 1 A 14 14 GLU N N 74 121.330 120.610 0.720 1
1 143 . 11 1 1 A 15 15 ARG H H 75 9.000 8.620 0.380 1
1 144 . 11 1 1 A 15 15 ARG HA H 75 4.120 4.432 -0.312 1
1 150 . 11 1 1 A 15 15 ARG C C 75 175.230 176.040 -0.810 1
1 151 . 11 1 1 A 15 15 ARG CA C 75 56.640 55.149 1.491 1
1 152 . 11 1 1 A 15 15 ARG CB C 75 29.720 28.818 0.902 1
1 155 . 11 1 1 A 15 15 ARG N N 75 127.990 124.677 3.313 1
1 156 . 11 1 1 A 16 16 CYS H H 76 8.870 8.725 0.145 1
1 157 . 11 1 1 A 16 16 CYS HA H 76 4.170 4.351 -0.181 1
1 160 . 11 1 1 A 16 16 CYS CA C 76 61.840 61.610 0.230 1
1 161 . 11 1 1 A 16 16 CYS CB C 76 31.150 28.125 3.025 1
1 162 . 11 1 1 A 16 16 CYS N N 76 131.840 125.487 6.353 1
1 163 . 11 1 1 A 17 17 GLY H H 77 8.530 8.024 0.506 1
1 164 . 11 1 1 A 17 17 GLY HA2 H 77 3.680 3.953 -0.273 1
1 165 . 11 1 1 A 17 17 GLY HA3 H 77 4.340 3.967 0.373 1
1 166 . 11 1 1 A 17 17 GLY C C 77 174.620 174.053 0.567 1
1 167 . 11 1 1 A 17 17 GLY CA C 77 45.110 45.150 -0.040 1
1 168 . 11 1 1 A 17 17 GLY N N 77 111.930 108.598 3.332 1
1 169 . 11 1 1 A 18 18 ARG H H 78 8.960 7.960 1.000 1
1 170 . 11 1 1 A 18 18 ARG HA H 78 4.290 4.401 -0.111 1
1 177 . 11 1 1 A 18 18 ARG C C 78 175.270 175.607 -0.337 1
1 178 . 11 1 1 A 18 18 ARG CA C 78 56.350 55.622 0.728 1
1 179 . 11 1 1 A 18 18 ARG CB C 78 31.310 31.650 -0.340 1
1 182 . 11 1 1 A 18 18 ARG N N 78 124.390 122.190 2.200 1
1 183 . 11 1 1 A 19 19 ALA H H 79 8.340 8.438 -0.098 1
1 184 . 11 1 1 A 19 19 ALA HA H 79 4.170 4.286 -0.116 1
1 188 . 11 1 1 A 19 19 ALA C C 79 177.620 177.385 0.235 1
1 189 . 11 1 1 A 19 19 ALA CA C 79 52.710 52.355 0.355 1
1 190 . 11 1 1 A 19 19 ALA CB C 79 18.710 19.078 -0.368 1
1 191 . 11 1 1 A 19 19 ALA N N 79 123.880 126.560 -2.680 1
1 192 . 11 1 1 A 20 20 ALA H H 80 8.470 8.407 0.063 1
1 193 . 11 1 1 A 20 20 ALA HA H 80 3.540 4.521 -0.981 1
1 197 . 11 1 1 A 20 20 ALA C C 80 177.560 177.977 -0.417 1
1 198 . 11 1 1 A 20 20 ALA CA C 80 52.840 52.010 0.830 1
1 199 . 11 1 1 A 20 20 ALA CB C 80 19.050 19.696 -0.646 1
1 200 . 11 1 1 A 20 20 ALA N N 80 124.580 123.855 0.725 1
1 201 . 11 1 1 A 21 21 GLY H H 81 8.090 8.264 -0.174 1
1 202 . 11 1 1 A 21 21 GLY HA2 H 81 3.800 4.159 -0.359 1
1 203 . 11 1 1 A 21 21 GLY HA3 H 81 4.430 4.188 0.242 1
1 204 . 11 1 1 A 21 21 GLY C C 81 173.170 174.751 -1.581 1
1 205 . 11 1 1 A 21 21 GLY CA C 81 44.390 44.446 -0.056 1
1 206 . 11 1 1 A 21 21 GLY N N 81 114.000 107.711 6.289 1
1 207 . 11 1 1 A 22 22 ASN H H 82 8.690 8.375 0.315 1
1 208 . 11 1 1 A 22 22 ASN HA H 82 4.650 4.762 -0.112 1
1 213 . 11 1 1 A 22 22 ASN C C 82 176.260 175.760 0.500 1
1 214 . 11 1 1 A 22 22 ASN CA C 82 53.580 54.580 -1.000 1
1 215 . 11 1 1 A 22 22 ASN CB C 82 39.580 39.740 -0.160 1
1 216 . 11 1 1 A 22 22 ASN N N 82 118.160 118.498 -0.338 1
1 218 . 11 1 1 A 23 23 ALA H H 83 8.720 7.666 1.054 1
1 219 . 11 1 1 A 23 23 ALA HA H 83 4.570 4.361 0.209 1
1 223 . 11 1 1 A 23 23 ALA C C 83 175.910 177.687 -1.777 1
1 224 . 11 1 1 A 23 23 ALA CA C 83 52.340 52.727 -0.387 1
1 225 . 11 1 1 A 23 23 ALA CB C 83 19.370 19.460 -0.090 1
1 226 . 11 1 1 A 23 23 ALA N N 83 125.180 122.512 2.668 1
1 227 . 11 1 1 A 24 24 SER H H 84 7.970 8.622 -0.652 1
1 228 . 11 1 1 A 24 24 SER HA H 84 5.310 5.229 0.081 1
1 230 . 11 1 1 A 24 24 SER C C 84 174.620 173.122 1.498 1
1 231 . 11 1 1 A 24 24 SER CA C 84 56.550 56.498 0.052 1
1 232 . 11 1 1 A 24 24 SER CB C 84 66.420 65.594 0.826 1
1 233 . 11 1 1 A 24 24 SER N N 84 112.840 112.713 0.127 1
1 234 . 11 1 1 A 25 25 PHE H H 85 9.580 8.849 0.731 1
1 235 . 11 1 1 A 25 25 PHE HA H 85 4.320 5.214 -0.894 1
1 241 . 11 1 1 A 25 25 PHE C C 85 173.430 174.743 -1.313 1
1 242 . 11 1 1 A 25 25 PHE CA C 85 57.780 56.175 1.605 1
1 243 . 11 1 1 A 25 25 PHE CB C 85 38.780 40.216 -1.436 1
1 247 . 11 1 1 A 25 25 PHE N N 85 125.520 123.435 2.085 1
1 248 . 11 1 1 A 26 26 SER H H 86 6.780 8.335 -1.555 1
1 249 . 11 1 1 A 26 26 SER HA H 86 4.430 4.733 -0.303 1
1 252 . 11 1 1 A 26 26 SER C C 86 174.200 175.170 -0.970 1
1 253 . 11 1 1 A 26 26 SER CA C 86 56.610 56.407 0.203 1
1 254 . 11 1 1 A 26 26 SER CB C 86 66.010 65.111 0.899 1
1 255 . 11 1 1 A 26 26 SER N N 86 118.860 119.046 -0.186 1
1 256 . 11 1 1 A 27 27 LYS H H 87 8.710 8.628 0.082 1
1 257 . 11 1 1 A 27 27 LYS HA H 87 3.850 3.766 0.084 1
1 263 . 11 1 1 A 27 27 LYS C C 87 178.490 178.849 -0.359 1
1 264 . 11 1 1 A 27 27 LYS CA C 87 59.390 59.365 0.025 1
1 265 . 11 1 1 A 27 27 LYS CB C 87 31.970 32.532 -0.562 1
1 269 . 11 1 1 A 27 27 LYS N N 87 121.790 119.868 1.922 1
1 270 . 11 1 1 A 28 28 ARG H H 88 8.010 7.744 0.266 1
1 271 . 11 1 1 A 28 28 ARG HA H 88 3.990 4.005 -0.015 1
1 277 . 11 1 1 A 28 28 ARG C C 88 178.890 178.803 0.087 1
1 278 . 11 1 1 A 28 28 ARG CA C 88 59.010 58.574 0.436 1
1 279 . 11 1 1 A 28 28 ARG CB C 88 30.120 29.730 0.390 1
1 282 . 11 1 1 A 28 28 ARG N N 88 119.520 119.709 -0.189 1
1 283 . 11 1 1 A 29 29 ILE H H 89 7.350 7.613 -0.263 1
1 284 . 11 1 1 A 29 29 ILE HA H 89 3.680 3.632 0.048 1
1 294 . 11 1 1 A 29 29 ILE C C 89 177.620 177.678 -0.058 1
1 295 . 11 1 1 A 29 29 ILE CA C 89 63.170 65.344 -2.174 1
1 296 . 11 1 1 A 29 29 ILE CB C 89 36.900 37.274 -0.374 1
1 300 . 11 1 1 A 29 29 ILE N N 89 121.980 119.979 2.001 1
1 301 . 11 1 1 A 30 30 GLN H H 90 7.990 7.412 0.578 1
1 302 . 11 1 1 A 30 30 GLN HA H 90 3.630 3.982 -0.352 1
1 308 . 11 1 1 A 30 30 GLN C C 90 178.320 178.450 -0.130 1
1 309 . 11 1 1 A 30 30 GLN CA C 90 59.200 59.161 0.039 1
1 310 . 11 1 1 A 30 30 GLN CB C 90 28.700 28.225 0.475 1
1 312 . 11 1 1 A 30 30 GLN N N 90 121.020 119.855 1.165 1
1 314 . 11 1 1 A 31 31 LYS H H 91 7.990 8.110 -0.120 1
1 315 . 11 1 1 A 31 31 LYS HA H 91 4.090 4.038 0.052 1
1 321 . 11 1 1 A 31 31 LYS C C 91 178.650 179.295 -0.645 1
1 322 . 11 1 1 A 31 31 LYS CA C 91 58.720 59.129 -0.409 1
1 323 . 11 1 1 A 31 31 LYS CB C 91 32.220 32.184 0.036 1
1 327 . 11 1 1 A 31 31 LYS N N 91 119.520 119.511 0.009 1
1 328 . 11 1 1 A 32 32 SER H H 92 7.770 8.120 -0.350 1
1 329 . 11 1 1 A 32 32 SER HA H 92 4.320 4.132 0.188 1
1 332 . 11 1 1 A 32 32 SER C C 92 176.110 176.633 -0.523 1
1 333 . 11 1 1 A 32 32 SER CA C 92 61.260 62.712 -1.452 1
1 334 . 11 1 1 A 32 32 SER CB C 92 63.610 62.880 0.730 1
1 335 . 11 1 1 A 32 32 SER N N 92 116.310 116.409 -0.099 1
1 336 . 11 1 1 A 33 33 ILE H H 93 7.960 8.022 -0.062 1
1 337 . 11 1 1 A 33 33 ILE HA H 93 3.920 3.764 0.156 1
1 347 . 11 1 1 A 33 33 ILE C C 93 177.480 178.313 -0.833 1
1 348 . 11 1 1 A 33 33 ILE CA C 93 63.610 63.900 -0.290 1
1 349 . 11 1 1 A 33 33 ILE CB C 93 38.330 36.527 1.803 1
1 353 . 11 1 1 A 33 33 ILE N N 93 119.950 121.884 -1.934 1
1 354 . 11 1 1 A 34 34 SER H H 94 7.970 8.225 -0.255 1
1 355 . 11 1 1 A 34 34 SER HA H 94 4.390 4.129 0.261 1
1 357 . 11 1 1 A 34 34 SER C C 94 176.490 177.134 -0.644 1
1 358 . 11 1 1 A 34 34 SER CA C 94 60.560 61.534 -0.974 1
1 359 . 11 1 1 A 34 34 SER CB C 94 63.130 62.972 0.158 1
1 360 . 11 1 1 A 34 34 SER N N 94 117.230 117.089 0.141 1
1 361 . 11 1 1 A 35 35 GLN H H 95 8.220 8.183 0.037 1
1 362 . 11 1 1 A 35 35 GLN HA H 95 4.260 4.006 0.254 1
1 369 . 11 1 1 A 35 35 GLN C C 95 177.050 177.389 -0.339 1
1 370 . 11 1 1 A 35 35 GLN CA C 95 57.360 58.385 -1.025 1
1 371 . 11 1 1 A 35 35 GLN CB C 95 28.900 28.438 0.462 1
1 373 . 11 1 1 A 35 35 GLN N N 95 121.530 120.669 0.861 1
1 375 . 11 1 1 A 36 36 LYS H H 96 7.870 7.642 0.228 1
1 376 . 11 1 1 A 36 36 LYS HA H 96 4.280 4.253 0.027 1
1 383 . 11 1 1 A 36 36 LYS C C 96 176.160 176.658 -0.498 1
1 384 . 11 1 1 A 36 36 LYS CA C 96 56.570 57.957 -1.387 1
1 385 . 11 1 1 A 36 36 LYS CB C 96 33.600 33.229 0.371 1
1 389 . 11 1 1 A 36 36 LYS N N 96 118.550 116.693 1.857 1
1 390 . 11 1 1 A 37 37 LYS H H 97 8.110 8.640 -0.530 1
1 391 . 11 1 1 A 37 37 LYS HA H 97 4.110 3.940 0.170 1
1 396 . 11 1 1 A 37 37 LYS C C 97 176.210 175.471 0.739 1
1 397 . 11 1 1 A 37 37 LYS CA C 97 57.230 57.239 -0.009 1
1 398 . 11 1 1 A 37 37 LYS CB C 97 30.580 31.035 -0.455 1
1 402 . 11 1 1 A 37 37 LYS N N 97 117.680 119.114 -1.434 1
1 403 . 11 1 1 A 38 38 VAL H H 98 7.430 7.843 -0.413 1
1 404 . 11 1 1 A 38 38 VAL HA H 98 4.350 4.954 -0.604 1
1 412 . 11 1 1 A 38 38 VAL C C 98 175.830 174.568 1.262 1
1 413 . 11 1 1 A 38 38 VAL CA C 98 60.580 58.630 1.950 1
1 414 . 11 1 1 A 38 38 VAL CB C 98 33.410 35.384 -1.974 1
1 417 . 11 1 1 A 38 38 VAL N N 98 115.860 116.106 -0.246 1
1 418 . 11 1 1 A 39 39 LYS H H 99 8.960 8.321 0.639 1
1 419 . 11 1 1 A 39 39 LYS HA H 99 4.430 4.398 0.032 1
1 425 . 11 1 1 A 39 39 LYS C C 99 175.700 174.567 1.133 1
1 426 . 11 1 1 A 39 39 LYS CA C 99 55.420 56.211 -0.791 1
1 427 . 11 1 1 A 39 39 LYS CB C 99 30.580 30.604 -0.024 1
1 431 . 11 1 1 A 39 39 LYS N N 99 127.710 120.184 7.526 1
1 432 . 11 1 1 A 40 40 ILE H H 100 7.660 7.948 -0.288 1
1 433 . 11 1 1 A 40 40 ILE HA H 100 5.020 4.759 0.261 1
1 443 . 11 1 1 A 40 40 ILE C C 100 174.520 175.078 -0.558 1
1 444 . 11 1 1 A 40 40 ILE CA C 100 59.370 60.712 -1.342 1
1 445 . 11 1 1 A 40 40 ILE CB C 100 40.650 40.129 0.521 1
1 449 . 11 1 1 A 40 40 ILE N N 100 123.140 123.466 -0.326 1
1 450 . 11 1 1 A 41 41 GLU H H 101 8.490 9.015 -0.525 1
1 451 . 11 1 1 A 41 41 GLU HA H 101 4.620 4.941 -0.321 1
1 456 . 11 1 1 A 41 41 GLU C C 101 173.590 174.424 -0.834 1
1 457 . 11 1 1 A 41 41 GLU CA C 101 53.740 54.271 -0.531 1
1 458 . 11 1 1 A 41 41 GLU CB C 101 34.580 33.365 1.215 1
1 460 . 11 1 1 A 41 41 GLU N N 101 123.460 124.472 -1.012 1
1 461 . 11 1 1 A 42 42 LEU H H 102 8.490 8.186 0.304 1
1 462 . 11 1 1 A 42 42 LEU HA H 102 3.790 4.384 -0.594 1
1 472 . 11 1 1 A 42 42 LEU C C 102 176.440 175.691 0.749 1
1 473 . 11 1 1 A 42 42 LEU CA C 102 55.190 54.329 0.861 1
1 474 . 11 1 1 A 42 42 LEU CB C 102 43.100 42.978 0.122 1
1 478 . 11 1 1 A 42 42 LEU N N 102 123.470 123.158 0.312 1
1 479 . 11 1 1 A 43 43 ASP H H 103 8.770 8.136 0.634 1
1 480 . 11 1 1 A 43 43 ASP HA H 103 4.520 4.633 -0.113 1
1 483 . 11 1 1 A 43 43 ASP C C 103 177.600 177.109 0.491 1
1 484 . 11 1 1 A 43 43 ASP CA C 103 53.740 54.245 -0.505 1
1 485 . 11 1 1 A 43 43 ASP CB C 103 41.880 41.544 0.336 1
1 486 . 11 1 1 A 43 43 ASP N N 103 127.210 126.173 1.037 1
1 487 . 11 1 1 A 44 44 LYS H H 104 8.910 8.737 0.173 1
1 488 . 11 1 1 A 44 44 LYS HA H 104 3.920 4.030 -0.110 1
1 495 . 11 1 1 A 44 44 LYS C C 104 177.340 178.460 -1.120 1
1 496 . 11 1 1 A 44 44 LYS CA C 104 58.930 59.154 -0.224 1
1 497 . 11 1 1 A 44 44 LYS CB C 104 32.000 31.933 0.067 1
1 501 . 11 1 1 A 44 44 LYS N N 104 129.080 127.387 1.693 1
1 502 . 11 1 1 A 45 45 SER H H 105 8.740 8.165 0.575 1
1 503 . 11 1 1 A 45 45 SER HA H 105 4.370 4.187 0.183 1
1 506 . 11 1 1 A 45 45 SER C C 105 175.040 175.494 -0.454 1
1 507 . 11 1 1 A 45 45 SER CA C 105 59.150 61.407 -2.257 1
1 508 . 11 1 1 A 45 45 SER CB C 105 63.830 62.215 1.615 1
1 509 . 11 1 1 A 45 45 SER N N 105 115.270 112.988 2.282 1
1 510 . 11 1 1 A 46 46 ALA H H 106 7.430 7.079 0.351 1
1 511 . 11 1 1 A 46 46 ALA HA H 106 4.150 4.189 -0.039 1
1 515 . 11 1 1 A 46 46 ALA CA C 106 53.300 52.226 1.074 1
1 516 . 11 1 1 A 46 46 ALA CB C 106 19.190 19.913 -0.723 1
1 517 . 11 1 1 A 46 46 ALA N N 106 125.120 124.234 0.886 1
1 518 . 11 1 1 A 47 47 ARG HA H 107 4.280 4.550 -0.270 1
1 526 . 11 1 1 A 48 48 HIS HA H 108 4.650 4.574 0.076 1
1 531 . 11 1 1 A 48 48 HIS C C 108 173.160 174.816 -1.656 1
1 532 . 11 1 1 A 48 48 HIS CA C 108 54.990 55.858 -0.868 1
1 533 . 11 1 1 A 48 48 HIS CB C 108 33.400 31.058 2.342 1
1 538 . 11 1 1 A 49 49 LEU H H 109 8.030 8.501 -0.471 1
1 539 . 11 1 1 A 49 49 LEU HA H 109 5.040 4.673 0.367 1
1 549 . 11 1 1 A 49 49 LEU CA C 109 54.480 53.856 0.624 1
1 550 . 11 1 1 A 49 49 LEU CB C 109 43.010 42.573 0.437 1
1 554 . 11 1 1 A 49 49 LEU N N 109 120.130 121.127 -0.997 1
1 555 . 11 1 1 A 50 50 TYR HA H 110 5.020 5.118 -0.098 1
1 560 . 11 1 1 A 50 50 TYR C C 110 176.960 175.463 1.497 1
1 561 . 11 1 1 A 50 50 TYR CA C 110 60.340 56.849 3.491 1
1 562 . 11 1 1 A 50 50 TYR CB C 110 39.210 41.850 -2.640 1
1 565 . 11 1 1 A 51 51 ILE H H 111 8.510 8.512 -0.002 1
1 566 . 11 1 1 A 51 51 ILE HA H 111 5.960 5.043 0.917 1
1 576 . 11 1 1 A 51 51 ILE C C 111 177.900 175.977 1.923 1
1 577 . 11 1 1 A 51 51 ILE CA C 111 58.100 59.246 -1.146 1
1 578 . 11 1 1 A 51 51 ILE CB C 111 41.370 40.525 0.845 1
1 582 . 11 1 1 A 51 51 ILE N N 111 115.050 119.362 -4.312 1
1 583 . 11 1 1 A 52 52 CYS H H 112 9.830 8.799 1.031 1
1 584 . 11 1 1 A 52 52 CYS HA H 112 5.000 4.820 0.180 1
1 587 . 11 1 1 A 52 52 CYS C C 112 175.420 175.908 -0.488 1
1 588 . 11 1 1 A 52 52 CYS CA C 112 57.770 57.897 -0.127 1
1 589 . 11 1 1 A 52 52 CYS CB C 112 33.120 30.073 3.047 1
1 590 . 11 1 1 A 52 52 CYS N N 112 125.820 121.693 4.127 1
1 591 . 11 1 1 A 53 53 ASP H H 113 9.000 8.987 0.013 1
1 592 . 11 1 1 A 53 53 ASP HA H 113 4.510 4.351 0.159 1
1 594 . 11 1 1 A 53 53 ASP C C 113 178.140 178.167 -0.027 1
1 595 . 11 1 1 A 53 53 ASP CA C 113 57.330 57.381 -0.051 1
1 596 . 11 1 1 A 53 53 ASP CB C 113 39.730 40.345 -0.615 1
1 597 . 11 1 1 A 53 53 ASP N N 113 121.960 121.189 0.771 1
1 598 . 11 1 1 A 54 54 TYR H H 114 8.220 8.216 0.004 1
1 599 . 11 1 1 A 54 54 TYR HA H 114 4.100 4.166 -0.066 1
1 604 . 11 1 1 A 54 54 TYR C C 114 178.410 177.251 1.159 1
1 605 . 11 1 1 A 54 54 TYR CA C 114 61.970 61.765 0.205 1
1 606 . 11 1 1 A 54 54 TYR CB C 114 37.150 38.986 -1.836 1
1 609 . 11 1 1 A 54 54 TYR N N 114 123.510 122.354 1.156 1
1 610 . 11 1 1 A 55 55 HIS H H 115 10.090 7.717 2.373 1
1 611 . 11 1 1 A 55 55 HIS HA H 115 4.040 3.805 0.235 1
1 616 . 11 1 1 A 55 55 HIS C C 115 177.240 177.445 -0.205 1
1 617 . 11 1 1 A 55 55 HIS CA C 115 63.870 59.845 4.025 1
1 618 . 11 1 1 A 55 55 HIS CB C 115 29.600 29.730 -0.130 1
1 621 . 11 1 1 A 55 55 HIS N N 115 124.830 116.847 7.983 1
1 624 . 11 1 1 A 56 56 LYS H H 116 8.830 8.157 0.673 1
1 625 . 11 1 1 A 56 56 LYS HA H 116 3.720 3.881 -0.161 1
1 633 . 11 1 1 A 56 56 LYS C C 116 178.140 179.029 -0.889 1
1 634 . 11 1 1 A 56 56 LYS CA C 116 60.590 59.952 0.638 1
1 635 . 11 1 1 A 56 56 LYS CB C 116 32.230 32.361 -0.131 1
1 639 . 11 1 1 A 56 56 LYS N N 116 123.340 119.953 3.387 1
1 640 . 11 1 1 A 57 57 ASN H H 117 8.140 8.151 -0.011 1
1 641 . 11 1 1 A 57 57 ASN HA H 117 4.340 4.505 -0.165 1
1 646 . 11 1 1 A 57 57 ASN C C 117 177.570 177.443 0.127 1
1 647 . 11 1 1 A 57 57 ASN CA C 117 55.890 56.202 -0.312 1
1 648 . 11 1 1 A 57 57 ASN CB C 117 38.070 38.581 -0.511 1
1 649 . 11 1 1 A 57 57 ASN N N 117 116.920 118.234 -1.314 1
1 651 . 11 1 1 A 58 58 LEU H H 118 7.890 7.664 0.226 1
1 652 . 11 1 1 A 58 58 LEU HA H 118 3.930 3.970 -0.040 1
1 662 . 11 1 1 A 58 58 LEU C C 118 179.400 178.861 0.539 1
1 663 . 11 1 1 A 58 58 LEU CA C 118 58.420 58.086 0.334 1
1 664 . 11 1 1 A 58 58 LEU CB C 118 43.170 41.533 1.637 1
1 668 . 11 1 1 A 58 58 LEU N N 118 123.590 120.070 3.520 1
1 669 . 11 1 1 A 59 59 ILE H H 119 8.360 8.123 0.237 1
1 670 . 11 1 1 A 59 59 ILE HA H 119 3.470 3.910 -0.440 1
1 680 . 11 1 1 A 59 59 ILE C C 119 177.290 178.325 -1.035 1
1 681 . 11 1 1 A 59 59 ILE CA C 119 65.260 63.897 1.363 1
1 682 . 11 1 1 A 59 59 ILE CB C 119 38.330 37.233 1.097 1
1 686 . 11 1 1 A 59 59 ILE N N 119 118.630 119.118 -0.488 1
1 687 . 11 1 1 A 60 60 GLN H H 120 7.830 8.430 -0.600 1
1 688 . 11 1 1 A 60 60 GLN HA H 120 4.130 4.080 0.050 1
1 694 . 11 1 1 A 60 60 GLN C C 120 177.240 177.528 -0.288 1
1 695 . 11 1 1 A 60 60 GLN CA C 120 57.750 59.068 -1.318 1
1 696 . 11 1 1 A 60 60 GLN CB C 120 28.910 29.099 -0.189 1
1 698 . 11 1 1 A 60 60 GLN N N 120 117.840 120.181 -2.341 1
1 700 . 11 1 1 A 61 61 SER H H 121 7.790 7.557 0.233 1
1 701 . 11 1 1 A 61 61 SER HA H 121 4.300 4.815 -0.515 1
1 703 . 11 1 1 A 61 61 SER C C 121 175.650 174.790 0.860 1
1 704 . 11 1 1 A 61 61 SER CA C 121 60.090 58.192 1.898 1
1 705 . 11 1 1 A 61 61 SER CB C 121 63.570 63.615 -0.045 1
1 706 . 11 1 1 A 61 61 SER N N 121 115.460 113.629 1.831 1
1 707 . 11 1 1 A 62 62 VAL H H 122 8.020 7.720 0.300 1
1 708 . 11 1 1 A 62 62 VAL HA H 122 4.020 3.836 0.184 1
1 716 . 11 1 1 A 62 62 VAL C C 122 176.960 176.641 0.319 1
1 717 . 11 1 1 A 62 62 VAL CA C 122 63.600 65.613 -2.013 1
1 718 . 11 1 1 A 62 62 VAL CB C 122 32.300 32.282 0.018 1
1 721 . 11 1 1 A 62 62 VAL N N 122 121.600 119.932 1.668 1
1 722 . 11 1 1 A 63 63 ARG H H 123 8.130 7.742 0.388 1
1 723 . 11 1 1 A 63 63 ARG HA H 123 4.190 4.472 -0.282 1
1 729 . 11 1 1 A 63 63 ARG C C 123 176.490 176.326 0.164 1
1 730 . 11 1 1 A 63 63 ARG CA C 123 57.070 55.229 1.841 1
1 731 . 11 1 1 A 63 63 ARG CB C 123 30.780 28.576 2.204 1
1 734 . 11 1 1 A 63 63 ARG N N 123 122.770 118.677 4.093 1
1 735 . 11 1 1 A 64 64 ASN H H 124 8.210 8.375 -0.165 1
1 736 . 11 1 1 A 64 64 ASN HA H 124 4.650 5.006 -0.356 1
1 741 . 11 1 1 A 64 64 ASN C C 124 175.310 175.222 0.088 1
1 742 . 11 1 1 A 64 64 ASN CA C 124 53.500 52.125 1.375 1
1 743 . 11 1 1 A 64 64 ASN CB C 124 38.840 38.473 0.367 1
1 744 . 11 1 1 A 64 64 ASN N N 124 119.350 119.119 0.231 1
1 746 . 11 1 1 A 65 65 ARG H H 125 8.100 7.936 0.164 1
1 747 . 11 1 1 A 65 65 ARG HA H 125 4.270 4.516 -0.246 1
1 752 . 11 1 1 A 65 65 ARG C C 125 176.310 176.600 -0.290 1
1 753 . 11 1 1 A 65 65 ARG CA C 125 56.580 57.089 -0.509 1
1 754 . 11 1 1 A 65 65 ARG CB C 125 30.810 33.329 -2.519 1
1 757 . 11 1 1 A 65 65 ARG N N 125 122.230 119.019 3.211 1
1 758 . 11 1 1 A 66 66 ARG H H 126 8.260 7.934 0.326 1
1 759 . 11 1 1 A 66 66 ARG HA H 126 4.270 4.115 0.155 1
1 764 . 11 1 1 A 66 66 ARG C C 126 176.210 176.052 0.158 1
1 765 . 11 1 1 A 66 66 ARG CA C 126 56.190 58.999 -2.809 1
1 766 . 11 1 1 A 66 66 ARG CB C 126 30.810 29.600 1.210 1
1 769 . 11 1 1 A 66 66 ARG N N 126 122.760 120.752 2.008 1
1 770 . 11 1 1 A 67 67 LYS H H 127 8.270 8.028 0.242 1
1 771 . 11 1 1 A 67 67 LYS HA H 127 4.260 3.969 0.291 1
1 776 . 11 1 1 A 67 67 LYS C C 127 176.450 174.953 1.497 1
1 777 . 11 1 1 A 67 67 LYS CA C 127 56.320 57.081 -0.761 1
1 778 . 11 1 1 A 67 67 LYS CB C 127 33.180 30.994 2.186 1
1 782 . 11 1 1 A 67 67 LYS N N 127 123.620 118.582 5.038 1
1 783 . 11 1 1 A 68 68 ARG H H 128 8.340 8.054 0.286 1
1 784 . 11 1 1 A 68 68 ARG HA H 128 4.270 5.014 -0.744 1
1 788 . 11 1 1 A 68 68 ARG C C 128 176.250 175.247 1.003 1
1 789 . 11 1 1 A 68 68 ARG CA C 128 56.130 54.371 1.759 1
1 790 . 11 1 1 A 68 68 ARG CB C 128 31.060 34.164 -3.104 1
1 793 . 11 1 1 A 68 68 ARG N N 128 123.750 120.832 2.918 1
1 794 . 11 1 1 A 69 69 LYS H H 129 8.450 8.696 -0.246 1
1 795 . 11 1 1 A 69 69 LYS HA H 129 4.250 4.622 -0.372 1
1 800 . 11 1 1 A 69 69 LYS C C 129 177.010 176.519 0.491 1
1 801 . 11 1 1 A 69 69 LYS CA C 129 57.000 55.093 1.907 1
1 802 . 11 1 1 A 69 69 LYS CB C 129 32.940 34.271 -1.331 1
1 806 . 11 1 1 A 69 69 LYS N N 129 124.580 121.368 3.212 1
1 807 . 11 1 1 A 70 70 GLY H H 130 8.500 7.483 1.017 1
1 808 . 11 1 1 A 70 70 GLY HA2 H 130 3.910 4.158 -0.248 1
1 809 . 11 1 1 A 70 70 GLY HA3 H 130 4.010 4.159 -0.149 1
1 810 . 11 1 1 A 70 70 GLY C C 130 173.360 171.736 1.624 1
1 811 . 11 1 1 A 70 70 GLY CA C 130 45.370 45.576 -0.206 1
1 812 . 11 1 1 A 70 70 GLY N N 130 112.470 107.787 4.683 1
1 6 . 12 1 1 A 2 2 ASN HA H 62 4.610 5.059 -0.449 1
1 10 . 12 1 1 A 2 2 ASN C C 62 174.760 174.412 0.348 1
1 11 . 12 1 1 A 2 2 ASN CA C 62 53.100 52.171 0.929 1
1 12 . 12 1 1 A 2 2 ASN CB C 62 38.790 40.720 -1.930 1
1 14 . 12 1 1 A 3 3 ALA H H 63 8.300 8.508 -0.208 1
1 15 . 12 1 1 A 3 3 ALA HA H 63 4.200 3.761 0.439 1
1 19 . 12 1 1 A 3 3 ALA C C 63 178.180 177.448 0.732 1
1 20 . 12 1 1 A 3 3 ALA CA C 63 53.070 52.713 0.357 1
1 21 . 12 1 1 A 3 3 ALA CB C 63 18.960 17.438 1.522 1
1 22 . 12 1 1 A 3 3 ALA N N 63 125.390 128.652 -3.262 1
1 23 . 12 1 1 A 4 4 GLY H H 64 8.340 8.152 0.188 1
1 24 . 12 1 1 A 4 4 GLY HA2 H 64 3.800 3.831 -0.031 1
1 25 . 12 1 1 A 4 4 GLY HA3 H 64 3.860 3.834 0.026 1
1 26 . 12 1 1 A 4 4 GLY C C 64 174.010 173.828 0.182 1
1 27 . 12 1 1 A 4 4 GLY CA C 64 45.350 46.436 -1.086 1
1 28 . 12 1 1 A 4 4 GLY N N 64 109.300 109.616 -0.316 1
1 29 . 12 1 1 A 5 5 GLN H H 65 7.950 7.341 0.609 1
1 30 . 12 1 1 A 5 5 GLN HA H 65 4.330 4.548 -0.218 1
1 35 . 12 1 1 A 5 5 GLN C C 65 175.560 174.914 0.646 1
1 36 . 12 1 1 A 5 5 GLN CA C 65 55.400 55.185 0.215 1
1 37 . 12 1 1 A 5 5 GLN CB C 65 29.860 30.451 -0.591 1
1 39 . 12 1 1 A 5 5 GLN N N 65 119.540 118.688 0.852 1
1 41 . 12 1 1 A 6 6 LEU H H 66 8.740 8.444 0.296 1
1 42 . 12 1 1 A 6 6 LEU HA H 66 4.610 5.084 -0.474 1
1 52 . 12 1 1 A 6 6 LEU C C 66 175.750 176.417 -0.667 1
1 53 . 12 1 1 A 6 6 LEU CA C 66 54.010 53.014 0.996 1
1 54 . 12 1 1 A 6 6 LEU CB C 66 43.490 44.429 -0.939 1
1 58 . 12 1 1 A 6 6 LEU N N 66 126.120 121.060 5.060 1
1 59 . 12 1 1 A 7 7 CYS H H 67 8.470 8.917 -0.447 1
1 60 . 12 1 1 A 7 7 CYS HA H 67 4.140 4.395 -0.255 1
1 63 . 12 1 1 A 7 7 CYS C C 67 175.320 176.448 -1.128 1
1 64 . 12 1 1 A 7 7 CYS CA C 67 60.780 60.126 0.654 1
1 65 . 12 1 1 A 7 7 CYS CB C 67 32.850 28.533 4.317 1
1 66 . 12 1 1 A 7 7 CYS N N 67 123.170 124.422 -1.252 1
1 67 . 12 1 1 A 8 8 CYS H H 68 8.170 8.732 -0.562 1
1 68 . 12 1 1 A 8 8 CYS HA H 68 4.280 4.670 -0.390 1
1 72 . 12 1 1 A 8 8 CYS C C 68 172.410 174.231 -1.821 1
1 73 . 12 1 1 A 8 8 CYS CA C 68 58.920 58.449 0.471 1
1 74 . 12 1 1 A 8 8 CYS CB C 68 28.920 27.200 1.720 1
1 75 . 12 1 1 A 8 8 CYS N N 68 124.700 123.748 0.952 1
1 76 . 12 1 1 A 9 9 LEU H H 69 8.180 7.089 1.091 1
1 77 . 12 1 1 A 9 9 LEU HA H 69 4.580 4.748 -0.168 1
1 87 . 12 1 1 A 9 9 LEU C C 69 176.770 175.987 0.783 1
1 88 . 12 1 1 A 9 9 LEU CA C 69 54.760 53.133 1.627 1
1 89 . 12 1 1 A 9 9 LEU CB C 69 43.150 44.965 -1.815 1
1 93 . 12 1 1 A 9 9 LEU N N 69 122.650 122.354 0.296 1
1 94 . 12 1 1 A 10 10 ARG H H 70 8.880 8.386 0.494 1
1 95 . 12 1 1 A 10 10 ARG HA H 70 4.770 5.401 -0.631 1
1 102 . 12 1 1 A 10 10 ARG C C 70 174.900 174.257 0.643 1
1 103 . 12 1 1 A 10 10 ARG CA C 70 54.710 54.316 0.394 1
1 104 . 12 1 1 A 10 10 ARG CB C 70 33.390 31.958 1.432 1
1 107 . 12 1 1 A 10 10 ARG N N 70 117.650 121.812 -4.162 1
1 108 . 12 1 1 A 11 11 GLU H H 71 8.640 9.005 -0.365 1
1 109 . 12 1 1 A 11 11 GLU HA H 71 5.090 4.636 0.454 1
1 113 . 12 1 1 A 11 11 GLU C C 71 176.070 175.775 0.295 1
1 114 . 12 1 1 A 11 11 GLU CA C 71 54.270 55.440 -1.170 1
1 115 . 12 1 1 A 11 11 GLU CB C 71 32.460 30.918 1.542 1
1 117 . 12 1 1 A 11 11 GLU N N 71 123.910 125.904 -1.994 1
1 118 . 12 1 1 A 12 12 ASP H H 72 9.510 9.055 0.455 1
1 119 . 12 1 1 A 12 12 ASP HA H 72 4.270 4.366 -0.096 1
1 122 . 12 1 1 A 12 12 ASP C C 72 175.890 176.010 -0.120 1
1 123 . 12 1 1 A 12 12 ASP CA C 72 55.880 55.212 0.668 1
1 124 . 12 1 1 A 12 12 ASP CB C 72 39.910 39.364 0.546 1
1 125 . 12 1 1 A 12 12 ASP N N 72 129.440 128.377 1.063 1
1 126 . 12 1 1 A 13 13 GLY H H 73 8.970 8.362 0.608 1
1 127 . 12 1 1 A 13 13 GLY HA2 H 73 3.520 3.861 -0.341 1
1 128 . 12 1 1 A 13 13 GLY HA3 H 73 4.200 3.864 0.336 1
1 129 . 12 1 1 A 13 13 GLY C C 73 173.960 173.940 0.020 1
1 130 . 12 1 1 A 13 13 GLY CA C 73 45.350 45.286 0.064 1
1 131 . 12 1 1 A 13 13 GLY N N 73 103.500 104.834 -1.334 1
1 132 . 12 1 1 A 14 14 GLU H H 74 7.660 7.731 -0.071 1
1 133 . 12 1 1 A 14 14 GLU HA H 74 4.640 4.488 0.152 1
1 138 . 12 1 1 A 14 14 GLU C C 74 176.170 175.890 0.280 1
1 139 . 12 1 1 A 14 14 GLU CA C 74 54.460 55.207 -0.747 1
1 140 . 12 1 1 A 14 14 GLU CB C 74 32.050 31.166 0.884 1
1 142 . 12 1 1 A 14 14 GLU N N 74 121.330 120.341 0.989 1
1 143 . 12 1 1 A 15 15 ARG H H 75 9.000 8.678 0.322 1
1 144 . 12 1 1 A 15 15 ARG HA H 75 4.120 4.494 -0.374 1
1 150 . 12 1 1 A 15 15 ARG C C 75 175.230 176.059 -0.829 1
1 151 . 12 1 1 A 15 15 ARG CA C 75 56.640 55.221 1.419 1
1 152 . 12 1 1 A 15 15 ARG CB C 75 29.720 28.652 1.068 1
1 155 . 12 1 1 A 15 15 ARG N N 75 127.990 127.125 0.865 1
1 156 . 12 1 1 A 16 16 CYS H H 76 8.870 9.092 -0.222 1
1 157 . 12 1 1 A 16 16 CYS HA H 76 4.170 4.328 -0.158 1
1 160 . 12 1 1 A 16 16 CYS CA C 76 61.840 61.206 0.634 1
1 161 . 12 1 1 A 16 16 CYS CB C 76 31.150 28.121 3.029 1
1 162 . 12 1 1 A 16 16 CYS N N 76 131.840 118.477 13.363 1
1 163 . 12 1 1 A 17 17 GLY H H 77 8.530 8.639 -0.109 1
1 164 . 12 1 1 A 17 17 GLY HA2 H 77 3.680 3.955 -0.275 1
1 165 . 12 1 1 A 17 17 GLY HA3 H 77 4.340 3.970 0.370 1
1 166 . 12 1 1 A 17 17 GLY C C 77 174.620 174.212 0.408 1
1 167 . 12 1 1 A 17 17 GLY CA C 77 45.110 45.059 0.051 1
1 168 . 12 1 1 A 17 17 GLY N N 77 111.930 108.712 3.218 1
1 169 . 12 1 1 A 18 18 ARG H H 78 8.960 7.859 1.101 1
1 170 . 12 1 1 A 18 18 ARG HA H 78 4.290 4.308 -0.018 1
1 177 . 12 1 1 A 18 18 ARG C C 78 175.270 175.745 -0.475 1
1 178 . 12 1 1 A 18 18 ARG CA C 78 56.350 56.119 0.231 1
1 179 . 12 1 1 A 18 18 ARG CB C 78 31.310 31.288 0.022 1
1 182 . 12 1 1 A 18 18 ARG N N 78 124.390 122.638 1.752 1
1 183 . 12 1 1 A 19 19 ALA H H 79 8.340 8.288 0.052 1
1 184 . 12 1 1 A 19 19 ALA HA H 79 4.170 4.542 -0.372 1
1 188 . 12 1 1 A 19 19 ALA C C 79 177.620 177.436 0.184 1
1 189 . 12 1 1 A 19 19 ALA CA C 79 52.710 52.166 0.544 1
1 190 . 12 1 1 A 19 19 ALA CB C 79 18.710 18.871 -0.161 1
1 191 . 12 1 1 A 19 19 ALA N N 79 123.880 127.012 -3.132 1
1 192 . 12 1 1 A 20 20 ALA H H 80 8.470 9.084 -0.614 1
1 193 . 12 1 1 A 20 20 ALA HA H 80 3.540 4.570 -1.030 1
1 197 . 12 1 1 A 20 20 ALA C C 80 177.560 177.637 -0.077 1
1 198 . 12 1 1 A 20 20 ALA CA C 80 52.840 51.983 0.857 1
1 199 . 12 1 1 A 20 20 ALA CB C 80 19.050 19.526 -0.476 1
1 200 . 12 1 1 A 20 20 ALA N N 80 124.580 123.242 1.338 1
1 201 . 12 1 1 A 21 21 GLY H H 81 8.090 9.116 -1.026 1
1 202 . 12 1 1 A 21 21 GLY HA2 H 81 3.800 4.137 -0.337 1
1 203 . 12 1 1 A 21 21 GLY HA3 H 81 4.430 4.163 0.267 1
1 204 . 12 1 1 A 21 21 GLY C C 81 173.170 174.643 -1.473 1
1 205 . 12 1 1 A 21 21 GLY CA C 81 44.390 44.637 -0.247 1
1 206 . 12 1 1 A 21 21 GLY N N 81 114.000 107.864 6.136 1
1 207 . 12 1 1 A 22 22 ASN H H 82 8.690 8.303 0.387 1
1 208 . 12 1 1 A 22 22 ASN HA H 82 4.650 4.912 -0.262 1
1 213 . 12 1 1 A 22 22 ASN C C 82 176.260 175.392 0.868 1
1 214 . 12 1 1 A 22 22 ASN CA C 82 53.580 53.610 -0.030 1
1 215 . 12 1 1 A 22 22 ASN CB C 82 39.580 40.653 -1.073 1
1 216 . 12 1 1 A 22 22 ASN N N 82 118.160 120.306 -2.146 1
1 218 . 12 1 1 A 23 23 ALA H H 83 8.720 7.703 1.017 1
1 219 . 12 1 1 A 23 23 ALA HA H 83 4.570 4.374 0.196 1
1 223 . 12 1 1 A 23 23 ALA C C 83 175.910 176.769 -0.859 1
1 224 . 12 1 1 A 23 23 ALA CA C 83 52.340 52.439 -0.099 1
1 225 . 12 1 1 A 23 23 ALA CB C 83 19.370 19.974 -0.604 1
1 226 . 12 1 1 A 23 23 ALA N N 83 125.180 122.074 3.106 1
1 227 . 12 1 1 A 24 24 SER H H 84 7.970 8.433 -0.463 1
1 228 . 12 1 1 A 24 24 SER HA H 84 5.310 5.149 0.161 1
1 230 . 12 1 1 A 24 24 SER C C 84 174.620 172.087 2.533 1
1 231 . 12 1 1 A 24 24 SER CA C 84 56.550 57.192 -0.642 1
1 232 . 12 1 1 A 24 24 SER CB C 84 66.420 66.700 -0.280 1
1 233 . 12 1 1 A 24 24 SER N N 84 112.840 115.513 -2.673 1
1 234 . 12 1 1 A 25 25 PHE H H 85 9.580 8.958 0.622 1
1 235 . 12 1 1 A 25 25 PHE HA H 85 4.320 4.841 -0.521 1
1 241 . 12 1 1 A 25 25 PHE C C 85 173.430 174.821 -1.391 1
1 242 . 12 1 1 A 25 25 PHE CA C 85 57.780 56.663 1.117 1
1 243 . 12 1 1 A 25 25 PHE CB C 85 38.780 39.772 -0.992 1
1 247 . 12 1 1 A 25 25 PHE N N 85 125.520 125.508 0.012 1
1 248 . 12 1 1 A 26 26 SER H H 86 6.780 8.362 -1.582 1
1 249 . 12 1 1 A 26 26 SER HA H 86 4.430 4.806 -0.376 1
1 252 . 12 1 1 A 26 26 SER C C 86 174.200 175.189 -0.989 1
1 253 . 12 1 1 A 26 26 SER CA C 86 56.610 55.951 0.659 1
1 254 . 12 1 1 A 26 26 SER CB C 86 66.010 64.741 1.269 1
1 255 . 12 1 1 A 26 26 SER N N 86 118.860 119.383 -0.523 1
1 256 . 12 1 1 A 27 27 LYS H H 87 8.710 8.639 0.071 1
1 257 . 12 1 1 A 27 27 LYS HA H 87 3.850 3.751 0.099 1
1 263 . 12 1 1 A 27 27 LYS C C 87 178.490 178.819 -0.329 1
1 264 . 12 1 1 A 27 27 LYS CA C 87 59.390 59.358 0.032 1
1 265 . 12 1 1 A 27 27 LYS CB C 87 31.970 32.389 -0.419 1
1 269 . 12 1 1 A 27 27 LYS N N 87 121.790 119.173 2.617 1
1 270 . 12 1 1 A 28 28 ARG H H 88 8.010 7.740 0.270 1
1 271 . 12 1 1 A 28 28 ARG HA H 88 3.990 3.999 -0.009 1
1 277 . 12 1 1 A 28 28 ARG C C 88 178.890 178.591 0.299 1
1 278 . 12 1 1 A 28 28 ARG CA C 88 59.010 58.669 0.341 1
1 279 . 12 1 1 A 28 28 ARG CB C 88 30.120 29.897 0.223 1
1 282 . 12 1 1 A 28 28 ARG N N 88 119.520 119.706 -0.186 1
1 283 . 12 1 1 A 29 29 ILE H H 89 7.350 7.504 -0.154 1
1 284 . 12 1 1 A 29 29 ILE HA H 89 3.680 3.640 0.040 1
1 294 . 12 1 1 A 29 29 ILE C C 89 177.620 177.635 -0.015 1
1 295 . 12 1 1 A 29 29 ILE CA C 89 63.170 65.255 -2.085 1
1 296 . 12 1 1 A 29 29 ILE CB C 89 36.900 37.043 -0.143 1
1 300 . 12 1 1 A 29 29 ILE N N 89 121.980 119.677 2.303 1
1 301 . 12 1 1 A 30 30 GLN H H 90 7.990 7.441 0.549 1
1 302 . 12 1 1 A 30 30 GLN HA H 90 3.630 3.975 -0.345 1
1 308 . 12 1 1 A 30 30 GLN C C 90 178.320 178.119 0.201 1
1 309 . 12 1 1 A 30 30 GLN CA C 90 59.200 59.211 -0.011 1
1 310 . 12 1 1 A 30 30 GLN CB C 90 28.700 28.340 0.360 1
1 312 . 12 1 1 A 30 30 GLN N N 90 121.020 120.227 0.793 1
1 314 . 12 1 1 A 31 31 LYS H H 91 7.990 8.212 -0.222 1
1 315 . 12 1 1 A 31 31 LYS HA H 91 4.090 4.028 0.062 1
1 321 . 12 1 1 A 31 31 LYS C C 91 178.650 178.409 0.241 1
1 322 . 12 1 1 A 31 31 LYS CA C 91 58.720 59.329 -0.609 1
1 323 . 12 1 1 A 31 31 LYS CB C 91 32.220 32.151 0.069 1
1 327 . 12 1 1 A 31 31 LYS N N 91 119.520 119.672 -0.152 1
1 328 . 12 1 1 A 32 32 SER H H 92 7.770 7.757 0.013 1
1 329 . 12 1 1 A 32 32 SER HA H 92 4.320 4.121 0.199 1
1 332 . 12 1 1 A 32 32 SER C C 92 176.110 177.340 -1.230 1
1 333 . 12 1 1 A 32 32 SER CA C 92 61.260 61.850 -0.590 1
1 334 . 12 1 1 A 32 32 SER CB C 92 63.610 63.614 -0.004 1
1 335 . 12 1 1 A 32 32 SER N N 92 116.310 113.861 2.449 1
1 336 . 12 1 1 A 33 33 ILE H H 93 7.960 7.928 0.032 1
1 337 . 12 1 1 A 33 33 ILE HA H 93 3.920 3.726 0.194 1
1 347 . 12 1 1 A 33 33 ILE C C 93 177.480 178.035 -0.555 1
1 348 . 12 1 1 A 33 33 ILE CA C 93 63.610 65.088 -1.478 1
1 349 . 12 1 1 A 33 33 ILE CB C 93 38.330 37.551 0.779 1
1 353 . 12 1 1 A 33 33 ILE N N 93 119.950 121.480 -1.530 1
1 354 . 12 1 1 A 34 34 SER H H 94 7.970 8.114 -0.144 1
1 355 . 12 1 1 A 34 34 SER HA H 94 4.390 4.125 0.265 1
1 357 . 12 1 1 A 34 34 SER C C 94 176.490 175.782 0.708 1
1 358 . 12 1 1 A 34 34 SER CA C 94 60.560 61.938 -1.378 1
1 359 . 12 1 1 A 34 34 SER CB C 94 63.130 62.903 0.227 1
1 360 . 12 1 1 A 34 34 SER N N 94 117.230 115.673 1.557 1
1 361 . 12 1 1 A 35 35 GLN H H 95 8.220 8.014 0.206 1
1 362 . 12 1 1 A 35 35 GLN HA H 95 4.260 4.052 0.208 1
1 369 . 12 1 1 A 35 35 GLN C C 95 177.050 178.321 -1.271 1
1 370 . 12 1 1 A 35 35 GLN CA C 95 57.360 58.843 -1.483 1
1 371 . 12 1 1 A 35 35 GLN CB C 95 28.900 28.363 0.537 1
1 373 . 12 1 1 A 35 35 GLN N N 95 121.530 120.736 0.794 1
1 375 . 12 1 1 A 36 36 LYS H H 96 7.870 7.810 0.060 1
1 376 . 12 1 1 A 36 36 LYS HA H 96 4.280 4.210 0.070 1
1 383 . 12 1 1 A 36 36 LYS C C 96 176.160 176.194 -0.034 1
1 384 . 12 1 1 A 36 36 LYS CA C 96 56.570 58.277 -1.707 1
1 385 . 12 1 1 A 36 36 LYS CB C 96 33.600 32.932 0.668 1
1 389 . 12 1 1 A 36 36 LYS N N 96 118.550 116.034 2.516 1
1 390 . 12 1 1 A 37 37 LYS H H 97 8.110 8.734 -0.624 1
1 391 . 12 1 1 A 37 37 LYS HA H 97 4.110 4.052 0.058 1
1 396 . 12 1 1 A 37 37 LYS C C 97 176.210 175.566 0.644 1
1 397 . 12 1 1 A 37 37 LYS CA C 97 57.230 56.952 0.278 1
1 398 . 12 1 1 A 37 37 LYS CB C 97 30.580 31.085 -0.505 1
1 402 . 12 1 1 A 37 37 LYS N N 97 117.680 117.234 0.446 1
1 403 . 12 1 1 A 38 38 VAL H H 98 7.430 7.852 -0.422 1
1 404 . 12 1 1 A 38 38 VAL HA H 98 4.350 4.901 -0.551 1
1 412 . 12 1 1 A 38 38 VAL C C 98 175.830 174.656 1.174 1
1 413 . 12 1 1 A 38 38 VAL CA C 98 60.580 58.659 1.921 1
1 414 . 12 1 1 A 38 38 VAL CB C 98 33.410 35.731 -2.321 1
1 417 . 12 1 1 A 38 38 VAL N N 98 115.860 115.916 -0.056 1
1 418 . 12 1 1 A 39 39 LYS H H 99 8.960 8.378 0.582 1
1 419 . 12 1 1 A 39 39 LYS HA H 99 4.430 4.429 0.001 1
1 425 . 12 1 1 A 39 39 LYS C C 99 175.700 174.447 1.253 1
1 426 . 12 1 1 A 39 39 LYS CA C 99 55.420 56.198 -0.778 1
1 427 . 12 1 1 A 39 39 LYS CB C 99 30.580 30.631 -0.051 1
1 431 . 12 1 1 A 39 39 LYS N N 99 127.710 120.475 7.235 1
1 432 . 12 1 1 A 40 40 ILE H H 100 7.660 7.713 -0.053 1
1 433 . 12 1 1 A 40 40 ILE HA H 100 5.020 4.916 0.104 1
1 443 . 12 1 1 A 40 40 ILE C C 100 174.520 174.864 -0.344 1
1 444 . 12 1 1 A 40 40 ILE CA C 100 59.370 60.402 -1.032 1
1 445 . 12 1 1 A 40 40 ILE CB C 100 40.650 40.683 -0.033 1
1 449 . 12 1 1 A 40 40 ILE N N 100 123.140 122.905 0.235 1
1 450 . 12 1 1 A 41 41 GLU H H 101 8.490 9.045 -0.555 1
1 451 . 12 1 1 A 41 41 GLU HA H 101 4.620 5.012 -0.392 1
1 456 . 12 1 1 A 41 41 GLU C C 101 173.590 174.646 -1.056 1
1 457 . 12 1 1 A 41 41 GLU CA C 101 53.740 54.423 -0.683 1
1 458 . 12 1 1 A 41 41 GLU CB C 101 34.580 33.607 0.973 1
1 460 . 12 1 1 A 41 41 GLU N N 101 123.460 124.365 -0.905 1
1 461 . 12 1 1 A 42 42 LEU H H 102 8.490 8.148 0.342 1
1 462 . 12 1 1 A 42 42 LEU HA H 102 3.790 4.100 -0.310 1
1 472 . 12 1 1 A 42 42 LEU C C 102 176.440 176.061 0.379 1
1 473 . 12 1 1 A 42 42 LEU CA C 102 55.190 55.576 -0.386 1
1 474 . 12 1 1 A 42 42 LEU CB C 102 43.100 42.416 0.684 1
1 478 . 12 1 1 A 42 42 LEU N N 102 123.470 125.317 -1.847 1
1 479 . 12 1 1 A 43 43 ASP H H 103 8.770 8.201 0.569 1
1 480 . 12 1 1 A 43 43 ASP HA H 103 4.520 4.641 -0.121 1
1 483 . 12 1 1 A 43 43 ASP C C 103 177.600 176.753 0.847 1
1 484 . 12 1 1 A 43 43 ASP CA C 103 53.740 54.209 -0.469 1
1 485 . 12 1 1 A 43 43 ASP CB C 103 41.880 41.401 0.479 1
1 486 . 12 1 1 A 43 43 ASP N N 103 127.210 125.727 1.483 1
1 487 . 12 1 1 A 44 44 LYS H H 104 8.910 8.885 0.025 1
1 488 . 12 1 1 A 44 44 LYS HA H 104 3.920 4.301 -0.381 1
1 495 . 12 1 1 A 44 44 LYS C C 104 177.340 177.203 0.137 1
1 496 . 12 1 1 A 44 44 LYS CA C 104 58.930 57.671 1.259 1
1 497 . 12 1 1 A 44 44 LYS CB C 104 32.000 32.212 -0.212 1
1 501 . 12 1 1 A 44 44 LYS N N 104 129.080 127.025 2.055 1
1 502 . 12 1 1 A 45 45 SER H H 105 8.740 7.861 0.879 1
1 503 . 12 1 1 A 45 45 SER HA H 105 4.370 4.558 -0.188 1
1 506 . 12 1 1 A 45 45 SER C C 105 175.040 173.836 1.204 1
1 507 . 12 1 1 A 45 45 SER CA C 105 59.150 58.072 1.078 1
1 508 . 12 1 1 A 45 45 SER CB C 105 63.830 63.548 0.282 1
1 509 . 12 1 1 A 45 45 SER N N 105 115.270 111.799 3.471 1
1 510 . 12 1 1 A 46 46 ALA H H 106 7.430 7.697 -0.267 1
1 511 . 12 1 1 A 46 46 ALA HA H 106 4.150 4.572 -0.422 1
1 515 . 12 1 1 A 46 46 ALA CA C 106 53.300 50.472 2.828 1
1 516 . 12 1 1 A 46 46 ALA CB C 106 19.190 20.984 -1.794 1
1 517 . 12 1 1 A 46 46 ALA N N 106 125.120 123.555 1.565 1
1 518 . 12 1 1 A 47 47 ARG HA H 107 4.280 4.641 -0.361 1
1 526 . 12 1 1 A 48 48 HIS HA H 108 4.650 5.017 -0.367 1
1 531 . 12 1 1 A 48 48 HIS C C 108 173.160 174.134 -0.974 1
1 532 . 12 1 1 A 48 48 HIS CA C 108 54.990 53.930 1.060 1
1 533 . 12 1 1 A 48 48 HIS CB C 108 33.400 32.867 0.533 1
1 538 . 12 1 1 A 49 49 LEU H H 109 8.030 9.128 -1.098 1
1 539 . 12 1 1 A 49 49 LEU HA H 109 5.040 4.611 0.429 1
1 549 . 12 1 1 A 49 49 LEU CA C 109 54.480 53.883 0.597 1
1 550 . 12 1 1 A 49 49 LEU CB C 109 43.010 42.976 0.034 1
1 554 . 12 1 1 A 49 49 LEU N N 109 120.130 120.345 -0.215 1
1 555 . 12 1 1 A 50 50 TYR HA H 110 5.020 5.182 -0.162 1
1 560 . 12 1 1 A 50 50 TYR C C 110 176.960 175.730 1.230 1
1 561 . 12 1 1 A 50 50 TYR CA C 110 60.340 56.836 3.504 1
1 562 . 12 1 1 A 50 50 TYR CB C 110 39.210 41.365 -2.155 1
1 565 . 12 1 1 A 51 51 ILE H H 111 8.510 8.844 -0.334 1
1 566 . 12 1 1 A 51 51 ILE HA H 111 5.960 4.827 1.133 1
1 576 . 12 1 1 A 51 51 ILE C C 111 177.900 176.210 1.690 1
1 577 . 12 1 1 A 51 51 ILE CA C 111 58.100 59.193 -1.093 1
1 578 . 12 1 1 A 51 51 ILE CB C 111 41.370 40.266 1.104 1
1 582 . 12 1 1 A 51 51 ILE N N 111 115.050 119.719 -4.669 1
1 583 . 12 1 1 A 52 52 CYS H H 112 9.830 8.936 0.894 1
1 584 . 12 1 1 A 52 52 CYS HA H 112 5.000 4.987 0.013 1
1 587 . 12 1 1 A 52 52 CYS C C 112 175.420 175.857 -0.437 1
1 588 . 12 1 1 A 52 52 CYS CA C 112 57.770 57.276 0.494 1
1 589 . 12 1 1 A 52 52 CYS CB C 112 33.120 30.193 2.927 1
1 590 . 12 1 1 A 52 52 CYS N N 112 125.820 121.863 3.957 1
1 591 . 12 1 1 A 53 53 ASP H H 113 9.000 8.913 0.087 1
1 592 . 12 1 1 A 53 53 ASP HA H 113 4.510 4.330 0.180 1
1 594 . 12 1 1 A 53 53 ASP C C 113 178.140 178.169 -0.029 1
1 595 . 12 1 1 A 53 53 ASP CA C 113 57.330 57.402 -0.072 1
1 596 . 12 1 1 A 53 53 ASP CB C 113 39.730 40.368 -0.638 1
1 597 . 12 1 1 A 53 53 ASP N N 113 121.960 120.662 1.298 1
1 598 . 12 1 1 A 54 54 TYR H H 114 8.220 8.052 0.168 1
1 599 . 12 1 1 A 54 54 TYR HA H 114 4.100 4.207 -0.107 1
1 604 . 12 1 1 A 54 54 TYR C C 114 178.410 177.175 1.235 1
1 605 . 12 1 1 A 54 54 TYR CA C 114 61.970 61.719 0.251 1
1 606 . 12 1 1 A 54 54 TYR CB C 114 37.150 39.224 -2.074 1
1 609 . 12 1 1 A 54 54 TYR N N 114 123.510 122.350 1.160 1
1 610 . 12 1 1 A 55 55 HIS H H 115 10.090 7.824 2.266 1
1 611 . 12 1 1 A 55 55 HIS HA H 115 4.040 4.098 -0.058 1
1 616 . 12 1 1 A 55 55 HIS C C 115 177.240 177.472 -0.232 1
1 617 . 12 1 1 A 55 55 HIS CA C 115 63.870 59.771 4.099 1
1 618 . 12 1 1 A 55 55 HIS CB C 115 29.600 29.565 0.035 1
1 621 . 12 1 1 A 55 55 HIS N N 115 124.830 116.914 7.916 1
1 624 . 12 1 1 A 56 56 LYS H H 116 8.830 8.250 0.580 1
1 625 . 12 1 1 A 56 56 LYS HA H 116 3.720 3.882 -0.162 1
1 633 . 12 1 1 A 56 56 LYS C C 116 178.140 178.767 -0.627 1
1 634 . 12 1 1 A 56 56 LYS CA C 116 60.590 60.078 0.512 1
1 635 . 12 1 1 A 56 56 LYS CB C 116 32.230 32.290 -0.060 1
1 639 . 12 1 1 A 56 56 LYS N N 116 123.340 120.502 2.838 1
1 640 . 12 1 1 A 57 57 ASN H H 117 8.140 8.326 -0.186 1
1 641 . 12 1 1 A 57 57 ASN HA H 117 4.340 4.489 -0.149 1
1 646 . 12 1 1 A 57 57 ASN C C 117 177.570 177.479 0.091 1
1 647 . 12 1 1 A 57 57 ASN CA C 117 55.890 55.766 0.124 1
1 648 . 12 1 1 A 57 57 ASN CB C 117 38.070 39.107 -1.037 1
1 649 . 12 1 1 A 57 57 ASN N N 117 116.920 118.198 -1.278 1
1 651 . 12 1 1 A 58 58 LEU H H 118 7.890 7.652 0.238 1
1 652 . 12 1 1 A 58 58 LEU HA H 118 3.930 3.999 -0.069 1
1 662 . 12 1 1 A 58 58 LEU C C 118 179.400 178.889 0.511 1
1 663 . 12 1 1 A 58 58 LEU CA C 118 58.420 57.642 0.778 1
1 664 . 12 1 1 A 58 58 LEU CB C 118 43.170 41.517 1.653 1
1 668 . 12 1 1 A 58 58 LEU N N 118 123.590 119.829 3.761 1
1 669 . 12 1 1 A 59 59 ILE H H 119 8.360 7.909 0.451 1
1 670 . 12 1 1 A 59 59 ILE HA H 119 3.470 3.908 -0.438 1
1 680 . 12 1 1 A 59 59 ILE C C 119 177.290 178.018 -0.728 1
1 681 . 12 1 1 A 59 59 ILE CA C 119 65.260 63.996 1.264 1
1 682 . 12 1 1 A 59 59 ILE CB C 119 38.330 37.863 0.467 1
1 686 . 12 1 1 A 59 59 ILE N N 119 118.630 119.183 -0.553 1
1 687 . 12 1 1 A 60 60 GLN H H 120 7.830 8.566 -0.736 1
1 688 . 12 1 1 A 60 60 GLN HA H 120 4.130 4.114 0.016 1
1 694 . 12 1 1 A 60 60 GLN C C 120 177.240 177.427 -0.187 1
1 695 . 12 1 1 A 60 60 GLN CA C 120 57.750 58.849 -1.099 1
1 696 . 12 1 1 A 60 60 GLN CB C 120 28.910 29.003 -0.093 1
1 698 . 12 1 1 A 60 60 GLN N N 120 117.840 120.200 -2.360 1
1 700 . 12 1 1 A 61 61 SER H H 121 7.790 7.665 0.125 1
1 701 . 12 1 1 A 61 61 SER HA H 121 4.300 4.804 -0.504 1
1 703 . 12 1 1 A 61 61 SER C C 121 175.650 174.710 0.940 1
1 704 . 12 1 1 A 61 61 SER CA C 121 60.090 57.963 2.127 1
1 705 . 12 1 1 A 61 61 SER CB C 121 63.570 63.363 0.207 1
1 706 . 12 1 1 A 61 61 SER N N 121 115.460 112.931 2.529 1
1 707 . 12 1 1 A 62 62 VAL H H 122 8.020 7.616 0.404 1
1 708 . 12 1 1 A 62 62 VAL HA H 122 4.020 4.076 -0.056 1
1 716 . 12 1 1 A 62 62 VAL C C 122 176.960 176.635 0.325 1
1 717 . 12 1 1 A 62 62 VAL CA C 122 63.600 63.649 -0.049 1
1 718 . 12 1 1 A 62 62 VAL CB C 122 32.300 33.108 -0.808 1
1 721 . 12 1 1 A 62 62 VAL N N 122 121.600 119.860 1.740 1
1 722 . 12 1 1 A 63 63 ARG H H 123 8.130 7.771 0.359 1
1 723 . 12 1 1 A 63 63 ARG HA H 123 4.190 4.616 -0.426 1
1 729 . 12 1 1 A 63 63 ARG C C 123 176.490 176.767 -0.277 1
1 730 . 12 1 1 A 63 63 ARG CA C 123 57.070 55.279 1.791 1
1 731 . 12 1 1 A 63 63 ARG CB C 123 30.780 29.123 1.657 1
1 734 . 12 1 1 A 63 63 ARG N N 123 122.770 118.240 4.530 1
1 735 . 12 1 1 A 64 64 ASN H H 124 8.210 8.342 -0.132 1
1 736 . 12 1 1 A 64 64 ASN HA H 124 4.650 4.611 0.039 1
1 741 . 12 1 1 A 64 64 ASN C C 124 175.310 175.659 -0.349 1
1 742 . 12 1 1 A 64 64 ASN CA C 124 53.500 52.771 0.729 1
1 743 . 12 1 1 A 64 64 ASN CB C 124 38.840 37.796 1.044 1
1 744 . 12 1 1 A 64 64 ASN N N 124 119.350 118.272 1.078 1
1 746 . 12 1 1 A 65 65 ARG H H 125 8.100 7.886 0.214 1
1 747 . 12 1 1 A 65 65 ARG HA H 125 4.270 4.099 0.171 1
1 752 . 12 1 1 A 65 65 ARG C C 125 176.310 177.285 -0.975 1
1 753 . 12 1 1 A 65 65 ARG CA C 125 56.580 58.491 -1.911 1
1 754 . 12 1 1 A 65 65 ARG CB C 125 30.810 30.862 -0.052 1
1 757 . 12 1 1 A 65 65 ARG N N 125 122.230 121.524 0.706 1
1 758 . 12 1 1 A 66 66 ARG H H 126 8.260 7.672 0.588 1
1 759 . 12 1 1 A 66 66 ARG HA H 126 4.270 4.454 -0.184 1
1 764 . 12 1 1 A 66 66 ARG C C 126 176.210 176.465 -0.255 1
1 765 . 12 1 1 A 66 66 ARG CA C 126 56.190 56.259 -0.069 1
1 766 . 12 1 1 A 66 66 ARG CB C 126 30.810 33.007 -2.197 1
1 769 . 12 1 1 A 66 66 ARG N N 126 122.760 115.703 7.057 1
1 770 . 12 1 1 A 67 67 LYS H H 127 8.270 7.846 0.424 1
1 771 . 12 1 1 A 67 67 LYS HA H 127 4.260 3.899 0.361 1
1 776 . 12 1 1 A 67 67 LYS C C 127 176.450 174.871 1.579 1
1 777 . 12 1 1 A 67 67 LYS CA C 127 56.320 58.005 -1.685 1
1 778 . 12 1 1 A 67 67 LYS CB C 127 33.180 29.946 3.234 1
1 782 . 12 1 1 A 67 67 LYS N N 127 123.620 117.101 6.519 1
1 783 . 12 1 1 A 68 68 ARG H H 128 8.340 7.778 0.562 1
1 784 . 12 1 1 A 68 68 ARG HA H 128 4.270 4.749 -0.479 1
1 788 . 12 1 1 A 68 68 ARG C C 128 176.250 175.761 0.489 1
1 789 . 12 1 1 A 68 68 ARG CA C 128 56.130 54.895 1.235 1
1 790 . 12 1 1 A 68 68 ARG CB C 128 31.060 32.137 -1.077 1
1 793 . 12 1 1 A 68 68 ARG N N 128 123.750 118.058 5.692 1
1 794 . 12 1 1 A 69 69 LYS H H 129 8.450 8.751 -0.301 1
1 795 . 12 1 1 A 69 69 LYS HA H 129 4.250 4.683 -0.433 1
1 800 . 12 1 1 A 69 69 LYS C C 129 177.010 176.086 0.924 1
1 801 . 12 1 1 A 69 69 LYS CA C 129 57.000 55.762 1.238 1
1 802 . 12 1 1 A 69 69 LYS CB C 129 32.940 34.613 -1.673 1
1 806 . 12 1 1 A 69 69 LYS N N 129 124.580 117.431 7.149 1
1 807 . 12 1 1 A 70 70 GLY H H 130 8.500 7.618 0.882 1
1 808 . 12 1 1 A 70 70 GLY HA2 H 130 3.910 4.107 -0.197 1
1 809 . 12 1 1 A 70 70 GLY HA3 H 130 4.010 4.107 -0.097 1
1 810 . 12 1 1 A 70 70 GLY C C 130 173.360 173.777 -0.417 1
1 811 . 12 1 1 A 70 70 GLY CA C 130 45.370 46.169 -0.799 1
1 812 . 12 1 1 A 70 70 GLY N N 130 112.470 107.663 4.807 1
1 6 . 13 1 1 A 2 2 ASN HA H 62 4.610 4.276 0.334 1
1 10 . 13 1 1 A 2 2 ASN C C 62 174.760 174.052 0.708 1
1 11 . 13 1 1 A 2 2 ASN CA C 62 53.100 54.636 -1.536 1
1 12 . 13 1 1 A 2 2 ASN CB C 62 38.790 37.078 1.712 1
1 14 . 13 1 1 A 3 3 ALA H H 63 8.300 7.864 0.436 1
1 15 . 13 1 1 A 3 3 ALA HA H 63 4.200 4.630 -0.430 1
1 19 . 13 1 1 A 3 3 ALA C C 63 178.180 177.501 0.679 1
1 20 . 13 1 1 A 3 3 ALA CA C 63 53.070 51.008 2.062 1
1 21 . 13 1 1 A 3 3 ALA CB C 63 18.960 21.421 -2.461 1
1 22 . 13 1 1 A 3 3 ALA N N 63 125.390 120.285 5.105 1
1 23 . 13 1 1 A 4 4 GLY H H 64 8.340 8.725 -0.385 1
1 24 . 13 1 1 A 4 4 GLY HA2 H 64 3.800 3.839 -0.039 1
1 25 . 13 1 1 A 4 4 GLY HA3 H 64 3.860 3.852 0.008 1
1 26 . 13 1 1 A 4 4 GLY C C 64 174.010 175.323 -1.313 1
1 27 . 13 1 1 A 4 4 GLY CA C 64 45.350 46.490 -1.140 1
1 28 . 13 1 1 A 4 4 GLY N N 64 109.300 110.775 -1.475 1
1 29 . 13 1 1 A 5 5 GLN H H 65 7.950 7.843 0.107 1
1 30 . 13 1 1 A 5 5 GLN HA H 65 4.330 4.309 0.021 1
1 35 . 13 1 1 A 5 5 GLN C C 65 175.560 174.629 0.931 1
1 36 . 13 1 1 A 5 5 GLN CA C 65 55.400 56.026 -0.626 1
1 37 . 13 1 1 A 5 5 GLN CB C 65 29.860 30.265 -0.405 1
1 39 . 13 1 1 A 5 5 GLN N N 65 119.540 118.883 0.657 1
1 41 . 13 1 1 A 6 6 LEU H H 66 8.740 8.526 0.214 1
1 42 . 13 1 1 A 6 6 LEU HA H 66 4.610 5.066 -0.456 1
1 52 . 13 1 1 A 6 6 LEU C C 66 175.750 176.029 -0.279 1
1 53 . 13 1 1 A 6 6 LEU CA C 66 54.010 53.028 0.982 1
1 54 . 13 1 1 A 6 6 LEU CB C 66 43.490 44.433 -0.943 1
1 58 . 13 1 1 A 6 6 LEU N N 66 126.120 120.985 5.135 1
1 59 . 13 1 1 A 7 7 CYS H H 67 8.470 8.595 -0.125 1
1 60 . 13 1 1 A 7 7 CYS HA H 67 4.140 4.384 -0.244 1
1 63 . 13 1 1 A 7 7 CYS C C 67 175.320 176.339 -1.019 1
1 64 . 13 1 1 A 7 7 CYS CA C 67 60.780 59.931 0.849 1
1 65 . 13 1 1 A 7 7 CYS CB C 67 32.850 28.440 4.410 1
1 66 . 13 1 1 A 7 7 CYS N N 67 123.170 124.444 -1.274 1
1 67 . 13 1 1 A 8 8 CYS H H 68 8.170 8.793 -0.623 1
1 68 . 13 1 1 A 8 8 CYS HA H 68 4.280 4.694 -0.414 1
1 72 . 13 1 1 A 8 8 CYS C C 68 172.410 174.172 -1.762 1
1 73 . 13 1 1 A 8 8 CYS CA C 68 58.920 58.677 0.243 1
1 74 . 13 1 1 A 8 8 CYS CB C 68 28.920 27.672 1.248 1
1 75 . 13 1 1 A 8 8 CYS N N 68 124.700 123.407 1.293 1
1 76 . 13 1 1 A 9 9 LEU H H 69 8.180 7.158 1.022 1
1 77 . 13 1 1 A 9 9 LEU HA H 69 4.580 4.647 -0.067 1
1 87 . 13 1 1 A 9 9 LEU C C 69 176.770 175.596 1.174 1
1 88 . 13 1 1 A 9 9 LEU CA C 69 54.760 52.802 1.958 1
1 89 . 13 1 1 A 9 9 LEU CB C 69 43.150 44.600 -1.450 1
1 93 . 13 1 1 A 9 9 LEU N N 69 122.650 122.974 -0.324 1
1 94 . 13 1 1 A 10 10 ARG H H 70 8.880 8.412 0.468 1
1 95 . 13 1 1 A 10 10 ARG HA H 70 4.770 5.317 -0.547 1
1 102 . 13 1 1 A 10 10 ARG C C 70 174.900 173.993 0.907 1
1 103 . 13 1 1 A 10 10 ARG CA C 70 54.710 54.269 0.441 1
1 104 . 13 1 1 A 10 10 ARG CB C 70 33.390 33.038 0.352 1
1 107 . 13 1 1 A 10 10 ARG N N 70 117.650 121.760 -4.110 1
1 108 . 13 1 1 A 11 11 GLU H H 71 8.640 9.062 -0.422 1
1 109 . 13 1 1 A 11 11 GLU HA H 71 5.090 4.883 0.207 1
1 113 . 13 1 1 A 11 11 GLU C C 71 176.070 175.401 0.669 1
1 114 . 13 1 1 A 11 11 GLU CA C 71 54.270 55.028 -0.758 1
1 115 . 13 1 1 A 11 11 GLU CB C 71 32.460 31.099 1.361 1
1 117 . 13 1 1 A 11 11 GLU N N 71 123.910 125.343 -1.433 1
1 118 . 13 1 1 A 12 12 ASP H H 72 9.510 9.358 0.152 1
1 119 . 13 1 1 A 12 12 ASP HA H 72 4.270 4.375 -0.105 1
1 122 . 13 1 1 A 12 12 ASP C C 72 175.890 176.202 -0.312 1
1 123 . 13 1 1 A 12 12 ASP CA C 72 55.880 55.350 0.530 1
1 124 . 13 1 1 A 12 12 ASP CB C 72 39.910 39.180 0.730 1
1 125 . 13 1 1 A 12 12 ASP N N 72 129.440 128.206 1.234 1
1 126 . 13 1 1 A 13 13 GLY H H 73 8.970 8.339 0.631 1
1 127 . 13 1 1 A 13 13 GLY HA2 H 73 3.520 4.043 -0.523 1
1 128 . 13 1 1 A 13 13 GLY HA3 H 73 4.200 4.046 0.154 1
1 129 . 13 1 1 A 13 13 GLY C C 73 173.960 174.516 -0.556 1
1 130 . 13 1 1 A 13 13 GLY CA C 73 45.350 45.090 0.260 1
1 131 . 13 1 1 A 13 13 GLY N N 73 103.500 105.135 -1.635 1
1 132 . 13 1 1 A 14 14 GLU H H 74 7.660 7.673 -0.013 1
1 133 . 13 1 1 A 14 14 GLU HA H 74 4.640 4.429 0.211 1
1 138 . 13 1 1 A 14 14 GLU C C 74 176.170 176.674 -0.504 1
1 139 . 13 1 1 A 14 14 GLU CA C 74 54.460 55.881 -1.421 1
1 140 . 13 1 1 A 14 14 GLU CB C 74 32.050 30.512 1.538 1
1 142 . 13 1 1 A 14 14 GLU N N 74 121.330 120.656 0.674 1
1 143 . 13 1 1 A 15 15 ARG H H 75 9.000 8.815 0.185 1
1 144 . 13 1 1 A 15 15 ARG HA H 75 4.120 4.370 -0.250 1
1 150 . 13 1 1 A 15 15 ARG C C 75 175.230 176.009 -0.779 1
1 151 . 13 1 1 A 15 15 ARG CA C 75 56.640 55.195 1.445 1
1 152 . 13 1 1 A 15 15 ARG CB C 75 29.720 28.558 1.162 1
1 155 . 13 1 1 A 15 15 ARG N N 75 127.990 124.859 3.131 1
1 156 . 13 1 1 A 16 16 CYS H H 76 8.870 8.752 0.118 1
1 157 . 13 1 1 A 16 16 CYS HA H 76 4.170 4.345 -0.175 1
1 160 . 13 1 1 A 16 16 CYS CA C 76 61.840 61.069 0.771 1
1 161 . 13 1 1 A 16 16 CYS CB C 76 31.150 28.134 3.016 1
1 162 . 13 1 1 A 16 16 CYS N N 76 131.840 118.500 13.340 1
1 163 . 13 1 1 A 17 17 GLY H H 77 8.530 8.548 -0.018 1
1 164 . 13 1 1 A 17 17 GLY HA2 H 77 3.680 3.960 -0.280 1
1 165 . 13 1 1 A 17 17 GLY HA3 H 77 4.340 3.980 0.360 1
1 166 . 13 1 1 A 17 17 GLY C C 77 174.620 174.293 0.327 1
1 167 . 13 1 1 A 17 17 GLY CA C 77 45.110 45.044 0.066 1
1 168 . 13 1 1 A 17 17 GLY N N 77 111.930 108.713 3.217 1
1 169 . 13 1 1 A 18 18 ARG H H 78 8.960 7.842 1.118 1
1 170 . 13 1 1 A 18 18 ARG HA H 78 4.290 4.316 -0.026 1
1 177 . 13 1 1 A 18 18 ARG C C 78 175.270 176.021 -0.751 1
1 178 . 13 1 1 A 18 18 ARG CA C 78 56.350 55.761 0.589 1
1 179 . 13 1 1 A 18 18 ARG CB C 78 31.310 31.238 0.072 1
1 182 . 13 1 1 A 18 18 ARG N N 78 124.390 122.555 1.835 1
1 183 . 13 1 1 A 19 19 ALA H H 79 8.340 8.371 -0.031 1
1 184 . 13 1 1 A 19 19 ALA HA H 79 4.170 4.272 -0.102 1
1 188 . 13 1 1 A 19 19 ALA C C 79 177.620 177.369 0.251 1
1 189 . 13 1 1 A 19 19 ALA CA C 79 52.710 52.135 0.575 1
1 190 . 13 1 1 A 19 19 ALA CB C 79 18.710 19.090 -0.380 1
1 191 . 13 1 1 A 19 19 ALA N N 79 123.880 127.388 -3.508 1
1 192 . 13 1 1 A 20 20 ALA H H 80 8.470 9.033 -0.563 1
1 193 . 13 1 1 A 20 20 ALA HA H 80 3.540 4.574 -1.034 1
1 197 . 13 1 1 A 20 20 ALA C C 80 177.560 177.495 0.065 1
1 198 . 13 1 1 A 20 20 ALA CA C 80 52.840 51.973 0.867 1
1 199 . 13 1 1 A 20 20 ALA CB C 80 19.050 19.602 -0.552 1
1 200 . 13 1 1 A 20 20 ALA N N 80 124.580 122.713 1.867 1
1 201 . 13 1 1 A 21 21 GLY H H 81 8.090 8.413 -0.323 1
1 202 . 13 1 1 A 21 21 GLY HA2 H 81 3.800 4.102 -0.302 1
1 203 . 13 1 1 A 21 21 GLY HA3 H 81 4.430 4.137 0.293 1
1 204 . 13 1 1 A 21 21 GLY C C 81 173.170 174.216 -1.046 1
1 205 . 13 1 1 A 21 21 GLY CA C 81 44.390 44.805 -0.415 1
1 206 . 13 1 1 A 21 21 GLY N N 81 114.000 107.460 6.540 1
1 207 . 13 1 1 A 22 22 ASN H H 82 8.690 8.227 0.463 1
1 208 . 13 1 1 A 22 22 ASN HA H 82 4.650 4.817 -0.167 1
1 213 . 13 1 1 A 22 22 ASN C C 82 176.260 175.886 0.374 1
1 214 . 13 1 1 A 22 22 ASN CA C 82 53.580 53.844 -0.264 1
1 215 . 13 1 1 A 22 22 ASN CB C 82 39.580 40.069 -0.489 1
1 216 . 13 1 1 A 22 22 ASN N N 82 118.160 121.115 -2.955 1
1 218 . 13 1 1 A 23 23 ALA H H 83 8.720 7.648 1.072 1
1 219 . 13 1 1 A 23 23 ALA HA H 83 4.570 4.292 0.278 1
1 223 . 13 1 1 A 23 23 ALA C C 83 175.910 177.502 -1.592 1
1 224 . 13 1 1 A 23 23 ALA CA C 83 52.340 53.155 -0.815 1
1 225 . 13 1 1 A 23 23 ALA CB C 83 19.370 19.113 0.257 1
1 226 . 13 1 1 A 23 23 ALA N N 83 125.180 122.601 2.579 1
1 227 . 13 1 1 A 24 24 SER H H 84 7.970 8.639 -0.669 1
1 228 . 13 1 1 A 24 24 SER HA H 84 5.310 5.376 -0.066 1
1 230 . 13 1 1 A 24 24 SER C C 84 174.620 173.304 1.316 1
1 231 . 13 1 1 A 24 24 SER CA C 84 56.550 55.978 0.572 1
1 232 . 13 1 1 A 24 24 SER CB C 84 66.420 65.688 0.732 1
1 233 . 13 1 1 A 24 24 SER N N 84 112.840 113.574 -0.734 1
1 234 . 13 1 1 A 25 25 PHE H H 85 9.580 8.952 0.628 1
1 235 . 13 1 1 A 25 25 PHE HA H 85 4.320 4.590 -0.270 1
1 241 . 13 1 1 A 25 25 PHE C C 85 173.430 175.084 -1.654 1
1 242 . 13 1 1 A 25 25 PHE CA C 85 57.780 59.658 -1.878 1
1 243 . 13 1 1 A 25 25 PHE CB C 85 38.780 39.699 -0.919 1
1 247 . 13 1 1 A 25 25 PHE N N 85 125.520 125.662 -0.142 1
1 248 . 13 1 1 A 26 26 SER H H 86 6.780 8.176 -1.396 1
1 249 . 13 1 1 A 26 26 SER HA H 86 4.430 4.882 -0.452 1
1 252 . 13 1 1 A 26 26 SER C C 86 174.200 174.764 -0.564 1
1 253 . 13 1 1 A 26 26 SER CA C 86 56.610 56.004 0.606 1
1 254 . 13 1 1 A 26 26 SER CB C 86 66.010 66.052 -0.042 1
1 255 . 13 1 1 A 26 26 SER N N 86 118.860 118.677 0.183 1
1 256 . 13 1 1 A 27 27 LYS H H 87 8.710 8.660 0.050 1
1 257 . 13 1 1 A 27 27 LYS HA H 87 3.850 3.818 0.032 1
1 263 . 13 1 1 A 27 27 LYS C C 87 178.490 178.784 -0.294 1
1 264 . 13 1 1 A 27 27 LYS CA C 87 59.390 59.168 0.222 1
1 265 . 13 1 1 A 27 27 LYS CB C 87 31.970 32.749 -0.779 1
1 269 . 13 1 1 A 27 27 LYS N N 87 121.790 119.359 2.431 1
1 270 . 13 1 1 A 28 28 ARG H H 88 8.010 7.739 0.271 1
1 271 . 13 1 1 A 28 28 ARG HA H 88 3.990 3.999 -0.009 1
1 277 . 13 1 1 A 28 28 ARG C C 88 178.890 178.799 0.091 1
1 278 . 13 1 1 A 28 28 ARG CA C 88 59.010 58.602 0.408 1
1 279 . 13 1 1 A 28 28 ARG CB C 88 30.120 29.716 0.404 1
1 282 . 13 1 1 A 28 28 ARG N N 88 119.520 119.657 -0.137 1
1 283 . 13 1 1 A 29 29 ILE H H 89 7.350 8.049 -0.699 1
1 284 . 13 1 1 A 29 29 ILE HA H 89 3.680 3.654 0.026 1
1 294 . 13 1 1 A 29 29 ILE C C 89 177.620 177.960 -0.340 1
1 295 . 13 1 1 A 29 29 ILE CA C 89 63.170 65.031 -1.861 1
1 296 . 13 1 1 A 29 29 ILE CB C 89 36.900 36.971 -0.071 1
1 300 . 13 1 1 A 29 29 ILE N N 89 121.980 119.924 2.056 1
1 301 . 13 1 1 A 30 30 GLN H H 90 7.990 7.560 0.430 1
1 302 . 13 1 1 A 30 30 GLN HA H 90 3.630 3.970 -0.340 1
1 308 . 13 1 1 A 30 30 GLN C C 90 178.320 178.511 -0.191 1
1 309 . 13 1 1 A 30 30 GLN CA C 90 59.200 59.270 -0.070 1
1 310 . 13 1 1 A 30 30 GLN CB C 90 28.700 28.059 0.641 1
1 312 . 13 1 1 A 30 30 GLN N N 90 121.020 120.728 0.292 1
1 314 . 13 1 1 A 31 31 LYS H H 91 7.990 8.285 -0.295 1
1 315 . 13 1 1 A 31 31 LYS HA H 91 4.090 4.027 0.063 1
1 321 . 13 1 1 A 31 31 LYS C C 91 178.650 179.227 -0.577 1
1 322 . 13 1 1 A 31 31 LYS CA C 91 58.720 59.157 -0.437 1
1 323 . 13 1 1 A 31 31 LYS CB C 91 32.220 31.931 0.289 1
1 327 . 13 1 1 A 31 31 LYS N N 91 119.520 118.693 0.827 1
1 328 . 13 1 1 A 32 32 SER H H 92 7.770 8.163 -0.393 1
1 329 . 13 1 1 A 32 32 SER HA H 92 4.320 4.149 0.171 1
1 332 . 13 1 1 A 32 32 SER C C 92 176.110 176.046 0.064 1
1 333 . 13 1 1 A 32 32 SER CA C 92 61.260 62.303 -1.043 1
1 334 . 13 1 1 A 32 32 SER CB C 92 63.610 63.190 0.420 1
1 335 . 13 1 1 A 32 32 SER N N 92 116.310 116.645 -0.335 1
1 336 . 13 1 1 A 33 33 ILE H H 93 7.960 8.094 -0.134 1
1 337 . 13 1 1 A 33 33 ILE HA H 93 3.920 3.811 0.109 1
1 347 . 13 1 1 A 33 33 ILE C C 93 177.480 178.216 -0.736 1
1 348 . 13 1 1 A 33 33 ILE CA C 93 63.610 65.275 -1.665 1
1 349 . 13 1 1 A 33 33 ILE CB C 93 38.330 37.395 0.935 1
1 353 . 13 1 1 A 33 33 ILE N N 93 119.950 121.861 -1.911 1
1 354 . 13 1 1 A 34 34 SER H H 94 7.970 8.194 -0.224 1
1 355 . 13 1 1 A 34 34 SER HA H 94 4.390 4.023 0.367 1
1 357 . 13 1 1 A 34 34 SER C C 94 176.490 177.286 -0.796 1
1 358 . 13 1 1 A 34 34 SER CA C 94 60.560 61.533 -0.973 1
1 359 . 13 1 1 A 34 34 SER CB C 94 63.130 62.873 0.257 1
1 360 . 13 1 1 A 34 34 SER N N 94 117.230 115.738 1.492 1
1 361 . 13 1 1 A 35 35 GLN H H 95 8.220 7.999 0.221 1
1 362 . 13 1 1 A 35 35 GLN HA H 95 4.260 4.005 0.255 1
1 369 . 13 1 1 A 35 35 GLN C C 95 177.050 178.488 -1.438 1
1 370 . 13 1 1 A 35 35 GLN CA C 95 57.360 59.244 -1.884 1
1 371 . 13 1 1 A 35 35 GLN CB C 95 28.900 28.660 0.240 1
1 373 . 13 1 1 A 35 35 GLN N N 95 121.530 120.908 0.622 1
1 375 . 13 1 1 A 36 36 LYS H H 96 7.870 7.938 -0.068 1
1 376 . 13 1 1 A 36 36 LYS HA H 96 4.280 4.130 0.150 1
1 383 . 13 1 1 A 36 36 LYS C C 96 176.160 176.680 -0.520 1
1 384 . 13 1 1 A 36 36 LYS CA C 96 56.570 59.081 -2.511 1
1 385 . 13 1 1 A 36 36 LYS CB C 96 33.600 32.592 1.008 1
1 389 . 13 1 1 A 36 36 LYS N N 96 118.550 117.535 1.015 1
1 390 . 13 1 1 A 37 37 LYS H H 97 8.110 8.639 -0.529 1
1 391 . 13 1 1 A 37 37 LYS HA H 97 4.110 3.967 0.143 1
1 396 . 13 1 1 A 37 37 LYS C C 97 176.210 175.226 0.984 1
1 397 . 13 1 1 A 37 37 LYS CA C 97 57.230 57.134 0.096 1
1 398 . 13 1 1 A 37 37 LYS CB C 97 30.580 30.981 -0.401 1
1 402 . 13 1 1 A 37 37 LYS N N 97 117.680 119.245 -1.565 1
1 403 . 13 1 1 A 38 38 VAL H H 98 7.430 7.827 -0.397 1
1 404 . 13 1 1 A 38 38 VAL HA H 98 4.350 4.885 -0.535 1
1 412 . 13 1 1 A 38 38 VAL C C 98 175.830 174.866 0.964 1
1 413 . 13 1 1 A 38 38 VAL CA C 98 60.580 58.650 1.930 1
1 414 . 13 1 1 A 38 38 VAL CB C 98 33.410 34.896 -1.486 1
1 417 . 13 1 1 A 38 38 VAL N N 98 115.860 115.248 0.612 1
1 418 . 13 1 1 A 39 39 LYS H H 99 8.960 8.466 0.494 1
1 419 . 13 1 1 A 39 39 LYS HA H 99 4.430 4.396 0.034 1
1 425 . 13 1 1 A 39 39 LYS C C 99 175.700 174.602 1.098 1
1 426 . 13 1 1 A 39 39 LYS CA C 99 55.420 56.264 -0.844 1
1 427 . 13 1 1 A 39 39 LYS CB C 99 30.580 30.661 -0.081 1
1 431 . 13 1 1 A 39 39 LYS N N 99 127.710 119.978 7.732 1
1 432 . 13 1 1 A 40 40 ILE H H 100 7.660 8.019 -0.359 1
1 433 . 13 1 1 A 40 40 ILE HA H 100 5.020 5.242 -0.222 1
1 443 . 13 1 1 A 40 40 ILE C C 100 174.520 174.938 -0.418 1
1 444 . 13 1 1 A 40 40 ILE CA C 100 59.370 60.499 -1.129 1
1 445 . 13 1 1 A 40 40 ILE CB C 100 40.650 41.102 -0.452 1
1 449 . 13 1 1 A 40 40 ILE N N 100 123.140 122.096 1.044 1
1 450 . 13 1 1 A 41 41 GLU H H 101 8.490 9.102 -0.612 1
1 451 . 13 1 1 A 41 41 GLU HA H 101 4.620 4.951 -0.331 1
1 456 . 13 1 1 A 41 41 GLU C C 101 173.590 174.360 -0.770 1
1 457 . 13 1 1 A 41 41 GLU CA C 101 53.740 54.315 -0.575 1
1 458 . 13 1 1 A 41 41 GLU CB C 101 34.580 33.448 1.132 1
1 460 . 13 1 1 A 41 41 GLU N N 101 123.460 124.548 -1.088 1
1 461 . 13 1 1 A 42 42 LEU H H 102 8.490 8.265 0.225 1
1 462 . 13 1 1 A 42 42 LEU HA H 102 3.790 4.446 -0.656 1
1 472 . 13 1 1 A 42 42 LEU C C 102 176.440 175.982 0.458 1
1 473 . 13 1 1 A 42 42 LEU CA C 102 55.190 54.248 0.942 1
1 474 . 13 1 1 A 42 42 LEU CB C 102 43.100 43.678 -0.578 1
1 478 . 13 1 1 A 42 42 LEU N N 102 123.470 123.575 -0.105 1
1 479 . 13 1 1 A 43 43 ASP H H 103 8.770 8.096 0.674 1
1 480 . 13 1 1 A 43 43 ASP HA H 103 4.520 4.610 -0.090 1
1 483 . 13 1 1 A 43 43 ASP C C 103 177.600 175.838 1.762 1
1 484 . 13 1 1 A 43 43 ASP CA C 103 53.740 54.510 -0.770 1
1 485 . 13 1 1 A 43 43 ASP CB C 103 41.880 42.293 -0.413 1
1 486 . 13 1 1 A 43 43 ASP N N 103 127.210 125.783 1.427 1
1 487 . 13 1 1 A 44 44 LYS H H 104 8.910 8.908 0.002 1
1 488 . 13 1 1 A 44 44 LYS HA H 104 3.920 4.366 -0.446 1
1 495 . 13 1 1 A 44 44 LYS C C 104 177.340 178.173 -0.833 1
1 496 . 13 1 1 A 44 44 LYS CA C 104 58.930 56.751 2.179 1
1 497 . 13 1 1 A 44 44 LYS CB C 104 32.000 32.811 -0.811 1
1 501 . 13 1 1 A 44 44 LYS N N 104 129.080 126.376 2.704 1
1 502 . 13 1 1 A 45 45 SER H H 105 8.740 8.102 0.638 1
1 503 . 13 1 1 A 45 45 SER HA H 105 4.370 4.191 0.179 1
1 506 . 13 1 1 A 45 45 SER C C 105 175.040 175.169 -0.129 1
1 507 . 13 1 1 A 45 45 SER CA C 105 59.150 60.928 -1.778 1
1 508 . 13 1 1 A 45 45 SER CB C 105 63.830 63.084 0.746 1
1 509 . 13 1 1 A 45 45 SER N N 105 115.270 115.046 0.224 1
1 510 . 13 1 1 A 46 46 ALA H H 106 7.430 7.614 -0.184 1
1 511 . 13 1 1 A 46 46 ALA HA H 106 4.150 4.354 -0.204 1
1 515 . 13 1 1 A 46 46 ALA CA C 106 53.300 51.039 2.261 1
1 516 . 13 1 1 A 46 46 ALA CB C 106 19.190 19.915 -0.725 1
1 517 . 13 1 1 A 46 46 ALA N N 106 125.120 122.470 2.650 1
1 518 . 13 1 1 A 47 47 ARG HA H 107 4.280 4.433 -0.153 1
1 526 . 13 1 1 A 48 48 HIS HA H 108 4.650 4.543 0.107 1
1 531 . 13 1 1 A 48 48 HIS C C 108 173.160 175.161 -2.001 1
1 532 . 13 1 1 A 48 48 HIS CA C 108 54.990 55.894 -0.904 1
1 533 . 13 1 1 A 48 48 HIS CB C 108 33.400 31.162 2.238 1
1 538 . 13 1 1 A 49 49 LEU H H 109 8.030 8.560 -0.530 1
1 539 . 13 1 1 A 49 49 LEU HA H 109 5.040 4.561 0.479 1
1 549 . 13 1 1 A 49 49 LEU CA C 109 54.480 53.504 0.976 1
1 550 . 13 1 1 A 49 49 LEU CB C 109 43.010 41.591 1.419 1
1 554 . 13 1 1 A 49 49 LEU N N 109 120.130 121.557 -1.427 1
1 555 . 13 1 1 A 50 50 TYR HA H 110 5.020 5.216 -0.196 1
1 560 . 13 1 1 A 50 50 TYR C C 110 176.960 175.477 1.483 1
1 561 . 13 1 1 A 50 50 TYR CA C 110 60.340 56.542 3.798 1
1 562 . 13 1 1 A 50 50 TYR CB C 110 39.210 41.443 -2.233 1
1 565 . 13 1 1 A 51 51 ILE H H 111 8.510 8.794 -0.284 1
1 566 . 13 1 1 A 51 51 ILE HA H 111 5.960 5.060 0.900 1
1 576 . 13 1 1 A 51 51 ILE C C 111 177.900 176.030 1.870 1
1 577 . 13 1 1 A 51 51 ILE CA C 111 58.100 59.293 -1.193 1
1 578 . 13 1 1 A 51 51 ILE CB C 111 41.370 40.806 0.564 1
1 582 . 13 1 1 A 51 51 ILE N N 111 115.050 118.923 -3.873 1
1 583 . 13 1 1 A 52 52 CYS H H 112 9.830 8.786 1.044 1
1 584 . 13 1 1 A 52 52 CYS HA H 112 5.000 4.824 0.176 1
1 587 . 13 1 1 A 52 52 CYS C C 112 175.420 175.729 -0.309 1
1 588 . 13 1 1 A 52 52 CYS CA C 112 57.770 57.802 -0.032 1
1 589 . 13 1 1 A 52 52 CYS CB C 112 33.120 29.748 3.372 1
1 590 . 13 1 1 A 52 52 CYS N N 112 125.820 121.769 4.051 1
1 591 . 13 1 1 A 53 53 ASP H H 113 9.000 8.927 0.073 1
1 592 . 13 1 1 A 53 53 ASP HA H 113 4.510 4.362 0.148 1
1 594 . 13 1 1 A 53 53 ASP C C 113 178.140 178.040 0.100 1
1 595 . 13 1 1 A 53 53 ASP CA C 113 57.330 57.212 0.118 1
1 596 . 13 1 1 A 53 53 ASP CB C 113 39.730 40.600 -0.870 1
1 597 . 13 1 1 A 53 53 ASP N N 113 121.960 120.236 1.724 1
1 598 . 13 1 1 A 54 54 TYR H H 114 8.220 8.136 0.084 1
1 599 . 13 1 1 A 54 54 TYR HA H 114 4.100 4.132 -0.032 1
1 604 . 13 1 1 A 54 54 TYR C C 114 178.410 177.207 1.203 1
1 605 . 13 1 1 A 54 54 TYR CA C 114 61.970 61.695 0.275 1
1 606 . 13 1 1 A 54 54 TYR CB C 114 37.150 38.695 -1.545 1
1 609 . 13 1 1 A 54 54 TYR N N 114 123.510 122.543 0.967 1
1 610 . 13 1 1 A 55 55 HIS H H 115 10.090 7.722 2.368 1
1 611 . 13 1 1 A 55 55 HIS HA H 115 4.040 4.003 0.037 1
1 616 . 13 1 1 A 55 55 HIS C C 115 177.240 177.391 -0.151 1
1 617 . 13 1 1 A 55 55 HIS CA C 115 63.870 59.625 4.245 1
1 618 . 13 1 1 A 55 55 HIS CB C 115 29.600 29.875 -0.275 1
1 621 . 13 1 1 A 55 55 HIS N N 115 124.830 117.032 7.798 1
1 624 . 13 1 1 A 56 56 LYS H H 116 8.830 8.103 0.727 1
1 625 . 13 1 1 A 56 56 LYS HA H 116 3.720 3.885 -0.165 1
1 633 . 13 1 1 A 56 56 LYS C C 116 178.140 178.917 -0.777 1
1 634 . 13 1 1 A 56 56 LYS CA C 116 60.590 59.964 0.626 1
1 635 . 13 1 1 A 56 56 LYS CB C 116 32.230 32.420 -0.190 1
1 639 . 13 1 1 A 56 56 LYS N N 116 123.340 120.479 2.861 1
1 640 . 13 1 1 A 57 57 ASN H H 117 8.140 8.086 0.054 1
1 641 . 13 1 1 A 57 57 ASN HA H 117 4.340 4.504 -0.164 1
1 646 . 13 1 1 A 57 57 ASN C C 117 177.570 177.522 0.048 1
1 647 . 13 1 1 A 57 57 ASN CA C 117 55.890 56.209 -0.319 1
1 648 . 13 1 1 A 57 57 ASN CB C 117 38.070 38.633 -0.563 1
1 649 . 13 1 1 A 57 57 ASN N N 117 116.920 118.307 -1.387 1
1 651 . 13 1 1 A 58 58 LEU H H 118 7.890 7.672 0.218 1
1 652 . 13 1 1 A 58 58 LEU HA H 118 3.930 3.979 -0.049 1
1 662 . 13 1 1 A 58 58 LEU C C 118 179.400 178.580 0.820 1
1 663 . 13 1 1 A 58 58 LEU CA C 118 58.420 57.767 0.653 1
1 664 . 13 1 1 A 58 58 LEU CB C 118 43.170 41.515 1.655 1
1 668 . 13 1 1 A 58 58 LEU N N 118 123.590 120.080 3.510 1
1 669 . 13 1 1 A 59 59 ILE H H 119 8.360 7.630 0.730 1
1 670 . 13 1 1 A 59 59 ILE HA H 119 3.470 3.956 -0.486 1
1 680 . 13 1 1 A 59 59 ILE C C 119 177.290 178.036 -0.746 1
1 681 . 13 1 1 A 59 59 ILE CA C 119 65.260 63.882 1.378 1
1 682 . 13 1 1 A 59 59 ILE CB C 119 38.330 38.009 0.321 1
1 686 . 13 1 1 A 59 59 ILE N N 119 118.630 118.753 -0.123 1
1 687 . 13 1 1 A 60 60 GLN H H 120 7.830 8.283 -0.453 1
1 688 . 13 1 1 A 60 60 GLN HA H 120 4.130 3.939 0.191 1
1 694 . 13 1 1 A 60 60 GLN C C 120 177.240 178.126 -0.886 1
1 695 . 13 1 1 A 60 60 GLN CA C 120 57.750 59.020 -1.270 1
1 696 . 13 1 1 A 60 60 GLN CB C 120 28.910 28.263 0.647 1
1 698 . 13 1 1 A 60 60 GLN N N 120 117.840 120.031 -2.191 1
1 700 . 13 1 1 A 61 61 SER H H 121 7.790 7.624 0.166 1
1 701 . 13 1 1 A 61 61 SER HA H 121 4.300 4.910 -0.610 1
1 703 . 13 1 1 A 61 61 SER C C 121 175.650 174.646 1.004 1
1 704 . 13 1 1 A 61 61 SER CA C 121 60.090 58.568 1.522 1
1 705 . 13 1 1 A 61 61 SER CB C 121 63.570 62.747 0.823 1
1 706 . 13 1 1 A 61 61 SER N N 121 115.460 114.932 0.528 1
1 707 . 13 1 1 A 62 62 VAL H H 122 8.020 7.175 0.845 1
1 708 . 13 1 1 A 62 62 VAL HA H 122 4.020 3.960 0.060 1
1 716 . 13 1 1 A 62 62 VAL C C 122 176.960 177.285 -0.325 1
1 717 . 13 1 1 A 62 62 VAL CA C 122 63.600 64.027 -0.427 1
1 718 . 13 1 1 A 62 62 VAL CB C 122 32.300 32.794 -0.494 1
1 721 . 13 1 1 A 62 62 VAL N N 122 121.600 120.512 1.088 1
1 722 . 13 1 1 A 63 63 ARG H H 123 8.130 7.856 0.274 1
1 723 . 13 1 1 A 63 63 ARG HA H 123 4.190 4.416 -0.226 1
1 729 . 13 1 1 A 63 63 ARG C C 123 176.490 175.499 0.991 1
1 730 . 13 1 1 A 63 63 ARG CA C 123 57.070 55.480 1.590 1
1 731 . 13 1 1 A 63 63 ARG CB C 123 30.780 30.497 0.283 1
1 734 . 13 1 1 A 63 63 ARG N N 123 122.770 118.022 4.748 1
1 735 . 13 1 1 A 64 64 ASN H H 124 8.210 7.886 0.324 1
1 736 . 13 1 1 A 64 64 ASN HA H 124 4.650 5.078 -0.428 1
1 741 . 13 1 1 A 64 64 ASN C C 124 175.310 175.426 -0.116 1
1 742 . 13 1 1 A 64 64 ASN CA C 124 53.500 52.083 1.417 1
1 743 . 13 1 1 A 64 64 ASN CB C 124 38.840 39.131 -0.291 1
1 744 . 13 1 1 A 64 64 ASN N N 124 119.350 118.281 1.069 1
1 746 . 13 1 1 A 65 65 ARG H H 125 8.100 8.435 -0.335 1
1 747 . 13 1 1 A 65 65 ARG HA H 125 4.270 3.899 0.371 1
1 752 . 13 1 1 A 65 65 ARG C C 125 176.310 177.177 -0.867 1
1 753 . 13 1 1 A 65 65 ARG CA C 125 56.580 59.521 -2.941 1
1 754 . 13 1 1 A 65 65 ARG CB C 125 30.810 30.236 0.574 1
1 757 . 13 1 1 A 65 65 ARG N N 125 122.230 125.181 -2.951 1
1 758 . 13 1 1 A 66 66 ARG H H 126 8.260 7.655 0.605 1
1 759 . 13 1 1 A 66 66 ARG HA H 126 4.270 4.543 -0.273 1
1 764 . 13 1 1 A 66 66 ARG C C 126 176.210 175.546 0.664 1
1 765 . 13 1 1 A 66 66 ARG CA C 126 56.190 54.791 1.399 1
1 766 . 13 1 1 A 66 66 ARG CB C 126 30.810 30.666 0.144 1
1 769 . 13 1 1 A 66 66 ARG N N 126 122.760 116.220 6.540 1
1 770 . 13 1 1 A 67 67 LYS H H 127 8.270 7.982 0.288 1
1 771 . 13 1 1 A 67 67 LYS HA H 127 4.260 4.002 0.258 1
1 776 . 13 1 1 A 67 67 LYS C C 127 176.450 177.248 -0.798 1
1 777 . 13 1 1 A 67 67 LYS CA C 127 56.320 57.155 -0.835 1
1 778 . 13 1 1 A 67 67 LYS CB C 127 33.180 30.961 2.219 1
1 782 . 13 1 1 A 67 67 LYS N N 127 123.620 118.053 5.567 1
1 783 . 13 1 1 A 68 68 ARG H H 128 8.340 8.076 0.264 1
1 784 . 13 1 1 A 68 68 ARG HA H 128 4.270 4.434 -0.164 1
1 788 . 13 1 1 A 68 68 ARG C C 128 176.250 175.975 0.275 1
1 789 . 13 1 1 A 68 68 ARG CA C 128 56.130 55.416 0.714 1
1 790 . 13 1 1 A 68 68 ARG CB C 128 31.060 30.350 0.710 1
1 793 . 13 1 1 A 68 68 ARG N N 128 123.750 119.556 4.194 1
1 794 . 13 1 1 A 69 69 LYS H H 129 8.450 8.188 0.262 1
1 795 . 13 1 1 A 69 69 LYS HA H 129 4.250 4.202 0.048 1
1 800 . 13 1 1 A 69 69 LYS C C 129 177.010 176.346 0.664 1
1 801 . 13 1 1 A 69 69 LYS CA C 129 57.000 58.354 -1.354 1
1 802 . 13 1 1 A 69 69 LYS CB C 129 32.940 32.092 0.848 1
1 806 . 13 1 1 A 69 69 LYS N N 129 124.580 119.951 4.629 1
1 807 . 13 1 1 A 70 70 GLY H H 130 8.500 8.009 0.491 1
1 808 . 13 1 1 A 70 70 GLY HA2 H 130 3.910 4.093 -0.183 1
1 809 . 13 1 1 A 70 70 GLY HA3 H 130 4.010 4.094 -0.084 1
1 810 . 13 1 1 A 70 70 GLY C C 130 173.360 174.049 -0.689 1
1 811 . 13 1 1 A 70 70 GLY CA C 130 45.370 45.954 -0.584 1
1 812 . 13 1 1 A 70 70 GLY N N 130 112.470 110.534 1.936 1
1 6 . 14 1 1 A 2 2 ASN HA H 62 4.610 4.683 -0.073 1
1 10 . 14 1 1 A 2 2 ASN C C 62 174.760 174.959 -0.199 1
1 11 . 14 1 1 A 2 2 ASN CA C 62 53.100 53.608 -0.508 1
1 12 . 14 1 1 A 2 2 ASN CB C 62 38.790 38.016 0.774 1
1 14 . 14 1 1 A 3 3 ALA H H 63 8.300 8.723 -0.423 1
1 15 . 14 1 1 A 3 3 ALA HA H 63 4.200 3.824 0.376 1
1 19 . 14 1 1 A 3 3 ALA C C 63 178.180 177.255 0.925 1
1 20 . 14 1 1 A 3 3 ALA CA C 63 53.070 52.840 0.230 1
1 21 . 14 1 1 A 3 3 ALA CB C 63 18.960 17.651 1.309 1
1 22 . 14 1 1 A 3 3 ALA N N 63 125.390 123.462 1.928 1
1 23 . 14 1 1 A 4 4 GLY H H 64 8.340 8.220 0.120 1
1 24 . 14 1 1 A 4 4 GLY HA2 H 64 3.800 4.085 -0.285 1
1 25 . 14 1 1 A 4 4 GLY HA3 H 64 3.860 4.092 -0.232 1
1 26 . 14 1 1 A 4 4 GLY C C 64 174.010 173.358 0.652 1
1 27 . 14 1 1 A 4 4 GLY CA C 64 45.350 45.732 -0.382 1
1 28 . 14 1 1 A 4 4 GLY N N 64 109.300 106.907 2.393 1
1 29 . 14 1 1 A 5 5 GLN H H 65 7.950 7.674 0.276 1
1 30 . 14 1 1 A 5 5 GLN HA H 65 4.330 4.594 -0.264 1
1 35 . 14 1 1 A 5 5 GLN C C 65 175.560 174.952 0.608 1
1 36 . 14 1 1 A 5 5 GLN CA C 65 55.400 54.857 0.543 1
1 37 . 14 1 1 A 5 5 GLN CB C 65 29.860 30.078 -0.218 1
1 39 . 14 1 1 A 5 5 GLN N N 65 119.540 118.861 0.679 1
1 41 . 14 1 1 A 6 6 LEU H H 66 8.740 8.589 0.151 1
1 42 . 14 1 1 A 6 6 LEU HA H 66 4.610 4.992 -0.382 1
1 52 . 14 1 1 A 6 6 LEU C C 66 175.750 175.706 0.044 1
1 53 . 14 1 1 A 6 6 LEU CA C 66 54.010 53.409 0.601 1
1 54 . 14 1 1 A 6 6 LEU CB C 66 43.490 44.428 -0.938 1
1 58 . 14 1 1 A 6 6 LEU N N 66 126.120 121.606 4.514 1
1 59 . 14 1 1 A 7 7 CYS H H 67 8.470 8.624 -0.154 1
1 60 . 14 1 1 A 7 7 CYS HA H 67 4.140 4.400 -0.260 1
1 63 . 14 1 1 A 7 7 CYS C C 67 175.320 176.068 -0.748 1
1 64 . 14 1 1 A 7 7 CYS CA C 67 60.780 59.683 1.097 1
1 65 . 14 1 1 A 7 7 CYS CB C 67 32.850 28.218 4.632 1
1 66 . 14 1 1 A 7 7 CYS N N 67 123.170 123.204 -0.034 1
1 67 . 14 1 1 A 8 8 CYS H H 68 8.170 8.768 -0.598 1
1 68 . 14 1 1 A 8 8 CYS HA H 68 4.280 4.732 -0.452 1
1 72 . 14 1 1 A 8 8 CYS C C 68 172.410 173.939 -1.529 1
1 73 . 14 1 1 A 8 8 CYS CA C 68 58.920 58.399 0.521 1
1 74 . 14 1 1 A 8 8 CYS CB C 68 28.920 28.491 0.429 1
1 75 . 14 1 1 A 8 8 CYS N N 68 124.700 122.334 2.366 1
1 76 . 14 1 1 A 9 9 LEU H H 69 8.180 7.162 1.018 1
1 77 . 14 1 1 A 9 9 LEU HA H 69 4.580 4.473 0.107 1
1 87 . 14 1 1 A 9 9 LEU C C 69 176.770 175.861 0.909 1
1 88 . 14 1 1 A 9 9 LEU CA C 69 54.760 52.938 1.822 1
1 89 . 14 1 1 A 9 9 LEU CB C 69 43.150 44.621 -1.471 1
1 93 . 14 1 1 A 9 9 LEU N N 69 122.650 122.799 -0.149 1
1 94 . 14 1 1 A 10 10 ARG H H 70 8.880 8.390 0.490 1
1 95 . 14 1 1 A 10 10 ARG HA H 70 4.770 5.373 -0.603 1
1 102 . 14 1 1 A 10 10 ARG C C 70 174.900 174.130 0.770 1
1 103 . 14 1 1 A 10 10 ARG CA C 70 54.710 54.454 0.256 1
1 104 . 14 1 1 A 10 10 ARG CB C 70 33.390 31.816 1.574 1
1 107 . 14 1 1 A 10 10 ARG N N 70 117.650 121.996 -4.346 1
1 108 . 14 1 1 A 11 11 GLU H H 71 8.640 9.062 -0.422 1
1 109 . 14 1 1 A 11 11 GLU HA H 71 5.090 4.585 0.505 1
1 113 . 14 1 1 A 11 11 GLU C C 71 176.070 175.717 0.353 1
1 114 . 14 1 1 A 11 11 GLU CA C 71 54.270 55.531 -1.261 1
1 115 . 14 1 1 A 11 11 GLU CB C 71 32.460 31.283 1.177 1
1 117 . 14 1 1 A 11 11 GLU N N 71 123.910 125.923 -2.013 1
1 118 . 14 1 1 A 12 12 ASP H H 72 9.510 9.155 0.355 1
1 119 . 14 1 1 A 12 12 ASP HA H 72 4.270 4.399 -0.129 1
1 122 . 14 1 1 A 12 12 ASP C C 72 175.890 176.209 -0.319 1
1 123 . 14 1 1 A 12 12 ASP CA C 72 55.880 55.357 0.523 1
1 124 . 14 1 1 A 12 12 ASP CB C 72 39.910 39.374 0.536 1
1 125 . 14 1 1 A 12 12 ASP N N 72 129.440 128.247 1.193 1
1 126 . 14 1 1 A 13 13 GLY H H 73 8.970 8.414 0.556 1
1 127 . 14 1 1 A 13 13 GLY HA2 H 73 3.520 3.837 -0.317 1
1 128 . 14 1 1 A 13 13 GLY HA3 H 73 4.200 3.840 0.360 1
1 129 . 14 1 1 A 13 13 GLY C C 73 173.960 173.770 0.190 1
1 130 . 14 1 1 A 13 13 GLY CA C 73 45.350 45.354 -0.004 1
1 131 . 14 1 1 A 13 13 GLY N N 73 103.500 104.838 -1.338 1
1 132 . 14 1 1 A 14 14 GLU H H 74 7.660 7.898 -0.238 1
1 133 . 14 1 1 A 14 14 GLU HA H 74 4.640 4.560 0.080 1
1 138 . 14 1 1 A 14 14 GLU C C 74 176.170 175.716 0.454 1
1 139 . 14 1 1 A 14 14 GLU CA C 74 54.460 55.108 -0.648 1
1 140 . 14 1 1 A 14 14 GLU CB C 74 32.050 31.286 0.764 1
1 142 . 14 1 1 A 14 14 GLU N N 74 121.330 120.332 0.998 1
1 143 . 14 1 1 A 15 15 ARG H H 75 9.000 8.595 0.405 1
1 144 . 14 1 1 A 15 15 ARG HA H 75 4.120 4.362 -0.242 1
1 150 . 14 1 1 A 15 15 ARG C C 75 175.230 175.736 -0.506 1
1 151 . 14 1 1 A 15 15 ARG CA C 75 56.640 55.118 1.522 1
1 152 . 14 1 1 A 15 15 ARG CB C 75 29.720 28.785 0.935 1
1 155 . 14 1 1 A 15 15 ARG N N 75 127.990 124.817 3.173 1
1 156 . 14 1 1 A 16 16 CYS H H 76 8.870 8.915 -0.045 1
1 157 . 14 1 1 A 16 16 CYS HA H 76 4.170 4.272 -0.102 1
1 160 . 14 1 1 A 16 16 CYS CA C 76 61.840 61.036 0.804 1
1 161 . 14 1 1 A 16 16 CYS CB C 76 31.150 27.942 3.208 1
1 162 . 14 1 1 A 16 16 CYS N N 76 131.840 124.355 7.485 1
1 163 . 14 1 1 A 17 17 GLY H H 77 8.530 8.505 0.025 1
1 164 . 14 1 1 A 17 17 GLY HA2 H 77 3.680 3.950 -0.270 1
1 165 . 14 1 1 A 17 17 GLY HA3 H 77 4.340 3.969 0.371 1
1 166 . 14 1 1 A 17 17 GLY C C 77 174.620 173.911 0.709 1
1 167 . 14 1 1 A 17 17 GLY CA C 77 45.110 45.096 0.014 1
1 168 . 14 1 1 A 17 17 GLY N N 77 111.930 108.607 3.323 1
1 169 . 14 1 1 A 18 18 ARG H H 78 8.960 7.900 1.060 1
1 170 . 14 1 1 A 18 18 ARG HA H 78 4.290 4.381 -0.091 1
1 177 . 14 1 1 A 18 18 ARG C C 78 175.270 175.713 -0.443 1
1 178 . 14 1 1 A 18 18 ARG CA C 78 56.350 55.586 0.764 1
1 179 . 14 1 1 A 18 18 ARG CB C 78 31.310 31.610 -0.300 1
1 182 . 14 1 1 A 18 18 ARG N N 78 124.390 122.082 2.308 1
1 183 . 14 1 1 A 19 19 ALA H H 79 8.340 8.459 -0.119 1
1 184 . 14 1 1 A 19 19 ALA HA H 79 4.170 4.306 -0.136 1
1 188 . 14 1 1 A 19 19 ALA C C 79 177.620 177.239 0.381 1
1 189 . 14 1 1 A 19 19 ALA CA C 79 52.710 51.769 0.941 1
1 190 . 14 1 1 A 19 19 ALA CB C 79 18.710 19.028 -0.318 1
1 191 . 14 1 1 A 19 19 ALA N N 79 123.880 127.006 -3.126 1
1 192 . 14 1 1 A 20 20 ALA H H 80 8.470 9.138 -0.668 1
1 193 . 14 1 1 A 20 20 ALA HA H 80 3.540 4.377 -0.837 1
1 197 . 14 1 1 A 20 20 ALA C C 80 177.560 177.696 -0.136 1
1 198 . 14 1 1 A 20 20 ALA CA C 80 52.840 52.182 0.658 1
1 199 . 14 1 1 A 20 20 ALA CB C 80 19.050 19.648 -0.598 1
1 200 . 14 1 1 A 20 20 ALA N N 80 124.580 122.795 1.785 1
1 201 . 14 1 1 A 21 21 GLY H H 81 8.090 8.719 -0.629 1
1 202 . 14 1 1 A 21 21 GLY HA2 H 81 3.800 4.127 -0.327 1
1 203 . 14 1 1 A 21 21 GLY HA3 H 81 4.430 4.155 0.275 1
1 204 . 14 1 1 A 21 21 GLY C C 81 173.170 174.254 -1.084 1
1 205 . 14 1 1 A 21 21 GLY CA C 81 44.390 44.604 -0.214 1
1 206 . 14 1 1 A 21 21 GLY N N 81 114.000 106.757 7.243 1
1 207 . 14 1 1 A 22 22 ASN H H 82 8.690 8.709 -0.019 1
1 208 . 14 1 1 A 22 22 ASN HA H 82 4.650 4.990 -0.340 1
1 213 . 14 1 1 A 22 22 ASN C C 82 176.260 175.470 0.790 1
1 214 . 14 1 1 A 22 22 ASN CA C 82 53.580 52.818 0.762 1
1 215 . 14 1 1 A 22 22 ASN CB C 82 39.580 39.719 -0.139 1
1 216 . 14 1 1 A 22 22 ASN N N 82 118.160 122.419 -4.259 1
1 218 . 14 1 1 A 23 23 ALA H H 83 8.720 7.474 1.246 1
1 219 . 14 1 1 A 23 23 ALA HA H 83 4.570 4.478 0.092 1
1 223 . 14 1 1 A 23 23 ALA C C 83 175.910 176.281 -0.371 1
1 224 . 14 1 1 A 23 23 ALA CA C 83 52.340 51.878 0.462 1
1 225 . 14 1 1 A 23 23 ALA CB C 83 19.370 20.948 -1.578 1
1 226 . 14 1 1 A 23 23 ALA N N 83 125.180 121.572 3.608 1
1 227 . 14 1 1 A 24 24 SER H H 84 7.970 8.732 -0.762 1
1 228 . 14 1 1 A 24 24 SER HA H 84 5.310 5.073 0.237 1
1 230 . 14 1 1 A 24 24 SER C C 84 174.620 172.656 1.964 1
1 231 . 14 1 1 A 24 24 SER CA C 84 56.550 57.368 -0.818 1
1 232 . 14 1 1 A 24 24 SER CB C 84 66.420 66.517 -0.097 1
1 233 . 14 1 1 A 24 24 SER N N 84 112.840 114.747 -1.907 1
1 234 . 14 1 1 A 25 25 PHE H H 85 9.580 8.941 0.639 1
1 235 . 14 1 1 A 25 25 PHE HA H 85 4.320 4.778 -0.458 1
1 241 . 14 1 1 A 25 25 PHE C C 85 173.430 174.929 -1.499 1
1 242 . 14 1 1 A 25 25 PHE CA C 85 57.780 57.468 0.312 1
1 243 . 14 1 1 A 25 25 PHE CB C 85 38.780 39.296 -0.516 1
1 247 . 14 1 1 A 25 25 PHE N N 85 125.520 127.064 -1.544 1
1 248 . 14 1 1 A 26 26 SER H H 86 6.780 8.104 -1.324 1
1 249 . 14 1 1 A 26 26 SER HA H 86 4.430 4.742 -0.312 1
1 252 . 14 1 1 A 26 26 SER C C 86 174.200 174.939 -0.739 1
1 253 . 14 1 1 A 26 26 SER CA C 86 56.610 56.008 0.602 1
1 254 . 14 1 1 A 26 26 SER CB C 86 66.010 65.425 0.585 1
1 255 . 14 1 1 A 26 26 SER N N 86 118.860 118.804 0.056 1
1 256 . 14 1 1 A 27 27 LYS H H 87 8.710 8.568 0.142 1
1 257 . 14 1 1 A 27 27 LYS HA H 87 3.850 3.740 0.110 1
1 263 . 14 1 1 A 27 27 LYS C C 87 178.490 178.774 -0.284 1
1 264 . 14 1 1 A 27 27 LYS CA C 87 59.390 59.377 0.013 1
1 265 . 14 1 1 A 27 27 LYS CB C 87 31.970 32.719 -0.749 1
1 269 . 14 1 1 A 27 27 LYS N N 87 121.790 118.930 2.860 1
1 270 . 14 1 1 A 28 28 ARG H H 88 8.010 7.728 0.282 1
1 271 . 14 1 1 A 28 28 ARG HA H 88 3.990 4.028 -0.038 1
1 277 . 14 1 1 A 28 28 ARG C C 88 178.890 178.767 0.123 1
1 278 . 14 1 1 A 28 28 ARG CA C 88 59.010 58.738 0.272 1
1 279 . 14 1 1 A 28 28 ARG CB C 88 30.120 29.832 0.288 1
1 282 . 14 1 1 A 28 28 ARG N N 88 119.520 119.852 -0.332 1
1 283 . 14 1 1 A 29 29 ILE H H 89 7.350 8.068 -0.718 1
1 284 . 14 1 1 A 29 29 ILE HA H 89 3.680 3.651 0.029 1
1 294 . 14 1 1 A 29 29 ILE C C 89 177.620 177.838 -0.218 1
1 295 . 14 1 1 A 29 29 ILE CA C 89 63.170 65.261 -2.091 1
1 296 . 14 1 1 A 29 29 ILE CB C 89 36.900 37.374 -0.474 1
1 300 . 14 1 1 A 29 29 ILE N N 89 121.980 119.970 2.010 1
1 301 . 14 1 1 A 30 30 GLN H H 90 7.990 7.988 0.002 1
1 302 . 14 1 1 A 30 30 GLN HA H 90 3.630 3.978 -0.348 1
1 308 . 14 1 1 A 30 30 GLN C C 90 178.320 177.557 0.763 1
1 309 . 14 1 1 A 30 30 GLN CA C 90 59.200 58.991 0.209 1
1 310 . 14 1 1 A 30 30 GLN CB C 90 28.700 28.291 0.409 1
1 312 . 14 1 1 A 30 30 GLN N N 90 121.020 120.232 0.788 1
1 314 . 14 1 1 A 31 31 LYS H H 91 7.990 7.741 0.249 1
1 315 . 14 1 1 A 31 31 LYS HA H 91 4.090 4.095 -0.005 1
1 321 . 14 1 1 A 31 31 LYS C C 91 178.650 178.997 -0.347 1
1 322 . 14 1 1 A 31 31 LYS CA C 91 58.720 59.193 -0.473 1
1 323 . 14 1 1 A 31 31 LYS CB C 91 32.220 32.404 -0.184 1
1 327 . 14 1 1 A 31 31 LYS N N 91 119.520 119.822 -0.302 1
1 328 . 14 1 1 A 32 32 SER H H 92 7.770 8.178 -0.408 1
1 329 . 14 1 1 A 32 32 SER HA H 92 4.320 4.092 0.228 1
1 332 . 14 1 1 A 32 32 SER C C 92 176.110 176.545 -0.435 1
1 333 . 14 1 1 A 32 32 SER CA C 92 61.260 62.519 -1.259 1
1 334 . 14 1 1 A 32 32 SER CB C 92 63.610 62.695 0.915 1
1 335 . 14 1 1 A 32 32 SER N N 92 116.310 116.668 -0.358 1
1 336 . 14 1 1 A 33 33 ILE H H 93 7.960 7.612 0.348 1
1 337 . 14 1 1 A 33 33 ILE HA H 93 3.920 3.867 0.053 1
1 347 . 14 1 1 A 33 33 ILE C C 93 177.480 177.904 -0.424 1
1 348 . 14 1 1 A 33 33 ILE CA C 93 63.610 64.308 -0.698 1
1 349 . 14 1 1 A 33 33 ILE CB C 93 38.330 37.725 0.605 1
1 353 . 14 1 1 A 33 33 ILE N N 93 119.950 122.404 -2.454 1
1 354 . 14 1 1 A 34 34 SER H H 94 7.970 8.326 -0.356 1
1 355 . 14 1 1 A 34 34 SER HA H 94 4.390 4.028 0.362 1
1 357 . 14 1 1 A 34 34 SER C C 94 176.490 176.998 -0.508 1
1 358 . 14 1 1 A 34 34 SER CA C 94 60.560 61.634 -1.074 1
1 359 . 14 1 1 A 34 34 SER CB C 94 63.130 62.947 0.183 1
1 360 . 14 1 1 A 34 34 SER N N 94 117.230 115.942 1.288 1
1 361 . 14 1 1 A 35 35 GLN H H 95 8.220 8.291 -0.071 1
1 362 . 14 1 1 A 35 35 GLN HA H 95 4.260 4.169 0.091 1
1 369 . 14 1 1 A 35 35 GLN C C 95 177.050 177.488 -0.438 1
1 370 . 14 1 1 A 35 35 GLN CA C 95 57.360 58.142 -0.782 1
1 371 . 14 1 1 A 35 35 GLN CB C 95 28.900 28.746 0.154 1
1 373 . 14 1 1 A 35 35 GLN N N 95 121.530 120.680 0.850 1
1 375 . 14 1 1 A 36 36 LYS H H 96 7.870 7.739 0.131 1
1 376 . 14 1 1 A 36 36 LYS HA H 96 4.280 4.341 -0.061 1
1 383 . 14 1 1 A 36 36 LYS C C 96 176.160 176.078 0.082 1
1 384 . 14 1 1 A 36 36 LYS CA C 96 56.570 56.786 -0.216 1
1 385 . 14 1 1 A 36 36 LYS CB C 96 33.600 33.550 0.050 1
1 389 . 14 1 1 A 36 36 LYS N N 96 118.550 116.857 1.693 1
1 390 . 14 1 1 A 37 37 LYS H H 97 8.110 8.665 -0.555 1
1 391 . 14 1 1 A 37 37 LYS HA H 97 4.110 3.907 0.203 1
1 396 . 14 1 1 A 37 37 LYS C C 97 176.210 175.195 1.015 1
1 397 . 14 1 1 A 37 37 LYS CA C 97 57.230 57.134 0.096 1
1 398 . 14 1 1 A 37 37 LYS CB C 97 30.580 30.455 0.125 1
1 402 . 14 1 1 A 37 37 LYS N N 97 117.680 117.214 0.466 1
1 403 . 14 1 1 A 38 38 VAL H H 98 7.430 7.814 -0.384 1
1 404 . 14 1 1 A 38 38 VAL HA H 98 4.350 4.855 -0.505 1
1 412 . 14 1 1 A 38 38 VAL C C 98 175.830 175.229 0.601 1
1 413 . 14 1 1 A 38 38 VAL CA C 98 60.580 58.899 1.681 1
1 414 . 14 1 1 A 38 38 VAL CB C 98 33.410 35.048 -1.638 1
1 417 . 14 1 1 A 38 38 VAL N N 98 115.860 114.216 1.644 1
1 418 . 14 1 1 A 39 39 LYS H H 99 8.960 8.391 0.569 1
1 419 . 14 1 1 A 39 39 LYS HA H 99 4.430 4.460 -0.030 1
1 425 . 14 1 1 A 39 39 LYS C C 99 175.700 174.552 1.148 1
1 426 . 14 1 1 A 39 39 LYS CA C 99 55.420 56.083 -0.663 1
1 427 . 14 1 1 A 39 39 LYS CB C 99 30.580 30.681 -0.101 1
1 431 . 14 1 1 A 39 39 LYS N N 99 127.710 118.730 8.980 1
1 432 . 14 1 1 A 40 40 ILE H H 100 7.660 7.363 0.297 1
1 433 . 14 1 1 A 40 40 ILE HA H 100 5.020 4.932 0.088 1
1 443 . 14 1 1 A 40 40 ILE C C 100 174.520 174.924 -0.404 1
1 444 . 14 1 1 A 40 40 ILE CA C 100 59.370 60.394 -1.024 1
1 445 . 14 1 1 A 40 40 ILE CB C 100 40.650 40.446 0.204 1
1 449 . 14 1 1 A 40 40 ILE N N 100 123.140 121.893 1.247 1
1 450 . 14 1 1 A 41 41 GLU H H 101 8.490 9.070 -0.580 1
1 451 . 14 1 1 A 41 41 GLU HA H 101 4.620 4.924 -0.304 1
1 456 . 14 1 1 A 41 41 GLU C C 101 173.590 174.162 -0.572 1
1 457 . 14 1 1 A 41 41 GLU CA C 101 53.740 54.355 -0.615 1
1 458 . 14 1 1 A 41 41 GLU CB C 101 34.580 33.263 1.317 1
1 460 . 14 1 1 A 41 41 GLU N N 101 123.460 124.493 -1.033 1
1 461 . 14 1 1 A 42 42 LEU H H 102 8.490 8.434 0.056 1
1 462 . 14 1 1 A 42 42 LEU HA H 102 3.790 4.551 -0.761 1
1 472 . 14 1 1 A 42 42 LEU C C 102 176.440 175.545 0.895 1
1 473 . 14 1 1 A 42 42 LEU CA C 102 55.190 53.843 1.347 1
1 474 . 14 1 1 A 42 42 LEU CB C 102 43.100 44.131 -1.031 1
1 478 . 14 1 1 A 42 42 LEU N N 102 123.470 122.814 0.656 1
1 479 . 14 1 1 A 43 43 ASP H H 103 8.770 8.030 0.740 1
1 480 . 14 1 1 A 43 43 ASP HA H 103 4.520 4.762 -0.242 1
1 483 . 14 1 1 A 43 43 ASP C C 103 177.600 176.251 1.349 1
1 484 . 14 1 1 A 43 43 ASP CA C 103 53.740 53.749 -0.009 1
1 485 . 14 1 1 A 43 43 ASP CB C 103 41.880 42.351 -0.471 1
1 486 . 14 1 1 A 43 43 ASP N N 103 127.210 124.875 2.335 1
1 487 . 14 1 1 A 44 44 LYS H H 104 8.910 8.806 0.104 1
1 488 . 14 1 1 A 44 44 LYS HA H 104 3.920 4.410 -0.490 1
1 495 . 14 1 1 A 44 44 LYS C C 104 177.340 177.768 -0.428 1
1 496 . 14 1 1 A 44 44 LYS CA C 104 58.930 56.336 2.594 1
1 497 . 14 1 1 A 44 44 LYS CB C 104 32.000 32.831 -0.831 1
1 501 . 14 1 1 A 44 44 LYS N N 104 129.080 124.518 4.562 1
1 502 . 14 1 1 A 45 45 SER H H 105 8.740 7.420 1.320 1
1 503 . 14 1 1 A 45 45 SER HA H 105 4.370 4.296 0.074 1
1 506 . 14 1 1 A 45 45 SER C C 105 175.040 174.871 0.169 1
1 507 . 14 1 1 A 45 45 SER CA C 105 59.150 61.427 -2.277 1
1 508 . 14 1 1 A 45 45 SER CB C 105 63.830 62.837 0.993 1
1 509 . 14 1 1 A 45 45 SER N N 105 115.270 112.760 2.510 1
1 510 . 14 1 1 A 46 46 ALA H H 106 7.430 7.516 -0.086 1
1 511 . 14 1 1 A 46 46 ALA HA H 106 4.150 4.136 0.014 1
1 515 . 14 1 1 A 46 46 ALA CA C 106 53.300 52.569 0.731 1
1 516 . 14 1 1 A 46 46 ALA CB C 106 19.190 19.372 -0.182 1
1 517 . 14 1 1 A 46 46 ALA N N 106 125.120 123.870 1.250 1
1 518 . 14 1 1 A 47 47 ARG HA H 107 4.280 4.456 -0.176 1
1 526 . 14 1 1 A 48 48 HIS HA H 108 4.650 4.758 -0.108 1
1 531 . 14 1 1 A 48 48 HIS C C 108 173.160 174.397 -1.237 1
1 532 . 14 1 1 A 48 48 HIS CA C 108 54.990 54.192 0.798 1
1 533 . 14 1 1 A 48 48 HIS CB C 108 33.400 31.622 1.778 1
1 538 . 14 1 1 A 49 49 LEU H H 109 8.030 8.687 -0.657 1
1 539 . 14 1 1 A 49 49 LEU HA H 109 5.040 4.623 0.417 1
1 549 . 14 1 1 A 49 49 LEU CA C 109 54.480 53.746 0.734 1
1 550 . 14 1 1 A 49 49 LEU CB C 109 43.010 41.473 1.537 1
1 554 . 14 1 1 A 49 49 LEU N N 109 120.130 122.394 -2.264 1
1 555 . 14 1 1 A 50 50 TYR HA H 110 5.020 5.243 -0.223 1
1 560 . 14 1 1 A 50 50 TYR C C 110 176.960 175.864 1.096 1
1 561 . 14 1 1 A 50 50 TYR CA C 110 60.340 56.658 3.682 1
1 562 . 14 1 1 A 50 50 TYR CB C 110 39.210 40.800 -1.590 1
1 565 . 14 1 1 A 51 51 ILE H H 111 8.510 8.744 -0.234 1
1 566 . 14 1 1 A 51 51 ILE HA H 111 5.960 4.776 1.184 1
1 576 . 14 1 1 A 51 51 ILE C C 111 177.900 176.276 1.624 1
1 577 . 14 1 1 A 51 51 ILE CA C 111 58.100 59.597 -1.497 1
1 578 . 14 1 1 A 51 51 ILE CB C 111 41.370 39.968 1.402 1
1 582 . 14 1 1 A 51 51 ILE N N 111 115.050 120.466 -5.416 1
1 583 . 14 1 1 A 52 52 CYS H H 112 9.830 8.725 1.105 1
1 584 . 14 1 1 A 52 52 CYS HA H 112 5.000 4.797 0.203 1
1 587 . 14 1 1 A 52 52 CYS C C 112 175.420 175.689 -0.269 1
1 588 . 14 1 1 A 52 52 CYS CA C 112 57.770 57.753 0.017 1
1 589 . 14 1 1 A 52 52 CYS CB C 112 33.120 29.727 3.393 1
1 590 . 14 1 1 A 52 52 CYS N N 112 125.820 122.164 3.656 1
1 591 . 14 1 1 A 53 53 ASP H H 113 9.000 8.955 0.045 1
1 592 . 14 1 1 A 53 53 ASP HA H 113 4.510 4.387 0.123 1
1 594 . 14 1 1 A 53 53 ASP C C 113 178.140 177.820 0.320 1
1 595 . 14 1 1 A 53 53 ASP CA C 113 57.330 56.948 0.382 1
1 596 . 14 1 1 A 53 53 ASP CB C 113 39.730 40.876 -1.146 1
1 597 . 14 1 1 A 53 53 ASP N N 113 121.960 121.960 0.000 1
1 598 . 14 1 1 A 54 54 TYR H H 114 8.220 8.025 0.195 1
1 599 . 14 1 1 A 54 54 TYR HA H 114 4.100 4.249 -0.149 1
1 604 . 14 1 1 A 54 54 TYR C C 114 178.410 177.168 1.242 1
1 605 . 14 1 1 A 54 54 TYR CA C 114 61.970 61.716 0.254 1
1 606 . 14 1 1 A 54 54 TYR CB C 114 37.150 38.910 -1.760 1
1 609 . 14 1 1 A 54 54 TYR N N 114 123.510 121.145 2.365 1
1 610 . 14 1 1 A 55 55 HIS H H 115 10.090 7.746 2.344 1
1 611 . 14 1 1 A 55 55 HIS HA H 115 4.040 4.070 -0.030 1
1 616 . 14 1 1 A 55 55 HIS C C 115 177.240 177.514 -0.274 1
1 617 . 14 1 1 A 55 55 HIS CA C 115 63.870 59.574 4.296 1
1 618 . 14 1 1 A 55 55 HIS CB C 115 29.600 29.599 0.001 1
1 621 . 14 1 1 A 55 55 HIS N N 115 124.830 116.916 7.914 1
1 624 . 14 1 1 A 56 56 LYS H H 116 8.830 8.034 0.796 1
1 625 . 14 1 1 A 56 56 LYS HA H 116 3.720 3.885 -0.165 1
1 633 . 14 1 1 A 56 56 LYS C C 116 178.140 178.796 -0.656 1
1 634 . 14 1 1 A 56 56 LYS CA C 116 60.590 59.986 0.604 1
1 635 . 14 1 1 A 56 56 LYS CB C 116 32.230 32.057 0.173 1
1 639 . 14 1 1 A 56 56 LYS N N 116 123.340 120.767 2.573 1
1 640 . 14 1 1 A 57 57 ASN H H 117 8.140 8.216 -0.076 1
1 641 . 14 1 1 A 57 57 ASN HA H 117 4.340 4.519 -0.179 1
1 646 . 14 1 1 A 57 57 ASN C C 117 177.570 177.518 0.052 1
1 647 . 14 1 1 A 57 57 ASN CA C 117 55.890 55.784 0.106 1
1 648 . 14 1 1 A 57 57 ASN CB C 117 38.070 39.074 -1.004 1
1 649 . 14 1 1 A 57 57 ASN N N 117 116.920 118.232 -1.312 1
1 651 . 14 1 1 A 58 58 LEU H H 118 7.890 7.608 0.282 1
1 652 . 14 1 1 A 58 58 LEU HA H 118 3.930 3.995 -0.065 1
1 662 . 14 1 1 A 58 58 LEU C C 118 179.400 178.636 0.764 1
1 663 . 14 1 1 A 58 58 LEU CA C 118 58.420 57.840 0.580 1
1 664 . 14 1 1 A 58 58 LEU CB C 118 43.170 41.784 1.386 1
1 668 . 14 1 1 A 58 58 LEU N N 118 123.590 119.857 3.733 1
1 669 . 14 1 1 A 59 59 ILE H H 119 8.360 8.176 0.184 1
1 670 . 14 1 1 A 59 59 ILE HA H 119 3.470 3.757 -0.287 1
1 680 . 14 1 1 A 59 59 ILE C C 119 177.290 178.623 -1.333 1
1 681 . 14 1 1 A 59 59 ILE CA C 119 65.260 64.246 1.014 1
1 682 . 14 1 1 A 59 59 ILE CB C 119 38.330 37.516 0.814 1
1 686 . 14 1 1 A 59 59 ILE N N 119 118.630 119.343 -0.713 1
1 687 . 14 1 1 A 60 60 GLN H H 120 7.830 8.312 -0.482 1
1 688 . 14 1 1 A 60 60 GLN HA H 120 4.130 4.059 0.071 1
1 694 . 14 1 1 A 60 60 GLN C C 120 177.240 177.327 -0.087 1
1 695 . 14 1 1 A 60 60 GLN CA C 120 57.750 59.065 -1.315 1
1 696 . 14 1 1 A 60 60 GLN CB C 120 28.910 28.600 0.310 1
1 698 . 14 1 1 A 60 60 GLN N N 120 117.840 120.290 -2.450 1
1 700 . 14 1 1 A 61 61 SER H H 121 7.790 7.390 0.400 1
1 701 . 14 1 1 A 61 61 SER HA H 121 4.300 4.829 -0.529 1
1 703 . 14 1 1 A 61 61 SER C C 121 175.650 174.382 1.268 1
1 704 . 14 1 1 A 61 61 SER CA C 121 60.090 57.781 2.309 1
1 705 . 14 1 1 A 61 61 SER CB C 121 63.570 63.332 0.238 1
1 706 . 14 1 1 A 61 61 SER N N 121 115.460 112.764 2.696 1
1 707 . 14 1 1 A 62 62 VAL H H 122 8.020 7.699 0.321 1
1 708 . 14 1 1 A 62 62 VAL HA H 122 4.020 4.006 0.014 1
1 716 . 14 1 1 A 62 62 VAL C C 122 176.960 177.504 -0.544 1
1 717 . 14 1 1 A 62 62 VAL CA C 122 63.600 64.439 -0.839 1
1 718 . 14 1 1 A 62 62 VAL CB C 122 32.300 32.820 -0.520 1
1 721 . 14 1 1 A 62 62 VAL N N 122 121.600 120.767 0.833 1
1 722 . 14 1 1 A 63 63 ARG H H 123 8.130 7.836 0.294 1
1 723 . 14 1 1 A 63 63 ARG HA H 123 4.190 4.325 -0.135 1
1 729 . 14 1 1 A 63 63 ARG C C 123 176.490 175.919 0.571 1
1 730 . 14 1 1 A 63 63 ARG CA C 123 57.070 56.073 0.997 1
1 731 . 14 1 1 A 63 63 ARG CB C 123 30.780 31.083 -0.303 1
1 734 . 14 1 1 A 63 63 ARG N N 123 122.770 119.162 3.608 1
1 735 . 14 1 1 A 64 64 ASN H H 124 8.210 8.046 0.164 1
1 736 . 14 1 1 A 64 64 ASN HA H 124 4.650 4.327 0.323 1
1 741 . 14 1 1 A 64 64 ASN C C 124 175.310 174.707 0.603 1
1 742 . 14 1 1 A 64 64 ASN CA C 124 53.500 53.946 -0.446 1
1 743 . 14 1 1 A 64 64 ASN CB C 124 38.840 36.798 2.042 1
1 744 . 14 1 1 A 64 64 ASN N N 124 119.350 116.218 3.132 1
1 746 . 14 1 1 A 65 65 ARG H H 125 8.100 8.070 0.030 1
1 747 . 14 1 1 A 65 65 ARG HA H 125 4.270 4.289 -0.019 1
1 752 . 14 1 1 A 65 65 ARG C C 125 176.310 175.975 0.335 1
1 753 . 14 1 1 A 65 65 ARG CA C 125 56.580 55.238 1.342 1
1 754 . 14 1 1 A 65 65 ARG CB C 125 30.810 28.480 2.330 1
1 757 . 14 1 1 A 65 65 ARG N N 125 122.230 122.603 -0.373 1
1 758 . 14 1 1 A 66 66 ARG H H 126 8.260 8.888 -0.628 1
1 759 . 14 1 1 A 66 66 ARG HA H 126 4.270 4.418 -0.148 1
1 764 . 14 1 1 A 66 66 ARG C C 126 176.210 174.719 1.491 1
1 765 . 14 1 1 A 66 66 ARG CA C 126 56.190 55.284 0.906 1
1 766 . 14 1 1 A 66 66 ARG CB C 126 30.810 28.744 2.066 1
1 769 . 14 1 1 A 66 66 ARG N N 126 122.760 127.123 -4.363 1
1 770 . 14 1 1 A 67 67 LYS H H 127 8.270 8.187 0.083 1
1 771 . 14 1 1 A 67 67 LYS HA H 127 4.260 4.582 -0.322 1
1 776 . 14 1 1 A 67 67 LYS C C 127 176.450 176.476 -0.026 1
1 777 . 14 1 1 A 67 67 LYS CA C 127 56.320 55.062 1.258 1
1 778 . 14 1 1 A 67 67 LYS CB C 127 33.180 34.149 -0.969 1
1 782 . 14 1 1 A 67 67 LYS N N 127 123.620 122.774 0.846 1
1 783 . 14 1 1 A 68 68 ARG H H 128 8.340 8.821 -0.481 1
1 784 . 14 1 1 A 68 68 ARG HA H 128 4.270 3.993 0.277 1
1 788 . 14 1 1 A 68 68 ARG C C 128 176.250 176.220 0.030 1
1 789 . 14 1 1 A 68 68 ARG CA C 128 56.130 56.888 -0.758 1
1 790 . 14 1 1 A 68 68 ARG CB C 128 31.060 28.733 2.327 1
1 793 . 14 1 1 A 68 68 ARG N N 128 123.750 123.116 0.634 1
1 794 . 14 1 1 A 69 69 LYS H H 129 8.450 8.355 0.095 1
1 795 . 14 1 1 A 69 69 LYS HA H 129 4.250 4.596 -0.346 1
1 800 . 14 1 1 A 69 69 LYS C C 129 177.010 176.464 0.546 1
1 801 . 14 1 1 A 69 69 LYS CA C 129 57.000 56.877 0.123 1
1 802 . 14 1 1 A 69 69 LYS CB C 129 32.940 34.336 -1.396 1
1 806 . 14 1 1 A 69 69 LYS N N 129 124.580 125.378 -0.798 1
1 807 . 14 1 1 A 70 70 GLY H H 130 8.500 7.314 1.186 1
1 808 . 14 1 1 A 70 70 GLY HA2 H 130 3.910 4.079 -0.169 1
1 809 . 14 1 1 A 70 70 GLY HA3 H 130 4.010 4.079 -0.069 1
1 810 . 14 1 1 A 70 70 GLY C C 130 173.360 173.646 -0.286 1
1 811 . 14 1 1 A 70 70 GLY CA C 130 45.370 44.245 1.125 1
1 812 . 14 1 1 A 70 70 GLY N N 130 112.470 105.121 7.349 1
1 6 . 15 1 1 A 2 2 ASN HA H 62 4.610 4.314 0.296 1
1 10 . 15 1 1 A 2 2 ASN C C 62 174.760 175.162 -0.402 1
1 11 . 15 1 1 A 2 2 ASN CA C 62 53.100 53.979 -0.879 1
1 12 . 15 1 1 A 2 2 ASN CB C 62 38.790 36.819 1.971 1
1 14 . 15 1 1 A 3 3 ALA H H 63 8.300 7.985 0.315 1
1 15 . 15 1 1 A 3 3 ALA HA H 63 4.200 4.443 -0.243 1
1 19 . 15 1 1 A 3 3 ALA C C 63 178.180 177.009 1.171 1
1 20 . 15 1 1 A 3 3 ALA CA C 63 53.070 51.337 1.733 1
1 21 . 15 1 1 A 3 3 ALA CB C 63 18.960 19.918 -0.958 1
1 22 . 15 1 1 A 3 3 ALA N N 63 125.390 119.997 5.393 1
1 23 . 15 1 1 A 4 4 GLY H H 64 8.340 8.011 0.329 1
1 24 . 15 1 1 A 4 4 GLY HA2 H 64 3.800 3.948 -0.148 1
1 25 . 15 1 1 A 4 4 GLY HA3 H 64 3.860 3.955 -0.095 1
1 26 . 15 1 1 A 4 4 GLY C C 64 174.010 172.960 1.050 1
1 27 . 15 1 1 A 4 4 GLY CA C 64 45.350 46.415 -1.065 1
1 28 . 15 1 1 A 4 4 GLY N N 64 109.300 106.839 2.461 1
1 29 . 15 1 1 A 5 5 GLN H H 65 7.950 8.323 -0.373 1
1 30 . 15 1 1 A 5 5 GLN HA H 65 4.330 4.788 -0.458 1
1 35 . 15 1 1 A 5 5 GLN C C 65 175.560 174.799 0.761 1
1 36 . 15 1 1 A 5 5 GLN CA C 65 55.400 54.221 1.179 1
1 37 . 15 1 1 A 5 5 GLN CB C 65 29.860 30.900 -1.040 1
1 39 . 15 1 1 A 5 5 GLN N N 65 119.540 120.985 -1.445 1
1 41 . 15 1 1 A 6 6 LEU H H 66 8.740 8.924 -0.184 1
1 42 . 15 1 1 A 6 6 LEU HA H 66 4.610 5.012 -0.402 1
1 52 . 15 1 1 A 6 6 LEU C C 66 175.750 175.194 0.556 1
1 53 . 15 1 1 A 6 6 LEU CA C 66 54.010 53.269 0.741 1
1 54 . 15 1 1 A 6 6 LEU CB C 66 43.490 45.553 -2.063 1
1 58 . 15 1 1 A 6 6 LEU N N 66 126.120 121.111 5.009 1
1 59 . 15 1 1 A 7 7 CYS H H 67 8.470 8.452 0.018 1
1 60 . 15 1 1 A 7 7 CYS HA H 67 4.140 4.408 -0.268 1
1 63 . 15 1 1 A 7 7 CYS C C 67 175.320 176.138 -0.818 1
1 64 . 15 1 1 A 7 7 CYS CA C 67 60.780 59.936 0.844 1
1 65 . 15 1 1 A 7 7 CYS CB C 67 32.850 28.474 4.376 1
1 66 . 15 1 1 A 7 7 CYS N N 67 123.170 122.044 1.126 1
1 67 . 15 1 1 A 8 8 CYS H H 68 8.170 8.810 -0.640 1
1 68 . 15 1 1 A 8 8 CYS HA H 68 4.280 4.634 -0.354 1
1 72 . 15 1 1 A 8 8 CYS C C 68 172.410 174.055 -1.645 1
1 73 . 15 1 1 A 8 8 CYS CA C 68 58.920 58.406 0.514 1
1 74 . 15 1 1 A 8 8 CYS CB C 68 28.920 27.455 1.465 1
1 75 . 15 1 1 A 8 8 CYS N N 68 124.700 122.433 2.267 1
1 76 . 15 1 1 A 9 9 LEU H H 69 8.180 7.130 1.050 1
1 77 . 15 1 1 A 9 9 LEU HA H 69 4.580 4.730 -0.150 1
1 87 . 15 1 1 A 9 9 LEU C C 69 176.770 175.604 1.166 1
1 88 . 15 1 1 A 9 9 LEU CA C 69 54.760 53.633 1.127 1
1 89 . 15 1 1 A 9 9 LEU CB C 69 43.150 46.633 -3.483 1
1 93 . 15 1 1 A 9 9 LEU N N 69 122.650 122.262 0.388 1
1 94 . 15 1 1 A 10 10 ARG H H 70 8.880 8.137 0.743 1
1 95 . 15 1 1 A 10 10 ARG HA H 70 4.770 5.550 -0.780 1
1 102 . 15 1 1 A 10 10 ARG C C 70 174.900 174.255 0.645 1
1 103 . 15 1 1 A 10 10 ARG CA C 70 54.710 54.020 0.690 1
1 104 . 15 1 1 A 10 10 ARG CB C 70 33.390 32.093 1.297 1
1 107 . 15 1 1 A 10 10 ARG N N 70 117.650 120.980 -3.330 1
1 108 . 15 1 1 A 11 11 GLU H H 71 8.640 9.076 -0.436 1
1 109 . 15 1 1 A 11 11 GLU HA H 71 5.090 4.599 0.491 1
1 113 . 15 1 1 A 11 11 GLU C C 71 176.070 175.922 0.148 1
1 114 . 15 1 1 A 11 11 GLU CA C 71 54.270 55.713 -1.443 1
1 115 . 15 1 1 A 11 11 GLU CB C 71 32.460 31.493 0.967 1
1 117 . 15 1 1 A 11 11 GLU N N 71 123.910 125.587 -1.677 1
1 118 . 15 1 1 A 12 12 ASP H H 72 9.510 9.115 0.395 1
1 119 . 15 1 1 A 12 12 ASP HA H 72 4.270 4.381 -0.111 1
1 122 . 15 1 1 A 12 12 ASP C C 72 175.890 175.651 0.239 1
1 123 . 15 1 1 A 12 12 ASP CA C 72 55.880 55.305 0.575 1
1 124 . 15 1 1 A 12 12 ASP CB C 72 39.910 39.772 0.138 1
1 125 . 15 1 1 A 12 12 ASP N N 72 129.440 128.133 1.307 1
1 126 . 15 1 1 A 13 13 GLY H H 73 8.970 8.371 0.599 1
1 127 . 15 1 1 A 13 13 GLY HA2 H 73 3.520 3.849 -0.329 1
1 128 . 15 1 1 A 13 13 GLY HA3 H 73 4.200 3.853 0.347 1
1 129 . 15 1 1 A 13 13 GLY C C 73 173.960 173.677 0.283 1
1 130 . 15 1 1 A 13 13 GLY CA C 73 45.350 45.232 0.118 1
1 131 . 15 1 1 A 13 13 GLY N N 73 103.500 103.845 -0.345 1
1 132 . 15 1 1 A 14 14 GLU H H 74 7.660 8.094 -0.434 1
1 133 . 15 1 1 A 14 14 GLU HA H 74 4.640 4.500 0.140 1
1 138 . 15 1 1 A 14 14 GLU C C 74 176.170 175.829 0.341 1
1 139 . 15 1 1 A 14 14 GLU CA C 74 54.460 55.462 -1.002 1
1 140 . 15 1 1 A 14 14 GLU CB C 74 32.050 30.724 1.326 1
1 142 . 15 1 1 A 14 14 GLU N N 74 121.330 120.352 0.978 1
1 143 . 15 1 1 A 15 15 ARG H H 75 9.000 8.720 0.280 1
1 144 . 15 1 1 A 15 15 ARG HA H 75 4.120 4.347 -0.227 1
1 150 . 15 1 1 A 15 15 ARG C C 75 175.230 175.838 -0.608 1
1 151 . 15 1 1 A 15 15 ARG CA C 75 56.640 55.013 1.627 1
1 152 . 15 1 1 A 15 15 ARG CB C 75 29.720 28.723 0.997 1
1 155 . 15 1 1 A 15 15 ARG N N 75 127.990 124.332 3.658 1
1 156 . 15 1 1 A 16 16 CYS H H 76 8.870 8.980 -0.110 1
1 157 . 15 1 1 A 16 16 CYS HA H 76 4.170 4.305 -0.135 1
1 160 . 15 1 1 A 16 16 CYS CA C 76 61.840 61.177 0.663 1
1 161 . 15 1 1 A 16 16 CYS CB C 76 31.150 28.056 3.094 1
1 162 . 15 1 1 A 16 16 CYS N N 76 131.840 124.309 7.531 1
1 163 . 15 1 1 A 17 17 GLY H H 77 8.530 8.182 0.348 1
1 164 . 15 1 1 A 17 17 GLY HA2 H 77 3.680 3.942 -0.262 1
1 165 . 15 1 1 A 17 17 GLY HA3 H 77 4.340 3.966 0.374 1
1 166 . 15 1 1 A 17 17 GLY C C 77 174.620 174.600 0.020 1
1 167 . 15 1 1 A 17 17 GLY CA C 77 45.110 45.036 0.074 1
1 168 . 15 1 1 A 17 17 GLY N N 77 111.930 108.483 3.447 1
1 169 . 15 1 1 A 18 18 ARG H H 78 8.960 7.688 1.272 1
1 170 . 15 1 1 A 18 18 ARG HA H 78 4.290 4.491 -0.201 1
1 177 . 15 1 1 A 18 18 ARG C C 78 175.270 176.055 -0.785 1
1 178 . 15 1 1 A 18 18 ARG CA C 78 56.350 55.092 1.258 1
1 179 . 15 1 1 A 18 18 ARG CB C 78 31.310 31.521 -0.211 1
1 182 . 15 1 1 A 18 18 ARG N N 78 124.390 120.311 4.079 1
1 183 . 15 1 1 A 19 19 ALA H H 79 8.340 8.478 -0.138 1
1 184 . 15 1 1 A 19 19 ALA HA H 79 4.170 4.324 -0.154 1
1 188 . 15 1 1 A 19 19 ALA C C 79 177.620 177.305 0.315 1
1 189 . 15 1 1 A 19 19 ALA CA C 79 52.710 51.918 0.792 1
1 190 . 15 1 1 A 19 19 ALA CB C 79 18.710 18.838 -0.128 1
1 191 . 15 1 1 A 19 19 ALA N N 79 123.880 125.355 -1.475 1
1 192 . 15 1 1 A 20 20 ALA H H 80 8.470 8.535 -0.065 1
1 193 . 15 1 1 A 20 20 ALA HA H 80 3.540 4.299 -0.759 1
1 197 . 15 1 1 A 20 20 ALA C C 80 177.560 177.477 0.083 1
1 198 . 15 1 1 A 20 20 ALA CA C 80 52.840 52.322 0.518 1
1 199 . 15 1 1 A 20 20 ALA CB C 80 19.050 19.474 -0.424 1
1 200 . 15 1 1 A 20 20 ALA N N 80 124.580 122.450 2.130 1
1 201 . 15 1 1 A 21 21 GLY H H 81 8.090 8.303 -0.213 1
1 202 . 15 1 1 A 21 21 GLY HA2 H 81 3.800 4.096 -0.296 1
1 203 . 15 1 1 A 21 21 GLY HA3 H 81 4.430 4.127 0.303 1
1 204 . 15 1 1 A 21 21 GLY C C 81 173.170 174.482 -1.312 1
1 205 . 15 1 1 A 21 21 GLY CA C 81 44.390 44.931 -0.541 1
1 206 . 15 1 1 A 21 21 GLY N N 81 114.000 108.547 5.453 1
1 207 . 15 1 1 A 22 22 ASN H H 82 8.690 8.650 0.040 1
1 208 . 15 1 1 A 22 22 ASN HA H 82 4.650 5.052 -0.402 1
1 213 . 15 1 1 A 22 22 ASN C C 82 176.260 175.343 0.917 1
1 214 . 15 1 1 A 22 22 ASN CA C 82 53.580 54.106 -0.526 1
1 215 . 15 1 1 A 22 22 ASN CB C 82 39.580 41.727 -2.147 1
1 216 . 15 1 1 A 22 22 ASN N N 82 118.160 123.293 -5.133 1
1 218 . 15 1 1 A 23 23 ALA H H 83 8.720 7.691 1.029 1
1 219 . 15 1 1 A 23 23 ALA HA H 83 4.570 4.396 0.174 1
1 223 . 15 1 1 A 23 23 ALA C C 83 175.910 176.905 -0.995 1
1 224 . 15 1 1 A 23 23 ALA CA C 83 52.340 52.637 -0.297 1
1 225 . 15 1 1 A 23 23 ALA CB C 83 19.370 19.973 -0.603 1
1 226 . 15 1 1 A 23 23 ALA N N 83 125.180 121.714 3.466 1
1 227 . 15 1 1 A 24 24 SER H H 84 7.970 8.757 -0.787 1
1 228 . 15 1 1 A 24 24 SER HA H 84 5.310 5.169 0.141 1
1 230 . 15 1 1 A 24 24 SER C C 84 174.620 172.728 1.892 1
1 231 . 15 1 1 A 24 24 SER CA C 84 56.550 56.487 0.063 1
1 232 . 15 1 1 A 24 24 SER CB C 84 66.420 65.975 0.445 1
1 233 . 15 1 1 A 24 24 SER N N 84 112.840 110.857 1.983 1
1 234 . 15 1 1 A 25 25 PHE H H 85 9.580 8.984 0.596 1
1 235 . 15 1 1 A 25 25 PHE HA H 85 4.320 4.881 -0.561 1
1 241 . 15 1 1 A 25 25 PHE C C 85 173.430 174.948 -1.518 1
1 242 . 15 1 1 A 25 25 PHE CA C 85 57.780 56.711 1.069 1
1 243 . 15 1 1 A 25 25 PHE CB C 85 38.780 39.599 -0.819 1
1 247 . 15 1 1 A 25 25 PHE N N 85 125.520 124.252 1.268 1
1 248 . 15 1 1 A 26 26 SER H H 86 6.780 8.361 -1.581 1
1 249 . 15 1 1 A 26 26 SER HA H 86 4.430 4.821 -0.391 1
1 252 . 15 1 1 A 26 26 SER C C 86 174.200 175.058 -0.858 1
1 253 . 15 1 1 A 26 26 SER CA C 86 56.610 56.046 0.564 1
1 254 . 15 1 1 A 26 26 SER CB C 86 66.010 64.589 1.421 1
1 255 . 15 1 1 A 26 26 SER N N 86 118.860 119.440 -0.580 1
1 256 . 15 1 1 A 27 27 LYS H H 87 8.710 8.679 0.031 1
1 257 . 15 1 1 A 27 27 LYS HA H 87 3.850 3.781 0.069 1
1 263 . 15 1 1 A 27 27 LYS C C 87 178.490 178.033 0.457 1
1 264 . 15 1 1 A 27 27 LYS CA C 87 59.390 59.406 -0.016 1
1 265 . 15 1 1 A 27 27 LYS CB C 87 31.970 32.259 -0.289 1
1 269 . 15 1 1 A 27 27 LYS N N 87 121.790 120.980 0.810 1
1 270 . 15 1 1 A 28 28 ARG H H 88 8.010 7.747 0.263 1
1 271 . 15 1 1 A 28 28 ARG HA H 88 3.990 3.999 -0.009 1
1 277 . 15 1 1 A 28 28 ARG C C 88 178.890 178.667 0.223 1
1 278 . 15 1 1 A 28 28 ARG CA C 88 59.010 58.695 0.315 1
1 279 . 15 1 1 A 28 28 ARG CB C 88 30.120 29.929 0.191 1
1 282 . 15 1 1 A 28 28 ARG N N 88 119.520 119.177 0.343 1
1 283 . 15 1 1 A 29 29 ILE H H 89 7.350 7.889 -0.539 1
1 284 . 15 1 1 A 29 29 ILE HA H 89 3.680 3.623 0.057 1
1 294 . 15 1 1 A 29 29 ILE C C 89 177.620 177.580 0.040 1
1 295 . 15 1 1 A 29 29 ILE CA C 89 63.170 65.081 -1.911 1
1 296 . 15 1 1 A 29 29 ILE CB C 89 36.900 37.336 -0.436 1
1 300 . 15 1 1 A 29 29 ILE N N 89 121.980 120.174 1.806 1
1 301 . 15 1 1 A 30 30 GLN H H 90 7.990 7.521 0.469 1
1 302 . 15 1 1 A 30 30 GLN HA H 90 3.630 3.958 -0.328 1
1 308 . 15 1 1 A 30 30 GLN C C 90 178.320 178.339 -0.019 1
1 309 . 15 1 1 A 30 30 GLN CA C 90 59.200 59.262 -0.062 1
1 310 . 15 1 1 A 30 30 GLN CB C 90 28.700 28.104 0.596 1
1 312 . 15 1 1 A 30 30 GLN N N 90 121.020 119.734 1.286 1
1 314 . 15 1 1 A 31 31 LYS H H 91 7.990 8.314 -0.324 1
1 315 . 15 1 1 A 31 31 LYS HA H 91 4.090 4.035 0.055 1
1 321 . 15 1 1 A 31 31 LYS C C 91 178.650 179.298 -0.648 1
1 322 . 15 1 1 A 31 31 LYS CA C 91 58.720 59.227 -0.507 1
1 323 . 15 1 1 A 31 31 LYS CB C 91 32.220 32.230 -0.010 1
1 327 . 15 1 1 A 31 31 LYS N N 91 119.520 118.927 0.593 1
1 328 . 15 1 1 A 32 32 SER H H 92 7.770 7.996 -0.226 1
1 329 . 15 1 1 A 32 32 SER HA H 92 4.320 4.223 0.097 1
1 332 . 15 1 1 A 32 32 SER C C 92 176.110 176.607 -0.497 1
1 333 . 15 1 1 A 32 32 SER CA C 92 61.260 60.922 0.338 1
1 334 . 15 1 1 A 32 32 SER CB C 92 63.610 63.122 0.488 1
1 335 . 15 1 1 A 32 32 SER N N 92 116.310 114.475 1.835 1
1 336 . 15 1 1 A 33 33 ILE H H 93 7.960 7.654 0.306 1
1 337 . 15 1 1 A 33 33 ILE HA H 93 3.920 3.983 -0.063 1
1 347 . 15 1 1 A 33 33 ILE C C 93 177.480 178.005 -0.525 1
1 348 . 15 1 1 A 33 33 ILE CA C 93 63.610 62.300 1.310 1
1 349 . 15 1 1 A 33 33 ILE CB C 93 38.330 36.660 1.670 1
1 353 . 15 1 1 A 33 33 ILE N N 93 119.950 121.965 -2.015 1
1 354 . 15 1 1 A 34 34 SER H H 94 7.970 8.272 -0.302 1
1 355 . 15 1 1 A 34 34 SER HA H 94 4.390 4.053 0.337 1
1 357 . 15 1 1 A 34 34 SER C C 94 176.490 176.022 0.468 1
1 358 . 15 1 1 A 34 34 SER CA C 94 60.560 62.050 -1.490 1
1 359 . 15 1 1 A 34 34 SER CB C 94 63.130 62.956 0.174 1
1 360 . 15 1 1 A 34 34 SER N N 94 117.230 116.333 0.897 1
1 361 . 15 1 1 A 35 35 GLN H H 95 8.220 7.990 0.230 1
1 362 . 15 1 1 A 35 35 GLN HA H 95 4.260 4.061 0.199 1
1 369 . 15 1 1 A 35 35 GLN C C 95 177.050 178.437 -1.387 1
1 370 . 15 1 1 A 35 35 GLN CA C 95 57.360 59.090 -1.730 1
1 371 . 15 1 1 A 35 35 GLN CB C 95 28.900 28.501 0.399 1
1 373 . 15 1 1 A 35 35 GLN N N 95 121.530 120.959 0.571 1
1 375 . 15 1 1 A 36 36 LYS H H 96 7.870 7.233 0.637 1
1 376 . 15 1 1 A 36 36 LYS HA H 96 4.280 4.146 0.134 1
1 383 . 15 1 1 A 36 36 LYS C C 96 176.160 176.815 -0.655 1
1 384 . 15 1 1 A 36 36 LYS CA C 96 56.570 58.623 -2.053 1
1 385 . 15 1 1 A 36 36 LYS CB C 96 33.600 32.886 0.714 1
1 389 . 15 1 1 A 36 36 LYS N N 96 118.550 116.200 2.350 1
1 390 . 15 1 1 A 37 37 LYS H H 97 8.110 8.783 -0.673 1
1 391 . 15 1 1 A 37 37 LYS HA H 97 4.110 3.947 0.163 1
1 396 . 15 1 1 A 37 37 LYS C C 97 176.210 175.255 0.955 1
1 397 . 15 1 1 A 37 37 LYS CA C 97 57.230 57.053 0.177 1
1 398 . 15 1 1 A 37 37 LYS CB C 97 30.580 31.058 -0.478 1
1 402 . 15 1 1 A 37 37 LYS N N 97 117.680 118.866 -1.186 1
1 403 . 15 1 1 A 38 38 VAL H H 98 7.430 7.828 -0.398 1
1 404 . 15 1 1 A 38 38 VAL HA H 98 4.350 4.972 -0.622 1
1 412 . 15 1 1 A 38 38 VAL C C 98 175.830 174.600 1.230 1
1 413 . 15 1 1 A 38 38 VAL CA C 98 60.580 58.603 1.977 1
1 414 . 15 1 1 A 38 38 VAL CB C 98 33.410 34.977 -1.567 1
1 417 . 15 1 1 A 38 38 VAL N N 98 115.860 114.707 1.153 1
1 418 . 15 1 1 A 39 39 LYS H H 99 8.960 8.318 0.642 1
1 419 . 15 1 1 A 39 39 LYS HA H 99 4.430 4.398 0.032 1
1 425 . 15 1 1 A 39 39 LYS C C 99 175.700 174.505 1.195 1
1 426 . 15 1 1 A 39 39 LYS CA C 99 55.420 56.166 -0.746 1
1 427 . 15 1 1 A 39 39 LYS CB C 99 30.580 30.600 -0.020 1
1 431 . 15 1 1 A 39 39 LYS N N 99 127.710 120.609 7.101 1
1 432 . 15 1 1 A 40 40 ILE H H 100 7.660 7.953 -0.293 1
1 433 . 15 1 1 A 40 40 ILE HA H 100 5.020 4.848 0.172 1
1 443 . 15 1 1 A 40 40 ILE C C 100 174.520 174.987 -0.467 1
1 444 . 15 1 1 A 40 40 ILE CA C 100 59.370 60.616 -1.246 1
1 445 . 15 1 1 A 40 40 ILE CB C 100 40.650 39.859 0.791 1
1 449 . 15 1 1 A 40 40 ILE N N 100 123.140 124.391 -1.251 1
1 450 . 15 1 1 A 41 41 GLU H H 101 8.490 8.958 -0.468 1
1 451 . 15 1 1 A 41 41 GLU HA H 101 4.620 4.987 -0.367 1
1 456 . 15 1 1 A 41 41 GLU C C 101 173.590 174.924 -1.334 1
1 457 . 15 1 1 A 41 41 GLU CA C 101 53.740 54.373 -0.633 1
1 458 . 15 1 1 A 41 41 GLU CB C 101 34.580 33.290 1.290 1
1 460 . 15 1 1 A 41 41 GLU N N 101 123.460 124.523 -1.063 1
1 461 . 15 1 1 A 42 42 LEU H H 102 8.490 8.264 0.226 1
1 462 . 15 1 1 A 42 42 LEU HA H 102 3.790 4.344 -0.554 1
1 472 . 15 1 1 A 42 42 LEU C C 102 176.440 176.235 0.205 1
1 473 . 15 1 1 A 42 42 LEU CA C 102 55.190 54.762 0.428 1
1 474 . 15 1 1 A 42 42 LEU CB C 102 43.100 42.739 0.361 1
1 478 . 15 1 1 A 42 42 LEU N N 102 123.470 124.662 -1.192 1
1 479 . 15 1 1 A 43 43 ASP H H 103 8.770 8.037 0.733 1
1 480 . 15 1 1 A 43 43 ASP HA H 103 4.520 4.594 -0.074 1
1 483 . 15 1 1 A 43 43 ASP C C 103 177.600 175.992 1.608 1
1 484 . 15 1 1 A 43 43 ASP CA C 103 53.740 54.045 -0.305 1
1 485 . 15 1 1 A 43 43 ASP CB C 103 41.880 42.303 -0.423 1
1 486 . 15 1 1 A 43 43 ASP N N 103 127.210 125.737 1.473 1
1 487 . 15 1 1 A 44 44 LYS H H 104 8.910 8.858 0.052 1
1 488 . 15 1 1 A 44 44 LYS HA H 104 3.920 4.391 -0.471 1
1 495 . 15 1 1 A 44 44 LYS C C 104 177.340 178.050 -0.710 1
1 496 . 15 1 1 A 44 44 LYS CA C 104 58.930 56.317 2.613 1
1 497 . 15 1 1 A 44 44 LYS CB C 104 32.000 32.913 -0.913 1
1 501 . 15 1 1 A 44 44 LYS N N 104 129.080 125.592 3.488 1
1 502 . 15 1 1 A 45 45 SER H H 105 8.740 7.616 1.124 1
1 503 . 15 1 1 A 45 45 SER HA H 105 4.370 4.338 0.032 1
1 506 . 15 1 1 A 45 45 SER C C 105 175.040 175.046 -0.006 1
1 507 . 15 1 1 A 45 45 SER CA C 105 59.150 59.214 -0.064 1
1 508 . 15 1 1 A 45 45 SER CB C 105 63.830 63.399 0.431 1
1 509 . 15 1 1 A 45 45 SER N N 105 115.270 112.715 2.555 1
1 510 . 15 1 1 A 46 46 ALA H H 106 7.430 7.332 0.098 1
1 511 . 15 1 1 A 46 46 ALA HA H 106 4.150 4.218 -0.068 1
1 515 . 15 1 1 A 46 46 ALA CA C 106 53.300 52.343 0.957 1
1 516 . 15 1 1 A 46 46 ALA CB C 106 19.190 19.745 -0.555 1
1 517 . 15 1 1 A 46 46 ALA N N 106 125.120 125.622 -0.502 1
1 518 . 15 1 1 A 47 47 ARG HA H 107 4.280 4.517 -0.237 1
1 526 . 15 1 1 A 48 48 HIS HA H 108 4.650 4.892 -0.242 1
1 531 . 15 1 1 A 48 48 HIS C C 108 173.160 172.422 0.738 1
1 532 . 15 1 1 A 48 48 HIS CA C 108 54.990 54.515 0.475 1
1 533 . 15 1 1 A 48 48 HIS CB C 108 33.400 31.435 1.965 1
1 538 . 15 1 1 A 49 49 LEU H H 109 8.030 8.379 -0.349 1
1 539 . 15 1 1 A 49 49 LEU HA H 109 5.040 4.569 0.471 1
1 549 . 15 1 1 A 49 49 LEU CA C 109 54.480 53.800 0.680 1
1 550 . 15 1 1 A 49 49 LEU CB C 109 43.010 42.735 0.275 1
1 554 . 15 1 1 A 49 49 LEU N N 109 120.130 119.435 0.695 1
1 555 . 15 1 1 A 50 50 TYR HA H 110 5.020 5.229 -0.209 1
1 560 . 15 1 1 A 50 50 TYR C C 110 176.960 175.812 1.148 1
1 561 . 15 1 1 A 50 50 TYR CA C 110 60.340 56.712 3.628 1
1 562 . 15 1 1 A 50 50 TYR CB C 110 39.210 40.905 -1.695 1
1 565 . 15 1 1 A 51 51 ILE H H 111 8.510 8.839 -0.329 1
1 566 . 15 1 1 A 51 51 ILE HA H 111 5.960 4.720 1.240 1
1 576 . 15 1 1 A 51 51 ILE C C 111 177.900 176.224 1.676 1
1 577 . 15 1 1 A 51 51 ILE CA C 111 58.100 59.870 -1.770 1
1 578 . 15 1 1 A 51 51 ILE CB C 111 41.370 39.708 1.662 1
1 582 . 15 1 1 A 51 51 ILE N N 111 115.050 121.178 -6.128 1
1 583 . 15 1 1 A 52 52 CYS H H 112 9.830 8.818 1.012 1
1 584 . 15 1 1 A 52 52 CYS HA H 112 5.000 4.822 0.178 1
1 587 . 15 1 1 A 52 52 CYS C C 112 175.420 175.474 -0.054 1
1 588 . 15 1 1 A 52 52 CYS CA C 112 57.770 57.776 -0.006 1
1 589 . 15 1 1 A 52 52 CYS CB C 112 33.120 30.172 2.948 1
1 590 . 15 1 1 A 52 52 CYS N N 112 125.820 121.892 3.928 1
1 591 . 15 1 1 A 53 53 ASP H H 113 9.000 9.035 -0.035 1
1 592 . 15 1 1 A 53 53 ASP HA H 113 4.510 4.327 0.183 1
1 594 . 15 1 1 A 53 53 ASP C C 113 178.140 177.535 0.605 1
1 595 . 15 1 1 A 53 53 ASP CA C 113 57.330 57.554 -0.224 1
1 596 . 15 1 1 A 53 53 ASP CB C 113 39.730 40.749 -1.019 1
1 597 . 15 1 1 A 53 53 ASP N N 113 121.960 122.360 -0.400 1
1 598 . 15 1 1 A 54 54 TYR H H 114 8.220 8.254 -0.034 1
1 599 . 15 1 1 A 54 54 TYR HA H 114 4.100 4.113 -0.013 1
1 604 . 15 1 1 A 54 54 TYR C C 114 178.410 177.133 1.277 1
1 605 . 15 1 1 A 54 54 TYR CA C 114 61.970 61.855 0.115 1
1 606 . 15 1 1 A 54 54 TYR CB C 114 37.150 38.744 -1.594 1
1 609 . 15 1 1 A 54 54 TYR N N 114 123.510 120.835 2.675 1
1 610 . 15 1 1 A 55 55 HIS H H 115 10.090 7.813 2.277 1
1 611 . 15 1 1 A 55 55 HIS HA H 115 4.040 4.204 -0.164 1
1 616 . 15 1 1 A 55 55 HIS C C 115 177.240 177.449 -0.209 1
1 617 . 15 1 1 A 55 55 HIS CA C 115 63.870 59.767 4.103 1
1 618 . 15 1 1 A 55 55 HIS CB C 115 29.600 29.679 -0.079 1
1 621 . 15 1 1 A 55 55 HIS N N 115 124.830 117.036 7.794 1
1 624 . 15 1 1 A 56 56 LYS H H 116 8.830 8.322 0.508 1
1 625 . 15 1 1 A 56 56 LYS HA H 116 3.720 3.896 -0.176 1
1 633 . 15 1 1 A 56 56 LYS C C 116 178.140 178.949 -0.809 1
1 634 . 15 1 1 A 56 56 LYS CA C 116 60.590 60.041 0.549 1
1 635 . 15 1 1 A 56 56 LYS CB C 116 32.230 32.455 -0.225 1
1 639 . 15 1 1 A 56 56 LYS N N 116 123.340 120.491 2.849 1
1 640 . 15 1 1 A 57 57 ASN H H 117 8.140 8.071 0.069 1
1 641 . 15 1 1 A 57 57 ASN HA H 117 4.340 4.501 -0.161 1
1 646 . 15 1 1 A 57 57 ASN C C 117 177.570 177.385 0.185 1
1 647 . 15 1 1 A 57 57 ASN CA C 117 55.890 56.202 -0.312 1
1 648 . 15 1 1 A 57 57 ASN CB C 117 38.070 38.716 -0.646 1
1 649 . 15 1 1 A 57 57 ASN N N 117 116.920 118.347 -1.427 1
1 651 . 15 1 1 A 58 58 LEU H H 118 7.890 7.682 0.208 1
1 652 . 15 1 1 A 58 58 LEU HA H 118 3.930 3.960 -0.030 1
1 662 . 15 1 1 A 58 58 LEU C C 118 179.400 178.854 0.546 1
1 663 . 15 1 1 A 58 58 LEU CA C 118 58.420 58.027 0.393 1
1 664 . 15 1 1 A 58 58 LEU CB C 118 43.170 41.626 1.544 1
1 668 . 15 1 1 A 58 58 LEU N N 118 123.590 120.119 3.471 1
1 669 . 15 1 1 A 59 59 ILE H H 119 8.360 8.034 0.326 1
1 670 . 15 1 1 A 59 59 ILE HA H 119 3.470 3.933 -0.463 1
1 680 . 15 1 1 A 59 59 ILE C C 119 177.290 178.501 -1.211 1
1 681 . 15 1 1 A 59 59 ILE CA C 119 65.260 64.324 0.936 1
1 682 . 15 1 1 A 59 59 ILE CB C 119 38.330 38.033 0.297 1
1 686 . 15 1 1 A 59 59 ILE N N 119 118.630 119.272 -0.642 1
1 687 . 15 1 1 A 60 60 GLN H H 120 7.830 8.497 -0.667 1
1 688 . 15 1 1 A 60 60 GLN HA H 120 4.130 4.027 0.103 1
1 694 . 15 1 1 A 60 60 GLN C C 120 177.240 178.052 -0.812 1
1 695 . 15 1 1 A 60 60 GLN CA C 120 57.750 59.224 -1.474 1
1 696 . 15 1 1 A 60 60 GLN CB C 120 28.910 28.230 0.680 1
1 698 . 15 1 1 A 60 60 GLN N N 120 117.840 120.425 -2.585 1
1 700 . 15 1 1 A 61 61 SER H H 121 7.790 7.723 0.067 1
1 701 . 15 1 1 A 61 61 SER HA H 121 4.300 4.425 -0.125 1
1 703 . 15 1 1 A 61 61 SER C C 121 175.650 173.647 2.003 1
1 704 . 15 1 1 A 61 61 SER CA C 121 60.090 59.282 0.808 1
1 705 . 15 1 1 A 61 61 SER CB C 121 63.570 63.614 -0.044 1
1 706 . 15 1 1 A 61 61 SER N N 121 115.460 112.949 2.511 1
1 707 . 15 1 1 A 62 62 VAL H H 122 8.020 7.140 0.880 1
1 708 . 15 1 1 A 62 62 VAL HA H 122 4.020 4.232 -0.212 1
1 716 . 15 1 1 A 62 62 VAL C C 122 176.960 175.778 1.182 1
1 717 . 15 1 1 A 62 62 VAL CA C 122 63.600 60.970 2.630 1
1 718 . 15 1 1 A 62 62 VAL CB C 122 32.300 32.089 0.211 1
1 721 . 15 1 1 A 62 62 VAL N N 122 121.600 122.715 -1.115 1
1 722 . 15 1 1 A 63 63 ARG H H 123 8.130 8.971 -0.841 1
1 723 . 15 1 1 A 63 63 ARG HA H 123 4.190 3.873 0.317 1
1 729 . 15 1 1 A 63 63 ARG C C 123 176.490 176.671 -0.181 1
1 730 . 15 1 1 A 63 63 ARG CA C 123 57.070 56.860 0.210 1
1 731 . 15 1 1 A 63 63 ARG CB C 123 30.780 27.846 2.934 1
1 734 . 15 1 1 A 63 63 ARG N N 123 122.770 127.885 -5.115 1
1 735 . 15 1 1 A 64 64 ASN H H 124 8.210 8.239 -0.029 1
1 736 . 15 1 1 A 64 64 ASN HA H 124 4.650 4.544 0.106 1
1 741 . 15 1 1 A 64 64 ASN C C 124 175.310 175.740 -0.430 1
1 742 . 15 1 1 A 64 64 ASN CA C 124 53.500 54.593 -1.093 1
1 743 . 15 1 1 A 64 64 ASN CB C 124 38.840 36.876 1.964 1
1 744 . 15 1 1 A 64 64 ASN N N 124 119.350 115.288 4.062 1
1 746 . 15 1 1 A 65 65 ARG H H 125 8.100 7.770 0.330 1
1 747 . 15 1 1 A 65 65 ARG HA H 125 4.270 4.514 -0.244 1
1 752 . 15 1 1 A 65 65 ARG C C 125 176.310 176.541 -0.231 1
1 753 . 15 1 1 A 65 65 ARG CA C 125 56.580 55.577 1.003 1
1 754 . 15 1 1 A 65 65 ARG CB C 125 30.810 30.800 0.010 1
1 757 . 15 1 1 A 65 65 ARG N N 125 122.230 118.849 3.381 1
1 758 . 15 1 1 A 66 66 ARG H H 126 8.260 7.951 0.309 1
1 759 . 15 1 1 A 66 66 ARG HA H 126 4.270 4.430 -0.160 1
1 764 . 15 1 1 A 66 66 ARG C C 126 176.210 175.777 0.433 1
1 765 . 15 1 1 A 66 66 ARG CA C 126 56.190 56.063 0.127 1
1 766 . 15 1 1 A 66 66 ARG CB C 126 30.810 30.867 -0.057 1
1 769 . 15 1 1 A 66 66 ARG N N 126 122.760 123.085 -0.325 1
1 770 . 15 1 1 A 67 67 LYS H H 127 8.270 7.481 0.789 1
1 771 . 15 1 1 A 67 67 LYS HA H 127 4.260 4.730 -0.470 1
1 776 . 15 1 1 A 67 67 LYS C C 127 176.450 174.325 2.125 1
1 777 . 15 1 1 A 67 67 LYS CA C 127 56.320 55.675 0.645 1
1 778 . 15 1 1 A 67 67 LYS CB C 127 33.180 33.518 -0.338 1
1 782 . 15 1 1 A 67 67 LYS N N 127 123.620 119.924 3.696 1
1 783 . 15 1 1 A 68 68 ARG H H 128 8.340 8.916 -0.576 1
1 784 . 15 1 1 A 68 68 ARG HA H 128 4.270 5.036 -0.766 1
1 788 . 15 1 1 A 68 68 ARG C C 128 176.250 175.710 0.540 1
1 789 . 15 1 1 A 68 68 ARG CA C 128 56.130 54.031 2.099 1
1 790 . 15 1 1 A 68 68 ARG CB C 128 31.060 34.166 -3.106 1
1 793 . 15 1 1 A 68 68 ARG N N 128 123.750 124.532 -0.782 1
1 794 . 15 1 1 A 69 69 LYS H H 129 8.450 8.307 0.143 1
1 795 . 15 1 1 A 69 69 LYS HA H 129 4.250 4.616 -0.366 1
1 800 . 15 1 1 A 69 69 LYS C C 129 177.010 176.697 0.313 1
1 801 . 15 1 1 A 69 69 LYS CA C 129 57.000 55.737 1.263 1
1 802 . 15 1 1 A 69 69 LYS CB C 129 32.940 32.109 0.831 1
1 806 . 15 1 1 A 69 69 LYS N N 129 124.580 119.936 4.644 1
1 807 . 15 1 1 A 70 70 GLY H H 130 8.500 7.557 0.943 1
1 808 . 15 1 1 A 70 70 GLY HA2 H 130 3.910 3.987 -0.077 1
1 809 . 15 1 1 A 70 70 GLY HA3 H 130 4.010 3.987 0.023 1
1 810 . 15 1 1 A 70 70 GLY C C 130 173.360 174.392 -1.032 1
1 811 . 15 1 1 A 70 70 GLY CA C 130 45.370 45.516 -0.146 1
1 812 . 15 1 1 A 70 70 GLY N N 130 112.470 109.374 3.096 1
1 6 . 16 1 1 A 2 2 ASN HA H 62 4.610 4.742 -0.132 1
1 10 . 16 1 1 A 2 2 ASN C C 62 174.760 175.631 -0.871 1
1 11 . 16 1 1 A 2 2 ASN CA C 62 53.100 53.268 -0.168 1
1 12 . 16 1 1 A 2 2 ASN CB C 62 38.790 39.744 -0.954 1
1 14 . 16 1 1 A 3 3 ALA H H 63 8.300 7.650 0.650 1
1 15 . 16 1 1 A 3 3 ALA HA H 63 4.200 4.315 -0.115 1
1 19 . 16 1 1 A 3 3 ALA C C 63 178.180 176.838 1.342 1
1 20 . 16 1 1 A 3 3 ALA CA C 63 53.070 51.577 1.493 1
1 21 . 16 1 1 A 3 3 ALA CB C 63 18.960 17.726 1.234 1
1 22 . 16 1 1 A 3 3 ALA N N 63 125.390 121.388 4.002 1
1 23 . 16 1 1 A 4 4 GLY H H 64 8.340 8.130 0.210 1
1 24 . 16 1 1 A 4 4 GLY HA2 H 64 3.800 4.060 -0.260 1
1 25 . 16 1 1 A 4 4 GLY HA3 H 64 3.860 4.083 -0.223 1
1 26 . 16 1 1 A 4 4 GLY C C 64 174.010 174.422 -0.412 1
1 27 . 16 1 1 A 4 4 GLY CA C 64 45.350 45.558 -0.208 1
1 28 . 16 1 1 A 4 4 GLY N N 64 109.300 109.720 -0.420 1
1 29 . 16 1 1 A 5 5 GLN H H 65 7.950 8.097 -0.147 1
1 30 . 16 1 1 A 5 5 GLN HA H 65 4.330 4.203 0.127 1
1 35 . 16 1 1 A 5 5 GLN C C 65 175.560 174.875 0.685 1
1 36 . 16 1 1 A 5 5 GLN CA C 65 55.400 56.675 -1.275 1
1 37 . 16 1 1 A 5 5 GLN CB C 65 29.860 29.785 0.075 1
1 39 . 16 1 1 A 5 5 GLN N N 65 119.540 120.397 -0.857 1
1 41 . 16 1 1 A 6 6 LEU H H 66 8.740 8.460 0.280 1
1 42 . 16 1 1 A 6 6 LEU HA H 66 4.610 5.003 -0.393 1
1 52 . 16 1 1 A 6 6 LEU C C 66 175.750 175.871 -0.121 1
1 53 . 16 1 1 A 6 6 LEU CA C 66 54.010 53.542 0.468 1
1 54 . 16 1 1 A 6 6 LEU CB C 66 43.490 44.727 -1.237 1
1 58 . 16 1 1 A 6 6 LEU N N 66 126.120 121.596 4.524 1
1 59 . 16 1 1 A 7 7 CYS H H 67 8.470 8.858 -0.388 1
1 60 . 16 1 1 A 7 7 CYS HA H 67 4.140 4.554 -0.414 1
1 63 . 16 1 1 A 7 7 CYS C C 67 175.320 175.645 -0.325 1
1 64 . 16 1 1 A 7 7 CYS CA C 67 60.780 59.819 0.961 1
1 65 . 16 1 1 A 7 7 CYS CB C 67 32.850 28.172 4.678 1
1 66 . 16 1 1 A 7 7 CYS N N 67 123.170 123.148 0.022 1
1 67 . 16 1 1 A 8 8 CYS H H 68 8.170 8.672 -0.502 1
1 68 . 16 1 1 A 8 8 CYS HA H 68 4.280 4.787 -0.507 1
1 72 . 16 1 1 A 8 8 CYS C C 68 172.410 172.938 -0.528 1
1 73 . 16 1 1 A 8 8 CYS CA C 68 58.920 58.359 0.561 1
1 74 . 16 1 1 A 8 8 CYS CB C 68 28.920 28.277 0.643 1
1 75 . 16 1 1 A 8 8 CYS N N 68 124.700 123.709 0.991 1
1 76 . 16 1 1 A 9 9 LEU H H 69 8.180 7.110 1.070 1
1 77 . 16 1 1 A 9 9 LEU HA H 69 4.580 4.846 -0.266 1
1 87 . 16 1 1 A 9 9 LEU C C 69 176.770 175.799 0.971 1
1 88 . 16 1 1 A 9 9 LEU CA C 69 54.760 53.438 1.322 1
1 89 . 16 1 1 A 9 9 LEU CB C 69 43.150 45.932 -2.782 1
1 93 . 16 1 1 A 9 9 LEU N N 69 122.650 122.047 0.603 1
1 94 . 16 1 1 A 10 10 ARG H H 70 8.880 8.727 0.153 1
1 95 . 16 1 1 A 10 10 ARG HA H 70 4.770 5.371 -0.601 1
1 102 . 16 1 1 A 10 10 ARG C C 70 174.900 174.082 0.818 1
1 103 . 16 1 1 A 10 10 ARG CA C 70 54.710 54.226 0.484 1
1 104 . 16 1 1 A 10 10 ARG CB C 70 33.390 33.179 0.211 1
1 107 . 16 1 1 A 10 10 ARG N N 70 117.650 120.728 -3.078 1
1 108 . 16 1 1 A 11 11 GLU H H 71 8.640 9.014 -0.374 1
1 109 . 16 1 1 A 11 11 GLU HA H 71 5.090 4.733 0.357 1
1 113 . 16 1 1 A 11 11 GLU C C 71 176.070 175.842 0.228 1
1 114 . 16 1 1 A 11 11 GLU CA C 71 54.270 55.098 -0.828 1
1 115 . 16 1 1 A 11 11 GLU CB C 71 32.460 31.133 1.327 1
1 117 . 16 1 1 A 11 11 GLU N N 71 123.910 125.228 -1.318 1
1 118 . 16 1 1 A 12 12 ASP H H 72 9.510 9.623 -0.113 1
1 119 . 16 1 1 A 12 12 ASP HA H 72 4.270 4.293 -0.023 1
1 122 . 16 1 1 A 12 12 ASP C C 72 175.890 175.147 0.743 1
1 123 . 16 1 1 A 12 12 ASP CA C 72 55.880 55.035 0.845 1
1 124 . 16 1 1 A 12 12 ASP CB C 72 39.910 39.780 0.130 1
1 125 . 16 1 1 A 12 12 ASP N N 72 129.440 127.283 2.157 1
1 126 . 16 1 1 A 13 13 GLY H H 73 8.970 8.276 0.694 1
1 127 . 16 1 1 A 13 13 GLY HA2 H 73 3.520 3.892 -0.372 1
1 128 . 16 1 1 A 13 13 GLY HA3 H 73 4.200 3.897 0.303 1
1 129 . 16 1 1 A 13 13 GLY C C 73 173.960 174.303 -0.343 1
1 130 . 16 1 1 A 13 13 GLY CA C 73 45.350 45.190 0.160 1
1 131 . 16 1 1 A 13 13 GLY N N 73 103.500 104.289 -0.789 1
1 132 . 16 1 1 A 14 14 GLU H H 74 7.660 7.693 -0.033 1
1 133 . 16 1 1 A 14 14 GLU HA H 74 4.640 4.411 0.229 1
1 138 . 16 1 1 A 14 14 GLU C C 74 176.170 175.878 0.292 1
1 139 . 16 1 1 A 14 14 GLU CA C 74 54.460 55.946 -1.486 1
1 140 . 16 1 1 A 14 14 GLU CB C 74 32.050 30.682 1.368 1
1 142 . 16 1 1 A 14 14 GLU N N 74 121.330 121.121 0.209 1
1 143 . 16 1 1 A 15 15 ARG H H 75 9.000 8.479 0.521 1
1 144 . 16 1 1 A 15 15 ARG HA H 75 4.120 4.411 -0.291 1
1 150 . 16 1 1 A 15 15 ARG C C 75 175.230 176.582 -1.352 1
1 151 . 16 1 1 A 15 15 ARG CA C 75 56.640 56.598 0.042 1
1 152 . 16 1 1 A 15 15 ARG CB C 75 29.720 31.455 -1.735 1
1 155 . 16 1 1 A 15 15 ARG N N 75 127.990 124.676 3.314 1
1 156 . 16 1 1 A 16 16 CYS H H 76 8.870 8.505 0.365 1
1 157 . 16 1 1 A 16 16 CYS HA H 76 4.170 4.251 -0.081 1
1 160 . 16 1 1 A 16 16 CYS CA C 76 61.840 61.584 0.256 1
1 161 . 16 1 1 A 16 16 CYS CB C 76 31.150 28.068 3.082 1
1 162 . 16 1 1 A 16 16 CYS N N 76 131.840 125.713 6.127 1
1 163 . 16 1 1 A 17 17 GLY H H 77 8.530 8.032 0.498 1
1 164 . 16 1 1 A 17 17 GLY HA2 H 77 3.680 3.961 -0.281 1
1 165 . 16 1 1 A 17 17 GLY HA3 H 77 4.340 3.978 0.362 1
1 166 . 16 1 1 A 17 17 GLY C C 77 174.620 174.334 0.286 1
1 167 . 16 1 1 A 17 17 GLY CA C 77 45.110 45.017 0.093 1
1 168 . 16 1 1 A 17 17 GLY N N 77 111.930 108.670 3.260 1
1 169 . 16 1 1 A 18 18 ARG H H 78 8.960 7.882 1.078 1
1 170 . 16 1 1 A 18 18 ARG HA H 78 4.290 4.281 0.009 1
1 177 . 16 1 1 A 18 18 ARG C C 78 175.270 175.969 -0.699 1
1 178 . 16 1 1 A 18 18 ARG CA C 78 56.350 56.334 0.016 1
1 179 . 16 1 1 A 18 18 ARG CB C 78 31.310 31.193 0.117 1
1 182 . 16 1 1 A 18 18 ARG N N 78 124.390 122.587 1.803 1
1 183 . 16 1 1 A 19 19 ALA H H 79 8.340 8.280 0.060 1
1 184 . 16 1 1 A 19 19 ALA HA H 79 4.170 4.422 -0.252 1
1 188 . 16 1 1 A 19 19 ALA C C 79 177.620 177.563 0.057 1
1 189 . 16 1 1 A 19 19 ALA CA C 79 52.710 52.625 0.085 1
1 190 . 16 1 1 A 19 19 ALA CB C 79 18.710 19.141 -0.431 1
1 191 . 16 1 1 A 19 19 ALA N N 79 123.880 127.225 -3.345 1
1 192 . 16 1 1 A 20 20 ALA H H 80 8.470 8.782 -0.312 1
1 193 . 16 1 1 A 20 20 ALA HA H 80 3.540 4.597 -1.057 1
1 197 . 16 1 1 A 20 20 ALA C C 80 177.560 177.828 -0.268 1
1 198 . 16 1 1 A 20 20 ALA CA C 80 52.840 51.989 0.851 1
1 199 . 16 1 1 A 20 20 ALA CB C 80 19.050 19.837 -0.787 1
1 200 . 16 1 1 A 20 20 ALA N N 80 124.580 123.043 1.537 1
1 201 . 16 1 1 A 21 21 GLY H H 81 8.090 8.998 -0.908 1
1 202 . 16 1 1 A 21 21 GLY HA2 H 81 3.800 4.154 -0.354 1
1 203 . 16 1 1 A 21 21 GLY HA3 H 81 4.430 4.187 0.243 1
1 204 . 16 1 1 A 21 21 GLY C C 81 173.170 174.398 -1.228 1
1 205 . 16 1 1 A 21 21 GLY CA C 81 44.390 44.568 -0.178 1
1 206 . 16 1 1 A 21 21 GLY N N 81 114.000 106.665 7.335 1
1 207 . 16 1 1 A 22 22 ASN H H 82 8.690 8.729 -0.039 1
1 208 . 16 1 1 A 22 22 ASN HA H 82 4.650 4.883 -0.233 1
1 213 . 16 1 1 A 22 22 ASN C C 82 176.260 175.447 0.813 1
1 214 . 16 1 1 A 22 22 ASN CA C 82 53.580 53.368 0.212 1
1 215 . 16 1 1 A 22 22 ASN CB C 82 39.580 40.101 -0.521 1
1 216 . 16 1 1 A 22 22 ASN N N 82 118.160 122.115 -3.955 1
1 218 . 16 1 1 A 23 23 ALA H H 83 8.720 7.654 1.066 1
1 219 . 16 1 1 A 23 23 ALA HA H 83 4.570 4.453 0.117 1
1 223 . 16 1 1 A 23 23 ALA C C 83 175.910 176.602 -0.692 1
1 224 . 16 1 1 A 23 23 ALA CA C 83 52.340 52.354 -0.014 1
1 225 . 16 1 1 A 23 23 ALA CB C 83 19.370 20.205 -0.835 1
1 226 . 16 1 1 A 23 23 ALA N N 83 125.180 121.149 4.031 1
1 227 . 16 1 1 A 24 24 SER H H 84 7.970 8.625 -0.655 1
1 228 . 16 1 1 A 24 24 SER HA H 84 5.310 5.159 0.151 1
1 230 . 16 1 1 A 24 24 SER C C 84 174.620 172.989 1.631 1
1 231 . 16 1 1 A 24 24 SER CA C 84 56.550 57.589 -1.039 1
1 232 . 16 1 1 A 24 24 SER CB C 84 66.420 66.504 -0.084 1
1 233 . 16 1 1 A 24 24 SER N N 84 112.840 115.499 -2.659 1
1 234 . 16 1 1 A 25 25 PHE H H 85 9.580 8.879 0.701 1
1 235 . 16 1 1 A 25 25 PHE HA H 85 4.320 4.538 -0.218 1
1 241 . 16 1 1 A 25 25 PHE C C 85 173.430 174.853 -1.423 1
1 242 . 16 1 1 A 25 25 PHE CA C 85 57.780 59.803 -2.023 1
1 243 . 16 1 1 A 25 25 PHE CB C 85 38.780 39.617 -0.837 1
1 247 . 16 1 1 A 25 25 PHE N N 85 125.520 126.997 -1.477 1
1 248 . 16 1 1 A 26 26 SER H H 86 6.780 8.218 -1.438 1
1 249 . 16 1 1 A 26 26 SER HA H 86 4.430 4.680 -0.250 1
1 252 . 16 1 1 A 26 26 SER C C 86 174.200 174.695 -0.495 1
1 253 . 16 1 1 A 26 26 SER CA C 86 56.610 56.241 0.369 1
1 254 . 16 1 1 A 26 26 SER CB C 86 66.010 65.796 0.214 1
1 255 . 16 1 1 A 26 26 SER N N 86 118.860 119.388 -0.528 1
1 256 . 16 1 1 A 27 27 LYS H H 87 8.710 8.929 -0.219 1
1 257 . 16 1 1 A 27 27 LYS HA H 87 3.850 3.754 0.096 1
1 263 . 16 1 1 A 27 27 LYS C C 87 178.490 178.892 -0.402 1
1 264 . 16 1 1 A 27 27 LYS CA C 87 59.390 59.835 -0.445 1
1 265 . 16 1 1 A 27 27 LYS CB C 87 31.970 32.608 -0.638 1
1 269 . 16 1 1 A 27 27 LYS N N 87 121.790 119.532 2.258 1
1 270 . 16 1 1 A 28 28 ARG H H 88 8.010 7.719 0.291 1
1 271 . 16 1 1 A 28 28 ARG HA H 88 3.990 4.024 -0.034 1
1 277 . 16 1 1 A 28 28 ARG C C 88 178.890 178.588 0.302 1
1 278 . 16 1 1 A 28 28 ARG CA C 88 59.010 58.666 0.344 1
1 279 . 16 1 1 A 28 28 ARG CB C 88 30.120 29.875 0.245 1
1 282 . 16 1 1 A 28 28 ARG N N 88 119.520 119.594 -0.074 1
1 283 . 16 1 1 A 29 29 ILE H H 89 7.350 7.540 -0.190 1
1 284 . 16 1 1 A 29 29 ILE HA H 89 3.680 3.669 0.011 1
1 294 . 16 1 1 A 29 29 ILE C C 89 177.620 177.669 -0.049 1
1 295 . 16 1 1 A 29 29 ILE CA C 89 63.170 65.236 -2.066 1
1 296 . 16 1 1 A 29 29 ILE CB C 89 36.900 37.019 -0.119 1
1 300 . 16 1 1 A 29 29 ILE N N 89 121.980 119.701 2.279 1
1 301 . 16 1 1 A 30 30 GLN H H 90 7.990 7.686 0.304 1
1 302 . 16 1 1 A 30 30 GLN HA H 90 3.630 3.988 -0.358 1
1 308 . 16 1 1 A 30 30 GLN C C 90 178.320 178.258 0.062 1
1 309 . 16 1 1 A 30 30 GLN CA C 90 59.200 59.237 -0.037 1
1 310 . 16 1 1 A 30 30 GLN CB C 90 28.700 28.096 0.604 1
1 312 . 16 1 1 A 30 30 GLN N N 90 121.020 120.408 0.612 1
1 314 . 16 1 1 A 31 31 LYS H H 91 7.990 7.956 0.034 1
1 315 . 16 1 1 A 31 31 LYS HA H 91 4.090 4.075 0.015 1
1 321 . 16 1 1 A 31 31 LYS C C 91 178.650 178.340 0.310 1
1 322 . 16 1 1 A 31 31 LYS CA C 91 58.720 59.303 -0.583 1
1 323 . 16 1 1 A 31 31 LYS CB C 91 32.220 32.150 0.070 1
1 327 . 16 1 1 A 31 31 LYS N N 91 119.520 120.080 -0.560 1
1 328 . 16 1 1 A 32 32 SER H H 92 7.770 7.906 -0.136 1
1 329 . 16 1 1 A 32 32 SER HA H 92 4.320 4.150 0.170 1
1 332 . 16 1 1 A 32 32 SER C C 92 176.110 177.108 -0.998 1
1 333 . 16 1 1 A 32 32 SER CA C 92 61.260 61.338 -0.078 1
1 334 . 16 1 1 A 32 32 SER CB C 92 63.610 62.974 0.636 1
1 335 . 16 1 1 A 32 32 SER N N 92 116.310 113.875 2.435 1
1 336 . 16 1 1 A 33 33 ILE H H 93 7.960 7.817 0.143 1
1 337 . 16 1 1 A 33 33 ILE HA H 93 3.920 3.800 0.120 1
1 347 . 16 1 1 A 33 33 ILE C C 93 177.480 178.021 -0.541 1
1 348 . 16 1 1 A 33 33 ILE CA C 93 63.610 64.272 -0.662 1
1 349 . 16 1 1 A 33 33 ILE CB C 93 38.330 37.613 0.717 1
1 353 . 16 1 1 A 33 33 ILE N N 93 119.950 122.334 -2.384 1
1 354 . 16 1 1 A 34 34 SER H H 94 7.970 8.364 -0.394 1
1 355 . 16 1 1 A 34 34 SER HA H 94 4.390 4.061 0.329 1
1 357 . 16 1 1 A 34 34 SER C C 94 176.490 177.587 -1.097 1
1 358 . 16 1 1 A 34 34 SER CA C 94 60.560 61.416 -0.856 1
1 359 . 16 1 1 A 34 34 SER CB C 94 63.130 62.962 0.168 1
1 360 . 16 1 1 A 34 34 SER N N 94 117.230 116.017 1.213 1
1 361 . 16 1 1 A 35 35 GLN H H 95 8.220 7.919 0.301 1
1 362 . 16 1 1 A 35 35 GLN HA H 95 4.260 4.120 0.140 1
1 369 . 16 1 1 A 35 35 GLN C C 95 177.050 178.581 -1.531 1
1 370 . 16 1 1 A 35 35 GLN CA C 95 57.360 59.135 -1.775 1
1 371 . 16 1 1 A 35 35 GLN CB C 95 28.900 28.552 0.348 1
1 373 . 16 1 1 A 35 35 GLN N N 95 121.530 120.640 0.890 1
1 375 . 16 1 1 A 36 36 LYS H H 96 7.870 7.347 0.523 1
1 376 . 16 1 1 A 36 36 LYS HA H 96 4.280 4.124 0.156 1
1 383 . 16 1 1 A 36 36 LYS C C 96 176.160 176.498 -0.338 1
1 384 . 16 1 1 A 36 36 LYS CA C 96 56.570 58.862 -2.292 1
1 385 . 16 1 1 A 36 36 LYS CB C 96 33.600 32.642 0.958 1
1 389 . 16 1 1 A 36 36 LYS N N 96 118.550 117.021 1.529 1
1 390 . 16 1 1 A 37 37 LYS H H 97 8.110 8.464 -0.354 1
1 391 . 16 1 1 A 37 37 LYS HA H 97 4.110 3.756 0.354 1
1 396 . 16 1 1 A 37 37 LYS C C 97 176.210 174.800 1.410 1
1 397 . 16 1 1 A 37 37 LYS CA C 97 57.230 57.259 -0.029 1
1 398 . 16 1 1 A 37 37 LYS CB C 97 30.580 29.615 0.965 1
1 402 . 16 1 1 A 37 37 LYS N N 97 117.680 116.313 1.367 1
1 403 . 16 1 1 A 38 38 VAL H H 98 7.430 7.791 -0.361 1
1 404 . 16 1 1 A 38 38 VAL HA H 98 4.350 4.714 -0.364 1
1 412 . 16 1 1 A 38 38 VAL C C 98 175.830 175.443 0.387 1
1 413 . 16 1 1 A 38 38 VAL CA C 98 60.580 59.459 1.121 1
1 414 . 16 1 1 A 38 38 VAL CB C 98 33.410 34.862 -1.452 1
1 417 . 16 1 1 A 38 38 VAL N N 98 115.860 114.393 1.467 1
1 418 . 16 1 1 A 39 39 LYS H H 99 8.960 8.479 0.481 1
1 419 . 16 1 1 A 39 39 LYS HA H 99 4.430 4.392 0.038 1
1 425 . 16 1 1 A 39 39 LYS C C 99 175.700 174.543 1.157 1
1 426 . 16 1 1 A 39 39 LYS CA C 99 55.420 56.139 -0.719 1
1 427 . 16 1 1 A 39 39 LYS CB C 99 30.580 30.694 -0.114 1
1 431 . 16 1 1 A 39 39 LYS N N 99 127.710 120.996 6.714 1
1 432 . 16 1 1 A 40 40 ILE H H 100 7.660 7.763 -0.103 1
1 433 . 16 1 1 A 40 40 ILE HA H 100 5.020 5.283 -0.263 1
1 443 . 16 1 1 A 40 40 ILE C C 100 174.520 174.996 -0.476 1
1 444 . 16 1 1 A 40 40 ILE CA C 100 59.370 60.344 -0.974 1
1 445 . 16 1 1 A 40 40 ILE CB C 100 40.650 40.533 0.117 1
1 449 . 16 1 1 A 40 40 ILE N N 100 123.140 122.252 0.888 1
1 450 . 16 1 1 A 41 41 GLU H H 101 8.490 8.602 -0.112 1
1 451 . 16 1 1 A 41 41 GLU HA H 101 4.620 4.892 -0.272 1
1 456 . 16 1 1 A 41 41 GLU C C 101 173.590 174.676 -1.086 1
1 457 . 16 1 1 A 41 41 GLU CA C 101 53.740 54.393 -0.653 1
1 458 . 16 1 1 A 41 41 GLU CB C 101 34.580 33.774 0.806 1
1 460 . 16 1 1 A 41 41 GLU N N 101 123.460 125.325 -1.865 1
1 461 . 16 1 1 A 42 42 LEU H H 102 8.490 8.257 0.233 1
1 462 . 16 1 1 A 42 42 LEU HA H 102 3.790 4.181 -0.391 1
1 472 . 16 1 1 A 42 42 LEU C C 102 176.440 175.827 0.613 1
1 473 . 16 1 1 A 42 42 LEU CA C 102 55.190 55.684 -0.494 1
1 474 . 16 1 1 A 42 42 LEU CB C 102 43.100 42.309 0.791 1
1 478 . 16 1 1 A 42 42 LEU N N 102 123.470 125.522 -2.052 1
1 479 . 16 1 1 A 43 43 ASP H H 103 8.770 7.874 0.896 1
1 480 . 16 1 1 A 43 43 ASP HA H 103 4.520 4.660 -0.140 1
1 483 . 16 1 1 A 43 43 ASP C C 103 177.600 176.846 0.754 1
1 484 . 16 1 1 A 43 43 ASP CA C 103 53.740 53.644 0.096 1
1 485 . 16 1 1 A 43 43 ASP CB C 103 41.880 40.988 0.892 1
1 486 . 16 1 1 A 43 43 ASP N N 103 127.210 126.057 1.153 1
1 487 . 16 1 1 A 44 44 LYS H H 104 8.910 9.009 -0.099 1
1 488 . 16 1 1 A 44 44 LYS HA H 104 3.920 4.136 -0.216 1
1 495 . 16 1 1 A 44 44 LYS C C 104 177.340 177.515 -0.175 1
1 496 . 16 1 1 A 44 44 LYS CA C 104 58.930 58.101 0.829 1
1 497 . 16 1 1 A 44 44 LYS CB C 104 32.000 32.305 -0.305 1
1 501 . 16 1 1 A 44 44 LYS N N 104 129.080 127.373 1.707 1
1 502 . 16 1 1 A 45 45 SER H H 105 8.740 7.552 1.188 1
1 503 . 16 1 1 A 45 45 SER HA H 105 4.370 4.450 -0.080 1
1 506 . 16 1 1 A 45 45 SER C C 105 175.040 174.816 0.224 1
1 507 . 16 1 1 A 45 45 SER CA C 105 59.150 58.606 0.544 1
1 508 . 16 1 1 A 45 45 SER CB C 105 63.830 63.758 0.072 1
1 509 . 16 1 1 A 45 45 SER N N 105 115.270 112.390 2.880 1
1 510 . 16 1 1 A 46 46 ALA H H 106 7.430 7.486 -0.056 1
1 511 . 16 1 1 A 46 46 ALA HA H 106 4.150 4.424 -0.274 1
1 515 . 16 1 1 A 46 46 ALA CA C 106 53.300 51.250 2.050 1
1 516 . 16 1 1 A 46 46 ALA CB C 106 19.190 19.175 0.015 1
1 517 . 16 1 1 A 46 46 ALA N N 106 125.120 125.492 -0.372 1
1 518 . 16 1 1 A 47 47 ARG HA H 107 4.280 4.491 -0.211 1
1 526 . 16 1 1 A 48 48 HIS HA H 108 4.650 4.898 -0.248 1
1 531 . 16 1 1 A 48 48 HIS C C 108 173.160 174.150 -0.990 1
1 532 . 16 1 1 A 48 48 HIS CA C 108 54.990 54.441 0.549 1
1 533 . 16 1 1 A 48 48 HIS CB C 108 33.400 32.791 0.609 1
1 538 . 16 1 1 A 49 49 LEU H H 109 8.030 8.797 -0.767 1
1 539 . 16 1 1 A 49 49 LEU HA H 109 5.040 4.684 0.356 1
1 549 . 16 1 1 A 49 49 LEU CA C 109 54.480 53.726 0.754 1
1 550 . 16 1 1 A 49 49 LEU CB C 109 43.010 42.805 0.205 1
1 554 . 16 1 1 A 49 49 LEU N N 109 120.130 119.826 0.304 1
1 555 . 16 1 1 A 50 50 TYR HA H 110 5.020 5.195 -0.175 1
1 560 . 16 1 1 A 50 50 TYR C C 110 176.960 175.958 1.002 1
1 561 . 16 1 1 A 50 50 TYR CA C 110 60.340 56.648 3.692 1
1 562 . 16 1 1 A 50 50 TYR CB C 110 39.210 39.740 -0.530 1
1 565 . 16 1 1 A 51 51 ILE H H 111 8.510 8.712 -0.202 1
1 566 . 16 1 1 A 51 51 ILE HA H 111 5.960 4.467 1.493 1
1 576 . 16 1 1 A 51 51 ILE C C 111 177.900 176.143 1.757 1
1 577 . 16 1 1 A 51 51 ILE CA C 111 58.100 60.466 -2.366 1
1 578 . 16 1 1 A 51 51 ILE CB C 111 41.370 39.803 1.567 1
1 582 . 16 1 1 A 51 51 ILE N N 111 115.050 121.789 -6.739 1
1 583 . 16 1 1 A 52 52 CYS H H 112 9.830 8.867 0.963 1
1 584 . 16 1 1 A 52 52 CYS HA H 112 5.000 4.860 0.140 1
1 587 . 16 1 1 A 52 52 CYS C C 112 175.420 175.723 -0.303 1
1 588 . 16 1 1 A 52 52 CYS CA C 112 57.770 57.702 0.068 1
1 589 . 16 1 1 A 52 52 CYS CB C 112 33.120 30.063 3.057 1
1 590 . 16 1 1 A 52 52 CYS N N 112 125.820 122.352 3.468 1
1 591 . 16 1 1 A 53 53 ASP H H 113 9.000 9.003 -0.003 1
1 592 . 16 1 1 A 53 53 ASP HA H 113 4.510 4.336 0.174 1
1 594 . 16 1 1 A 53 53 ASP C C 113 178.140 178.081 0.059 1
1 595 . 16 1 1 A 53 53 ASP CA C 113 57.330 57.388 -0.058 1
1 596 . 16 1 1 A 53 53 ASP CB C 113 39.730 40.483 -0.753 1
1 597 . 16 1 1 A 53 53 ASP N N 113 121.960 120.554 1.406 1
1 598 . 16 1 1 A 54 54 TYR H H 114 8.220 8.259 -0.039 1
1 599 . 16 1 1 A 54 54 TYR HA H 114 4.100 4.144 -0.044 1
1 604 . 16 1 1 A 54 54 TYR C C 114 178.410 177.118 1.292 1
1 605 . 16 1 1 A 54 54 TYR CA C 114 61.970 61.870 0.100 1
1 606 . 16 1 1 A 54 54 TYR CB C 114 37.150 38.908 -1.758 1
1 609 . 16 1 1 A 54 54 TYR N N 114 123.510 121.660 1.850 1
1 610 . 16 1 1 A 55 55 HIS H H 115 10.090 7.795 2.295 1
1 611 . 16 1 1 A 55 55 HIS HA H 115 4.040 4.321 -0.281 1
1 616 . 16 1 1 A 55 55 HIS C C 115 177.240 177.544 -0.304 1
1 617 . 16 1 1 A 55 55 HIS CA C 115 63.870 59.966 3.904 1
1 618 . 16 1 1 A 55 55 HIS CB C 115 29.600 29.920 -0.320 1
1 621 . 16 1 1 A 55 55 HIS N N 115 124.830 117.017 7.813 1
1 624 . 16 1 1 A 56 56 LYS H H 116 8.830 8.288 0.542 1
1 625 . 16 1 1 A 56 56 LYS HA H 116 3.720 3.915 -0.195 1
1 633 . 16 1 1 A 56 56 LYS C C 116 178.140 178.926 -0.786 1
1 634 . 16 1 1 A 56 56 LYS CA C 116 60.590 60.009 0.581 1
1 635 . 16 1 1 A 56 56 LYS CB C 116 32.230 32.582 -0.352 1
1 639 . 16 1 1 A 56 56 LYS N N 116 123.340 120.612 2.728 1
1 640 . 16 1 1 A 57 57 ASN H H 117 8.140 8.199 -0.059 1
1 641 . 16 1 1 A 57 57 ASN HA H 117 4.340 4.467 -0.127 1
1 646 . 16 1 1 A 57 57 ASN C C 117 177.570 177.359 0.211 1
1 647 . 16 1 1 A 57 57 ASN CA C 117 55.890 56.380 -0.490 1
1 648 . 16 1 1 A 57 57 ASN CB C 117 38.070 38.734 -0.664 1
1 649 . 16 1 1 A 57 57 ASN N N 117 116.920 118.364 -1.444 1
1 651 . 16 1 1 A 58 58 LEU H H 118 7.890 7.849 0.041 1
1 652 . 16 1 1 A 58 58 LEU HA H 118 3.930 3.996 -0.066 1
1 662 . 16 1 1 A 58 58 LEU C C 118 179.400 178.921 0.479 1
1 663 . 16 1 1 A 58 58 LEU CA C 118 58.420 58.054 0.366 1
1 664 . 16 1 1 A 58 58 LEU CB C 118 43.170 41.525 1.645 1
1 668 . 16 1 1 A 58 58 LEU N N 118 123.590 120.253 3.337 1
1 669 . 16 1 1 A 59 59 ILE H H 119 8.360 8.102 0.258 1
1 670 . 16 1 1 A 59 59 ILE HA H 119 3.470 3.931 -0.461 1
1 680 . 16 1 1 A 59 59 ILE C C 119 177.290 178.661 -1.371 1
1 681 . 16 1 1 A 59 59 ILE CA C 119 65.260 64.293 0.967 1
1 682 . 16 1 1 A 59 59 ILE CB C 119 38.330 38.077 0.253 1
1 686 . 16 1 1 A 59 59 ILE N N 119 118.630 119.360 -0.730 1
1 687 . 16 1 1 A 60 60 GLN H H 120 7.830 8.446 -0.616 1
1 688 . 16 1 1 A 60 60 GLN HA H 120 4.130 4.088 0.042 1
1 694 . 16 1 1 A 60 60 GLN C C 120 177.240 177.753 -0.513 1
1 695 . 16 1 1 A 60 60 GLN CA C 120 57.750 58.983 -1.233 1
1 696 . 16 1 1 A 60 60 GLN CB C 120 28.910 28.555 0.355 1
1 698 . 16 1 1 A 60 60 GLN N N 120 117.840 119.986 -2.146 1
1 700 . 16 1 1 A 61 61 SER H H 121 7.790 8.116 -0.326 1
1 701 . 16 1 1 A 61 61 SER HA H 121 4.300 4.343 -0.043 1
1 703 . 16 1 1 A 61 61 SER C C 121 175.650 175.466 0.184 1
1 704 . 16 1 1 A 61 61 SER CA C 121 60.090 59.677 0.413 1
1 705 . 16 1 1 A 61 61 SER CB C 121 63.570 62.651 0.919 1
1 706 . 16 1 1 A 61 61 SER N N 121 115.460 115.227 0.233 1
1 707 . 16 1 1 A 62 62 VAL H H 122 8.020 7.880 0.140 1
1 708 . 16 1 1 A 62 62 VAL HA H 122 4.020 3.764 0.256 1
1 716 . 16 1 1 A 62 62 VAL C C 122 176.960 177.243 -0.283 1
1 717 . 16 1 1 A 62 62 VAL CA C 122 63.600 66.267 -2.667 1
1 718 . 16 1 1 A 62 62 VAL CB C 122 32.300 31.783 0.517 1
1 721 . 16 1 1 A 62 62 VAL N N 122 121.600 120.168 1.432 1
1 722 . 16 1 1 A 63 63 ARG H H 123 8.130 7.688 0.442 1
1 723 . 16 1 1 A 63 63 ARG HA H 123 4.190 4.407 -0.217 1
1 729 . 16 1 1 A 63 63 ARG C C 123 176.490 175.887 0.603 1
1 730 . 16 1 1 A 63 63 ARG CA C 123 57.070 55.968 1.102 1
1 731 . 16 1 1 A 63 63 ARG CB C 123 30.780 31.726 -0.946 1
1 734 . 16 1 1 A 63 63 ARG N N 123 122.770 119.178 3.592 1
1 735 . 16 1 1 A 64 64 ASN H H 124 8.210 8.141 0.069 1
1 736 . 16 1 1 A 64 64 ASN HA H 124 4.650 4.261 0.389 1
1 741 . 16 1 1 A 64 64 ASN C C 124 175.310 174.130 1.180 1
1 742 . 16 1 1 A 64 64 ASN CA C 124 53.500 54.305 -0.805 1
1 743 . 16 1 1 A 64 64 ASN CB C 124 38.840 37.202 1.638 1
1 744 . 16 1 1 A 64 64 ASN N N 124 119.350 116.387 2.963 1
1 746 . 16 1 1 A 65 65 ARG H H 125 8.100 8.113 -0.013 1
1 747 . 16 1 1 A 65 65 ARG HA H 125 4.270 4.612 -0.342 1
1 752 . 16 1 1 A 65 65 ARG C C 125 176.310 175.465 0.845 1
1 753 . 16 1 1 A 65 65 ARG CA C 125 56.580 55.586 0.994 1
1 754 . 16 1 1 A 65 65 ARG CB C 125 30.810 30.569 0.241 1
1 757 . 16 1 1 A 65 65 ARG N N 125 122.230 118.285 3.945 1
1 758 . 16 1 1 A 66 66 ARG H H 126 8.260 8.555 -0.295 1
1 759 . 16 1 1 A 66 66 ARG HA H 126 4.270 4.379 -0.109 1
1 764 . 16 1 1 A 66 66 ARG C C 126 176.210 176.674 -0.464 1
1 765 . 16 1 1 A 66 66 ARG CA C 126 56.190 57.510 -1.320 1
1 766 . 16 1 1 A 66 66 ARG CB C 126 30.810 31.103 -0.293 1
1 769 . 16 1 1 A 66 66 ARG N N 126 122.760 124.865 -2.105 1
1 770 . 16 1 1 A 67 67 LYS H H 127 8.270 7.999 0.271 1
1 771 . 16 1 1 A 67 67 LYS HA H 127 4.260 4.011 0.249 1
1 776 . 16 1 1 A 67 67 LYS C C 127 176.450 175.334 1.116 1
1 777 . 16 1 1 A 67 67 LYS CA C 127 56.320 58.780 -2.460 1
1 778 . 16 1 1 A 67 67 LYS CB C 127 33.180 31.523 1.657 1
1 782 . 16 1 1 A 67 67 LYS N N 127 123.620 118.922 4.698 1
1 783 . 16 1 1 A 68 68 ARG H H 128 8.340 7.817 0.523 1
1 784 . 16 1 1 A 68 68 ARG HA H 128 4.270 4.655 -0.385 1
1 788 . 16 1 1 A 68 68 ARG C C 128 176.250 175.865 0.385 1
1 789 . 16 1 1 A 68 68 ARG CA C 128 56.130 54.818 1.312 1
1 790 . 16 1 1 A 68 68 ARG CB C 128 31.060 31.499 -0.439 1
1 793 . 16 1 1 A 68 68 ARG N N 128 123.750 114.267 9.483 1
1 794 . 16 1 1 A 69 69 LYS H H 129 8.450 8.991 -0.541 1
1 795 . 16 1 1 A 69 69 LYS HA H 129 4.250 4.496 -0.246 1
1 800 . 16 1 1 A 69 69 LYS C C 129 177.010 176.058 0.952 1
1 801 . 16 1 1 A 69 69 LYS CA C 129 57.000 57.344 -0.344 1
1 802 . 16 1 1 A 69 69 LYS CB C 129 32.940 35.643 -2.703 1
1 806 . 16 1 1 A 69 69 LYS N N 129 124.580 118.303 6.277 1
1 807 . 16 1 1 A 70 70 GLY H H 130 8.500 7.422 1.078 1
1 808 . 16 1 1 A 70 70 GLY HA2 H 130 3.910 4.059 -0.149 1
1 809 . 16 1 1 A 70 70 GLY HA3 H 130 4.010 4.059 -0.049 1
1 810 . 16 1 1 A 70 70 GLY C C 130 173.360 172.423 0.937 1
1 811 . 16 1 1 A 70 70 GLY CA C 130 45.370 45.496 -0.126 1
1 812 . 16 1 1 A 70 70 GLY N N 130 112.470 107.024 5.446 1
1 6 . 17 1 1 A 2 2 ASN HA H 62 4.610 4.909 -0.299 1
1 10 . 17 1 1 A 2 2 ASN C C 62 174.760 174.782 -0.022 1
1 11 . 17 1 1 A 2 2 ASN CA C 62 53.100 53.126 -0.026 1
1 12 . 17 1 1 A 2 2 ASN CB C 62 38.790 39.506 -0.716 1
1 14 . 17 1 1 A 3 3 ALA H H 63 8.300 7.849 0.451 1
1 15 . 17 1 1 A 3 3 ALA HA H 63 4.200 4.366 -0.166 1
1 19 . 17 1 1 A 3 3 ALA C C 63 178.180 176.690 1.490 1
1 20 . 17 1 1 A 3 3 ALA CA C 63 53.070 50.901 2.169 1
1 21 . 17 1 1 A 3 3 ALA CB C 63 18.960 19.226 -0.266 1
1 22 . 17 1 1 A 3 3 ALA N N 63 125.390 123.475 1.915 1
1 23 . 17 1 1 A 4 4 GLY H H 64 8.340 7.495 0.845 1
1 24 . 17 1 1 A 4 4 GLY HA2 H 64 3.800 4.111 -0.311 1
1 25 . 17 1 1 A 4 4 GLY HA3 H 64 3.860 4.119 -0.259 1
1 26 . 17 1 1 A 4 4 GLY C C 64 174.010 173.833 0.177 1
1 27 . 17 1 1 A 4 4 GLY CA C 64 45.350 45.743 -0.393 1
1 28 . 17 1 1 A 4 4 GLY N N 64 109.300 106.258 3.042 1
1 29 . 17 1 1 A 5 5 GLN H H 65 7.950 7.599 0.351 1
1 30 . 17 1 1 A 5 5 GLN HA H 65 4.330 4.481 -0.151 1
1 35 . 17 1 1 A 5 5 GLN C C 65 175.560 175.102 0.458 1
1 36 . 17 1 1 A 5 5 GLN CA C 65 55.400 55.828 -0.428 1
1 37 . 17 1 1 A 5 5 GLN CB C 65 29.860 30.755 -0.895 1
1 39 . 17 1 1 A 5 5 GLN N N 65 119.540 118.938 0.602 1
1 41 . 17 1 1 A 6 6 LEU H H 66 8.740 8.499 0.241 1
1 42 . 17 1 1 A 6 6 LEU HA H 66 4.610 5.279 -0.669 1
1 52 . 17 1 1 A 6 6 LEU C C 66 175.750 176.038 -0.288 1
1 53 . 17 1 1 A 6 6 LEU CA C 66 54.010 53.275 0.735 1
1 54 . 17 1 1 A 6 6 LEU CB C 66 43.490 45.490 -2.000 1
1 58 . 17 1 1 A 6 6 LEU N N 66 126.120 121.247 4.873 1
1 59 . 17 1 1 A 7 7 CYS H H 67 8.470 9.683 -1.213 1
1 60 . 17 1 1 A 7 7 CYS HA H 67 4.140 4.400 -0.260 1
1 63 . 17 1 1 A 7 7 CYS C C 67 175.320 176.112 -0.792 1
1 64 . 17 1 1 A 7 7 CYS CA C 67 60.780 59.719 1.061 1
1 65 . 17 1 1 A 7 7 CYS CB C 67 32.850 28.366 4.484 1
1 66 . 17 1 1 A 7 7 CYS N N 67 123.170 123.355 -0.185 1
1 67 . 17 1 1 A 8 8 CYS H H 68 8.170 8.765 -0.595 1
1 68 . 17 1 1 A 8 8 CYS HA H 68 4.280 4.693 -0.413 1
1 72 . 17 1 1 A 8 8 CYS C C 68 172.410 174.292 -1.882 1
1 73 . 17 1 1 A 8 8 CYS CA C 68 58.920 58.486 0.434 1
1 74 . 17 1 1 A 8 8 CYS CB C 68 28.920 27.970 0.950 1
1 75 . 17 1 1 A 8 8 CYS N N 68 124.700 122.351 2.349 1
1 76 . 17 1 1 A 9 9 LEU H H 69 8.180 7.054 1.126 1
1 77 . 17 1 1 A 9 9 LEU HA H 69 4.580 4.487 0.093 1
1 87 . 17 1 1 A 9 9 LEU C C 69 176.770 176.117 0.653 1
1 88 . 17 1 1 A 9 9 LEU CA C 69 54.760 52.955 1.805 1
1 89 . 17 1 1 A 9 9 LEU CB C 69 43.150 44.844 -1.694 1
1 93 . 17 1 1 A 9 9 LEU N N 69 122.650 122.977 -0.327 1
1 94 . 17 1 1 A 10 10 ARG H H 70 8.880 8.302 0.578 1
1 95 . 17 1 1 A 10 10 ARG HA H 70 4.770 5.026 -0.256 1
1 102 . 17 1 1 A 10 10 ARG C C 70 174.900 174.155 0.745 1
1 103 . 17 1 1 A 10 10 ARG CA C 70 54.710 54.307 0.403 1
1 104 . 17 1 1 A 10 10 ARG CB C 70 33.390 31.938 1.452 1
1 107 . 17 1 1 A 10 10 ARG N N 70 117.650 121.624 -3.974 1
1 108 . 17 1 1 A 11 11 GLU H H 71 8.640 8.953 -0.313 1
1 109 . 17 1 1 A 11 11 GLU HA H 71 5.090 4.850 0.240 1
1 113 . 17 1 1 A 11 11 GLU C C 71 176.070 175.831 0.239 1
1 114 . 17 1 1 A 11 11 GLU CA C 71 54.270 55.499 -1.229 1
1 115 . 17 1 1 A 11 11 GLU CB C 71 32.460 31.004 1.456 1
1 117 . 17 1 1 A 11 11 GLU N N 71 123.910 125.379 -1.469 1
1 118 . 17 1 1 A 12 12 ASP H H 72 9.510 9.363 0.147 1
1 119 . 17 1 1 A 12 12 ASP HA H 72 4.270 4.389 -0.119 1
1 122 . 17 1 1 A 12 12 ASP C C 72 175.890 176.135 -0.245 1
1 123 . 17 1 1 A 12 12 ASP CA C 72 55.880 55.343 0.537 1
1 124 . 17 1 1 A 12 12 ASP CB C 72 39.910 39.394 0.516 1
1 125 . 17 1 1 A 12 12 ASP N N 72 129.440 128.227 1.213 1
1 126 . 17 1 1 A 13 13 GLY H H 73 8.970 8.382 0.588 1
1 127 . 17 1 1 A 13 13 GLY HA2 H 73 3.520 3.855 -0.335 1
1 128 . 17 1 1 A 13 13 GLY HA3 H 73 4.200 3.860 0.340 1
1 129 . 17 1 1 A 13 13 GLY C C 73 173.960 173.728 0.232 1
1 130 . 17 1 1 A 13 13 GLY CA C 73 45.350 45.203 0.147 1
1 131 . 17 1 1 A 13 13 GLY N N 73 103.500 104.947 -1.447 1
1 132 . 17 1 1 A 14 14 GLU H H 74 7.660 8.137 -0.477 1
1 133 . 17 1 1 A 14 14 GLU HA H 74 4.640 4.454 0.186 1
1 138 . 17 1 1 A 14 14 GLU C C 74 176.170 175.727 0.443 1
1 139 . 17 1 1 A 14 14 GLU CA C 74 54.460 55.710 -1.250 1
1 140 . 17 1 1 A 14 14 GLU CB C 74 32.050 30.680 1.370 1
1 142 . 17 1 1 A 14 14 GLU N N 74 121.330 120.372 0.958 1
1 143 . 17 1 1 A 15 15 ARG H H 75 9.000 8.458 0.542 1
1 144 . 17 1 1 A 15 15 ARG HA H 75 4.120 4.441 -0.321 1
1 150 . 17 1 1 A 15 15 ARG C C 75 175.230 176.204 -0.974 1
1 151 . 17 1 1 A 15 15 ARG CA C 75 56.640 56.668 -0.028 1
1 152 . 17 1 1 A 15 15 ARG CB C 75 29.720 30.625 -0.905 1
1 155 . 17 1 1 A 15 15 ARG N N 75 127.990 125.076 2.914 1
1 156 . 17 1 1 A 16 16 CYS H H 76 8.870 8.523 0.347 1
1 157 . 17 1 1 A 16 16 CYS HA H 76 4.170 4.470 -0.300 1
1 160 . 17 1 1 A 16 16 CYS CA C 76 61.840 59.631 2.209 1
1 161 . 17 1 1 A 16 16 CYS CB C 76 31.150 28.576 2.574 1
1 162 . 17 1 1 A 16 16 CYS N N 76 131.840 125.355 6.485 1
1 163 . 17 1 1 A 17 17 GLY H H 77 8.530 8.837 -0.307 1
1 164 . 17 1 1 A 17 17 GLY HA2 H 77 3.680 3.865 -0.185 1
1 165 . 17 1 1 A 17 17 GLY HA3 H 77 4.340 3.883 0.457 1
1 166 . 17 1 1 A 17 17 GLY C C 77 174.620 172.937 1.683 1
1 167 . 17 1 1 A 17 17 GLY CA C 77 45.110 46.685 -1.575 1
1 168 . 17 1 1 A 17 17 GLY N N 77 111.930 114.679 -2.749 1
1 169 . 17 1 1 A 18 18 ARG H H 78 8.960 7.934 1.026 1
1 170 . 17 1 1 A 18 18 ARG HA H 78 4.290 4.974 -0.684 1
1 177 . 17 1 1 A 18 18 ARG C C 78 175.270 175.234 0.036 1
1 178 . 17 1 1 A 18 18 ARG CA C 78 56.350 54.012 2.338 1
1 179 . 17 1 1 A 18 18 ARG CB C 78 31.310 33.940 -2.630 1
1 182 . 17 1 1 A 18 18 ARG N N 78 124.390 123.356 1.034 1
1 183 . 17 1 1 A 19 19 ALA H H 79 8.340 8.526 -0.186 1
1 184 . 17 1 1 A 19 19 ALA HA H 79 4.170 4.668 -0.498 1
1 188 . 17 1 1 A 19 19 ALA C C 79 177.620 177.615 0.005 1
1 189 . 17 1 1 A 19 19 ALA CA C 79 52.710 52.855 -0.145 1
1 190 . 17 1 1 A 19 19 ALA CB C 79 18.710 19.001 -0.291 1
1 191 . 17 1 1 A 19 19 ALA N N 79 123.880 127.807 -3.927 1
1 192 . 17 1 1 A 20 20 ALA H H 80 8.470 8.794 -0.324 1
1 193 . 17 1 1 A 20 20 ALA HA H 80 3.540 4.449 -0.909 1
1 197 . 17 1 1 A 20 20 ALA C C 80 177.560 177.857 -0.297 1
1 198 . 17 1 1 A 20 20 ALA CA C 80 52.840 52.064 0.776 1
1 199 . 17 1 1 A 20 20 ALA CB C 80 19.050 19.467 -0.417 1
1 200 . 17 1 1 A 20 20 ALA N N 80 124.580 124.171 0.409 1
1 201 . 17 1 1 A 21 21 GLY H H 81 8.090 9.179 -1.089 1
1 202 . 17 1 1 A 21 21 GLY HA2 H 81 3.800 4.157 -0.357 1
1 203 . 17 1 1 A 21 21 GLY HA3 H 81 4.430 4.187 0.243 1
1 204 . 17 1 1 A 21 21 GLY C C 81 173.170 174.509 -1.339 1
1 205 . 17 1 1 A 21 21 GLY CA C 81 44.390 44.560 -0.170 1
1 206 . 17 1 1 A 21 21 GLY N N 81 114.000 108.788 5.212 1
1 207 . 17 1 1 A 22 22 ASN H H 82 8.690 8.563 0.127 1
1 208 . 17 1 1 A 22 22 ASN HA H 82 4.650 5.045 -0.395 1
1 213 . 17 1 1 A 22 22 ASN C C 82 176.260 175.378 0.882 1
1 214 . 17 1 1 A 22 22 ASN CA C 82 53.580 52.871 0.709 1
1 215 . 17 1 1 A 22 22 ASN CB C 82 39.580 40.571 -0.991 1
1 216 . 17 1 1 A 22 22 ASN N N 82 118.160 122.639 -4.479 1
1 218 . 17 1 1 A 23 23 ALA H H 83 8.720 7.464 1.256 1
1 219 . 17 1 1 A 23 23 ALA HA H 83 4.570 4.363 0.207 1
1 223 . 17 1 1 A 23 23 ALA C C 83 175.910 176.608 -0.698 1
1 224 . 17 1 1 A 23 23 ALA CA C 83 52.340 52.457 -0.117 1
1 225 . 17 1 1 A 23 23 ALA CB C 83 19.370 20.068 -0.698 1
1 226 . 17 1 1 A 23 23 ALA N N 83 125.180 121.750 3.430 1
1 227 . 17 1 1 A 24 24 SER H H 84 7.970 8.752 -0.782 1
1 228 . 17 1 1 A 24 24 SER HA H 84 5.310 5.275 0.035 1
1 230 . 17 1 1 A 24 24 SER C C 84 174.620 172.854 1.766 1
1 231 . 17 1 1 A 24 24 SER CA C 84 56.550 56.711 -0.161 1
1 232 . 17 1 1 A 24 24 SER CB C 84 66.420 66.046 0.374 1
1 233 . 17 1 1 A 24 24 SER N N 84 112.840 111.633 1.207 1
1 234 . 17 1 1 A 25 25 PHE H H 85 9.580 8.911 0.669 1
1 235 . 17 1 1 A 25 25 PHE HA H 85 4.320 4.439 -0.119 1
1 241 . 17 1 1 A 25 25 PHE C C 85 173.430 174.742 -1.312 1
1 242 . 17 1 1 A 25 25 PHE CA C 85 57.780 59.833 -2.053 1
1 243 . 17 1 1 A 25 25 PHE CB C 85 38.780 39.697 -0.917 1
1 247 . 17 1 1 A 25 25 PHE N N 85 125.520 126.307 -0.787 1
1 248 . 17 1 1 A 26 26 SER H H 86 6.780 7.922 -1.142 1
1 249 . 17 1 1 A 26 26 SER HA H 86 4.430 4.624 -0.194 1
1 252 . 17 1 1 A 26 26 SER C C 86 174.200 173.197 1.003 1
1 253 . 17 1 1 A 26 26 SER CA C 86 56.610 55.432 1.178 1
1 254 . 17 1 1 A 26 26 SER CB C 86 66.010 65.370 0.640 1
1 255 . 17 1 1 A 26 26 SER N N 86 118.860 122.317 -3.457 1
1 256 . 17 1 1 A 27 27 LYS H H 87 8.710 8.785 -0.075 1
1 257 . 17 1 1 A 27 27 LYS HA H 87 3.850 3.753 0.097 1
1 263 . 17 1 1 A 27 27 LYS C C 87 178.490 178.699 -0.209 1
1 264 . 17 1 1 A 27 27 LYS CA C 87 59.390 59.130 0.260 1
1 265 . 17 1 1 A 27 27 LYS CB C 87 31.970 32.768 -0.798 1
1 269 . 17 1 1 A 27 27 LYS N N 87 121.790 122.683 -0.893 1
1 270 . 17 1 1 A 28 28 ARG H H 88 8.010 7.692 0.318 1
1 271 . 17 1 1 A 28 28 ARG HA H 88 3.990 3.986 0.004 1
1 277 . 17 1 1 A 28 28 ARG C C 88 178.890 178.584 0.306 1
1 278 . 17 1 1 A 28 28 ARG CA C 88 59.010 58.752 0.258 1
1 279 . 17 1 1 A 28 28 ARG CB C 88 30.120 29.911 0.209 1
1 282 . 17 1 1 A 28 28 ARG N N 88 119.520 119.704 -0.184 1
1 283 . 17 1 1 A 29 29 ILE H H 89 7.350 7.813 -0.463 1
1 284 . 17 1 1 A 29 29 ILE HA H 89 3.680 3.665 0.015 1
1 294 . 17 1 1 A 29 29 ILE C C 89 177.620 177.677 -0.057 1
1 295 . 17 1 1 A 29 29 ILE CA C 89 63.170 65.284 -2.114 1
1 296 . 17 1 1 A 29 29 ILE CB C 89 36.900 36.893 0.007 1
1 300 . 17 1 1 A 29 29 ILE N N 89 121.980 120.094 1.886 1
1 301 . 17 1 1 A 30 30 GLN H H 90 7.990 7.791 0.199 1
1 302 . 17 1 1 A 30 30 GLN HA H 90 3.630 4.006 -0.376 1
1 308 . 17 1 1 A 30 30 GLN C C 90 178.320 178.218 0.102 1
1 309 . 17 1 1 A 30 30 GLN CA C 90 59.200 59.115 0.085 1
1 310 . 17 1 1 A 30 30 GLN CB C 90 28.700 28.066 0.634 1
1 312 . 17 1 1 A 30 30 GLN N N 90 121.020 120.614 0.406 1
1 314 . 17 1 1 A 31 31 LYS H H 91 7.990 8.112 -0.122 1
1 315 . 17 1 1 A 31 31 LYS HA H 91 4.090 4.026 0.064 1
1 321 . 17 1 1 A 31 31 LYS C C 91 178.650 178.903 -0.253 1
1 322 . 17 1 1 A 31 31 LYS CA C 91 58.720 59.072 -0.352 1
1 323 . 17 1 1 A 31 31 LYS CB C 91 32.220 31.947 0.273 1
1 327 . 17 1 1 A 31 31 LYS N N 91 119.520 118.719 0.801 1
1 328 . 17 1 1 A 32 32 SER H H 92 7.770 7.720 0.050 1
1 329 . 17 1 1 A 32 32 SER HA H 92 4.320 4.187 0.133 1
1 332 . 17 1 1 A 32 32 SER C C 92 176.110 177.507 -1.397 1
1 333 . 17 1 1 A 32 32 SER CA C 92 61.260 61.648 -0.388 1
1 334 . 17 1 1 A 32 32 SER CB C 92 63.610 63.185 0.425 1
1 335 . 17 1 1 A 32 32 SER N N 92 116.310 114.695 1.615 1
1 336 . 17 1 1 A 33 33 ILE H H 93 7.960 7.949 0.011 1
1 337 . 17 1 1 A 33 33 ILE HA H 93 3.920 3.721 0.199 1
1 347 . 17 1 1 A 33 33 ILE C C 93 177.480 177.915 -0.435 1
1 348 . 17 1 1 A 33 33 ILE CA C 93 63.610 65.310 -1.700 1
1 349 . 17 1 1 A 33 33 ILE CB C 93 38.330 37.553 0.777 1
1 353 . 17 1 1 A 33 33 ILE N N 93 119.950 121.670 -1.720 1
1 354 . 17 1 1 A 34 34 SER H H 94 7.970 8.101 -0.131 1
1 355 . 17 1 1 A 34 34 SER HA H 94 4.390 4.088 0.302 1
1 357 . 17 1 1 A 34 34 SER C C 94 176.490 175.689 0.801 1
1 358 . 17 1 1 A 34 34 SER CA C 94 60.560 62.034 -1.474 1
1 359 . 17 1 1 A 34 34 SER CB C 94 63.130 62.848 0.282 1
1 360 . 17 1 1 A 34 34 SER N N 94 117.230 115.704 1.526 1
1 361 . 17 1 1 A 35 35 GLN H H 95 8.220 7.947 0.273 1
1 362 . 17 1 1 A 35 35 GLN HA H 95 4.260 4.052 0.208 1
1 369 . 17 1 1 A 35 35 GLN C C 95 177.050 178.291 -1.241 1
1 370 . 17 1 1 A 35 35 GLN CA C 95 57.360 58.659 -1.299 1
1 371 . 17 1 1 A 35 35 GLN CB C 95 28.900 28.334 0.566 1
1 373 . 17 1 1 A 35 35 GLN N N 95 121.530 121.000 0.530 1
1 375 . 17 1 1 A 36 36 LYS H H 96 7.870 7.383 0.487 1
1 376 . 17 1 1 A 36 36 LYS HA H 96 4.280 4.190 0.090 1
1 383 . 17 1 1 A 36 36 LYS C C 96 176.160 176.390 -0.230 1
1 384 . 17 1 1 A 36 36 LYS CA C 96 56.570 58.117 -1.547 1
1 385 . 17 1 1 A 36 36 LYS CB C 96 33.600 33.121 0.479 1
1 389 . 17 1 1 A 36 36 LYS N N 96 118.550 116.602 1.948 1
1 390 . 17 1 1 A 37 37 LYS H H 97 8.110 8.289 -0.179 1
1 391 . 17 1 1 A 37 37 LYS HA H 97 4.110 3.834 0.276 1
1 396 . 17 1 1 A 37 37 LYS C C 97 176.210 175.265 0.945 1
1 397 . 17 1 1 A 37 37 LYS CA C 97 57.230 57.135 0.095 1
1 398 . 17 1 1 A 37 37 LYS CB C 97 30.580 30.087 0.493 1
1 402 . 17 1 1 A 37 37 LYS N N 97 117.680 117.084 0.596 1
1 403 . 17 1 1 A 38 38 VAL H H 98 7.430 7.654 -0.224 1
1 404 . 17 1 1 A 38 38 VAL HA H 98 4.350 4.853 -0.503 1
1 412 . 17 1 1 A 38 38 VAL C C 98 175.830 174.718 1.112 1
1 413 . 17 1 1 A 38 38 VAL CA C 98 60.580 58.743 1.837 1
1 414 . 17 1 1 A 38 38 VAL CB C 98 33.410 35.692 -2.282 1
1 417 . 17 1 1 A 38 38 VAL N N 98 115.860 114.243 1.617 1
1 418 . 17 1 1 A 39 39 LYS H H 99 8.960 8.357 0.603 1
1 419 . 17 1 1 A 39 39 LYS HA H 99 4.430 4.455 -0.025 1
1 425 . 17 1 1 A 39 39 LYS C C 99 175.700 174.986 0.714 1
1 426 . 17 1 1 A 39 39 LYS CA C 99 55.420 55.996 -0.576 1
1 427 . 17 1 1 A 39 39 LYS CB C 99 30.580 30.721 -0.141 1
1 431 . 17 1 1 A 39 39 LYS N N 99 127.710 119.948 7.762 1
1 432 . 17 1 1 A 40 40 ILE H H 100 7.660 7.614 0.046 1
1 433 . 17 1 1 A 40 40 ILE HA H 100 5.020 4.812 0.208 1
1 443 . 17 1 1 A 40 40 ILE C C 100 174.520 174.970 -0.450 1
1 444 . 17 1 1 A 40 40 ILE CA C 100 59.370 60.823 -1.453 1
1 445 . 17 1 1 A 40 40 ILE CB C 100 40.650 39.657 0.993 1
1 449 . 17 1 1 A 40 40 ILE N N 100 123.140 124.632 -1.492 1
1 450 . 17 1 1 A 41 41 GLU H H 101 8.490 8.925 -0.435 1
1 451 . 17 1 1 A 41 41 GLU HA H 101 4.620 5.028 -0.408 1
1 456 . 17 1 1 A 41 41 GLU C C 101 173.590 174.797 -1.207 1
1 457 . 17 1 1 A 41 41 GLU CA C 101 53.740 54.169 -0.429 1
1 458 . 17 1 1 A 41 41 GLU CB C 101 34.580 32.999 1.581 1
1 460 . 17 1 1 A 41 41 GLU N N 101 123.460 124.846 -1.386 1
1 461 . 17 1 1 A 42 42 LEU H H 102 8.490 8.230 0.260 1
1 462 . 17 1 1 A 42 42 LEU HA H 102 3.790 4.445 -0.655 1
1 472 . 17 1 1 A 42 42 LEU C C 102 176.440 175.801 0.639 1
1 473 . 17 1 1 A 42 42 LEU CA C 102 55.190 54.074 1.116 1
1 474 . 17 1 1 A 42 42 LEU CB C 102 43.100 43.719 -0.619 1
1 478 . 17 1 1 A 42 42 LEU N N 102 123.470 122.317 1.153 1
1 479 . 17 1 1 A 43 43 ASP H H 103 8.770 8.602 0.168 1
1 480 . 17 1 1 A 43 43 ASP HA H 103 4.520 4.612 -0.092 1
1 483 . 17 1 1 A 43 43 ASP C C 103 177.600 175.800 1.800 1
1 484 . 17 1 1 A 43 43 ASP CA C 103 53.740 54.196 -0.456 1
1 485 . 17 1 1 A 43 43 ASP CB C 103 41.880 42.109 -0.229 1
1 486 . 17 1 1 A 43 43 ASP N N 103 127.210 125.260 1.950 1
1 487 . 17 1 1 A 44 44 LYS H H 104 8.910 8.969 -0.059 1
1 488 . 17 1 1 A 44 44 LYS HA H 104 3.920 4.361 -0.441 1
1 495 . 17 1 1 A 44 44 LYS C C 104 177.340 178.152 -0.812 1
1 496 . 17 1 1 A 44 44 LYS CA C 104 58.930 56.818 2.112 1
1 497 . 17 1 1 A 44 44 LYS CB C 104 32.000 32.896 -0.896 1
1 501 . 17 1 1 A 44 44 LYS N N 104 129.080 125.549 3.531 1
1 502 . 17 1 1 A 45 45 SER H H 105 8.740 7.911 0.829 1
1 503 . 17 1 1 A 45 45 SER HA H 105 4.370 4.300 0.070 1
1 506 . 17 1 1 A 45 45 SER C C 105 175.040 175.257 -0.217 1
1 507 . 17 1 1 A 45 45 SER CA C 105 59.150 60.212 -1.062 1
1 508 . 17 1 1 A 45 45 SER CB C 105 63.830 62.603 1.227 1
1 509 . 17 1 1 A 45 45 SER N N 105 115.270 112.594 2.676 1
1 510 . 17 1 1 A 46 46 ALA H H 106 7.430 7.177 0.253 1
1 511 . 17 1 1 A 46 46 ALA HA H 106 4.150 4.198 -0.048 1
1 515 . 17 1 1 A 46 46 ALA CA C 106 53.300 51.899 1.401 1
1 516 . 17 1 1 A 46 46 ALA CB C 106 19.190 19.806 -0.616 1
1 517 . 17 1 1 A 46 46 ALA N N 106 125.120 125.943 -0.823 1
1 518 . 17 1 1 A 47 47 ARG HA H 107 4.280 4.444 -0.164 1
1 526 . 17 1 1 A 48 48 HIS HA H 108 4.650 4.656 -0.006 1
1 531 . 17 1 1 A 48 48 HIS C C 108 173.160 174.943 -1.783 1
1 532 . 17 1 1 A 48 48 HIS CA C 108 54.990 55.749 -0.759 1
1 533 . 17 1 1 A 48 48 HIS CB C 108 33.400 31.164 2.236 1
1 538 . 17 1 1 A 49 49 LEU H H 109 8.030 8.734 -0.704 1
1 539 . 17 1 1 A 49 49 LEU HA H 109 5.040 4.626 0.414 1
1 549 . 17 1 1 A 49 49 LEU CA C 109 54.480 53.822 0.658 1
1 550 . 17 1 1 A 49 49 LEU CB C 109 43.010 41.526 1.484 1
1 554 . 17 1 1 A 49 49 LEU N N 109 120.130 122.216 -2.086 1
1 555 . 17 1 1 A 50 50 TYR HA H 110 5.020 5.213 -0.193 1
1 560 . 17 1 1 A 50 50 TYR C C 110 176.960 175.437 1.523 1
1 561 . 17 1 1 A 50 50 TYR CA C 110 60.340 56.928 3.412 1
1 562 . 17 1 1 A 50 50 TYR CB C 110 39.210 42.517 -3.307 1
1 565 . 17 1 1 A 51 51 ILE H H 111 8.510 9.047 -0.537 1
1 566 . 17 1 1 A 51 51 ILE HA H 111 5.960 5.081 0.879 1
1 576 . 17 1 1 A 51 51 ILE C C 111 177.900 176.066 1.834 1
1 577 . 17 1 1 A 51 51 ILE CA C 111 58.100 59.143 -1.043 1
1 578 . 17 1 1 A 51 51 ILE CB C 111 41.370 40.702 0.668 1
1 582 . 17 1 1 A 51 51 ILE N N 111 115.050 118.055 -3.005 1
1 583 . 17 1 1 A 52 52 CYS H H 112 9.830 8.927 0.903 1
1 584 . 17 1 1 A 52 52 CYS HA H 112 5.000 4.895 0.105 1
1 587 . 17 1 1 A 52 52 CYS C C 112 175.420 175.572 -0.152 1
1 588 . 17 1 1 A 52 52 CYS CA C 112 57.770 57.560 0.210 1
1 589 . 17 1 1 A 52 52 CYS CB C 112 33.120 30.083 3.037 1
1 590 . 17 1 1 A 52 52 CYS N N 112 125.820 121.963 3.857 1
1 591 . 17 1 1 A 53 53 ASP H H 113 9.000 8.963 0.037 1
1 592 . 17 1 1 A 53 53 ASP HA H 113 4.510 4.373 0.137 1
1 594 . 17 1 1 A 53 53 ASP C C 113 178.140 177.866 0.274 1
1 595 . 17 1 1 A 53 53 ASP CA C 113 57.330 57.321 0.009 1
1 596 . 17 1 1 A 53 53 ASP CB C 113 39.730 40.275 -0.545 1
1 597 . 17 1 1 A 53 53 ASP N N 113 121.960 121.348 0.612 1
1 598 . 17 1 1 A 54 54 TYR H H 114 8.220 8.039 0.181 1
1 599 . 17 1 1 A 54 54 TYR HA H 114 4.100 4.197 -0.097 1
1 604 . 17 1 1 A 54 54 TYR C C 114 178.410 177.169 1.241 1
1 605 . 17 1 1 A 54 54 TYR CA C 114 61.970 61.669 0.301 1
1 606 . 17 1 1 A 54 54 TYR CB C 114 37.150 39.246 -2.096 1
1 609 . 17 1 1 A 54 54 TYR N N 114 123.510 122.730 0.780 1
1 610 . 17 1 1 A 55 55 HIS H H 115 10.090 7.800 2.290 1
1 611 . 17 1 1 A 55 55 HIS HA H 115 4.040 4.059 -0.019 1
1 616 . 17 1 1 A 55 55 HIS C C 115 177.240 177.290 -0.050 1
1 617 . 17 1 1 A 55 55 HIS CA C 115 63.870 59.682 4.188 1
1 618 . 17 1 1 A 55 55 HIS CB C 115 29.600 29.801 -0.201 1
1 621 . 17 1 1 A 55 55 HIS N N 115 124.830 116.950 7.880 1
1 624 . 17 1 1 A 56 56 LYS H H 116 8.830 8.332 0.498 1
1 625 . 17 1 1 A 56 56 LYS HA H 116 3.720 3.889 -0.169 1
1 633 . 17 1 1 A 56 56 LYS C C 116 178.140 178.692 -0.552 1
1 634 . 17 1 1 A 56 56 LYS CA C 116 60.590 60.008 0.582 1
1 635 . 17 1 1 A 56 56 LYS CB C 116 32.230 32.412 -0.182 1
1 639 . 17 1 1 A 56 56 LYS N N 116 123.340 120.699 2.641 1
1 640 . 17 1 1 A 57 57 ASN H H 117 8.140 8.038 0.102 1
1 641 . 17 1 1 A 57 57 ASN HA H 117 4.340 4.493 -0.153 1
1 646 . 17 1 1 A 57 57 ASN C C 117 177.570 177.424 0.146 1
1 647 . 17 1 1 A 57 57 ASN CA C 117 55.890 56.221 -0.331 1
1 648 . 17 1 1 A 57 57 ASN CB C 117 38.070 38.576 -0.506 1
1 649 . 17 1 1 A 57 57 ASN N N 117 116.920 117.870 -0.950 1
1 651 . 17 1 1 A 58 58 LEU H H 118 7.890 7.711 0.179 1
1 652 . 17 1 1 A 58 58 LEU HA H 118 3.930 3.967 -0.037 1
1 662 . 17 1 1 A 58 58 LEU C C 118 179.400 178.802 0.598 1
1 663 . 17 1 1 A 58 58 LEU CA C 118 58.420 57.800 0.620 1
1 664 . 17 1 1 A 58 58 LEU CB C 118 43.170 41.610 1.560 1
1 668 . 17 1 1 A 58 58 LEU N N 118 123.590 120.102 3.488 1
1 669 . 17 1 1 A 59 59 ILE H H 119 8.360 7.643 0.717 1
1 670 . 17 1 1 A 59 59 ILE HA H 119 3.470 3.918 -0.448 1
1 680 . 17 1 1 A 59 59 ILE C C 119 177.290 178.447 -1.157 1
1 681 . 17 1 1 A 59 59 ILE CA C 119 65.260 64.121 1.139 1
1 682 . 17 1 1 A 59 59 ILE CB C 119 38.330 38.102 0.228 1
1 686 . 17 1 1 A 59 59 ILE N N 119 118.630 118.835 -0.205 1
1 687 . 17 1 1 A 60 60 GLN H H 120 7.830 8.217 -0.387 1
1 688 . 17 1 1 A 60 60 GLN HA H 120 4.130 4.041 0.089 1
1 694 . 17 1 1 A 60 60 GLN C C 120 177.240 176.655 0.585 1
1 695 . 17 1 1 A 60 60 GLN CA C 120 57.750 58.745 -0.995 1
1 696 . 17 1 1 A 60 60 GLN CB C 120 28.910 28.502 0.408 1
1 698 . 17 1 1 A 60 60 GLN N N 120 117.840 120.297 -2.457 1
1 700 . 17 1 1 A 61 61 SER H H 121 7.790 7.712 0.078 1
1 701 . 17 1 1 A 61 61 SER HA H 121 4.300 4.700 -0.400 1
1 703 . 17 1 1 A 61 61 SER C C 121 175.650 174.939 0.711 1
1 704 . 17 1 1 A 61 61 SER CA C 121 60.090 57.227 2.863 1
1 705 . 17 1 1 A 61 61 SER CB C 121 63.570 62.975 0.595 1
1 706 . 17 1 1 A 61 61 SER N N 121 115.460 114.090 1.370 1
1 707 . 17 1 1 A 62 62 VAL H H 122 8.020 7.805 0.215 1
1 708 . 17 1 1 A 62 62 VAL HA H 122 4.020 4.194 -0.174 1
1 716 . 17 1 1 A 62 62 VAL C C 122 176.960 177.117 -0.157 1
1 717 . 17 1 1 A 62 62 VAL CA C 122 63.600 63.482 0.118 1
1 718 . 17 1 1 A 62 62 VAL CB C 122 32.300 33.925 -1.625 1
1 721 . 17 1 1 A 62 62 VAL N N 122 121.600 122.044 -0.444 1
1 722 . 17 1 1 A 63 63 ARG H H 123 8.130 8.117 0.013 1
1 723 . 17 1 1 A 63 63 ARG HA H 123 4.190 4.597 -0.407 1
1 729 . 17 1 1 A 63 63 ARG C C 123 176.490 176.751 -0.261 1
1 730 . 17 1 1 A 63 63 ARG CA C 123 57.070 55.377 1.693 1
1 731 . 17 1 1 A 63 63 ARG CB C 123 30.780 29.718 1.062 1
1 734 . 17 1 1 A 63 63 ARG N N 123 122.770 118.370 4.400 1
1 735 . 17 1 1 A 64 64 ASN H H 124 8.210 8.030 0.180 1
1 736 . 17 1 1 A 64 64 ASN HA H 124 4.650 5.064 -0.414 1
1 741 . 17 1 1 A 64 64 ASN C C 124 175.310 175.358 -0.048 1
1 742 . 17 1 1 A 64 64 ASN CA C 124 53.500 53.238 0.262 1
1 743 . 17 1 1 A 64 64 ASN CB C 124 38.840 40.514 -1.674 1
1 744 . 17 1 1 A 64 64 ASN N N 124 119.350 115.745 3.605 1
1 746 . 17 1 1 A 65 65 ARG H H 125 8.100 7.638 0.462 1
1 747 . 17 1 1 A 65 65 ARG HA H 125 4.270 4.809 -0.539 1
1 752 . 17 1 1 A 65 65 ARG C C 125 176.310 175.486 0.824 1
1 753 . 17 1 1 A 65 65 ARG CA C 125 56.580 54.144 2.436 1
1 754 . 17 1 1 A 65 65 ARG CB C 125 30.810 34.462 -3.652 1
1 757 . 17 1 1 A 65 65 ARG N N 125 122.230 117.919 4.311 1
1 758 . 17 1 1 A 66 66 ARG H H 126 8.260 8.582 -0.322 1
1 759 . 17 1 1 A 66 66 ARG HA H 126 4.270 4.581 -0.311 1
1 764 . 17 1 1 A 66 66 ARG C C 126 176.210 174.650 1.560 1
1 765 . 17 1 1 A 66 66 ARG CA C 126 56.190 55.423 0.767 1
1 766 . 17 1 1 A 66 66 ARG CB C 126 30.810 30.874 -0.064 1
1 769 . 17 1 1 A 66 66 ARG N N 126 122.760 118.799 3.961 1
1 770 . 17 1 1 A 67 67 LYS H H 127 8.270 7.559 0.711 1
1 771 . 17 1 1 A 67 67 LYS HA H 127 4.260 4.729 -0.469 1
1 776 . 17 1 1 A 67 67 LYS C C 127 176.450 176.298 0.152 1
1 777 . 17 1 1 A 67 67 LYS CA C 127 56.320 54.876 1.444 1
1 778 . 17 1 1 A 67 67 LYS CB C 127 33.180 34.501 -1.321 1
1 782 . 17 1 1 A 67 67 LYS N N 127 123.620 118.156 5.464 1
1 783 . 17 1 1 A 68 68 ARG H H 128 8.340 8.603 -0.263 1
1 784 . 17 1 1 A 68 68 ARG HA H 128 4.270 4.512 -0.242 1
1 788 . 17 1 1 A 68 68 ARG C C 128 176.250 175.486 0.764 1
1 789 . 17 1 1 A 68 68 ARG CA C 128 56.130 55.411 0.719 1
1 790 . 17 1 1 A 68 68 ARG CB C 128 31.060 31.048 0.012 1
1 793 . 17 1 1 A 68 68 ARG N N 128 123.750 125.162 -1.412 1
1 794 . 17 1 1 A 69 69 LYS H H 129 8.450 8.963 -0.513 1
1 795 . 17 1 1 A 69 69 LYS HA H 129 4.250 4.488 -0.238 1
1 800 . 17 1 1 A 69 69 LYS C C 129 177.010 176.381 0.629 1
1 801 . 17 1 1 A 69 69 LYS CA C 129 57.000 56.399 0.601 1
1 802 . 17 1 1 A 69 69 LYS CB C 129 32.940 35.156 -2.216 1
1 806 . 17 1 1 A 69 69 LYS N N 129 124.580 121.690 2.890 1
1 807 . 17 1 1 A 70 70 GLY H H 130 8.500 7.364 1.136 1
1 808 . 17 1 1 A 70 70 GLY HA2 H 130 3.910 4.069 -0.159 1
1 809 . 17 1 1 A 70 70 GLY HA3 H 130 4.010 4.069 -0.059 1
1 810 . 17 1 1 A 70 70 GLY C C 130 173.360 173.867 -0.507 1
1 811 . 17 1 1 A 70 70 GLY CA C 130 45.370 44.977 0.393 1
1 812 . 17 1 1 A 70 70 GLY N N 130 112.470 107.532 4.938 1
1 6 . 18 1 1 A 2 2 ASN HA H 62 4.610 5.032 -0.422 1
1 10 . 18 1 1 A 2 2 ASN C C 62 174.760 173.991 0.769 1
1 11 . 18 1 1 A 2 2 ASN CA C 62 53.100 51.792 1.308 1
1 12 . 18 1 1 A 2 2 ASN CB C 62 38.790 41.164 -2.374 1
1 14 . 18 1 1 A 3 3 ALA H H 63 8.300 8.577 -0.277 1
1 15 . 18 1 1 A 3 3 ALA HA H 63 4.200 4.462 -0.262 1
1 19 . 18 1 1 A 3 3 ALA C C 63 178.180 178.177 0.003 1
1 20 . 18 1 1 A 3 3 ALA CA C 63 53.070 52.644 0.426 1
1 21 . 18 1 1 A 3 3 ALA CB C 63 18.960 22.023 -3.063 1
1 22 . 18 1 1 A 3 3 ALA N N 63 125.390 127.418 -2.028 1
1 23 . 18 1 1 A 4 4 GLY H H 64 8.340 7.913 0.427 1
1 24 . 18 1 1 A 4 4 GLY HA2 H 64 3.800 3.886 -0.086 1
1 25 . 18 1 1 A 4 4 GLY HA3 H 64 3.860 3.887 -0.027 1
1 26 . 18 1 1 A 4 4 GLY C C 64 174.010 174.012 -0.002 1
1 27 . 18 1 1 A 4 4 GLY CA C 64 45.350 46.220 -0.870 1
1 28 . 18 1 1 A 4 4 GLY N N 64 109.300 106.073 3.227 1
1 29 . 18 1 1 A 5 5 GLN H H 65 7.950 7.510 0.440 1
1 30 . 18 1 1 A 5 5 GLN HA H 65 4.330 4.540 -0.210 1
1 35 . 18 1 1 A 5 5 GLN C C 65 175.560 175.134 0.426 1
1 36 . 18 1 1 A 5 5 GLN CA C 65 55.400 55.708 -0.308 1
1 37 . 18 1 1 A 5 5 GLN CB C 65 29.860 30.548 -0.688 1
1 39 . 18 1 1 A 5 5 GLN N N 65 119.540 119.128 0.412 1
1 41 . 18 1 1 A 6 6 LEU H H 66 8.740 8.665 0.075 1
1 42 . 18 1 1 A 6 6 LEU HA H 66 4.610 5.090 -0.480 1
1 52 . 18 1 1 A 6 6 LEU C C 66 175.750 175.835 -0.085 1
1 53 . 18 1 1 A 6 6 LEU CA C 66 54.010 53.115 0.895 1
1 54 . 18 1 1 A 6 6 LEU CB C 66 43.490 45.070 -1.580 1
1 58 . 18 1 1 A 6 6 LEU N N 66 126.120 121.022 5.098 1
1 59 . 18 1 1 A 7 7 CYS H H 67 8.470 8.750 -0.280 1
1 60 . 18 1 1 A 7 7 CYS HA H 67 4.140 4.392 -0.252 1
1 63 . 18 1 1 A 7 7 CYS C C 67 175.320 176.153 -0.833 1
1 64 . 18 1 1 A 7 7 CYS CA C 67 60.780 59.966 0.814 1
1 65 . 18 1 1 A 7 7 CYS CB C 67 32.850 28.513 4.337 1
1 66 . 18 1 1 A 7 7 CYS N N 67 123.170 124.482 -1.312 1
1 67 . 18 1 1 A 8 8 CYS H H 68 8.170 8.720 -0.550 1
1 68 . 18 1 1 A 8 8 CYS HA H 68 4.280 4.657 -0.377 1
1 72 . 18 1 1 A 8 8 CYS C C 68 172.410 174.355 -1.945 1
1 73 . 18 1 1 A 8 8 CYS CA C 68 58.920 58.735 0.185 1
1 74 . 18 1 1 A 8 8 CYS CB C 68 28.920 28.323 0.597 1
1 75 . 18 1 1 A 8 8 CYS N N 68 124.700 122.792 1.908 1
1 76 . 18 1 1 A 9 9 LEU H H 69 8.180 7.206 0.974 1
1 77 . 18 1 1 A 9 9 LEU HA H 69 4.580 4.444 0.136 1
1 87 . 18 1 1 A 9 9 LEU C C 69 176.770 175.798 0.972 1
1 88 . 18 1 1 A 9 9 LEU CA C 69 54.760 53.212 1.548 1
1 89 . 18 1 1 A 9 9 LEU CB C 69 43.150 44.291 -1.141 1
1 93 . 18 1 1 A 9 9 LEU N N 69 122.650 122.857 -0.207 1
1 94 . 18 1 1 A 10 10 ARG H H 70 8.880 8.450 0.430 1
1 95 . 18 1 1 A 10 10 ARG HA H 70 4.770 5.575 -0.805 1
1 102 . 18 1 1 A 10 10 ARG C C 70 174.900 174.464 0.436 1
1 103 . 18 1 1 A 10 10 ARG CA C 70 54.710 54.292 0.418 1
1 104 . 18 1 1 A 10 10 ARG CB C 70 33.390 33.530 -0.140 1
1 107 . 18 1 1 A 10 10 ARG N N 70 117.650 119.936 -2.286 1
1 108 . 18 1 1 A 11 11 GLU H H 71 8.640 9.726 -1.086 1
1 109 . 18 1 1 A 11 11 GLU HA H 71 5.090 4.770 0.320 1
1 113 . 18 1 1 A 11 11 GLU C C 71 176.070 175.357 0.713 1
1 114 . 18 1 1 A 11 11 GLU CA C 71 54.270 55.619 -1.349 1
1 115 . 18 1 1 A 11 11 GLU CB C 71 32.460 31.826 0.634 1
1 117 . 18 1 1 A 11 11 GLU N N 71 123.910 124.323 -0.413 1
1 118 . 18 1 1 A 12 12 ASP H H 72 9.510 9.195 0.315 1
1 119 . 18 1 1 A 12 12 ASP HA H 72 4.270 4.398 -0.128 1
1 122 . 18 1 1 A 12 12 ASP C C 72 175.890 176.157 -0.267 1
1 123 . 18 1 1 A 12 12 ASP CA C 72 55.880 55.353 0.527 1
1 124 . 18 1 1 A 12 12 ASP CB C 72 39.910 39.383 0.527 1
1 125 . 18 1 1 A 12 12 ASP N N 72 129.440 128.327 1.113 1
1 126 . 18 1 1 A 13 13 GLY H H 73 8.970 8.328 0.642 1
1 127 . 18 1 1 A 13 13 GLY HA2 H 73 3.520 3.890 -0.370 1
1 128 . 18 1 1 A 13 13 GLY HA3 H 73 4.200 3.893 0.307 1
1 129 . 18 1 1 A 13 13 GLY C C 73 173.960 173.813 0.147 1
1 130 . 18 1 1 A 13 13 GLY CA C 73 45.350 45.175 0.175 1
1 131 . 18 1 1 A 13 13 GLY N N 73 103.500 104.886 -1.386 1
1 132 . 18 1 1 A 14 14 GLU H H 74 7.660 7.887 -0.227 1
1 133 . 18 1 1 A 14 14 GLU HA H 74 4.640 4.495 0.145 1
1 138 . 18 1 1 A 14 14 GLU C C 74 176.170 176.309 -0.139 1
1 139 . 18 1 1 A 14 14 GLU CA C 74 54.460 55.529 -1.069 1
1 140 . 18 1 1 A 14 14 GLU CB C 74 32.050 30.842 1.208 1
1 142 . 18 1 1 A 14 14 GLU N N 74 121.330 120.257 1.073 1
1 143 . 18 1 1 A 15 15 ARG H H 75 9.000 8.756 0.244 1
1 144 . 18 1 1 A 15 15 ARG HA H 75 4.120 4.477 -0.357 1
1 150 . 18 1 1 A 15 15 ARG C C 75 175.230 175.796 -0.566 1
1 151 . 18 1 1 A 15 15 ARG CA C 75 56.640 55.141 1.499 1
1 152 . 18 1 1 A 15 15 ARG CB C 75 29.720 28.532 1.188 1
1 155 . 18 1 1 A 15 15 ARG N N 75 127.990 123.539 4.451 1
1 156 . 18 1 1 A 16 16 CYS H H 76 8.870 8.882 -0.012 1
1 157 . 18 1 1 A 16 16 CYS HA H 76 4.170 4.304 -0.134 1
1 160 . 18 1 1 A 16 16 CYS CA C 76 61.840 61.147 0.693 1
1 161 . 18 1 1 A 16 16 CYS CB C 76 31.150 28.025 3.125 1
1 162 . 18 1 1 A 16 16 CYS N N 76 131.840 118.488 13.352 1
1 163 . 18 1 1 A 17 17 GLY H H 77 8.530 8.094 0.436 1
1 164 . 18 1 1 A 17 17 GLY HA2 H 77 3.680 3.957 -0.277 1
1 165 . 18 1 1 A 17 17 GLY HA3 H 77 4.340 3.976 0.364 1
1 166 . 18 1 1 A 17 17 GLY C C 77 174.620 174.257 0.363 1
1 167 . 18 1 1 A 17 17 GLY CA C 77 45.110 44.995 0.115 1
1 168 . 18 1 1 A 17 17 GLY N N 77 111.930 108.555 3.375 1
1 169 . 18 1 1 A 18 18 ARG H H 78 8.960 7.836 1.124 1
1 170 . 18 1 1 A 18 18 ARG HA H 78 4.290 4.281 0.009 1
1 177 . 18 1 1 A 18 18 ARG C C 78 175.270 175.769 -0.499 1
1 178 . 18 1 1 A 18 18 ARG CA C 78 56.350 56.059 0.291 1
1 179 . 18 1 1 A 18 18 ARG CB C 78 31.310 31.332 -0.022 1
1 182 . 18 1 1 A 18 18 ARG N N 78 124.390 122.696 1.694 1
1 183 . 18 1 1 A 19 19 ALA H H 79 8.340 8.286 0.054 1
1 184 . 18 1 1 A 19 19 ALA HA H 79 4.170 4.620 -0.450 1
1 188 . 18 1 1 A 19 19 ALA C C 79 177.620 177.328 0.292 1
1 189 . 18 1 1 A 19 19 ALA CA C 79 52.710 51.982 0.728 1
1 190 . 18 1 1 A 19 19 ALA CB C 79 18.710 19.163 -0.453 1
1 191 . 18 1 1 A 19 19 ALA N N 79 123.880 126.712 -2.832 1
1 192 . 18 1 1 A 20 20 ALA H H 80 8.470 9.142 -0.672 1
1 193 . 18 1 1 A 20 20 ALA HA H 80 3.540 4.709 -1.169 1
1 197 . 18 1 1 A 20 20 ALA C C 80 177.560 177.905 -0.345 1
1 198 . 18 1 1 A 20 20 ALA CA C 80 52.840 51.656 1.184 1
1 199 . 18 1 1 A 20 20 ALA CB C 80 19.050 19.552 -0.502 1
1 200 . 18 1 1 A 20 20 ALA N N 80 124.580 122.926 1.654 1
1 201 . 18 1 1 A 21 21 GLY H H 81 8.090 8.116 -0.026 1
1 202 . 18 1 1 A 21 21 GLY HA2 H 81 3.800 4.165 -0.365 1
1 203 . 18 1 1 A 21 21 GLY HA3 H 81 4.430 4.178 0.252 1
1 204 . 18 1 1 A 21 21 GLY C C 81 173.170 174.859 -1.689 1
1 205 . 18 1 1 A 21 21 GLY CA C 81 44.390 44.455 -0.065 1
1 206 . 18 1 1 A 21 21 GLY N N 81 114.000 108.339 5.661 1
1 207 . 18 1 1 A 22 22 ASN H H 82 8.690 8.435 0.255 1
1 208 . 18 1 1 A 22 22 ASN HA H 82 4.650 4.973 -0.323 1
1 213 . 18 1 1 A 22 22 ASN C C 82 176.260 173.499 2.761 1
1 214 . 18 1 1 A 22 22 ASN CA C 82 53.580 53.059 0.521 1
1 215 . 18 1 1 A 22 22 ASN CB C 82 39.580 39.168 0.412 1
1 216 . 18 1 1 A 22 22 ASN N N 82 118.160 119.064 -0.904 1
1 218 . 18 1 1 A 23 23 ALA H H 83 8.720 7.518 1.202 1
1 219 . 18 1 1 A 23 23 ALA HA H 83 4.570 4.841 -0.271 1
1 223 . 18 1 1 A 23 23 ALA C C 83 175.910 176.393 -0.483 1
1 224 . 18 1 1 A 23 23 ALA CA C 83 52.340 50.299 2.041 1
1 225 . 18 1 1 A 23 23 ALA CB C 83 19.370 23.064 -3.694 1
1 226 . 18 1 1 A 23 23 ALA N N 83 125.180 122.801 2.379 1
1 227 . 18 1 1 A 24 24 SER H H 84 7.970 8.938 -0.968 1
1 228 . 18 1 1 A 24 24 SER HA H 84 5.310 5.259 0.051 1
1 230 . 18 1 1 A 24 24 SER C C 84 174.620 172.755 1.865 1
1 231 . 18 1 1 A 24 24 SER CA C 84 56.550 55.592 0.958 1
1 232 . 18 1 1 A 24 24 SER CB C 84 66.420 65.998 0.422 1
1 233 . 18 1 1 A 24 24 SER N N 84 112.840 112.660 0.180 1
1 234 . 18 1 1 A 25 25 PHE H H 85 9.580 8.996 0.584 1
1 235 . 18 1 1 A 25 25 PHE HA H 85 4.320 4.795 -0.475 1
1 241 . 18 1 1 A 25 25 PHE C C 85 173.430 174.693 -1.263 1
1 242 . 18 1 1 A 25 25 PHE CA C 85 57.780 57.117 0.663 1
1 243 . 18 1 1 A 25 25 PHE CB C 85 38.780 39.833 -1.053 1
1 247 . 18 1 1 A 25 25 PHE N N 85 125.520 124.860 0.660 1
1 248 . 18 1 1 A 26 26 SER H H 86 6.780 8.358 -1.578 1
1 249 . 18 1 1 A 26 26 SER HA H 86 4.430 4.756 -0.326 1
1 252 . 18 1 1 A 26 26 SER C C 86 174.200 174.825 -0.625 1
1 253 . 18 1 1 A 26 26 SER CA C 86 56.610 55.876 0.734 1
1 254 . 18 1 1 A 26 26 SER CB C 86 66.010 65.332 0.678 1
1 255 . 18 1 1 A 26 26 SER N N 86 118.860 118.569 0.291 1
1 256 . 18 1 1 A 27 27 LYS H H 87 8.710 8.897 -0.187 1
1 257 . 18 1 1 A 27 27 LYS HA H 87 3.850 3.845 0.005 1
1 263 . 18 1 1 A 27 27 LYS C C 87 178.490 178.855 -0.365 1
1 264 . 18 1 1 A 27 27 LYS CA C 87 59.390 59.060 0.330 1
1 265 . 18 1 1 A 27 27 LYS CB C 87 31.970 31.929 0.041 1
1 269 . 18 1 1 A 27 27 LYS N N 87 121.790 118.172 3.618 1
1 270 . 18 1 1 A 28 28 ARG H H 88 8.010 7.724 0.286 1
1 271 . 18 1 1 A 28 28 ARG HA H 88 3.990 3.996 -0.006 1
1 277 . 18 1 1 A 28 28 ARG C C 88 178.890 178.732 0.158 1
1 278 . 18 1 1 A 28 28 ARG CA C 88 59.010 58.673 0.337 1
1 279 . 18 1 1 A 28 28 ARG CB C 88 30.120 29.817 0.303 1
1 282 . 18 1 1 A 28 28 ARG N N 88 119.520 119.144 0.376 1
1 283 . 18 1 1 A 29 29 ILE H H 89 7.350 8.052 -0.702 1
1 284 . 18 1 1 A 29 29 ILE HA H 89 3.680 3.696 -0.016 1
1 294 . 18 1 1 A 29 29 ILE C C 89 177.620 178.092 -0.472 1
1 295 . 18 1 1 A 29 29 ILE CA C 89 63.170 65.077 -1.907 1
1 296 . 18 1 1 A 29 29 ILE CB C 89 36.900 36.987 -0.087 1
1 300 . 18 1 1 A 29 29 ILE N N 89 121.980 119.764 2.216 1
1 301 . 18 1 1 A 30 30 GLN H H 90 7.990 7.991 -0.001 1
1 302 . 18 1 1 A 30 30 GLN HA H 90 3.630 4.013 -0.383 1
1 308 . 18 1 1 A 30 30 GLN C C 90 178.320 178.759 -0.439 1
1 309 . 18 1 1 A 30 30 GLN CA C 90 59.200 59.340 -0.140 1
1 310 . 18 1 1 A 30 30 GLN CB C 90 28.700 28.071 0.629 1
1 312 . 18 1 1 A 30 30 GLN N N 90 121.020 120.725 0.295 1
1 314 . 18 1 1 A 31 31 LYS H H 91 7.990 8.268 -0.278 1
1 315 . 18 1 1 A 31 31 LYS HA H 91 4.090 4.034 0.056 1
1 321 . 18 1 1 A 31 31 LYS C C 91 178.650 178.674 -0.024 1
1 322 . 18 1 1 A 31 31 LYS CA C 91 58.720 59.206 -0.486 1
1 323 . 18 1 1 A 31 31 LYS CB C 91 32.220 32.305 -0.085 1
1 327 . 18 1 1 A 31 31 LYS N N 91 119.520 119.466 0.054 1
1 328 . 18 1 1 A 32 32 SER H H 92 7.770 8.077 -0.307 1
1 329 . 18 1 1 A 32 32 SER HA H 92 4.320 4.137 0.183 1
1 332 . 18 1 1 A 32 32 SER C C 92 176.110 176.007 0.103 1
1 333 . 18 1 1 A 32 32 SER CA C 92 61.260 62.201 -0.941 1
1 334 . 18 1 1 A 32 32 SER CB C 92 63.610 63.173 0.437 1
1 335 . 18 1 1 A 32 32 SER N N 92 116.310 116.096 0.214 1
1 336 . 18 1 1 A 33 33 ILE H H 93 7.960 7.861 0.099 1
1 337 . 18 1 1 A 33 33 ILE HA H 93 3.920 3.799 0.121 1
1 347 . 18 1 1 A 33 33 ILE C C 93 177.480 178.160 -0.680 1
1 348 . 18 1 1 A 33 33 ILE CA C 93 63.610 65.330 -1.720 1
1 349 . 18 1 1 A 33 33 ILE CB C 93 38.330 37.478 0.852 1
1 353 . 18 1 1 A 33 33 ILE N N 93 119.950 121.724 -1.774 1
1 354 . 18 1 1 A 34 34 SER H H 94 7.970 7.970 0.000 1
1 355 . 18 1 1 A 34 34 SER HA H 94 4.390 4.025 0.365 1
1 357 . 18 1 1 A 34 34 SER C C 94 176.490 175.777 0.713 1
1 358 . 18 1 1 A 34 34 SER CA C 94 60.560 61.899 -1.339 1
1 359 . 18 1 1 A 34 34 SER CB C 94 63.130 62.748 0.382 1
1 360 . 18 1 1 A 34 34 SER N N 94 117.230 115.833 1.397 1
1 361 . 18 1 1 A 35 35 GLN H H 95 8.220 7.969 0.251 1
1 362 . 18 1 1 A 35 35 GLN HA H 95 4.260 4.017 0.243 1
1 369 . 18 1 1 A 35 35 GLN C C 95 177.050 178.256 -1.206 1
1 370 . 18 1 1 A 35 35 GLN CA C 95 57.360 58.982 -1.622 1
1 371 . 18 1 1 A 35 35 GLN CB C 95 28.900 28.469 0.431 1
1 373 . 18 1 1 A 35 35 GLN N N 95 121.530 120.837 0.693 1
1 375 . 18 1 1 A 36 36 LYS H H 96 7.870 7.677 0.193 1
1 376 . 18 1 1 A 36 36 LYS HA H 96 4.280 4.180 0.100 1
1 383 . 18 1 1 A 36 36 LYS C C 96 176.160 176.552 -0.392 1
1 384 . 18 1 1 A 36 36 LYS CA C 96 56.570 58.279 -1.709 1
1 385 . 18 1 1 A 36 36 LYS CB C 96 33.600 32.695 0.905 1
1 389 . 18 1 1 A 36 36 LYS N N 96 118.550 116.560 1.990 1
1 390 . 18 1 1 A 37 37 LYS H H 97 8.110 8.418 -0.308 1
1 391 . 18 1 1 A 37 37 LYS HA H 97 4.110 3.889 0.221 1
1 396 . 18 1 1 A 37 37 LYS C C 97 176.210 175.330 0.880 1
1 397 . 18 1 1 A 37 37 LYS CA C 97 57.230 57.401 -0.171 1
1 398 . 18 1 1 A 37 37 LYS CB C 97 30.580 30.769 -0.189 1
1 402 . 18 1 1 A 37 37 LYS N N 97 117.680 118.653 -0.973 1
1 403 . 18 1 1 A 38 38 VAL H H 98 7.430 7.743 -0.313 1
1 404 . 18 1 1 A 38 38 VAL HA H 98 4.350 4.701 -0.351 1
1 412 . 18 1 1 A 38 38 VAL C C 98 175.830 175.057 0.773 1
1 413 . 18 1 1 A 38 38 VAL CA C 98 60.580 59.309 1.271 1
1 414 . 18 1 1 A 38 38 VAL CB C 98 33.410 34.302 -0.892 1
1 417 . 18 1 1 A 38 38 VAL N N 98 115.860 114.876 0.984 1
1 418 . 18 1 1 A 39 39 LYS H H 99 8.960 8.394 0.566 1
1 419 . 18 1 1 A 39 39 LYS HA H 99 4.430 4.425 0.005 1
1 425 . 18 1 1 A 39 39 LYS C C 99 175.700 174.477 1.223 1
1 426 . 18 1 1 A 39 39 LYS CA C 99 55.420 56.141 -0.721 1
1 427 . 18 1 1 A 39 39 LYS CB C 99 30.580 30.544 0.036 1
1 431 . 18 1 1 A 39 39 LYS N N 99 127.710 119.825 7.885 1
1 432 . 18 1 1 A 40 40 ILE H H 100 7.660 7.673 -0.013 1
1 433 . 18 1 1 A 40 40 ILE HA H 100 5.020 5.021 -0.001 1
1 443 . 18 1 1 A 40 40 ILE C C 100 174.520 174.529 -0.009 1
1 444 . 18 1 1 A 40 40 ILE CA C 100 59.370 60.416 -1.046 1
1 445 . 18 1 1 A 40 40 ILE CB C 100 40.650 41.219 -0.569 1
1 449 . 18 1 1 A 40 40 ILE N N 100 123.140 122.301 0.839 1
1 450 . 18 1 1 A 41 41 GLU H H 101 8.490 8.978 -0.488 1
1 451 . 18 1 1 A 41 41 GLU HA H 101 4.620 4.973 -0.353 1
1 456 . 18 1 1 A 41 41 GLU C C 101 173.590 174.577 -0.987 1
1 457 . 18 1 1 A 41 41 GLU CA C 101 53.740 54.582 -0.842 1
1 458 . 18 1 1 A 41 41 GLU CB C 101 34.580 33.505 1.075 1
1 460 . 18 1 1 A 41 41 GLU N N 101 123.460 124.320 -0.860 1
1 461 . 18 1 1 A 42 42 LEU H H 102 8.490 8.218 0.272 1
1 462 . 18 1 1 A 42 42 LEU HA H 102 3.790 4.030 -0.240 1
1 472 . 18 1 1 A 42 42 LEU C C 102 176.440 175.277 1.163 1
1 473 . 18 1 1 A 42 42 LEU CA C 102 55.190 55.591 -0.401 1
1 474 . 18 1 1 A 42 42 LEU CB C 102 43.100 42.564 0.536 1
1 478 . 18 1 1 A 42 42 LEU N N 102 123.470 125.628 -2.158 1
1 479 . 18 1 1 A 43 43 ASP H H 103 8.770 8.035 0.735 1
1 480 . 18 1 1 A 43 43 ASP HA H 103 4.520 4.789 -0.269 1
1 483 . 18 1 1 A 43 43 ASP C C 103 177.600 176.273 1.327 1
1 484 . 18 1 1 A 43 43 ASP CA C 103 53.740 53.171 0.569 1
1 485 . 18 1 1 A 43 43 ASP CB C 103 41.880 42.744 -0.864 1
1 486 . 18 1 1 A 43 43 ASP N N 103 127.210 125.762 1.448 1
1 487 . 18 1 1 A 44 44 LYS H H 104 8.910 8.891 0.019 1
1 488 . 18 1 1 A 44 44 LYS HA H 104 3.920 4.309 -0.389 1
1 495 . 18 1 1 A 44 44 LYS C C 104 177.340 178.458 -1.118 1
1 496 . 18 1 1 A 44 44 LYS CA C 104 58.930 56.954 1.976 1
1 497 . 18 1 1 A 44 44 LYS CB C 104 32.000 32.599 -0.599 1
1 501 . 18 1 1 A 44 44 LYS N N 104 129.080 127.161 1.919 1
1 502 . 18 1 1 A 45 45 SER H H 105 8.740 7.871 0.869 1
1 503 . 18 1 1 A 45 45 SER HA H 105 4.370 4.304 0.066 1
1 506 . 18 1 1 A 45 45 SER C C 105 175.040 175.382 -0.342 1
1 507 . 18 1 1 A 45 45 SER CA C 105 59.150 61.546 -2.396 1
1 508 . 18 1 1 A 45 45 SER CB C 105 63.830 62.781 1.049 1
1 509 . 18 1 1 A 45 45 SER N N 105 115.270 112.658 2.612 1
1 510 . 18 1 1 A 46 46 ALA H H 106 7.430 7.484 -0.054 1
1 511 . 18 1 1 A 46 46 ALA HA H 106 4.150 4.191 -0.041 1
1 515 . 18 1 1 A 46 46 ALA CA C 106 53.300 52.152 1.148 1
1 516 . 18 1 1 A 46 46 ALA CB C 106 19.190 20.200 -1.010 1
1 517 . 18 1 1 A 46 46 ALA N N 106 125.120 125.273 -0.153 1
1 518 . 18 1 1 A 47 47 ARG HA H 107 4.280 4.648 -0.368 1
1 526 . 18 1 1 A 48 48 HIS HA H 108 4.650 5.298 -0.648 1
1 531 . 18 1 1 A 48 48 HIS C C 108 173.160 174.268 -1.108 1
1 532 . 18 1 1 A 48 48 HIS CA C 108 54.990 53.293 1.697 1
1 533 . 18 1 1 A 48 48 HIS CB C 108 33.400 32.773 0.627 1
1 538 . 18 1 1 A 49 49 LEU H H 109 8.030 8.789 -0.759 1
1 539 . 18 1 1 A 49 49 LEU HA H 109 5.040 4.638 0.402 1
1 549 . 18 1 1 A 49 49 LEU CA C 109 54.480 55.088 -0.608 1
1 550 . 18 1 1 A 49 49 LEU CB C 109 43.010 42.878 0.132 1
1 554 . 18 1 1 A 49 49 LEU N N 109 120.130 119.510 0.620 1
1 555 . 18 1 1 A 50 50 TYR HA H 110 5.020 4.828 0.192 1
1 560 . 18 1 1 A 50 50 TYR C C 110 176.960 175.507 1.453 1
1 561 . 18 1 1 A 50 50 TYR CA C 110 60.340 58.696 1.644 1
1 562 . 18 1 1 A 50 50 TYR CB C 110 39.210 37.338 1.872 1
1 565 . 18 1 1 A 51 51 ILE H H 111 8.510 8.489 0.021 1
1 566 . 18 1 1 A 51 51 ILE HA H 111 5.960 5.023 0.937 1
1 576 . 18 1 1 A 51 51 ILE C C 111 177.900 175.604 2.296 1
1 577 . 18 1 1 A 51 51 ILE CA C 111 58.100 59.239 -1.139 1
1 578 . 18 1 1 A 51 51 ILE CB C 111 41.370 41.393 -0.023 1
1 582 . 18 1 1 A 51 51 ILE N N 111 115.050 120.891 -5.841 1
1 583 . 18 1 1 A 52 52 CYS H H 112 9.830 8.816 1.014 1
1 584 . 18 1 1 A 52 52 CYS HA H 112 5.000 4.788 0.212 1
1 587 . 18 1 1 A 52 52 CYS C C 112 175.420 175.540 -0.120 1
1 588 . 18 1 1 A 52 52 CYS CA C 112 57.770 57.829 -0.059 1
1 589 . 18 1 1 A 52 52 CYS CB C 112 33.120 30.030 3.090 1
1 590 . 18 1 1 A 52 52 CYS N N 112 125.820 121.496 4.324 1
1 591 . 18 1 1 A 53 53 ASP H H 113 9.000 9.013 -0.013 1
1 592 . 18 1 1 A 53 53 ASP HA H 113 4.510 4.326 0.184 1
1 594 . 18 1 1 A 53 53 ASP C C 113 178.140 177.694 0.446 1
1 595 . 18 1 1 A 53 53 ASP CA C 113 57.330 57.135 0.195 1
1 596 . 18 1 1 A 53 53 ASP CB C 113 39.730 40.465 -0.735 1
1 597 . 18 1 1 A 53 53 ASP N N 113 121.960 122.334 -0.374 1
1 598 . 18 1 1 A 54 54 TYR H H 114 8.220 8.009 0.211 1
1 599 . 18 1 1 A 54 54 TYR HA H 114 4.100 4.199 -0.099 1
1 604 . 18 1 1 A 54 54 TYR C C 114 178.410 177.274 1.136 1
1 605 . 18 1 1 A 54 54 TYR CA C 114 61.970 61.661 0.309 1
1 606 . 18 1 1 A 54 54 TYR CB C 114 37.150 39.237 -2.087 1
1 609 . 18 1 1 A 54 54 TYR N N 114 123.510 120.904 2.606 1
1 610 . 18 1 1 A 55 55 HIS H H 115 10.090 7.725 2.365 1
1 611 . 18 1 1 A 55 55 HIS HA H 115 4.040 4.172 -0.132 1
1 616 . 18 1 1 A 55 55 HIS C C 115 177.240 177.532 -0.292 1
1 617 . 18 1 1 A 55 55 HIS CA C 115 63.870 59.882 3.988 1
1 618 . 18 1 1 A 55 55 HIS CB C 115 29.600 29.876 -0.276 1
1 621 . 18 1 1 A 55 55 HIS N N 115 124.830 116.948 7.882 1
1 624 . 18 1 1 A 56 56 LYS H H 116 8.830 8.165 0.665 1
1 625 . 18 1 1 A 56 56 LYS HA H 116 3.720 3.877 -0.157 1
1 633 . 18 1 1 A 56 56 LYS C C 116 178.140 178.909 -0.769 1
1 634 . 18 1 1 A 56 56 LYS CA C 116 60.590 60.003 0.587 1
1 635 . 18 1 1 A 56 56 LYS CB C 116 32.230 32.486 -0.256 1
1 639 . 18 1 1 A 56 56 LYS N N 116 123.340 120.622 2.718 1
1 640 . 18 1 1 A 57 57 ASN H H 117 8.140 8.119 0.021 1
1 641 . 18 1 1 A 57 57 ASN HA H 117 4.340 4.491 -0.151 1
1 646 . 18 1 1 A 57 57 ASN C C 117 177.570 177.312 0.258 1
1 647 . 18 1 1 A 57 57 ASN CA C 117 55.890 56.275 -0.385 1
1 648 . 18 1 1 A 57 57 ASN CB C 117 38.070 38.792 -0.722 1
1 649 . 18 1 1 A 57 57 ASN N N 117 116.920 118.379 -1.459 1
1 651 . 18 1 1 A 58 58 LEU H H 118 7.890 7.930 -0.040 1
1 652 . 18 1 1 A 58 58 LEU HA H 118 3.930 3.974 -0.044 1
1 662 . 18 1 1 A 58 58 LEU C C 118 179.400 178.801 0.599 1
1 663 . 18 1 1 A 58 58 LEU CA C 118 58.420 58.245 0.175 1
1 664 . 18 1 1 A 58 58 LEU CB C 118 43.170 41.236 1.934 1
1 668 . 18 1 1 A 58 58 LEU N N 118 123.590 120.204 3.386 1
1 669 . 18 1 1 A 59 59 ILE H H 119 8.360 8.234 0.126 1
1 670 . 18 1 1 A 59 59 ILE HA H 119 3.470 3.697 -0.227 1
1 680 . 18 1 1 A 59 59 ILE C C 119 177.290 177.683 -0.393 1
1 681 . 18 1 1 A 59 59 ILE CA C 119 65.260 65.104 0.156 1
1 682 . 18 1 1 A 59 59 ILE CB C 119 38.330 37.611 0.719 1
1 686 . 18 1 1 A 59 59 ILE N N 119 118.630 119.241 -0.611 1
1 687 . 18 1 1 A 60 60 GLN H H 120 7.830 8.279 -0.449 1
1 688 . 18 1 1 A 60 60 GLN HA H 120 4.130 3.923 0.207 1
1 694 . 18 1 1 A 60 60 GLN C C 120 177.240 178.136 -0.896 1
1 695 . 18 1 1 A 60 60 GLN CA C 120 57.750 59.022 -1.272 1
1 696 . 18 1 1 A 60 60 GLN CB C 120 28.910 28.248 0.662 1
1 698 . 18 1 1 A 60 60 GLN N N 120 117.840 119.566 -1.726 1
1 700 . 18 1 1 A 61 61 SER H H 121 7.790 8.217 -0.427 1
1 701 . 18 1 1 A 61 61 SER HA H 121 4.300 4.368 -0.068 1
1 703 . 18 1 1 A 61 61 SER C C 121 175.650 175.277 0.373 1
1 704 . 18 1 1 A 61 61 SER CA C 121 60.090 60.317 -0.227 1
1 705 . 18 1 1 A 61 61 SER CB C 121 63.570 63.275 0.295 1
1 706 . 18 1 1 A 61 61 SER N N 121 115.460 114.621 0.839 1
1 707 . 18 1 1 A 62 62 VAL H H 122 8.020 7.446 0.574 1
1 708 . 18 1 1 A 62 62 VAL HA H 122 4.020 3.826 0.194 1
1 716 . 18 1 1 A 62 62 VAL C C 122 176.960 177.385 -0.425 1
1 717 . 18 1 1 A 62 62 VAL CA C 122 63.600 65.749 -2.149 1
1 718 . 18 1 1 A 62 62 VAL CB C 122 32.300 31.697 0.603 1
1 721 . 18 1 1 A 62 62 VAL N N 122 121.600 120.892 0.708 1
1 722 . 18 1 1 A 63 63 ARG H H 123 8.130 7.662 0.468 1
1 723 . 18 1 1 A 63 63 ARG HA H 123 4.190 4.413 -0.223 1
1 729 . 18 1 1 A 63 63 ARG C C 123 176.490 175.601 0.889 1
1 730 . 18 1 1 A 63 63 ARG CA C 123 57.070 55.325 1.745 1
1 731 . 18 1 1 A 63 63 ARG CB C 123 30.780 31.616 -0.836 1
1 734 . 18 1 1 A 63 63 ARG N N 123 122.770 119.215 3.555 1
1 735 . 18 1 1 A 64 64 ASN H H 124 8.210 7.871 0.339 1
1 736 . 18 1 1 A 64 64 ASN HA H 124 4.650 4.377 0.273 1
1 741 . 18 1 1 A 64 64 ASN C C 124 175.310 175.383 -0.073 1
1 742 . 18 1 1 A 64 64 ASN CA C 124 53.500 53.898 -0.398 1
1 743 . 18 1 1 A 64 64 ASN CB C 124 38.840 36.932 1.908 1
1 744 . 18 1 1 A 64 64 ASN N N 124 119.350 117.131 2.219 1
1 746 . 18 1 1 A 65 65 ARG H H 125 8.100 7.892 0.208 1
1 747 . 18 1 1 A 65 65 ARG HA H 125 4.270 4.184 0.086 1
1 752 . 18 1 1 A 65 65 ARG C C 125 176.310 176.076 0.234 1
1 753 . 18 1 1 A 65 65 ARG CA C 125 56.580 58.025 -1.445 1
1 754 . 18 1 1 A 65 65 ARG CB C 125 30.810 30.850 -0.040 1
1 757 . 18 1 1 A 65 65 ARG N N 125 122.230 119.867 2.363 1
1 758 . 18 1 1 A 66 66 ARG H H 126 8.260 7.609 0.651 1
1 759 . 18 1 1 A 66 66 ARG HA H 126 4.270 4.627 -0.357 1
1 764 . 18 1 1 A 66 66 ARG C C 126 176.210 175.510 0.700 1
1 765 . 18 1 1 A 66 66 ARG CA C 126 56.190 55.937 0.253 1
1 766 . 18 1 1 A 66 66 ARG CB C 126 30.810 32.331 -1.521 1
1 769 . 18 1 1 A 66 66 ARG N N 126 122.760 119.327 3.433 1
1 770 . 18 1 1 A 67 67 LYS H H 127 8.270 8.550 -0.280 1
1 771 . 18 1 1 A 67 67 LYS HA H 127 4.260 4.643 -0.383 1
1 776 . 18 1 1 A 67 67 LYS C C 127 176.450 174.078 2.372 1
1 777 . 18 1 1 A 67 67 LYS CA C 127 56.320 55.698 0.622 1
1 778 . 18 1 1 A 67 67 LYS CB C 127 33.180 36.616 -3.436 1
1 782 . 18 1 1 A 67 67 LYS N N 127 123.620 120.492 3.128 1
1 783 . 18 1 1 A 68 68 ARG H H 128 8.340 8.511 -0.171 1
1 784 . 18 1 1 A 68 68 ARG HA H 128 4.270 4.599 -0.329 1
1 788 . 18 1 1 A 68 68 ARG C C 128 176.250 175.966 0.284 1
1 789 . 18 1 1 A 68 68 ARG CA C 128 56.130 54.682 1.448 1
1 790 . 18 1 1 A 68 68 ARG CB C 128 31.060 31.046 0.014 1
1 793 . 18 1 1 A 68 68 ARG N N 128 123.750 121.513 2.237 1
1 794 . 18 1 1 A 69 69 LYS H H 129 8.450 8.626 -0.176 1
1 795 . 18 1 1 A 69 69 LYS HA H 129 4.250 4.705 -0.455 1
1 800 . 18 1 1 A 69 69 LYS C C 129 177.010 175.833 1.177 1
1 801 . 18 1 1 A 69 69 LYS CA C 129 57.000 56.547 0.453 1
1 802 . 18 1 1 A 69 69 LYS CB C 129 32.940 34.888 -1.948 1
1 806 . 18 1 1 A 69 69 LYS N N 129 124.580 117.666 6.914 1
1 807 . 18 1 1 A 70 70 GLY H H 130 8.500 7.655 0.845 1
1 808 . 18 1 1 A 70 70 GLY HA2 H 130 3.910 4.071 -0.161 1
1 809 . 18 1 1 A 70 70 GLY HA3 H 130 4.010 4.072 -0.062 1
1 810 . 18 1 1 A 70 70 GLY C C 130 173.360 173.264 0.096 1
1 811 . 18 1 1 A 70 70 GLY CA C 130 45.370 45.910 -0.540 1
1 812 . 18 1 1 A 70 70 GLY N N 130 112.470 108.308 4.162 1
1 6 . 19 1 1 A 2 2 ASN HA H 62 4.610 5.055 -0.445 1
1 10 . 19 1 1 A 2 2 ASN C C 62 174.760 176.021 -1.261 1
1 11 . 19 1 1 A 2 2 ASN CA C 62 53.100 54.375 -1.275 1
1 12 . 19 1 1 A 2 2 ASN CB C 62 38.790 41.742 -2.952 1
1 14 . 19 1 1 A 3 3 ALA H H 63 8.300 7.960 0.340 1
1 15 . 19 1 1 A 3 3 ALA HA H 63 4.200 4.466 -0.266 1
1 19 . 19 1 1 A 3 3 ALA C C 63 178.180 177.347 0.833 1
1 20 . 19 1 1 A 3 3 ALA CA C 63 53.070 51.196 1.874 1
1 21 . 19 1 1 A 3 3 ALA CB C 63 18.960 20.630 -1.670 1
1 22 . 19 1 1 A 3 3 ALA N N 63 125.390 119.016 6.374 1
1 23 . 19 1 1 A 4 4 GLY H H 64 8.340 7.891 0.449 1
1 24 . 19 1 1 A 4 4 GLY HA2 H 64 3.800 4.116 -0.316 1
1 25 . 19 1 1 A 4 4 GLY HA3 H 64 3.860 4.128 -0.268 1
1 26 . 19 1 1 A 4 4 GLY C C 64 174.010 173.574 0.436 1
1 27 . 19 1 1 A 4 4 GLY CA C 64 45.350 45.933 -0.583 1
1 28 . 19 1 1 A 4 4 GLY N N 64 109.300 105.350 3.950 1
1 29 . 19 1 1 A 5 5 GLN H H 65 7.950 8.359 -0.409 1
1 30 . 19 1 1 A 5 5 GLN HA H 65 4.330 4.611 -0.281 1
1 35 . 19 1 1 A 5 5 GLN C C 65 175.560 175.196 0.364 1
1 36 . 19 1 1 A 5 5 GLN CA C 65 55.400 55.756 -0.356 1
1 37 . 19 1 1 A 5 5 GLN CB C 65 29.860 30.809 -0.949 1
1 39 . 19 1 1 A 5 5 GLN N N 65 119.540 121.264 -1.724 1
1 41 . 19 1 1 A 6 6 LEU H H 66 8.740 8.640 0.100 1
1 42 . 19 1 1 A 6 6 LEU HA H 66 4.610 5.103 -0.493 1
1 52 . 19 1 1 A 6 6 LEU C C 66 175.750 175.788 -0.038 1
1 53 . 19 1 1 A 6 6 LEU CA C 66 54.010 53.327 0.683 1
1 54 . 19 1 1 A 6 6 LEU CB C 66 43.490 45.720 -2.230 1
1 58 . 19 1 1 A 6 6 LEU N N 66 126.120 120.957 5.163 1
1 59 . 19 1 1 A 7 7 CYS H H 67 8.470 9.268 -0.798 1
1 60 . 19 1 1 A 7 7 CYS HA H 67 4.140 4.664 -0.524 1
1 63 . 19 1 1 A 7 7 CYS C C 67 175.320 175.479 -0.159 1
1 64 . 19 1 1 A 7 7 CYS CA C 67 60.780 59.581 1.199 1
1 65 . 19 1 1 A 7 7 CYS CB C 67 32.850 28.380 4.470 1
1 66 . 19 1 1 A 7 7 CYS N N 67 123.170 122.563 0.607 1
1 67 . 19 1 1 A 8 8 CYS H H 68 8.170 8.611 -0.441 1
1 68 . 19 1 1 A 8 8 CYS HA H 68 4.280 4.769 -0.489 1
1 72 . 19 1 1 A 8 8 CYS C C 68 172.410 172.941 -0.531 1
1 73 . 19 1 1 A 8 8 CYS CA C 68 58.920 58.286 0.634 1
1 74 . 19 1 1 A 8 8 CYS CB C 68 28.920 28.424 0.496 1
1 75 . 19 1 1 A 8 8 CYS N N 68 124.700 122.129 2.571 1
1 76 . 19 1 1 A 9 9 LEU H H 69 8.180 7.567 0.613 1
1 77 . 19 1 1 A 9 9 LEU HA H 69 4.580 4.743 -0.163 1
1 87 . 19 1 1 A 9 9 LEU C C 69 176.770 175.820 0.950 1
1 88 . 19 1 1 A 9 9 LEU CA C 69 54.760 53.364 1.396 1
1 89 . 19 1 1 A 9 9 LEU CB C 69 43.150 45.419 -2.269 1
1 93 . 19 1 1 A 9 9 LEU N N 69 122.650 122.130 0.520 1
1 94 . 19 1 1 A 10 10 ARG H H 70 8.880 8.517 0.363 1
1 95 . 19 1 1 A 10 10 ARG HA H 70 4.770 5.123 -0.353 1
1 102 . 19 1 1 A 10 10 ARG C C 70 174.900 174.072 0.828 1
1 103 . 19 1 1 A 10 10 ARG CA C 70 54.710 54.071 0.639 1
1 104 . 19 1 1 A 10 10 ARG CB C 70 33.390 32.037 1.353 1
1 107 . 19 1 1 A 10 10 ARG N N 70 117.650 121.563 -3.913 1
1 108 . 19 1 1 A 11 11 GLU H H 71 8.640 9.127 -0.487 1
1 109 . 19 1 1 A 11 11 GLU HA H 71 5.090 5.052 0.038 1
1 113 . 19 1 1 A 11 11 GLU C C 71 176.070 175.481 0.589 1
1 114 . 19 1 1 A 11 11 GLU CA C 71 54.270 55.344 -1.074 1
1 115 . 19 1 1 A 11 11 GLU CB C 71 32.460 31.634 0.826 1
1 117 . 19 1 1 A 11 11 GLU N N 71 123.910 125.379 -1.469 1
1 118 . 19 1 1 A 12 12 ASP H H 72 9.510 9.313 0.197 1
1 119 . 19 1 1 A 12 12 ASP HA H 72 4.270 4.412 -0.142 1
1 122 . 19 1 1 A 12 12 ASP C C 72 175.890 176.370 -0.480 1
1 123 . 19 1 1 A 12 12 ASP CA C 72 55.880 55.324 0.556 1
1 124 . 19 1 1 A 12 12 ASP CB C 72 39.910 39.741 0.169 1
1 125 . 19 1 1 A 12 12 ASP N N 72 129.440 128.228 1.212 1
1 126 . 19 1 1 A 13 13 GLY H H 73 8.970 8.615 0.355 1
1 127 . 19 1 1 A 13 13 GLY HA2 H 73 3.520 3.828 -0.308 1
1 128 . 19 1 1 A 13 13 GLY HA3 H 73 4.200 3.831 0.369 1
1 129 . 19 1 1 A 13 13 GLY C C 73 173.960 173.723 0.237 1
1 130 . 19 1 1 A 13 13 GLY CA C 73 45.350 45.603 -0.253 1
1 131 . 19 1 1 A 13 13 GLY N N 73 103.500 103.350 0.150 1
1 132 . 19 1 1 A 14 14 GLU H H 74 7.660 8.086 -0.426 1
1 133 . 19 1 1 A 14 14 GLU HA H 74 4.640 4.624 0.016 1
1 138 . 19 1 1 A 14 14 GLU C C 74 176.170 175.246 0.924 1
1 139 . 19 1 1 A 14 14 GLU CA C 74 54.460 55.045 -0.585 1
1 140 . 19 1 1 A 14 14 GLU CB C 74 32.050 32.398 -0.348 1
1 142 . 19 1 1 A 14 14 GLU N N 74 121.330 120.651 0.679 1
1 143 . 19 1 1 A 15 15 ARG H H 75 9.000 8.563 0.437 1
1 144 . 19 1 1 A 15 15 ARG HA H 75 4.120 4.230 -0.110 1
1 150 . 19 1 1 A 15 15 ARG C C 75 175.230 177.086 -1.856 1
1 151 . 19 1 1 A 15 15 ARG CA C 75 56.640 56.875 -0.235 1
1 152 . 19 1 1 A 15 15 ARG CB C 75 29.720 30.615 -0.895 1
1 155 . 19 1 1 A 15 15 ARG N N 75 127.990 126.168 1.822 1
1 156 . 19 1 1 A 16 16 CYS H H 76 8.870 8.950 -0.080 1
1 157 . 19 1 1 A 16 16 CYS HA H 76 4.170 4.178 -0.008 1
1 160 . 19 1 1 A 16 16 CYS CA C 76 61.840 61.960 -0.120 1
1 161 . 19 1 1 A 16 16 CYS CB C 76 31.150 27.956 3.194 1
1 162 . 19 1 1 A 16 16 CYS N N 76 131.840 126.254 5.586 1
1 163 . 19 1 1 A 17 17 GLY H H 77 8.530 8.112 0.418 1
1 164 . 19 1 1 A 17 17 GLY HA2 H 77 3.680 3.923 -0.243 1
1 165 . 19 1 1 A 17 17 GLY HA3 H 77 4.340 3.935 0.405 1
1 166 . 19 1 1 A 17 17 GLY C C 77 174.620 174.064 0.556 1
1 167 . 19 1 1 A 17 17 GLY CA C 77 45.110 45.231 -0.121 1
1 168 . 19 1 1 A 17 17 GLY N N 77 111.930 108.872 3.058 1
1 169 . 19 1 1 A 18 18 ARG H H 78 8.960 7.984 0.976 1
1 170 . 19 1 1 A 18 18 ARG HA H 78 4.290 4.317 -0.027 1
1 177 . 19 1 1 A 18 18 ARG C C 78 175.270 175.854 -0.584 1
1 178 . 19 1 1 A 18 18 ARG CA C 78 56.350 55.810 0.540 1
1 179 . 19 1 1 A 18 18 ARG CB C 78 31.310 31.349 -0.039 1
1 182 . 19 1 1 A 18 18 ARG N N 78 124.390 122.329 2.061 1
1 183 . 19 1 1 A 19 19 ALA H H 79 8.340 8.384 -0.044 1
1 184 . 19 1 1 A 19 19 ALA HA H 79 4.170 4.476 -0.306 1
1 188 . 19 1 1 A 19 19 ALA C C 79 177.620 177.590 0.030 1
1 189 . 19 1 1 A 19 19 ALA CA C 79 52.710 52.887 -0.177 1
1 190 . 19 1 1 A 19 19 ALA CB C 79 18.710 18.979 -0.269 1
1 191 . 19 1 1 A 19 19 ALA N N 79 123.880 127.309 -3.429 1
1 192 . 19 1 1 A 20 20 ALA H H 80 8.470 8.448 0.022 1
1 193 . 19 1 1 A 20 20 ALA HA H 80 3.540 4.306 -0.766 1
1 197 . 19 1 1 A 20 20 ALA C C 80 177.560 177.477 0.083 1
1 198 . 19 1 1 A 20 20 ALA CA C 80 52.840 52.308 0.532 1
1 199 . 19 1 1 A 20 20 ALA CB C 80 19.050 19.533 -0.483 1
1 200 . 19 1 1 A 20 20 ALA N N 80 124.580 124.034 0.546 1
1 201 . 19 1 1 A 21 21 GLY H H 81 8.090 8.264 -0.174 1
1 202 . 19 1 1 A 21 21 GLY HA2 H 81 3.800 4.071 -0.271 1
1 203 . 19 1 1 A 21 21 GLY HA3 H 81 4.430 4.102 0.328 1
1 204 . 19 1 1 A 21 21 GLY C C 81 173.170 174.333 -1.163 1
1 205 . 19 1 1 A 21 21 GLY CA C 81 44.390 44.973 -0.583 1
1 206 . 19 1 1 A 21 21 GLY N N 81 114.000 108.251 5.749 1
1 207 . 19 1 1 A 22 22 ASN H H 82 8.690 8.467 0.223 1
1 208 . 19 1 1 A 22 22 ASN HA H 82 4.650 4.973 -0.323 1
1 213 . 19 1 1 A 22 22 ASN C C 82 176.260 175.411 0.849 1
1 214 . 19 1 1 A 22 22 ASN CA C 82 53.580 53.276 0.304 1
1 215 . 19 1 1 A 22 22 ASN CB C 82 39.580 41.121 -1.541 1
1 216 . 19 1 1 A 22 22 ASN N N 82 118.160 122.765 -4.605 1
1 218 . 19 1 1 A 23 23 ALA H H 83 8.720 7.578 1.142 1
1 219 . 19 1 1 A 23 23 ALA HA H 83 4.570 4.416 0.154 1
1 223 . 19 1 1 A 23 23 ALA C C 83 175.910 177.056 -1.146 1
1 224 . 19 1 1 A 23 23 ALA CA C 83 52.340 52.264 0.076 1
1 225 . 19 1 1 A 23 23 ALA CB C 83 19.370 20.336 -0.966 1
1 226 . 19 1 1 A 23 23 ALA N N 83 125.180 121.963 3.217 1
1 227 . 19 1 1 A 24 24 SER H H 84 7.970 8.764 -0.794 1
1 228 . 19 1 1 A 24 24 SER HA H 84 5.310 5.325 -0.015 1
1 230 . 19 1 1 A 24 24 SER C C 84 174.620 173.008 1.612 1
1 231 . 19 1 1 A 24 24 SER CA C 84 56.550 56.077 0.473 1
1 232 . 19 1 1 A 24 24 SER CB C 84 66.420 65.834 0.586 1
1 233 . 19 1 1 A 24 24 SER N N 84 112.840 111.741 1.099 1
1 234 . 19 1 1 A 25 25 PHE H H 85 9.580 8.937 0.643 1
1 235 . 19 1 1 A 25 25 PHE HA H 85 4.320 4.699 -0.379 1
1 241 . 19 1 1 A 25 25 PHE C C 85 173.430 174.891 -1.461 1
1 242 . 19 1 1 A 25 25 PHE CA C 85 57.780 58.314 -0.534 1
1 243 . 19 1 1 A 25 25 PHE CB C 85 38.780 39.575 -0.795 1
1 247 . 19 1 1 A 25 25 PHE N N 85 125.520 124.390 1.130 1
1 248 . 19 1 1 A 26 26 SER H H 86 6.780 8.357 -1.577 1
1 249 . 19 1 1 A 26 26 SER HA H 86 4.430 4.872 -0.442 1
1 252 . 19 1 1 A 26 26 SER C C 86 174.200 174.847 -0.647 1
1 253 . 19 1 1 A 26 26 SER CA C 86 56.610 55.957 0.653 1
1 254 . 19 1 1 A 26 26 SER CB C 86 66.010 66.232 -0.222 1
1 255 . 19 1 1 A 26 26 SER N N 86 118.860 118.790 0.070 1
1 256 . 19 1 1 A 27 27 LYS H H 87 8.710 8.657 0.053 1
1 257 . 19 1 1 A 27 27 LYS HA H 87 3.850 3.801 0.049 1
1 263 . 19 1 1 A 27 27 LYS C C 87 178.490 178.734 -0.244 1
1 264 . 19 1 1 A 27 27 LYS CA C 87 59.390 59.233 0.157 1
1 265 . 19 1 1 A 27 27 LYS CB C 87 31.970 32.715 -0.745 1
1 269 . 19 1 1 A 27 27 LYS N N 87 121.790 119.309 2.481 1
1 270 . 19 1 1 A 28 28 ARG H H 88 8.010 7.786 0.224 1
1 271 . 19 1 1 A 28 28 ARG HA H 88 3.990 4.014 -0.024 1
1 277 . 19 1 1 A 28 28 ARG C C 88 178.890 178.727 0.163 1
1 278 . 19 1 1 A 28 28 ARG CA C 88 59.010 58.639 0.371 1
1 279 . 19 1 1 A 28 28 ARG CB C 88 30.120 29.819 0.301 1
1 282 . 19 1 1 A 28 28 ARG N N 88 119.520 119.603 -0.083 1
1 283 . 19 1 1 A 29 29 ILE H H 89 7.350 7.403 -0.053 1
1 284 . 19 1 1 A 29 29 ILE HA H 89 3.680 3.704 -0.024 1
1 294 . 19 1 1 A 29 29 ILE C C 89 177.620 178.011 -0.391 1
1 295 . 19 1 1 A 29 29 ILE CA C 89 63.170 65.042 -1.872 1
1 296 . 19 1 1 A 29 29 ILE CB C 89 36.900 36.395 0.505 1
1 300 . 19 1 1 A 29 29 ILE N N 89 121.980 119.767 2.213 1
1 301 . 19 1 1 A 30 30 GLN H H 90 7.990 8.047 -0.057 1
1 302 . 19 1 1 A 30 30 GLN HA H 90 3.630 3.922 -0.292 1
1 308 . 19 1 1 A 30 30 GLN C C 90 178.320 178.393 -0.073 1
1 309 . 19 1 1 A 30 30 GLN CA C 90 59.200 59.229 -0.029 1
1 310 . 19 1 1 A 30 30 GLN CB C 90 28.700 28.009 0.691 1
1 312 . 19 1 1 A 30 30 GLN N N 90 121.020 121.200 -0.180 1
1 314 . 19 1 1 A 31 31 LYS H H 91 7.990 8.068 -0.078 1
1 315 . 19 1 1 A 31 31 LYS HA H 91 4.090 4.072 0.018 1
1 321 . 19 1 1 A 31 31 LYS C C 91 178.650 178.414 0.236 1
1 322 . 19 1 1 A 31 31 LYS CA C 91 58.720 59.143 -0.423 1
1 323 . 19 1 1 A 31 31 LYS CB C 91 32.220 32.124 0.096 1
1 327 . 19 1 1 A 31 31 LYS N N 91 119.520 120.349 -0.829 1
1 328 . 19 1 1 A 32 32 SER H H 92 7.770 7.837 -0.067 1
1 329 . 19 1 1 A 32 32 SER HA H 92 4.320 4.184 0.136 1
1 332 . 19 1 1 A 32 32 SER C C 92 176.110 177.379 -1.269 1
1 333 . 19 1 1 A 32 32 SER CA C 92 61.260 61.589 -0.329 1
1 334 . 19 1 1 A 32 32 SER CB C 92 63.610 62.906 0.704 1
1 335 . 19 1 1 A 32 32 SER N N 92 116.310 114.418 1.892 1
1 336 . 19 1 1 A 33 33 ILE H H 93 7.960 7.962 -0.002 1
1 337 . 19 1 1 A 33 33 ILE HA H 93 3.920 3.638 0.282 1
1 347 . 19 1 1 A 33 33 ILE C C 93 177.480 178.005 -0.525 1
1 348 . 19 1 1 A 33 33 ILE CA C 93 63.610 64.881 -1.271 1
1 349 . 19 1 1 A 33 33 ILE CB C 93 38.330 37.724 0.606 1
1 353 . 19 1 1 A 33 33 ILE N N 93 119.950 122.197 -2.247 1
1 354 . 19 1 1 A 34 34 SER H H 94 7.970 8.305 -0.335 1
1 355 . 19 1 1 A 34 34 SER HA H 94 4.390 4.071 0.319 1
1 357 . 19 1 1 A 34 34 SER C C 94 176.490 177.210 -0.720 1
1 358 . 19 1 1 A 34 34 SER CA C 94 60.560 61.271 -0.711 1
1 359 . 19 1 1 A 34 34 SER CB C 94 63.130 63.289 -0.159 1
1 360 . 19 1 1 A 34 34 SER N N 94 117.230 115.436 1.794 1
1 361 . 19 1 1 A 35 35 GLN H H 95 8.220 8.018 0.202 1
1 362 . 19 1 1 A 35 35 GLN HA H 95 4.260 4.045 0.215 1
1 369 . 19 1 1 A 35 35 GLN C C 95 177.050 178.285 -1.235 1
1 370 . 19 1 1 A 35 35 GLN CA C 95 57.360 58.994 -1.634 1
1 371 . 19 1 1 A 35 35 GLN CB C 95 28.900 28.648 0.252 1
1 373 . 19 1 1 A 35 35 GLN N N 95 121.530 120.581 0.949 1
1 375 . 19 1 1 A 36 36 LYS H H 96 7.870 7.471 0.399 1
1 376 . 19 1 1 A 36 36 LYS HA H 96 4.280 4.169 0.111 1
1 383 . 19 1 1 A 36 36 LYS C C 96 176.160 176.309 -0.149 1
1 384 . 19 1 1 A 36 36 LYS CA C 96 56.570 58.250 -1.680 1
1 385 . 19 1 1 A 36 36 LYS CB C 96 33.600 32.826 0.774 1
1 389 . 19 1 1 A 36 36 LYS N N 96 118.550 116.304 2.246 1
1 390 . 19 1 1 A 37 37 LYS H H 97 8.110 8.419 -0.309 1
1 391 . 19 1 1 A 37 37 LYS HA H 97 4.110 3.960 0.150 1
1 396 . 19 1 1 A 37 37 LYS C C 97 176.210 175.566 0.644 1
1 397 . 19 1 1 A 37 37 LYS CA C 97 57.230 56.966 0.264 1
1 398 . 19 1 1 A 37 37 LYS CB C 97 30.580 30.470 0.110 1
1 402 . 19 1 1 A 37 37 LYS N N 97 117.680 116.740 0.940 1
1 403 . 19 1 1 A 38 38 VAL H H 98 7.430 7.819 -0.389 1
1 404 . 19 1 1 A 38 38 VAL HA H 98 4.350 4.937 -0.587 1
1 412 . 19 1 1 A 38 38 VAL C C 98 175.830 174.600 1.230 1
1 413 . 19 1 1 A 38 38 VAL CA C 98 60.580 58.678 1.902 1
1 414 . 19 1 1 A 38 38 VAL CB C 98 33.410 36.043 -2.633 1
1 417 . 19 1 1 A 38 38 VAL N N 98 115.860 115.470 0.390 1
1 418 . 19 1 1 A 39 39 LYS H H 99 8.960 8.314 0.646 1
1 419 . 19 1 1 A 39 39 LYS HA H 99 4.430 4.434 -0.004 1
1 425 . 19 1 1 A 39 39 LYS C C 99 175.700 174.535 1.165 1
1 426 . 19 1 1 A 39 39 LYS CA C 99 55.420 56.018 -0.598 1
1 427 . 19 1 1 A 39 39 LYS CB C 99 30.580 30.969 -0.389 1
1 431 . 19 1 1 A 39 39 LYS N N 99 127.710 120.274 7.436 1
1 432 . 19 1 1 A 40 40 ILE H H 100 7.660 7.868 -0.208 1
1 433 . 19 1 1 A 40 40 ILE HA H 100 5.020 5.098 -0.078 1
1 443 . 19 1 1 A 40 40 ILE C C 100 174.520 174.819 -0.299 1
1 444 . 19 1 1 A 40 40 ILE CA C 100 59.370 60.397 -1.027 1
1 445 . 19 1 1 A 40 40 ILE CB C 100 40.650 40.857 -0.207 1
1 449 . 19 1 1 A 40 40 ILE N N 100 123.140 124.971 -1.831 1
1 450 . 19 1 1 A 41 41 GLU H H 101 8.490 9.027 -0.537 1
1 451 . 19 1 1 A 41 41 GLU HA H 101 4.620 4.895 -0.275 1
1 456 . 19 1 1 A 41 41 GLU C C 101 173.590 174.175 -0.585 1
1 457 . 19 1 1 A 41 41 GLU CA C 101 53.740 54.363 -0.623 1
1 458 . 19 1 1 A 41 41 GLU CB C 101 34.580 33.280 1.300 1
1 460 . 19 1 1 A 41 41 GLU N N 101 123.460 124.516 -1.056 1
1 461 . 19 1 1 A 42 42 LEU H H 102 8.490 8.280 0.210 1
1 462 . 19 1 1 A 42 42 LEU HA H 102 3.790 4.412 -0.622 1
1 472 . 19 1 1 A 42 42 LEU C C 102 176.440 175.165 1.275 1
1 473 . 19 1 1 A 42 42 LEU CA C 102 55.190 54.315 0.875 1
1 474 . 19 1 1 A 42 42 LEU CB C 102 43.100 43.501 -0.401 1
1 478 . 19 1 1 A 42 42 LEU N N 102 123.470 123.203 0.267 1
1 479 . 19 1 1 A 43 43 ASP H H 103 8.770 7.935 0.835 1
1 480 . 19 1 1 A 43 43 ASP HA H 103 4.520 4.818 -0.298 1
1 483 . 19 1 1 A 43 43 ASP C C 103 177.600 177.125 0.475 1
1 484 . 19 1 1 A 43 43 ASP CA C 103 53.740 52.906 0.834 1
1 485 . 19 1 1 A 43 43 ASP CB C 103 41.880 42.300 -0.420 1
1 486 . 19 1 1 A 43 43 ASP N N 103 127.210 125.643 1.567 1
1 487 . 19 1 1 A 44 44 LYS H H 104 8.910 9.158 -0.248 1
1 488 . 19 1 1 A 44 44 LYS HA H 104 3.920 4.195 -0.275 1
1 495 . 19 1 1 A 44 44 LYS C C 104 177.340 178.290 -0.950 1
1 496 . 19 1 1 A 44 44 LYS CA C 104 58.930 57.943 0.987 1
1 497 . 19 1 1 A 44 44 LYS CB C 104 32.000 32.196 -0.196 1
1 501 . 19 1 1 A 44 44 LYS N N 104 129.080 127.150 1.930 1
1 502 . 19 1 1 A 45 45 SER H H 105 8.740 7.672 1.068 1
1 503 . 19 1 1 A 45 45 SER HA H 105 4.370 4.302 0.068 1
1 506 . 19 1 1 A 45 45 SER C C 105 175.040 175.226 -0.186 1
1 507 . 19 1 1 A 45 45 SER CA C 105 59.150 59.678 -0.528 1
1 508 . 19 1 1 A 45 45 SER CB C 105 63.830 62.966 0.864 1
1 509 . 19 1 1 A 45 45 SER N N 105 115.270 112.710 2.560 1
1 510 . 19 1 1 A 46 46 ALA H H 106 7.430 7.010 0.420 1
1 511 . 19 1 1 A 46 46 ALA HA H 106 4.150 4.276 -0.126 1
1 515 . 19 1 1 A 46 46 ALA CA C 106 53.300 51.473 1.827 1
1 516 . 19 1 1 A 46 46 ALA CB C 106 19.190 20.105 -0.915 1
1 517 . 19 1 1 A 46 46 ALA N N 106 125.120 125.335 -0.215 1
1 518 . 19 1 1 A 47 47 ARG HA H 107 4.280 4.482 -0.202 1
1 526 . 19 1 1 A 48 48 HIS HA H 108 4.650 4.498 0.152 1
1 531 . 19 1 1 A 48 48 HIS C C 108 173.160 174.732 -1.572 1
1 532 . 19 1 1 A 48 48 HIS CA C 108 54.990 55.750 -0.760 1
1 533 . 19 1 1 A 48 48 HIS CB C 108 33.400 31.239 2.161 1
1 538 . 19 1 1 A 49 49 LEU H H 109 8.030 8.263 -0.233 1
1 539 . 19 1 1 A 49 49 LEU HA H 109 5.040 4.619 0.421 1
1 549 . 19 1 1 A 49 49 LEU CA C 109 54.480 53.755 0.725 1
1 550 . 19 1 1 A 49 49 LEU CB C 109 43.010 42.436 0.574 1
1 554 . 19 1 1 A 49 49 LEU N N 109 120.130 120.347 -0.217 1
1 555 . 19 1 1 A 50 50 TYR HA H 110 5.020 5.409 -0.389 1
1 560 . 19 1 1 A 50 50 TYR C C 110 176.960 175.640 1.320 1
1 561 . 19 1 1 A 50 50 TYR CA C 110 60.340 56.838 3.502 1
1 562 . 19 1 1 A 50 50 TYR CB C 110 39.210 41.160 -1.950 1
1 565 . 19 1 1 A 51 51 ILE H H 111 8.510 8.658 -0.148 1
1 566 . 19 1 1 A 51 51 ILE HA H 111 5.960 5.007 0.953 1
1 576 . 19 1 1 A 51 51 ILE C C 111 177.900 176.131 1.769 1
1 577 . 19 1 1 A 51 51 ILE CA C 111 58.100 59.765 -1.665 1
1 578 . 19 1 1 A 51 51 ILE CB C 111 41.370 40.213 1.157 1
1 582 . 19 1 1 A 51 51 ILE N N 111 115.050 119.672 -4.622 1
1 583 . 19 1 1 A 52 52 CYS H H 112 9.830 8.759 1.071 1
1 584 . 19 1 1 A 52 52 CYS HA H 112 5.000 4.658 0.342 1
1 587 . 19 1 1 A 52 52 CYS C C 112 175.420 175.610 -0.190 1
1 588 . 19 1 1 A 52 52 CYS CA C 112 57.770 58.274 -0.504 1
1 589 . 19 1 1 A 52 52 CYS CB C 112 33.120 29.975 3.145 1
1 590 . 19 1 1 A 52 52 CYS N N 112 125.820 121.847 3.973 1
1 591 . 19 1 1 A 53 53 ASP H H 113 9.000 9.002 -0.002 1
1 592 . 19 1 1 A 53 53 ASP HA H 113 4.510 4.335 0.175 1
1 594 . 19 1 1 A 53 53 ASP C C 113 178.140 178.119 0.021 1
1 595 . 19 1 1 A 53 53 ASP CA C 113 57.330 57.485 -0.155 1
1 596 . 19 1 1 A 53 53 ASP CB C 113 39.730 40.401 -0.671 1
1 597 . 19 1 1 A 53 53 ASP N N 113 121.960 120.736 1.224 1
1 598 . 19 1 1 A 54 54 TYR H H 114 8.220 8.291 -0.071 1
1 599 . 19 1 1 A 54 54 TYR HA H 114 4.100 4.123 -0.023 1
1 604 . 19 1 1 A 54 54 TYR C C 114 178.410 177.241 1.169 1
1 605 . 19 1 1 A 54 54 TYR CA C 114 61.970 61.818 0.152 1
1 606 . 19 1 1 A 54 54 TYR CB C 114 37.150 38.758 -1.608 1
1 609 . 19 1 1 A 54 54 TYR N N 114 123.510 121.626 1.884 1
1 610 . 19 1 1 A 55 55 HIS H H 115 10.090 7.752 2.338 1
1 611 . 19 1 1 A 55 55 HIS HA H 115 4.040 3.871 0.169 1
1 616 . 19 1 1 A 55 55 HIS C C 115 177.240 177.466 -0.226 1
1 617 . 19 1 1 A 55 55 HIS CA C 115 63.870 59.964 3.906 1
1 618 . 19 1 1 A 55 55 HIS CB C 115 29.600 29.725 -0.125 1
1 621 . 19 1 1 A 55 55 HIS N N 115 124.830 117.089 7.741 1
1 624 . 19 1 1 A 56 56 LYS H H 116 8.830 8.031 0.799 1
1 625 . 19 1 1 A 56 56 LYS HA H 116 3.720 3.874 -0.154 1
1 633 . 19 1 1 A 56 56 LYS C C 116 178.140 179.135 -0.995 1
1 634 . 19 1 1 A 56 56 LYS CA C 116 60.590 59.890 0.700 1
1 635 . 19 1 1 A 56 56 LYS CB C 116 32.230 32.395 -0.165 1
1 639 . 19 1 1 A 56 56 LYS N N 116 123.340 119.898 3.442 1
1 640 . 19 1 1 A 57 57 ASN H H 117 8.140 7.935 0.205 1
1 641 . 19 1 1 A 57 57 ASN HA H 117 4.340 4.506 -0.166 1
1 646 . 19 1 1 A 57 57 ASN C C 117 177.570 177.342 0.228 1
1 647 . 19 1 1 A 57 57 ASN CA C 117 55.890 56.482 -0.592 1
1 648 . 19 1 1 A 57 57 ASN CB C 117 38.070 38.942 -0.872 1
1 649 . 19 1 1 A 57 57 ASN N N 117 116.920 118.377 -1.457 1
1 651 . 19 1 1 A 58 58 LEU H H 118 7.890 7.779 0.111 1
1 652 . 19 1 1 A 58 58 LEU HA H 118 3.930 3.976 -0.046 1
1 662 . 19 1 1 A 58 58 LEU C C 118 179.400 178.747 0.653 1
1 663 . 19 1 1 A 58 58 LEU CA C 118 58.420 57.877 0.543 1
1 664 . 19 1 1 A 58 58 LEU CB C 118 43.170 41.526 1.644 1
1 668 . 19 1 1 A 58 58 LEU N N 118 123.590 120.461 3.129 1
1 669 . 19 1 1 A 59 59 ILE H H 119 8.360 7.694 0.666 1
1 670 . 19 1 1 A 59 59 ILE HA H 119 3.470 3.938 -0.468 1
1 680 . 19 1 1 A 59 59 ILE C C 119 177.290 178.012 -0.722 1
1 681 . 19 1 1 A 59 59 ILE CA C 119 65.260 64.219 1.041 1
1 682 . 19 1 1 A 59 59 ILE CB C 119 38.330 38.099 0.231 1
1 686 . 19 1 1 A 59 59 ILE N N 119 118.630 118.981 -0.351 1
1 687 . 19 1 1 A 60 60 GLN H H 120 7.830 8.419 -0.589 1
1 688 . 19 1 1 A 60 60 GLN HA H 120 4.130 3.933 0.197 1
1 694 . 19 1 1 A 60 60 GLN C C 120 177.240 178.518 -1.278 1
1 695 . 19 1 1 A 60 60 GLN CA C 120 57.750 59.022 -1.272 1
1 696 . 19 1 1 A 60 60 GLN CB C 120 28.910 28.644 0.266 1
1 698 . 19 1 1 A 60 60 GLN N N 120 117.840 119.868 -2.028 1
1 700 . 19 1 1 A 61 61 SER H H 121 7.790 7.867 -0.077 1
1 701 . 19 1 1 A 61 61 SER HA H 121 4.300 4.324 -0.024 1
1 703 . 19 1 1 A 61 61 SER C C 121 175.650 175.361 0.289 1
1 704 . 19 1 1 A 61 61 SER CA C 121 60.090 59.890 0.200 1
1 705 . 19 1 1 A 61 61 SER CB C 121 63.570 62.458 1.112 1
1 706 . 19 1 1 A 61 61 SER N N 121 115.460 114.887 0.573 1
1 707 . 19 1 1 A 62 62 VAL H H 122 8.020 7.302 0.718 1
1 708 . 19 1 1 A 62 62 VAL HA H 122 4.020 3.847 0.173 1
1 716 . 19 1 1 A 62 62 VAL C C 122 176.960 177.670 -0.710 1
1 717 . 19 1 1 A 62 62 VAL CA C 122 63.600 65.219 -1.619 1
1 718 . 19 1 1 A 62 62 VAL CB C 122 32.300 32.142 0.158 1
1 721 . 19 1 1 A 62 62 VAL N N 122 121.600 119.648 1.952 1
1 722 . 19 1 1 A 63 63 ARG H H 123 8.130 7.859 0.271 1
1 723 . 19 1 1 A 63 63 ARG HA H 123 4.190 4.360 -0.170 1
1 729 . 19 1 1 A 63 63 ARG C C 123 176.490 175.259 1.231 1
1 730 . 19 1 1 A 63 63 ARG CA C 123 57.070 55.991 1.079 1
1 731 . 19 1 1 A 63 63 ARG CB C 123 30.780 30.651 0.129 1
1 734 . 19 1 1 A 63 63 ARG N N 123 122.770 118.541 4.229 1
1 735 . 19 1 1 A 64 64 ASN H H 124 8.210 7.742 0.468 1
1 736 . 19 1 1 A 64 64 ASN HA H 124 4.650 4.306 0.344 1
1 741 . 19 1 1 A 64 64 ASN C C 124 175.310 174.036 1.274 1
1 742 . 19 1 1 A 64 64 ASN CA C 124 53.500 54.057 -0.557 1
1 743 . 19 1 1 A 64 64 ASN CB C 124 38.840 37.002 1.838 1
1 744 . 19 1 1 A 64 64 ASN N N 124 119.350 115.473 3.877 1
1 746 . 19 1 1 A 65 65 ARG H H 125 8.100 8.058 0.042 1
1 747 . 19 1 1 A 65 65 ARG HA H 125 4.270 4.426 -0.156 1
1 752 . 19 1 1 A 65 65 ARG C C 125 176.310 176.308 0.002 1
1 753 . 19 1 1 A 65 65 ARG CA C 125 56.580 56.032 0.548 1
1 754 . 19 1 1 A 65 65 ARG CB C 125 30.810 30.467 0.343 1
1 757 . 19 1 1 A 65 65 ARG N N 125 122.230 120.097 2.133 1
1 758 . 19 1 1 A 66 66 ARG H H 126 8.260 8.760 -0.500 1
1 759 . 19 1 1 A 66 66 ARG HA H 126 4.270 4.483 -0.213 1
1 764 . 19 1 1 A 66 66 ARG C C 126 176.210 175.621 0.589 1
1 765 . 19 1 1 A 66 66 ARG CA C 126 56.190 55.136 1.054 1
1 766 . 19 1 1 A 66 66 ARG CB C 126 30.810 30.649 0.161 1
1 769 . 19 1 1 A 66 66 ARG N N 126 122.760 127.729 -4.969 1
1 770 . 19 1 1 A 67 67 LYS H H 127 8.270 8.036 0.234 1
1 771 . 19 1 1 A 67 67 LYS HA H 127 4.260 3.770 0.490 1
1 776 . 19 1 1 A 67 67 LYS C C 127 176.450 175.427 1.023 1
1 777 . 19 1 1 A 67 67 LYS CA C 127 56.320 57.185 -0.865 1
1 778 . 19 1 1 A 67 67 LYS CB C 127 33.180 30.737 2.443 1
1 782 . 19 1 1 A 67 67 LYS N N 127 123.620 118.212 5.408 1
1 783 . 19 1 1 A 68 68 ARG H H 128 8.340 7.628 0.712 1
1 784 . 19 1 1 A 68 68 ARG HA H 128 4.270 4.973 -0.703 1
1 788 . 19 1 1 A 68 68 ARG C C 128 176.250 174.984 1.266 1
1 789 . 19 1 1 A 68 68 ARG CA C 128 56.130 54.516 1.614 1
1 790 . 19 1 1 A 68 68 ARG CB C 128 31.060 32.196 -1.136 1
1 793 . 19 1 1 A 68 68 ARG N N 128 123.750 116.291 7.459 1
1 794 . 19 1 1 A 69 69 LYS H H 129 8.450 8.560 -0.110 1
1 795 . 19 1 1 A 69 69 LYS HA H 129 4.250 4.282 -0.032 1
1 800 . 19 1 1 A 69 69 LYS C C 129 177.010 177.473 -0.463 1
1 801 . 19 1 1 A 69 69 LYS CA C 129 57.000 57.895 -0.895 1
1 802 . 19 1 1 A 69 69 LYS CB C 129 32.940 33.012 -0.072 1
1 806 . 19 1 1 A 69 69 LYS N N 129 124.580 117.776 6.804 1
1 807 . 19 1 1 A 70 70 GLY H H 130 8.500 8.143 0.357 1
1 808 . 19 1 1 A 70 70 GLY HA2 H 130 3.910 3.998 -0.088 1
1 809 . 19 1 1 A 70 70 GLY HA3 H 130 4.010 3.999 0.011 1
1 810 . 19 1 1 A 70 70 GLY C C 130 173.360 173.859 -0.499 1
1 811 . 19 1 1 A 70 70 GLY CA C 130 45.370 45.691 -0.321 1
1 812 . 19 1 1 A 70 70 GLY N N 130 112.470 107.483 4.987 1
1 6 . 20 1 1 A 2 2 ASN HA H 62 4.610 4.928 -0.318 1
1 10 . 20 1 1 A 2 2 ASN C C 62 174.760 176.150 -1.390 1
1 11 . 20 1 1 A 2 2 ASN CA C 62 53.100 53.843 -0.743 1
1 12 . 20 1 1 A 2 2 ASN CB C 62 38.790 40.108 -1.318 1
1 14 . 20 1 1 A 3 3 ALA H H 63 8.300 7.934 0.366 1
1 15 . 20 1 1 A 3 3 ALA HA H 63 4.200 4.371 -0.171 1
1 19 . 20 1 1 A 3 3 ALA C C 63 178.180 176.954 1.226 1
1 20 . 20 1 1 A 3 3 ALA CA C 63 53.070 51.091 1.979 1
1 21 . 20 1 1 A 3 3 ALA CB C 63 18.960 19.506 -0.546 1
1 22 . 20 1 1 A 3 3 ALA N N 63 125.390 118.681 6.709 1
1 23 . 20 1 1 A 4 4 GLY H H 64 8.340 7.617 0.723 1
1 24 . 20 1 1 A 4 4 GLY HA2 H 64 3.800 4.092 -0.292 1
1 25 . 20 1 1 A 4 4 GLY HA3 H 64 3.860 4.100 -0.240 1
1 26 . 20 1 1 A 4 4 GLY C C 64 174.010 172.775 1.235 1
1 27 . 20 1 1 A 4 4 GLY CA C 64 45.350 45.624 -0.274 1
1 28 . 20 1 1 A 4 4 GLY N N 64 109.300 106.356 2.944 1
1 29 . 20 1 1 A 5 5 GLN H H 65 7.950 8.572 -0.622 1
1 30 . 20 1 1 A 5 5 GLN HA H 65 4.330 4.728 -0.398 1
1 35 . 20 1 1 A 5 5 GLN C C 65 175.560 174.780 0.780 1
1 36 . 20 1 1 A 5 5 GLN CA C 65 55.400 54.687 0.713 1
1 37 . 20 1 1 A 5 5 GLN CB C 65 29.860 31.057 -1.197 1
1 39 . 20 1 1 A 5 5 GLN N N 65 119.540 121.558 -2.018 1
1 41 . 20 1 1 A 6 6 LEU H H 66 8.740 8.790 -0.050 1
1 42 . 20 1 1 A 6 6 LEU HA H 66 4.610 5.048 -0.438 1
1 52 . 20 1 1 A 6 6 LEU C C 66 175.750 175.842 -0.092 1
1 53 . 20 1 1 A 6 6 LEU CA C 66 54.010 53.340 0.670 1
1 54 . 20 1 1 A 6 6 LEU CB C 66 43.490 45.467 -1.977 1
1 58 . 20 1 1 A 6 6 LEU N N 66 126.120 120.935 5.185 1
1 59 . 20 1 1 A 7 7 CYS H H 67 8.470 8.830 -0.360 1
1 60 . 20 1 1 A 7 7 CYS HA H 67 4.140 4.416 -0.276 1
1 63 . 20 1 1 A 7 7 CYS C C 67 175.320 175.795 -0.475 1
1 64 . 20 1 1 A 7 7 CYS CA C 67 60.780 59.980 0.800 1
1 65 . 20 1 1 A 7 7 CYS CB C 67 32.850 28.247 4.603 1
1 66 . 20 1 1 A 7 7 CYS N N 67 123.170 124.008 -0.838 1
1 67 . 20 1 1 A 8 8 CYS H H 68 8.170 8.808 -0.638 1
1 68 . 20 1 1 A 8 8 CYS HA H 68 4.280 4.728 -0.448 1
1 72 . 20 1 1 A 8 8 CYS C C 68 172.410 172.890 -0.480 1
1 73 . 20 1 1 A 8 8 CYS CA C 68 58.920 58.624 0.296 1
1 74 . 20 1 1 A 8 8 CYS CB C 68 28.920 28.132 0.788 1
1 75 . 20 1 1 A 8 8 CYS N N 68 124.700 124.114 0.586 1
1 76 . 20 1 1 A 9 9 LEU H H 69 8.180 7.142 1.038 1
1 77 . 20 1 1 A 9 9 LEU HA H 69 4.580 4.770 -0.190 1
1 87 . 20 1 1 A 9 9 LEU C C 69 176.770 175.782 0.988 1
1 88 . 20 1 1 A 9 9 LEU CA C 69 54.760 53.664 1.096 1
1 89 . 20 1 1 A 9 9 LEU CB C 69 43.150 46.357 -3.207 1
1 93 . 20 1 1 A 9 9 LEU N N 69 122.650 121.967 0.683 1
1 94 . 20 1 1 A 10 10 ARG H H 70 8.880 8.171 0.709 1
1 95 . 20 1 1 A 10 10 ARG HA H 70 4.770 5.188 -0.418 1
1 102 . 20 1 1 A 10 10 ARG C C 70 174.900 174.080 0.820 1
1 103 . 20 1 1 A 10 10 ARG CA C 70 54.710 54.152 0.558 1
1 104 . 20 1 1 A 10 10 ARG CB C 70 33.390 32.683 0.707 1
1 107 . 20 1 1 A 10 10 ARG N N 70 117.650 120.900 -3.250 1
1 108 . 20 1 1 A 11 11 GLU H H 71 8.640 8.852 -0.212 1
1 109 . 20 1 1 A 11 11 GLU HA H 71 5.090 4.727 0.363 1
1 113 . 20 1 1 A 11 11 GLU C C 71 176.070 175.372 0.698 1
1 114 . 20 1 1 A 11 11 GLU CA C 71 54.270 55.355 -1.085 1
1 115 . 20 1 1 A 11 11 GLU CB C 71 32.460 31.471 0.989 1
1 117 . 20 1 1 A 11 11 GLU N N 71 123.910 125.236 -1.326 1
1 118 . 20 1 1 A 12 12 ASP H H 72 9.510 9.152 0.358 1
1 119 . 20 1 1 A 12 12 ASP HA H 72 4.270 4.512 -0.242 1
1 122 . 20 1 1 A 12 12 ASP C C 72 175.890 176.410 -0.520 1
1 123 . 20 1 1 A 12 12 ASP CA C 72 55.880 55.353 0.527 1
1 124 . 20 1 1 A 12 12 ASP CB C 72 39.910 39.642 0.268 1
1 125 . 20 1 1 A 12 12 ASP N N 72 129.440 128.049 1.391 1
1 126 . 20 1 1 A 13 13 GLY H H 73 8.970 8.672 0.298 1
1 127 . 20 1 1 A 13 13 GLY HA2 H 73 3.520 3.815 -0.295 1
1 128 . 20 1 1 A 13 13 GLY HA3 H 73 4.200 3.818 0.382 1
1 129 . 20 1 1 A 13 13 GLY C C 73 173.960 173.768 0.192 1
1 130 . 20 1 1 A 13 13 GLY CA C 73 45.350 45.544 -0.194 1
1 131 . 20 1 1 A 13 13 GLY N N 73 103.500 103.462 0.038 1
1 132 . 20 1 1 A 14 14 GLU H H 74 7.660 8.047 -0.387 1
1 133 . 20 1 1 A 14 14 GLU HA H 74 4.640 4.694 -0.054 1
1 138 . 20 1 1 A 14 14 GLU C C 74 176.170 175.192 0.978 1
1 139 . 20 1 1 A 14 14 GLU CA C 74 54.460 54.851 -0.391 1
1 140 . 20 1 1 A 14 14 GLU CB C 74 32.050 33.039 -0.989 1
1 142 . 20 1 1 A 14 14 GLU N N 74 121.330 120.625 0.705 1
1 143 . 20 1 1 A 15 15 ARG H H 75 9.000 8.579 0.421 1
1 144 . 20 1 1 A 15 15 ARG HA H 75 4.120 4.095 0.025 1
1 150 . 20 1 1 A 15 15 ARG C C 75 175.230 177.229 -1.999 1
1 151 . 20 1 1 A 15 15 ARG CA C 75 56.640 56.910 -0.270 1
1 152 . 20 1 1 A 15 15 ARG CB C 75 29.720 31.048 -1.328 1
1 155 . 20 1 1 A 15 15 ARG N N 75 127.990 125.467 2.523 1
1 156 . 20 1 1 A 16 16 CYS H H 76 8.870 8.745 0.125 1
1 157 . 20 1 1 A 16 16 CYS HA H 76 4.170 4.140 0.030 1
1 160 . 20 1 1 A 16 16 CYS CA C 76 61.840 61.736 0.104 1
1 161 . 20 1 1 A 16 16 CYS CB C 76 31.150 27.843 3.307 1
1 162 . 20 1 1 A 16 16 CYS N N 76 131.840 125.686 6.154 1
1 163 . 20 1 1 A 17 17 GLY H H 77 8.530 8.087 0.443 1
1 164 . 20 1 1 A 17 17 GLY HA2 H 77 3.680 3.910 -0.230 1
1 165 . 20 1 1 A 17 17 GLY HA3 H 77 4.340 3.926 0.414 1
1 166 . 20 1 1 A 17 17 GLY C C 77 174.620 173.862 0.758 1
1 167 . 20 1 1 A 17 17 GLY CA C 77 45.110 45.112 -0.002 1
1 168 . 20 1 1 A 17 17 GLY N N 77 111.930 108.845 3.085 1
1 169 . 20 1 1 A 18 18 ARG H H 78 8.960 7.904 1.056 1
1 170 . 20 1 1 A 18 18 ARG HA H 78 4.290 4.378 -0.088 1
1 177 . 20 1 1 A 18 18 ARG C C 78 175.270 175.945 -0.675 1
1 178 . 20 1 1 A 18 18 ARG CA C 78 56.350 55.398 0.952 1
1 179 . 20 1 1 A 18 18 ARG CB C 78 31.310 31.023 0.287 1
1 182 . 20 1 1 A 18 18 ARG N N 78 124.390 122.165 2.225 1
1 183 . 20 1 1 A 19 19 ALA H H 79 8.340 8.313 0.027 1
1 184 . 20 1 1 A 19 19 ALA HA H 79 4.170 4.399 -0.229 1
1 188 . 20 1 1 A 19 19 ALA C C 79 177.620 177.635 -0.015 1
1 189 . 20 1 1 A 19 19 ALA CA C 79 52.710 52.603 0.107 1
1 190 . 20 1 1 A 19 19 ALA CB C 79 18.710 19.157 -0.447 1
1 191 . 20 1 1 A 19 19 ALA N N 79 123.880 127.819 -3.939 1
1 192 . 20 1 1 A 20 20 ALA H H 80 8.470 8.425 0.045 1
1 193 . 20 1 1 A 20 20 ALA HA H 80 3.540 4.493 -0.953 1
1 197 . 20 1 1 A 20 20 ALA C C 80 177.560 177.391 0.169 1
1 198 . 20 1 1 A 20 20 ALA CA C 80 52.840 52.066 0.774 1
1 199 . 20 1 1 A 20 20 ALA CB C 80 19.050 19.579 -0.529 1
1 200 . 20 1 1 A 20 20 ALA N N 80 124.580 123.241 1.339 1
1 201 . 20 1 1 A 21 21 GLY H H 81 8.090 8.371 -0.281 1
1 202 . 20 1 1 A 21 21 GLY HA2 H 81 3.800 4.127 -0.327 1
1 203 . 20 1 1 A 21 21 GLY HA3 H 81 4.430 4.158 0.272 1
1 204 . 20 1 1 A 21 21 GLY C C 81 173.170 174.586 -1.416 1
1 205 . 20 1 1 A 21 21 GLY CA C 81 44.390 44.945 -0.555 1
1 206 . 20 1 1 A 21 21 GLY N N 81 114.000 108.573 5.427 1
1 207 . 20 1 1 A 22 22 ASN H H 82 8.690 8.528 0.162 1
1 208 . 20 1 1 A 22 22 ASN HA H 82 4.650 5.146 -0.496 1
1 213 . 20 1 1 A 22 22 ASN C C 82 176.260 175.522 0.738 1
1 214 . 20 1 1 A 22 22 ASN CA C 82 53.580 54.307 -0.727 1
1 215 . 20 1 1 A 22 22 ASN CB C 82 39.580 41.583 -2.003 1
1 216 . 20 1 1 A 22 22 ASN N N 82 118.160 123.730 -5.570 1
1 218 . 20 1 1 A 23 23 ALA H H 83 8.720 7.663 1.057 1
1 219 . 20 1 1 A 23 23 ALA HA H 83 4.570 4.366 0.204 1
1 223 . 20 1 1 A 23 23 ALA C C 83 175.910 176.425 -0.515 1
1 224 . 20 1 1 A 23 23 ALA CA C 83 52.340 52.567 -0.227 1
1 225 . 20 1 1 A 23 23 ALA CB C 83 19.370 19.901 -0.531 1
1 226 . 20 1 1 A 23 23 ALA N N 83 125.180 121.439 3.741 1
1 227 . 20 1 1 A 24 24 SER H H 84 7.970 8.759 -0.789 1
1 228 . 20 1 1 A 24 24 SER HA H 84 5.310 4.998 0.312 1
1 230 . 20 1 1 A 24 24 SER C C 84 174.620 172.742 1.878 1
1 231 . 20 1 1 A 24 24 SER CA C 84 56.550 56.341 0.209 1
1 232 . 20 1 1 A 24 24 SER CB C 84 66.420 65.768 0.652 1
1 233 . 20 1 1 A 24 24 SER N N 84 112.840 111.105 1.735 1
1 234 . 20 1 1 A 25 25 PHE H H 85 9.580 8.868 0.712 1
1 235 . 20 1 1 A 25 25 PHE HA H 85 4.320 4.567 -0.247 1
1 241 . 20 1 1 A 25 25 PHE C C 85 173.430 174.837 -1.407 1
1 242 . 20 1 1 A 25 25 PHE CA C 85 57.780 59.824 -2.044 1
1 243 . 20 1 1 A 25 25 PHE CB C 85 38.780 39.596 -0.816 1
1 247 . 20 1 1 A 25 25 PHE N N 85 125.520 125.692 -0.172 1
1 248 . 20 1 1 A 26 26 SER H H 86 6.780 8.175 -1.395 1
1 249 . 20 1 1 A 26 26 SER HA H 86 4.430 4.833 -0.403 1
1 252 . 20 1 1 A 26 26 SER C C 86 174.200 174.508 -0.308 1
1 253 . 20 1 1 A 26 26 SER CA C 86 56.610 56.238 0.372 1
1 254 . 20 1 1 A 26 26 SER CB C 86 66.010 65.821 0.189 1
1 255 . 20 1 1 A 26 26 SER N N 86 118.860 118.785 0.075 1
1 256 . 20 1 1 A 27 27 LYS H H 87 8.710 8.716 -0.006 1
1 257 . 20 1 1 A 27 27 LYS HA H 87 3.850 3.751 0.099 1
1 263 . 20 1 1 A 27 27 LYS C C 87 178.490 178.732 -0.242 1
1 264 . 20 1 1 A 27 27 LYS CA C 87 59.390 59.238 0.152 1
1 265 . 20 1 1 A 27 27 LYS CB C 87 31.970 32.714 -0.744 1
1 269 . 20 1 1 A 27 27 LYS N N 87 121.790 118.911 2.879 1
1 270 . 20 1 1 A 28 28 ARG H H 88 8.010 7.717 0.293 1
1 271 . 20 1 1 A 28 28 ARG HA H 88 3.990 4.011 -0.021 1
1 277 . 20 1 1 A 28 28 ARG C C 88 178.890 178.523 0.367 1
1 278 . 20 1 1 A 28 28 ARG CA C 88 59.010 58.635 0.375 1
1 279 . 20 1 1 A 28 28 ARG CB C 88 30.120 29.959 0.161 1
1 282 . 20 1 1 A 28 28 ARG N N 88 119.520 119.649 -0.129 1
1 283 . 20 1 1 A 29 29 ILE H H 89 7.350 7.450 -0.100 1
1 284 . 20 1 1 A 29 29 ILE HA H 89 3.680 3.693 -0.013 1
1 294 . 20 1 1 A 29 29 ILE C C 89 177.620 177.871 -0.251 1
1 295 . 20 1 1 A 29 29 ILE CA C 89 63.170 65.023 -1.853 1
1 296 . 20 1 1 A 29 29 ILE CB C 89 36.900 36.624 0.276 1
1 300 . 20 1 1 A 29 29 ILE N N 89 121.980 119.689 2.291 1
1 301 . 20 1 1 A 30 30 GLN H H 90 7.990 7.864 0.126 1
1 302 . 20 1 1 A 30 30 GLN HA H 90 3.630 3.864 -0.234 1
1 308 . 20 1 1 A 30 30 GLN C C 90 178.320 178.051 0.269 1
1 309 . 20 1 1 A 30 30 GLN CA C 90 59.200 59.068 0.132 1
1 310 . 20 1 1 A 30 30 GLN CB C 90 28.700 28.239 0.461 1
1 312 . 20 1 1 A 30 30 GLN N N 90 121.020 121.313 -0.293 1
1 314 . 20 1 1 A 31 31 LYS H H 91 7.990 8.019 -0.029 1
1 315 . 20 1 1 A 31 31 LYS HA H 91 4.090 4.058 0.032 1
1 321 . 20 1 1 A 31 31 LYS C C 91 178.650 178.303 0.347 1
1 322 . 20 1 1 A 31 31 LYS CA C 91 58.720 59.354 -0.634 1
1 323 . 20 1 1 A 31 31 LYS CB C 91 32.220 32.164 0.056 1
1 327 . 20 1 1 A 31 31 LYS N N 91 119.520 120.160 -0.640 1
1 328 . 20 1 1 A 32 32 SER H H 92 7.770 7.840 -0.070 1
1 329 . 20 1 1 A 32 32 SER HA H 92 4.320 4.170 0.150 1
1 332 . 20 1 1 A 32 32 SER C C 92 176.110 177.515 -1.405 1
1 333 . 20 1 1 A 32 32 SER CA C 92 61.260 61.724 -0.464 1
1 334 . 20 1 1 A 32 32 SER CB C 92 63.610 63.116 0.494 1
1 335 . 20 1 1 A 32 32 SER N N 92 116.310 114.039 2.271 1
1 336 . 20 1 1 A 33 33 ILE H H 93 7.960 7.950 0.010 1
1 337 . 20 1 1 A 33 33 ILE HA H 93 3.920 3.739 0.181 1
1 347 . 20 1 1 A 33 33 ILE C C 93 177.480 178.017 -0.537 1
1 348 . 20 1 1 A 33 33 ILE CA C 93 63.610 64.884 -1.274 1
1 349 . 20 1 1 A 33 33 ILE CB C 93 38.330 37.552 0.778 1
1 353 . 20 1 1 A 33 33 ILE N N 93 119.950 121.648 -1.698 1
1 354 . 20 1 1 A 34 34 SER H H 94 7.970 8.183 -0.213 1
1 355 . 20 1 1 A 34 34 SER HA H 94 4.390 4.136 0.254 1
1 357 . 20 1 1 A 34 34 SER C C 94 176.490 177.447 -0.957 1
1 358 . 20 1 1 A 34 34 SER CA C 94 60.560 61.462 -0.902 1
1 359 . 20 1 1 A 34 34 SER CB C 94 63.130 62.918 0.212 1
1 360 . 20 1 1 A 34 34 SER N N 94 117.230 116.983 0.247 1
1 361 . 20 1 1 A 35 35 GLN H H 95 8.220 7.980 0.240 1
1 362 . 20 1 1 A 35 35 GLN HA H 95 4.260 4.065 0.195 1
1 369 . 20 1 1 A 35 35 GLN C C 95 177.050 178.808 -1.758 1
1 370 . 20 1 1 A 35 35 GLN CA C 95 57.360 58.895 -1.535 1
1 371 . 20 1 1 A 35 35 GLN CB C 95 28.900 28.546 0.354 1
1 373 . 20 1 1 A 35 35 GLN N N 95 121.530 120.524 1.006 1
1 375 . 20 1 1 A 36 36 LYS H H 96 7.870 7.733 0.137 1
1 376 . 20 1 1 A 36 36 LYS HA H 96 4.280 4.145 0.135 1
1 383 . 20 1 1 A 36 36 LYS C C 96 176.160 176.248 -0.088 1
1 384 . 20 1 1 A 36 36 LYS CA C 96 56.570 58.572 -2.002 1
1 385 . 20 1 1 A 36 36 LYS CB C 96 33.600 32.688 0.912 1
1 389 . 20 1 1 A 36 36 LYS N N 96 118.550 117.220 1.330 1
1 390 . 20 1 1 A 37 37 LYS H H 97 8.110 8.042 0.068 1
1 391 . 20 1 1 A 37 37 LYS HA H 97 4.110 3.960 0.150 1
1 396 . 20 1 1 A 37 37 LYS C C 97 176.210 175.295 0.915 1
1 397 . 20 1 1 A 37 37 LYS CA C 97 57.230 56.992 0.238 1
1 398 . 20 1 1 A 37 37 LYS CB C 97 30.580 30.860 -0.280 1
1 402 . 20 1 1 A 37 37 LYS N N 97 117.680 116.722 0.958 1
1 403 . 20 1 1 A 38 38 VAL H H 98 7.430 7.856 -0.426 1
1 404 . 20 1 1 A 38 38 VAL HA H 98 4.350 4.986 -0.636 1
1 412 . 20 1 1 A 38 38 VAL C C 98 175.830 174.818 1.012 1
1 413 . 20 1 1 A 38 38 VAL CA C 98 60.580 58.544 2.036 1
1 414 . 20 1 1 A 38 38 VAL CB C 98 33.410 35.419 -2.009 1
1 417 . 20 1 1 A 38 38 VAL N N 98 115.860 114.328 1.532 1
1 418 . 20 1 1 A 39 39 LYS H H 99 8.960 8.334 0.626 1
1 419 . 20 1 1 A 39 39 LYS HA H 99 4.430 4.441 -0.011 1
1 425 . 20 1 1 A 39 39 LYS C C 99 175.700 174.694 1.006 1
1 426 . 20 1 1 A 39 39 LYS CA C 99 55.420 56.111 -0.691 1
1 427 . 20 1 1 A 39 39 LYS CB C 99 30.580 30.618 -0.038 1
1 431 . 20 1 1 A 39 39 LYS N N 99 127.710 120.086 7.624 1
1 432 . 20 1 1 A 40 40 ILE H H 100 7.660 7.604 0.056 1
1 433 . 20 1 1 A 40 40 ILE HA H 100 5.020 5.094 -0.074 1
1 443 . 20 1 1 A 40 40 ILE C C 100 174.520 174.999 -0.479 1
1 444 . 20 1 1 A 40 40 ILE CA C 100 59.370 60.384 -1.014 1
1 445 . 20 1 1 A 40 40 ILE CB C 100 40.650 40.241 0.409 1
1 449 . 20 1 1 A 40 40 ILE N N 100 123.140 123.938 -0.798 1
1 450 . 20 1 1 A 41 41 GLU H H 101 8.490 9.017 -0.527 1
1 451 . 20 1 1 A 41 41 GLU HA H 101 4.620 4.967 -0.347 1
1 456 . 20 1 1 A 41 41 GLU C C 101 173.590 174.665 -1.075 1
1 457 . 20 1 1 A 41 41 GLU CA C 101 53.740 54.382 -0.642 1
1 458 . 20 1 1 A 41 41 GLU CB C 101 34.580 33.471 1.109 1
1 460 . 20 1 1 A 41 41 GLU N N 101 123.460 124.685 -1.225 1
1 461 . 20 1 1 A 42 42 LEU H H 102 8.490 8.272 0.218 1
1 462 . 20 1 1 A 42 42 LEU HA H 102 3.790 4.545 -0.755 1
1 472 . 20 1 1 A 42 42 LEU C C 102 176.440 175.904 0.536 1
1 473 . 20 1 1 A 42 42 LEU CA C 102 55.190 54.185 1.005 1
1 474 . 20 1 1 A 42 42 LEU CB C 102 43.100 43.345 -0.245 1
1 478 . 20 1 1 A 42 42 LEU N N 102 123.470 124.174 -0.704 1
1 479 . 20 1 1 A 43 43 ASP H H 103 8.770 8.037 0.733 1
1 480 . 20 1 1 A 43 43 ASP HA H 103 4.520 4.664 -0.144 1
1 483 . 20 1 1 A 43 43 ASP C C 103 177.600 176.782 0.818 1
1 484 . 20 1 1 A 43 43 ASP CA C 103 53.740 53.450 0.290 1
1 485 . 20 1 1 A 43 43 ASP CB C 103 41.880 40.912 0.968 1
1 486 . 20 1 1 A 43 43 ASP N N 103 127.210 127.054 0.156 1
1 487 . 20 1 1 A 44 44 LYS H H 104 8.910 8.775 0.135 1
1 488 . 20 1 1 A 44 44 LYS HA H 104 3.920 4.153 -0.233 1
1 495 . 20 1 1 A 44 44 LYS C C 104 177.340 178.839 -1.499 1
1 496 . 20 1 1 A 44 44 LYS CA C 104 58.930 58.478 0.452 1
1 497 . 20 1 1 A 44 44 LYS CB C 104 32.000 32.269 -0.269 1
1 501 . 20 1 1 A 44 44 LYS N N 104 129.080 126.683 2.397 1
1 502 . 20 1 1 A 45 45 SER H H 105 8.740 7.681 1.059 1
1 503 . 20 1 1 A 45 45 SER HA H 105 4.370 4.238 0.132 1
1 506 . 20 1 1 A 45 45 SER C C 105 175.040 175.405 -0.365 1
1 507 . 20 1 1 A 45 45 SER CA C 105 59.150 61.403 -2.253 1
1 508 . 20 1 1 A 45 45 SER CB C 105 63.830 62.421 1.409 1
1 509 . 20 1 1 A 45 45 SER N N 105 115.270 112.951 2.319 1
1 510 . 20 1 1 A 46 46 ALA H H 106 7.430 7.139 0.291 1
1 511 . 20 1 1 A 46 46 ALA HA H 106 4.150 4.242 -0.092 1
1 515 . 20 1 1 A 46 46 ALA CA C 106 53.300 52.158 1.142 1
1 516 . 20 1 1 A 46 46 ALA CB C 106 19.190 19.843 -0.653 1
1 517 . 20 1 1 A 46 46 ALA N N 106 125.120 125.196 -0.076 1
1 518 . 20 1 1 A 47 47 ARG HA H 107 4.280 4.369 -0.089 1
1 526 . 20 1 1 A 48 48 HIS HA H 108 4.650 4.556 0.094 1
1 531 . 20 1 1 A 48 48 HIS C C 108 173.160 174.855 -1.695 1
1 532 . 20 1 1 A 48 48 HIS CA C 108 54.990 55.828 -0.838 1
1 533 . 20 1 1 A 48 48 HIS CB C 108 33.400 30.773 2.627 1
1 538 . 20 1 1 A 49 49 LEU H H 109 8.030 8.713 -0.683 1
1 539 . 20 1 1 A 49 49 LEU HA H 109 5.040 4.651 0.389 1
1 549 . 20 1 1 A 49 49 LEU CA C 109 54.480 53.849 0.631 1
1 550 . 20 1 1 A 49 49 LEU CB C 109 43.010 42.371 0.639 1
1 554 . 20 1 1 A 49 49 LEU N N 109 120.130 120.921 -0.791 1
1 555 . 20 1 1 A 50 50 TYR HA H 110 5.020 5.294 -0.274 1
1 560 . 20 1 1 A 50 50 TYR C C 110 176.960 175.585 1.375 1
1 561 . 20 1 1 A 50 50 TYR CA C 110 60.340 56.967 3.373 1
1 562 . 20 1 1 A 50 50 TYR CB C 110 39.210 41.848 -2.638 1
1 565 . 20 1 1 A 51 51 ILE H H 111 8.510 8.443 0.067 1
1 566 . 20 1 1 A 51 51 ILE HA H 111 5.960 5.054 0.906 1
1 576 . 20 1 1 A 51 51 ILE C C 111 177.900 176.112 1.788 1
1 577 . 20 1 1 A 51 51 ILE CA C 111 58.100 59.580 -1.480 1
1 578 . 20 1 1 A 51 51 ILE CB C 111 41.370 40.337 1.033 1
1 582 . 20 1 1 A 51 51 ILE N N 111 115.050 119.599 -4.549 1
1 583 . 20 1 1 A 52 52 CYS H H 112 9.830 8.750 1.080 1
1 584 . 20 1 1 A 52 52 CYS HA H 112 5.000 4.761 0.239 1
1 587 . 20 1 1 A 52 52 CYS C C 112 175.420 175.668 -0.248 1
1 588 . 20 1 1 A 52 52 CYS CA C 112 57.770 58.016 -0.246 1
1 589 . 20 1 1 A 52 52 CYS CB C 112 33.120 29.969 3.151 1
1 590 . 20 1 1 A 52 52 CYS N N 112 125.820 121.815 4.005 1
1 591 . 20 1 1 A 53 53 ASP H H 113 9.000 9.001 -0.001 1
1 592 . 20 1 1 A 53 53 ASP HA H 113 4.510 4.331 0.179 1
1 594 . 20 1 1 A 53 53 ASP C C 113 178.140 178.123 0.017 1
1 595 . 20 1 1 A 53 53 ASP CA C 113 57.330 57.234 0.096 1
1 596 . 20 1 1 A 53 53 ASP CB C 113 39.730 40.375 -0.645 1
1 597 . 20 1 1 A 53 53 ASP N N 113 121.960 120.672 1.288 1
1 598 . 20 1 1 A 54 54 TYR H H 114 8.220 8.122 0.098 1
1 599 . 20 1 1 A 54 54 TYR HA H 114 4.100 4.214 -0.114 1
1 604 . 20 1 1 A 54 54 TYR C C 114 178.410 177.223 1.187 1
1 605 . 20 1 1 A 54 54 TYR CA C 114 61.970 61.657 0.313 1
1 606 . 20 1 1 A 54 54 TYR CB C 114 37.150 38.861 -1.711 1
1 609 . 20 1 1 A 54 54 TYR N N 114 123.510 122.959 0.551 1
1 610 . 20 1 1 A 55 55 HIS H H 115 10.090 7.838 2.252 1
1 611 . 20 1 1 A 55 55 HIS HA H 115 4.040 4.373 -0.333 1
1 616 . 20 1 1 A 55 55 HIS C C 115 177.240 177.501 -0.261 1
1 617 . 20 1 1 A 55 55 HIS CA C 115 63.870 59.742 4.128 1
1 618 . 20 1 1 A 55 55 HIS CB C 115 29.600 30.304 -0.704 1
1 621 . 20 1 1 A 55 55 HIS N N 115 124.830 117.220 7.610 1
1 624 . 20 1 1 A 56 56 LYS H H 116 8.830 8.343 0.487 1
1 625 . 20 1 1 A 56 56 LYS HA H 116 3.720 3.897 -0.177 1
1 633 . 20 1 1 A 56 56 LYS C C 116 178.140 179.040 -0.900 1
1 634 . 20 1 1 A 56 56 LYS CA C 116 60.590 59.994 0.596 1
1 635 . 20 1 1 A 56 56 LYS CB C 116 32.230 32.573 -0.343 1
1 639 . 20 1 1 A 56 56 LYS N N 116 123.340 120.470 2.870 1
1 640 . 20 1 1 A 57 57 ASN H H 117 8.140 8.134 0.006 1
1 641 . 20 1 1 A 57 57 ASN HA H 117 4.340 4.497 -0.157 1
1 646 . 20 1 1 A 57 57 ASN C C 117 177.570 177.441 0.129 1
1 647 . 20 1 1 A 57 57 ASN CA C 117 55.890 56.029 -0.139 1
1 648 . 20 1 1 A 57 57 ASN CB C 117 38.070 38.676 -0.606 1
1 649 . 20 1 1 A 57 57 ASN N N 117 116.920 118.281 -1.361 1
1 651 . 20 1 1 A 58 58 LEU H H 118 7.890 7.673 0.217 1
1 652 . 20 1 1 A 58 58 LEU HA H 118 3.930 3.976 -0.046 1
1 662 . 20 1 1 A 58 58 LEU C C 118 179.400 178.547 0.853 1
1 663 . 20 1 1 A 58 58 LEU CA C 118 58.420 57.798 0.622 1
1 664 . 20 1 1 A 58 58 LEU CB C 118 43.170 41.626 1.544 1
1 668 . 20 1 1 A 58 58 LEU N N 118 123.590 120.085 3.505 1
1 669 . 20 1 1 A 59 59 ILE H H 119 8.360 7.673 0.687 1
1 670 . 20 1 1 A 59 59 ILE HA H 119 3.470 3.971 -0.501 1
1 680 . 20 1 1 A 59 59 ILE C C 119 177.290 178.084 -0.794 1
1 681 . 20 1 1 A 59 59 ILE CA C 119 65.260 63.782 1.478 1
1 682 . 20 1 1 A 59 59 ILE CB C 119 38.330 38.211 0.119 1
1 686 . 20 1 1 A 59 59 ILE N N 119 118.630 118.503 0.127 1
1 687 . 20 1 1 A 60 60 GLN H H 120 7.830 8.291 -0.461 1
1 688 . 20 1 1 A 60 60 GLN HA H 120 4.130 3.965 0.165 1
1 694 . 20 1 1 A 60 60 GLN C C 120 177.240 177.502 -0.262 1
1 695 . 20 1 1 A 60 60 GLN CA C 120 57.750 58.967 -1.217 1
1 696 . 20 1 1 A 60 60 GLN CB C 120 28.910 28.411 0.499 1
1 698 . 20 1 1 A 60 60 GLN N N 120 117.840 120.716 -2.876 1
1 700 . 20 1 1 A 61 61 SER H H 121 7.790 7.595 0.195 1
1 701 . 20 1 1 A 61 61 SER HA H 121 4.300 4.455 -0.155 1
1 703 . 20 1 1 A 61 61 SER C C 121 175.650 174.964 0.686 1
1 704 . 20 1 1 A 61 61 SER CA C 121 60.090 57.559 2.531 1
1 705 . 20 1 1 A 61 61 SER CB C 121 63.570 61.609 1.961 1
1 706 . 20 1 1 A 61 61 SER N N 121 115.460 113.469 1.991 1
1 707 . 20 1 1 A 62 62 VAL H H 122 8.020 7.909 0.111 1
1 708 . 20 1 1 A 62 62 VAL HA H 122 4.020 4.214 -0.194 1
1 716 . 20 1 1 A 62 62 VAL C C 122 176.960 177.004 -0.044 1
1 717 . 20 1 1 A 62 62 VAL CA C 122 63.600 63.687 -0.087 1
1 718 . 20 1 1 A 62 62 VAL CB C 122 32.300 34.045 -1.745 1
1 721 . 20 1 1 A 62 62 VAL N N 122 121.600 122.327 -0.727 1
1 722 . 20 1 1 A 63 63 ARG H H 123 8.130 7.804 0.326 1
1 723 . 20 1 1 A 63 63 ARG HA H 123 4.190 4.399 -0.209 1
1 729 . 20 1 1 A 63 63 ARG C C 123 176.490 175.575 0.915 1
1 730 . 20 1 1 A 63 63 ARG CA C 123 57.070 55.537 1.533 1
1 731 . 20 1 1 A 63 63 ARG CB C 123 30.780 31.511 -0.731 1
1 734 . 20 1 1 A 63 63 ARG N N 123 122.770 119.005 3.765 1
1 735 . 20 1 1 A 64 64 ASN H H 124 8.210 7.549 0.661 1
1 736 . 20 1 1 A 64 64 ASN HA H 124 4.650 4.269 0.381 1
1 741 . 20 1 1 A 64 64 ASN C C 124 175.310 173.727 1.583 1
1 742 . 20 1 1 A 64 64 ASN CA C 124 53.500 54.341 -0.841 1
1 743 . 20 1 1 A 64 64 ASN CB C 124 38.840 36.927 1.913 1
1 744 . 20 1 1 A 64 64 ASN N N 124 119.350 115.188 4.162 1
1 746 . 20 1 1 A 65 65 ARG H H 125 8.100 7.655 0.445 1
1 747 . 20 1 1 A 65 65 ARG HA H 125 4.270 4.550 -0.280 1
1 752 . 20 1 1 A 65 65 ARG C C 125 176.310 175.753 0.557 1
1 753 . 20 1 1 A 65 65 ARG CA C 125 56.580 55.927 0.653 1
1 754 . 20 1 1 A 65 65 ARG CB C 125 30.810 31.055 -0.245 1
1 757 . 20 1 1 A 65 65 ARG N N 125 122.230 119.743 2.487 1
1 758 . 20 1 1 A 66 66 ARG H H 126 8.260 8.734 -0.474 1
1 759 . 20 1 1 A 66 66 ARG HA H 126 4.270 4.535 -0.265 1
1 764 . 20 1 1 A 66 66 ARG C C 126 176.210 175.775 0.435 1
1 765 . 20 1 1 A 66 66 ARG CA C 126 56.190 55.023 1.167 1
1 766 . 20 1 1 A 66 66 ARG CB C 126 30.810 31.480 -0.670 1
1 769 . 20 1 1 A 66 66 ARG N N 126 122.760 127.948 -5.188 1
1 770 . 20 1 1 A 67 67 LYS H H 127 8.270 8.039 0.231 1
1 771 . 20 1 1 A 67 67 LYS HA H 127 4.260 4.067 0.193 1
1 776 . 20 1 1 A 67 67 LYS C C 127 176.450 175.848 0.602 1
1 777 . 20 1 1 A 67 67 LYS CA C 127 56.320 56.776 -0.456 1
1 778 . 20 1 1 A 67 67 LYS CB C 127 33.180 31.164 2.016 1
1 782 . 20 1 1 A 67 67 LYS N N 127 123.620 116.255 7.365 1
1 783 . 20 1 1 A 68 68 ARG H H 128 8.340 7.727 0.613 1
1 784 . 20 1 1 A 68 68 ARG HA H 128 4.270 4.762 -0.492 1
1 788 . 20 1 1 A 68 68 ARG C C 128 176.250 175.154 1.096 1
1 789 . 20 1 1 A 68 68 ARG CA C 128 56.130 54.887 1.243 1
1 790 . 20 1 1 A 68 68 ARG CB C 128 31.060 31.002 0.058 1
1 793 . 20 1 1 A 68 68 ARG N N 128 123.750 117.290 6.460 1
1 794 . 20 1 1 A 69 69 LYS H H 129 8.450 8.439 0.011 1
1 795 . 20 1 1 A 69 69 LYS HA H 129 4.250 4.406 -0.156 1
1 800 . 20 1 1 A 69 69 LYS C C 129 177.010 177.808 -0.798 1
1 801 . 20 1 1 A 69 69 LYS CA C 129 57.000 57.644 -0.644 1
1 802 . 20 1 1 A 69 69 LYS CB C 129 32.940 33.208 -0.268 1
1 806 . 20 1 1 A 69 69 LYS N N 129 124.580 117.511 7.069 1
1 807 . 20 1 1 A 70 70 GLY H H 130 8.500 8.008 0.492 1
1 808 . 20 1 1 A 70 70 GLY HA2 H 130 3.910 4.015 -0.105 1
1 809 . 20 1 1 A 70 70 GLY HA3 H 130 4.010 4.015 -0.005 1
1 810 . 20 1 1 A 70 70 GLY C C 130 173.360 175.020 -1.660 1
1 811 . 20 1 1 A 70 70 GLY CA C 130 45.370 45.835 -0.465 1
1 812 . 20 1 1 A 70 70 GLY N N 130 112.470 108.433 4.037 1
1 6 . 21 1 1 A 2 2 ASN HA H 62 4.610 5.715 -1.105 1
1 10 . 21 1 1 A 2 2 ASN C C 62 174.760 173.979 0.781 1
1 11 . 21 1 1 A 2 2 ASN CA C 62 53.100 51.933 1.167 1
1 12 . 21 1 1 A 2 2 ASN CB C 62 38.790 42.487 -3.697 1
1 14 . 21 1 1 A 3 3 ALA H H 63 8.300 8.629 -0.329 1
1 15 . 21 1 1 A 3 3 ALA HA H 63 4.200 4.758 -0.558 1
1 19 . 21 1 1 A 3 3 ALA C C 63 178.180 177.139 1.041 1
1 20 . 21 1 1 A 3 3 ALA CA C 63 53.070 51.531 1.539 1
1 21 . 21 1 1 A 3 3 ALA CB C 63 18.960 21.248 -2.288 1
1 22 . 21 1 1 A 3 3 ALA N N 63 125.390 123.394 1.996 1
1 23 . 21 1 1 A 4 4 GLY H H 64 8.340 8.427 -0.087 1
1 24 . 21 1 1 A 4 4 GLY HA2 H 64 3.800 3.904 -0.104 1
1 25 . 21 1 1 A 4 4 GLY HA3 H 64 3.860 3.924 -0.064 1
1 26 . 21 1 1 A 4 4 GLY C C 64 174.010 175.101 -1.091 1
1 27 . 21 1 1 A 4 4 GLY CA C 64 45.350 46.275 -0.925 1
1 28 . 21 1 1 A 4 4 GLY N N 64 109.300 110.901 -1.601 1
1 29 . 21 1 1 A 5 5 GLN H H 65 7.950 8.002 -0.052 1
1 30 . 21 1 1 A 5 5 GLN HA H 65 4.330 4.348 -0.018 1
1 35 . 21 1 1 A 5 5 GLN C C 65 175.560 174.680 0.880 1
1 36 . 21 1 1 A 5 5 GLN CA C 65 55.400 56.402 -1.002 1
1 37 . 21 1 1 A 5 5 GLN CB C 65 29.860 30.067 -0.207 1
1 39 . 21 1 1 A 5 5 GLN N N 65 119.540 118.802 0.738 1
1 41 . 21 1 1 A 6 6 LEU H H 66 8.740 8.377 0.363 1
1 42 . 21 1 1 A 6 6 LEU HA H 66 4.610 4.990 -0.380 1
1 52 . 21 1 1 A 6 6 LEU C C 66 175.750 176.082 -0.332 1
1 53 . 21 1 1 A 6 6 LEU CA C 66 54.010 53.393 0.617 1
1 54 . 21 1 1 A 6 6 LEU CB C 66 43.490 44.478 -0.988 1
1 58 . 21 1 1 A 6 6 LEU N N 66 126.120 121.589 4.531 1
1 59 . 21 1 1 A 7 7 CYS H H 67 8.470 9.373 -0.903 1
1 60 . 21 1 1 A 7 7 CYS HA H 67 4.140 4.414 -0.274 1
1 63 . 21 1 1 A 7 7 CYS C C 67 175.320 175.602 -0.282 1
1 64 . 21 1 1 A 7 7 CYS CA C 67 60.780 59.646 1.134 1
1 65 . 21 1 1 A 7 7 CYS CB C 67 32.850 28.864 3.986 1
1 66 . 21 1 1 A 7 7 CYS N N 67 123.170 123.913 -0.743 1
1 67 . 21 1 1 A 8 8 CYS H H 68 8.170 8.706 -0.536 1
1 68 . 21 1 1 A 8 8 CYS HA H 68 4.280 4.842 -0.562 1
1 72 . 21 1 1 A 8 8 CYS C C 68 172.410 174.241 -1.831 1
1 73 . 21 1 1 A 8 8 CYS CA C 68 58.920 58.083 0.837 1
1 74 . 21 1 1 A 8 8 CYS CB C 68 28.920 28.045 0.875 1
1 75 . 21 1 1 A 8 8 CYS N N 68 124.700 122.270 2.430 1
1 76 . 21 1 1 A 9 9 LEU H H 69 8.180 7.195 0.985 1
1 77 . 21 1 1 A 9 9 LEU HA H 69 4.580 4.822 -0.242 1
1 87 . 21 1 1 A 9 9 LEU C C 69 176.770 176.000 0.770 1
1 88 . 21 1 1 A 9 9 LEU CA C 69 54.760 53.360 1.400 1
1 89 . 21 1 1 A 9 9 LEU CB C 69 43.150 45.558 -2.408 1
1 93 . 21 1 1 A 9 9 LEU N N 69 122.650 122.695 -0.045 1
1 94 . 21 1 1 A 10 10 ARG H H 70 8.880 8.207 0.673 1
1 95 . 21 1 1 A 10 10 ARG HA H 70 4.770 4.969 -0.199 1
1 102 . 21 1 1 A 10 10 ARG C C 70 174.900 174.381 0.519 1
1 103 . 21 1 1 A 10 10 ARG CA C 70 54.710 54.366 0.344 1
1 104 . 21 1 1 A 10 10 ARG CB C 70 33.390 31.862 1.528 1
1 107 . 21 1 1 A 10 10 ARG N N 70 117.650 120.900 -3.250 1
1 108 . 21 1 1 A 11 11 GLU H H 71 8.640 8.677 -0.037 1
1 109 . 21 1 1 A 11 11 GLU HA H 71 5.090 4.550 0.540 1
1 113 . 21 1 1 A 11 11 GLU C C 71 176.070 176.085 -0.015 1
1 114 . 21 1 1 A 11 11 GLU CA C 71 54.270 56.462 -2.192 1
1 115 . 21 1 1 A 11 11 GLU CB C 71 32.460 30.730 1.730 1
1 117 . 21 1 1 A 11 11 GLU N N 71 123.910 125.706 -1.796 1
1 118 . 21 1 1 A 12 12 ASP H H 72 9.510 9.553 -0.043 1
1 119 . 21 1 1 A 12 12 ASP HA H 72 4.270 4.508 -0.238 1
1 122 . 21 1 1 A 12 12 ASP C C 72 175.890 176.486 -0.596 1
1 123 . 21 1 1 A 12 12 ASP CA C 72 55.880 55.392 0.488 1
1 124 . 21 1 1 A 12 12 ASP CB C 72 39.910 39.774 0.136 1
1 125 . 21 1 1 A 12 12 ASP N N 72 129.440 128.148 1.292 1
1 126 . 21 1 1 A 13 13 GLY H H 73 8.970 8.659 0.311 1
1 127 . 21 1 1 A 13 13 GLY HA2 H 73 3.520 3.822 -0.302 1
1 128 . 21 1 1 A 13 13 GLY HA3 H 73 4.200 3.827 0.373 1
1 129 . 21 1 1 A 13 13 GLY C C 73 173.960 173.665 0.295 1
1 130 . 21 1 1 A 13 13 GLY CA C 73 45.350 45.488 -0.138 1
1 131 . 21 1 1 A 13 13 GLY N N 73 103.500 103.390 0.110 1
1 132 . 21 1 1 A 14 14 GLU H H 74 7.660 7.808 -0.148 1
1 133 . 21 1 1 A 14 14 GLU HA H 74 4.640 4.649 -0.009 1
1 138 . 21 1 1 A 14 14 GLU C C 74 176.170 175.608 0.562 1
1 139 . 21 1 1 A 14 14 GLU CA C 74 54.460 54.874 -0.414 1
1 140 . 21 1 1 A 14 14 GLU CB C 74 32.050 32.465 -0.415 1
1 142 . 21 1 1 A 14 14 GLU N N 74 121.330 120.715 0.615 1
1 143 . 21 1 1 A 15 15 ARG H H 75 9.000 8.529 0.471 1
1 144 . 21 1 1 A 15 15 ARG HA H 75 4.120 4.229 -0.109 1
1 150 . 21 1 1 A 15 15 ARG C C 75 175.230 176.579 -1.349 1
1 151 . 21 1 1 A 15 15 ARG CA C 75 56.640 56.812 -0.172 1
1 152 . 21 1 1 A 15 15 ARG CB C 75 29.720 31.409 -1.689 1
1 155 . 21 1 1 A 15 15 ARG N N 75 127.990 125.669 2.321 1
1 156 . 21 1 1 A 16 16 CYS H H 76 8.870 8.658 0.212 1
1 157 . 21 1 1 A 16 16 CYS HA H 76 4.170 4.390 -0.220 1
1 160 . 21 1 1 A 16 16 CYS CA C 76 61.840 61.371 0.469 1
1 161 . 21 1 1 A 16 16 CYS CB C 76 31.150 28.199 2.951 1
1 162 . 21 1 1 A 16 16 CYS N N 76 131.840 124.042 7.798 1
1 163 . 21 1 1 A 17 17 GLY H H 77 8.530 8.086 0.444 1
1 164 . 21 1 1 A 17 17 GLY HA2 H 77 3.680 3.979 -0.299 1
1 165 . 21 1 1 A 17 17 GLY HA3 H 77 4.340 3.993 0.347 1
1 166 . 21 1 1 A 17 17 GLY C C 77 174.620 174.389 0.231 1
1 167 . 21 1 1 A 17 17 GLY CA C 77 45.110 45.048 0.062 1
1 168 . 21 1 1 A 17 17 GLY N N 77 111.930 109.021 2.909 1
1 169 . 21 1 1 A 18 18 ARG H H 78 8.960 7.927 1.033 1
1 170 . 21 1 1 A 18 18 ARG HA H 78 4.290 4.253 0.037 1
1 177 . 21 1 1 A 18 18 ARG C C 78 175.270 175.984 -0.714 1
1 178 . 21 1 1 A 18 18 ARG CA C 78 56.350 56.533 -0.183 1
1 179 . 21 1 1 A 18 18 ARG CB C 78 31.310 30.744 0.566 1
1 182 . 21 1 1 A 18 18 ARG N N 78 124.390 122.886 1.504 1
1 183 . 21 1 1 A 19 19 ALA H H 79 8.340 8.281 0.059 1
1 184 . 21 1 1 A 19 19 ALA HA H 79 4.170 4.335 -0.165 1
1 188 . 21 1 1 A 19 19 ALA C C 79 177.620 177.492 0.128 1
1 189 . 21 1 1 A 19 19 ALA CA C 79 52.710 52.491 0.219 1
1 190 . 21 1 1 A 19 19 ALA CB C 79 18.710 19.225 -0.515 1
1 191 . 21 1 1 A 19 19 ALA N N 79 123.880 126.750 -2.870 1
1 192 . 21 1 1 A 20 20 ALA H H 80 8.470 8.949 -0.479 1
1 193 . 21 1 1 A 20 20 ALA HA H 80 3.540 4.938 -1.398 1
1 197 . 21 1 1 A 20 20 ALA C C 80 177.560 177.139 0.421 1
1 198 . 21 1 1 A 20 20 ALA CA C 80 52.840 50.822 2.018 1
1 199 . 21 1 1 A 20 20 ALA CB C 80 19.050 20.923 -1.873 1
1 200 . 21 1 1 A 20 20 ALA N N 80 124.580 122.925 1.655 1
1 201 . 21 1 1 A 21 21 GLY H H 81 8.090 8.019 0.071 1
1 202 . 21 1 1 A 21 21 GLY HA2 H 81 3.800 4.060 -0.260 1
1 203 . 21 1 1 A 21 21 GLY HA3 H 81 4.430 4.094 0.336 1
1 204 . 21 1 1 A 21 21 GLY C C 81 173.170 174.897 -1.727 1
1 205 . 21 1 1 A 21 21 GLY CA C 81 44.390 45.080 -0.690 1
1 206 . 21 1 1 A 21 21 GLY N N 81 114.000 108.317 5.683 1
1 207 . 21 1 1 A 22 22 ASN H H 82 8.690 8.274 0.416 1
1 208 . 21 1 1 A 22 22 ASN HA H 82 4.650 5.015 -0.365 1
1 213 . 21 1 1 A 22 22 ASN C C 82 176.260 175.427 0.833 1
1 214 . 21 1 1 A 22 22 ASN CA C 82 53.580 52.751 0.829 1
1 215 . 21 1 1 A 22 22 ASN CB C 82 39.580 40.851 -1.271 1
1 216 . 21 1 1 A 22 22 ASN N N 82 118.160 122.470 -4.310 1
1 218 . 21 1 1 A 23 23 ALA H H 83 8.720 7.519 1.201 1
1 219 . 21 1 1 A 23 23 ALA HA H 83 4.570 4.403 0.167 1
1 223 . 21 1 1 A 23 23 ALA C C 83 175.910 176.929 -1.019 1
1 224 . 21 1 1 A 23 23 ALA CA C 83 52.340 52.435 -0.095 1
1 225 . 21 1 1 A 23 23 ALA CB C 83 19.370 20.149 -0.779 1
1 226 . 21 1 1 A 23 23 ALA N N 83 125.180 121.906 3.274 1
1 227 . 21 1 1 A 24 24 SER H H 84 7.970 8.786 -0.816 1
1 228 . 21 1 1 A 24 24 SER HA H 84 5.310 5.260 0.050 1
1 230 . 21 1 1 A 24 24 SER C C 84 174.620 172.706 1.914 1
1 231 . 21 1 1 A 24 24 SER CA C 84 56.550 56.555 -0.005 1
1 232 . 21 1 1 A 24 24 SER CB C 84 66.420 65.983 0.437 1
1 233 . 21 1 1 A 24 24 SER N N 84 112.840 112.189 0.651 1
1 234 . 21 1 1 A 25 25 PHE H H 85 9.580 8.927 0.653 1
1 235 . 21 1 1 A 25 25 PHE HA H 85 4.320 4.670 -0.350 1
1 241 . 21 1 1 A 25 25 PHE C C 85 173.430 174.595 -1.165 1
1 242 . 21 1 1 A 25 25 PHE CA C 85 57.780 59.563 -1.783 1
1 243 . 21 1 1 A 25 25 PHE CB C 85 38.780 39.613 -0.833 1
1 247 . 21 1 1 A 25 25 PHE N N 85 125.520 125.972 -0.452 1
1 248 . 21 1 1 A 26 26 SER H H 86 6.780 8.023 -1.243 1
1 249 . 21 1 1 A 26 26 SER HA H 86 4.430 4.655 -0.225 1
1 252 . 21 1 1 A 26 26 SER C C 86 174.200 174.428 -0.228 1
1 253 . 21 1 1 A 26 26 SER CA C 86 56.610 55.442 1.168 1
1 254 . 21 1 1 A 26 26 SER CB C 86 66.010 65.294 0.716 1
1 255 . 21 1 1 A 26 26 SER N N 86 118.860 121.282 -2.422 1
1 256 . 21 1 1 A 27 27 LYS H H 87 8.710 8.700 0.010 1
1 257 . 21 1 1 A 27 27 LYS HA H 87 3.850 3.854 -0.004 1
1 263 . 21 1 1 A 27 27 LYS C C 87 178.490 178.790 -0.300 1
1 264 . 21 1 1 A 27 27 LYS CA C 87 59.390 59.068 0.322 1
1 265 . 21 1 1 A 27 27 LYS CB C 87 31.970 32.130 -0.160 1
1 269 . 21 1 1 A 27 27 LYS N N 87 121.790 122.239 -0.449 1
1 270 . 21 1 1 A 28 28 ARG H H 88 8.010 7.739 0.271 1
1 271 . 21 1 1 A 28 28 ARG HA H 88 3.990 3.991 -0.001 1
1 277 . 21 1 1 A 28 28 ARG C C 88 178.890 178.715 0.175 1
1 278 . 21 1 1 A 28 28 ARG CA C 88 59.010 58.719 0.291 1
1 279 . 21 1 1 A 28 28 ARG CB C 88 30.120 29.769 0.351 1
1 282 . 21 1 1 A 28 28 ARG N N 88 119.520 119.188 0.332 1
1 283 . 21 1 1 A 29 29 ILE H H 89 7.350 7.980 -0.630 1
1 284 . 21 1 1 A 29 29 ILE HA H 89 3.680 3.647 0.033 1
1 294 . 21 1 1 A 29 29 ILE C C 89 177.620 177.806 -0.186 1
1 295 . 21 1 1 A 29 29 ILE CA C 89 63.170 65.186 -2.016 1
1 296 . 21 1 1 A 29 29 ILE CB C 89 36.900 37.540 -0.640 1
1 300 . 21 1 1 A 29 29 ILE N N 89 121.980 119.702 2.278 1
1 301 . 21 1 1 A 30 30 GLN H H 90 7.990 7.941 0.049 1
1 302 . 21 1 1 A 30 30 GLN HA H 90 3.630 4.038 -0.408 1
1 308 . 21 1 1 A 30 30 GLN C C 90 178.320 178.394 -0.074 1
1 309 . 21 1 1 A 30 30 GLN CA C 90 59.200 59.198 0.002 1
1 310 . 21 1 1 A 30 30 GLN CB C 90 28.700 28.132 0.568 1
1 312 . 21 1 1 A 30 30 GLN N N 90 121.020 120.135 0.885 1
1 314 . 21 1 1 A 31 31 LYS H H 91 7.990 7.874 0.116 1
1 315 . 21 1 1 A 31 31 LYS HA H 91 4.090 4.055 0.035 1
1 321 . 21 1 1 A 31 31 LYS C C 91 178.650 178.340 0.310 1
1 322 . 21 1 1 A 31 31 LYS CA C 91 58.720 59.254 -0.534 1
1 323 . 21 1 1 A 31 31 LYS CB C 91 32.220 32.293 -0.073 1
1 327 . 21 1 1 A 31 31 LYS N N 91 119.520 120.352 -0.832 1
1 328 . 21 1 1 A 32 32 SER H H 92 7.770 7.868 -0.098 1
1 329 . 21 1 1 A 32 32 SER HA H 92 4.320 4.125 0.195 1
1 332 . 21 1 1 A 32 32 SER C C 92 176.110 176.807 -0.697 1
1 333 . 21 1 1 A 32 32 SER CA C 92 61.260 61.828 -0.568 1
1 334 . 21 1 1 A 32 32 SER CB C 92 63.610 63.354 0.256 1
1 335 . 21 1 1 A 32 32 SER N N 92 116.310 113.660 2.650 1
1 336 . 21 1 1 A 33 33 ILE H H 93 7.960 7.934 0.026 1
1 337 . 21 1 1 A 33 33 ILE HA H 93 3.920 3.612 0.308 1
1 347 . 21 1 1 A 33 33 ILE C C 93 177.480 177.775 -0.295 1
1 348 . 21 1 1 A 33 33 ILE CA C 93 63.610 65.287 -1.677 1
1 349 . 21 1 1 A 33 33 ILE CB C 93 38.330 37.441 0.889 1
1 353 . 21 1 1 A 33 33 ILE N N 93 119.950 121.875 -1.925 1
1 354 . 21 1 1 A 34 34 SER H H 94 7.970 8.287 -0.317 1
1 355 . 21 1 1 A 34 34 SER HA H 94 4.390 4.053 0.337 1
1 357 . 21 1 1 A 34 34 SER C C 94 176.490 176.790 -0.300 1
1 358 . 21 1 1 A 34 34 SER CA C 94 60.560 62.149 -1.589 1
1 359 . 21 1 1 A 34 34 SER CB C 94 63.130 62.924 0.206 1
1 360 . 21 1 1 A 34 34 SER N N 94 117.230 115.680 1.550 1
1 361 . 21 1 1 A 35 35 GLN H H 95 8.220 7.795 0.425 1
1 362 . 21 1 1 A 35 35 GLN HA H 95 4.260 4.107 0.153 1
1 369 . 21 1 1 A 35 35 GLN C C 95 177.050 178.666 -1.616 1
1 370 . 21 1 1 A 35 35 GLN CA C 95 57.360 58.566 -1.206 1
1 371 . 21 1 1 A 35 35 GLN CB C 95 28.900 28.160 0.740 1
1 373 . 21 1 1 A 35 35 GLN N N 95 121.530 120.992 0.538 1
1 375 . 21 1 1 A 36 36 LYS H H 96 7.870 7.796 0.074 1
1 376 . 21 1 1 A 36 36 LYS HA H 96 4.280 4.157 0.123 1
1 383 . 21 1 1 A 36 36 LYS C C 96 176.160 176.410 -0.250 1
1 384 . 21 1 1 A 36 36 LYS CA C 96 56.570 58.447 -1.877 1
1 385 . 21 1 1 A 36 36 LYS CB C 96 33.600 32.971 0.629 1
1 389 . 21 1 1 A 36 36 LYS N N 96 118.550 117.494 1.056 1
1 390 . 21 1 1 A 37 37 LYS H H 97 8.110 8.956 -0.846 1
1 391 . 21 1 1 A 37 37 LYS HA H 97 4.110 4.045 0.065 1
1 396 . 21 1 1 A 37 37 LYS C C 97 176.210 175.673 0.537 1
1 397 . 21 1 1 A 37 37 LYS CA C 97 57.230 56.854 0.376 1
1 398 . 21 1 1 A 37 37 LYS CB C 97 30.580 30.649 -0.069 1
1 402 . 21 1 1 A 37 37 LYS N N 97 117.680 116.959 0.721 1
1 403 . 21 1 1 A 38 38 VAL H H 98 7.430 7.831 -0.401 1
1 404 . 21 1 1 A 38 38 VAL HA H 98 4.350 4.880 -0.530 1
1 412 . 21 1 1 A 38 38 VAL C C 98 175.830 174.448 1.382 1
1 413 . 21 1 1 A 38 38 VAL CA C 98 60.580 58.891 1.689 1
1 414 . 21 1 1 A 38 38 VAL CB C 98 33.410 36.169 -2.759 1
1 417 . 21 1 1 A 38 38 VAL N N 98 115.860 115.696 0.164 1
1 418 . 21 1 1 A 39 39 LYS H H 99 8.960 8.240 0.720 1
1 419 . 21 1 1 A 39 39 LYS HA H 99 4.430 4.396 0.034 1
1 425 . 21 1 1 A 39 39 LYS C C 99 175.700 174.397 1.303 1
1 426 . 21 1 1 A 39 39 LYS CA C 99 55.420 56.184 -0.764 1
1 427 . 21 1 1 A 39 39 LYS CB C 99 30.580 30.629 -0.049 1
1 431 . 21 1 1 A 39 39 LYS N N 99 127.710 121.217 6.493 1
1 432 . 21 1 1 A 40 40 ILE H H 100 7.660 8.081 -0.421 1
1 433 . 21 1 1 A 40 40 ILE HA H 100 5.020 4.904 0.116 1
1 443 . 21 1 1 A 40 40 ILE C C 100 174.520 174.833 -0.313 1
1 444 . 21 1 1 A 40 40 ILE CA C 100 59.370 60.502 -1.132 1
1 445 . 21 1 1 A 40 40 ILE CB C 100 40.650 40.295 0.355 1
1 449 . 21 1 1 A 40 40 ILE N N 100 123.140 124.352 -1.212 1
1 450 . 21 1 1 A 41 41 GLU H H 101 8.490 9.028 -0.538 1
1 451 . 21 1 1 A 41 41 GLU HA H 101 4.620 4.972 -0.352 1
1 456 . 21 1 1 A 41 41 GLU C C 101 173.590 174.558 -0.968 1
1 457 . 21 1 1 A 41 41 GLU CA C 101 53.740 54.455 -0.715 1
1 458 . 21 1 1 A 41 41 GLU CB C 101 34.580 33.657 0.923 1
1 460 . 21 1 1 A 41 41 GLU N N 101 123.460 124.584 -1.124 1
1 461 . 21 1 1 A 42 42 LEU H H 102 8.490 8.220 0.270 1
1 462 . 21 1 1 A 42 42 LEU HA H 102 3.790 4.157 -0.367 1
1 472 . 21 1 1 A 42 42 LEU C C 102 176.440 175.620 0.820 1
1 473 . 21 1 1 A 42 42 LEU CA C 102 55.190 55.378 -0.188 1
1 474 . 21 1 1 A 42 42 LEU CB C 102 43.100 42.516 0.584 1
1 478 . 21 1 1 A 42 42 LEU N N 102 123.470 124.998 -1.528 1
1 479 . 21 1 1 A 43 43 ASP H H 103 8.770 8.438 0.332 1
1 480 . 21 1 1 A 43 43 ASP HA H 103 4.520 4.756 -0.236 1
1 483 . 21 1 1 A 43 43 ASP C C 103 177.600 176.635 0.965 1
1 484 . 21 1 1 A 43 43 ASP CA C 103 53.740 53.882 -0.142 1
1 485 . 21 1 1 A 43 43 ASP CB C 103 41.880 42.616 -0.736 1
1 486 . 21 1 1 A 43 43 ASP N N 103 127.210 125.271 1.939 1
1 487 . 21 1 1 A 44 44 LYS H H 104 8.910 9.192 -0.282 1
1 488 . 21 1 1 A 44 44 LYS HA H 104 3.920 4.163 -0.243 1
1 495 . 21 1 1 A 44 44 LYS C C 104 177.340 178.536 -1.196 1
1 496 . 21 1 1 A 44 44 LYS CA C 104 58.930 58.610 0.320 1
1 497 . 21 1 1 A 44 44 LYS CB C 104 32.000 32.129 -0.129 1
1 501 . 21 1 1 A 44 44 LYS N N 104 129.080 127.428 1.652 1
1 502 . 21 1 1 A 45 45 SER H H 105 8.740 7.775 0.965 1
1 503 . 21 1 1 A 45 45 SER HA H 105 4.370 4.180 0.190 1
1 506 . 21 1 1 A 45 45 SER C C 105 175.040 175.486 -0.446 1
1 507 . 21 1 1 A 45 45 SER CA C 105 59.150 61.399 -2.249 1
1 508 . 21 1 1 A 45 45 SER CB C 105 63.830 62.438 1.392 1
1 509 . 21 1 1 A 45 45 SER N N 105 115.270 112.862 2.408 1
1 510 . 21 1 1 A 46 46 ALA H H 106 7.430 7.359 0.071 1
1 511 . 21 1 1 A 46 46 ALA HA H 106 4.150 4.161 -0.011 1
1 515 . 21 1 1 A 46 46 ALA CA C 106 53.300 52.555 0.745 1
1 516 . 21 1 1 A 46 46 ALA CB C 106 19.190 19.807 -0.617 1
1 517 . 21 1 1 A 46 46 ALA N N 106 125.120 124.463 0.657 1
1 518 . 21 1 1 A 47 47 ARG HA H 107 4.280 4.425 -0.145 1
1 526 . 21 1 1 A 48 48 HIS HA H 108 4.650 4.567 0.083 1
1 531 . 21 1 1 A 48 48 HIS C C 108 173.160 174.184 -1.024 1
1 532 . 21 1 1 A 48 48 HIS CA C 108 54.990 55.437 -0.447 1
1 533 . 21 1 1 A 48 48 HIS CB C 108 33.400 31.335 2.065 1
1 538 . 21 1 1 A 49 49 LEU H H 109 8.030 8.842 -0.812 1
1 539 . 21 1 1 A 49 49 LEU HA H 109 5.040 4.847 0.193 1
1 549 . 21 1 1 A 49 49 LEU CA C 109 54.480 54.208 0.272 1
1 550 . 21 1 1 A 49 49 LEU CB C 109 43.010 43.295 -0.285 1
1 554 . 21 1 1 A 49 49 LEU N N 109 120.130 120.130 0.000 1
1 555 . 21 1 1 A 50 50 TYR HA H 110 5.020 5.380 -0.360 1
1 560 . 21 1 1 A 50 50 TYR C C 110 176.960 175.837 1.123 1
1 561 . 21 1 1 A 50 50 TYR CA C 110 60.340 56.660 3.680 1
1 562 . 21 1 1 A 50 50 TYR CB C 110 39.210 40.535 -1.325 1
1 565 . 21 1 1 A 51 51 ILE H H 111 8.510 8.878 -0.368 1
1 566 . 21 1 1 A 51 51 ILE HA H 111 5.960 4.598 1.362 1
1 576 . 21 1 1 A 51 51 ILE C C 111 177.900 176.147 1.753 1
1 577 . 21 1 1 A 51 51 ILE CA C 111 58.100 60.126 -2.026 1
1 578 . 21 1 1 A 51 51 ILE CB C 111 41.370 39.850 1.520 1
1 582 . 21 1 1 A 51 51 ILE N N 111 115.050 121.889 -6.839 1
1 583 . 21 1 1 A 52 52 CYS H H 112 9.830 8.799 1.031 1
1 584 . 21 1 1 A 52 52 CYS HA H 112 5.000 4.986 0.014 1
1 587 . 21 1 1 A 52 52 CYS C C 112 175.420 175.634 -0.214 1
1 588 . 21 1 1 A 52 52 CYS CA C 112 57.770 57.416 0.354 1
1 589 . 21 1 1 A 52 52 CYS CB C 112 33.120 30.031 3.089 1
1 590 . 21 1 1 A 52 52 CYS N N 112 125.820 121.944 3.876 1
1 591 . 21 1 1 A 53 53 ASP H H 113 9.000 8.993 0.007 1
1 592 . 21 1 1 A 53 53 ASP HA H 113 4.510 4.331 0.179 1
1 594 . 21 1 1 A 53 53 ASP C C 113 178.140 178.093 0.047 1
1 595 . 21 1 1 A 53 53 ASP CA C 113 57.330 57.715 -0.385 1
1 596 . 21 1 1 A 53 53 ASP CB C 113 39.730 40.330 -0.600 1
1 597 . 21 1 1 A 53 53 ASP N N 113 121.960 121.436 0.524 1
1 598 . 21 1 1 A 54 54 TYR H H 114 8.220 8.108 0.112 1
1 599 . 21 1 1 A 54 54 TYR HA H 114 4.100 4.155 -0.055 1
1 604 . 21 1 1 A 54 54 TYR C C 114 178.410 177.224 1.186 1
1 605 . 21 1 1 A 54 54 TYR CA C 114 61.970 61.781 0.189 1
1 606 . 21 1 1 A 54 54 TYR CB C 114 37.150 38.956 -1.806 1
1 609 . 21 1 1 A 54 54 TYR N N 114 123.510 121.887 1.623 1
1 610 . 21 1 1 A 55 55 HIS H H 115 10.090 7.756 2.334 1
1 611 . 21 1 1 A 55 55 HIS HA H 115 4.040 4.109 -0.069 1
1 616 . 21 1 1 A 55 55 HIS C C 115 177.240 177.436 -0.196 1
1 617 . 21 1 1 A 55 55 HIS CA C 115 63.870 59.684 4.186 1
1 618 . 21 1 1 A 55 55 HIS CB C 115 29.600 29.614 -0.014 1
1 621 . 21 1 1 A 55 55 HIS N N 115 124.830 116.861 7.969 1
1 624 . 21 1 1 A 56 56 LYS H H 116 8.830 8.532 0.298 1
1 625 . 21 1 1 A 56 56 LYS HA H 116 3.720 3.887 -0.167 1
1 633 . 21 1 1 A 56 56 LYS C C 116 178.140 178.928 -0.788 1
1 634 . 21 1 1 A 56 56 LYS CA C 116 60.590 60.001 0.589 1
1 635 . 21 1 1 A 56 56 LYS CB C 116 32.230 32.476 -0.246 1
1 639 . 21 1 1 A 56 56 LYS N N 116 123.340 120.543 2.797 1
1 640 . 21 1 1 A 57 57 ASN H H 117 8.140 8.259 -0.119 1
1 641 . 21 1 1 A 57 57 ASN HA H 117 4.340 4.498 -0.158 1
1 646 . 21 1 1 A 57 57 ASN C C 117 177.570 177.386 0.184 1
1 647 . 21 1 1 A 57 57 ASN CA C 117 55.890 56.211 -0.321 1
1 648 . 21 1 1 A 57 57 ASN CB C 117 38.070 38.642 -0.572 1
1 649 . 21 1 1 A 57 57 ASN N N 117 116.920 118.268 -1.348 1
1 651 . 21 1 1 A 58 58 LEU H H 118 7.890 7.664 0.226 1
1 652 . 21 1 1 A 58 58 LEU HA H 118 3.930 3.963 -0.033 1
1 662 . 21 1 1 A 58 58 LEU C C 118 179.400 178.831 0.569 1
1 663 . 21 1 1 A 58 58 LEU CA C 118 58.420 57.993 0.427 1
1 664 . 21 1 1 A 58 58 LEU CB C 118 43.170 41.683 1.487 1
1 668 . 21 1 1 A 58 58 LEU N N 118 123.590 120.141 3.449 1
1 669 . 21 1 1 A 59 59 ILE H H 119 8.360 7.633 0.727 1
1 670 . 21 1 1 A 59 59 ILE HA H 119 3.470 3.943 -0.473 1
1 680 . 21 1 1 A 59 59 ILE C C 119 177.290 178.202 -0.912 1
1 681 . 21 1 1 A 59 59 ILE CA C 119 65.260 63.706 1.554 1
1 682 . 21 1 1 A 59 59 ILE CB C 119 38.330 37.624 0.706 1
1 686 . 21 1 1 A 59 59 ILE N N 119 118.630 118.886 -0.256 1
1 687 . 21 1 1 A 60 60 GLN H H 120 7.830 8.313 -0.483 1
1 688 . 21 1 1 A 60 60 GLN HA H 120 4.130 4.040 0.090 1
1 694 . 21 1 1 A 60 60 GLN C C 120 177.240 177.173 0.067 1
1 695 . 21 1 1 A 60 60 GLN CA C 120 57.750 59.221 -1.471 1
1 696 . 21 1 1 A 60 60 GLN CB C 120 28.910 28.906 0.004 1
1 698 . 21 1 1 A 60 60 GLN N N 120 117.840 121.085 -3.245 1
1 700 . 21 1 1 A 61 61 SER H H 121 7.790 7.805 -0.015 1
1 701 . 21 1 1 A 61 61 SER HA H 121 4.300 4.562 -0.262 1
1 703 . 21 1 1 A 61 61 SER C C 121 175.650 174.588 1.062 1
1 704 . 21 1 1 A 61 61 SER CA C 121 60.090 57.230 2.860 1
1 705 . 21 1 1 A 61 61 SER CB C 121 63.570 61.624 1.946 1
1 706 . 21 1 1 A 61 61 SER N N 121 115.460 113.833 1.627 1
1 707 . 21 1 1 A 62 62 VAL H H 122 8.020 8.016 0.004 1
1 708 . 21 1 1 A 62 62 VAL HA H 122 4.020 4.271 -0.251 1
1 716 . 21 1 1 A 62 62 VAL C C 122 176.960 177.151 -0.191 1
1 717 . 21 1 1 A 62 62 VAL CA C 122 63.600 63.462 0.138 1
1 718 . 21 1 1 A 62 62 VAL CB C 122 32.300 34.549 -2.249 1
1 721 . 21 1 1 A 62 62 VAL N N 122 121.600 123.505 -1.905 1
1 722 . 21 1 1 A 63 63 ARG H H 123 8.130 7.789 0.341 1
1 723 . 21 1 1 A 63 63 ARG HA H 123 4.190 4.524 -0.334 1
1 729 . 21 1 1 A 63 63 ARG C C 123 176.490 175.671 0.819 1
1 730 . 21 1 1 A 63 63 ARG CA C 123 57.070 54.973 2.097 1
1 731 . 21 1 1 A 63 63 ARG CB C 123 30.780 30.285 0.495 1
1 734 . 21 1 1 A 63 63 ARG N N 123 122.770 118.162 4.608 1
1 735 . 21 1 1 A 64 64 ASN H H 124 8.210 7.667 0.543 1
1 736 . 21 1 1 A 64 64 ASN HA H 124 4.650 4.576 0.074 1
1 741 . 21 1 1 A 64 64 ASN C C 124 175.310 175.245 0.065 1
1 742 . 21 1 1 A 64 64 ASN CA C 124 53.500 54.115 -0.615 1
1 743 . 21 1 1 A 64 64 ASN CB C 124 38.840 38.414 0.426 1
1 744 . 21 1 1 A 64 64 ASN N N 124 119.350 118.305 1.045 1
1 746 . 21 1 1 A 65 65 ARG H H 125 8.100 8.908 -0.808 1
1 747 . 21 1 1 A 65 65 ARG HA H 125 4.270 4.431 -0.161 1
1 752 . 21 1 1 A 65 65 ARG C C 125 176.310 177.005 -0.695 1
1 753 . 21 1 1 A 65 65 ARG CA C 125 56.580 57.061 -0.481 1
1 754 . 21 1 1 A 65 65 ARG CB C 125 30.810 31.264 -0.454 1
1 757 . 21 1 1 A 65 65 ARG N N 125 122.230 124.008 -1.778 1
1 758 . 21 1 1 A 66 66 ARG H H 126 8.260 7.887 0.373 1
1 759 . 21 1 1 A 66 66 ARG HA H 126 4.270 4.533 -0.263 1
1 764 . 21 1 1 A 66 66 ARG C C 126 176.210 176.617 -0.407 1
1 765 . 21 1 1 A 66 66 ARG CA C 126 56.190 55.372 0.818 1
1 766 . 21 1 1 A 66 66 ARG CB C 126 30.810 31.502 -0.692 1
1 769 . 21 1 1 A 66 66 ARG N N 126 122.760 117.996 4.764 1
1 770 . 21 1 1 A 67 67 LYS H H 127 8.270 7.801 0.469 1
1 771 . 21 1 1 A 67 67 LYS HA H 127 4.260 4.312 -0.052 1
1 776 . 21 1 1 A 67 67 LYS C C 127 176.450 176.920 -0.470 1
1 777 . 21 1 1 A 67 67 LYS CA C 127 56.320 56.348 -0.028 1
1 778 . 21 1 1 A 67 67 LYS CB C 127 33.180 32.974 0.206 1
1 782 . 21 1 1 A 67 67 LYS N N 127 123.620 118.499 5.121 1
1 783 . 21 1 1 A 68 68 ARG H H 128 8.340 7.941 0.399 1
1 784 . 21 1 1 A 68 68 ARG HA H 128 4.270 4.119 0.151 1
1 788 . 21 1 1 A 68 68 ARG C C 128 176.250 176.003 0.247 1
1 789 . 21 1 1 A 68 68 ARG CA C 128 56.130 58.489 -2.359 1
1 790 . 21 1 1 A 68 68 ARG CB C 128 31.060 29.029 2.031 1
1 793 . 21 1 1 A 68 68 ARG N N 128 123.750 118.258 5.492 1
1 794 . 21 1 1 A 69 69 LYS H H 129 8.450 8.651 -0.201 1
1 795 . 21 1 1 A 69 69 LYS HA H 129 4.250 4.671 -0.421 1
1 800 . 21 1 1 A 69 69 LYS C C 129 177.010 176.656 0.354 1
1 801 . 21 1 1 A 69 69 LYS CA C 129 57.000 56.589 0.411 1
1 802 . 21 1 1 A 69 69 LYS CB C 129 32.940 35.013 -2.073 1
1 806 . 21 1 1 A 69 69 LYS N N 129 124.580 122.521 2.059 1
1 807 . 21 1 1 A 70 70 GLY H H 130 8.500 7.582 0.918 1
1 808 . 21 1 1 A 70 70 GLY HA2 H 130 3.910 4.020 -0.110 1
1 809 . 21 1 1 A 70 70 GLY HA3 H 130 4.010 4.020 -0.010 1
1 810 . 21 1 1 A 70 70 GLY C C 130 173.360 174.536 -1.176 1
1 811 . 21 1 1 A 70 70 GLY CA C 130 45.370 45.945 -0.575 1
1 812 . 21 1 1 A 70 70 GLY N N 130 112.470 105.927 6.543 1
1 6 . 22 1 1 A 2 2 ASN HA H 62 4.610 5.046 -0.436 1
1 10 . 22 1 1 A 2 2 ASN C C 62 174.760 173.786 0.974 1
1 11 . 22 1 1 A 2 2 ASN CA C 62 53.100 52.939 0.161 1
1 12 . 22 1 1 A 2 2 ASN CB C 62 38.790 40.820 -2.030 1
1 14 . 22 1 1 A 3 3 ALA H H 63 8.300 8.586 -0.286 1
1 15 . 22 1 1 A 3 3 ALA HA H 63 4.200 4.472 -0.272 1
1 19 . 22 1 1 A 3 3 ALA C C 63 178.180 175.930 2.250 1
1 20 . 22 1 1 A 3 3 ALA CA C 63 53.070 51.137 1.933 1
1 21 . 22 1 1 A 3 3 ALA CB C 63 18.960 19.127 -0.167 1
1 22 . 22 1 1 A 3 3 ALA N N 63 125.390 126.557 -1.167 1
1 23 . 22 1 1 A 4 4 GLY H H 64 8.340 7.682 0.658 1
1 24 . 22 1 1 A 4 4 GLY HA2 H 64 3.800 4.062 -0.262 1
1 25 . 22 1 1 A 4 4 GLY HA3 H 64 3.860 4.065 -0.205 1
1 26 . 22 1 1 A 4 4 GLY C C 64 174.010 173.171 0.839 1
1 27 . 22 1 1 A 4 4 GLY CA C 64 45.350 45.630 -0.280 1
1 28 . 22 1 1 A 4 4 GLY N N 64 109.300 106.733 2.567 1
1 29 . 22 1 1 A 5 5 GLN H H 65 7.950 8.116 -0.166 1
1 30 . 22 1 1 A 5 5 GLN HA H 65 4.330 4.703 -0.373 1
1 35 . 22 1 1 A 5 5 GLN C C 65 175.560 174.629 0.931 1
1 36 . 22 1 1 A 5 5 GLN CA C 65 55.400 54.602 0.798 1
1 37 . 22 1 1 A 5 5 GLN CB C 65 29.860 31.037 -1.177 1
1 39 . 22 1 1 A 5 5 GLN N N 65 119.540 118.458 1.082 1
1 41 . 22 1 1 A 6 6 LEU H H 66 8.740 8.696 0.044 1
1 42 . 22 1 1 A 6 6 LEU HA H 66 4.610 5.017 -0.407 1
1 52 . 22 1 1 A 6 6 LEU C C 66 175.750 175.827 -0.077 1
1 53 . 22 1 1 A 6 6 LEU CA C 66 54.010 53.123 0.887 1
1 54 . 22 1 1 A 6 6 LEU CB C 66 43.490 45.653 -2.163 1
1 58 . 22 1 1 A 6 6 LEU N N 66 126.120 120.602 5.518 1
1 59 . 22 1 1 A 7 7 CYS H H 67 8.470 9.107 -0.637 1
1 60 . 22 1 1 A 7 7 CYS HA H 67 4.140 4.371 -0.231 1
1 63 . 22 1 1 A 7 7 CYS C C 67 175.320 175.882 -0.562 1
1 64 . 22 1 1 A 7 7 CYS CA C 67 60.780 59.892 0.888 1
1 65 . 22 1 1 A 7 7 CYS CB C 67 32.850 28.494 4.356 1
1 66 . 22 1 1 A 7 7 CYS N N 67 123.170 123.797 -0.627 1
1 67 . 22 1 1 A 8 8 CYS H H 68 8.170 8.807 -0.637 1
1 68 . 22 1 1 A 8 8 CYS HA H 68 4.280 4.775 -0.495 1
1 72 . 22 1 1 A 8 8 CYS C C 68 172.410 173.305 -0.895 1
1 73 . 22 1 1 A 8 8 CYS CA C 68 58.920 58.230 0.690 1
1 74 . 22 1 1 A 8 8 CYS CB C 68 28.920 27.936 0.984 1
1 75 . 22 1 1 A 8 8 CYS N N 68 124.700 123.836 0.864 1
1 76 . 22 1 1 A 9 9 LEU H H 69 8.180 7.174 1.006 1
1 77 . 22 1 1 A 9 9 LEU HA H 69 4.580 4.623 -0.043 1
1 87 . 22 1 1 A 9 9 LEU C C 69 176.770 176.077 0.693 1
1 88 . 22 1 1 A 9 9 LEU CA C 69 54.760 52.956 1.804 1
1 89 . 22 1 1 A 9 9 LEU CB C 69 43.150 45.224 -2.074 1
1 93 . 22 1 1 A 9 9 LEU N N 69 122.650 122.490 0.160 1
1 94 . 22 1 1 A 10 10 ARG H H 70 8.880 8.467 0.413 1
1 95 . 22 1 1 A 10 10 ARG HA H 70 4.770 5.116 -0.346 1
1 102 . 22 1 1 A 10 10 ARG C C 70 174.900 174.037 0.863 1
1 103 . 22 1 1 A 10 10 ARG CA C 70 54.710 54.446 0.264 1
1 104 . 22 1 1 A 10 10 ARG CB C 70 33.390 31.971 1.419 1
1 107 . 22 1 1 A 10 10 ARG N N 70 117.650 121.162 -3.512 1
1 108 . 22 1 1 A 11 11 GLU H H 71 8.640 8.816 -0.176 1
1 109 . 22 1 1 A 11 11 GLU HA H 71 5.090 4.604 0.486 1
1 113 . 22 1 1 A 11 11 GLU C C 71 176.070 175.538 0.532 1
1 114 . 22 1 1 A 11 11 GLU CA C 71 54.270 55.098 -0.828 1
1 115 . 22 1 1 A 11 11 GLU CB C 71 32.460 30.730 1.730 1
1 117 . 22 1 1 A 11 11 GLU N N 71 123.910 126.118 -2.208 1
1 118 . 22 1 1 A 12 12 ASP H H 72 9.510 9.449 0.061 1
1 119 . 22 1 1 A 12 12 ASP HA H 72 4.270 4.387 -0.117 1
1 122 . 22 1 1 A 12 12 ASP C C 72 175.890 176.152 -0.262 1
1 123 . 22 1 1 A 12 12 ASP CA C 72 55.880 55.332 0.548 1
1 124 . 22 1 1 A 12 12 ASP CB C 72 39.910 39.528 0.382 1
1 125 . 22 1 1 A 12 12 ASP N N 72 129.440 128.686 0.754 1
1 126 . 22 1 1 A 13 13 GLY H H 73 8.970 8.633 0.337 1
1 127 . 22 1 1 A 13 13 GLY HA2 H 73 3.520 3.840 -0.320 1
1 128 . 22 1 1 A 13 13 GLY HA3 H 73 4.200 3.844 0.356 1
1 129 . 22 1 1 A 13 13 GLY C C 73 173.960 173.806 0.154 1
1 130 . 22 1 1 A 13 13 GLY CA C 73 45.350 45.355 -0.005 1
1 131 . 22 1 1 A 13 13 GLY N N 73 103.500 103.662 -0.162 1
1 132 . 22 1 1 A 14 14 GLU H H 74 7.660 7.817 -0.157 1
1 133 . 22 1 1 A 14 14 GLU HA H 74 4.640 4.464 0.176 1
1 138 . 22 1 1 A 14 14 GLU C C 74 176.170 175.909 0.261 1
1 139 . 22 1 1 A 14 14 GLU CA C 74 54.460 55.507 -1.047 1
1 140 . 22 1 1 A 14 14 GLU CB C 74 32.050 30.687 1.363 1
1 142 . 22 1 1 A 14 14 GLU N N 74 121.330 120.532 0.798 1
1 143 . 22 1 1 A 15 15 ARG H H 75 9.000 9.007 -0.007 1
1 144 . 22 1 1 A 15 15 ARG HA H 75 4.120 4.512 -0.392 1
1 150 . 22 1 1 A 15 15 ARG C C 75 175.230 175.834 -0.604 1
1 151 . 22 1 1 A 15 15 ARG CA C 75 56.640 55.188 1.452 1
1 152 . 22 1 1 A 15 15 ARG CB C 75 29.720 28.355 1.365 1
1 155 . 22 1 1 A 15 15 ARG N N 75 127.990 125.577 2.413 1
1 156 . 22 1 1 A 16 16 CYS H H 76 8.870 9.011 -0.141 1
1 157 . 22 1 1 A 16 16 CYS HA H 76 4.170 4.306 -0.136 1
1 160 . 22 1 1 A 16 16 CYS CA C 76 61.840 61.403 0.437 1
1 161 . 22 1 1 A 16 16 CYS CB C 76 31.150 27.912 3.238 1
1 162 . 22 1 1 A 16 16 CYS N N 76 131.840 120.111 11.729 1
1 163 . 22 1 1 A 17 17 GLY H H 77 8.530 7.928 0.602 1
1 164 . 22 1 1 A 17 17 GLY HA2 H 77 3.680 3.989 -0.309 1
1 165 . 22 1 1 A 17 17 GLY HA3 H 77 4.340 4.007 0.333 1
1 166 . 22 1 1 A 17 17 GLY C C 77 174.620 174.324 0.296 1
1 167 . 22 1 1 A 17 17 GLY CA C 77 45.110 45.179 -0.069 1
1 168 . 22 1 1 A 17 17 GLY N N 77 111.930 108.343 3.587 1
1 169 . 22 1 1 A 18 18 ARG H H 78 8.960 7.842 1.118 1
1 170 . 22 1 1 A 18 18 ARG HA H 78 4.290 4.286 0.004 1
1 177 . 22 1 1 A 18 18 ARG C C 78 175.270 175.818 -0.548 1
1 178 . 22 1 1 A 18 18 ARG CA C 78 56.350 56.078 0.272 1
1 179 . 22 1 1 A 18 18 ARG CB C 78 31.310 31.306 0.004 1
1 182 . 22 1 1 A 18 18 ARG N N 78 124.390 122.713 1.677 1
1 183 . 22 1 1 A 19 19 ALA H H 79 8.340 8.281 0.059 1
1 184 . 22 1 1 A 19 19 ALA HA H 79 4.170 4.583 -0.413 1
1 188 . 22 1 1 A 19 19 ALA C C 79 177.620 177.374 0.246 1
1 189 . 22 1 1 A 19 19 ALA CA C 79 52.710 52.144 0.566 1
1 190 . 22 1 1 A 19 19 ALA CB C 79 18.710 18.965 -0.255 1
1 191 . 22 1 1 A 19 19 ALA N N 79 123.880 126.732 -2.852 1
1 192 . 22 1 1 A 20 20 ALA H H 80 8.470 8.160 0.310 1
1 193 . 22 1 1 A 20 20 ALA HA H 80 3.540 4.361 -0.821 1
1 197 . 22 1 1 A 20 20 ALA C C 80 177.560 177.473 0.087 1
1 198 . 22 1 1 A 20 20 ALA CA C 80 52.840 52.266 0.574 1
1 199 . 22 1 1 A 20 20 ALA CB C 80 19.050 19.211 -0.161 1
1 200 . 22 1 1 A 20 20 ALA N N 80 124.580 123.335 1.245 1
1 201 . 22 1 1 A 21 21 GLY H H 81 8.090 8.205 -0.115 1
1 202 . 22 1 1 A 21 21 GLY HA2 H 81 3.800 4.143 -0.343 1
1 203 . 22 1 1 A 21 21 GLY HA3 H 81 4.430 4.166 0.264 1
1 204 . 22 1 1 A 21 21 GLY C C 81 173.170 174.233 -1.063 1
1 205 . 22 1 1 A 21 21 GLY CA C 81 44.390 44.790 -0.400 1
1 206 . 22 1 1 A 21 21 GLY N N 81 114.000 108.763 5.237 1
1 207 . 22 1 1 A 22 22 ASN H H 82 8.690 8.674 0.016 1
1 208 . 22 1 1 A 22 22 ASN HA H 82 4.650 5.127 -0.477 1
1 213 . 22 1 1 A 22 22 ASN C C 82 176.260 175.144 1.116 1
1 214 . 22 1 1 A 22 22 ASN CA C 82 53.580 52.638 0.942 1
1 215 . 22 1 1 A 22 22 ASN CB C 82 39.580 40.063 -0.483 1
1 216 . 22 1 1 A 22 22 ASN N N 82 118.160 122.971 -4.811 1
1 218 . 22 1 1 A 23 23 ALA H H 83 8.720 7.389 1.331 1
1 219 . 22 1 1 A 23 23 ALA HA H 83 4.570 4.517 0.053 1
1 223 . 22 1 1 A 23 23 ALA C C 83 175.910 176.121 -0.211 1
1 224 . 22 1 1 A 23 23 ALA CA C 83 52.340 51.601 0.739 1
1 225 . 22 1 1 A 23 23 ALA CB C 83 19.370 21.316 -1.946 1
1 226 . 22 1 1 A 23 23 ALA N N 83 125.180 121.591 3.589 1
1 227 . 22 1 1 A 24 24 SER H H 84 7.970 8.521 -0.551 1
1 228 . 22 1 1 A 24 24 SER HA H 84 5.310 5.476 -0.166 1
1 230 . 22 1 1 A 24 24 SER C C 84 174.620 172.461 2.159 1
1 231 . 22 1 1 A 24 24 SER CA C 84 56.550 57.196 -0.646 1
1 232 . 22 1 1 A 24 24 SER CB C 84 66.420 66.305 0.115 1
1 233 . 22 1 1 A 24 24 SER N N 84 112.840 115.428 -2.588 1
1 234 . 22 1 1 A 25 25 PHE H H 85 9.580 8.568 1.012 1
1 235 . 22 1 1 A 25 25 PHE HA H 85 4.320 4.756 -0.436 1
1 241 . 22 1 1 A 25 25 PHE C C 85 173.430 175.023 -1.593 1
1 242 . 22 1 1 A 25 25 PHE CA C 85 57.780 57.140 0.640 1
1 243 . 22 1 1 A 25 25 PHE CB C 85 38.780 39.120 -0.340 1
1 247 . 22 1 1 A 25 25 PHE N N 85 125.520 126.679 -1.159 1
1 248 . 22 1 1 A 26 26 SER H H 86 6.780 8.123 -1.343 1
1 249 . 22 1 1 A 26 26 SER HA H 86 4.430 4.781 -0.351 1
1 252 . 22 1 1 A 26 26 SER C C 86 174.200 174.893 -0.693 1
1 253 . 22 1 1 A 26 26 SER CA C 86 56.610 56.091 0.519 1
1 254 . 22 1 1 A 26 26 SER CB C 86 66.010 64.727 1.283 1
1 255 . 22 1 1 A 26 26 SER N N 86 118.860 119.226 -0.366 1
1 256 . 22 1 1 A 27 27 LYS H H 87 8.710 8.908 -0.198 1
1 257 . 22 1 1 A 27 27 LYS HA H 87 3.850 3.831 0.019 1
1 263 . 22 1 1 A 27 27 LYS C C 87 178.490 178.879 -0.389 1
1 264 . 22 1 1 A 27 27 LYS CA C 87 59.390 59.059 0.331 1
1 265 . 22 1 1 A 27 27 LYS CB C 87 31.970 32.140 -0.170 1
1 269 . 22 1 1 A 27 27 LYS N N 87 121.790 118.535 3.255 1
1 270 . 22 1 1 A 28 28 ARG H H 88 8.010 7.754 0.256 1
1 271 . 22 1 1 A 28 28 ARG HA H 88 3.990 4.008 -0.018 1
1 277 . 22 1 1 A 28 28 ARG C C 88 178.890 178.611 0.279 1
1 278 . 22 1 1 A 28 28 ARG CA C 88 59.010 58.670 0.340 1
1 279 . 22 1 1 A 28 28 ARG CB C 88 30.120 29.826 0.294 1
1 282 . 22 1 1 A 28 28 ARG N N 88 119.520 119.259 0.261 1
1 283 . 22 1 1 A 29 29 ILE H H 89 7.350 7.881 -0.531 1
1 284 . 22 1 1 A 29 29 ILE HA H 89 3.680 3.672 0.008 1
1 294 . 22 1 1 A 29 29 ILE C C 89 177.620 177.708 -0.088 1
1 295 . 22 1 1 A 29 29 ILE CA C 89 63.170 65.367 -2.197 1
1 296 . 22 1 1 A 29 29 ILE CB C 89 36.900 36.898 0.002 1
1 300 . 22 1 1 A 29 29 ILE N N 89 121.980 119.961 2.019 1
1 301 . 22 1 1 A 30 30 GLN H H 90 7.990 7.478 0.512 1
1 302 . 22 1 1 A 30 30 GLN HA H 90 3.630 3.973 -0.343 1
1 308 . 22 1 1 A 30 30 GLN C C 90 178.320 178.374 -0.054 1
1 309 . 22 1 1 A 30 30 GLN CA C 90 59.200 59.132 0.068 1
1 310 . 22 1 1 A 30 30 GLN CB C 90 28.700 28.241 0.459 1
1 312 . 22 1 1 A 30 30 GLN N N 90 121.020 120.545 0.475 1
1 314 . 22 1 1 A 31 31 LYS H H 91 7.990 8.138 -0.148 1
1 315 . 22 1 1 A 31 31 LYS HA H 91 4.090 4.054 0.036 1
1 321 . 22 1 1 A 31 31 LYS C C 91 178.650 178.388 0.262 1
1 322 . 22 1 1 A 31 31 LYS CA C 91 58.720 59.174 -0.454 1
1 323 . 22 1 1 A 31 31 LYS CB C 91 32.220 32.053 0.167 1
1 327 . 22 1 1 A 31 31 LYS N N 91 119.520 120.259 -0.739 1
1 328 . 22 1 1 A 32 32 SER H H 92 7.770 7.707 0.063 1
1 329 . 22 1 1 A 32 32 SER HA H 92 4.320 4.168 0.152 1
1 332 . 22 1 1 A 32 32 SER C C 92 176.110 177.504 -1.394 1
1 333 . 22 1 1 A 32 32 SER CA C 92 61.260 61.749 -0.489 1
1 334 . 22 1 1 A 32 32 SER CB C 92 63.610 63.199 0.411 1
1 335 . 22 1 1 A 32 32 SER N N 92 116.310 114.317 1.993 1
1 336 . 22 1 1 A 33 33 ILE H H 93 7.960 7.942 0.018 1
1 337 . 22 1 1 A 33 33 ILE HA H 93 3.920 3.550 0.370 1
1 347 . 22 1 1 A 33 33 ILE C C 93 177.480 177.846 -0.366 1
1 348 . 22 1 1 A 33 33 ILE CA C 93 63.610 65.271 -1.661 1
1 349 . 22 1 1 A 33 33 ILE CB C 93 38.330 37.648 0.682 1
1 353 . 22 1 1 A 33 33 ILE N N 93 119.950 121.739 -1.789 1
1 354 . 22 1 1 A 34 34 SER H H 94 7.970 8.117 -0.147 1
1 355 . 22 1 1 A 34 34 SER HA H 94 4.390 4.168 0.222 1
1 357 . 22 1 1 A 34 34 SER C C 94 176.490 175.960 0.530 1
1 358 . 22 1 1 A 34 34 SER CA C 94 60.560 62.234 -1.674 1
1 359 . 22 1 1 A 34 34 SER CB C 94 63.130 62.885 0.245 1
1 360 . 22 1 1 A 34 34 SER N N 94 117.230 115.668 1.562 1
1 361 . 22 1 1 A 35 35 GLN H H 95 8.220 7.728 0.492 1
1 362 . 22 1 1 A 35 35 GLN HA H 95 4.260 4.114 0.146 1
1 369 . 22 1 1 A 35 35 GLN C C 95 177.050 178.421 -1.371 1
1 370 . 22 1 1 A 35 35 GLN CA C 95 57.360 58.630 -1.270 1
1 371 . 22 1 1 A 35 35 GLN CB C 95 28.900 28.603 0.297 1
1 373 . 22 1 1 A 35 35 GLN N N 95 121.530 120.967 0.563 1
1 375 . 22 1 1 A 36 36 LYS H H 96 7.870 7.808 0.062 1
1 376 . 22 1 1 A 36 36 LYS HA H 96 4.280 4.172 0.108 1
1 383 . 22 1 1 A 36 36 LYS C C 96 176.160 176.313 -0.153 1
1 384 . 22 1 1 A 36 36 LYS CA C 96 56.570 58.758 -2.188 1
1 385 . 22 1 1 A 36 36 LYS CB C 96 33.600 32.870 0.730 1
1 389 . 22 1 1 A 36 36 LYS N N 96 118.550 116.616 1.934 1
1 390 . 22 1 1 A 37 37 LYS H H 97 8.110 8.646 -0.536 1
1 391 . 22 1 1 A 37 37 LYS HA H 97 4.110 3.896 0.214 1
1 396 . 22 1 1 A 37 37 LYS C C 97 176.210 175.294 0.916 1
1 397 . 22 1 1 A 37 37 LYS CA C 97 57.230 57.015 0.215 1
1 398 . 22 1 1 A 37 37 LYS CB C 97 30.580 30.248 0.332 1
1 402 . 22 1 1 A 37 37 LYS N N 97 117.680 116.569 1.111 1
1 403 . 22 1 1 A 38 38 VAL H H 98 7.430 7.830 -0.400 1
1 404 . 22 1 1 A 38 38 VAL HA H 98 4.350 4.854 -0.504 1
1 412 . 22 1 1 A 38 38 VAL C C 98 175.830 175.408 0.422 1
1 413 . 22 1 1 A 38 38 VAL CA C 98 60.580 58.745 1.835 1
1 414 . 22 1 1 A 38 38 VAL CB C 98 33.410 35.394 -1.984 1
1 417 . 22 1 1 A 38 38 VAL N N 98 115.860 114.875 0.985 1
1 418 . 22 1 1 A 39 39 LYS H H 99 8.960 8.581 0.379 1
1 419 . 22 1 1 A 39 39 LYS HA H 99 4.430 4.467 -0.037 1
1 425 . 22 1 1 A 39 39 LYS C C 99 175.700 174.811 0.889 1
1 426 . 22 1 1 A 39 39 LYS CA C 99 55.420 55.975 -0.555 1
1 427 . 22 1 1 A 39 39 LYS CB C 99 30.580 31.318 -0.738 1
1 431 . 22 1 1 A 39 39 LYS N N 99 127.710 118.712 8.998 1
1 432 . 22 1 1 A 40 40 ILE H H 100 7.660 7.378 0.282 1
1 433 . 22 1 1 A 40 40 ILE HA H 100 5.020 4.973 0.047 1
1 443 . 22 1 1 A 40 40 ILE C C 100 174.520 174.816 -0.296 1
1 444 . 22 1 1 A 40 40 ILE CA C 100 59.370 60.105 -0.735 1
1 445 . 22 1 1 A 40 40 ILE CB C 100 40.650 39.610 1.040 1
1 449 . 22 1 1 A 40 40 ILE N N 100 123.140 121.494 1.646 1
1 450 . 22 1 1 A 41 41 GLU H H 101 8.490 8.677 -0.187 1
1 451 . 22 1 1 A 41 41 GLU HA H 101 4.620 4.936 -0.316 1
1 456 . 22 1 1 A 41 41 GLU C C 101 173.590 173.998 -0.408 1
1 457 . 22 1 1 A 41 41 GLU CA C 101 53.740 54.268 -0.528 1
1 458 . 22 1 1 A 41 41 GLU CB C 101 34.580 33.592 0.988 1
1 460 . 22 1 1 A 41 41 GLU N N 101 123.460 124.723 -1.263 1
1 461 . 22 1 1 A 42 42 LEU H H 102 8.490 8.656 -0.166 1
1 462 . 22 1 1 A 42 42 LEU HA H 102 3.790 4.789 -0.999 1
1 472 . 22 1 1 A 42 42 LEU C C 102 176.440 174.695 1.745 1
1 473 . 22 1 1 A 42 42 LEU CA C 102 55.190 53.532 1.658 1
1 474 . 22 1 1 A 42 42 LEU CB C 102 43.100 44.319 -1.219 1
1 478 . 22 1 1 A 42 42 LEU N N 102 123.470 123.226 0.244 1
1 479 . 22 1 1 A 43 43 ASP H H 103 8.770 8.577 0.193 1
1 480 . 22 1 1 A 43 43 ASP HA H 103 4.520 4.651 -0.131 1
1 483 . 22 1 1 A 43 43 ASP C C 103 177.600 176.862 0.738 1
1 484 . 22 1 1 A 43 43 ASP CA C 103 53.740 53.019 0.721 1
1 485 . 22 1 1 A 43 43 ASP CB C 103 41.880 41.326 0.554 1
1 486 . 22 1 1 A 43 43 ASP N N 103 127.210 126.435 0.775 1
1 487 . 22 1 1 A 44 44 LYS H H 104 8.910 8.954 -0.044 1
1 488 . 22 1 1 A 44 44 LYS HA H 104 3.920 4.020 -0.100 1
1 495 . 22 1 1 A 44 44 LYS C C 104 177.340 178.511 -1.171 1
1 496 . 22 1 1 A 44 44 LYS CA C 104 58.930 59.160 -0.230 1
1 497 . 22 1 1 A 44 44 LYS CB C 104 32.000 31.942 0.058 1
1 501 . 22 1 1 A 44 44 LYS N N 104 129.080 126.900 2.180 1
1 502 . 22 1 1 A 45 45 SER H H 105 8.740 8.008 0.732 1
1 503 . 22 1 1 A 45 45 SER HA H 105 4.370 4.169 0.201 1
1 506 . 22 1 1 A 45 45 SER C C 105 175.040 175.496 -0.456 1
1 507 . 22 1 1 A 45 45 SER CA C 105 59.150 61.427 -2.277 1
1 508 . 22 1 1 A 45 45 SER CB C 105 63.830 62.264 1.566 1
1 509 . 22 1 1 A 45 45 SER N N 105 115.270 112.469 2.801 1
1 510 . 22 1 1 A 46 46 ALA H H 106 7.430 6.972 0.458 1
1 511 . 22 1 1 A 46 46 ALA HA H 106 4.150 4.174 -0.024 1
1 515 . 22 1 1 A 46 46 ALA CA C 106 53.300 52.557 0.743 1
1 516 . 22 1 1 A 46 46 ALA CB C 106 19.190 19.659 -0.469 1
1 517 . 22 1 1 A 46 46 ALA N N 106 125.120 124.845 0.275 1
1 518 . 22 1 1 A 47 47 ARG HA H 107 4.280 4.518 -0.238 1
1 526 . 22 1 1 A 48 48 HIS HA H 108 4.650 4.630 0.020 1
1 531 . 22 1 1 A 48 48 HIS C C 108 173.160 175.329 -2.169 1
1 532 . 22 1 1 A 48 48 HIS CA C 108 54.990 55.761 -0.771 1
1 533 . 22 1 1 A 48 48 HIS CB C 108 33.400 30.926 2.474 1
1 538 . 22 1 1 A 49 49 LEU H H 109 8.030 9.042 -1.012 1
1 539 . 22 1 1 A 49 49 LEU HA H 109 5.040 4.609 0.431 1
1 549 . 22 1 1 A 49 49 LEU CA C 109 54.480 53.800 0.680 1
1 550 . 22 1 1 A 49 49 LEU CB C 109 43.010 40.839 2.171 1
1 554 . 22 1 1 A 49 49 LEU N N 109 120.130 121.944 -1.814 1
1 555 . 22 1 1 A 50 50 TYR HA H 110 5.020 5.536 -0.516 1
1 560 . 22 1 1 A 50 50 TYR C C 110 176.960 175.533 1.427 1
1 561 . 22 1 1 A 50 50 TYR CA C 110 60.340 56.556 3.784 1
1 562 . 22 1 1 A 50 50 TYR CB C 110 39.210 41.308 -2.098 1
1 565 . 22 1 1 A 51 51 ILE H H 111 8.510 8.620 -0.110 1
1 566 . 22 1 1 A 51 51 ILE HA H 111 5.960 5.025 0.935 1
1 576 . 22 1 1 A 51 51 ILE C C 111 177.900 175.866 2.034 1
1 577 . 22 1 1 A 51 51 ILE CA C 111 58.100 59.213 -1.113 1
1 578 . 22 1 1 A 51 51 ILE CB C 111 41.370 40.773 0.597 1
1 582 . 22 1 1 A 51 51 ILE N N 111 115.050 118.780 -3.730 1
1 583 . 22 1 1 A 52 52 CYS H H 112 9.830 8.817 1.013 1
1 584 . 22 1 1 A 52 52 CYS HA H 112 5.000 4.687 0.313 1
1 587 . 22 1 1 A 52 52 CYS C C 112 175.420 175.397 0.023 1
1 588 . 22 1 1 A 52 52 CYS CA C 112 57.770 58.453 -0.683 1
1 589 . 22 1 1 A 52 52 CYS CB C 112 33.120 29.535 3.585 1
1 590 . 22 1 1 A 52 52 CYS N N 112 125.820 121.767 4.053 1
1 591 . 22 1 1 A 53 53 ASP H H 113 9.000 9.063 -0.063 1
1 592 . 22 1 1 A 53 53 ASP HA H 113 4.510 4.320 0.190 1
1 594 . 22 1 1 A 53 53 ASP C C 113 178.140 177.505 0.635 1
1 595 . 22 1 1 A 53 53 ASP CA C 113 57.330 57.370 -0.040 1
1 596 . 22 1 1 A 53 53 ASP CB C 113 39.730 40.465 -0.735 1
1 597 . 22 1 1 A 53 53 ASP N N 113 121.960 122.413 -0.453 1
1 598 . 22 1 1 A 54 54 TYR H H 114 8.220 8.066 0.154 1
1 599 . 22 1 1 A 54 54 TYR HA H 114 4.100 4.205 -0.105 1
1 604 . 22 1 1 A 54 54 TYR C C 114 178.410 177.240 1.170 1
1 605 . 22 1 1 A 54 54 TYR CA C 114 61.970 61.649 0.321 1
1 606 . 22 1 1 A 54 54 TYR CB C 114 37.150 39.257 -2.107 1
1 609 . 22 1 1 A 54 54 TYR N N 114 123.510 120.906 2.604 1
1 610 . 22 1 1 A 55 55 HIS H H 115 10.090 7.831 2.259 1
1 611 . 22 1 1 A 55 55 HIS HA H 115 4.040 4.388 -0.348 1
1 616 . 22 1 1 A 55 55 HIS C C 115 177.240 177.648 -0.408 1
1 617 . 22 1 1 A 55 55 HIS CA C 115 63.870 59.868 4.002 1
1 618 . 22 1 1 A 55 55 HIS CB C 115 29.600 29.653 -0.053 1
1 621 . 22 1 1 A 55 55 HIS N N 115 124.830 117.079 7.751 1
1 624 . 22 1 1 A 56 56 LYS H H 116 8.830 8.357 0.473 1
1 625 . 22 1 1 A 56 56 LYS HA H 116 3.720 3.898 -0.178 1
1 633 . 22 1 1 A 56 56 LYS C C 116 178.140 178.892 -0.752 1
1 634 . 22 1 1 A 56 56 LYS CA C 116 60.590 60.077 0.513 1
1 635 . 22 1 1 A 56 56 LYS CB C 116 32.230 32.365 -0.135 1
1 639 . 22 1 1 A 56 56 LYS N N 116 123.340 120.622 2.718 1
1 640 . 22 1 1 A 57 57 ASN H H 117 8.140 8.204 -0.064 1
1 641 . 22 1 1 A 57 57 ASN HA H 117 4.340 4.502 -0.162 1
1 646 . 22 1 1 A 57 57 ASN C C 117 177.570 177.457 0.113 1
1 647 . 22 1 1 A 57 57 ASN CA C 117 55.890 56.281 -0.391 1
1 648 . 22 1 1 A 57 57 ASN CB C 117 38.070 38.858 -0.788 1
1 649 . 22 1 1 A 57 57 ASN N N 117 116.920 118.340 -1.420 1
1 651 . 22 1 1 A 58 58 LEU H H 118 7.890 7.610 0.280 1
1 652 . 22 1 1 A 58 58 LEU HA H 118 3.930 3.980 -0.050 1
1 662 . 22 1 1 A 58 58 LEU C C 118 179.400 178.850 0.550 1
1 663 . 22 1 1 A 58 58 LEU CA C 118 58.420 57.964 0.456 1
1 664 . 22 1 1 A 58 58 LEU CB C 118 43.170 41.694 1.476 1
1 668 . 22 1 1 A 58 58 LEU N N 118 123.590 119.990 3.600 1
1 669 . 22 1 1 A 59 59 ILE H H 119 8.360 8.137 0.223 1
1 670 . 22 1 1 A 59 59 ILE HA H 119 3.470 3.807 -0.337 1
1 680 . 22 1 1 A 59 59 ILE C C 119 177.290 178.379 -1.089 1
1 681 . 22 1 1 A 59 59 ILE CA C 119 65.260 64.400 0.860 1
1 682 . 22 1 1 A 59 59 ILE CB C 119 38.330 37.753 0.577 1
1 686 . 22 1 1 A 59 59 ILE N N 119 118.630 119.444 -0.814 1
1 687 . 22 1 1 A 60 60 GLN H H 120 7.830 8.182 -0.352 1
1 688 . 22 1 1 A 60 60 GLN HA H 120 4.130 4.017 0.113 1
1 694 . 22 1 1 A 60 60 GLN C C 120 177.240 177.685 -0.445 1
1 695 . 22 1 1 A 60 60 GLN CA C 120 57.750 58.952 -1.202 1
1 696 . 22 1 1 A 60 60 GLN CB C 120 28.910 28.258 0.652 1
1 698 . 22 1 1 A 60 60 GLN N N 120 117.840 120.563 -2.723 1
1 700 . 22 1 1 A 61 61 SER H H 121 7.790 7.715 0.075 1
1 701 . 22 1 1 A 61 61 SER HA H 121 4.300 4.720 -0.420 1
1 703 . 22 1 1 A 61 61 SER C C 121 175.650 174.830 0.820 1
1 704 . 22 1 1 A 61 61 SER CA C 121 60.090 58.404 1.686 1
1 705 . 22 1 1 A 61 61 SER CB C 121 63.570 63.599 -0.029 1
1 706 . 22 1 1 A 61 61 SER N N 121 115.460 113.323 2.137 1
1 707 . 22 1 1 A 62 62 VAL H H 122 8.020 7.399 0.621 1
1 708 . 22 1 1 A 62 62 VAL HA H 122 4.020 4.223 -0.203 1
1 716 . 22 1 1 A 62 62 VAL C C 122 176.960 177.115 -0.155 1
1 717 . 22 1 1 A 62 62 VAL CA C 122 63.600 63.623 -0.023 1
1 718 . 22 1 1 A 62 62 VAL CB C 122 32.300 33.735 -1.435 1
1 721 . 22 1 1 A 62 62 VAL N N 122 121.600 120.842 0.758 1
1 722 . 22 1 1 A 63 63 ARG H H 123 8.130 8.027 0.103 1
1 723 . 22 1 1 A 63 63 ARG HA H 123 4.190 4.267 -0.077 1
1 729 . 22 1 1 A 63 63 ARG C C 123 176.490 176.316 0.174 1
1 730 . 22 1 1 A 63 63 ARG CA C 123 57.070 57.051 0.019 1
1 731 . 22 1 1 A 63 63 ARG CB C 123 30.780 30.582 0.198 1
1 734 . 22 1 1 A 63 63 ARG N N 123 122.770 119.936 2.834 1
1 735 . 22 1 1 A 64 64 ASN H H 124 8.210 7.705 0.505 1
1 736 . 22 1 1 A 64 64 ASN HA H 124 4.650 5.018 -0.368 1
1 741 . 22 1 1 A 64 64 ASN C C 124 175.310 174.477 0.833 1
1 742 . 22 1 1 A 64 64 ASN CA C 124 53.500 52.058 1.442 1
1 743 . 22 1 1 A 64 64 ASN CB C 124 38.840 38.529 0.311 1
1 744 . 22 1 1 A 64 64 ASN N N 124 119.350 119.701 -0.351 1
1 746 . 22 1 1 A 65 65 ARG H H 125 8.100 8.530 -0.430 1
1 747 . 22 1 1 A 65 65 ARG HA H 125 4.270 4.632 -0.362 1
1 752 . 22 1 1 A 65 65 ARG C C 125 176.310 176.310 0.000 1
1 753 . 22 1 1 A 65 65 ARG CA C 125 56.580 55.358 1.222 1
1 754 . 22 1 1 A 65 65 ARG CB C 125 30.810 30.942 -0.132 1
1 757 . 22 1 1 A 65 65 ARG N N 125 122.230 125.928 -3.698 1
1 758 . 22 1 1 A 66 66 ARG H H 126 8.260 7.956 0.304 1
1 759 . 22 1 1 A 66 66 ARG HA H 126 4.270 4.624 -0.354 1
1 764 . 22 1 1 A 66 66 ARG C C 126 176.210 175.956 0.254 1
1 765 . 22 1 1 A 66 66 ARG CA C 126 56.190 56.344 -0.154 1
1 766 . 22 1 1 A 66 66 ARG CB C 126 30.810 32.231 -1.421 1
1 769 . 22 1 1 A 66 66 ARG N N 126 122.760 120.029 2.731 1
1 770 . 22 1 1 A 67 67 LYS H H 127 8.270 7.924 0.346 1
1 771 . 22 1 1 A 67 67 LYS HA H 127 4.260 3.962 0.298 1
1 776 . 22 1 1 A 67 67 LYS C C 127 176.450 175.934 0.516 1
1 777 . 22 1 1 A 67 67 LYS CA C 127 56.320 57.341 -1.021 1
1 778 . 22 1 1 A 67 67 LYS CB C 127 33.180 31.206 1.974 1
1 782 . 22 1 1 A 67 67 LYS N N 127 123.620 119.167 4.453 1
1 783 . 22 1 1 A 68 68 ARG H H 128 8.340 8.057 0.283 1
1 784 . 22 1 1 A 68 68 ARG HA H 128 4.270 4.580 -0.310 1
1 788 . 22 1 1 A 68 68 ARG C C 128 176.250 176.097 0.153 1
1 789 . 22 1 1 A 68 68 ARG CA C 128 56.130 57.221 -1.091 1
1 790 . 22 1 1 A 68 68 ARG CB C 128 31.060 33.360 -2.300 1
1 793 . 22 1 1 A 68 68 ARG N N 128 123.750 127.213 -3.463 1
1 794 . 22 1 1 A 69 69 LYS H H 129 8.450 8.160 0.290 1
1 795 . 22 1 1 A 69 69 LYS HA H 129 4.250 3.952 0.298 1
1 800 . 22 1 1 A 69 69 LYS C C 129 177.010 175.558 1.452 1
1 801 . 22 1 1 A 69 69 LYS CA C 129 57.000 58.571 -1.571 1
1 802 . 22 1 1 A 69 69 LYS CB C 129 32.940 31.043 1.897 1
1 806 . 22 1 1 A 69 69 LYS N N 129 124.580 118.612 5.968 1
1 807 . 22 1 1 A 70 70 GLY H H 130 8.500 7.632 0.868 1
1 808 . 22 1 1 A 70 70 GLY HA2 H 130 3.910 4.063 -0.153 1
1 809 . 22 1 1 A 70 70 GLY HA3 H 130 4.010 4.064 -0.054 1
1 810 . 22 1 1 A 70 70 GLY C C 130 173.360 173.313 0.047 1
1 811 . 22 1 1 A 70 70 GLY CA C 130 45.370 44.552 0.818 1
1 812 . 22 1 1 A 70 70 GLY N N 130 112.470 104.838 7.632 1
1 6 . 23 1 1 A 2 2 ASN HA H 62 4.610 4.834 -0.224 1
1 10 . 23 1 1 A 2 2 ASN C C 62 174.760 175.040 -0.280 1
1 11 . 23 1 1 A 2 2 ASN CA C 62 53.100 52.352 0.748 1
1 12 . 23 1 1 A 2 2 ASN CB C 62 38.790 38.372 0.418 1
1 14 . 23 1 1 A 3 3 ALA H H 63 8.300 8.028 0.272 1
1 15 . 23 1 1 A 3 3 ALA HA H 63 4.200 4.408 -0.208 1
1 19 . 23 1 1 A 3 3 ALA C C 63 178.180 178.041 0.139 1
1 20 . 23 1 1 A 3 3 ALA CA C 63 53.070 53.039 0.031 1
1 21 . 23 1 1 A 3 3 ALA CB C 63 18.960 21.711 -2.751 1
1 22 . 23 1 1 A 3 3 ALA N N 63 125.390 125.876 -0.486 1
1 23 . 23 1 1 A 4 4 GLY H H 64 8.340 7.993 0.347 1
1 24 . 23 1 1 A 4 4 GLY HA2 H 64 3.800 3.842 -0.042 1
1 25 . 23 1 1 A 4 4 GLY HA3 H 64 3.860 3.845 0.015 1
1 26 . 23 1 1 A 4 4 GLY C C 64 174.010 173.867 0.143 1
1 27 . 23 1 1 A 4 4 GLY CA C 64 45.350 46.793 -1.443 1
1 28 . 23 1 1 A 4 4 GLY N N 64 109.300 105.914 3.386 1
1 29 . 23 1 1 A 5 5 GLN H H 65 7.950 7.671 0.279 1
1 30 . 23 1 1 A 5 5 GLN HA H 65 4.330 4.950 -0.620 1
1 35 . 23 1 1 A 5 5 GLN C C 65 175.560 174.365 1.195 1
1 36 . 23 1 1 A 5 5 GLN CA C 65 55.400 53.913 1.487 1
1 37 . 23 1 1 A 5 5 GLN CB C 65 29.860 32.790 -2.930 1
1 39 . 23 1 1 A 5 5 GLN N N 65 119.540 117.599 1.941 1
1 41 . 23 1 1 A 6 6 LEU H H 66 8.740 9.048 -0.308 1
1 42 . 23 1 1 A 6 6 LEU HA H 66 4.610 5.059 -0.449 1
1 52 . 23 1 1 A 6 6 LEU C C 66 175.750 175.974 -0.224 1
1 53 . 23 1 1 A 6 6 LEU CA C 66 54.010 53.432 0.578 1
1 54 . 23 1 1 A 6 6 LEU CB C 66 43.490 44.560 -1.070 1
1 58 . 23 1 1 A 6 6 LEU N N 66 126.120 121.830 4.290 1
1 59 . 23 1 1 A 7 7 CYS H H 67 8.470 8.599 -0.129 1
1 60 . 23 1 1 A 7 7 CYS HA H 67 4.140 4.514 -0.374 1
1 63 . 23 1 1 A 7 7 CYS C C 67 175.320 175.754 -0.434 1
1 64 . 23 1 1 A 7 7 CYS CA C 67 60.780 59.678 1.102 1
1 65 . 23 1 1 A 7 7 CYS CB C 67 32.850 28.399 4.451 1
1 66 . 23 1 1 A 7 7 CYS N N 67 123.170 121.729 1.441 1
1 67 . 23 1 1 A 8 8 CYS H H 68 8.170 8.786 -0.616 1
1 68 . 23 1 1 A 8 8 CYS HA H 68 4.280 4.764 -0.484 1
1 72 . 23 1 1 A 8 8 CYS C C 68 172.410 172.974 -0.564 1
1 73 . 23 1 1 A 8 8 CYS CA C 68 58.920 58.482 0.438 1
1 74 . 23 1 1 A 8 8 CYS CB C 68 28.920 28.616 0.304 1
1 75 . 23 1 1 A 8 8 CYS N N 68 124.700 122.343 2.357 1
1 76 . 23 1 1 A 9 9 LEU H H 69 8.180 7.188 0.992 1
1 77 . 23 1 1 A 9 9 LEU HA H 69 4.580 4.717 -0.137 1
1 87 . 23 1 1 A 9 9 LEU C C 69 176.770 175.711 1.059 1
1 88 . 23 1 1 A 9 9 LEU CA C 69 54.760 53.298 1.462 1
1 89 . 23 1 1 A 9 9 LEU CB C 69 43.150 45.608 -2.458 1
1 93 . 23 1 1 A 9 9 LEU N N 69 122.650 123.203 -0.553 1
1 94 . 23 1 1 A 10 10 ARG H H 70 8.880 8.302 0.578 1
1 95 . 23 1 1 A 10 10 ARG HA H 70 4.770 5.625 -0.855 1
1 102 . 23 1 1 A 10 10 ARG C C 70 174.900 174.158 0.742 1
1 103 . 23 1 1 A 10 10 ARG CA C 70 54.710 54.454 0.256 1
1 104 . 23 1 1 A 10 10 ARG CB C 70 33.390 33.773 -0.383 1
1 107 . 23 1 1 A 10 10 ARG N N 70 117.650 120.726 -3.076 1
1 108 . 23 1 1 A 11 11 GLU H H 71 8.640 9.346 -0.706 1
1 109 . 23 1 1 A 11 11 GLU HA H 71 5.090 4.789 0.301 1
1 113 . 23 1 1 A 11 11 GLU C C 71 176.070 175.310 0.760 1
1 114 . 23 1 1 A 11 11 GLU CA C 71 54.270 55.099 -0.829 1
1 115 . 23 1 1 A 11 11 GLU CB C 71 32.460 31.398 1.062 1
1 117 . 23 1 1 A 11 11 GLU N N 71 123.910 124.867 -0.957 1
1 118 . 23 1 1 A 12 12 ASP H H 72 9.510 9.321 0.189 1
1 119 . 23 1 1 A 12 12 ASP HA H 72 4.270 4.543 -0.273 1
1 122 . 23 1 1 A 12 12 ASP C C 72 175.890 176.321 -0.431 1
1 123 . 23 1 1 A 12 12 ASP CA C 72 55.880 55.394 0.486 1
1 124 . 23 1 1 A 12 12 ASP CB C 72 39.910 39.748 0.162 1
1 125 . 23 1 1 A 12 12 ASP N N 72 129.440 128.314 1.126 1
1 126 . 23 1 1 A 13 13 GLY H H 73 8.970 8.517 0.453 1
1 127 . 23 1 1 A 13 13 GLY HA2 H 73 3.520 3.858 -0.338 1
1 128 . 23 1 1 A 13 13 GLY HA3 H 73 4.200 3.861 0.339 1
1 129 . 23 1 1 A 13 13 GLY C C 73 173.960 173.808 0.152 1
1 130 . 23 1 1 A 13 13 GLY CA C 73 45.350 45.324 0.026 1
1 131 . 23 1 1 A 13 13 GLY N N 73 103.500 104.022 -0.522 1
1 132 . 23 1 1 A 14 14 GLU H H 74 7.660 7.762 -0.102 1
1 133 . 23 1 1 A 14 14 GLU HA H 74 4.640 4.463 0.177 1
1 138 . 23 1 1 A 14 14 GLU C C 74 176.170 176.065 0.105 1
1 139 . 23 1 1 A 14 14 GLU CA C 74 54.460 55.563 -1.103 1
1 140 . 23 1 1 A 14 14 GLU CB C 74 32.050 30.845 1.205 1
1 142 . 23 1 1 A 14 14 GLU N N 74 121.330 120.677 0.653 1
1 143 . 23 1 1 A 15 15 ARG H H 75 9.000 8.733 0.267 1
1 144 . 23 1 1 A 15 15 ARG HA H 75 4.120 4.408 -0.288 1
1 150 . 23 1 1 A 15 15 ARG C C 75 175.230 176.209 -0.979 1
1 151 . 23 1 1 A 15 15 ARG CA C 75 56.640 55.094 1.546 1
1 152 . 23 1 1 A 15 15 ARG CB C 75 29.720 28.808 0.912 1
1 155 . 23 1 1 A 15 15 ARG N N 75 127.990 125.268 2.722 1
1 156 . 23 1 1 A 16 16 CYS H H 76 8.870 8.675 0.195 1
1 157 . 23 1 1 A 16 16 CYS HA H 76 4.170 4.347 -0.177 1
1 160 . 23 1 1 A 16 16 CYS CA C 76 61.840 61.360 0.480 1
1 161 . 23 1 1 A 16 16 CYS CB C 76 31.150 27.939 3.211 1
1 162 . 23 1 1 A 16 16 CYS N N 76 131.840 121.799 10.041 1
1 163 . 23 1 1 A 17 17 GLY H H 77 8.530 7.955 0.575 1
1 164 . 23 1 1 A 17 17 GLY HA2 H 77 3.680 3.996 -0.316 1
1 165 . 23 1 1 A 17 17 GLY HA3 H 77 4.340 4.016 0.324 1
1 166 . 23 1 1 A 17 17 GLY C C 77 174.620 174.367 0.253 1
1 167 . 23 1 1 A 17 17 GLY CA C 77 45.110 45.176 -0.066 1
1 168 . 23 1 1 A 17 17 GLY N N 77 111.930 108.277 3.653 1
1 169 . 23 1 1 A 18 18 ARG H H 78 8.960 7.368 1.592 1
1 170 . 23 1 1 A 18 18 ARG HA H 78 4.290 4.297 -0.007 1
1 177 . 23 1 1 A 18 18 ARG C C 78 175.270 176.022 -0.752 1
1 178 . 23 1 1 A 18 18 ARG CA C 78 56.350 55.886 0.464 1
1 179 . 23 1 1 A 18 18 ARG CB C 78 31.310 30.969 0.341 1
1 182 . 23 1 1 A 18 18 ARG N N 78 124.390 122.328 2.062 1
1 183 . 23 1 1 A 19 19 ALA H H 79 8.340 8.400 -0.060 1
1 184 . 23 1 1 A 19 19 ALA HA H 79 4.170 4.345 -0.175 1
1 188 . 23 1 1 A 19 19 ALA C C 79 177.620 177.507 0.113 1
1 189 . 23 1 1 A 19 19 ALA CA C 79 52.710 52.606 0.104 1
1 190 . 23 1 1 A 19 19 ALA CB C 79 18.710 19.029 -0.319 1
1 191 . 23 1 1 A 19 19 ALA N N 79 123.880 127.643 -3.763 1
1 192 . 23 1 1 A 20 20 ALA H H 80 8.470 8.308 0.162 1
1 193 . 23 1 1 A 20 20 ALA HA H 80 3.540 4.347 -0.807 1
1 197 . 23 1 1 A 20 20 ALA C C 80 177.560 177.489 0.071 1
1 198 . 23 1 1 A 20 20 ALA CA C 80 52.840 52.544 0.296 1
1 199 . 23 1 1 A 20 20 ALA CB C 80 19.050 19.570 -0.520 1
1 200 . 23 1 1 A 20 20 ALA N N 80 124.580 123.546 1.034 1
1 201 . 23 1 1 A 21 21 GLY H H 81 8.090 8.281 -0.191 1
1 202 . 23 1 1 A 21 21 GLY HA2 H 81 3.800 4.050 -0.250 1
1 203 . 23 1 1 A 21 21 GLY HA3 H 81 4.430 4.081 0.349 1
1 204 . 23 1 1 A 21 21 GLY C C 81 173.170 173.507 -0.337 1
1 205 . 23 1 1 A 21 21 GLY CA C 81 44.390 44.918 -0.528 1
1 206 . 23 1 1 A 21 21 GLY N N 81 114.000 107.297 6.703 1
1 207 . 23 1 1 A 22 22 ASN H H 82 8.690 8.647 0.043 1
1 208 . 23 1 1 A 22 22 ASN HA H 82 4.650 4.941 -0.291 1
1 213 . 23 1 1 A 22 22 ASN C C 82 176.260 174.944 1.316 1
1 214 . 23 1 1 A 22 22 ASN CA C 82 53.580 52.114 1.466 1
1 215 . 23 1 1 A 22 22 ASN CB C 82 39.580 39.145 0.435 1
1 216 . 23 1 1 A 22 22 ASN N N 82 118.160 123.508 -5.348 1
1 218 . 23 1 1 A 23 23 ALA H H 83 8.720 7.461 1.259 1
1 219 . 23 1 1 A 23 23 ALA HA H 83 4.570 4.909 -0.339 1
1 223 . 23 1 1 A 23 23 ALA C C 83 175.910 176.540 -0.630 1
1 224 . 23 1 1 A 23 23 ALA CA C 83 52.340 50.524 1.816 1
1 225 . 23 1 1 A 23 23 ALA CB C 83 19.370 23.076 -3.706 1
1 226 . 23 1 1 A 23 23 ALA N N 83 125.180 122.755 2.425 1
1 227 . 23 1 1 A 24 24 SER H H 84 7.970 9.059 -1.089 1
1 228 . 23 1 1 A 24 24 SER HA H 84 5.310 5.542 -0.232 1
1 230 . 23 1 1 A 24 24 SER C C 84 174.620 172.981 1.639 1
1 231 . 23 1 1 A 24 24 SER CA C 84 56.550 55.806 0.744 1
1 232 . 23 1 1 A 24 24 SER CB C 84 66.420 66.076 0.344 1
1 233 . 23 1 1 A 24 24 SER N N 84 112.840 112.831 0.009 1
1 234 . 23 1 1 A 25 25 PHE H H 85 9.580 8.972 0.608 1
1 235 . 23 1 1 A 25 25 PHE HA H 85 4.320 4.745 -0.425 1
1 241 . 23 1 1 A 25 25 PHE C C 85 173.430 174.709 -1.279 1
1 242 . 23 1 1 A 25 25 PHE CA C 85 57.780 57.834 -0.054 1
1 243 . 23 1 1 A 25 25 PHE CB C 85 38.780 39.599 -0.819 1
1 247 . 23 1 1 A 25 25 PHE N N 85 125.520 125.529 -0.009 1
1 248 . 23 1 1 A 26 26 SER H H 86 6.780 8.286 -1.506 1
1 249 . 23 1 1 A 26 26 SER HA H 86 4.430 4.714 -0.284 1
1 252 . 23 1 1 A 26 26 SER C C 86 174.200 174.691 -0.491 1
1 253 . 23 1 1 A 26 26 SER CA C 86 56.610 56.157 0.453 1
1 254 . 23 1 1 A 26 26 SER CB C 86 66.010 65.646 0.364 1
1 255 . 23 1 1 A 26 26 SER N N 86 118.860 118.658 0.202 1
1 256 . 23 1 1 A 27 27 LYS H H 87 8.710 8.596 0.114 1
1 257 . 23 1 1 A 27 27 LYS HA H 87 3.850 3.767 0.083 1
1 263 . 23 1 1 A 27 27 LYS C C 87 178.490 178.833 -0.343 1
1 264 . 23 1 1 A 27 27 LYS CA C 87 59.390 59.190 0.200 1
1 265 . 23 1 1 A 27 27 LYS CB C 87 31.970 32.715 -0.745 1
1 269 . 23 1 1 A 27 27 LYS N N 87 121.790 118.919 2.871 1
1 270 . 23 1 1 A 28 28 ARG H H 88 8.010 7.773 0.237 1
1 271 . 23 1 1 A 28 28 ARG HA H 88 3.990 4.026 -0.036 1
1 277 . 23 1 1 A 28 28 ARG C C 88 178.890 178.766 0.124 1
1 278 . 23 1 1 A 28 28 ARG CA C 88 59.010 58.611 0.399 1
1 279 . 23 1 1 A 28 28 ARG CB C 88 30.120 29.845 0.275 1
1 282 . 23 1 1 A 28 28 ARG N N 88 119.520 119.709 -0.189 1
1 283 . 23 1 1 A 29 29 ILE H H 89 7.350 8.112 -0.762 1
1 284 . 23 1 1 A 29 29 ILE HA H 89 3.680 3.680 0.000 1
1 294 . 23 1 1 A 29 29 ILE C C 89 177.620 177.793 -0.173 1
1 295 . 23 1 1 A 29 29 ILE CA C 89 63.170 65.210 -2.040 1
1 296 . 23 1 1 A 29 29 ILE CB C 89 36.900 37.012 -0.112 1
1 300 . 23 1 1 A 29 29 ILE N N 89 121.980 119.905 2.075 1
1 301 . 23 1 1 A 30 30 GLN H H 90 7.990 8.029 -0.039 1
1 302 . 23 1 1 A 30 30 GLN HA H 90 3.630 4.020 -0.390 1
1 308 . 23 1 1 A 30 30 GLN C C 90 178.320 178.617 -0.297 1
1 309 . 23 1 1 A 30 30 GLN CA C 90 59.200 59.205 -0.005 1
1 310 . 23 1 1 A 30 30 GLN CB C 90 28.700 28.026 0.674 1
1 312 . 23 1 1 A 30 30 GLN N N 90 121.020 120.677 0.343 1
1 314 . 23 1 1 A 31 31 LYS H H 91 7.990 8.336 -0.346 1
1 315 . 23 1 1 A 31 31 LYS HA H 91 4.090 4.032 0.058 1
1 321 . 23 1 1 A 31 31 LYS C C 91 178.650 178.840 -0.190 1
1 322 . 23 1 1 A 31 31 LYS CA C 91 58.720 59.209 -0.489 1
1 323 . 23 1 1 A 31 31 LYS CB C 91 32.220 32.159 0.061 1
1 327 . 23 1 1 A 31 31 LYS N N 91 119.520 119.128 0.392 1
1 328 . 23 1 1 A 32 32 SER H H 92 7.770 8.192 -0.422 1
1 329 . 23 1 1 A 32 32 SER HA H 92 4.320 4.153 0.167 1
1 332 . 23 1 1 A 32 32 SER C C 92 176.110 177.405 -1.295 1
1 333 . 23 1 1 A 32 32 SER CA C 92 61.260 61.840 -0.580 1
1 334 . 23 1 1 A 32 32 SER CB C 92 63.610 63.932 -0.322 1
1 335 . 23 1 1 A 32 32 SER N N 92 116.310 114.090 2.220 1
1 336 . 23 1 1 A 33 33 ILE H H 93 7.960 8.021 -0.061 1
1 337 . 23 1 1 A 33 33 ILE HA H 93 3.920 3.592 0.328 1
1 347 . 23 1 1 A 33 33 ILE C C 93 177.480 177.948 -0.468 1
1 348 . 23 1 1 A 33 33 ILE CA C 93 63.610 65.273 -1.663 1
1 349 . 23 1 1 A 33 33 ILE CB C 93 38.330 37.355 0.975 1
1 353 . 23 1 1 A 33 33 ILE N N 93 119.950 121.592 -1.642 1
1 354 . 23 1 1 A 34 34 SER H H 94 7.970 8.390 -0.420 1
1 355 . 23 1 1 A 34 34 SER HA H 94 4.390 4.071 0.319 1
1 357 . 23 1 1 A 34 34 SER C C 94 176.490 176.931 -0.441 1
1 358 . 23 1 1 A 34 34 SER CA C 94 60.560 61.269 -0.709 1
1 359 . 23 1 1 A 34 34 SER CB C 94 63.130 63.268 -0.138 1
1 360 . 23 1 1 A 34 34 SER N N 94 117.230 115.513 1.717 1
1 361 . 23 1 1 A 35 35 GLN H H 95 8.220 7.851 0.369 1
1 362 . 23 1 1 A 35 35 GLN HA H 95 4.260 4.027 0.233 1
1 369 . 23 1 1 A 35 35 GLN C C 95 177.050 177.951 -0.901 1
1 370 . 23 1 1 A 35 35 GLN CA C 95 57.360 58.801 -1.441 1
1 371 . 23 1 1 A 35 35 GLN CB C 95 28.900 28.416 0.484 1
1 373 . 23 1 1 A 35 35 GLN N N 95 121.530 120.480 1.050 1
1 375 . 23 1 1 A 36 36 LYS H H 96 7.870 7.534 0.336 1
1 376 . 23 1 1 A 36 36 LYS HA H 96 4.280 4.251 0.029 1
1 383 . 23 1 1 A 36 36 LYS C C 96 176.160 176.176 -0.016 1
1 384 . 23 1 1 A 36 36 LYS CA C 96 56.570 57.925 -1.355 1
1 385 . 23 1 1 A 36 36 LYS CB C 96 33.600 33.255 0.345 1
1 389 . 23 1 1 A 36 36 LYS N N 96 118.550 116.206 2.344 1
1 390 . 23 1 1 A 37 37 LYS H H 97 8.110 9.124 -1.014 1
1 391 . 23 1 1 A 37 37 LYS HA H 97 4.110 4.182 -0.072 1
1 396 . 23 1 1 A 37 37 LYS C C 97 176.210 176.272 -0.062 1
1 397 . 23 1 1 A 37 37 LYS CA C 97 57.230 56.632 0.598 1
1 398 . 23 1 1 A 37 37 LYS CB C 97 30.580 31.104 -0.524 1
1 402 . 23 1 1 A 37 37 LYS N N 97 117.680 117.026 0.654 1
1 403 . 23 1 1 A 38 38 VAL H H 98 7.430 7.935 -0.505 1
1 404 . 23 1 1 A 38 38 VAL HA H 98 4.350 4.890 -0.540 1
1 412 . 23 1 1 A 38 38 VAL C C 98 175.830 174.906 0.924 1
1 413 . 23 1 1 A 38 38 VAL CA C 98 60.580 58.747 1.833 1
1 414 . 23 1 1 A 38 38 VAL CB C 98 33.410 35.791 -2.381 1
1 417 . 23 1 1 A 38 38 VAL N N 98 115.860 116.827 -0.967 1
1 418 . 23 1 1 A 39 39 LYS H H 99 8.960 8.368 0.592 1
1 419 . 23 1 1 A 39 39 LYS HA H 99 4.430 4.450 -0.020 1
1 425 . 23 1 1 A 39 39 LYS C C 99 175.700 174.571 1.129 1
1 426 . 23 1 1 A 39 39 LYS CA C 99 55.420 56.127 -0.707 1
1 427 . 23 1 1 A 39 39 LYS CB C 99 30.580 30.628 -0.048 1
1 431 . 23 1 1 A 39 39 LYS N N 99 127.710 119.774 7.936 1
1 432 . 23 1 1 A 40 40 ILE H H 100 7.660 7.418 0.242 1
1 433 . 23 1 1 A 40 40 ILE HA H 100 5.020 5.217 -0.197 1
1 443 . 23 1 1 A 40 40 ILE C C 100 174.520 174.950 -0.430 1
1 444 . 23 1 1 A 40 40 ILE CA C 100 59.370 60.438 -1.068 1
1 445 . 23 1 1 A 40 40 ILE CB C 100 40.650 40.541 0.109 1
1 449 . 23 1 1 A 40 40 ILE N N 100 123.140 122.315 0.825 1
1 450 . 23 1 1 A 41 41 GLU H H 101 8.490 9.081 -0.591 1
1 451 . 23 1 1 A 41 41 GLU HA H 101 4.620 4.882 -0.262 1
1 456 . 23 1 1 A 41 41 GLU C C 101 173.590 174.444 -0.854 1
1 457 . 23 1 1 A 41 41 GLU CA C 101 53.740 54.264 -0.524 1
1 458 . 23 1 1 A 41 41 GLU CB C 101 34.580 33.572 1.008 1
1 460 . 23 1 1 A 41 41 GLU N N 101 123.460 124.544 -1.084 1
1 461 . 23 1 1 A 42 42 LEU H H 102 8.490 8.248 0.242 1
1 462 . 23 1 1 A 42 42 LEU HA H 102 3.790 4.469 -0.679 1
1 472 . 23 1 1 A 42 42 LEU C C 102 176.440 175.872 0.568 1
1 473 . 23 1 1 A 42 42 LEU CA C 102 55.190 54.416 0.774 1
1 474 . 23 1 1 A 42 42 LEU CB C 102 43.100 43.156 -0.056 1
1 478 . 23 1 1 A 42 42 LEU N N 102 123.470 124.278 -0.808 1
1 479 . 23 1 1 A 43 43 ASP H H 103 8.770 8.174 0.596 1
1 480 . 23 1 1 A 43 43 ASP HA H 103 4.520 4.631 -0.111 1
1 483 . 23 1 1 A 43 43 ASP C C 103 177.600 176.707 0.893 1
1 484 . 23 1 1 A 43 43 ASP CA C 103 53.740 54.639 -0.899 1
1 485 . 23 1 1 A 43 43 ASP CB C 103 41.880 41.976 -0.096 1
1 486 . 23 1 1 A 43 43 ASP N N 103 127.210 126.379 0.831 1
1 487 . 23 1 1 A 44 44 LYS H H 104 8.910 9.003 -0.093 1
1 488 . 23 1 1 A 44 44 LYS HA H 104 3.920 4.194 -0.274 1
1 495 . 23 1 1 A 44 44 LYS C C 104 177.340 178.324 -0.984 1
1 496 . 23 1 1 A 44 44 LYS CA C 104 58.930 57.432 1.498 1
1 497 . 23 1 1 A 44 44 LYS CB C 104 32.000 32.141 -0.141 1
1 501 . 23 1 1 A 44 44 LYS N N 104 129.080 127.352 1.728 1
1 502 . 23 1 1 A 45 45 SER H H 105 8.740 8.032 0.708 1
1 503 . 23 1 1 A 45 45 SER HA H 105 4.370 4.175 0.195 1
1 506 . 23 1 1 A 45 45 SER C C 105 175.040 175.329 -0.289 1
1 507 . 23 1 1 A 45 45 SER CA C 105 59.150 61.057 -1.907 1
1 508 . 23 1 1 A 45 45 SER CB C 105 63.830 63.008 0.822 1
1 509 . 23 1 1 A 45 45 SER N N 105 115.270 114.425 0.845 1
1 510 . 23 1 1 A 46 46 ALA H H 106 7.430 7.391 0.039 1
1 511 . 23 1 1 A 46 46 ALA HA H 106 4.150 4.195 -0.045 1
1 515 . 23 1 1 A 46 46 ALA CA C 106 53.300 51.722 1.578 1
1 516 . 23 1 1 A 46 46 ALA CB C 106 19.190 19.821 -0.631 1
1 517 . 23 1 1 A 46 46 ALA N N 106 125.120 123.134 1.986 1
1 518 . 23 1 1 A 47 47 ARG HA H 107 4.280 4.573 -0.293 1
1 526 . 23 1 1 A 48 48 HIS HA H 108 4.650 4.737 -0.087 1
1 531 . 23 1 1 A 48 48 HIS C C 108 173.160 173.802 -0.642 1
1 532 . 23 1 1 A 48 48 HIS CA C 108 54.990 54.930 0.060 1
1 533 . 23 1 1 A 48 48 HIS CB C 108 33.400 32.150 1.250 1
1 538 . 23 1 1 A 49 49 LEU H H 109 8.030 8.721 -0.691 1
1 539 . 23 1 1 A 49 49 LEU HA H 109 5.040 4.763 0.277 1
1 549 . 23 1 1 A 49 49 LEU CA C 109 54.480 53.936 0.544 1
1 550 . 23 1 1 A 49 49 LEU CB C 109 43.010 43.018 -0.008 1
1 554 . 23 1 1 A 49 49 LEU N N 109 120.130 119.817 0.313 1
1 555 . 23 1 1 A 50 50 TYR HA H 110 5.020 5.251 -0.231 1
1 560 . 23 1 1 A 50 50 TYR C C 110 176.960 175.857 1.103 1
1 561 . 23 1 1 A 50 50 TYR CA C 110 60.340 56.676 3.664 1
1 562 . 23 1 1 A 50 50 TYR CB C 110 39.210 40.618 -1.408 1
1 565 . 23 1 1 A 51 51 ILE H H 111 8.510 8.748 -0.238 1
1 566 . 23 1 1 A 51 51 ILE HA H 111 5.960 4.816 1.144 1
1 576 . 23 1 1 A 51 51 ILE C C 111 177.900 176.189 1.711 1
1 577 . 23 1 1 A 51 51 ILE CA C 111 58.100 59.340 -1.240 1
1 578 . 23 1 1 A 51 51 ILE CB C 111 41.370 40.414 0.956 1
1 582 . 23 1 1 A 51 51 ILE N N 111 115.050 119.862 -4.812 1
1 583 . 23 1 1 A 52 52 CYS H H 112 9.830 8.898 0.932 1
1 584 . 23 1 1 A 52 52 CYS HA H 112 5.000 4.893 0.107 1
1 587 . 23 1 1 A 52 52 CYS C C 112 175.420 175.765 -0.345 1
1 588 . 23 1 1 A 52 52 CYS CA C 112 57.770 57.524 0.246 1
1 589 . 23 1 1 A 52 52 CYS CB C 112 33.120 30.079 3.041 1
1 590 . 23 1 1 A 52 52 CYS N N 112 125.820 122.041 3.779 1
1 591 . 23 1 1 A 53 53 ASP H H 113 9.000 8.975 0.025 1
1 592 . 23 1 1 A 53 53 ASP HA H 113 4.510 4.333 0.177 1
1 594 . 23 1 1 A 53 53 ASP C C 113 178.140 178.100 0.040 1
1 595 . 23 1 1 A 53 53 ASP CA C 113 57.330 57.504 -0.174 1
1 596 . 23 1 1 A 53 53 ASP CB C 113 39.730 40.405 -0.675 1
1 597 . 23 1 1 A 53 53 ASP N N 113 121.960 120.676 1.284 1
1 598 . 23 1 1 A 54 54 TYR H H 114 8.220 8.237 -0.017 1
1 599 . 23 1 1 A 54 54 TYR HA H 114 4.100 4.139 -0.039 1
1 604 . 23 1 1 A 54 54 TYR C C 114 178.410 177.234 1.176 1
1 605 . 23 1 1 A 54 54 TYR CA C 114 61.970 61.859 0.111 1
1 606 . 23 1 1 A 54 54 TYR CB C 114 37.150 38.922 -1.772 1
1 609 . 23 1 1 A 54 54 TYR N N 114 123.510 122.158 1.352 1
1 610 . 23 1 1 A 55 55 HIS H H 115 10.090 7.697 2.393 1
1 611 . 23 1 1 A 55 55 HIS HA H 115 4.040 3.889 0.151 1
1 616 . 23 1 1 A 55 55 HIS C C 115 177.240 177.429 -0.189 1
1 617 . 23 1 1 A 55 55 HIS CA C 115 63.870 59.923 3.947 1
1 618 . 23 1 1 A 55 55 HIS CB C 115 29.600 29.421 0.179 1
1 621 . 23 1 1 A 55 55 HIS N N 115 124.830 116.790 8.040 1
1 624 . 23 1 1 A 56 56 LYS H H 116 8.830 8.165 0.665 1
1 625 . 23 1 1 A 56 56 LYS HA H 116 3.720 3.868 -0.148 1
1 633 . 23 1 1 A 56 56 LYS C C 116 178.140 178.909 -0.769 1
1 634 . 23 1 1 A 56 56 LYS CA C 116 60.590 60.001 0.589 1
1 635 . 23 1 1 A 56 56 LYS CB C 116 32.230 32.480 -0.250 1
1 639 . 23 1 1 A 56 56 LYS N N 116 123.340 120.450 2.890 1
1 640 . 23 1 1 A 57 57 ASN H H 117 8.140 8.238 -0.098 1
1 641 . 23 1 1 A 57 57 ASN HA H 117 4.340 4.497 -0.157 1
1 646 . 23 1 1 A 57 57 ASN C C 117 177.570 177.338 0.232 1
1 647 . 23 1 1 A 57 57 ASN CA C 117 55.890 56.129 -0.239 1
1 648 . 23 1 1 A 57 57 ASN CB C 117 38.070 38.600 -0.530 1
1 649 . 23 1 1 A 57 57 ASN N N 117 116.920 118.291 -1.371 1
1 651 . 23 1 1 A 58 58 LEU H H 118 7.890 7.691 0.199 1
1 652 . 23 1 1 A 58 58 LEU HA H 118 3.930 3.984 -0.054 1
1 662 . 23 1 1 A 58 58 LEU C C 118 179.400 178.922 0.478 1
1 663 . 23 1 1 A 58 58 LEU CA C 118 58.420 58.145 0.275 1
1 664 . 23 1 1 A 58 58 LEU CB C 118 43.170 41.392 1.778 1
1 668 . 23 1 1 A 58 58 LEU N N 118 123.590 120.038 3.552 1
1 669 . 23 1 1 A 59 59 ILE H H 119 8.360 7.787 0.573 1
1 670 . 23 1 1 A 59 59 ILE HA H 119 3.470 3.912 -0.442 1
1 680 . 23 1 1 A 59 59 ILE C C 119 177.290 177.972 -0.682 1
1 681 . 23 1 1 A 59 59 ILE CA C 119 65.260 64.121 1.139 1
1 682 . 23 1 1 A 59 59 ILE CB C 119 38.330 38.070 0.260 1
1 686 . 23 1 1 A 59 59 ILE N N 119 118.630 119.436 -0.806 1
1 687 . 23 1 1 A 60 60 GLN H H 120 7.830 8.265 -0.435 1
1 688 . 23 1 1 A 60 60 GLN HA H 120 4.130 3.958 0.172 1
1 694 . 23 1 1 A 60 60 GLN C C 120 177.240 178.119 -0.879 1
1 695 . 23 1 1 A 60 60 GLN CA C 120 57.750 59.079 -1.329 1
1 696 . 23 1 1 A 60 60 GLN CB C 120 28.910 28.236 0.674 1
1 698 . 23 1 1 A 60 60 GLN N N 120 117.840 120.303 -2.463 1
1 700 . 23 1 1 A 61 61 SER H H 121 7.790 7.779 0.011 1
1 701 . 23 1 1 A 61 61 SER HA H 121 4.300 4.670 -0.370 1
1 703 . 23 1 1 A 61 61 SER C C 121 175.650 174.552 1.098 1
1 704 . 23 1 1 A 61 61 SER CA C 121 60.090 58.516 1.574 1
1 705 . 23 1 1 A 61 61 SER CB C 121 63.570 62.827 0.743 1
1 706 . 23 1 1 A 61 61 SER N N 121 115.460 114.757 0.703 1
1 707 . 23 1 1 A 62 62 VAL H H 122 8.020 7.223 0.797 1
1 708 . 23 1 1 A 62 62 VAL HA H 122 4.020 3.998 0.022 1
1 716 . 23 1 1 A 62 62 VAL C C 122 176.960 177.025 -0.065 1
1 717 . 23 1 1 A 62 62 VAL CA C 122 63.600 64.728 -1.128 1
1 718 . 23 1 1 A 62 62 VAL CB C 122 32.300 32.497 -0.197 1
1 721 . 23 1 1 A 62 62 VAL N N 122 121.600 120.850 0.750 1
1 722 . 23 1 1 A 63 63 ARG H H 123 8.130 7.336 0.794 1
1 723 . 23 1 1 A 63 63 ARG HA H 123 4.190 4.263 -0.073 1
1 729 . 23 1 1 A 63 63 ARG C C 123 176.490 176.223 0.267 1
1 730 . 23 1 1 A 63 63 ARG CA C 123 57.070 56.549 0.521 1
1 731 . 23 1 1 A 63 63 ARG CB C 123 30.780 30.967 -0.187 1
1 734 . 23 1 1 A 63 63 ARG N N 123 122.770 118.662 4.108 1
1 735 . 23 1 1 A 64 64 ASN H H 124 8.210 7.748 0.462 1
1 736 . 23 1 1 A 64 64 ASN HA H 124 4.650 5.023 -0.373 1
1 741 . 23 1 1 A 64 64 ASN C C 124 175.310 173.973 1.337 1
1 742 . 23 1 1 A 64 64 ASN CA C 124 53.500 52.451 1.049 1
1 743 . 23 1 1 A 64 64 ASN CB C 124 38.840 39.533 -0.693 1
1 744 . 23 1 1 A 64 64 ASN N N 124 119.350 117.617 1.733 1
1 746 . 23 1 1 A 65 65 ARG H H 125 8.100 8.496 -0.396 1
1 747 . 23 1 1 A 65 65 ARG HA H 125 4.270 4.453 -0.183 1
1 752 . 23 1 1 A 65 65 ARG C C 125 176.310 175.910 0.400 1
1 753 . 23 1 1 A 65 65 ARG CA C 125 56.580 55.885 0.695 1
1 754 . 23 1 1 A 65 65 ARG CB C 125 30.810 31.685 -0.875 1
1 757 . 23 1 1 A 65 65 ARG N N 125 122.230 125.987 -3.757 1
1 758 . 23 1 1 A 66 66 ARG H H 126 8.260 8.518 -0.258 1
1 759 . 23 1 1 A 66 66 ARG HA H 126 4.270 4.749 -0.479 1
1 764 . 23 1 1 A 66 66 ARG C C 126 176.210 175.124 1.086 1
1 765 . 23 1 1 A 66 66 ARG CA C 126 56.190 55.862 0.328 1
1 766 . 23 1 1 A 66 66 ARG CB C 126 30.810 31.246 -0.436 1
1 769 . 23 1 1 A 66 66 ARG N N 126 122.760 122.055 0.705 1
1 770 . 23 1 1 A 67 67 LYS H H 127 8.270 8.512 -0.242 1
1 771 . 23 1 1 A 67 67 LYS HA H 127 4.260 4.947 -0.687 1
1 776 . 23 1 1 A 67 67 LYS C C 127 176.450 173.850 2.600 1
1 777 . 23 1 1 A 67 67 LYS CA C 127 56.320 55.300 1.020 1
1 778 . 23 1 1 A 67 67 LYS CB C 127 33.180 36.747 -3.567 1
1 782 . 23 1 1 A 67 67 LYS N N 127 123.620 126.563 -2.943 1
1 783 . 23 1 1 A 68 68 ARG H H 128 8.340 8.517 -0.177 1
1 784 . 23 1 1 A 68 68 ARG HA H 128 4.270 4.954 -0.684 1
1 788 . 23 1 1 A 68 68 ARG C C 128 176.250 176.273 -0.023 1
1 789 . 23 1 1 A 68 68 ARG CA C 128 56.130 54.259 1.871 1
1 790 . 23 1 1 A 68 68 ARG CB C 128 31.060 33.539 -2.479 1
1 793 . 23 1 1 A 68 68 ARG N N 128 123.750 123.527 0.223 1
1 794 . 23 1 1 A 69 69 LYS H H 129 8.450 8.922 -0.472 1
1 795 . 23 1 1 A 69 69 LYS HA H 129 4.250 4.366 -0.116 1
1 800 . 23 1 1 A 69 69 LYS C C 129 177.010 176.571 0.439 1
1 801 . 23 1 1 A 69 69 LYS CA C 129 57.000 56.282 0.718 1
1 802 . 23 1 1 A 69 69 LYS CB C 129 32.940 33.596 -0.656 1
1 806 . 23 1 1 A 69 69 LYS N N 129 124.580 123.419 1.161 1
1 807 . 23 1 1 A 70 70 GLY H H 130 8.500 7.631 0.869 1
1 808 . 23 1 1 A 70 70 GLY HA2 H 130 3.910 4.007 -0.097 1
1 809 . 23 1 1 A 70 70 GLY HA3 H 130 4.010 4.007 0.003 1
1 810 . 23 1 1 A 70 70 GLY C C 130 173.360 175.039 -1.679 1
1 811 . 23 1 1 A 70 70 GLY CA C 130 45.370 45.450 -0.080 1
1 812 . 23 1 1 A 70 70 GLY N N 130 112.470 106.811 5.659 1
1 6 . 24 1 1 A 2 2 ASN HA H 62 4.610 4.944 -0.334 1
1 10 . 24 1 1 A 2 2 ASN C C 62 174.760 173.891 0.869 1
1 11 . 24 1 1 A 2 2 ASN CA C 62 53.100 52.715 0.385 1
1 12 . 24 1 1 A 2 2 ASN CB C 62 38.790 37.437 1.353 1
1 14 . 24 1 1 A 3 3 ALA H H 63 8.300 8.056 0.244 1
1 15 . 24 1 1 A 3 3 ALA HA H 63 4.200 4.479 -0.279 1
1 19 . 24 1 1 A 3 3 ALA C C 63 178.180 176.559 1.621 1
1 20 . 24 1 1 A 3 3 ALA CA C 63 53.070 51.485 1.585 1
1 21 . 24 1 1 A 3 3 ALA CB C 63 18.960 19.514 -0.554 1
1 22 . 24 1 1 A 3 3 ALA N N 63 125.390 121.219 4.171 1
1 23 . 24 1 1 A 4 4 GLY H H 64 8.340 8.212 0.128 1
1 24 . 24 1 1 A 4 4 GLY HA2 H 64 3.800 3.909 -0.109 1
1 25 . 24 1 1 A 4 4 GLY HA3 H 64 3.860 3.923 -0.063 1
1 26 . 24 1 1 A 4 4 GLY C C 64 174.010 175.071 -1.061 1
1 27 . 24 1 1 A 4 4 GLY CA C 64 45.350 46.512 -1.162 1
1 28 . 24 1 1 A 4 4 GLY N N 64 109.300 111.289 -1.989 1
1 29 . 24 1 1 A 5 5 GLN H H 65 7.950 8.034 -0.084 1
1 30 . 24 1 1 A 5 5 GLN HA H 65 4.330 4.313 0.017 1
1 35 . 24 1 1 A 5 5 GLN C C 65 175.560 175.059 0.501 1
1 36 . 24 1 1 A 5 5 GLN CA C 65 55.400 56.549 -1.149 1
1 37 . 24 1 1 A 5 5 GLN CB C 65 29.860 30.218 -0.358 1
1 39 . 24 1 1 A 5 5 GLN N N 65 119.540 118.694 0.846 1
1 41 . 24 1 1 A 6 6 LEU H H 66 8.740 8.470 0.270 1
1 42 . 24 1 1 A 6 6 LEU HA H 66 4.610 5.012 -0.402 1
1 52 . 24 1 1 A 6 6 LEU C C 66 175.750 175.102 0.648 1
1 53 . 24 1 1 A 6 6 LEU CA C 66 54.010 53.224 0.786 1
1 54 . 24 1 1 A 6 6 LEU CB C 66 43.490 45.054 -1.564 1
1 58 . 24 1 1 A 6 6 LEU N N 66 126.120 120.688 5.432 1
1 59 . 24 1 1 A 7 7 CYS H H 67 8.470 8.445 0.025 1
1 60 . 24 1 1 A 7 7 CYS HA H 67 4.140 4.676 -0.536 1
1 63 . 24 1 1 A 7 7 CYS C C 67 175.320 176.212 -0.892 1
1 64 . 24 1 1 A 7 7 CYS CA C 67 60.780 59.526 1.254 1
1 65 . 24 1 1 A 7 7 CYS CB C 67 32.850 28.597 4.253 1
1 66 . 24 1 1 A 7 7 CYS N N 67 123.170 119.899 3.271 1
1 67 . 24 1 1 A 8 8 CYS H H 68 8.170 8.679 -0.509 1
1 68 . 24 1 1 A 8 8 CYS HA H 68 4.280 4.759 -0.479 1
1 72 . 24 1 1 A 8 8 CYS C C 68 172.410 174.098 -1.688 1
1 73 . 24 1 1 A 8 8 CYS CA C 68 58.920 58.286 0.634 1
1 74 . 24 1 1 A 8 8 CYS CB C 68 28.920 27.611 1.309 1
1 75 . 24 1 1 A 8 8 CYS N N 68 124.700 123.942 0.758 1
1 76 . 24 1 1 A 9 9 LEU H H 69 8.180 7.220 0.960 1
1 77 . 24 1 1 A 9 9 LEU HA H 69 4.580 4.523 0.057 1
1 87 . 24 1 1 A 9 9 LEU C C 69 176.770 176.112 0.658 1
1 88 . 24 1 1 A 9 9 LEU CA C 69 54.760 53.070 1.690 1
1 89 . 24 1 1 A 9 9 LEU CB C 69 43.150 44.598 -1.448 1
1 93 . 24 1 1 A 9 9 LEU N N 69 122.650 123.112 -0.462 1
1 94 . 24 1 1 A 10 10 ARG H H 70 8.880 8.671 0.209 1
1 95 . 24 1 1 A 10 10 ARG HA H 70 4.770 5.375 -0.605 1
1 102 . 24 1 1 A 10 10 ARG C C 70 174.900 174.327 0.573 1
1 103 . 24 1 1 A 10 10 ARG CA C 70 54.710 54.174 0.536 1
1 104 . 24 1 1 A 10 10 ARG CB C 70 33.390 32.258 1.132 1
1 107 . 24 1 1 A 10 10 ARG N N 70 117.650 120.313 -2.663 1
1 108 . 24 1 1 A 11 11 GLU H H 71 8.640 9.322 -0.682 1
1 109 . 24 1 1 A 11 11 GLU HA H 71 5.090 4.583 0.507 1
1 113 . 24 1 1 A 11 11 GLU C C 71 176.070 175.359 0.711 1
1 114 . 24 1 1 A 11 11 GLU CA C 71 54.270 55.095 -0.825 1
1 115 . 24 1 1 A 11 11 GLU CB C 71 32.460 30.326 2.134 1
1 117 . 24 1 1 A 11 11 GLU N N 71 123.910 125.717 -1.807 1
1 118 . 24 1 1 A 12 12 ASP H H 72 9.510 9.134 0.376 1
1 119 . 24 1 1 A 12 12 ASP HA H 72 4.270 4.397 -0.127 1
1 122 . 24 1 1 A 12 12 ASP C C 72 175.890 176.083 -0.193 1
1 123 . 24 1 1 A 12 12 ASP CA C 72 55.880 55.385 0.495 1
1 124 . 24 1 1 A 12 12 ASP CB C 72 39.910 39.859 0.051 1
1 125 . 24 1 1 A 12 12 ASP N N 72 129.440 128.395 1.045 1
1 126 . 24 1 1 A 13 13 GLY H H 73 8.970 8.447 0.523 1
1 127 . 24 1 1 A 13 13 GLY HA2 H 73 3.520 3.856 -0.336 1
1 128 . 24 1 1 A 13 13 GLY HA3 H 73 4.200 3.859 0.341 1
1 129 . 24 1 1 A 13 13 GLY C C 73 173.960 173.835 0.125 1
1 130 . 24 1 1 A 13 13 GLY CA C 73 45.350 45.230 0.120 1
1 131 . 24 1 1 A 13 13 GLY N N 73 103.500 103.328 0.172 1
1 132 . 24 1 1 A 14 14 GLU H H 74 7.660 7.479 0.181 1
1 133 . 24 1 1 A 14 14 GLU HA H 74 4.640 4.392 0.248 1
1 138 . 24 1 1 A 14 14 GLU C C 74 176.170 176.318 -0.148 1
1 139 . 24 1 1 A 14 14 GLU CA C 74 54.460 55.903 -1.443 1
1 140 . 24 1 1 A 14 14 GLU CB C 74 32.050 30.404 1.646 1
1 142 . 24 1 1 A 14 14 GLU N N 74 121.330 120.590 0.740 1
1 143 . 24 1 1 A 15 15 ARG H H 75 9.000 8.842 0.158 1
1 144 . 24 1 1 A 15 15 ARG HA H 75 4.120 4.590 -0.470 1
1 150 . 24 1 1 A 15 15 ARG C C 75 175.230 175.902 -0.672 1
1 151 . 24 1 1 A 15 15 ARG CA C 75 56.640 55.230 1.410 1
1 152 . 24 1 1 A 15 15 ARG CB C 75 29.720 28.321 1.399 1
1 155 . 24 1 1 A 15 15 ARG N N 75 127.990 125.451 2.539 1
1 156 . 24 1 1 A 16 16 CYS H H 76 8.870 9.018 -0.148 1
1 157 . 24 1 1 A 16 16 CYS HA H 76 4.170 4.315 -0.145 1
1 160 . 24 1 1 A 16 16 CYS CA C 76 61.840 61.106 0.734 1
1 161 . 24 1 1 A 16 16 CYS CB C 76 31.150 28.086 3.064 1
1 162 . 24 1 1 A 16 16 CYS N N 76 131.840 118.135 13.705 1
1 163 . 24 1 1 A 17 17 GLY H H 77 8.530 8.636 -0.106 1
1 164 . 24 1 1 A 17 17 GLY HA2 H 77 3.680 3.889 -0.209 1
1 165 . 24 1 1 A 17 17 GLY HA3 H 77 4.340 3.906 0.434 1
1 166 . 24 1 1 A 17 17 GLY C C 77 174.620 173.693 0.927 1
1 167 . 24 1 1 A 17 17 GLY CA C 77 45.110 45.631 -0.521 1
1 168 . 24 1 1 A 17 17 GLY N N 77 111.930 108.415 3.515 1
1 169 . 24 1 1 A 18 18 ARG H H 78 8.960 7.672 1.288 1
1 170 . 24 1 1 A 18 18 ARG HA H 78 4.290 4.761 -0.471 1
1 177 . 24 1 1 A 18 18 ARG C C 78 175.270 174.904 0.366 1
1 178 . 24 1 1 A 18 18 ARG CA C 78 56.350 54.084 2.266 1
1 179 . 24 1 1 A 18 18 ARG CB C 78 31.310 33.350 -2.040 1
1 182 . 24 1 1 A 18 18 ARG N N 78 124.390 120.220 4.170 1
1 183 . 24 1 1 A 19 19 ALA H H 79 8.340 8.550 -0.210 1
1 184 . 24 1 1 A 19 19 ALA HA H 79 4.170 4.354 -0.184 1
1 188 . 24 1 1 A 19 19 ALA C C 79 177.620 177.680 -0.060 1
1 189 . 24 1 1 A 19 19 ALA CA C 79 52.710 52.593 0.117 1
1 190 . 24 1 1 A 19 19 ALA CB C 79 18.710 19.099 -0.389 1
1 191 . 24 1 1 A 19 19 ALA N N 79 123.880 128.013 -4.133 1
1 192 . 24 1 1 A 20 20 ALA H H 80 8.470 8.130 0.340 1
1 193 . 24 1 1 A 20 20 ALA HA H 80 3.540 4.319 -0.779 1
1 197 . 24 1 1 A 20 20 ALA C C 80 177.560 177.586 -0.026 1
1 198 . 24 1 1 A 20 20 ALA CA C 80 52.840 52.310 0.530 1
1 199 . 24 1 1 A 20 20 ALA CB C 80 19.050 19.759 -0.709 1
1 200 . 24 1 1 A 20 20 ALA N N 80 124.580 123.307 1.273 1
1 201 . 24 1 1 A 21 21 GLY H H 81 8.090 8.325 -0.235 1
1 202 . 24 1 1 A 21 21 GLY HA2 H 81 3.800 4.121 -0.321 1
1 203 . 24 1 1 A 21 21 GLY HA3 H 81 4.430 4.152 0.278 1
1 204 . 24 1 1 A 21 21 GLY C C 81 173.170 174.247 -1.077 1
1 205 . 24 1 1 A 21 21 GLY CA C 81 44.390 44.721 -0.331 1
1 206 . 24 1 1 A 21 21 GLY N N 81 114.000 106.268 7.732 1
1 207 . 24 1 1 A 22 22 ASN H H 82 8.690 8.702 -0.012 1
1 208 . 24 1 1 A 22 22 ASN HA H 82 4.650 4.999 -0.349 1
1 213 . 24 1 1 A 22 22 ASN C C 82 176.260 175.740 0.520 1
1 214 . 24 1 1 A 22 22 ASN CA C 82 53.580 54.437 -0.857 1
1 215 . 24 1 1 A 22 22 ASN CB C 82 39.580 41.405 -1.825 1
1 216 . 24 1 1 A 22 22 ASN N N 82 118.160 123.094 -4.934 1
1 218 . 24 1 1 A 23 23 ALA H H 83 8.720 7.729 0.991 1
1 219 . 24 1 1 A 23 23 ALA HA H 83 4.570 4.382 0.188 1
1 223 . 24 1 1 A 23 23 ALA C C 83 175.910 176.824 -0.914 1
1 224 . 24 1 1 A 23 23 ALA CA C 83 52.340 52.658 -0.318 1
1 225 . 24 1 1 A 23 23 ALA CB C 83 19.370 19.775 -0.405 1
1 226 . 24 1 1 A 23 23 ALA N N 83 125.180 121.341 3.839 1
1 227 . 24 1 1 A 24 24 SER H H 84 7.970 8.558 -0.588 1
1 228 . 24 1 1 A 24 24 SER HA H 84 5.310 5.065 0.245 1
1 230 . 24 1 1 A 24 24 SER C C 84 174.620 172.757 1.863 1
1 231 . 24 1 1 A 24 24 SER CA C 84 56.550 57.242 -0.692 1
1 232 . 24 1 1 A 24 24 SER CB C 84 66.420 66.534 -0.114 1
1 233 . 24 1 1 A 24 24 SER N N 84 112.840 115.808 -2.968 1
1 234 . 24 1 1 A 25 25 PHE H H 85 9.580 8.837 0.743 1
1 235 . 24 1 1 A 25 25 PHE HA H 85 4.320 4.550 -0.230 1
1 241 . 24 1 1 A 25 25 PHE C C 85 173.430 174.806 -1.376 1
1 242 . 24 1 1 A 25 25 PHE CA C 85 57.780 59.677 -1.897 1
1 243 . 24 1 1 A 25 25 PHE CB C 85 38.780 39.648 -0.868 1
1 247 . 24 1 1 A 25 25 PHE N N 85 125.520 126.683 -1.163 1
1 248 . 24 1 1 A 26 26 SER H H 86 6.780 8.232 -1.452 1
1 249 . 24 1 1 A 26 26 SER HA H 86 4.430 4.709 -0.279 1
1 252 . 24 1 1 A 26 26 SER C C 86 174.200 174.531 -0.331 1
1 253 . 24 1 1 A 26 26 SER CA C 86 56.610 56.414 0.196 1
1 254 . 24 1 1 A 26 26 SER CB C 86 66.010 65.578 0.432 1
1 255 . 24 1 1 A 26 26 SER N N 86 118.860 118.932 -0.072 1
1 256 . 24 1 1 A 27 27 LYS H H 87 8.710 8.822 -0.112 1
1 257 . 24 1 1 A 27 27 LYS HA H 87 3.850 3.748 0.102 1
1 263 . 24 1 1 A 27 27 LYS C C 87 178.490 178.840 -0.350 1
1 264 . 24 1 1 A 27 27 LYS CA C 87 59.390 59.235 0.155 1
1 265 . 24 1 1 A 27 27 LYS CB C 87 31.970 32.763 -0.793 1
1 269 . 24 1 1 A 27 27 LYS N N 87 121.790 118.964 2.826 1
1 270 . 24 1 1 A 28 28 ARG H H 88 8.010 7.714 0.296 1
1 271 . 24 1 1 A 28 28 ARG HA H 88 3.990 3.995 -0.005 1
1 277 . 24 1 1 A 28 28 ARG C C 88 178.890 178.576 0.314 1
1 278 . 24 1 1 A 28 28 ARG CA C 88 59.010 58.725 0.285 1
1 279 . 24 1 1 A 28 28 ARG CB C 88 30.120 29.887 0.233 1
1 282 . 24 1 1 A 28 28 ARG N N 88 119.520 119.642 -0.122 1
1 283 . 24 1 1 A 29 29 ILE H H 89 7.350 7.395 -0.045 1
1 284 . 24 1 1 A 29 29 ILE HA H 89 3.680 3.666 0.014 1
1 294 . 24 1 1 A 29 29 ILE C C 89 177.620 177.910 -0.290 1
1 295 . 24 1 1 A 29 29 ILE CA C 89 63.170 65.113 -1.943 1
1 296 . 24 1 1 A 29 29 ILE CB C 89 36.900 36.699 0.201 1
1 300 . 24 1 1 A 29 29 ILE N N 89 121.980 119.977 2.003 1
1 301 . 24 1 1 A 30 30 GLN H H 90 7.990 7.928 0.062 1
1 302 . 24 1 1 A 30 30 GLN HA H 90 3.630 3.901 -0.271 1
1 308 . 24 1 1 A 30 30 GLN C C 90 178.320 178.468 -0.148 1
1 309 . 24 1 1 A 30 30 GLN CA C 90 59.200 59.276 -0.076 1
1 310 . 24 1 1 A 30 30 GLN CB C 90 28.700 28.094 0.606 1
1 312 . 24 1 1 A 30 30 GLN N N 90 121.020 120.774 0.246 1
1 314 . 24 1 1 A 31 31 LYS H H 91 7.990 8.065 -0.075 1
1 315 . 24 1 1 A 31 31 LYS HA H 91 4.090 4.028 0.062 1
1 321 . 24 1 1 A 31 31 LYS C C 91 178.650 178.841 -0.191 1
1 322 . 24 1 1 A 31 31 LYS CA C 91 58.720 59.135 -0.415 1
1 323 . 24 1 1 A 31 31 LYS CB C 91 32.220 32.011 0.209 1
1 327 . 24 1 1 A 31 31 LYS N N 91 119.520 118.715 0.805 1
1 328 . 24 1 1 A 32 32 SER H H 92 7.770 7.676 0.094 1
1 329 . 24 1 1 A 32 32 SER HA H 92 4.320 4.220 0.100 1
1 332 . 24 1 1 A 32 32 SER C C 92 176.110 177.392 -1.282 1
1 333 . 24 1 1 A 32 32 SER CA C 92 61.260 61.541 -0.281 1
1 334 . 24 1 1 A 32 32 SER CB C 92 63.610 62.882 0.728 1
1 335 . 24 1 1 A 32 32 SER N N 92 116.310 114.684 1.626 1
1 336 . 24 1 1 A 33 33 ILE H H 93 7.960 7.772 0.188 1
1 337 . 24 1 1 A 33 33 ILE HA H 93 3.920 3.551 0.369 1
1 347 . 24 1 1 A 33 33 ILE C C 93 177.480 178.135 -0.655 1
1 348 . 24 1 1 A 33 33 ILE CA C 93 63.610 65.158 -1.548 1
1 349 . 24 1 1 A 33 33 ILE CB C 93 38.330 37.294 1.036 1
1 353 . 24 1 1 A 33 33 ILE N N 93 119.950 122.217 -2.267 1
1 354 . 24 1 1 A 34 34 SER H H 94 7.970 8.258 -0.288 1
1 355 . 24 1 1 A 34 34 SER HA H 94 4.390 4.016 0.374 1
1 357 . 24 1 1 A 34 34 SER C C 94 176.490 177.369 -0.879 1
1 358 . 24 1 1 A 34 34 SER CA C 94 60.560 61.627 -1.067 1
1 359 . 24 1 1 A 34 34 SER CB C 94 63.130 62.916 0.214 1
1 360 . 24 1 1 A 34 34 SER N N 94 117.230 115.419 1.811 1
1 361 . 24 1 1 A 35 35 GLN H H 95 8.220 8.127 0.093 1
1 362 . 24 1 1 A 35 35 GLN HA H 95 4.260 4.024 0.236 1
1 369 . 24 1 1 A 35 35 GLN C C 95 177.050 177.555 -0.505 1
1 370 . 24 1 1 A 35 35 GLN CA C 95 57.360 58.768 -1.408 1
1 371 . 24 1 1 A 35 35 GLN CB C 95 28.900 28.484 0.416 1
1 373 . 24 1 1 A 35 35 GLN N N 95 121.530 121.519 0.011 1
1 375 . 24 1 1 A 36 36 LYS H H 96 7.870 7.499 0.371 1
1 376 . 24 1 1 A 36 36 LYS HA H 96 4.280 4.328 -0.048 1
1 383 . 24 1 1 A 36 36 LYS C C 96 176.160 176.468 -0.308 1
1 384 . 24 1 1 A 36 36 LYS CA C 96 56.570 56.868 -0.298 1
1 385 . 24 1 1 A 36 36 LYS CB C 96 33.600 33.286 0.314 1
1 389 . 24 1 1 A 36 36 LYS N N 96 118.550 117.047 1.503 1
1 390 . 24 1 1 A 37 37 LYS H H 97 8.110 8.805 -0.695 1
1 391 . 24 1 1 A 37 37 LYS HA H 97 4.110 3.961 0.149 1
1 396 . 24 1 1 A 37 37 LYS C C 97 176.210 175.489 0.721 1
1 397 . 24 1 1 A 37 37 LYS CA C 97 57.230 57.127 0.103 1
1 398 . 24 1 1 A 37 37 LYS CB C 97 30.580 30.940 -0.360 1
1 402 . 24 1 1 A 37 37 LYS N N 97 117.680 119.259 -1.579 1
1 403 . 24 1 1 A 38 38 VAL H H 98 7.430 7.723 -0.293 1
1 404 . 24 1 1 A 38 38 VAL HA H 98 4.350 4.683 -0.333 1
1 412 . 24 1 1 A 38 38 VAL C C 98 175.830 175.400 0.430 1
1 413 . 24 1 1 A 38 38 VAL CA C 98 60.580 59.629 0.951 1
1 414 . 24 1 1 A 38 38 VAL CB C 98 33.410 34.289 -0.879 1
1 417 . 24 1 1 A 38 38 VAL N N 98 115.860 114.168 1.692 1
1 418 . 24 1 1 A 39 39 LYS H H 99 8.960 8.479 0.481 1
1 419 . 24 1 1 A 39 39 LYS HA H 99 4.430 4.437 -0.007 1
1 425 . 24 1 1 A 39 39 LYS C C 99 175.700 174.601 1.099 1
1 426 . 24 1 1 A 39 39 LYS CA C 99 55.420 56.040 -0.620 1
1 427 . 24 1 1 A 39 39 LYS CB C 99 30.580 30.874 -0.294 1
1 431 . 24 1 1 A 39 39 LYS N N 99 127.710 119.360 8.350 1
1 432 . 24 1 1 A 40 40 ILE H H 100 7.660 7.415 0.245 1
1 433 . 24 1 1 A 40 40 ILE HA H 100 5.020 4.924 0.096 1
1 443 . 24 1 1 A 40 40 ILE C C 100 174.520 174.893 -0.373 1
1 444 . 24 1 1 A 40 40 ILE CA C 100 59.370 60.470 -1.100 1
1 445 . 24 1 1 A 40 40 ILE CB C 100 40.650 40.148 0.502 1
1 449 . 24 1 1 A 40 40 ILE N N 100 123.140 121.718 1.422 1
1 450 . 24 1 1 A 41 41 GLU H H 101 8.490 8.961 -0.471 1
1 451 . 24 1 1 A 41 41 GLU HA H 101 4.620 5.026 -0.406 1
1 456 . 24 1 1 A 41 41 GLU C C 101 173.590 174.639 -1.049 1
1 457 . 24 1 1 A 41 41 GLU CA C 101 53.740 54.463 -0.723 1
1 458 . 24 1 1 A 41 41 GLU CB C 101 34.580 33.621 0.959 1
1 460 . 24 1 1 A 41 41 GLU N N 101 123.460 124.659 -1.199 1
1 461 . 24 1 1 A 42 42 LEU H H 102 8.490 8.240 0.250 1
1 462 . 24 1 1 A 42 42 LEU HA H 102 3.790 4.062 -0.272 1
1 472 . 24 1 1 A 42 42 LEU C C 102 176.440 175.579 0.861 1
1 473 . 24 1 1 A 42 42 LEU CA C 102 55.190 55.614 -0.424 1
1 474 . 24 1 1 A 42 42 LEU CB C 102 43.100 42.658 0.442 1
1 478 . 24 1 1 A 42 42 LEU N N 102 123.470 125.042 -1.572 1
1 479 . 24 1 1 A 43 43 ASP H H 103 8.770 7.852 0.918 1
1 480 . 24 1 1 A 43 43 ASP HA H 103 4.520 4.796 -0.276 1
1 483 . 24 1 1 A 43 43 ASP C C 103 177.600 176.884 0.716 1
1 484 . 24 1 1 A 43 43 ASP CA C 103 53.740 54.005 -0.265 1
1 485 . 24 1 1 A 43 43 ASP CB C 103 41.880 42.689 -0.809 1
1 486 . 24 1 1 A 43 43 ASP N N 103 127.210 125.361 1.849 1
1 487 . 24 1 1 A 44 44 LYS H H 104 8.910 9.250 -0.340 1
1 488 . 24 1 1 A 44 44 LYS HA H 104 3.920 4.190 -0.270 1
1 495 . 24 1 1 A 44 44 LYS C C 104 177.340 178.755 -1.415 1
1 496 . 24 1 1 A 44 44 LYS CA C 104 58.930 57.754 1.176 1
1 497 . 24 1 1 A 44 44 LYS CB C 104 32.000 32.274 -0.274 1
1 501 . 24 1 1 A 44 44 LYS N N 104 129.080 127.553 1.527 1
1 502 . 24 1 1 A 45 45 SER H H 105 8.740 7.493 1.247 1
1 503 . 24 1 1 A 45 45 SER HA H 105 4.370 4.322 0.048 1
1 506 . 24 1 1 A 45 45 SER C C 105 175.040 175.070 -0.030 1
1 507 . 24 1 1 A 45 45 SER CA C 105 59.150 59.786 -0.636 1
1 508 . 24 1 1 A 45 45 SER CB C 105 63.830 62.665 1.165 1
1 509 . 24 1 1 A 45 45 SER N N 105 115.270 112.369 2.901 1
1 510 . 24 1 1 A 46 46 ALA H H 106 7.430 7.482 -0.052 1
1 511 . 24 1 1 A 46 46 ALA HA H 106 4.150 4.228 -0.078 1
1 515 . 24 1 1 A 46 46 ALA CA C 106 53.300 52.001 1.299 1
1 516 . 24 1 1 A 46 46 ALA CB C 106 19.190 20.580 -1.390 1
1 517 . 24 1 1 A 46 46 ALA N N 106 125.120 125.353 -0.233 1
1 518 . 24 1 1 A 47 47 ARG HA H 107 4.280 4.529 -0.249 1
1 526 . 24 1 1 A 48 48 HIS HA H 108 4.650 4.558 0.092 1
1 531 . 24 1 1 A 48 48 HIS C C 108 173.160 174.573 -1.413 1
1 532 . 24 1 1 A 48 48 HIS CA C 108 54.990 55.852 -0.862 1
1 533 . 24 1 1 A 48 48 HIS CB C 108 33.400 31.346 2.054 1
1 538 . 24 1 1 A 49 49 LEU H H 109 8.030 9.020 -0.990 1
1 539 . 24 1 1 A 49 49 LEU HA H 109 5.040 4.704 0.336 1
1 549 . 24 1 1 A 49 49 LEU CA C 109 54.480 54.402 0.078 1
1 550 . 24 1 1 A 49 49 LEU CB C 109 43.010 43.217 -0.207 1
1 554 . 24 1 1 A 49 49 LEU N N 109 120.130 120.042 0.088 1
1 555 . 24 1 1 A 50 50 TYR HA H 110 5.020 5.252 -0.232 1
1 560 . 24 1 1 A 50 50 TYR C C 110 176.960 175.941 1.019 1
1 561 . 24 1 1 A 50 50 TYR CA C 110 60.340 56.699 3.641 1
1 562 . 24 1 1 A 50 50 TYR CB C 110 39.210 40.738 -1.528 1
1 565 . 24 1 1 A 51 51 ILE H H 111 8.510 8.794 -0.284 1
1 566 . 24 1 1 A 51 51 ILE HA H 111 5.960 4.712 1.248 1
1 576 . 24 1 1 A 51 51 ILE C C 111 177.900 176.174 1.726 1
1 577 . 24 1 1 A 51 51 ILE CA C 111 58.100 59.744 -1.644 1
1 578 . 24 1 1 A 51 51 ILE CB C 111 41.370 40.128 1.242 1
1 582 . 24 1 1 A 51 51 ILE N N 111 115.050 121.564 -6.514 1
1 583 . 24 1 1 A 52 52 CYS H H 112 9.830 8.830 1.000 1
1 584 . 24 1 1 A 52 52 CYS HA H 112 5.000 4.842 0.158 1
1 587 . 24 1 1 A 52 52 CYS C C 112 175.420 175.708 -0.288 1
1 588 . 24 1 1 A 52 52 CYS CA C 112 57.770 57.687 0.083 1
1 589 . 24 1 1 A 52 52 CYS CB C 112 33.120 29.877 3.243 1
1 590 . 24 1 1 A 52 52 CYS N N 112 125.820 122.267 3.553 1
1 591 . 24 1 1 A 53 53 ASP H H 113 9.000 8.885 0.115 1
1 592 . 24 1 1 A 53 53 ASP HA H 113 4.510 4.353 0.157 1
1 594 . 24 1 1 A 53 53 ASP C C 113 178.140 178.024 0.116 1
1 595 . 24 1 1 A 53 53 ASP CA C 113 57.330 57.380 -0.050 1
1 596 . 24 1 1 A 53 53 ASP CB C 113 39.730 40.551 -0.821 1
1 597 . 24 1 1 A 53 53 ASP N N 113 121.960 120.398 1.562 1
1 598 . 24 1 1 A 54 54 TYR H H 114 8.220 8.144 0.076 1
1 599 . 24 1 1 A 54 54 TYR HA H 114 4.100 4.188 -0.088 1
1 604 . 24 1 1 A 54 54 TYR C C 114 178.410 177.237 1.173 1
1 605 . 24 1 1 A 54 54 TYR CA C 114 61.970 61.678 0.292 1
1 606 . 24 1 1 A 54 54 TYR CB C 114 37.150 38.731 -1.581 1
1 609 . 24 1 1 A 54 54 TYR N N 114 123.510 122.264 1.246 1
1 610 . 24 1 1 A 55 55 HIS H H 115 10.090 7.807 2.283 1
1 611 . 24 1 1 A 55 55 HIS HA H 115 4.040 4.112 -0.072 1
1 616 . 24 1 1 A 55 55 HIS C C 115 177.240 177.485 -0.245 1
1 617 . 24 1 1 A 55 55 HIS CA C 115 63.870 59.677 4.193 1
1 618 . 24 1 1 A 55 55 HIS CB C 115 29.600 29.970 -0.370 1
1 621 . 24 1 1 A 55 55 HIS N N 115 124.830 117.130 7.700 1
1 624 . 24 1 1 A 56 56 LYS H H 116 8.830 8.194 0.636 1
1 625 . 24 1 1 A 56 56 LYS HA H 116 3.720 3.869 -0.149 1
1 633 . 24 1 1 A 56 56 LYS C C 116 178.140 178.903 -0.763 1
1 634 . 24 1 1 A 56 56 LYS CA C 116 60.590 60.008 0.582 1
1 635 . 24 1 1 A 56 56 LYS CB C 116 32.230 32.498 -0.268 1
1 639 . 24 1 1 A 56 56 LYS N N 116 123.340 120.711 2.629 1
1 640 . 24 1 1 A 57 57 ASN H H 117 8.140 8.104 0.036 1
1 641 . 24 1 1 A 57 57 ASN HA H 117 4.340 4.500 -0.160 1
1 646 . 24 1 1 A 57 57 ASN C C 117 177.570 177.493 0.077 1
1 647 . 24 1 1 A 57 57 ASN CA C 117 55.890 56.180 -0.290 1
1 648 . 24 1 1 A 57 57 ASN CB C 117 38.070 38.629 -0.559 1
1 649 . 24 1 1 A 57 57 ASN N N 117 116.920 118.351 -1.431 1
1 651 . 24 1 1 A 58 58 LEU H H 118 7.890 7.769 0.121 1
1 652 . 24 1 1 A 58 58 LEU HA H 118 3.930 3.958 -0.028 1
1 662 . 24 1 1 A 58 58 LEU C C 118 179.400 178.661 0.739 1
1 663 . 24 1 1 A 58 58 LEU CA C 118 58.420 57.880 0.540 1
1 664 . 24 1 1 A 58 58 LEU CB C 118 43.170 41.613 1.557 1
1 668 . 24 1 1 A 58 58 LEU N N 118 123.590 120.078 3.512 1
1 669 . 24 1 1 A 59 59 ILE H H 119 8.360 7.669 0.691 1
1 670 . 24 1 1 A 59 59 ILE HA H 119 3.470 3.908 -0.438 1
1 680 . 24 1 1 A 59 59 ILE C C 119 177.290 177.901 -0.611 1
1 681 . 24 1 1 A 59 59 ILE CA C 119 65.260 63.882 1.378 1
1 682 . 24 1 1 A 59 59 ILE CB C 119 38.330 37.948 0.382 1
1 686 . 24 1 1 A 59 59 ILE N N 119 118.630 118.678 -0.048 1
1 687 . 24 1 1 A 60 60 GLN H H 120 7.830 8.211 -0.381 1
1 688 . 24 1 1 A 60 60 GLN HA H 120 4.130 3.953 0.177 1
1 694 . 24 1 1 A 60 60 GLN C C 120 177.240 178.049 -0.809 1
1 695 . 24 1 1 A 60 60 GLN CA C 120 57.750 59.086 -1.336 1
1 696 . 24 1 1 A 60 60 GLN CB C 120 28.910 28.183 0.727 1
1 698 . 24 1 1 A 60 60 GLN N N 120 117.840 120.087 -2.247 1
1 700 . 24 1 1 A 61 61 SER H H 121 7.790 7.567 0.223 1
1 701 . 24 1 1 A 61 61 SER HA H 121 4.300 4.677 -0.377 1
1 703 . 24 1 1 A 61 61 SER C C 121 175.650 174.860 0.790 1
1 704 . 24 1 1 A 61 61 SER CA C 121 60.090 58.616 1.474 1
1 705 . 24 1 1 A 61 61 SER CB C 121 63.570 62.856 0.714 1
1 706 . 24 1 1 A 61 61 SER N N 121 115.460 113.398 2.062 1
1 707 . 24 1 1 A 62 62 VAL H H 122 8.020 7.559 0.461 1
1 708 . 24 1 1 A 62 62 VAL HA H 122 4.020 4.161 -0.141 1
1 716 . 24 1 1 A 62 62 VAL C C 122 176.960 176.577 0.383 1
1 717 . 24 1 1 A 62 62 VAL CA C 122 63.600 63.566 0.034 1
1 718 . 24 1 1 A 62 62 VAL CB C 122 32.300 33.852 -1.552 1
1 721 . 24 1 1 A 62 62 VAL N N 122 121.600 119.684 1.916 1
1 722 . 24 1 1 A 63 63 ARG H H 123 8.130 7.808 0.322 1
1 723 . 24 1 1 A 63 63 ARG HA H 123 4.190 4.436 -0.246 1
1 729 . 24 1 1 A 63 63 ARG C C 123 176.490 174.711 1.779 1
1 730 . 24 1 1 A 63 63 ARG CA C 123 57.070 55.449 1.621 1
1 731 . 24 1 1 A 63 63 ARG CB C 123 30.780 28.830 1.950 1
1 734 . 24 1 1 A 63 63 ARG N N 123 122.770 118.277 4.493 1
1 735 . 24 1 1 A 64 64 ASN H H 124 8.210 7.884 0.326 1
1 736 . 24 1 1 A 64 64 ASN HA H 124 4.650 5.001 -0.351 1
1 741 . 24 1 1 A 64 64 ASN C C 124 175.310 173.648 1.662 1
1 742 . 24 1 1 A 64 64 ASN CA C 124 53.500 52.906 0.594 1
1 743 . 24 1 1 A 64 64 ASN CB C 124 38.840 38.674 0.166 1
1 744 . 24 1 1 A 64 64 ASN N N 124 119.350 120.759 -1.409 1
1 746 . 24 1 1 A 65 65 ARG H H 125 8.100 8.991 -0.891 1
1 747 . 24 1 1 A 65 65 ARG HA H 125 4.270 4.893 -0.623 1
1 752 . 24 1 1 A 65 65 ARG C C 125 176.310 174.722 1.588 1
1 753 . 24 1 1 A 65 65 ARG CA C 125 56.580 54.631 1.949 1
1 754 . 24 1 1 A 65 65 ARG CB C 125 30.810 31.529 -0.719 1
1 757 . 24 1 1 A 65 65 ARG N N 125 122.230 125.749 -3.519 1
1 758 . 24 1 1 A 66 66 ARG H H 126 8.260 8.799 -0.539 1
1 759 . 24 1 1 A 66 66 ARG HA H 126 4.270 4.692 -0.422 1
1 764 . 24 1 1 A 66 66 ARG C C 126 176.210 174.446 1.764 1
1 765 . 24 1 1 A 66 66 ARG CA C 126 56.190 54.932 1.258 1
1 766 . 24 1 1 A 66 66 ARG CB C 126 30.810 31.128 -0.318 1
1 769 . 24 1 1 A 66 66 ARG N N 126 122.760 126.592 -3.832 1
1 770 . 24 1 1 A 67 67 LYS H H 127 8.270 7.630 0.640 1
1 771 . 24 1 1 A 67 67 LYS HA H 127 4.260 4.649 -0.389 1
1 776 . 24 1 1 A 67 67 LYS C C 127 176.450 175.706 0.744 1
1 777 . 24 1 1 A 67 67 LYS CA C 127 56.320 55.829 0.491 1
1 778 . 24 1 1 A 67 67 LYS CB C 127 33.180 33.195 -0.015 1
1 782 . 24 1 1 A 67 67 LYS N N 127 123.620 124.061 -0.441 1
1 783 . 24 1 1 A 68 68 ARG H H 128 8.340 8.856 -0.516 1
1 784 . 24 1 1 A 68 68 ARG HA H 128 4.270 4.564 -0.294 1
1 788 . 24 1 1 A 68 68 ARG C C 128 176.250 177.477 -1.227 1
1 789 . 24 1 1 A 68 68 ARG CA C 128 56.130 56.991 -0.861 1
1 790 . 24 1 1 A 68 68 ARG CB C 128 31.060 32.569 -1.509 1
1 793 . 24 1 1 A 68 68 ARG N N 128 123.750 125.151 -1.401 1
1 794 . 24 1 1 A 69 69 LYS H H 129 8.450 8.472 -0.022 1
1 795 . 24 1 1 A 69 69 LYS HA H 129 4.250 4.454 -0.204 1
1 800 . 24 1 1 A 69 69 LYS C C 129 177.010 176.756 0.254 1
1 801 . 24 1 1 A 69 69 LYS CA C 129 57.000 56.161 0.839 1
1 802 . 24 1 1 A 69 69 LYS CB C 129 32.940 33.840 -0.900 1
1 806 . 24 1 1 A 69 69 LYS N N 129 124.580 114.698 9.882 1
1 807 . 24 1 1 A 70 70 GLY H H 130 8.500 7.408 1.092 1
1 808 . 24 1 1 A 70 70 GLY HA2 H 130 3.910 4.107 -0.197 1
1 809 . 24 1 1 A 70 70 GLY HA3 H 130 4.010 4.107 -0.097 1
1 810 . 24 1 1 A 70 70 GLY C C 130 173.360 174.081 -0.721 1
1 811 . 24 1 1 A 70 70 GLY CA C 130 45.370 45.427 -0.057 1
1 812 . 24 1 1 A 70 70 GLY N N 130 112.470 106.576 5.894 1
1 6 . 25 1 1 A 2 2 ASN HA H 62 4.610 4.885 -0.275 1
1 10 . 25 1 1 A 2 2 ASN C C 62 174.760 175.577 -0.817 1
1 11 . 25 1 1 A 2 2 ASN CA C 62 53.100 54.545 -1.445 1
1 12 . 25 1 1 A 2 2 ASN CB C 62 38.790 40.611 -1.821 1
1 14 . 25 1 1 A 3 3 ALA H H 63 8.300 7.705 0.595 1
1 15 . 25 1 1 A 3 3 ALA HA H 63 4.200 4.455 -0.255 1
1 19 . 25 1 1 A 3 3 ALA C C 63 178.180 176.589 1.591 1
1 20 . 25 1 1 A 3 3 ALA CA C 63 53.070 50.832 2.238 1
1 21 . 25 1 1 A 3 3 ALA CB C 63 18.960 19.613 -0.653 1
1 22 . 25 1 1 A 3 3 ALA N N 63 125.390 119.958 5.432 1
1 23 . 25 1 1 A 4 4 GLY H H 64 8.340 7.723 0.617 1
1 24 . 25 1 1 A 4 4 GLY HA2 H 64 3.800 4.034 -0.234 1
1 25 . 25 1 1 A 4 4 GLY HA3 H 64 3.860 4.051 -0.191 1
1 26 . 25 1 1 A 4 4 GLY C C 64 174.010 174.662 -0.652 1
1 27 . 25 1 1 A 4 4 GLY CA C 64 45.350 45.339 0.011 1
1 28 . 25 1 1 A 4 4 GLY N N 64 109.300 107.441 1.859 1
1 29 . 25 1 1 A 5 5 GLN H H 65 7.950 7.738 0.212 1
1 30 . 25 1 1 A 5 5 GLN HA H 65 4.330 4.417 -0.087 1
1 35 . 25 1 1 A 5 5 GLN C C 65 175.560 174.846 0.714 1
1 36 . 25 1 1 A 5 5 GLN CA C 65 55.400 56.081 -0.681 1
1 37 . 25 1 1 A 5 5 GLN CB C 65 29.860 30.567 -0.707 1
1 39 . 25 1 1 A 5 5 GLN N N 65 119.540 119.206 0.334 1
1 41 . 25 1 1 A 6 6 LEU H H 66 8.740 8.484 0.256 1
1 42 . 25 1 1 A 6 6 LEU HA H 66 4.610 5.096 -0.486 1
1 52 . 25 1 1 A 6 6 LEU C C 66 175.750 175.924 -0.174 1
1 53 . 25 1 1 A 6 6 LEU CA C 66 54.010 53.346 0.664 1
1 54 . 25 1 1 A 6 6 LEU CB C 66 43.490 45.183 -1.693 1
1 58 . 25 1 1 A 6 6 LEU N N 66 126.120 121.104 5.016 1
1 59 . 25 1 1 A 7 7 CYS H H 67 8.470 9.095 -0.625 1
1 60 . 25 1 1 A 7 7 CYS HA H 67 4.140 4.499 -0.359 1
1 63 . 25 1 1 A 7 7 CYS C C 67 175.320 176.114 -0.794 1
1 64 . 25 1 1 A 7 7 CYS CA C 67 60.780 60.062 0.718 1
1 65 . 25 1 1 A 7 7 CYS CB C 67 32.850 28.205 4.645 1
1 66 . 25 1 1 A 7 7 CYS N N 67 123.170 123.642 -0.472 1
1 67 . 25 1 1 A 8 8 CYS H H 68 8.170 8.681 -0.511 1
1 68 . 25 1 1 A 8 8 CYS HA H 68 4.280 4.770 -0.490 1
1 72 . 25 1 1 A 8 8 CYS C C 68 172.410 173.246 -0.836 1
1 73 . 25 1 1 A 8 8 CYS CA C 68 58.920 58.474 0.446 1
1 74 . 25 1 1 A 8 8 CYS CB C 68 28.920 28.077 0.843 1
1 75 . 25 1 1 A 8 8 CYS N N 68 124.700 123.847 0.853 1
1 76 . 25 1 1 A 9 9 LEU H H 69 8.180 7.198 0.982 1
1 77 . 25 1 1 A 9 9 LEU HA H 69 4.580 4.702 -0.122 1
1 87 . 25 1 1 A 9 9 LEU C C 69 176.770 176.107 0.663 1
1 88 . 25 1 1 A 9 9 LEU CA C 69 54.760 53.135 1.625 1
1 89 . 25 1 1 A 9 9 LEU CB C 69 43.150 45.529 -2.379 1
1 93 . 25 1 1 A 9 9 LEU N N 69 122.650 122.854 -0.204 1
1 94 . 25 1 1 A 10 10 ARG H H 70 8.880 8.694 0.186 1
1 95 . 25 1 1 A 10 10 ARG HA H 70 4.770 5.475 -0.705 1
1 102 . 25 1 1 A 10 10 ARG C C 70 174.900 174.229 0.671 1
1 103 . 25 1 1 A 10 10 ARG CA C 70 54.710 54.315 0.395 1
1 104 . 25 1 1 A 10 10 ARG CB C 70 33.390 32.155 1.235 1
1 107 . 25 1 1 A 10 10 ARG N N 70 117.650 120.680 -3.030 1
1 108 . 25 1 1 A 11 11 GLU H H 71 8.640 8.966 -0.326 1
1 109 . 25 1 1 A 11 11 GLU HA H 71 5.090 4.760 0.330 1
1 113 . 25 1 1 A 11 11 GLU C C 71 176.070 175.600 0.470 1
1 114 . 25 1 1 A 11 11 GLU CA C 71 54.270 55.386 -1.116 1
1 115 . 25 1 1 A 11 11 GLU CB C 71 32.460 31.090 1.370 1
1 117 . 25 1 1 A 11 11 GLU N N 71 123.910 126.225 -2.315 1
1 118 . 25 1 1 A 12 12 ASP H H 72 9.510 9.150 0.360 1
1 119 . 25 1 1 A 12 12 ASP HA H 72 4.270 4.510 -0.240 1
1 122 . 25 1 1 A 12 12 ASP C C 72 175.890 176.439 -0.549 1
1 123 . 25 1 1 A 12 12 ASP CA C 72 55.880 55.404 0.476 1
1 124 . 25 1 1 A 12 12 ASP CB C 72 39.910 39.679 0.231 1
1 125 . 25 1 1 A 12 12 ASP N N 72 129.440 128.070 1.370 1
1 126 . 25 1 1 A 13 13 GLY H H 73 8.970 8.611 0.359 1
1 127 . 25 1 1 A 13 13 GLY HA2 H 73 3.520 3.848 -0.328 1
1 128 . 25 1 1 A 13 13 GLY HA3 H 73 4.200 3.851 0.349 1
1 129 . 25 1 1 A 13 13 GLY C C 73 173.960 173.877 0.083 1
1 130 . 25 1 1 A 13 13 GLY CA C 73 45.350 45.383 -0.033 1
1 131 . 25 1 1 A 13 13 GLY N N 73 103.500 103.759 -0.259 1
1 132 . 25 1 1 A 14 14 GLU H H 74 7.660 7.510 0.150 1
1 133 . 25 1 1 A 14 14 GLU HA H 74 4.640 4.503 0.137 1
1 138 . 25 1 1 A 14 14 GLU C C 74 176.170 176.311 -0.141 1
1 139 . 25 1 1 A 14 14 GLU CA C 74 54.460 55.528 -1.068 1
1 140 . 25 1 1 A 14 14 GLU CB C 74 32.050 30.944 1.106 1
1 142 . 25 1 1 A 14 14 GLU N N 74 121.330 120.365 0.965 1
1 143 . 25 1 1 A 15 15 ARG H H 75 9.000 8.820 0.180 1
1 144 . 25 1 1 A 15 15 ARG HA H 75 4.120 4.556 -0.436 1
1 150 . 25 1 1 A 15 15 ARG C C 75 175.230 175.860 -0.630 1
1 151 . 25 1 1 A 15 15 ARG CA C 75 56.640 55.191 1.449 1
1 152 . 25 1 1 A 15 15 ARG CB C 75 29.720 28.582 1.138 1
1 155 . 25 1 1 A 15 15 ARG N N 75 127.990 124.383 3.607 1
1 156 . 25 1 1 A 16 16 CYS H H 76 8.870 8.717 0.153 1
1 157 . 25 1 1 A 16 16 CYS HA H 76 4.170 4.285 -0.115 1
1 160 . 25 1 1 A 16 16 CYS CA C 76 61.840 60.962 0.878 1
1 161 . 25 1 1 A 16 16 CYS CB C 76 31.150 27.978 3.172 1
1 162 . 25 1 1 A 16 16 CYS N N 76 131.840 116.909 14.931 1
1 163 . 25 1 1 A 17 17 GLY H H 77 8.530 9.041 -0.511 1
1 164 . 25 1 1 A 17 17 GLY HA2 H 77 3.680 3.904 -0.224 1
1 165 . 25 1 1 A 17 17 GLY HA3 H 77 4.340 3.921 0.419 1
1 166 . 25 1 1 A 17 17 GLY C C 77 174.620 173.738 0.882 1
1 167 . 25 1 1 A 17 17 GLY CA C 77 45.110 45.141 -0.031 1
1 168 . 25 1 1 A 17 17 GLY N N 77 111.930 108.758 3.172 1
1 169 . 25 1 1 A 18 18 ARG H H 78 8.960 7.931 1.029 1
1 170 . 25 1 1 A 18 18 ARG HA H 78 4.290 4.442 -0.152 1
1 177 . 25 1 1 A 18 18 ARG C C 78 175.270 175.132 0.138 1
1 178 . 25 1 1 A 18 18 ARG CA C 78 56.350 55.425 0.925 1
1 179 . 25 1 1 A 18 18 ARG CB C 78 31.310 31.824 -0.514 1
1 182 . 25 1 1 A 18 18 ARG N N 78 124.390 122.104 2.286 1
1 183 . 25 1 1 A 19 19 ALA H H 79 8.340 8.524 -0.184 1
1 184 . 25 1 1 A 19 19 ALA HA H 79 4.170 4.710 -0.540 1
1 188 . 25 1 1 A 19 19 ALA C C 79 177.620 177.311 0.309 1
1 189 . 25 1 1 A 19 19 ALA CA C 79 52.710 51.586 1.124 1
1 190 . 25 1 1 A 19 19 ALA CB C 79 18.710 19.449 -0.739 1
1 191 . 25 1 1 A 19 19 ALA N N 79 123.880 126.068 -2.188 1
1 192 . 25 1 1 A 20 20 ALA H H 80 8.470 8.461 0.009 1
1 193 . 25 1 1 A 20 20 ALA HA H 80 3.540 4.502 -0.962 1
1 197 . 25 1 1 A 20 20 ALA C C 80 177.560 177.805 -0.245 1
1 198 . 25 1 1 A 20 20 ALA CA C 80 52.840 51.992 0.848 1
1 199 . 25 1 1 A 20 20 ALA CB C 80 19.050 19.564 -0.514 1
1 200 . 25 1 1 A 20 20 ALA N N 80 124.580 123.393 1.187 1
1 201 . 25 1 1 A 21 21 GLY H H 81 8.090 8.900 -0.810 1
1 202 . 25 1 1 A 21 21 GLY HA2 H 81 3.800 4.125 -0.325 1
1 203 . 25 1 1 A 21 21 GLY HA3 H 81 4.430 4.156 0.274 1
1 204 . 25 1 1 A 21 21 GLY C C 81 173.170 174.640 -1.470 1
1 205 . 25 1 1 A 21 21 GLY CA C 81 44.390 44.579 -0.189 1
1 206 . 25 1 1 A 21 21 GLY N N 81 114.000 107.710 6.290 1
1 207 . 25 1 1 A 22 22 ASN H H 82 8.690 8.632 0.058 1
1 208 . 25 1 1 A 22 22 ASN HA H 82 4.650 4.806 -0.156 1
1 213 . 25 1 1 A 22 22 ASN C C 82 176.260 175.849 0.411 1
1 214 . 25 1 1 A 22 22 ASN CA C 82 53.580 54.084 -0.504 1
1 215 . 25 1 1 A 22 22 ASN CB C 82 39.580 39.924 -0.344 1
1 216 . 25 1 1 A 22 22 ASN N N 82 118.160 122.663 -4.503 1
1 218 . 25 1 1 A 23 23 ALA H H 83 8.720 7.525 1.195 1
1 219 . 25 1 1 A 23 23 ALA HA H 83 4.570 4.385 0.185 1
1 223 . 25 1 1 A 23 23 ALA C C 83 175.910 176.612 -0.702 1
1 224 . 25 1 1 A 23 23 ALA CA C 83 52.340 52.613 -0.273 1
1 225 . 25 1 1 A 23 23 ALA CB C 83 19.370 19.818 -0.448 1
1 226 . 25 1 1 A 23 23 ALA N N 83 125.180 121.773 3.407 1
1 227 . 25 1 1 A 24 24 SER H H 84 7.970 8.641 -0.671 1
1 228 . 25 1 1 A 24 24 SER HA H 84 5.310 4.867 0.443 1
1 230 . 25 1 1 A 24 24 SER C C 84 174.620 173.026 1.594 1
1 231 . 25 1 1 A 24 24 SER CA C 84 56.550 57.719 -1.169 1
1 232 . 25 1 1 A 24 24 SER CB C 84 66.420 66.360 0.060 1
1 233 . 25 1 1 A 24 24 SER N N 84 112.840 114.870 -2.030 1
1 234 . 25 1 1 A 25 25 PHE H H 85 9.580 8.865 0.715 1
1 235 . 25 1 1 A 25 25 PHE HA H 85 4.320 4.483 -0.163 1
1 241 . 25 1 1 A 25 25 PHE C C 85 173.430 175.006 -1.576 1
1 242 . 25 1 1 A 25 25 PHE CA C 85 57.780 59.877 -2.097 1
1 243 . 25 1 1 A 25 25 PHE CB C 85 38.780 39.654 -0.874 1
1 247 . 25 1 1 A 25 25 PHE N N 85 125.520 127.526 -2.006 1
1 248 . 25 1 1 A 26 26 SER H H 86 6.780 8.149 -1.369 1
1 249 . 25 1 1 A 26 26 SER HA H 86 4.430 4.888 -0.458 1
1 252 . 25 1 1 A 26 26 SER C C 86 174.200 174.836 -0.636 1
1 253 . 25 1 1 A 26 26 SER CA C 86 56.610 55.913 0.697 1
1 254 . 25 1 1 A 26 26 SER CB C 86 66.010 66.150 -0.140 1
1 255 . 25 1 1 A 26 26 SER N N 86 118.860 118.826 0.034 1
1 256 . 25 1 1 A 27 27 LYS H H 87 8.710 8.776 -0.066 1
1 257 . 25 1 1 A 27 27 LYS HA H 87 3.850 3.756 0.094 1
1 263 . 25 1 1 A 27 27 LYS C C 87 178.490 178.823 -0.333 1
1 264 . 25 1 1 A 27 27 LYS CA C 87 59.390 59.322 0.068 1
1 265 . 25 1 1 A 27 27 LYS CB C 87 31.970 32.774 -0.804 1
1 269 . 25 1 1 A 27 27 LYS N N 87 121.790 119.456 2.334 1
1 270 . 25 1 1 A 28 28 ARG H H 88 8.010 7.766 0.244 1
1 271 . 25 1 1 A 28 28 ARG HA H 88 3.990 3.983 0.007 1
1 277 . 25 1 1 A 28 28 ARG C C 88 178.890 178.670 0.220 1
1 278 . 25 1 1 A 28 28 ARG CA C 88 59.010 58.628 0.382 1
1 279 . 25 1 1 A 28 28 ARG CB C 88 30.120 30.078 0.042 1
1 282 . 25 1 1 A 28 28 ARG N N 88 119.520 119.629 -0.109 1
1 283 . 25 1 1 A 29 29 ILE H H 89 7.350 7.376 -0.026 1
1 284 . 25 1 1 A 29 29 ILE HA H 89 3.680 3.604 0.076 1
1 294 . 25 1 1 A 29 29 ILE C C 89 177.620 177.593 0.027 1
1 295 . 25 1 1 A 29 29 ILE CA C 89 63.170 65.191 -2.021 1
1 296 . 25 1 1 A 29 29 ILE CB C 89 36.900 37.340 -0.440 1
1 300 . 25 1 1 A 29 29 ILE N N 89 121.980 120.514 1.466 1
1 301 . 25 1 1 A 30 30 GLN H H 90 7.990 7.575 0.415 1
1 302 . 25 1 1 A 30 30 GLN HA H 90 3.630 4.006 -0.376 1
1 308 . 25 1 1 A 30 30 GLN C C 90 178.320 178.090 0.230 1
1 309 . 25 1 1 A 30 30 GLN CA C 90 59.200 59.207 -0.007 1
1 310 . 25 1 1 A 30 30 GLN CB C 90 28.700 28.260 0.440 1
1 312 . 25 1 1 A 30 30 GLN N N 90 121.020 119.865 1.155 1
1 314 . 25 1 1 A 31 31 LYS H H 91 7.990 8.320 -0.330 1
1 315 . 25 1 1 A 31 31 LYS HA H 91 4.090 4.029 0.061 1
1 321 . 25 1 1 A 31 31 LYS C C 91 178.650 178.979 -0.329 1
1 322 . 25 1 1 A 31 31 LYS CA C 91 58.720 59.247 -0.527 1
1 323 . 25 1 1 A 31 31 LYS CB C 91 32.220 32.096 0.124 1
1 327 . 25 1 1 A 31 31 LYS N N 91 119.520 118.708 0.812 1
1 328 . 25 1 1 A 32 32 SER H H 92 7.770 8.079 -0.309 1
1 329 . 25 1 1 A 32 32 SER HA H 92 4.320 4.151 0.169 1
1 332 . 25 1 1 A 32 32 SER C C 92 176.110 177.002 -0.892 1
1 333 . 25 1 1 A 32 32 SER CA C 92 61.260 61.418 -0.158 1
1 334 . 25 1 1 A 32 32 SER CB C 92 63.610 62.954 0.656 1
1 335 . 25 1 1 A 32 32 SER N N 92 116.310 113.934 2.376 1
1 336 . 25 1 1 A 33 33 ILE H H 93 7.960 7.762 0.198 1
1 337 . 25 1 1 A 33 33 ILE HA H 93 3.920 3.939 -0.019 1
1 347 . 25 1 1 A 33 33 ILE C C 93 177.480 177.839 -0.359 1
1 348 . 25 1 1 A 33 33 ILE CA C 93 63.610 62.938 0.672 1
1 349 . 25 1 1 A 33 33 ILE CB C 93 38.330 36.259 2.071 1
1 353 . 25 1 1 A 33 33 ILE N N 93 119.950 122.385 -2.435 1
1 354 . 25 1 1 A 34 34 SER H H 94 7.970 8.346 -0.376 1
1 355 . 25 1 1 A 34 34 SER HA H 94 4.390 4.019 0.371 1
1 357 . 25 1 1 A 34 34 SER C C 94 176.490 176.885 -0.395 1
1 358 . 25 1 1 A 34 34 SER CA C 94 60.560 61.626 -1.066 1
1 359 . 25 1 1 A 34 34 SER CB C 94 63.130 62.778 0.352 1
1 360 . 25 1 1 A 34 34 SER N N 94 117.230 116.448 0.782 1
1 361 . 25 1 1 A 35 35 GLN H H 95 8.220 7.935 0.285 1
1 362 . 25 1 1 A 35 35 GLN HA H 95 4.260 4.135 0.125 1
1 369 . 25 1 1 A 35 35 GLN C C 95 177.050 177.155 -0.105 1
1 370 . 25 1 1 A 35 35 GLN CA C 95 57.360 58.232 -0.872 1
1 371 . 25 1 1 A 35 35 GLN CB C 95 28.900 28.562 0.338 1
1 373 . 25 1 1 A 35 35 GLN N N 95 121.530 120.361 1.169 1
1 375 . 25 1 1 A 36 36 LYS H H 96 7.870 7.874 -0.004 1
1 376 . 25 1 1 A 36 36 LYS HA H 96 4.280 4.374 -0.094 1
1 383 . 25 1 1 A 36 36 LYS C C 96 176.160 176.691 -0.531 1
1 384 . 25 1 1 A 36 36 LYS CA C 96 56.570 56.876 -0.306 1
1 385 . 25 1 1 A 36 36 LYS CB C 96 33.600 33.620 -0.020 1
1 389 . 25 1 1 A 36 36 LYS N N 96 118.550 116.723 1.827 1
1 390 . 25 1 1 A 37 37 LYS H H 97 8.110 8.910 -0.800 1
1 391 . 25 1 1 A 37 37 LYS HA H 97 4.110 3.828 0.282 1
1 396 . 25 1 1 A 37 37 LYS C C 97 176.210 175.599 0.611 1
1 397 . 25 1 1 A 37 37 LYS CA C 97 57.230 57.145 0.085 1
1 398 . 25 1 1 A 37 37 LYS CB C 97 30.580 30.543 0.037 1
1 402 . 25 1 1 A 37 37 LYS N N 97 117.680 118.587 -0.907 1
1 403 . 25 1 1 A 38 38 VAL H H 98 7.430 7.819 -0.389 1
1 404 . 25 1 1 A 38 38 VAL HA H 98 4.350 4.809 -0.459 1
1 412 . 25 1 1 A 38 38 VAL C C 98 175.830 174.863 0.967 1
1 413 . 25 1 1 A 38 38 VAL CA C 98 60.580 58.931 1.649 1
1 414 . 25 1 1 A 38 38 VAL CB C 98 33.410 34.885 -1.475 1
1 417 . 25 1 1 A 38 38 VAL N N 98 115.860 114.716 1.144 1
1 418 . 25 1 1 A 39 39 LYS H H 99 8.960 8.389 0.571 1
1 419 . 25 1 1 A 39 39 LYS HA H 99 4.430 4.398 0.032 1
1 425 . 25 1 1 A 39 39 LYS C C 99 175.700 174.554 1.146 1
1 426 . 25 1 1 A 39 39 LYS CA C 99 55.420 56.187 -0.767 1
1 427 . 25 1 1 A 39 39 LYS CB C 99 30.580 30.594 -0.014 1
1 431 . 25 1 1 A 39 39 LYS N N 99 127.710 119.693 8.017 1
1 432 . 25 1 1 A 40 40 ILE H H 100 7.660 8.112 -0.452 1
1 433 . 25 1 1 A 40 40 ILE HA H 100 5.020 4.921 0.099 1
1 443 . 25 1 1 A 40 40 ILE C C 100 174.520 174.987 -0.467 1
1 444 . 25 1 1 A 40 40 ILE CA C 100 59.370 60.664 -1.294 1
1 445 . 25 1 1 A 40 40 ILE CB C 100 40.650 40.243 0.407 1
1 449 . 25 1 1 A 40 40 ILE N N 100 123.140 123.982 -0.842 1
1 450 . 25 1 1 A 41 41 GLU H H 101 8.490 8.989 -0.499 1
1 451 . 25 1 1 A 41 41 GLU HA H 101 4.620 5.005 -0.385 1
1 456 . 25 1 1 A 41 41 GLU C C 101 173.590 174.825 -1.235 1
1 457 . 25 1 1 A 41 41 GLU CA C 101 53.740 54.529 -0.789 1
1 458 . 25 1 1 A 41 41 GLU CB C 101 34.580 33.452 1.128 1
1 460 . 25 1 1 A 41 41 GLU N N 101 123.460 124.552 -1.092 1
1 461 . 25 1 1 A 42 42 LEU H H 102 8.490 8.244 0.246 1
1 462 . 25 1 1 A 42 42 LEU HA H 102 3.790 4.179 -0.389 1
1 472 . 25 1 1 A 42 42 LEU C C 102 176.440 176.065 0.375 1
1 473 . 25 1 1 A 42 42 LEU CA C 102 55.190 55.513 -0.323 1
1 474 . 25 1 1 A 42 42 LEU CB C 102 43.100 42.455 0.645 1
1 478 . 25 1 1 A 42 42 LEU N N 102 123.470 125.735 -2.265 1
1 479 . 25 1 1 A 43 43 ASP H H 103 8.770 8.125 0.645 1
1 480 . 25 1 1 A 43 43 ASP HA H 103 4.520 4.583 -0.063 1
1 483 . 25 1 1 A 43 43 ASP C C 103 177.600 176.563 1.037 1
1 484 . 25 1 1 A 43 43 ASP CA C 103 53.740 54.621 -0.881 1
1 485 . 25 1 1 A 43 43 ASP CB C 103 41.880 41.937 -0.057 1
1 486 . 25 1 1 A 43 43 ASP N N 103 127.210 125.935 1.275 1
1 487 . 25 1 1 A 44 44 LYS H H 104 8.910 9.014 -0.104 1
1 488 . 25 1 1 A 44 44 LYS HA H 104 3.920 4.159 -0.239 1
1 495 . 25 1 1 A 44 44 LYS C C 104 177.340 178.800 -1.460 1
1 496 . 25 1 1 A 44 44 LYS CA C 104 58.930 58.375 0.555 1
1 497 . 25 1 1 A 44 44 LYS CB C 104 32.000 32.528 -0.528 1
1 501 . 25 1 1 A 44 44 LYS N N 104 129.080 127.379 1.701 1
1 502 . 25 1 1 A 45 45 SER H H 105 8.740 7.203 1.537 1
1 503 . 25 1 1 A 45 45 SER HA H 105 4.370 4.323 0.047 1
1 506 . 25 1 1 A 45 45 SER C C 105 175.040 174.943 0.097 1
1 507 . 25 1 1 A 45 45 SER CA C 105 59.150 59.385 -0.235 1
1 508 . 25 1 1 A 45 45 SER CB C 105 63.830 63.440 0.390 1
1 509 . 25 1 1 A 45 45 SER N N 105 115.270 112.860 2.410 1
1 510 . 25 1 1 A 46 46 ALA H H 106 7.430 7.381 0.049 1
1 511 . 25 1 1 A 46 46 ALA HA H 106 4.150 4.165 -0.015 1
1 515 . 25 1 1 A 46 46 ALA CA C 106 53.300 52.310 0.990 1
1 516 . 25 1 1 A 46 46 ALA CB C 106 19.190 19.881 -0.691 1
1 517 . 25 1 1 A 46 46 ALA N N 106 125.120 126.076 -0.956 1
1 518 . 25 1 1 A 47 47 ARG HA H 107 4.280 4.642 -0.362 1
1 526 . 25 1 1 A 48 48 HIS HA H 108 4.650 5.136 -0.486 1
1 531 . 25 1 1 A 48 48 HIS C C 108 173.160 174.156 -0.996 1
1 532 . 25 1 1 A 48 48 HIS CA C 108 54.990 53.651 1.339 1
1 533 . 25 1 1 A 48 48 HIS CB C 108 33.400 33.139 0.261 1
1 538 . 25 1 1 A 49 49 LEU H H 109 8.030 8.842 -0.812 1
1 539 . 25 1 1 A 49 49 LEU HA H 109 5.040 4.653 0.387 1
1 549 . 25 1 1 A 49 49 LEU CA C 109 54.480 53.817 0.663 1
1 550 . 25 1 1 A 49 49 LEU CB C 109 43.010 42.426 0.584 1
1 554 . 25 1 1 A 49 49 LEU N N 109 120.130 120.730 -0.600 1
1 555 . 25 1 1 A 50 50 TYR HA H 110 5.020 5.208 -0.188 1
1 560 . 25 1 1 A 50 50 TYR C C 110 176.960 175.895 1.065 1
1 561 . 25 1 1 A 50 50 TYR CA C 110 60.340 56.617 3.723 1
1 562 . 25 1 1 A 50 50 TYR CB C 110 39.210 40.635 -1.425 1
1 565 . 25 1 1 A 51 51 ILE H H 111 8.510 8.820 -0.310 1
1 566 . 25 1 1 A 51 51 ILE HA H 111 5.960 4.631 1.329 1
1 576 . 25 1 1 A 51 51 ILE C C 111 177.900 176.202 1.698 1
1 577 . 25 1 1 A 51 51 ILE CA C 111 58.100 59.420 -1.320 1
1 578 . 25 1 1 A 51 51 ILE CB C 111 41.370 39.763 1.607 1
1 582 . 25 1 1 A 51 51 ILE N N 111 115.050 121.265 -6.215 1
1 583 . 25 1 1 A 52 52 CYS H H 112 9.830 8.855 0.975 1
1 584 . 25 1 1 A 52 52 CYS HA H 112 5.000 4.942 0.058 1
1 587 . 25 1 1 A 52 52 CYS C C 112 175.420 175.793 -0.373 1
1 588 . 25 1 1 A 52 52 CYS CA C 112 57.770 56.961 0.809 1
1 589 . 25 1 1 A 52 52 CYS CB C 112 33.120 30.008 3.112 1
1 590 . 25 1 1 A 52 52 CYS N N 112 125.820 121.825 3.995 1
1 591 . 25 1 1 A 53 53 ASP H H 113 9.000 8.873 0.127 1
1 592 . 25 1 1 A 53 53 ASP HA H 113 4.510 4.361 0.149 1
1 594 . 25 1 1 A 53 53 ASP C C 113 178.140 178.007 0.133 1
1 595 . 25 1 1 A 53 53 ASP CA C 113 57.330 57.312 0.018 1
1 596 . 25 1 1 A 53 53 ASP CB C 113 39.730 40.526 -0.796 1
1 597 . 25 1 1 A 53 53 ASP N N 113 121.960 120.405 1.555 1
1 598 . 25 1 1 A 54 54 TYR H H 114 8.220 8.061 0.159 1
1 599 . 25 1 1 A 54 54 TYR HA H 114 4.100 4.189 -0.089 1
1 604 . 25 1 1 A 54 54 TYR C C 114 178.410 177.194 1.216 1
1 605 . 25 1 1 A 54 54 TYR CA C 114 61.970 61.676 0.294 1
1 606 . 25 1 1 A 54 54 TYR CB C 114 37.150 39.191 -2.041 1
1 609 . 25 1 1 A 54 54 TYR N N 114 123.510 122.690 0.820 1
1 610 . 25 1 1 A 55 55 HIS H H 115 10.090 7.749 2.341 1
1 611 . 25 1 1 A 55 55 HIS HA H 115 4.040 4.165 -0.125 1
1 616 . 25 1 1 A 55 55 HIS C C 115 177.240 177.476 -0.236 1
1 617 . 25 1 1 A 55 55 HIS CA C 115 63.870 59.862 4.008 1
1 618 . 25 1 1 A 55 55 HIS CB C 115 29.600 29.738 -0.138 1
1 621 . 25 1 1 A 55 55 HIS N N 115 124.830 116.942 7.888 1
1 624 . 25 1 1 A 56 56 LYS H H 116 8.830 8.185 0.645 1
1 625 . 25 1 1 A 56 56 LYS HA H 116 3.720 3.892 -0.172 1
1 633 . 25 1 1 A 56 56 LYS C C 116 178.140 179.033 -0.893 1
1 634 . 25 1 1 A 56 56 LYS CA C 116 60.590 60.012 0.578 1
1 635 . 25 1 1 A 56 56 LYS CB C 116 32.230 32.506 -0.276 1
1 639 . 25 1 1 A 56 56 LYS N N 116 123.340 120.502 2.838 1
1 640 . 25 1 1 A 57 57 ASN H H 117 8.140 8.191 -0.051 1
1 641 . 25 1 1 A 57 57 ASN HA H 117 4.340 4.486 -0.146 1
1 646 . 25 1 1 A 57 57 ASN C C 117 177.570 177.473 0.097 1
1 647 . 25 1 1 A 57 57 ASN CA C 117 55.890 56.048 -0.158 1
1 648 . 25 1 1 A 57 57 ASN CB C 117 38.070 38.582 -0.512 1
1 649 . 25 1 1 A 57 57 ASN N N 117 116.920 118.273 -1.353 1
1 651 . 25 1 1 A 58 58 LEU H H 118 7.890 7.630 0.260 1
1 652 . 25 1 1 A 58 58 LEU HA H 118 3.930 3.939 -0.009 1
1 662 . 25 1 1 A 58 58 LEU C C 118 179.400 178.870 0.530 1
1 663 . 25 1 1 A 58 58 LEU CA C 118 58.420 57.971 0.449 1
1 664 . 25 1 1 A 58 58 LEU CB C 118 43.170 41.553 1.617 1
1 668 . 25 1 1 A 58 58 LEU N N 118 123.590 119.948 3.642 1
1 669 . 25 1 1 A 59 59 ILE H H 119 8.360 8.063 0.297 1
1 670 . 25 1 1 A 59 59 ILE HA H 119 3.470 3.918 -0.448 1
1 680 . 25 1 1 A 59 59 ILE C C 119 177.290 178.051 -0.761 1
1 681 . 25 1 1 A 59 59 ILE CA C 119 65.260 64.067 1.193 1
1 682 . 25 1 1 A 59 59 ILE CB C 119 38.330 37.858 0.472 1
1 686 . 25 1 1 A 59 59 ILE N N 119 118.630 119.090 -0.460 1
1 687 . 25 1 1 A 60 60 GLN H H 120 7.830 8.407 -0.577 1
1 688 . 25 1 1 A 60 60 GLN HA H 120 4.130 4.013 0.117 1
1 694 . 25 1 1 A 60 60 GLN C C 120 177.240 178.123 -0.883 1
1 695 . 25 1 1 A 60 60 GLN CA C 120 57.750 59.127 -1.377 1
1 696 . 25 1 1 A 60 60 GLN CB C 120 28.910 28.040 0.870 1
1 698 . 25 1 1 A 60 60 GLN N N 120 117.840 119.956 -2.116 1
1 700 . 25 1 1 A 61 61 SER H H 121 7.790 7.685 0.105 1
1 701 . 25 1 1 A 61 61 SER HA H 121 4.300 4.874 -0.574 1
1 703 . 25 1 1 A 61 61 SER C C 121 175.650 174.683 0.967 1
1 704 . 25 1 1 A 61 61 SER CA C 121 60.090 59.375 0.715 1
1 705 . 25 1 1 A 61 61 SER CB C 121 63.570 62.679 0.891 1
1 706 . 25 1 1 A 61 61 SER N N 121 115.460 115.930 -0.470 1
1 707 . 25 1 1 A 62 62 VAL H H 122 8.020 7.268 0.752 1
1 708 . 25 1 1 A 62 62 VAL HA H 122 4.020 4.027 -0.007 1
1 716 . 25 1 1 A 62 62 VAL C C 122 176.960 177.119 -0.159 1
1 717 . 25 1 1 A 62 62 VAL CA C 122 63.600 64.364 -0.764 1
1 718 . 25 1 1 A 62 62 VAL CB C 122 32.300 32.666 -0.366 1
1 721 . 25 1 1 A 62 62 VAL N N 122 121.600 119.881 1.719 1
1 722 . 25 1 1 A 63 63 ARG H H 123 8.130 7.508 0.622 1
1 723 . 25 1 1 A 63 63 ARG HA H 123 4.190 4.529 -0.339 1
1 729 . 25 1 1 A 63 63 ARG C C 123 176.490 175.136 1.354 1
1 730 . 25 1 1 A 63 63 ARG CA C 123 57.070 55.451 1.619 1
1 731 . 25 1 1 A 63 63 ARG CB C 123 30.780 32.175 -1.395 1
1 734 . 25 1 1 A 63 63 ARG N N 123 122.770 118.982 3.788 1
1 735 . 25 1 1 A 64 64 ASN H H 124 8.210 7.384 0.826 1
1 736 . 25 1 1 A 64 64 ASN HA H 124 4.650 5.237 -0.587 1
1 741 . 25 1 1 A 64 64 ASN C C 124 175.310 173.509 1.801 1
1 742 . 25 1 1 A 64 64 ASN CA C 124 53.500 52.632 0.868 1
1 743 . 25 1 1 A 64 64 ASN CB C 124 38.840 41.537 -2.697 1
1 744 . 25 1 1 A 64 64 ASN N N 124 119.350 117.804 1.546 1
1 746 . 25 1 1 A 65 65 ARG H H 125 8.100 8.699 -0.599 1
1 747 . 25 1 1 A 65 65 ARG HA H 125 4.270 5.190 -0.920 1
1 752 . 25 1 1 A 65 65 ARG C C 125 176.310 175.135 1.175 1
1 753 . 25 1 1 A 65 65 ARG CA C 125 56.580 54.483 2.097 1
1 754 . 25 1 1 A 65 65 ARG CB C 125 30.810 33.846 -3.036 1
1 757 . 25 1 1 A 65 65 ARG N N 125 122.230 123.827 -1.597 1
1 758 . 25 1 1 A 66 66 ARG H H 126 8.260 9.150 -0.890 1
1 759 . 25 1 1 A 66 66 ARG HA H 126 4.270 4.498 -0.228 1
1 764 . 25 1 1 A 66 66 ARG C C 126 176.210 175.332 0.878 1
1 765 . 25 1 1 A 66 66 ARG CA C 126 56.190 57.396 -1.206 1
1 766 . 25 1 1 A 66 66 ARG CB C 126 30.810 32.300 -1.490 1
1 769 . 25 1 1 A 66 66 ARG N N 126 122.760 123.976 -1.216 1
1 770 . 25 1 1 A 67 67 LYS H H 127 8.270 7.985 0.285 1
1 771 . 25 1 1 A 67 67 LYS HA H 127 4.260 4.676 -0.416 1
1 776 . 25 1 1 A 67 67 LYS C C 127 176.450 175.824 0.626 1
1 777 . 25 1 1 A 67 67 LYS CA C 127 56.320 55.266 1.054 1
1 778 . 25 1 1 A 67 67 LYS CB C 127 33.180 34.190 -1.010 1
1 782 . 25 1 1 A 67 67 LYS N N 127 123.620 119.448 4.172 1
1 783 . 25 1 1 A 68 68 ARG H H 128 8.340 8.635 -0.295 1
1 784 . 25 1 1 A 68 68 ARG HA H 128 4.270 4.450 -0.180 1
1 788 . 25 1 1 A 68 68 ARG C C 128 176.250 176.604 -0.354 1
1 789 . 25 1 1 A 68 68 ARG CA C 128 56.130 56.204 -0.074 1
1 790 . 25 1 1 A 68 68 ARG CB C 128 31.060 31.212 -0.152 1
1 793 . 25 1 1 A 68 68 ARG N N 128 123.750 125.452 -1.702 1
1 794 . 25 1 1 A 69 69 LYS H H 129 8.450 8.443 0.007 1
1 795 . 25 1 1 A 69 69 LYS HA H 129 4.250 4.496 -0.246 1
1 800 . 25 1 1 A 69 69 LYS C C 129 177.010 176.902 0.108 1
1 801 . 25 1 1 A 69 69 LYS CA C 129 57.000 56.437 0.563 1
1 802 . 25 1 1 A 69 69 LYS CB C 129 32.940 35.237 -2.297 1
1 806 . 25 1 1 A 69 69 LYS N N 129 124.580 119.250 5.330 1
1 807 . 25 1 1 A 70 70 GLY H H 130 8.500 7.498 1.002 1
1 808 . 25 1 1 A 70 70 GLY HA2 H 130 3.910 4.078 -0.168 1
1 809 . 25 1 1 A 70 70 GLY HA3 H 130 4.010 4.078 -0.068 1
1 810 . 25 1 1 A 70 70 GLY C C 130 173.360 173.520 -0.160 1
1 811 . 25 1 1 A 70 70 GLY CA C 130 45.370 45.734 -0.364 1
1 812 . 25 1 1 A 70 70 GLY N N 130 112.470 104.431 8.039 1
1 6 . 26 1 1 A 2 2 ASN HA H 62 4.610 4.853 -0.243 1
1 10 . 26 1 1 A 2 2 ASN C C 62 174.760 173.364 1.396 1
1 11 . 26 1 1 A 2 2 ASN CA C 62 53.100 53.264 -0.164 1
1 12 . 26 1 1 A 2 2 ASN CB C 62 38.790 39.230 -0.440 1
1 14 . 26 1 1 A 3 3 ALA H H 63 8.300 7.726 0.574 1
1 15 . 26 1 1 A 3 3 ALA HA H 63 4.200 4.603 -0.403 1
1 19 . 26 1 1 A 3 3 ALA C C 63 178.180 177.564 0.616 1
1 20 . 26 1 1 A 3 3 ALA CA C 63 53.070 50.996 2.074 1
1 21 . 26 1 1 A 3 3 ALA CB C 63 18.960 22.188 -3.228 1
1 22 . 26 1 1 A 3 3 ALA N N 63 125.390 122.227 3.163 1
1 23 . 26 1 1 A 4 4 GLY H H 64 8.340 8.783 -0.443 1
1 24 . 26 1 1 A 4 4 GLY HA2 H 64 3.800 3.854 -0.054 1
1 25 . 26 1 1 A 4 4 GLY HA3 H 64 3.860 3.865 -0.005 1
1 26 . 26 1 1 A 4 4 GLY C C 64 174.010 174.742 -0.732 1
1 27 . 26 1 1 A 4 4 GLY CA C 64 45.350 46.932 -1.582 1
1 28 . 26 1 1 A 4 4 GLY N N 64 109.300 110.925 -1.625 1
1 29 . 26 1 1 A 5 5 GLN H H 65 7.950 7.923 0.027 1
1 30 . 26 1 1 A 5 5 GLN HA H 65 4.330 4.632 -0.302 1
1 35 . 26 1 1 A 5 5 GLN C C 65 175.560 175.128 0.432 1
1 36 . 26 1 1 A 5 5 GLN CA C 65 55.400 55.289 0.111 1
1 37 . 26 1 1 A 5 5 GLN CB C 65 29.860 30.685 -0.825 1
1 39 . 26 1 1 A 5 5 GLN N N 65 119.540 118.636 0.904 1
1 41 . 26 1 1 A 6 6 LEU H H 66 8.740 8.515 0.225 1
1 42 . 26 1 1 A 6 6 LEU HA H 66 4.610 5.010 -0.400 1
1 52 . 26 1 1 A 6 6 LEU C C 66 175.750 176.185 -0.435 1
1 53 . 26 1 1 A 6 6 LEU CA C 66 54.010 53.493 0.517 1
1 54 . 26 1 1 A 6 6 LEU CB C 66 43.490 44.011 -0.521 1
1 58 . 26 1 1 A 6 6 LEU N N 66 126.120 121.421 4.699 1
1 59 . 26 1 1 A 7 7 CYS H H 67 8.470 8.771 -0.301 1
1 60 . 26 1 1 A 7 7 CYS HA H 67 4.140 4.589 -0.449 1
1 63 . 26 1 1 A 7 7 CYS C C 67 175.320 176.065 -0.745 1
1 64 . 26 1 1 A 7 7 CYS CA C 67 60.780 60.004 0.776 1
1 65 . 26 1 1 A 7 7 CYS CB C 67 32.850 28.032 4.818 1
1 66 . 26 1 1 A 7 7 CYS N N 67 123.170 121.416 1.754 1
1 67 . 26 1 1 A 8 8 CYS H H 68 8.170 8.702 -0.532 1
1 68 . 26 1 1 A 8 8 CYS HA H 68 4.280 4.776 -0.496 1
1 72 . 26 1 1 A 8 8 CYS C C 68 172.410 173.200 -0.790 1
1 73 . 26 1 1 A 8 8 CYS CA C 68 58.920 58.490 0.430 1
1 74 . 26 1 1 A 8 8 CYS CB C 68 28.920 28.267 0.653 1
1 75 . 26 1 1 A 8 8 CYS N N 68 124.700 123.290 1.410 1
1 76 . 26 1 1 A 9 9 LEU H H 69 8.180 7.172 1.008 1
1 77 . 26 1 1 A 9 9 LEU HA H 69 4.580 4.760 -0.180 1
1 87 . 26 1 1 A 9 9 LEU C C 69 176.770 175.951 0.819 1
1 88 . 26 1 1 A 9 9 LEU CA C 69 54.760 53.228 1.532 1
1 89 . 26 1 1 A 9 9 LEU CB C 69 43.150 45.476 -2.326 1
1 93 . 26 1 1 A 9 9 LEU N N 69 122.650 122.422 0.228 1
1 94 . 26 1 1 A 10 10 ARG H H 70 8.880 8.593 0.287 1
1 95 . 26 1 1 A 10 10 ARG HA H 70 4.770 5.502 -0.732 1
1 102 . 26 1 1 A 10 10 ARG C C 70 174.900 174.361 0.539 1
1 103 . 26 1 1 A 10 10 ARG CA C 70 54.710 54.316 0.394 1
1 104 . 26 1 1 A 10 10 ARG CB C 70 33.390 32.355 1.035 1
1 107 . 26 1 1 A 10 10 ARG N N 70 117.650 120.072 -2.422 1
1 108 . 26 1 1 A 11 11 GLU H H 71 8.640 8.955 -0.315 1
1 109 . 26 1 1 A 11 11 GLU HA H 71 5.090 4.545 0.545 1
1 113 . 26 1 1 A 11 11 GLU C C 71 176.070 175.960 0.110 1
1 114 . 26 1 1 A 11 11 GLU CA C 71 54.270 55.533 -1.263 1
1 115 . 26 1 1 A 11 11 GLU CB C 71 32.460 30.824 1.636 1
1 117 . 26 1 1 A 11 11 GLU N N 71 123.910 125.365 -1.455 1
1 118 . 26 1 1 A 12 12 ASP H H 72 9.510 9.322 0.188 1
1 119 . 26 1 1 A 12 12 ASP HA H 72 4.270 4.381 -0.111 1
1 122 . 26 1 1 A 12 12 ASP C C 72 175.890 176.167 -0.277 1
1 123 . 26 1 1 A 12 12 ASP CA C 72 55.880 55.346 0.534 1
1 124 . 26 1 1 A 12 12 ASP CB C 72 39.910 39.207 0.703 1
1 125 . 26 1 1 A 12 12 ASP N N 72 129.440 127.976 1.464 1
1 126 . 26 1 1 A 13 13 GLY H H 73 8.970 8.291 0.679 1
1 127 . 26 1 1 A 13 13 GLY HA2 H 73 3.520 3.968 -0.448 1
1 128 . 26 1 1 A 13 13 GLY HA3 H 73 4.200 3.972 0.228 1
1 129 . 26 1 1 A 13 13 GLY C C 73 173.960 174.027 -0.067 1
1 130 . 26 1 1 A 13 13 GLY CA C 73 45.350 45.148 0.202 1
1 131 . 26 1 1 A 13 13 GLY N N 73 103.500 105.102 -1.602 1
1 132 . 26 1 1 A 14 14 GLU H H 74 7.660 7.825 -0.165 1
1 133 . 26 1 1 A 14 14 GLU HA H 74 4.640 4.480 0.160 1
1 138 . 26 1 1 A 14 14 GLU C C 74 176.170 176.528 -0.358 1
1 139 . 26 1 1 A 14 14 GLU CA C 74 54.460 55.663 -1.203 1
1 140 . 26 1 1 A 14 14 GLU CB C 74 32.050 30.655 1.395 1
1 142 . 26 1 1 A 14 14 GLU N N 74 121.330 120.400 0.930 1
1 143 . 26 1 1 A 15 15 ARG H H 75 9.000 8.949 0.051 1
1 144 . 26 1 1 A 15 15 ARG HA H 75 4.120 4.515 -0.395 1
1 150 . 26 1 1 A 15 15 ARG C C 75 175.230 175.846 -0.616 1
1 151 . 26 1 1 A 15 15 ARG CA C 75 56.640 54.988 1.652 1
1 152 . 26 1 1 A 15 15 ARG CB C 75 29.720 28.280 1.440 1
1 155 . 26 1 1 A 15 15 ARG N N 75 127.990 124.018 3.972 1
1 156 . 26 1 1 A 16 16 CYS H H 76 8.870 8.728 0.142 1
1 157 . 26 1 1 A 16 16 CYS HA H 76 4.170 4.318 -0.148 1
1 160 . 26 1 1 A 16 16 CYS CA C 76 61.840 61.400 0.440 1
1 161 . 26 1 1 A 16 16 CYS CB C 76 31.150 28.014 3.136 1
1 162 . 26 1 1 A 16 16 CYS N N 76 131.840 119.707 12.133 1
1 163 . 26 1 1 A 17 17 GLY H H 77 8.530 7.972 0.558 1
1 164 . 26 1 1 A 17 17 GLY HA2 H 77 3.680 3.988 -0.308 1
1 165 . 26 1 1 A 17 17 GLY HA3 H 77 4.340 4.007 0.333 1
1 166 . 26 1 1 A 17 17 GLY C C 77 174.620 174.184 0.436 1
1 167 . 26 1 1 A 17 17 GLY CA C 77 45.110 45.054 0.056 1
1 168 . 26 1 1 A 17 17 GLY N N 77 111.930 108.268 3.662 1
1 169 . 26 1 1 A 18 18 ARG H H 78 8.960 7.894 1.066 1
1 170 . 26 1 1 A 18 18 ARG HA H 78 4.290 4.481 -0.191 1
1 177 . 26 1 1 A 18 18 ARG C C 78 175.270 175.872 -0.602 1
1 178 . 26 1 1 A 18 18 ARG CA C 78 56.350 55.341 1.009 1
1 179 . 26 1 1 A 18 18 ARG CB C 78 31.310 31.762 -0.452 1
1 182 . 26 1 1 A 18 18 ARG N N 78 124.390 122.015 2.375 1
1 183 . 26 1 1 A 19 19 ALA H H 79 8.340 8.499 -0.159 1
1 184 . 26 1 1 A 19 19 ALA HA H 79 4.170 4.715 -0.545 1
1 188 . 26 1 1 A 19 19 ALA C C 79 177.620 177.457 0.163 1
1 189 . 26 1 1 A 19 19 ALA CA C 79 52.710 51.991 0.719 1
1 190 . 26 1 1 A 19 19 ALA CB C 79 18.710 19.057 -0.347 1
1 191 . 26 1 1 A 19 19 ALA N N 79 123.880 126.453 -2.573 1
1 192 . 26 1 1 A 20 20 ALA H H 80 8.470 8.756 -0.286 1
1 193 . 26 1 1 A 20 20 ALA HA H 80 3.540 4.858 -1.318 1
1 197 . 26 1 1 A 20 20 ALA C C 80 177.560 177.766 -0.206 1
1 198 . 26 1 1 A 20 20 ALA CA C 80 52.840 51.332 1.508 1
1 199 . 26 1 1 A 20 20 ALA CB C 80 19.050 19.754 -0.704 1
1 200 . 26 1 1 A 20 20 ALA N N 80 124.580 123.251 1.329 1
1 201 . 26 1 1 A 21 21 GLY H H 81 8.090 8.666 -0.576 1
1 202 . 26 1 1 A 21 21 GLY HA2 H 81 3.800 4.122 -0.322 1
1 203 . 26 1 1 A 21 21 GLY HA3 H 81 4.430 4.163 0.267 1
1 204 . 26 1 1 A 21 21 GLY C C 81 173.170 175.064 -1.894 1
1 205 . 26 1 1 A 21 21 GLY CA C 81 44.390 44.350 0.040 1
1 206 . 26 1 1 A 21 21 GLY N N 81 114.000 109.454 4.546 1
1 207 . 26 1 1 A 22 22 ASN H H 82 8.690 8.745 -0.055 1
1 208 . 26 1 1 A 22 22 ASN HA H 82 4.650 4.694 -0.044 1
1 213 . 26 1 1 A 22 22 ASN C C 82 176.260 175.467 0.793 1
1 214 . 26 1 1 A 22 22 ASN CA C 82 53.580 53.743 -0.163 1
1 215 . 26 1 1 A 22 22 ASN CB C 82 39.580 38.650 0.930 1
1 216 . 26 1 1 A 22 22 ASN N N 82 118.160 118.854 -0.694 1
1 218 . 26 1 1 A 23 23 ALA H H 83 8.720 7.650 1.070 1
1 219 . 26 1 1 A 23 23 ALA HA H 83 4.570 4.452 0.118 1
1 223 . 26 1 1 A 23 23 ALA C C 83 175.910 176.911 -1.001 1
1 224 . 26 1 1 A 23 23 ALA CA C 83 52.340 52.489 -0.149 1
1 225 . 26 1 1 A 23 23 ALA CB C 83 19.370 20.131 -0.761 1
1 226 . 26 1 1 A 23 23 ALA N N 83 125.180 121.964 3.216 1
1 227 . 26 1 1 A 24 24 SER H H 84 7.970 8.585 -0.615 1
1 228 . 26 1 1 A 24 24 SER HA H 84 5.310 5.158 0.152 1
1 230 . 26 1 1 A 24 24 SER C C 84 174.620 172.561 2.059 1
1 231 . 26 1 1 A 24 24 SER CA C 84 56.550 57.256 -0.706 1
1 232 . 26 1 1 A 24 24 SER CB C 84 66.420 66.302 0.118 1
1 233 . 26 1 1 A 24 24 SER N N 84 112.840 116.082 -3.242 1
1 234 . 26 1 1 A 25 25 PHE H H 85 9.580 8.874 0.706 1
1 235 . 26 1 1 A 25 25 PHE HA H 85 4.320 4.749 -0.429 1
1 241 . 26 1 1 A 25 25 PHE C C 85 173.430 174.781 -1.351 1
1 242 . 26 1 1 A 25 25 PHE CA C 85 57.780 59.193 -1.413 1
1 243 . 26 1 1 A 25 25 PHE CB C 85 38.780 40.070 -1.290 1
1 247 . 26 1 1 A 25 25 PHE N N 85 125.520 126.585 -1.065 1
1 248 . 26 1 1 A 26 26 SER H H 86 6.780 8.034 -1.254 1
1 249 . 26 1 1 A 26 26 SER HA H 86 4.430 4.572 -0.142 1
1 252 . 26 1 1 A 26 26 SER C C 86 174.200 174.313 -0.113 1
1 253 . 26 1 1 A 26 26 SER CA C 86 56.610 56.422 0.188 1
1 254 . 26 1 1 A 26 26 SER CB C 86 66.010 65.611 0.399 1
1 255 . 26 1 1 A 26 26 SER N N 86 118.860 119.248 -0.388 1
1 256 . 26 1 1 A 27 27 LYS H H 87 8.710 8.901 -0.191 1
1 257 . 26 1 1 A 27 27 LYS HA H 87 3.850 3.751 0.099 1
1 263 . 26 1 1 A 27 27 LYS C C 87 178.490 178.920 -0.430 1
1 264 . 26 1 1 A 27 27 LYS CA C 87 59.390 59.779 -0.389 1
1 265 . 26 1 1 A 27 27 LYS CB C 87 31.970 32.490 -0.520 1
1 269 . 26 1 1 A 27 27 LYS N N 87 121.790 119.436 2.354 1
1 270 . 26 1 1 A 28 28 ARG H H 88 8.010 7.657 0.353 1
1 271 . 26 1 1 A 28 28 ARG HA H 88 3.990 4.017 -0.027 1
1 277 . 26 1 1 A 28 28 ARG C C 88 178.890 178.713 0.177 1
1 278 . 26 1 1 A 28 28 ARG CA C 88 59.010 58.635 0.375 1
1 279 . 26 1 1 A 28 28 ARG CB C 88 30.120 29.883 0.237 1
1 282 . 26 1 1 A 28 28 ARG N N 88 119.520 119.564 -0.044 1
1 283 . 26 1 1 A 29 29 ILE H H 89 7.350 8.057 -0.707 1
1 284 . 26 1 1 A 29 29 ILE HA H 89 3.680 3.661 0.019 1
1 294 . 26 1 1 A 29 29 ILE C C 89 177.620 177.710 -0.090 1
1 295 . 26 1 1 A 29 29 ILE CA C 89 63.170 65.117 -1.947 1
1 296 . 26 1 1 A 29 29 ILE CB C 89 36.900 36.935 -0.035 1
1 300 . 26 1 1 A 29 29 ILE N N 89 121.980 119.740 2.240 1
1 301 . 26 1 1 A 30 30 GLN H H 90 7.990 7.683 0.307 1
1 302 . 26 1 1 A 30 30 GLN HA H 90 3.630 4.037 -0.407 1
1 308 . 26 1 1 A 30 30 GLN C C 90 178.320 178.437 -0.117 1
1 309 . 26 1 1 A 30 30 GLN CA C 90 59.200 59.225 -0.025 1
1 310 . 26 1 1 A 30 30 GLN CB C 90 28.700 28.320 0.380 1
1 312 . 26 1 1 A 30 30 GLN N N 90 121.020 120.568 0.452 1
1 314 . 26 1 1 A 31 31 LYS H H 91 7.990 8.263 -0.273 1
1 315 . 26 1 1 A 31 31 LYS HA H 91 4.090 4.032 0.058 1
1 321 . 26 1 1 A 31 31 LYS C C 91 178.650 179.068 -0.418 1
1 322 . 26 1 1 A 31 31 LYS CA C 91 58.720 59.146 -0.426 1
1 323 . 26 1 1 A 31 31 LYS CB C 91 32.220 32.014 0.206 1
1 327 . 26 1 1 A 31 31 LYS N N 91 119.520 118.524 0.996 1
1 328 . 26 1 1 A 32 32 SER H H 92 7.770 8.180 -0.410 1
1 329 . 26 1 1 A 32 32 SER HA H 92 4.320 4.211 0.109 1
1 332 . 26 1 1 A 32 32 SER C C 92 176.110 177.142 -1.032 1
1 333 . 26 1 1 A 32 32 SER CA C 92 61.260 61.434 -0.174 1
1 334 . 26 1 1 A 32 32 SER CB C 92 63.610 62.831 0.779 1
1 335 . 26 1 1 A 32 32 SER N N 92 116.310 114.449 1.861 1
1 336 . 26 1 1 A 33 33 ILE H H 93 7.960 7.953 0.007 1
1 337 . 26 1 1 A 33 33 ILE HA H 93 3.920 3.821 0.099 1
1 347 . 26 1 1 A 33 33 ILE C C 93 177.480 177.847 -0.367 1
1 348 . 26 1 1 A 33 33 ILE CA C 93 63.610 63.797 -0.187 1
1 349 . 26 1 1 A 33 33 ILE CB C 93 38.330 36.460 1.870 1
1 353 . 26 1 1 A 33 33 ILE N N 93 119.950 122.338 -2.388 1
1 354 . 26 1 1 A 34 34 SER H H 94 7.970 8.430 -0.460 1
1 355 . 26 1 1 A 34 34 SER HA H 94 4.390 4.026 0.364 1
1 357 . 26 1 1 A 34 34 SER C C 94 176.490 177.857 -1.367 1
1 358 . 26 1 1 A 34 34 SER CA C 94 60.560 61.606 -1.046 1
1 359 . 26 1 1 A 34 34 SER CB C 94 63.130 62.801 0.329 1
1 360 . 26 1 1 A 34 34 SER N N 94 117.230 116.673 0.557 1
1 361 . 26 1 1 A 35 35 GLN H H 95 8.220 7.918 0.302 1
1 362 . 26 1 1 A 35 35 GLN HA H 95 4.260 3.975 0.285 1
1 369 . 26 1 1 A 35 35 GLN C C 95 177.050 178.600 -1.550 1
1 370 . 26 1 1 A 35 35 GLN CA C 95 57.360 59.287 -1.927 1
1 371 . 26 1 1 A 35 35 GLN CB C 95 28.900 28.614 0.286 1
1 373 . 26 1 1 A 35 35 GLN N N 95 121.530 120.841 0.689 1
1 375 . 26 1 1 A 36 36 LYS H H 96 7.870 7.139 0.731 1
1 376 . 26 1 1 A 36 36 LYS HA H 96 4.280 4.163 0.117 1
1 383 . 26 1 1 A 36 36 LYS C C 96 176.160 176.557 -0.397 1
1 384 . 26 1 1 A 36 36 LYS CA C 96 56.570 58.455 -1.885 1
1 385 . 26 1 1 A 36 36 LYS CB C 96 33.600 32.752 0.848 1
1 389 . 26 1 1 A 36 36 LYS N N 96 118.550 116.925 1.625 1
1 390 . 26 1 1 A 37 37 LYS H H 97 8.110 8.384 -0.274 1
1 391 . 26 1 1 A 37 37 LYS HA H 97 4.110 3.950 0.160 1
1 396 . 26 1 1 A 37 37 LYS C C 97 176.210 175.481 0.729 1
1 397 . 26 1 1 A 37 37 LYS CA C 97 57.230 57.189 0.041 1
1 398 . 26 1 1 A 37 37 LYS CB C 97 30.580 30.953 -0.373 1
1 402 . 26 1 1 A 37 37 LYS N N 97 117.680 119.221 -1.541 1
1 403 . 26 1 1 A 38 38 VAL H H 98 7.430 7.733 -0.303 1
1 404 . 26 1 1 A 38 38 VAL HA H 98 4.350 4.692 -0.342 1
1 412 . 26 1 1 A 38 38 VAL C C 98 175.830 175.041 0.789 1
1 413 . 26 1 1 A 38 38 VAL CA C 98 60.580 59.460 1.120 1
1 414 . 26 1 1 A 38 38 VAL CB C 98 33.410 34.334 -0.924 1
1 417 . 26 1 1 A 38 38 VAL N N 98 115.860 114.335 1.525 1
1 418 . 26 1 1 A 39 39 LYS H H 99 8.960 8.391 0.569 1
1 419 . 26 1 1 A 39 39 LYS HA H 99 4.430 4.406 0.024 1
1 425 . 26 1 1 A 39 39 LYS C C 99 175.700 174.380 1.320 1
1 426 . 26 1 1 A 39 39 LYS CA C 99 55.420 56.130 -0.710 1
1 427 . 26 1 1 A 39 39 LYS CB C 99 30.580 30.625 -0.045 1
1 431 . 26 1 1 A 39 39 LYS N N 99 127.710 119.766 7.944 1
1 432 . 26 1 1 A 40 40 ILE H H 100 7.660 7.699 -0.039 1
1 433 . 26 1 1 A 40 40 ILE HA H 100 5.020 4.936 0.084 1
1 443 . 26 1 1 A 40 40 ILE C C 100 174.520 175.061 -0.541 1
1 444 . 26 1 1 A 40 40 ILE CA C 100 59.370 60.531 -1.161 1
1 445 . 26 1 1 A 40 40 ILE CB C 100 40.650 40.554 0.096 1
1 449 . 26 1 1 A 40 40 ILE N N 100 123.140 123.879 -0.739 1
1 450 . 26 1 1 A 41 41 GLU H H 101 8.490 9.068 -0.578 1
1 451 . 26 1 1 A 41 41 GLU HA H 101 4.620 4.939 -0.319 1
1 456 . 26 1 1 A 41 41 GLU C C 101 173.590 174.641 -1.051 1
1 457 . 26 1 1 A 41 41 GLU CA C 101 53.740 54.252 -0.512 1
1 458 . 26 1 1 A 41 41 GLU CB C 101 34.580 33.399 1.181 1
1 460 . 26 1 1 A 41 41 GLU N N 101 123.460 124.529 -1.069 1
1 461 . 26 1 1 A 42 42 LEU H H 102 8.490 8.249 0.241 1
1 462 . 26 1 1 A 42 42 LEU HA H 102 3.790 4.335 -0.545 1
1 472 . 26 1 1 A 42 42 LEU C C 102 176.440 175.397 1.043 1
1 473 . 26 1 1 A 42 42 LEU CA C 102 55.190 54.594 0.596 1
1 474 . 26 1 1 A 42 42 LEU CB C 102 43.100 43.080 0.020 1
1 478 . 26 1 1 A 42 42 LEU N N 102 123.470 123.679 -0.209 1
1 479 . 26 1 1 A 43 43 ASP H H 103 8.770 8.417 0.353 1
1 480 . 26 1 1 A 43 43 ASP HA H 103 4.520 4.854 -0.334 1
1 483 . 26 1 1 A 43 43 ASP C C 103 177.600 176.996 0.604 1
1 484 . 26 1 1 A 43 43 ASP CA C 103 53.740 53.602 0.138 1
1 485 . 26 1 1 A 43 43 ASP CB C 103 41.880 42.542 -0.662 1
1 486 . 26 1 1 A 43 43 ASP N N 103 127.210 125.554 1.656 1
1 487 . 26 1 1 A 44 44 LYS H H 104 8.910 9.162 -0.252 1
1 488 . 26 1 1 A 44 44 LYS HA H 104 3.920 4.305 -0.385 1
1 495 . 26 1 1 A 44 44 LYS C C 104 177.340 178.026 -0.686 1
1 496 . 26 1 1 A 44 44 LYS CA C 104 58.930 57.250 1.680 1
1 497 . 26 1 1 A 44 44 LYS CB C 104 32.000 32.258 -0.258 1
1 501 . 26 1 1 A 44 44 LYS N N 104 129.080 127.438 1.642 1
1 502 . 26 1 1 A 45 45 SER H H 105 8.740 7.674 1.066 1
1 503 . 26 1 1 A 45 45 SER HA H 105 4.370 4.310 0.060 1
1 506 . 26 1 1 A 45 45 SER C C 105 175.040 174.901 0.139 1
1 507 . 26 1 1 A 45 45 SER CA C 105 59.150 61.288 -2.138 1
1 508 . 26 1 1 A 45 45 SER CB C 105 63.830 62.898 0.932 1
1 509 . 26 1 1 A 45 45 SER N N 105 115.270 112.586 2.684 1
1 510 . 26 1 1 A 46 46 ALA H H 106 7.430 7.367 0.063 1
1 511 . 26 1 1 A 46 46 ALA HA H 106 4.150 4.007 0.143 1
1 515 . 26 1 1 A 46 46 ALA CA C 106 53.300 52.932 0.368 1
1 516 . 26 1 1 A 46 46 ALA CB C 106 19.190 19.502 -0.312 1
1 517 . 26 1 1 A 46 46 ALA N N 106 125.120 125.194 -0.074 1
1 518 . 26 1 1 A 47 47 ARG HA H 107 4.280 4.386 -0.106 1
1 526 . 26 1 1 A 48 48 HIS HA H 108 4.650 5.221 -0.571 1
1 531 . 26 1 1 A 48 48 HIS C C 108 173.160 172.876 0.284 1
1 532 . 26 1 1 A 48 48 HIS CA C 108 54.990 53.709 1.281 1
1 533 . 26 1 1 A 48 48 HIS CB C 108 33.400 32.929 0.471 1
1 538 . 26 1 1 A 49 49 LEU H H 109 8.030 8.772 -0.742 1
1 539 . 26 1 1 A 49 49 LEU HA H 109 5.040 4.896 0.144 1
1 549 . 26 1 1 A 49 49 LEU CA C 109 54.480 54.254 0.226 1
1 550 . 26 1 1 A 49 49 LEU CB C 109 43.010 43.454 -0.444 1
1 554 . 26 1 1 A 49 49 LEU N N 109 120.130 119.641 0.489 1
1 555 . 26 1 1 A 50 50 TYR HA H 110 5.020 5.146 -0.126 1
1 560 . 26 1 1 A 50 50 TYR C C 110 176.960 175.432 1.528 1
1 561 . 26 1 1 A 50 50 TYR CA C 110 60.340 56.918 3.422 1
1 562 . 26 1 1 A 50 50 TYR CB C 110 39.210 42.364 -3.154 1
1 565 . 26 1 1 A 51 51 ILE H H 111 8.510 8.681 -0.171 1
1 566 . 26 1 1 A 51 51 ILE HA H 111 5.960 5.129 0.831 1
1 576 . 26 1 1 A 51 51 ILE C C 111 177.900 176.035 1.865 1
1 577 . 26 1 1 A 51 51 ILE CA C 111 58.100 59.079 -0.979 1
1 578 . 26 1 1 A 51 51 ILE CB C 111 41.370 40.671 0.699 1
1 582 . 26 1 1 A 51 51 ILE N N 111 115.050 118.422 -3.372 1
1 583 . 26 1 1 A 52 52 CYS H H 112 9.830 8.843 0.987 1
1 584 . 26 1 1 A 52 52 CYS HA H 112 5.000 4.892 0.108 1
1 587 . 26 1 1 A 52 52 CYS C C 112 175.420 175.814 -0.394 1
1 588 . 26 1 1 A 52 52 CYS CA C 112 57.770 57.404 0.366 1
1 589 . 26 1 1 A 52 52 CYS CB C 112 33.120 29.955 3.165 1
1 590 . 26 1 1 A 52 52 CYS N N 112 125.820 122.204 3.616 1
1 591 . 26 1 1 A 53 53 ASP H H 113 9.000 8.893 0.107 1
1 592 . 26 1 1 A 53 53 ASP HA H 113 4.510 4.373 0.137 1
1 594 . 26 1 1 A 53 53 ASP C C 113 178.140 178.075 0.065 1
1 595 . 26 1 1 A 53 53 ASP CA C 113 57.330 57.124 0.206 1
1 596 . 26 1 1 A 53 53 ASP CB C 113 39.730 40.458 -0.728 1
1 597 . 26 1 1 A 53 53 ASP N N 113 121.960 120.726 1.234 1
1 598 . 26 1 1 A 54 54 TYR H H 114 8.220 8.014 0.206 1
1 599 . 26 1 1 A 54 54 TYR HA H 114 4.100 4.192 -0.092 1
1 604 . 26 1 1 A 54 54 TYR C C 114 178.410 177.253 1.157 1
1 605 . 26 1 1 A 54 54 TYR CA C 114 61.970 61.662 0.308 1
1 606 . 26 1 1 A 54 54 TYR CB C 114 37.150 39.197 -2.047 1
1 609 . 26 1 1 A 54 54 TYR N N 114 123.510 122.934 0.576 1
1 610 . 26 1 1 A 55 55 HIS H H 115 10.090 7.718 2.372 1
1 611 . 26 1 1 A 55 55 HIS HA H 115 4.040 4.015 0.025 1
1 616 . 26 1 1 A 55 55 HIS C C 115 177.240 177.511 -0.271 1
1 617 . 26 1 1 A 55 55 HIS CA C 115 63.870 59.841 4.029 1
1 618 . 26 1 1 A 55 55 HIS CB C 115 29.600 29.623 -0.023 1
1 621 . 26 1 1 A 55 55 HIS N N 115 124.830 116.946 7.884 1
1 624 . 26 1 1 A 56 56 LYS H H 116 8.830 8.145 0.685 1
1 625 . 26 1 1 A 56 56 LYS HA H 116 3.720 3.854 -0.134 1
1 633 . 26 1 1 A 56 56 LYS C C 116 178.140 178.794 -0.654 1
1 634 . 26 1 1 A 56 56 LYS CA C 116 60.590 59.967 0.623 1
1 635 . 26 1 1 A 56 56 LYS CB C 116 32.230 32.636 -0.406 1
1 639 . 26 1 1 A 56 56 LYS N N 116 123.340 120.236 3.104 1
1 640 . 26 1 1 A 57 57 ASN H H 117 8.140 8.108 0.032 1
1 641 . 26 1 1 A 57 57 ASN HA H 117 4.340 4.444 -0.104 1
1 646 . 26 1 1 A 57 57 ASN C C 117 177.570 177.385 0.185 1
1 647 . 26 1 1 A 57 57 ASN CA C 117 55.890 56.552 -0.662 1
1 648 . 26 1 1 A 57 57 ASN CB C 117 38.070 38.778 -0.708 1
1 649 . 26 1 1 A 57 57 ASN N N 117 116.920 118.198 -1.278 1
1 651 . 26 1 1 A 58 58 LEU H H 118 7.890 7.794 0.096 1
1 652 . 26 1 1 A 58 58 LEU HA H 118 3.930 3.982 -0.052 1
1 662 . 26 1 1 A 58 58 LEU C C 118 179.400 179.036 0.364 1
1 663 . 26 1 1 A 58 58 LEU CA C 118 58.420 58.082 0.338 1
1 664 . 26 1 1 A 58 58 LEU CB C 118 43.170 41.481 1.689 1
1 668 . 26 1 1 A 58 58 LEU N N 118 123.590 120.201 3.389 1
1 669 . 26 1 1 A 59 59 ILE H H 119 8.360 8.127 0.233 1
1 670 . 26 1 1 A 59 59 ILE HA H 119 3.470 3.857 -0.387 1
1 680 . 26 1 1 A 59 59 ILE C C 119 177.290 178.504 -1.214 1
1 681 . 26 1 1 A 59 59 ILE CA C 119 65.260 64.409 0.851 1
1 682 . 26 1 1 A 59 59 ILE CB C 119 38.330 38.138 0.192 1
1 686 . 26 1 1 A 59 59 ILE N N 119 118.630 119.356 -0.726 1
1 687 . 26 1 1 A 60 60 GLN H H 120 7.830 8.615 -0.785 1
1 688 . 26 1 1 A 60 60 GLN HA H 120 4.130 4.047 0.083 1
1 694 . 26 1 1 A 60 60 GLN C C 120 177.240 177.446 -0.206 1
1 695 . 26 1 1 A 60 60 GLN CA C 120 57.750 59.172 -1.422 1
1 696 . 26 1 1 A 60 60 GLN CB C 120 28.910 28.746 0.164 1
1 698 . 26 1 1 A 60 60 GLN N N 120 117.840 120.280 -2.440 1
1 700 . 26 1 1 A 61 61 SER H H 121 7.790 8.017 -0.227 1
1 701 . 26 1 1 A 61 61 SER HA H 121 4.300 4.810 -0.510 1
1 703 . 26 1 1 A 61 61 SER C C 121 175.650 174.719 0.931 1
1 704 . 26 1 1 A 61 61 SER CA C 121 60.090 57.890 2.200 1
1 705 . 26 1 1 A 61 61 SER CB C 121 63.570 63.254 0.316 1
1 706 . 26 1 1 A 61 61 SER N N 121 115.460 112.737 2.723 1
1 707 . 26 1 1 A 62 62 VAL H H 122 8.020 7.728 0.292 1
1 708 . 26 1 1 A 62 62 VAL HA H 122 4.020 4.161 -0.141 1
1 716 . 26 1 1 A 62 62 VAL C C 122 176.960 176.641 0.319 1
1 717 . 26 1 1 A 62 62 VAL CA C 122 63.600 63.181 0.419 1
1 718 . 26 1 1 A 62 62 VAL CB C 122 32.300 33.105 -0.805 1
1 721 . 26 1 1 A 62 62 VAL N N 122 121.600 119.108 2.492 1
1 722 . 26 1 1 A 63 63 ARG H H 123 8.130 7.821 0.309 1
1 723 . 26 1 1 A 63 63 ARG HA H 123 4.190 4.446 -0.256 1
1 729 . 26 1 1 A 63 63 ARG C C 123 176.490 174.612 1.878 1
1 730 . 26 1 1 A 63 63 ARG CA C 123 57.070 55.517 1.553 1
1 731 . 26 1 1 A 63 63 ARG CB C 123 30.780 29.890 0.890 1
1 734 . 26 1 1 A 63 63 ARG N N 123 122.770 118.302 4.468 1
1 735 . 26 1 1 A 64 64 ASN H H 124 8.210 7.701 0.509 1
1 736 . 26 1 1 A 64 64 ASN HA H 124 4.650 5.252 -0.602 1
1 741 . 26 1 1 A 64 64 ASN C C 124 175.310 173.715 1.595 1
1 742 . 26 1 1 A 64 64 ASN CA C 124 53.500 53.056 0.444 1
1 743 . 26 1 1 A 64 64 ASN CB C 124 38.840 41.203 -2.363 1
1 744 . 26 1 1 A 64 64 ASN N N 124 119.350 119.157 0.193 1
1 746 . 26 1 1 A 65 65 ARG H H 125 8.100 8.329 -0.229 1
1 747 . 26 1 1 A 65 65 ARG HA H 125 4.270 4.636 -0.366 1
1 752 . 26 1 1 A 65 65 ARG C C 125 176.310 176.362 -0.052 1
1 753 . 26 1 1 A 65 65 ARG CA C 125 56.580 54.580 2.000 1
1 754 . 26 1 1 A 65 65 ARG CB C 125 30.810 33.281 -2.471 1
1 757 . 26 1 1 A 65 65 ARG N N 125 122.230 124.744 -2.514 1
1 758 . 26 1 1 A 66 66 ARG H H 126 8.260 8.809 -0.549 1
1 759 . 26 1 1 A 66 66 ARG HA H 126 4.270 4.405 -0.135 1
1 764 . 26 1 1 A 66 66 ARG C C 126 176.210 175.734 0.476 1
1 765 . 26 1 1 A 66 66 ARG CA C 126 56.190 57.004 -0.814 1
1 766 . 26 1 1 A 66 66 ARG CB C 126 30.810 31.996 -1.186 1
1 769 . 26 1 1 A 66 66 ARG N N 126 122.760 121.585 1.175 1
1 770 . 26 1 1 A 67 67 LYS H H 127 8.270 7.564 0.706 1
1 771 . 26 1 1 A 67 67 LYS HA H 127 4.260 4.536 -0.276 1
1 776 . 26 1 1 A 67 67 LYS C C 127 176.450 175.489 0.961 1
1 777 . 26 1 1 A 67 67 LYS CA C 127 56.320 55.893 0.427 1
1 778 . 26 1 1 A 67 67 LYS CB C 127 33.180 33.559 -0.379 1
1 782 . 26 1 1 A 67 67 LYS N N 127 123.620 119.430 4.190 1
1 783 . 26 1 1 A 68 68 ARG H H 128 8.340 8.702 -0.362 1
1 784 . 26 1 1 A 68 68 ARG HA H 128 4.270 4.880 -0.610 1
1 788 . 26 1 1 A 68 68 ARG C C 128 176.250 175.400 0.850 1
1 789 . 26 1 1 A 68 68 ARG CA C 128 56.130 54.669 1.461 1
1 790 . 26 1 1 A 68 68 ARG CB C 128 31.060 31.608 -0.548 1
1 793 . 26 1 1 A 68 68 ARG N N 128 123.750 122.371 1.379 1
1 794 . 26 1 1 A 69 69 LYS H H 129 8.450 8.469 -0.019 1
1 795 . 26 1 1 A 69 69 LYS HA H 129 4.250 4.493 -0.243 1
1 800 . 26 1 1 A 69 69 LYS C C 129 177.010 177.088 -0.078 1
1 801 . 26 1 1 A 69 69 LYS CA C 129 57.000 57.219 -0.219 1
1 802 . 26 1 1 A 69 69 LYS CB C 129 32.940 33.812 -0.872 1
1 806 . 26 1 1 A 69 69 LYS N N 129 124.580 118.600 5.980 1
1 807 . 26 1 1 A 70 70 GLY H H 130 8.500 7.340 1.160 1
1 808 . 26 1 1 A 70 70 GLY HA2 H 130 3.910 4.048 -0.138 1
1 809 . 26 1 1 A 70 70 GLY HA3 H 130 4.010 4.048 -0.038 1
1 810 . 26 1 1 A 70 70 GLY C C 130 173.360 172.990 0.370 1
1 811 . 26 1 1 A 70 70 GLY CA C 130 45.370 45.805 -0.435 1
1 812 . 26 1 1 A 70 70 GLY N N 130 112.470 104.040 8.430 1
1 6 . 27 1 1 A 2 2 ASN HA H 62 4.610 4.326 0.284 1
1 10 . 27 1 1 A 2 2 ASN C C 62 174.760 175.749 -0.989 1
1 11 . 27 1 1 A 2 2 ASN CA C 62 53.100 53.979 -0.879 1
1 12 . 27 1 1 A 2 2 ASN CB C 62 38.790 37.374 1.416 1
1 14 . 27 1 1 A 3 3 ALA H H 63 8.300 7.520 0.780 1
1 15 . 27 1 1 A 3 3 ALA HA H 63 4.200 4.282 -0.082 1
1 19 . 27 1 1 A 3 3 ALA C C 63 178.180 177.717 0.463 1
1 20 . 27 1 1 A 3 3 ALA CA C 63 53.070 51.661 1.409 1
1 21 . 27 1 1 A 3 3 ALA CB C 63 18.960 18.844 0.116 1
1 22 . 27 1 1 A 3 3 ALA N N 63 125.390 120.057 5.333 1
1 23 . 27 1 1 A 4 4 GLY H H 64 8.340 7.870 0.470 1
1 24 . 27 1 1 A 4 4 GLY HA2 H 64 3.800 3.912 -0.112 1
1 25 . 27 1 1 A 4 4 GLY HA3 H 64 3.860 3.923 -0.063 1
1 26 . 27 1 1 A 4 4 GLY C C 64 174.010 173.884 0.126 1
1 27 . 27 1 1 A 4 4 GLY CA C 64 45.350 46.368 -1.018 1
1 28 . 27 1 1 A 4 4 GLY N N 64 109.300 106.476 2.824 1
1 29 . 27 1 1 A 5 5 GLN H H 65 7.950 7.739 0.211 1
1 30 . 27 1 1 A 5 5 GLN HA H 65 4.330 4.643 -0.313 1
1 35 . 27 1 1 A 5 5 GLN C C 65 175.560 175.134 0.426 1
1 36 . 27 1 1 A 5 5 GLN CA C 65 55.400 55.387 0.013 1
1 37 . 27 1 1 A 5 5 GLN CB C 65 29.860 30.696 -0.836 1
1 39 . 27 1 1 A 5 5 GLN N N 65 119.540 119.675 -0.135 1
1 41 . 27 1 1 A 6 6 LEU H H 66 8.740 8.595 0.145 1
1 42 . 27 1 1 A 6 6 LEU HA H 66 4.610 5.057 -0.447 1
1 52 . 27 1 1 A 6 6 LEU C C 66 175.750 175.463 0.287 1
1 53 . 27 1 1 A 6 6 LEU CA C 66 54.010 53.434 0.576 1
1 54 . 27 1 1 A 6 6 LEU CB C 66 43.490 45.330 -1.840 1
1 58 . 27 1 1 A 6 6 LEU N N 66 126.120 121.215 4.905 1
1 59 . 27 1 1 A 7 7 CYS H H 67 8.470 8.844 -0.374 1
1 60 . 27 1 1 A 7 7 CYS HA H 67 4.140 4.505 -0.365 1
1 63 . 27 1 1 A 7 7 CYS C C 67 175.320 176.635 -1.315 1
1 64 . 27 1 1 A 7 7 CYS CA C 67 60.780 60.064 0.716 1
1 65 . 27 1 1 A 7 7 CYS CB C 67 32.850 28.501 4.349 1
1 66 . 27 1 1 A 7 7 CYS N N 67 123.170 121.206 1.964 1
1 67 . 27 1 1 A 8 8 CYS H H 68 8.170 8.760 -0.590 1
1 68 . 27 1 1 A 8 8 CYS HA H 68 4.280 4.648 -0.368 1
1 72 . 27 1 1 A 8 8 CYS C C 68 172.410 173.955 -1.545 1
1 73 . 27 1 1 A 8 8 CYS CA C 68 58.920 58.657 0.263 1
1 74 . 27 1 1 A 8 8 CYS CB C 68 28.920 27.541 1.379 1
1 75 . 27 1 1 A 8 8 CYS N N 68 124.700 123.347 1.353 1
1 76 . 27 1 1 A 9 9 LEU H H 69 8.180 7.203 0.977 1
1 77 . 27 1 1 A 9 9 LEU HA H 69 4.580 4.768 -0.188 1
1 87 . 27 1 1 A 9 9 LEU C C 69 176.770 175.939 0.831 1
1 88 . 27 1 1 A 9 9 LEU CA C 69 54.760 53.590 1.170 1
1 89 . 27 1 1 A 9 9 LEU CB C 69 43.150 46.097 -2.947 1
1 93 . 27 1 1 A 9 9 LEU N N 69 122.650 122.349 0.301 1
1 94 . 27 1 1 A 10 10 ARG H H 70 8.880 8.735 0.145 1
1 95 . 27 1 1 A 10 10 ARG HA H 70 4.770 5.441 -0.671 1
1 102 . 27 1 1 A 10 10 ARG C C 70 174.900 174.449 0.451 1
1 103 . 27 1 1 A 10 10 ARG CA C 70 54.710 54.275 0.435 1
1 104 . 27 1 1 A 10 10 ARG CB C 70 33.390 32.257 1.133 1
1 107 . 27 1 1 A 10 10 ARG N N 70 117.650 120.956 -3.306 1
1 108 . 27 1 1 A 11 11 GLU H H 71 8.640 8.903 -0.263 1
1 109 . 27 1 1 A 11 11 GLU HA H 71 5.090 4.581 0.509 1
1 113 . 27 1 1 A 11 11 GLU C C 71 176.070 176.184 -0.114 1
1 114 . 27 1 1 A 11 11 GLU CA C 71 54.270 56.074 -1.804 1
1 115 . 27 1 1 A 11 11 GLU CB C 71 32.460 31.168 1.292 1
1 117 . 27 1 1 A 11 11 GLU N N 71 123.910 125.502 -1.592 1
1 118 . 27 1 1 A 12 12 ASP H H 72 9.510 9.052 0.458 1
1 119 . 27 1 1 A 12 12 ASP HA H 72 4.270 4.430 -0.160 1
1 122 . 27 1 1 A 12 12 ASP C C 72 175.890 176.264 -0.374 1
1 123 . 27 1 1 A 12 12 ASP CA C 72 55.880 55.368 0.512 1
1 124 . 27 1 1 A 12 12 ASP CB C 72 39.910 39.629 0.281 1
1 125 . 27 1 1 A 12 12 ASP N N 72 129.440 128.206 1.234 1
1 126 . 27 1 1 A 13 13 GLY H H 73 8.970 8.523 0.447 1
1 127 . 27 1 1 A 13 13 GLY HA2 H 73 3.520 3.840 -0.320 1
1 128 . 27 1 1 A 13 13 GLY HA3 H 73 4.200 3.843 0.357 1
1 129 . 27 1 1 A 13 13 GLY C C 73 173.960 173.815 0.145 1
1 130 . 27 1 1 A 13 13 GLY CA C 73 45.350 45.343 0.007 1
1 131 . 27 1 1 A 13 13 GLY N N 73 103.500 104.500 -1.000 1
1 132 . 27 1 1 A 14 14 GLU H H 74 7.660 8.032 -0.372 1
1 133 . 27 1 1 A 14 14 GLU HA H 74 4.640 4.527 0.113 1
1 138 . 27 1 1 A 14 14 GLU C C 74 176.170 175.898 0.272 1
1 139 . 27 1 1 A 14 14 GLU CA C 74 54.460 55.404 -0.944 1
1 140 . 27 1 1 A 14 14 GLU CB C 74 32.050 31.107 0.943 1
1 142 . 27 1 1 A 14 14 GLU N N 74 121.330 120.413 0.917 1
1 143 . 27 1 1 A 15 15 ARG H H 75 9.000 8.671 0.329 1
1 144 . 27 1 1 A 15 15 ARG HA H 75 4.120 4.364 -0.244 1
1 150 . 27 1 1 A 15 15 ARG C C 75 175.230 175.844 -0.614 1
1 151 . 27 1 1 A 15 15 ARG CA C 75 56.640 55.014 1.626 1
1 152 . 27 1 1 A 15 15 ARG CB C 75 29.720 28.724 0.996 1
1 155 . 27 1 1 A 15 15 ARG N N 75 127.990 124.037 3.953 1
1 156 . 27 1 1 A 16 16 CYS H H 76 8.870 8.801 0.069 1
1 157 . 27 1 1 A 16 16 CYS HA H 76 4.170 4.296 -0.126 1
1 160 . 27 1 1 A 16 16 CYS CA C 76 61.840 61.185 0.655 1
1 161 . 27 1 1 A 16 16 CYS CB C 76 31.150 28.045 3.105 1
1 162 . 27 1 1 A 16 16 CYS N N 76 131.840 124.142 7.698 1
1 163 . 27 1 1 A 17 17 GLY H H 77 8.530 8.036 0.494 1
1 164 . 27 1 1 A 17 17 GLY HA2 H 77 3.680 3.956 -0.276 1
1 165 . 27 1 1 A 17 17 GLY HA3 H 77 4.340 3.981 0.359 1
1 166 . 27 1 1 A 17 17 GLY C C 77 174.620 174.210 0.410 1
1 167 . 27 1 1 A 17 17 GLY CA C 77 45.110 44.984 0.126 1
1 168 . 27 1 1 A 17 17 GLY N N 77 111.930 108.323 3.607 1
1 169 . 27 1 1 A 18 18 ARG H H 78 8.960 7.822 1.138 1
1 170 . 27 1 1 A 18 18 ARG HA H 78 4.290 4.438 -0.148 1
1 177 . 27 1 1 A 18 18 ARG C C 78 175.270 175.913 -0.643 1
1 178 . 27 1 1 A 18 18 ARG CA C 78 56.350 55.200 1.150 1
1 179 . 27 1 1 A 18 18 ARG CB C 78 31.310 31.299 0.011 1
1 182 . 27 1 1 A 18 18 ARG N N 78 124.390 122.021 2.369 1
1 183 . 27 1 1 A 19 19 ALA H H 79 8.340 8.404 -0.064 1
1 184 . 27 1 1 A 19 19 ALA HA H 79 4.170 4.232 -0.062 1
1 188 . 27 1 1 A 19 19 ALA C C 79 177.620 177.406 0.214 1
1 189 . 27 1 1 A 19 19 ALA CA C 79 52.710 52.402 0.308 1
1 190 . 27 1 1 A 19 19 ALA CB C 79 18.710 19.388 -0.678 1
1 191 . 27 1 1 A 19 19 ALA N N 79 123.880 128.053 -4.173 1
1 192 . 27 1 1 A 20 20 ALA H H 80 8.470 8.832 -0.362 1
1 193 . 27 1 1 A 20 20 ALA HA H 80 3.540 4.512 -0.972 1
1 197 . 27 1 1 A 20 20 ALA C C 80 177.560 177.825 -0.265 1
1 198 . 27 1 1 A 20 20 ALA CA C 80 52.840 52.029 0.811 1
1 199 . 27 1 1 A 20 20 ALA CB C 80 19.050 19.614 -0.564 1
1 200 . 27 1 1 A 20 20 ALA N N 80 124.580 122.532 2.048 1
1 201 . 27 1 1 A 21 21 GLY H H 81 8.090 8.509 -0.419 1
1 202 . 27 1 1 A 21 21 GLY HA2 H 81 3.800 4.229 -0.429 1
1 203 . 27 1 1 A 21 21 GLY HA3 H 81 4.430 4.261 0.169 1
1 204 . 27 1 1 A 21 21 GLY C C 81 173.170 174.904 -1.734 1
1 205 . 27 1 1 A 21 21 GLY CA C 81 44.390 44.729 -0.339 1
1 206 . 27 1 1 A 21 21 GLY N N 81 114.000 106.777 7.223 1
1 207 . 27 1 1 A 22 22 ASN H H 82 8.690 8.760 -0.070 1
1 208 . 27 1 1 A 22 22 ASN HA H 82 4.650 4.722 -0.072 1
1 213 . 27 1 1 A 22 22 ASN C C 82 176.260 176.571 -0.311 1
1 214 . 27 1 1 A 22 22 ASN CA C 82 53.580 55.678 -2.098 1
1 215 . 27 1 1 A 22 22 ASN CB C 82 39.580 38.788 0.792 1
1 216 . 27 1 1 A 22 22 ASN N N 82 118.160 119.705 -1.545 1
1 218 . 27 1 1 A 23 23 ALA H H 83 8.720 7.646 1.074 1
1 219 . 27 1 1 A 23 23 ALA HA H 83 4.570 4.341 0.229 1
1 223 . 27 1 1 A 23 23 ALA C C 83 175.910 177.433 -1.523 1
1 224 . 27 1 1 A 23 23 ALA CA C 83 52.340 52.801 -0.461 1
1 225 . 27 1 1 A 23 23 ALA CB C 83 19.370 19.485 -0.115 1
1 226 . 27 1 1 A 23 23 ALA N N 83 125.180 121.422 3.758 1
1 227 . 27 1 1 A 24 24 SER H H 84 7.970 8.637 -0.667 1
1 228 . 27 1 1 A 24 24 SER HA H 84 5.310 5.269 0.041 1
1 230 . 27 1 1 A 24 24 SER C C 84 174.620 172.208 2.412 1
1 231 . 27 1 1 A 24 24 SER CA C 84 56.550 57.515 -0.965 1
1 232 . 27 1 1 A 24 24 SER CB C 84 66.420 66.647 -0.227 1
1 233 . 27 1 1 A 24 24 SER N N 84 112.840 115.916 -3.076 1
1 234 . 27 1 1 A 25 25 PHE H H 85 9.580 8.988 0.592 1
1 235 . 27 1 1 A 25 25 PHE HA H 85 4.320 4.894 -0.574 1
1 241 . 27 1 1 A 25 25 PHE C C 85 173.430 174.928 -1.498 1
1 242 . 27 1 1 A 25 25 PHE CA C 85 57.780 56.670 1.110 1
1 243 . 27 1 1 A 25 25 PHE CB C 85 38.780 39.987 -1.207 1
1 247 . 27 1 1 A 25 25 PHE N N 85 125.520 125.311 0.209 1
1 248 . 27 1 1 A 26 26 SER H H 86 6.780 8.398 -1.618 1
1 249 . 27 1 1 A 26 26 SER HA H 86 4.430 4.800 -0.370 1
1 252 . 27 1 1 A 26 26 SER C C 86 174.200 175.447 -1.247 1
1 253 . 27 1 1 A 26 26 SER CA C 86 56.610 55.898 0.712 1
1 254 . 27 1 1 A 26 26 SER CB C 86 66.010 65.039 0.971 1
1 255 . 27 1 1 A 26 26 SER N N 86 118.860 119.351 -0.491 1
1 256 . 27 1 1 A 27 27 LYS H H 87 8.710 8.713 -0.003 1
1 257 . 27 1 1 A 27 27 LYS HA H 87 3.850 3.774 0.076 1
1 263 . 27 1 1 A 27 27 LYS C C 87 178.490 178.924 -0.434 1
1 264 . 27 1 1 A 27 27 LYS CA C 87 59.390 59.375 0.015 1
1 265 . 27 1 1 A 27 27 LYS CB C 87 31.970 32.308 -0.338 1
1 269 . 27 1 1 A 27 27 LYS N N 87 121.790 119.740 2.050 1
1 270 . 27 1 1 A 28 28 ARG H H 88 8.010 7.704 0.306 1
1 271 . 27 1 1 A 28 28 ARG HA H 88 3.990 4.014 -0.024 1
1 277 . 27 1 1 A 28 28 ARG C C 88 178.890 178.729 0.161 1
1 278 . 27 1 1 A 28 28 ARG CA C 88 59.010 58.595 0.415 1
1 279 . 27 1 1 A 28 28 ARG CB C 88 30.120 29.878 0.242 1
1 282 . 27 1 1 A 28 28 ARG N N 88 119.520 119.445 0.075 1
1 283 . 27 1 1 A 29 29 ILE H H 89 7.350 8.074 -0.724 1
1 284 . 27 1 1 A 29 29 ILE HA H 89 3.680 3.677 0.003 1
1 294 . 27 1 1 A 29 29 ILE C C 89 177.620 178.499 -0.879 1
1 295 . 27 1 1 A 29 29 ILE CA C 89 63.170 65.155 -1.985 1
1 296 . 27 1 1 A 29 29 ILE CB C 89 36.900 37.154 -0.254 1
1 300 . 27 1 1 A 29 29 ILE N N 89 121.980 119.763 2.217 1
1 301 . 27 1 1 A 30 30 GLN H H 90 7.990 8.007 -0.017 1
1 302 . 27 1 1 A 30 30 GLN HA H 90 3.630 3.920 -0.290 1
1 308 . 27 1 1 A 30 30 GLN C C 90 178.320 178.515 -0.195 1
1 309 . 27 1 1 A 30 30 GLN CA C 90 59.200 59.232 -0.032 1
1 310 . 27 1 1 A 30 30 GLN CB C 90 28.700 27.982 0.718 1
1 312 . 27 1 1 A 30 30 GLN N N 90 121.020 120.893 0.127 1
1 314 . 27 1 1 A 31 31 LYS H H 91 7.990 8.472 -0.482 1
1 315 . 27 1 1 A 31 31 LYS HA H 91 4.090 4.015 0.075 1
1 321 . 27 1 1 A 31 31 LYS C C 91 178.650 179.141 -0.491 1
1 322 . 27 1 1 A 31 31 LYS CA C 91 58.720 59.289 -0.569 1
1 323 . 27 1 1 A 31 31 LYS CB C 91 32.220 32.134 0.086 1
1 327 . 27 1 1 A 31 31 LYS N N 91 119.520 118.491 1.029 1
1 328 . 27 1 1 A 32 32 SER H H 92 7.770 8.126 -0.356 1
1 329 . 27 1 1 A 32 32 SER HA H 92 4.320 4.135 0.185 1
1 332 . 27 1 1 A 32 32 SER C C 92 176.110 176.056 0.054 1
1 333 . 27 1 1 A 32 32 SER CA C 92 61.260 62.257 -0.997 1
1 334 . 27 1 1 A 32 32 SER CB C 92 63.610 63.130 0.480 1
1 335 . 27 1 1 A 32 32 SER N N 92 116.310 116.826 -0.516 1
1 336 . 27 1 1 A 33 33 ILE H H 93 7.960 7.828 0.132 1
1 337 . 27 1 1 A 33 33 ILE HA H 93 3.920 3.797 0.123 1
1 347 . 27 1 1 A 33 33 ILE C C 93 177.480 178.306 -0.826 1
1 348 . 27 1 1 A 33 33 ILE CA C 93 63.610 65.464 -1.854 1
1 349 . 27 1 1 A 33 33 ILE CB C 93 38.330 37.431 0.899 1
1 353 . 27 1 1 A 33 33 ILE N N 93 119.950 121.824 -1.874 1
1 354 . 27 1 1 A 34 34 SER H H 94 7.970 8.133 -0.163 1
1 355 . 27 1 1 A 34 34 SER HA H 94 4.390 4.233 0.157 1
1 357 . 27 1 1 A 34 34 SER C C 94 176.490 176.036 0.454 1
1 358 . 27 1 1 A 34 34 SER CA C 94 60.560 61.395 -0.835 1
1 359 . 27 1 1 A 34 34 SER CB C 94 63.130 63.135 -0.005 1
1 360 . 27 1 1 A 34 34 SER N N 94 117.230 116.513 0.717 1
1 361 . 27 1 1 A 35 35 GLN H H 95 8.220 7.696 0.524 1
1 362 . 27 1 1 A 35 35 GLN HA H 95 4.260 4.034 0.226 1
1 369 . 27 1 1 A 35 35 GLN C C 95 177.050 178.402 -1.352 1
1 370 . 27 1 1 A 35 35 GLN CA C 95 57.360 58.822 -1.462 1
1 371 . 27 1 1 A 35 35 GLN CB C 95 28.900 28.701 0.199 1
1 373 . 27 1 1 A 35 35 GLN N N 95 121.530 120.498 1.032 1
1 375 . 27 1 1 A 36 36 LYS H H 96 7.870 8.212 -0.342 1
1 376 . 27 1 1 A 36 36 LYS HA H 96 4.280 4.111 0.169 1
1 383 . 27 1 1 A 36 36 LYS C C 96 176.160 176.805 -0.645 1
1 384 . 27 1 1 A 36 36 LYS CA C 96 56.570 59.158 -2.588 1
1 385 . 27 1 1 A 36 36 LYS CB C 96 33.600 32.645 0.955 1
1 389 . 27 1 1 A 36 36 LYS N N 96 118.550 117.187 1.363 1
1 390 . 27 1 1 A 37 37 LYS H H 97 8.110 8.241 -0.131 1
1 391 . 27 1 1 A 37 37 LYS HA H 97 4.110 3.917 0.193 1
1 396 . 27 1 1 A 37 37 LYS C C 97 176.210 175.506 0.704 1
1 397 . 27 1 1 A 37 37 LYS CA C 97 57.230 57.195 0.035 1
1 398 . 27 1 1 A 37 37 LYS CB C 97 30.580 30.884 -0.304 1
1 402 . 27 1 1 A 37 37 LYS N N 97 117.680 118.918 -1.238 1
1 403 . 27 1 1 A 38 38 VAL H H 98 7.430 7.810 -0.380 1
1 404 . 27 1 1 A 38 38 VAL HA H 98 4.350 4.954 -0.604 1
1 412 . 27 1 1 A 38 38 VAL C C 98 175.830 174.741 1.089 1
1 413 . 27 1 1 A 38 38 VAL CA C 98 60.580 58.593 1.987 1
1 414 . 27 1 1 A 38 38 VAL CB C 98 33.410 35.574 -2.164 1
1 417 . 27 1 1 A 38 38 VAL N N 98 115.860 115.630 0.230 1
1 418 . 27 1 1 A 39 39 LYS H H 99 8.960 8.378 0.582 1
1 419 . 27 1 1 A 39 39 LYS HA H 99 4.430 4.389 0.041 1
1 425 . 27 1 1 A 39 39 LYS C C 99 175.700 174.659 1.041 1
1 426 . 27 1 1 A 39 39 LYS CA C 99 55.420 56.200 -0.780 1
1 427 . 27 1 1 A 39 39 LYS CB C 99 30.580 30.708 -0.128 1
1 431 . 27 1 1 A 39 39 LYS N N 99 127.710 121.272 6.438 1
1 432 . 27 1 1 A 40 40 ILE H H 100 7.660 7.873 -0.213 1
1 433 . 27 1 1 A 40 40 ILE HA H 100 5.020 4.800 0.220 1
1 443 . 27 1 1 A 40 40 ILE C C 100 174.520 175.270 -0.750 1
1 444 . 27 1 1 A 40 40 ILE CA C 100 59.370 60.520 -1.150 1
1 445 . 27 1 1 A 40 40 ILE CB C 100 40.650 40.068 0.582 1
1 449 . 27 1 1 A 40 40 ILE N N 100 123.140 123.700 -0.560 1
1 450 . 27 1 1 A 41 41 GLU H H 101 8.490 9.003 -0.513 1
1 451 . 27 1 1 A 41 41 GLU HA H 101 4.620 4.994 -0.374 1
1 456 . 27 1 1 A 41 41 GLU C C 101 173.590 174.866 -1.276 1
1 457 . 27 1 1 A 41 41 GLU CA C 101 53.740 54.245 -0.505 1
1 458 . 27 1 1 A 41 41 GLU CB C 101 34.580 33.322 1.258 1
1 460 . 27 1 1 A 41 41 GLU N N 101 123.460 124.552 -1.092 1
1 461 . 27 1 1 A 42 42 LEU H H 102 8.490 8.257 0.233 1
1 462 . 27 1 1 A 42 42 LEU HA H 102 3.790 4.379 -0.589 1
1 472 . 27 1 1 A 42 42 LEU C C 102 176.440 175.442 0.998 1
1 473 . 27 1 1 A 42 42 LEU CA C 102 55.190 54.459 0.731 1
1 474 . 27 1 1 A 42 42 LEU CB C 102 43.100 43.281 -0.181 1
1 478 . 27 1 1 A 42 42 LEU N N 102 123.470 123.105 0.365 1
1 479 . 27 1 1 A 43 43 ASP H H 103 8.770 8.106 0.664 1
1 480 . 27 1 1 A 43 43 ASP HA H 103 4.520 4.727 -0.207 1
1 483 . 27 1 1 A 43 43 ASP C C 103 177.600 177.072 0.528 1
1 484 . 27 1 1 A 43 43 ASP CA C 103 53.740 53.329 0.411 1
1 485 . 27 1 1 A 43 43 ASP CB C 103 41.880 41.805 0.075 1
1 486 . 27 1 1 A 43 43 ASP N N 103 127.210 126.561 0.649 1
1 487 . 27 1 1 A 44 44 LYS H H 104 8.910 9.033 -0.123 1
1 488 . 27 1 1 A 44 44 LYS HA H 104 3.920 4.124 -0.204 1
1 495 . 27 1 1 A 44 44 LYS C C 104 177.340 178.713 -1.373 1
1 496 . 27 1 1 A 44 44 LYS CA C 104 58.930 58.873 0.057 1
1 497 . 27 1 1 A 44 44 LYS CB C 104 32.000 32.114 -0.114 1
1 501 . 27 1 1 A 44 44 LYS N N 104 129.080 127.429 1.651 1
1 502 . 27 1 1 A 45 45 SER H H 105 8.740 7.950 0.790 1
1 503 . 27 1 1 A 45 45 SER HA H 105 4.370 4.200 0.170 1
1 506 . 27 1 1 A 45 45 SER C C 105 175.040 175.789 -0.749 1
1 507 . 27 1 1 A 45 45 SER CA C 105 59.150 61.454 -2.304 1
1 508 . 27 1 1 A 45 45 SER CB C 105 63.830 62.985 0.845 1
1 509 . 27 1 1 A 45 45 SER N N 105 115.270 114.574 0.696 1
1 510 . 27 1 1 A 46 46 ALA H H 106 7.430 7.028 0.402 1
1 511 . 27 1 1 A 46 46 ALA HA H 106 4.150 4.065 0.085 1
1 515 . 27 1 1 A 46 46 ALA CA C 106 53.300 53.200 0.100 1
1 516 . 27 1 1 A 46 46 ALA CB C 106 19.190 19.004 0.186 1
1 517 . 27 1 1 A 46 46 ALA N N 106 125.120 122.578 2.542 1
1 518 . 27 1 1 A 47 47 ARG HA H 107 4.280 4.495 -0.215 1
1 526 . 27 1 1 A 48 48 HIS HA H 108 4.650 4.939 -0.289 1
1 531 . 27 1 1 A 48 48 HIS C C 108 173.160 172.393 0.767 1
1 532 . 27 1 1 A 48 48 HIS CA C 108 54.990 54.843 0.147 1
1 533 . 27 1 1 A 48 48 HIS CB C 108 33.400 31.517 1.883 1
1 538 . 27 1 1 A 49 49 LEU H H 109 8.030 8.416 -0.386 1
1 539 . 27 1 1 A 49 49 LEU HA H 109 5.040 4.905 0.135 1
1 549 . 27 1 1 A 49 49 LEU CA C 109 54.480 54.212 0.268 1
1 550 . 27 1 1 A 49 49 LEU CB C 109 43.010 43.196 -0.186 1
1 554 . 27 1 1 A 49 49 LEU N N 109 120.130 119.488 0.642 1
1 555 . 27 1 1 A 50 50 TYR HA H 110 5.020 4.987 0.033 1
1 560 . 27 1 1 A 50 50 TYR C C 110 176.960 175.478 1.482 1
1 561 . 27 1 1 A 50 50 TYR CA C 110 60.340 56.969 3.371 1
1 562 . 27 1 1 A 50 50 TYR CB C 110 39.210 42.641 -3.431 1
1 565 . 27 1 1 A 51 51 ILE H H 111 8.510 9.012 -0.502 1
1 566 . 27 1 1 A 51 51 ILE HA H 111 5.960 5.103 0.857 1
1 576 . 27 1 1 A 51 51 ILE C C 111 177.900 175.899 2.001 1
1 577 . 27 1 1 A 51 51 ILE CA C 111 58.100 59.148 -1.048 1
1 578 . 27 1 1 A 51 51 ILE CB C 111 41.370 40.868 0.502 1
1 582 . 27 1 1 A 51 51 ILE N N 111 115.050 118.367 -3.317 1
1 583 . 27 1 1 A 52 52 CYS H H 112 9.830 8.866 0.964 1
1 584 . 27 1 1 A 52 52 CYS HA H 112 5.000 4.887 0.113 1
1 587 . 27 1 1 A 52 52 CYS C C 112 175.420 175.577 -0.157 1
1 588 . 27 1 1 A 52 52 CYS CA C 112 57.770 57.639 0.131 1
1 589 . 27 1 1 A 52 52 CYS CB C 112 33.120 30.293 2.827 1
1 590 . 27 1 1 A 52 52 CYS N N 112 125.820 121.717 4.103 1
1 591 . 27 1 1 A 53 53 ASP H H 113 9.000 9.011 -0.011 1
1 592 . 27 1 1 A 53 53 ASP HA H 113 4.510 4.330 0.180 1
1 594 . 27 1 1 A 53 53 ASP C C 113 178.140 177.523 0.617 1
1 595 . 27 1 1 A 53 53 ASP CA C 113 57.330 57.286 0.044 1
1 596 . 27 1 1 A 53 53 ASP CB C 113 39.730 40.507 -0.777 1
1 597 . 27 1 1 A 53 53 ASP N N 113 121.960 122.061 -0.101 1
1 598 . 27 1 1 A 54 54 TYR H H 114 8.220 8.129 0.091 1
1 599 . 27 1 1 A 54 54 TYR HA H 114 4.100 4.198 -0.098 1
1 604 . 27 1 1 A 54 54 TYR C C 114 178.410 177.300 1.110 1
1 605 . 27 1 1 A 54 54 TYR CA C 114 61.970 61.613 0.357 1
1 606 . 27 1 1 A 54 54 TYR CB C 114 37.150 38.559 -1.409 1
1 609 . 27 1 1 A 54 54 TYR N N 114 123.510 120.886 2.624 1
1 610 . 27 1 1 A 55 55 HIS H H 115 10.090 7.780 2.310 1
1 611 . 27 1 1 A 55 55 HIS HA H 115 4.040 4.210 -0.170 1
1 616 . 27 1 1 A 55 55 HIS C C 115 177.240 177.451 -0.211 1
1 617 . 27 1 1 A 55 55 HIS CA C 115 63.870 59.686 4.184 1
1 618 . 27 1 1 A 55 55 HIS CB C 115 29.600 29.985 -0.385 1
1 621 . 27 1 1 A 55 55 HIS N N 115 124.830 117.542 7.288 1
1 624 . 27 1 1 A 56 56 LYS H H 116 8.830 8.243 0.587 1
1 625 . 27 1 1 A 56 56 LYS HA H 116 3.720 3.876 -0.156 1
1 633 . 27 1 1 A 56 56 LYS C C 116 178.140 178.811 -0.671 1
1 634 . 27 1 1 A 56 56 LYS CA C 116 60.590 59.995 0.595 1
1 635 . 27 1 1 A 56 56 LYS CB C 116 32.230 32.519 -0.289 1
1 639 . 27 1 1 A 56 56 LYS N N 116 123.340 120.583 2.757 1
1 640 . 27 1 1 A 57 57 ASN H H 117 8.140 8.093 0.047 1
1 641 . 27 1 1 A 57 57 ASN HA H 117 4.340 4.502 -0.162 1
1 646 . 27 1 1 A 57 57 ASN C C 117 177.570 177.541 0.029 1
1 647 . 27 1 1 A 57 57 ASN CA C 117 55.890 55.965 -0.075 1
1 648 . 27 1 1 A 57 57 ASN CB C 117 38.070 38.462 -0.392 1
1 649 . 27 1 1 A 57 57 ASN N N 117 116.920 118.329 -1.409 1
1 651 . 27 1 1 A 58 58 LEU H H 118 7.890 7.665 0.225 1
1 652 . 27 1 1 A 58 58 LEU HA H 118 3.930 3.980 -0.050 1
1 662 . 27 1 1 A 58 58 LEU C C 118 179.400 178.588 0.812 1
1 663 . 27 1 1 A 58 58 LEU CA C 118 58.420 57.577 0.843 1
1 664 . 27 1 1 A 58 58 LEU CB C 118 43.170 41.173 1.997 1
1 668 . 27 1 1 A 58 58 LEU N N 118 123.590 119.876 3.714 1
1 669 . 27 1 1 A 59 59 ILE H H 119 8.360 7.769 0.591 1
1 670 . 27 1 1 A 59 59 ILE HA H 119 3.470 3.945 -0.475 1
1 680 . 27 1 1 A 59 59 ILE C C 119 177.290 178.258 -0.968 1
1 681 . 27 1 1 A 59 59 ILE CA C 119 65.260 63.755 1.505 1
1 682 . 27 1 1 A 59 59 ILE CB C 119 38.330 38.257 0.073 1
1 686 . 27 1 1 A 59 59 ILE N N 119 118.630 118.232 0.398 1
1 687 . 27 1 1 A 60 60 GLN H H 120 7.830 8.539 -0.709 1
1 688 . 27 1 1 A 60 60 GLN HA H 120 4.130 4.009 0.121 1
1 694 . 27 1 1 A 60 60 GLN C C 120 177.240 177.959 -0.719 1
1 695 . 27 1 1 A 60 60 GLN CA C 120 57.750 59.211 -1.461 1
1 696 . 27 1 1 A 60 60 GLN CB C 120 28.910 28.219 0.691 1
1 698 . 27 1 1 A 60 60 GLN N N 120 117.840 120.515 -2.675 1
1 700 . 27 1 1 A 61 61 SER H H 121 7.790 7.771 0.019 1
1 701 . 27 1 1 A 61 61 SER HA H 121 4.300 4.637 -0.337 1
1 703 . 27 1 1 A 61 61 SER C C 121 175.650 174.570 1.080 1
1 704 . 27 1 1 A 61 61 SER CA C 121 60.090 58.910 1.180 1
1 705 . 27 1 1 A 61 61 SER CB C 121 63.570 62.852 0.718 1
1 706 . 27 1 1 A 61 61 SER N N 121 115.460 116.274 -0.814 1
1 707 . 27 1 1 A 62 62 VAL H H 122 8.020 7.706 0.314 1
1 708 . 27 1 1 A 62 62 VAL HA H 122 4.020 3.982 0.038 1
1 716 . 27 1 1 A 62 62 VAL C C 122 176.960 176.774 0.186 1
1 717 . 27 1 1 A 62 62 VAL CA C 122 63.600 64.591 -0.991 1
1 718 . 27 1 1 A 62 62 VAL CB C 122 32.300 32.499 -0.199 1
1 721 . 27 1 1 A 62 62 VAL N N 122 121.600 119.703 1.897 1
1 722 . 27 1 1 A 63 63 ARG H H 123 8.130 7.438 0.692 1
1 723 . 27 1 1 A 63 63 ARG HA H 123 4.190 4.533 -0.343 1
1 729 . 27 1 1 A 63 63 ARG C C 123 176.490 175.217 1.273 1
1 730 . 27 1 1 A 63 63 ARG CA C 123 57.070 55.214 1.856 1
1 731 . 27 1 1 A 63 63 ARG CB C 123 30.780 30.937 -0.157 1
1 734 . 27 1 1 A 63 63 ARG N N 123 122.770 117.838 4.932 1
1 735 . 27 1 1 A 64 64 ASN H H 124 8.210 7.724 0.486 1
1 736 . 27 1 1 A 64 64 ASN HA H 124 4.650 5.034 -0.384 1
1 741 . 27 1 1 A 64 64 ASN C C 124 175.310 175.446 -0.136 1
1 742 . 27 1 1 A 64 64 ASN CA C 124 53.500 52.266 1.234 1
1 743 . 27 1 1 A 64 64 ASN CB C 124 38.840 38.769 0.071 1
1 744 . 27 1 1 A 64 64 ASN N N 124 119.350 117.452 1.898 1
1 746 . 27 1 1 A 65 65 ARG H H 125 8.100 8.605 -0.505 1
1 747 . 27 1 1 A 65 65 ARG HA H 125 4.270 4.307 -0.037 1
1 752 . 27 1 1 A 65 65 ARG C C 125 176.310 176.090 0.220 1
1 753 . 27 1 1 A 65 65 ARG CA C 125 56.580 57.691 -1.111 1
1 754 . 27 1 1 A 65 65 ARG CB C 125 30.810 30.802 0.008 1
1 757 . 27 1 1 A 65 65 ARG N N 125 122.230 123.209 -0.979 1
1 758 . 27 1 1 A 66 66 ARG H H 126 8.260 7.696 0.564 1
1 759 . 27 1 1 A 66 66 ARG HA H 126 4.270 4.803 -0.533 1
1 764 . 27 1 1 A 66 66 ARG C C 126 176.210 175.661 0.549 1
1 765 . 27 1 1 A 66 66 ARG CA C 126 56.190 54.395 1.795 1
1 766 . 27 1 1 A 66 66 ARG CB C 126 30.810 33.479 -2.669 1
1 769 . 27 1 1 A 66 66 ARG N N 126 122.760 116.982 5.778 1
1 770 . 27 1 1 A 67 67 LYS H H 127 8.270 8.918 -0.648 1
1 771 . 27 1 1 A 67 67 LYS HA H 127 4.260 3.965 0.295 1
1 776 . 27 1 1 A 67 67 LYS C C 127 176.450 176.146 0.304 1
1 777 . 27 1 1 A 67 67 LYS CA C 127 56.320 57.159 -0.839 1
1 778 . 27 1 1 A 67 67 LYS CB C 127 33.180 31.134 2.046 1
1 782 . 27 1 1 A 67 67 LYS N N 127 123.620 121.182 2.438 1
1 783 . 27 1 1 A 68 68 ARG H H 128 8.340 8.032 0.308 1
1 784 . 27 1 1 A 68 68 ARG HA H 128 4.270 4.584 -0.314 1
1 788 . 27 1 1 A 68 68 ARG C C 128 176.250 176.064 0.186 1
1 789 . 27 1 1 A 68 68 ARG CA C 128 56.130 56.964 -0.834 1
1 790 . 27 1 1 A 68 68 ARG CB C 128 31.060 33.672 -2.612 1
1 793 . 27 1 1 A 68 68 ARG N N 128 123.750 126.558 -2.808 1
1 794 . 27 1 1 A 69 69 LYS H H 129 8.450 8.218 0.232 1
1 795 . 27 1 1 A 69 69 LYS HA H 129 4.250 4.013 0.237 1
1 800 . 27 1 1 A 69 69 LYS C C 129 177.010 176.325 0.685 1
1 801 . 27 1 1 A 69 69 LYS CA C 129 57.000 58.556 -1.556 1
1 802 . 27 1 1 A 69 69 LYS CB C 129 32.940 31.332 1.608 1
1 806 . 27 1 1 A 69 69 LYS N N 129 124.580 118.521 6.059 1
1 807 . 27 1 1 A 70 70 GLY H H 130 8.500 7.889 0.611 1
1 808 . 27 1 1 A 70 70 GLY HA2 H 130 3.910 4.019 -0.109 1
1 809 . 27 1 1 A 70 70 GLY HA3 H 130 4.010 4.019 -0.009 1
1 810 . 27 1 1 A 70 70 GLY C C 130 173.360 174.982 -1.622 1
1 811 . 27 1 1 A 70 70 GLY CA C 130 45.370 45.383 -0.013 1
1 812 . 27 1 1 A 70 70 GLY N N 130 112.470 106.008 6.462 1
1 6 . 28 1 1 A 2 2 ASN HA H 62 4.610 5.015 -0.405 1
1 10 . 28 1 1 A 2 2 ASN C C 62 174.760 174.631 0.129 1
1 11 . 28 1 1 A 2 2 ASN CA C 62 53.100 51.993 1.107 1
1 12 . 28 1 1 A 2 2 ASN CB C 62 38.790 39.557 -0.767 1
1 14 . 28 1 1 A 3 3 ALA H H 63 8.300 8.328 -0.028 1
1 15 . 28 1 1 A 3 3 ALA HA H 63 4.200 4.496 -0.296 1
1 19 . 28 1 1 A 3 3 ALA C C 63 178.180 177.582 0.598 1
1 20 . 28 1 1 A 3 3 ALA CA C 63 53.070 51.285 1.785 1
1 21 . 28 1 1 A 3 3 ALA CB C 63 18.960 20.023 -1.063 1
1 22 . 28 1 1 A 3 3 ALA N N 63 125.390 126.771 -1.381 1
1 23 . 28 1 1 A 4 4 GLY H H 64 8.340 7.950 0.390 1
1 24 . 28 1 1 A 4 4 GLY HA2 H 64 3.800 3.946 -0.146 1
1 25 . 28 1 1 A 4 4 GLY HA3 H 64 3.860 3.954 -0.094 1
1 26 . 28 1 1 A 4 4 GLY C C 64 174.010 174.080 -0.070 1
1 27 . 28 1 1 A 4 4 GLY CA C 64 45.350 45.648 -0.298 1
1 28 . 28 1 1 A 4 4 GLY N N 64 109.300 106.379 2.921 1
1 29 . 28 1 1 A 5 5 GLN H H 65 7.950 7.442 0.508 1
1 30 . 28 1 1 A 5 5 GLN HA H 65 4.330 4.540 -0.210 1
1 35 . 28 1 1 A 5 5 GLN C C 65 175.560 175.353 0.207 1
1 36 . 28 1 1 A 5 5 GLN CA C 65 55.400 55.843 -0.443 1
1 37 . 28 1 1 A 5 5 GLN CB C 65 29.860 30.512 -0.652 1
1 39 . 28 1 1 A 5 5 GLN N N 65 119.540 119.447 0.093 1
1 41 . 28 1 1 A 6 6 LEU H H 66 8.740 8.479 0.261 1
1 42 . 28 1 1 A 6 6 LEU HA H 66 4.610 4.898 -0.288 1
1 52 . 28 1 1 A 6 6 LEU C C 66 175.750 176.334 -0.584 1
1 53 . 28 1 1 A 6 6 LEU CA C 66 54.010 53.582 0.428 1
1 54 . 28 1 1 A 6 6 LEU CB C 66 43.490 44.025 -0.535 1
1 58 . 28 1 1 A 6 6 LEU N N 66 126.120 121.514 4.606 1
1 59 . 28 1 1 A 7 7 CYS H H 67 8.470 8.850 -0.380 1
1 60 . 28 1 1 A 7 7 CYS HA H 67 4.140 4.400 -0.260 1
1 63 . 28 1 1 A 7 7 CYS C C 67 175.320 176.053 -0.733 1
1 64 . 28 1 1 A 7 7 CYS CA C 67 60.780 60.318 0.462 1
1 65 . 28 1 1 A 7 7 CYS CB C 67 32.850 28.856 3.994 1
1 66 . 28 1 1 A 7 7 CYS N N 67 123.170 123.819 -0.649 1
1 67 . 28 1 1 A 8 8 CYS H H 68 8.170 8.684 -0.514 1
1 68 . 28 1 1 A 8 8 CYS HA H 68 4.280 4.738 -0.458 1
1 72 . 28 1 1 A 8 8 CYS C C 68 172.410 173.417 -1.007 1
1 73 . 28 1 1 A 8 8 CYS CA C 68 58.920 58.641 0.279 1
1 74 . 28 1 1 A 8 8 CYS CB C 68 28.920 28.003 0.917 1
1 75 . 28 1 1 A 8 8 CYS N N 68 124.700 125.342 -0.642 1
1 76 . 28 1 1 A 9 9 LEU H H 69 8.180 7.230 0.950 1
1 77 . 28 1 1 A 9 9 LEU HA H 69 4.580 4.725 -0.145 1
1 87 . 28 1 1 A 9 9 LEU C C 69 176.770 175.771 0.999 1
1 88 . 28 1 1 A 9 9 LEU CA C 69 54.760 53.165 1.595 1
1 89 . 28 1 1 A 9 9 LEU CB C 69 43.150 45.505 -2.355 1
1 93 . 28 1 1 A 9 9 LEU N N 69 122.650 122.019 0.631 1
1 94 . 28 1 1 A 10 10 ARG H H 70 8.880 8.054 0.826 1
1 95 . 28 1 1 A 10 10 ARG HA H 70 4.770 5.283 -0.513 1
1 102 . 28 1 1 A 10 10 ARG C C 70 174.900 174.386 0.514 1
1 103 . 28 1 1 A 10 10 ARG CA C 70 54.710 54.378 0.332 1
1 104 . 28 1 1 A 10 10 ARG CB C 70 33.390 34.416 -1.026 1
1 107 . 28 1 1 A 10 10 ARG N N 70 117.650 120.040 -2.390 1
1 108 . 28 1 1 A 11 11 GLU H H 71 8.640 9.559 -0.919 1
1 109 . 28 1 1 A 11 11 GLU HA H 71 5.090 5.008 0.082 1
1 113 . 28 1 1 A 11 11 GLU C C 71 176.070 175.269 0.801 1
1 114 . 28 1 1 A 11 11 GLU CA C 71 54.270 55.559 -1.289 1
1 115 . 28 1 1 A 11 11 GLU CB C 71 32.460 31.875 0.585 1
1 117 . 28 1 1 A 11 11 GLU N N 71 123.910 124.228 -0.318 1
1 118 . 28 1 1 A 12 12 ASP H H 72 9.510 9.069 0.441 1
1 119 . 28 1 1 A 12 12 ASP HA H 72 4.270 4.566 -0.296 1
1 122 . 28 1 1 A 12 12 ASP C C 72 175.890 176.364 -0.474 1
1 123 . 28 1 1 A 12 12 ASP CA C 72 55.880 55.339 0.541 1
1 124 . 28 1 1 A 12 12 ASP CB C 72 39.910 39.755 0.155 1
1 125 . 28 1 1 A 12 12 ASP N N 72 129.440 128.347 1.093 1
1 126 . 28 1 1 A 13 13 GLY H H 73 8.970 8.652 0.318 1
1 127 . 28 1 1 A 13 13 GLY HA2 H 73 3.520 3.858 -0.338 1
1 128 . 28 1 1 A 13 13 GLY HA3 H 73 4.200 3.861 0.339 1
1 129 . 28 1 1 A 13 13 GLY C C 73 173.960 173.727 0.233 1
1 130 . 28 1 1 A 13 13 GLY CA C 73 45.350 45.377 -0.027 1
1 131 . 28 1 1 A 13 13 GLY N N 73 103.500 103.395 0.105 1
1 132 . 28 1 1 A 14 14 GLU H H 74 7.660 8.048 -0.388 1
1 133 . 28 1 1 A 14 14 GLU HA H 74 4.640 4.640 0.000 1
1 138 . 28 1 1 A 14 14 GLU C C 74 176.170 175.559 0.611 1
1 139 . 28 1 1 A 14 14 GLU CA C 74 54.460 54.945 -0.485 1
1 140 . 28 1 1 A 14 14 GLU CB C 74 32.050 32.240 -0.190 1
1 142 . 28 1 1 A 14 14 GLU N N 74 121.330 120.678 0.652 1
1 143 . 28 1 1 A 15 15 ARG H H 75 9.000 8.583 0.417 1
1 144 . 28 1 1 A 15 15 ARG HA H 75 4.120 4.204 -0.084 1
1 150 . 28 1 1 A 15 15 ARG C C 75 175.230 177.192 -1.962 1
1 151 . 28 1 1 A 15 15 ARG CA C 75 56.640 56.457 0.183 1
1 152 . 28 1 1 A 15 15 ARG CB C 75 29.720 31.297 -1.577 1
1 155 . 28 1 1 A 15 15 ARG N N 75 127.990 125.654 2.336 1
1 156 . 28 1 1 A 16 16 CYS H H 76 8.870 8.496 0.374 1
1 157 . 28 1 1 A 16 16 CYS HA H 76 4.170 4.173 -0.003 1
1 160 . 28 1 1 A 16 16 CYS CA C 76 61.840 61.139 0.701 1
1 161 . 28 1 1 A 16 16 CYS CB C 76 31.150 28.184 2.966 1
1 162 . 28 1 1 A 16 16 CYS N N 76 131.840 123.877 7.963 1
1 163 . 28 1 1 A 17 17 GLY H H 77 8.530 8.163 0.367 1
1 164 . 28 1 1 A 17 17 GLY HA2 H 77 3.680 3.939 -0.259 1
1 165 . 28 1 1 A 17 17 GLY HA3 H 77 4.340 3.952 0.388 1
1 166 . 28 1 1 A 17 17 GLY C C 77 174.620 174.217 0.403 1
1 167 . 28 1 1 A 17 17 GLY CA C 77 45.110 45.078 0.032 1
1 168 . 28 1 1 A 17 17 GLY N N 77 111.930 108.950 2.980 1
1 169 . 28 1 1 A 18 18 ARG H H 78 8.960 7.874 1.086 1
1 170 . 28 1 1 A 18 18 ARG HA H 78 4.290 4.305 -0.015 1
1 177 . 28 1 1 A 18 18 ARG C C 78 175.270 175.952 -0.682 1
1 178 . 28 1 1 A 18 18 ARG CA C 78 56.350 55.784 0.566 1
1 179 . 28 1 1 A 18 18 ARG CB C 78 31.310 31.337 -0.027 1
1 182 . 28 1 1 A 18 18 ARG N N 78 124.390 122.538 1.852 1
1 183 . 28 1 1 A 19 19 ALA H H 79 8.340 8.343 -0.003 1
1 184 . 28 1 1 A 19 19 ALA HA H 79 4.170 4.203 -0.033 1
1 188 . 28 1 1 A 19 19 ALA C C 79 177.620 177.437 0.183 1
1 189 . 28 1 1 A 19 19 ALA CA C 79 52.710 52.391 0.319 1
1 190 . 28 1 1 A 19 19 ALA CB C 79 18.710 19.135 -0.425 1
1 191 . 28 1 1 A 19 19 ALA N N 79 123.880 127.076 -3.196 1
1 192 . 28 1 1 A 20 20 ALA H H 80 8.470 8.988 -0.518 1
1 193 . 28 1 1 A 20 20 ALA HA H 80 3.540 4.575 -1.035 1
1 197 . 28 1 1 A 20 20 ALA C C 80 177.560 178.041 -0.481 1
1 198 . 28 1 1 A 20 20 ALA CA C 80 52.840 51.991 0.849 1
1 199 . 28 1 1 A 20 20 ALA CB C 80 19.050 19.674 -0.624 1
1 200 . 28 1 1 A 20 20 ALA N N 80 124.580 123.134 1.446 1
1 201 . 28 1 1 A 21 21 GLY H H 81 8.090 8.742 -0.652 1
1 202 . 28 1 1 A 21 21 GLY HA2 H 81 3.800 4.171 -0.371 1
1 203 . 28 1 1 A 21 21 GLY HA3 H 81 4.430 4.201 0.229 1
1 204 . 28 1 1 A 21 21 GLY C C 81 173.170 174.845 -1.675 1
1 205 . 28 1 1 A 21 21 GLY CA C 81 44.390 44.386 0.004 1
1 206 . 28 1 1 A 21 21 GLY N N 81 114.000 107.462 6.538 1
1 207 . 28 1 1 A 22 22 ASN H H 82 8.690 8.653 0.037 1
1 208 . 28 1 1 A 22 22 ASN HA H 82 4.650 5.003 -0.353 1
1 213 . 28 1 1 A 22 22 ASN C C 82 176.260 175.484 0.776 1
1 214 . 28 1 1 A 22 22 ASN CA C 82 53.580 52.842 0.738 1
1 215 . 28 1 1 A 22 22 ASN CB C 82 39.580 38.627 0.953 1
1 216 . 28 1 1 A 22 22 ASN N N 82 118.160 120.423 -2.263 1
1 218 . 28 1 1 A 23 23 ALA H H 83 8.720 7.494 1.226 1
1 219 . 28 1 1 A 23 23 ALA HA H 83 4.570 4.641 -0.071 1
1 223 . 28 1 1 A 23 23 ALA C C 83 175.910 176.446 -0.536 1
1 224 . 28 1 1 A 23 23 ALA CA C 83 52.340 51.434 0.906 1
1 225 . 28 1 1 A 23 23 ALA CB C 83 19.370 21.186 -1.816 1
1 226 . 28 1 1 A 23 23 ALA N N 83 125.180 122.008 3.172 1
1 227 . 28 1 1 A 24 24 SER H H 84 7.970 8.893 -0.923 1
1 228 . 28 1 1 A 24 24 SER HA H 84 5.310 5.200 0.110 1
1 230 . 28 1 1 A 24 24 SER C C 84 174.620 172.238 2.382 1
1 231 . 28 1 1 A 24 24 SER CA C 84 56.550 56.634 -0.084 1
1 232 . 28 1 1 A 24 24 SER CB C 84 66.420 66.084 0.336 1
1 233 . 28 1 1 A 24 24 SER N N 84 112.840 111.407 1.433 1
1 234 . 28 1 1 A 25 25 PHE H H 85 9.580 8.945 0.635 1
1 235 . 28 1 1 A 25 25 PHE HA H 85 4.320 4.910 -0.590 1
1 241 . 28 1 1 A 25 25 PHE C C 85 173.430 174.445 -1.015 1
1 242 . 28 1 1 A 25 25 PHE CA C 85 57.780 57.174 0.606 1
1 243 . 28 1 1 A 25 25 PHE CB C 85 38.780 40.394 -1.614 1
1 247 . 28 1 1 A 25 25 PHE N N 85 125.520 124.902 0.618 1
1 248 . 28 1 1 A 26 26 SER H H 86 6.780 8.302 -1.522 1
1 249 . 28 1 1 A 26 26 SER HA H 86 4.430 4.763 -0.333 1
1 252 . 28 1 1 A 26 26 SER C C 86 174.200 174.683 -0.483 1
1 253 . 28 1 1 A 26 26 SER CA C 86 56.610 56.196 0.414 1
1 254 . 28 1 1 A 26 26 SER CB C 86 66.010 65.696 0.314 1
1 255 . 28 1 1 A 26 26 SER N N 86 118.860 118.765 0.095 1
1 256 . 28 1 1 A 27 27 LYS H H 87 8.710 8.606 0.104 1
1 257 . 28 1 1 A 27 27 LYS HA H 87 3.850 3.756 0.094 1
1 263 . 28 1 1 A 27 27 LYS C C 87 178.490 178.910 -0.420 1
1 264 . 28 1 1 A 27 27 LYS CA C 87 59.390 59.166 0.224 1
1 265 . 28 1 1 A 27 27 LYS CB C 87 31.970 32.636 -0.666 1
1 269 . 28 1 1 A 27 27 LYS N N 87 121.790 118.687 3.103 1
1 270 . 28 1 1 A 28 28 ARG H H 88 8.010 7.726 0.284 1
1 271 . 28 1 1 A 28 28 ARG HA H 88 3.990 4.006 -0.016 1
1 277 . 28 1 1 A 28 28 ARG C C 88 178.890 178.705 0.185 1
1 278 . 28 1 1 A 28 28 ARG CA C 88 59.010 58.734 0.276 1
1 279 . 28 1 1 A 28 28 ARG CB C 88 30.120 29.752 0.368 1
1 282 . 28 1 1 A 28 28 ARG N N 88 119.520 119.657 -0.137 1
1 283 . 28 1 1 A 29 29 ILE H H 89 7.350 8.031 -0.681 1
1 284 . 28 1 1 A 29 29 ILE HA H 89 3.680 3.657 0.023 1
1 294 . 28 1 1 A 29 29 ILE C C 89 177.620 177.908 -0.288 1
1 295 . 28 1 1 A 29 29 ILE CA C 89 63.170 65.046 -1.876 1
1 296 . 28 1 1 A 29 29 ILE CB C 89 36.900 36.906 -0.006 1
1 300 . 28 1 1 A 29 29 ILE N N 89 121.980 120.042 1.938 1
1 301 . 28 1 1 A 30 30 GLN H H 90 7.990 7.992 -0.002 1
1 302 . 28 1 1 A 30 30 GLN HA H 90 3.630 3.957 -0.327 1
1 308 . 28 1 1 A 30 30 GLN C C 90 178.320 178.413 -0.093 1
1 309 . 28 1 1 A 30 30 GLN CA C 90 59.200 59.264 -0.064 1
1 310 . 28 1 1 A 30 30 GLN CB C 90 28.700 28.073 0.627 1
1 312 . 28 1 1 A 30 30 GLN N N 90 121.020 120.725 0.295 1
1 314 . 28 1 1 A 31 31 LYS H H 91 7.990 8.099 -0.109 1
1 315 . 28 1 1 A 31 31 LYS HA H 91 4.090 4.081 0.009 1
1 321 . 28 1 1 A 31 31 LYS C C 91 178.650 178.275 0.375 1
1 322 . 28 1 1 A 31 31 LYS CA C 91 58.720 59.301 -0.581 1
1 323 . 28 1 1 A 31 31 LYS CB C 91 32.220 32.233 -0.013 1
1 327 . 28 1 1 A 31 31 LYS N N 91 119.520 120.471 -0.951 1
1 328 . 28 1 1 A 32 32 SER H H 92 7.770 8.056 -0.286 1
1 329 . 28 1 1 A 32 32 SER HA H 92 4.320 4.128 0.192 1
1 332 . 28 1 1 A 32 32 SER C C 92 176.110 177.386 -1.276 1
1 333 . 28 1 1 A 32 32 SER CA C 92 61.260 61.559 -0.299 1
1 334 . 28 1 1 A 32 32 SER CB C 92 63.610 63.022 0.588 1
1 335 . 28 1 1 A 32 32 SER N N 92 116.310 113.676 2.634 1
1 336 . 28 1 1 A 33 33 ILE H H 93 7.960 7.939 0.021 1
1 337 . 28 1 1 A 33 33 ILE HA H 93 3.920 3.529 0.391 1
1 347 . 28 1 1 A 33 33 ILE C C 93 177.480 177.965 -0.485 1
1 348 . 28 1 1 A 33 33 ILE CA C 93 63.610 65.254 -1.644 1
1 349 . 28 1 1 A 33 33 ILE CB C 93 38.330 37.806 0.524 1
1 353 . 28 1 1 A 33 33 ILE N N 93 119.950 122.311 -2.361 1
1 354 . 28 1 1 A 34 34 SER H H 94 7.970 8.278 -0.308 1
1 355 . 28 1 1 A 34 34 SER HA H 94 4.390 4.018 0.372 1
1 357 . 28 1 1 A 34 34 SER C C 94 176.490 177.351 -0.861 1
1 358 . 28 1 1 A 34 34 SER CA C 94 60.560 61.679 -1.119 1
1 359 . 28 1 1 A 34 34 SER CB C 94 63.130 62.814 0.316 1
1 360 . 28 1 1 A 34 34 SER N N 94 117.230 115.176 2.054 1
1 361 . 28 1 1 A 35 35 GLN H H 95 8.220 8.059 0.161 1
1 362 . 28 1 1 A 35 35 GLN HA H 95 4.260 3.991 0.269 1
1 369 . 28 1 1 A 35 35 GLN C C 95 177.050 178.348 -1.298 1
1 370 . 28 1 1 A 35 35 GLN CA C 95 57.360 59.031 -1.671 1
1 371 . 28 1 1 A 35 35 GLN CB C 95 28.900 28.280 0.620 1
1 373 . 28 1 1 A 35 35 GLN N N 95 121.530 120.599 0.931 1
1 375 . 28 1 1 A 36 36 LYS H H 96 7.870 7.732 0.138 1
1 376 . 28 1 1 A 36 36 LYS HA H 96 4.280 4.179 0.101 1
1 383 . 28 1 1 A 36 36 LYS C C 96 176.160 176.454 -0.294 1
1 384 . 28 1 1 A 36 36 LYS CA C 96 56.570 57.661 -1.091 1
1 385 . 28 1 1 A 36 36 LYS CB C 96 33.600 32.655 0.945 1
1 389 . 28 1 1 A 36 36 LYS N N 96 118.550 116.580 1.970 1
1 390 . 28 1 1 A 37 37 LYS H H 97 8.110 8.265 -0.155 1
1 391 . 28 1 1 A 37 37 LYS HA H 97 4.110 3.852 0.258 1
1 396 . 28 1 1 A 37 37 LYS C C 97 176.210 175.418 0.792 1
1 397 . 28 1 1 A 37 37 LYS CA C 97 57.230 57.166 0.064 1
1 398 . 28 1 1 A 37 37 LYS CB C 97 30.580 30.824 -0.244 1
1 402 . 28 1 1 A 37 37 LYS N N 97 117.680 118.181 -0.501 1
1 403 . 28 1 1 A 38 38 VAL H H 98 7.430 7.781 -0.351 1
1 404 . 28 1 1 A 38 38 VAL HA H 98 4.350 4.928 -0.578 1
1 412 . 28 1 1 A 38 38 VAL C C 98 175.830 174.666 1.164 1
1 413 . 28 1 1 A 38 38 VAL CA C 98 60.580 58.591 1.989 1
1 414 . 28 1 1 A 38 38 VAL CB C 98 33.410 35.592 -2.182 1
1 417 . 28 1 1 A 38 38 VAL N N 98 115.860 115.180 0.680 1
1 418 . 28 1 1 A 39 39 LYS H H 99 8.960 8.372 0.588 1
1 419 . 28 1 1 A 39 39 LYS HA H 99 4.430 4.411 0.019 1
1 425 . 28 1 1 A 39 39 LYS C C 99 175.700 174.824 0.876 1
1 426 . 28 1 1 A 39 39 LYS CA C 99 55.420 55.798 -0.378 1
1 427 . 28 1 1 A 39 39 LYS CB C 99 30.580 30.953 -0.373 1
1 431 . 28 1 1 A 39 39 LYS N N 99 127.710 120.723 6.987 1
1 432 . 28 1 1 A 40 40 ILE H H 100 7.660 7.804 -0.144 1
1 433 . 28 1 1 A 40 40 ILE HA H 100 5.020 5.092 -0.072 1
1 443 . 28 1 1 A 40 40 ILE C C 100 174.520 175.239 -0.719 1
1 444 . 28 1 1 A 40 40 ILE CA C 100 59.370 60.766 -1.396 1
1 445 . 28 1 1 A 40 40 ILE CB C 100 40.650 39.831 0.819 1
1 449 . 28 1 1 A 40 40 ILE N N 100 123.140 125.396 -2.256 1
1 450 . 28 1 1 A 41 41 GLU H H 101 8.490 8.944 -0.454 1
1 451 . 28 1 1 A 41 41 GLU HA H 101 4.620 4.956 -0.336 1
1 456 . 28 1 1 A 41 41 GLU C C 101 173.590 175.245 -1.655 1
1 457 . 28 1 1 A 41 41 GLU CA C 101 53.740 54.934 -1.194 1
1 458 . 28 1 1 A 41 41 GLU CB C 101 34.580 31.937 2.643 1
1 460 . 28 1 1 A 41 41 GLU N N 101 123.460 126.354 -2.894 1
1 461 . 28 1 1 A 42 42 LEU H H 102 8.490 8.213 0.277 1
1 462 . 28 1 1 A 42 42 LEU HA H 102 3.790 4.118 -0.328 1
1 472 . 28 1 1 A 42 42 LEU C C 102 176.440 176.091 0.349 1
1 473 . 28 1 1 A 42 42 LEU CA C 102 55.190 54.651 0.539 1
1 474 . 28 1 1 A 42 42 LEU CB C 102 43.100 42.718 0.382 1
1 478 . 28 1 1 A 42 42 LEU N N 102 123.470 123.684 -0.214 1
1 479 . 28 1 1 A 43 43 ASP H H 103 8.770 8.287 0.483 1
1 480 . 28 1 1 A 43 43 ASP HA H 103 4.520 4.611 -0.091 1
1 483 . 28 1 1 A 43 43 ASP C C 103 177.600 175.869 1.731 1
1 484 . 28 1 1 A 43 43 ASP CA C 103 53.740 54.588 -0.848 1
1 485 . 28 1 1 A 43 43 ASP CB C 103 41.880 41.475 0.405 1
1 486 . 28 1 1 A 43 43 ASP N N 103 127.210 125.582 1.628 1
1 487 . 28 1 1 A 44 44 LYS H H 104 8.910 8.710 0.200 1
1 488 . 28 1 1 A 44 44 LYS HA H 104 3.920 4.405 -0.485 1
1 495 . 28 1 1 A 44 44 LYS C C 104 177.340 176.539 0.801 1
1 496 . 28 1 1 A 44 44 LYS CA C 104 58.930 56.517 2.413 1
1 497 . 28 1 1 A 44 44 LYS CB C 104 32.000 32.883 -0.883 1
1 501 . 28 1 1 A 44 44 LYS N N 104 129.080 127.009 2.071 1
1 502 . 28 1 1 A 45 45 SER H H 105 8.740 7.526 1.214 1
1 503 . 28 1 1 A 45 45 SER HA H 105 4.370 4.504 -0.134 1
1 506 . 28 1 1 A 45 45 SER C C 105 175.040 173.996 1.044 1
1 507 . 28 1 1 A 45 45 SER CA C 105 59.150 57.680 1.470 1
1 508 . 28 1 1 A 45 45 SER CB C 105 63.830 63.490 0.340 1
1 509 . 28 1 1 A 45 45 SER N N 105 115.270 114.334 0.936 1
1 510 . 28 1 1 A 46 46 ALA H H 106 7.430 7.562 -0.132 1
1 511 . 28 1 1 A 46 46 ALA HA H 106 4.150 4.554 -0.404 1
1 515 . 28 1 1 A 46 46 ALA CA C 106 53.300 50.220 3.080 1
1 516 . 28 1 1 A 46 46 ALA CB C 106 19.190 20.684 -1.494 1
1 517 . 28 1 1 A 46 46 ALA N N 106 125.120 123.854 1.266 1
1 518 . 28 1 1 A 47 47 ARG HA H 107 4.280 4.529 -0.249 1
1 526 . 28 1 1 A 48 48 HIS HA H 108 4.650 4.661 -0.011 1
1 531 . 28 1 1 A 48 48 HIS C C 108 173.160 174.189 -1.029 1
1 532 . 28 1 1 A 48 48 HIS CA C 108 54.990 55.570 -0.580 1
1 533 . 28 1 1 A 48 48 HIS CB C 108 33.400 31.738 1.662 1
1 538 . 28 1 1 A 49 49 LEU H H 109 8.030 9.096 -1.066 1
1 539 . 28 1 1 A 49 49 LEU HA H 109 5.040 4.803 0.237 1
1 549 . 28 1 1 A 49 49 LEU CA C 109 54.480 54.329 0.151 1
1 550 . 28 1 1 A 49 49 LEU CB C 109 43.010 43.428 -0.418 1
1 554 . 28 1 1 A 49 49 LEU N N 109 120.130 120.163 -0.033 1
1 555 . 28 1 1 A 50 50 TYR HA H 110 5.020 5.434 -0.414 1
1 560 . 28 1 1 A 50 50 TYR C C 110 176.960 175.681 1.279 1
1 561 . 28 1 1 A 50 50 TYR CA C 110 60.340 56.721 3.619 1
1 562 . 28 1 1 A 50 50 TYR CB C 110 39.210 40.970 -1.760 1
1 565 . 28 1 1 A 51 51 ILE H H 111 8.510 8.807 -0.297 1
1 566 . 28 1 1 A 51 51 ILE HA H 111 5.960 4.986 0.974 1
1 576 . 28 1 1 A 51 51 ILE C C 111 177.900 176.101 1.799 1
1 577 . 28 1 1 A 51 51 ILE CA C 111 58.100 59.222 -1.122 1
1 578 . 28 1 1 A 51 51 ILE CB C 111 41.370 40.472 0.898 1
1 582 . 28 1 1 A 51 51 ILE N N 111 115.050 119.636 -4.586 1
1 583 . 28 1 1 A 52 52 CYS H H 112 9.830 8.786 1.044 1
1 584 . 28 1 1 A 52 52 CYS HA H 112 5.000 4.813 0.187 1
1 587 . 28 1 1 A 52 52 CYS C C 112 175.420 175.679 -0.259 1
1 588 . 28 1 1 A 52 52 CYS CA C 112 57.770 57.870 -0.100 1
1 589 . 28 1 1 A 52 52 CYS CB C 112 33.120 30.027 3.093 1
1 590 . 28 1 1 A 52 52 CYS N N 112 125.820 122.205 3.615 1
1 591 . 28 1 1 A 53 53 ASP H H 113 9.000 8.974 0.026 1
1 592 . 28 1 1 A 53 53 ASP HA H 113 4.510 4.341 0.169 1
1 594 . 28 1 1 A 53 53 ASP C C 113 178.140 178.140 0.000 1
1 595 . 28 1 1 A 53 53 ASP CA C 113 57.330 57.468 -0.138 1
1 596 . 28 1 1 A 53 53 ASP CB C 113 39.730 40.406 -0.676 1
1 597 . 28 1 1 A 53 53 ASP N N 113 121.960 120.716 1.244 1
1 598 . 28 1 1 A 54 54 TYR H H 114 8.220 8.273 -0.053 1
1 599 . 28 1 1 A 54 54 TYR HA H 114 4.100 4.127 -0.027 1
1 604 . 28 1 1 A 54 54 TYR C C 114 178.410 177.343 1.067 1
1 605 . 28 1 1 A 54 54 TYR CA C 114 61.970 61.616 0.354 1
1 606 . 28 1 1 A 54 54 TYR CB C 114 37.150 38.442 -1.292 1
1 609 . 28 1 1 A 54 54 TYR N N 114 123.510 121.846 1.664 1
1 610 . 28 1 1 A 55 55 HIS H H 115 10.090 7.868 2.222 1
1 611 . 28 1 1 A 55 55 HIS HA H 115 4.040 4.246 -0.206 1
1 616 . 28 1 1 A 55 55 HIS C C 115 177.240 177.503 -0.263 1
1 617 . 28 1 1 A 55 55 HIS CA C 115 63.870 59.380 4.490 1
1 618 . 28 1 1 A 55 55 HIS CB C 115 29.600 29.803 -0.203 1
1 621 . 28 1 1 A 55 55 HIS N N 115 124.830 117.259 7.571 1
1 624 . 28 1 1 A 56 56 LYS H H 116 8.830 8.247 0.583 1
1 625 . 28 1 1 A 56 56 LYS HA H 116 3.720 3.880 -0.160 1
1 633 . 28 1 1 A 56 56 LYS C C 116 178.140 179.021 -0.881 1
1 634 . 28 1 1 A 56 56 LYS CA C 116 60.590 60.057 0.533 1
1 635 . 28 1 1 A 56 56 LYS CB C 116 32.230 32.259 -0.029 1
1 639 . 28 1 1 A 56 56 LYS N N 116 123.340 120.815 2.525 1
1 640 . 28 1 1 A 57 57 ASN H H 117 8.140 8.304 -0.164 1
1 641 . 28 1 1 A 57 57 ASN HA H 117 4.340 4.503 -0.163 1
1 646 . 28 1 1 A 57 57 ASN C C 117 177.570 177.391 0.179 1
1 647 . 28 1 1 A 57 57 ASN CA C 117 55.890 56.253 -0.363 1
1 648 . 28 1 1 A 57 57 ASN CB C 117 38.070 38.806 -0.736 1
1 649 . 28 1 1 A 57 57 ASN N N 117 116.920 118.406 -1.486 1
1 651 . 28 1 1 A 58 58 LEU H H 118 7.890 7.869 0.021 1
1 652 . 28 1 1 A 58 58 LEU HA H 118 3.930 3.959 -0.029 1
1 662 . 28 1 1 A 58 58 LEU C C 118 179.400 178.691 0.709 1
1 663 . 28 1 1 A 58 58 LEU CA C 118 58.420 58.360 0.060 1
1 664 . 28 1 1 A 58 58 LEU CB C 118 43.170 41.396 1.774 1
1 668 . 28 1 1 A 58 58 LEU N N 118 123.590 120.191 3.399 1
1 669 . 28 1 1 A 59 59 ILE H H 119 8.360 8.185 0.175 1
1 670 . 28 1 1 A 59 59 ILE HA H 119 3.470 3.857 -0.387 1
1 680 . 28 1 1 A 59 59 ILE C C 119 177.290 178.194 -0.904 1
1 681 . 28 1 1 A 59 59 ILE CA C 119 65.260 64.142 1.118 1
1 682 . 28 1 1 A 59 59 ILE CB C 119 38.330 37.535 0.795 1
1 686 . 28 1 1 A 59 59 ILE N N 119 118.630 119.167 -0.537 1
1 687 . 28 1 1 A 60 60 GLN H H 120 7.830 8.263 -0.433 1
1 688 . 28 1 1 A 60 60 GLN HA H 120 4.130 4.059 0.071 1
1 694 . 28 1 1 A 60 60 GLN C C 120 177.240 177.083 0.157 1
1 695 . 28 1 1 A 60 60 GLN CA C 120 57.750 59.190 -1.440 1
1 696 . 28 1 1 A 60 60 GLN CB C 120 28.910 28.945 -0.035 1
1 698 . 28 1 1 A 60 60 GLN N N 120 117.840 120.327 -2.487 1
1 700 . 28 1 1 A 61 61 SER H H 121 7.790 7.940 -0.150 1
1 701 . 28 1 1 A 61 61 SER HA H 121 4.300 4.589 -0.289 1
1 703 . 28 1 1 A 61 61 SER C C 121 175.650 175.009 0.641 1
1 704 . 28 1 1 A 61 61 SER CA C 121 60.090 57.199 2.891 1
1 705 . 28 1 1 A 61 61 SER CB C 121 63.570 62.617 0.953 1
1 706 . 28 1 1 A 61 61 SER N N 121 115.460 113.749 1.711 1
1 707 . 28 1 1 A 62 62 VAL H H 122 8.020 7.746 0.274 1
1 708 . 28 1 1 A 62 62 VAL HA H 122 4.020 4.172 -0.152 1
1 716 . 28 1 1 A 62 62 VAL C C 122 176.960 177.092 -0.132 1
1 717 . 28 1 1 A 62 62 VAL CA C 122 63.600 63.519 0.081 1
1 718 . 28 1 1 A 62 62 VAL CB C 122 32.300 33.129 -0.829 1
1 721 . 28 1 1 A 62 62 VAL N N 122 121.600 122.699 -1.099 1
1 722 . 28 1 1 A 63 63 ARG H H 123 8.130 7.687 0.443 1
1 723 . 28 1 1 A 63 63 ARG HA H 123 4.190 4.420 -0.230 1
1 729 . 28 1 1 A 63 63 ARG C C 123 176.490 175.794 0.696 1
1 730 . 28 1 1 A 63 63 ARG CA C 123 57.070 55.131 1.939 1
1 731 . 28 1 1 A 63 63 ARG CB C 123 30.780 32.047 -1.267 1
1 734 . 28 1 1 A 63 63 ARG N N 123 122.770 119.616 3.154 1
1 735 . 28 1 1 A 64 64 ASN H H 124 8.210 8.209 0.001 1
1 736 . 28 1 1 A 64 64 ASN HA H 124 4.650 4.389 0.261 1
1 741 . 28 1 1 A 64 64 ASN C C 124 175.310 174.927 0.383 1
1 742 . 28 1 1 A 64 64 ASN CA C 124 53.500 53.919 -0.419 1
1 743 . 28 1 1 A 64 64 ASN CB C 124 38.840 36.944 1.896 1
1 744 . 28 1 1 A 64 64 ASN N N 124 119.350 116.967 2.383 1
1 746 . 28 1 1 A 65 65 ARG H H 125 8.100 8.536 -0.436 1
1 747 . 28 1 1 A 65 65 ARG HA H 125 4.270 4.710 -0.440 1
1 752 . 28 1 1 A 65 65 ARG C C 125 176.310 176.543 -0.233 1
1 753 . 28 1 1 A 65 65 ARG CA C 125 56.580 55.133 1.447 1
1 754 . 28 1 1 A 65 65 ARG CB C 125 30.810 30.720 0.090 1
1 757 . 28 1 1 A 65 65 ARG N N 125 122.230 122.292 -0.062 1
1 758 . 28 1 1 A 66 66 ARG H H 126 8.260 7.850 0.410 1
1 759 . 28 1 1 A 66 66 ARG HA H 126 4.270 4.445 -0.175 1
1 764 . 28 1 1 A 66 66 ARG C C 126 176.210 176.830 -0.620 1
1 765 . 28 1 1 A 66 66 ARG CA C 126 56.190 56.539 -0.349 1
1 766 . 28 1 1 A 66 66 ARG CB C 126 30.810 32.981 -2.171 1
1 769 . 28 1 1 A 66 66 ARG N N 126 122.760 119.438 3.322 1
1 770 . 28 1 1 A 67 67 LYS H H 127 8.270 8.001 0.269 1
1 771 . 28 1 1 A 67 67 LYS HA H 127 4.260 4.063 0.197 1
1 776 . 28 1 1 A 67 67 LYS C C 127 176.450 175.494 0.956 1
1 777 . 28 1 1 A 67 67 LYS CA C 127 56.320 58.222 -1.902 1
1 778 . 28 1 1 A 67 67 LYS CB C 127 33.180 31.082 2.098 1
1 782 . 28 1 1 A 67 67 LYS N N 127 123.620 117.483 6.137 1
1 783 . 28 1 1 A 68 68 ARG H H 128 8.340 8.601 -0.261 1
1 784 . 28 1 1 A 68 68 ARG HA H 128 4.270 4.551 -0.281 1
1 788 . 28 1 1 A 68 68 ARG C C 128 176.250 176.026 0.224 1
1 789 . 28 1 1 A 68 68 ARG CA C 128 56.130 54.344 1.786 1
1 790 . 28 1 1 A 68 68 ARG CB C 128 31.060 30.415 0.645 1
1 793 . 28 1 1 A 68 68 ARG N N 128 123.750 122.265 1.485 1
1 794 . 28 1 1 A 69 69 LYS H H 129 8.450 8.734 -0.284 1
1 795 . 28 1 1 A 69 69 LYS HA H 129 4.250 4.239 0.011 1
1 800 . 28 1 1 A 69 69 LYS C C 129 177.010 177.037 -0.027 1
1 801 . 28 1 1 A 69 69 LYS CA C 129 57.000 57.963 -0.963 1
1 802 . 28 1 1 A 69 69 LYS CB C 129 32.940 32.906 0.034 1
1 806 . 28 1 1 A 69 69 LYS N N 129 124.580 126.354 -1.774 1
1 807 . 28 1 1 A 70 70 GLY H H 130 8.500 7.353 1.147 1
1 808 . 28 1 1 A 70 70 GLY HA2 H 130 3.910 4.023 -0.113 1
1 809 . 28 1 1 A 70 70 GLY HA3 H 130 4.010 4.024 -0.014 1
1 810 . 28 1 1 A 70 70 GLY C C 130 173.360 171.956 1.404 1
1 811 . 28 1 1 A 70 70 GLY CA C 130 45.370 45.983 -0.613 1
1 812 . 28 1 1 A 70 70 GLY N N 130 112.470 103.668 8.802 1
1 6 . 29 1 1 A 2 2 ASN HA H 62 4.610 4.392 0.218 1
1 10 . 29 1 1 A 2 2 ASN C C 62 174.760 175.759 -0.999 1
1 11 . 29 1 1 A 2 2 ASN CA C 62 53.100 54.244 -1.144 1
1 12 . 29 1 1 A 2 2 ASN CB C 62 38.790 38.251 0.539 1
1 14 . 29 1 1 A 3 3 ALA H H 63 8.300 7.878 0.422 1
1 15 . 29 1 1 A 3 3 ALA HA H 63 4.200 4.475 -0.275 1
1 19 . 29 1 1 A 3 3 ALA C C 63 178.180 177.142 1.038 1
1 20 . 29 1 1 A 3 3 ALA CA C 63 53.070 51.577 1.493 1
1 21 . 29 1 1 A 3 3 ALA CB C 63 18.960 20.889 -1.929 1
1 22 . 29 1 1 A 3 3 ALA N N 63 125.390 119.459 5.931 1
1 23 . 29 1 1 A 4 4 GLY H H 64 8.340 8.039 0.301 1
1 24 . 29 1 1 A 4 4 GLY HA2 H 64 3.800 3.895 -0.095 1
1 25 . 29 1 1 A 4 4 GLY HA3 H 64 3.860 3.902 -0.042 1
1 26 . 29 1 1 A 4 4 GLY C C 64 174.010 173.712 0.298 1
1 27 . 29 1 1 A 4 4 GLY CA C 64 45.350 46.882 -1.532 1
1 28 . 29 1 1 A 4 4 GLY N N 64 109.300 106.537 2.763 1
1 29 . 29 1 1 A 5 5 GLN H H 65 7.950 8.029 -0.079 1
1 30 . 29 1 1 A 5 5 GLN HA H 65 4.330 4.613 -0.283 1
1 35 . 29 1 1 A 5 5 GLN C C 65 175.560 175.149 0.411 1
1 36 . 29 1 1 A 5 5 GLN CA C 65 55.400 55.642 -0.242 1
1 37 . 29 1 1 A 5 5 GLN CB C 65 29.860 30.491 -0.631 1
1 39 . 29 1 1 A 5 5 GLN N N 65 119.540 121.745 -2.205 1
1 41 . 29 1 1 A 6 6 LEU H H 66 8.740 8.781 -0.041 1
1 42 . 29 1 1 A 6 6 LEU HA H 66 4.610 4.907 -0.297 1
1 52 . 29 1 1 A 6 6 LEU C C 66 175.750 175.066 0.684 1
1 53 . 29 1 1 A 6 6 LEU CA C 66 54.010 53.151 0.859 1
1 54 . 29 1 1 A 6 6 LEU CB C 66 43.490 45.706 -2.216 1
1 58 . 29 1 1 A 6 6 LEU N N 66 126.120 120.461 5.659 1
1 59 . 29 1 1 A 7 7 CYS H H 67 8.470 8.651 -0.181 1
1 60 . 29 1 1 A 7 7 CYS HA H 67 4.140 4.403 -0.263 1
1 63 . 29 1 1 A 7 7 CYS C C 67 175.320 176.157 -0.837 1
1 64 . 29 1 1 A 7 7 CYS CA C 67 60.780 59.990 0.790 1
1 65 . 29 1 1 A 7 7 CYS CB C 67 32.850 28.488 4.362 1
1 66 . 29 1 1 A 7 7 CYS N N 67 123.170 124.350 -1.180 1
1 67 . 29 1 1 A 8 8 CYS H H 68 8.170 8.227 -0.057 1
1 68 . 29 1 1 A 8 8 CYS HA H 68 4.280 4.655 -0.375 1
1 72 . 29 1 1 A 8 8 CYS C C 68 172.410 174.336 -1.926 1
1 73 . 29 1 1 A 8 8 CYS CA C 68 58.920 58.649 0.271 1
1 74 . 29 1 1 A 8 8 CYS CB C 68 28.920 27.937 0.983 1
1 75 . 29 1 1 A 8 8 CYS N N 68 124.700 122.300 2.400 1
1 76 . 29 1 1 A 9 9 LEU H H 69 8.180 7.236 0.944 1
1 77 . 29 1 1 A 9 9 LEU HA H 69 4.580 4.664 -0.084 1
1 87 . 29 1 1 A 9 9 LEU C C 69 176.770 176.005 0.765 1
1 88 . 29 1 1 A 9 9 LEU CA C 69 54.760 53.053 1.707 1
1 89 . 29 1 1 A 9 9 LEU CB C 69 43.150 45.005 -1.855 1
1 93 . 29 1 1 A 9 9 LEU N N 69 122.650 123.108 -0.458 1
1 94 . 29 1 1 A 10 10 ARG H H 70 8.880 8.251 0.629 1
1 95 . 29 1 1 A 10 10 ARG HA H 70 4.770 5.221 -0.451 1
1 102 . 29 1 1 A 10 10 ARG C C 70 174.900 174.053 0.847 1
1 103 . 29 1 1 A 10 10 ARG CA C 70 54.710 54.062 0.648 1
1 104 . 29 1 1 A 10 10 ARG CB C 70 33.390 32.234 1.156 1
1 107 . 29 1 1 A 10 10 ARG N N 70 117.650 120.470 -2.820 1
1 108 . 29 1 1 A 11 11 GLU H H 71 8.640 8.935 -0.295 1
1 109 . 29 1 1 A 11 11 GLU HA H 71 5.090 4.630 0.460 1
1 113 . 29 1 1 A 11 11 GLU C C 71 176.070 175.458 0.612 1
1 114 . 29 1 1 A 11 11 GLU CA C 71 54.270 55.433 -1.163 1
1 115 . 29 1 1 A 11 11 GLU CB C 71 32.460 31.563 0.897 1
1 117 . 29 1 1 A 11 11 GLU N N 71 123.910 125.557 -1.647 1
1 118 . 29 1 1 A 12 12 ASP H H 72 9.510 9.022 0.488 1
1 119 . 29 1 1 A 12 12 ASP HA H 72 4.270 4.429 -0.159 1
1 122 . 29 1 1 A 12 12 ASP C C 72 175.890 176.295 -0.405 1
1 123 . 29 1 1 A 12 12 ASP CA C 72 55.880 55.320 0.560 1
1 124 . 29 1 1 A 12 12 ASP CB C 72 39.910 39.779 0.131 1
1 125 . 29 1 1 A 12 12 ASP N N 72 129.440 128.222 1.218 1
1 126 . 29 1 1 A 13 13 GLY H H 73 8.970 8.556 0.414 1
1 127 . 29 1 1 A 13 13 GLY HA2 H 73 3.520 3.850 -0.330 1
1 128 . 29 1 1 A 13 13 GLY HA3 H 73 4.200 3.854 0.346 1
1 129 . 29 1 1 A 13 13 GLY C C 73 173.960 173.754 0.206 1
1 130 . 29 1 1 A 13 13 GLY CA C 73 45.350 45.380 -0.030 1
1 131 . 29 1 1 A 13 13 GLY N N 73 103.500 104.065 -0.565 1
1 132 . 29 1 1 A 14 14 GLU H H 74 7.660 8.052 -0.392 1
1 133 . 29 1 1 A 14 14 GLU HA H 74 4.640 4.433 0.207 1
1 138 . 29 1 1 A 14 14 GLU C C 74 176.170 175.753 0.417 1
1 139 . 29 1 1 A 14 14 GLU CA C 74 54.460 55.723 -1.263 1
1 140 . 29 1 1 A 14 14 GLU CB C 74 32.050 30.612 1.438 1
1 142 . 29 1 1 A 14 14 GLU N N 74 121.330 120.310 1.020 1
1 143 . 29 1 1 A 15 15 ARG H H 75 9.000 8.552 0.448 1
1 144 . 29 1 1 A 15 15 ARG HA H 75 4.120 4.347 -0.227 1
1 150 . 29 1 1 A 15 15 ARG C C 75 175.230 176.018 -0.788 1
1 151 . 29 1 1 A 15 15 ARG CA C 75 56.640 54.989 1.651 1
1 152 . 29 1 1 A 15 15 ARG CB C 75 29.720 28.662 1.058 1
1 155 . 29 1 1 A 15 15 ARG N N 75 127.990 124.877 3.113 1
1 156 . 29 1 1 A 16 16 CYS H H 76 8.870 9.179 -0.309 1
1 157 . 29 1 1 A 16 16 CYS HA H 76 4.170 4.323 -0.153 1
1 160 . 29 1 1 A 16 16 CYS CA C 76 61.840 61.194 0.646 1
1 161 . 29 1 1 A 16 16 CYS CB C 76 31.150 27.862 3.288 1
1 162 . 29 1 1 A 16 16 CYS N N 76 131.840 125.085 6.755 1
1 163 . 29 1 1 A 17 17 GLY H H 77 8.530 7.921 0.609 1
1 164 . 29 1 1 A 17 17 GLY HA2 H 77 3.680 3.980 -0.300 1
1 165 . 29 1 1 A 17 17 GLY HA3 H 77 4.340 3.998 0.342 1
1 166 . 29 1 1 A 17 17 GLY C C 77 174.620 174.315 0.305 1
1 167 . 29 1 1 A 17 17 GLY CA C 77 45.110 45.093 0.017 1
1 168 . 29 1 1 A 17 17 GLY N N 77 111.930 108.325 3.605 1
1 169 . 29 1 1 A 18 18 ARG H H 78 8.960 7.793 1.167 1
1 170 . 29 1 1 A 18 18 ARG HA H 78 4.290 4.335 -0.045 1
1 177 . 29 1 1 A 18 18 ARG C C 78 175.270 175.828 -0.558 1
1 178 . 29 1 1 A 18 18 ARG CA C 78 56.350 55.789 0.561 1
1 179 . 29 1 1 A 18 18 ARG CB C 78 31.310 31.428 -0.118 1
1 182 . 29 1 1 A 18 18 ARG N N 78 124.390 122.432 1.958 1
1 183 . 29 1 1 A 19 19 ALA H H 79 8.340 8.450 -0.110 1
1 184 . 29 1 1 A 19 19 ALA HA H 79 4.170 4.600 -0.430 1
1 188 . 29 1 1 A 19 19 ALA C C 79 177.620 177.335 0.285 1
1 189 . 29 1 1 A 19 19 ALA CA C 79 52.710 51.755 0.955 1
1 190 . 29 1 1 A 19 19 ALA CB C 79 18.710 19.162 -0.452 1
1 191 . 29 1 1 A 19 19 ALA N N 79 123.880 127.112 -3.232 1
1 192 . 29 1 1 A 20 20 ALA H H 80 8.470 8.072 0.398 1
1 193 . 29 1 1 A 20 20 ALA HA H 80 3.540 4.486 -0.946 1
1 197 . 29 1 1 A 20 20 ALA C C 80 177.560 177.541 0.019 1
1 198 . 29 1 1 A 20 20 ALA CA C 80 52.840 52.054 0.786 1
1 199 . 29 1 1 A 20 20 ALA CB C 80 19.050 19.750 -0.700 1
1 200 . 29 1 1 A 20 20 ALA N N 80 124.580 122.731 1.849 1
1 201 . 29 1 1 A 21 21 GLY H H 81 8.090 8.323 -0.233 1
1 202 . 29 1 1 A 21 21 GLY HA2 H 81 3.800 4.161 -0.361 1
1 203 . 29 1 1 A 21 21 GLY HA3 H 81 4.430 4.188 0.242 1
1 204 . 29 1 1 A 21 21 GLY C C 81 173.170 174.019 -0.849 1
1 205 . 29 1 1 A 21 21 GLY CA C 81 44.390 44.690 -0.300 1
1 206 . 29 1 1 A 21 21 GLY N N 81 114.000 106.604 7.396 1
1 207 . 29 1 1 A 22 22 ASN H H 82 8.690 8.512 0.178 1
1 208 . 29 1 1 A 22 22 ASN HA H 82 4.650 5.011 -0.361 1
1 213 . 29 1 1 A 22 22 ASN C C 82 176.260 174.874 1.386 1
1 214 . 29 1 1 A 22 22 ASN CA C 82 53.580 52.505 1.075 1
1 215 . 29 1 1 A 22 22 ASN CB C 82 39.580 39.346 0.234 1
1 216 . 29 1 1 A 22 22 ASN N N 82 118.160 118.761 -0.601 1
1 218 . 29 1 1 A 23 23 ALA H H 83 8.720 7.549 1.171 1
1 219 . 29 1 1 A 23 23 ALA HA H 83 4.570 4.523 0.047 1
1 223 . 29 1 1 A 23 23 ALA C C 83 175.910 176.199 -0.289 1
1 224 . 29 1 1 A 23 23 ALA CA C 83 52.340 51.622 0.718 1
1 225 . 29 1 1 A 23 23 ALA CB C 83 19.370 21.151 -1.781 1
1 226 . 29 1 1 A 23 23 ALA N N 83 125.180 122.857 2.323 1
1 227 . 29 1 1 A 24 24 SER H H 84 7.970 8.524 -0.554 1
1 228 . 29 1 1 A 24 24 SER HA H 84 5.310 5.139 0.171 1
1 230 . 29 1 1 A 24 24 SER C C 84 174.620 172.118 2.502 1
1 231 . 29 1 1 A 24 24 SER CA C 84 56.550 57.350 -0.800 1
1 232 . 29 1 1 A 24 24 SER CB C 84 66.420 66.765 -0.345 1
1 233 . 29 1 1 A 24 24 SER N N 84 112.840 114.583 -1.743 1
1 234 . 29 1 1 A 25 25 PHE H H 85 9.580 8.969 0.611 1
1 235 . 29 1 1 A 25 25 PHE HA H 85 4.320 4.833 -0.513 1
1 241 . 29 1 1 A 25 25 PHE C C 85 173.430 174.571 -1.141 1
1 242 . 29 1 1 A 25 25 PHE CA C 85 57.780 58.264 -0.484 1
1 243 . 29 1 1 A 25 25 PHE CB C 85 38.780 40.561 -1.781 1
1 247 . 29 1 1 A 25 25 PHE N N 85 125.520 125.490 0.030 1
1 248 . 29 1 1 A 26 26 SER H H 86 6.780 8.294 -1.514 1
1 249 . 29 1 1 A 26 26 SER HA H 86 4.430 4.766 -0.336 1
1 252 . 29 1 1 A 26 26 SER C C 86 174.200 174.484 -0.284 1
1 253 . 29 1 1 A 26 26 SER CA C 86 56.610 56.352 0.258 1
1 254 . 29 1 1 A 26 26 SER CB C 86 66.010 65.635 0.375 1
1 255 . 29 1 1 A 26 26 SER N N 86 118.860 119.506 -0.646 1
1 256 . 29 1 1 A 27 27 LYS H H 87 8.710 8.714 -0.004 1
1 257 . 29 1 1 A 27 27 LYS HA H 87 3.850 3.754 0.096 1
1 263 . 29 1 1 A 27 27 LYS C C 87 178.490 178.655 -0.165 1
1 264 . 29 1 1 A 27 27 LYS CA C 87 59.390 59.109 0.281 1
1 265 . 29 1 1 A 27 27 LYS CB C 87 31.970 32.692 -0.722 1
1 269 . 29 1 1 A 27 27 LYS N N 87 121.790 118.897 2.893 1
1 270 . 29 1 1 A 28 28 ARG H H 88 8.010 7.705 0.305 1
1 271 . 29 1 1 A 28 28 ARG HA H 88 3.990 4.000 -0.010 1
1 277 . 29 1 1 A 28 28 ARG C C 88 178.890 178.745 0.145 1
1 278 . 29 1 1 A 28 28 ARG CA C 88 59.010 58.716 0.294 1
1 279 . 29 1 1 A 28 28 ARG CB C 88 30.120 29.942 0.178 1
1 282 . 29 1 1 A 28 28 ARG N N 88 119.520 119.733 -0.213 1
1 283 . 29 1 1 A 29 29 ILE H H 89 7.350 7.483 -0.133 1
1 284 . 29 1 1 A 29 29 ILE HA H 89 3.680 3.639 0.041 1
1 294 . 29 1 1 A 29 29 ILE C C 89 177.620 177.737 -0.117 1
1 295 . 29 1 1 A 29 29 ILE CA C 89 63.170 65.031 -1.861 1
1 296 . 29 1 1 A 29 29 ILE CB C 89 36.900 37.497 -0.597 1
1 300 . 29 1 1 A 29 29 ILE N N 89 121.980 119.656 2.324 1
1 301 . 29 1 1 A 30 30 GLN H H 90 7.990 7.910 0.080 1
1 302 . 29 1 1 A 30 30 GLN HA H 90 3.630 4.027 -0.397 1
1 308 . 29 1 1 A 30 30 GLN C C 90 178.320 178.570 -0.250 1
1 309 . 29 1 1 A 30 30 GLN CA C 90 59.200 59.322 -0.122 1
1 310 . 29 1 1 A 30 30 GLN CB C 90 28.700 28.604 0.096 1
1 312 . 29 1 1 A 30 30 GLN N N 90 121.020 119.460 1.560 1
1 314 . 29 1 1 A 31 31 LYS H H 91 7.990 8.097 -0.107 1
1 315 . 29 1 1 A 31 31 LYS HA H 91 4.090 4.070 0.020 1
1 321 . 29 1 1 A 31 31 LYS C C 91 178.650 178.689 -0.039 1
1 322 . 29 1 1 A 31 31 LYS CA C 91 58.720 59.137 -0.417 1
1 323 . 29 1 1 A 31 31 LYS CB C 91 32.220 32.120 0.100 1
1 327 . 29 1 1 A 31 31 LYS N N 91 119.520 119.571 -0.051 1
1 328 . 29 1 1 A 32 32 SER H H 92 7.770 8.124 -0.354 1
1 329 . 29 1 1 A 32 32 SER HA H 92 4.320 4.220 0.100 1
1 332 . 29 1 1 A 32 32 SER C C 92 176.110 176.970 -0.860 1
1 333 . 29 1 1 A 32 32 SER CA C 92 61.260 61.020 0.240 1
1 334 . 29 1 1 A 32 32 SER CB C 92 63.610 63.085 0.525 1
1 335 . 29 1 1 A 32 32 SER N N 92 116.310 114.444 1.866 1
1 336 . 29 1 1 A 33 33 ILE H H 93 7.960 7.899 0.061 1
1 337 . 29 1 1 A 33 33 ILE HA H 93 3.920 3.843 0.077 1
1 347 . 29 1 1 A 33 33 ILE C C 93 177.480 177.990 -0.510 1
1 348 . 29 1 1 A 33 33 ILE CA C 93 63.610 64.536 -0.926 1
1 349 . 29 1 1 A 33 33 ILE CB C 93 38.330 37.740 0.590 1
1 353 . 29 1 1 A 33 33 ILE N N 93 119.950 122.162 -2.212 1
1 354 . 29 1 1 A 34 34 SER H H 94 7.970 8.306 -0.336 1
1 355 . 29 1 1 A 34 34 SER HA H 94 4.390 4.018 0.372 1
1 357 . 29 1 1 A 34 34 SER C C 94 176.490 177.215 -0.725 1
1 358 . 29 1 1 A 34 34 SER CA C 94 60.560 61.679 -1.119 1
1 359 . 29 1 1 A 34 34 SER CB C 94 63.130 62.859 0.271 1
1 360 . 29 1 1 A 34 34 SER N N 94 117.230 115.741 1.489 1
1 361 . 29 1 1 A 35 35 GLN H H 95 8.220 8.102 0.118 1
1 362 . 29 1 1 A 35 35 GLN HA H 95 4.260 4.044 0.216 1
1 369 . 29 1 1 A 35 35 GLN C C 95 177.050 178.166 -1.116 1
1 370 . 29 1 1 A 35 35 GLN CA C 95 57.360 58.984 -1.624 1
1 371 . 29 1 1 A 35 35 GLN CB C 95 28.900 28.319 0.581 1
1 373 . 29 1 1 A 35 35 GLN N N 95 121.530 120.565 0.965 1
1 375 . 29 1 1 A 36 36 LYS H H 96 7.870 7.498 0.372 1
1 376 . 29 1 1 A 36 36 LYS HA H 96 4.280 4.174 0.106 1
1 383 . 29 1 1 A 36 36 LYS C C 96 176.160 176.340 -0.180 1
1 384 . 29 1 1 A 36 36 LYS CA C 96 56.570 58.153 -1.583 1
1 385 . 29 1 1 A 36 36 LYS CB C 96 33.600 33.063 0.537 1
1 389 . 29 1 1 A 36 36 LYS N N 96 118.550 116.113 2.437 1
1 390 . 29 1 1 A 37 37 LYS H H 97 8.110 8.745 -0.635 1
1 391 . 29 1 1 A 37 37 LYS HA H 97 4.110 4.048 0.062 1
1 396 . 29 1 1 A 37 37 LYS C C 97 176.210 175.577 0.633 1
1 397 . 29 1 1 A 37 37 LYS CA C 97 57.230 56.840 0.390 1
1 398 . 29 1 1 A 37 37 LYS CB C 97 30.580 30.749 -0.169 1
1 402 . 29 1 1 A 37 37 LYS N N 97 117.680 117.035 0.645 1
1 403 . 29 1 1 A 38 38 VAL H H 98 7.430 7.851 -0.421 1
1 404 . 29 1 1 A 38 38 VAL HA H 98 4.350 4.936 -0.586 1
1 412 . 29 1 1 A 38 38 VAL C C 98 175.830 174.731 1.099 1
1 413 . 29 1 1 A 38 38 VAL CA C 98 60.580 58.701 1.879 1
1 414 . 29 1 1 A 38 38 VAL CB C 98 33.410 35.939 -2.529 1
1 417 . 29 1 1 A 38 38 VAL N N 98 115.860 116.200 -0.340 1
1 418 . 29 1 1 A 39 39 LYS H H 99 8.960 8.412 0.548 1
1 419 . 29 1 1 A 39 39 LYS HA H 99 4.430 4.413 0.017 1
1 425 . 29 1 1 A 39 39 LYS C C 99 175.700 174.909 0.791 1
1 426 . 29 1 1 A 39 39 LYS CA C 99 55.420 56.067 -0.647 1
1 427 . 29 1 1 A 39 39 LYS CB C 99 30.580 30.688 -0.108 1
1 431 . 29 1 1 A 39 39 LYS N N 99 127.710 120.969 6.741 1
1 432 . 29 1 1 A 40 40 ILE H H 100 7.660 7.601 0.059 1
1 433 . 29 1 1 A 40 40 ILE HA H 100 5.020 5.020 0.000 1
1 443 . 29 1 1 A 40 40 ILE C C 100 174.520 174.908 -0.388 1
1 444 . 29 1 1 A 40 40 ILE CA C 100 59.370 60.455 -1.085 1
1 445 . 29 1 1 A 40 40 ILE CB C 100 40.650 39.470 1.180 1
1 449 . 29 1 1 A 40 40 ILE N N 100 123.140 123.432 -0.292 1
1 450 . 29 1 1 A 41 41 GLU H H 101 8.490 8.983 -0.493 1
1 451 . 29 1 1 A 41 41 GLU HA H 101 4.620 4.948 -0.328 1
1 456 . 29 1 1 A 41 41 GLU C C 101 173.590 174.928 -1.338 1
1 457 . 29 1 1 A 41 41 GLU CA C 101 53.740 54.589 -0.849 1
1 458 . 29 1 1 A 41 41 GLU CB C 101 34.580 33.099 1.481 1
1 460 . 29 1 1 A 41 41 GLU N N 101 123.460 125.055 -1.595 1
1 461 . 29 1 1 A 42 42 LEU H H 102 8.490 8.394 0.096 1
1 462 . 29 1 1 A 42 42 LEU HA H 102 3.790 4.572 -0.782 1
1 472 . 29 1 1 A 42 42 LEU C C 102 176.440 175.539 0.901 1
1 473 . 29 1 1 A 42 42 LEU CA C 102 55.190 54.057 1.133 1
1 474 . 29 1 1 A 42 42 LEU CB C 102 43.100 44.008 -0.908 1
1 478 . 29 1 1 A 42 42 LEU N N 102 123.470 123.523 -0.053 1
1 479 . 29 1 1 A 43 43 ASP H H 103 8.770 8.250 0.520 1
1 480 . 29 1 1 A 43 43 ASP HA H 103 4.520 4.655 -0.135 1
1 483 . 29 1 1 A 43 43 ASP C C 103 177.600 176.766 0.834 1
1 484 . 29 1 1 A 43 43 ASP CA C 103 53.740 53.618 0.122 1
1 485 . 29 1 1 A 43 43 ASP CB C 103 41.880 41.024 0.856 1
1 486 . 29 1 1 A 43 43 ASP N N 103 127.210 126.378 0.832 1
1 487 . 29 1 1 A 44 44 LYS H H 104 8.910 8.961 -0.051 1
1 488 . 29 1 1 A 44 44 LYS HA H 104 3.920 4.189 -0.269 1
1 495 . 29 1 1 A 44 44 LYS C C 104 177.340 177.750 -0.410 1
1 496 . 29 1 1 A 44 44 LYS CA C 104 58.930 57.848 1.082 1
1 497 . 29 1 1 A 44 44 LYS CB C 104 32.000 32.300 -0.300 1
1 501 . 29 1 1 A 44 44 LYS N N 104 129.080 127.081 1.999 1
1 502 . 29 1 1 A 45 45 SER H H 105 8.740 7.789 0.951 1
1 503 . 29 1 1 A 45 45 SER HA H 105 4.370 4.501 -0.131 1
1 506 . 29 1 1 A 45 45 SER C C 105 175.040 174.469 0.571 1
1 507 . 29 1 1 A 45 45 SER CA C 105 59.150 58.276 0.874 1
1 508 . 29 1 1 A 45 45 SER CB C 105 63.830 62.611 1.219 1
1 509 . 29 1 1 A 45 45 SER N N 105 115.270 113.059 2.211 1
1 510 . 29 1 1 A 46 46 ALA H H 106 7.430 7.331 0.099 1
1 511 . 29 1 1 A 46 46 ALA HA H 106 4.150 4.185 -0.035 1
1 515 . 29 1 1 A 46 46 ALA CA C 106 53.300 52.188 1.112 1
1 516 . 29 1 1 A 46 46 ALA CB C 106 19.190 20.002 -0.812 1
1 517 . 29 1 1 A 46 46 ALA N N 106 125.120 124.522 0.598 1
1 518 . 29 1 1 A 47 47 ARG HA H 107 4.280 4.593 -0.313 1
1 526 . 29 1 1 A 48 48 HIS HA H 108 4.650 5.070 -0.420 1
1 531 . 29 1 1 A 48 48 HIS C C 108 173.160 172.531 0.629 1
1 532 . 29 1 1 A 48 48 HIS CA C 108 54.990 54.533 0.457 1
1 533 . 29 1 1 A 48 48 HIS CB C 108 33.400 32.380 1.020 1
1 538 . 29 1 1 A 49 49 LEU H H 109 8.030 8.914 -0.884 1
1 539 . 29 1 1 A 49 49 LEU HA H 109 5.040 4.841 0.199 1
1 549 . 29 1 1 A 49 49 LEU CA C 109 54.480 54.361 0.119 1
1 550 . 29 1 1 A 49 49 LEU CB C 109 43.010 43.441 -0.431 1
1 554 . 29 1 1 A 49 49 LEU N N 109 120.130 119.859 0.271 1
1 555 . 29 1 1 A 50 50 TYR HA H 110 5.020 5.206 -0.186 1
1 560 . 29 1 1 A 50 50 TYR C C 110 176.960 175.068 1.892 1
1 561 . 29 1 1 A 50 50 TYR CA C 110 60.340 56.772 3.568 1
1 562 . 29 1 1 A 50 50 TYR CB C 110 39.210 42.441 -3.231 1
1 565 . 29 1 1 A 51 51 ILE H H 111 8.510 8.744 -0.234 1
1 566 . 29 1 1 A 51 51 ILE HA H 111 5.960 4.977 0.983 1
1 576 . 29 1 1 A 51 51 ILE C C 111 177.900 175.444 2.456 1
1 577 . 29 1 1 A 51 51 ILE CA C 111 58.100 59.065 -0.965 1
1 578 . 29 1 1 A 51 51 ILE CB C 111 41.370 41.068 0.302 1
1 582 . 29 1 1 A 51 51 ILE N N 111 115.050 118.249 -3.199 1
1 583 . 29 1 1 A 52 52 CYS H H 112 9.830 8.835 0.995 1
1 584 . 29 1 1 A 52 52 CYS HA H 112 5.000 4.547 0.453 1
1 587 . 29 1 1 A 52 52 CYS C C 112 175.420 175.662 -0.242 1
1 588 . 29 1 1 A 52 52 CYS CA C 112 57.770 58.822 -1.052 1
1 589 . 29 1 1 A 52 52 CYS CB C 112 33.120 28.794 4.326 1
1 590 . 29 1 1 A 52 52 CYS N N 112 125.820 121.961 3.859 1
1 591 . 29 1 1 A 53 53 ASP H H 113 9.000 9.000 0.000 1
1 592 . 29 1 1 A 53 53 ASP HA H 113 4.510 4.310 0.200 1
1 594 . 29 1 1 A 53 53 ASP C C 113 178.140 178.079 0.061 1
1 595 . 29 1 1 A 53 53 ASP CA C 113 57.330 57.341 -0.011 1
1 596 . 29 1 1 A 53 53 ASP CB C 113 39.730 40.325 -0.595 1
1 597 . 29 1 1 A 53 53 ASP N N 113 121.960 121.373 0.587 1
1 598 . 29 1 1 A 54 54 TYR H H 114 8.220 8.178 0.042 1
1 599 . 29 1 1 A 54 54 TYR HA H 114 4.100 4.217 -0.117 1
1 604 . 29 1 1 A 54 54 TYR C C 114 178.410 177.228 1.182 1
1 605 . 29 1 1 A 54 54 TYR CA C 114 61.970 61.652 0.318 1
1 606 . 29 1 1 A 54 54 TYR CB C 114 37.150 39.119 -1.969 1
1 609 . 29 1 1 A 54 54 TYR N N 114 123.510 122.610 0.900 1
1 610 . 29 1 1 A 55 55 HIS H H 115 10.090 8.276 1.814 1
1 611 . 29 1 1 A 55 55 HIS HA H 115 4.040 4.308 -0.268 1
1 616 . 29 1 1 A 55 55 HIS C C 115 177.240 177.537 -0.297 1
1 617 . 29 1 1 A 55 55 HIS CA C 115 63.870 59.815 4.055 1
1 618 . 29 1 1 A 55 55 HIS CB C 115 29.600 29.902 -0.302 1
1 621 . 29 1 1 A 55 55 HIS N N 115 124.830 117.096 7.734 1
1 624 . 29 1 1 A 56 56 LYS H H 116 8.830 8.354 0.476 1
1 625 . 29 1 1 A 56 56 LYS HA H 116 3.720 3.889 -0.169 1
1 633 . 29 1 1 A 56 56 LYS C C 116 178.140 178.884 -0.744 1
1 634 . 29 1 1 A 56 56 LYS CA C 116 60.590 60.026 0.564 1
1 635 . 29 1 1 A 56 56 LYS CB C 116 32.230 32.588 -0.358 1
1 639 . 29 1 1 A 56 56 LYS N N 116 123.340 120.717 2.623 1
1 640 . 29 1 1 A 57 57 ASN H H 117 8.140 8.210 -0.070 1
1 641 . 29 1 1 A 57 57 ASN HA H 117 4.340 4.494 -0.154 1
1 646 . 29 1 1 A 57 57 ASN C C 117 177.570 177.463 0.107 1
1 647 . 29 1 1 A 57 57 ASN CA C 117 55.890 56.285 -0.395 1
1 648 . 29 1 1 A 57 57 ASN CB C 117 38.070 38.764 -0.694 1
1 649 . 29 1 1 A 57 57 ASN N N 117 116.920 118.388 -1.468 1
1 651 . 29 1 1 A 58 58 LEU H H 118 7.890 7.896 -0.006 1
1 652 . 29 1 1 A 58 58 LEU HA H 118 3.930 3.989 -0.059 1
1 662 . 29 1 1 A 58 58 LEU C C 118 179.400 178.828 0.572 1
1 663 . 29 1 1 A 58 58 LEU CA C 118 58.420 57.930 0.490 1
1 664 . 29 1 1 A 58 58 LEU CB C 118 43.170 41.684 1.486 1
1 668 . 29 1 1 A 58 58 LEU N N 118 123.590 120.256 3.334 1
1 669 . 29 1 1 A 59 59 ILE H H 119 8.360 7.656 0.704 1
1 670 . 29 1 1 A 59 59 ILE HA H 119 3.470 3.940 -0.470 1
1 680 . 29 1 1 A 59 59 ILE C C 119 177.290 178.062 -0.772 1
1 681 . 29 1 1 A 59 59 ILE CA C 119 65.260 63.949 1.311 1
1 682 . 29 1 1 A 59 59 ILE CB C 119 38.330 37.963 0.367 1
1 686 . 29 1 1 A 59 59 ILE N N 119 118.630 118.619 0.011 1
1 687 . 29 1 1 A 60 60 GLN H H 120 7.830 8.513 -0.683 1
1 688 . 29 1 1 A 60 60 GLN HA H 120 4.130 3.950 0.180 1
1 694 . 29 1 1 A 60 60 GLN C C 120 177.240 178.173 -0.933 1
1 695 . 29 1 1 A 60 60 GLN CA C 120 57.750 59.089 -1.339 1
1 696 . 29 1 1 A 60 60 GLN CB C 120 28.910 28.458 0.452 1
1 698 . 29 1 1 A 60 60 GLN N N 120 117.840 120.070 -2.230 1
1 700 . 29 1 1 A 61 61 SER H H 121 7.790 7.669 0.121 1
1 701 . 29 1 1 A 61 61 SER HA H 121 4.300 4.405 -0.105 1
1 703 . 29 1 1 A 61 61 SER C C 121 175.650 173.827 1.823 1
1 704 . 29 1 1 A 61 61 SER CA C 121 60.090 59.168 0.922 1
1 705 . 29 1 1 A 61 61 SER CB C 121 63.570 63.383 0.187 1
1 706 . 29 1 1 A 61 61 SER N N 121 115.460 113.033 2.427 1
1 707 . 29 1 1 A 62 62 VAL H H 122 8.020 7.093 0.927 1
1 708 . 29 1 1 A 62 62 VAL HA H 122 4.020 4.199 -0.179 1
1 716 . 29 1 1 A 62 62 VAL C C 122 176.960 175.660 1.300 1
1 717 . 29 1 1 A 62 62 VAL CA C 122 63.600 61.250 2.350 1
1 718 . 29 1 1 A 62 62 VAL CB C 122 32.300 32.390 -0.090 1
1 721 . 29 1 1 A 62 62 VAL N N 122 121.600 123.066 -1.466 1
1 722 . 29 1 1 A 63 63 ARG H H 123 8.130 8.938 -0.808 1
1 723 . 29 1 1 A 63 63 ARG HA H 123 4.190 3.800 0.390 1
1 729 . 29 1 1 A 63 63 ARG C C 123 176.490 176.166 0.324 1
1 730 . 29 1 1 A 63 63 ARG CA C 123 57.070 57.073 -0.003 1
1 731 . 29 1 1 A 63 63 ARG CB C 123 30.780 27.101 3.679 1
1 734 . 29 1 1 A 63 63 ARG N N 123 122.770 127.249 -4.479 1
1 735 . 29 1 1 A 64 64 ASN H H 124 8.210 8.305 -0.095 1
1 736 . 29 1 1 A 64 64 ASN HA H 124 4.650 4.995 -0.345 1
1 741 . 29 1 1 A 64 64 ASN C C 124 175.310 175.776 -0.466 1
1 742 . 29 1 1 A 64 64 ASN CA C 124 53.500 52.882 0.618 1
1 743 . 29 1 1 A 64 64 ASN CB C 124 38.840 39.960 -1.120 1
1 744 . 29 1 1 A 64 64 ASN N N 124 119.350 115.123 4.227 1
1 746 . 29 1 1 A 65 65 ARG H H 125 8.100 7.719 0.381 1
1 747 . 29 1 1 A 65 65 ARG HA H 125 4.270 4.443 -0.173 1
1 752 . 29 1 1 A 65 65 ARG C C 125 176.310 175.211 1.099 1
1 753 . 29 1 1 A 65 65 ARG CA C 125 56.580 55.690 0.890 1
1 754 . 29 1 1 A 65 65 ARG CB C 125 30.810 30.477 0.333 1
1 757 . 29 1 1 A 65 65 ARG N N 125 122.230 118.986 3.244 1
1 758 . 29 1 1 A 66 66 ARG H H 126 8.260 7.548 0.712 1
1 759 . 29 1 1 A 66 66 ARG HA H 126 4.270 4.910 -0.640 1
1 764 . 29 1 1 A 66 66 ARG C C 126 176.210 174.816 1.394 1
1 765 . 29 1 1 A 66 66 ARG CA C 126 56.190 54.741 1.449 1
1 766 . 29 1 1 A 66 66 ARG CB C 126 30.810 31.469 -0.659 1
1 769 . 29 1 1 A 66 66 ARG N N 126 122.760 121.448 1.312 1
1 770 . 29 1 1 A 67 67 LYS H H 127 8.270 8.520 -0.250 1
1 771 . 29 1 1 A 67 67 LYS HA H 127 4.260 4.804 -0.544 1
1 776 . 29 1 1 A 67 67 LYS C C 127 176.450 174.428 2.022 1
1 777 . 29 1 1 A 67 67 LYS CA C 127 56.320 55.700 0.620 1
1 778 . 29 1 1 A 67 67 LYS CB C 127 33.180 34.376 -1.196 1
1 782 . 29 1 1 A 67 67 LYS N N 127 123.620 125.959 -2.339 1
1 783 . 29 1 1 A 68 68 ARG H H 128 8.340 8.957 -0.617 1
1 784 . 29 1 1 A 68 68 ARG HA H 128 4.270 5.114 -0.844 1
1 788 . 29 1 1 A 68 68 ARG C C 128 176.250 174.703 1.547 1
1 789 . 29 1 1 A 68 68 ARG CA C 128 56.130 54.575 1.555 1
1 790 . 29 1 1 A 68 68 ARG CB C 128 31.060 33.391 -2.331 1
1 793 . 29 1 1 A 68 68 ARG N N 128 123.750 123.527 0.223 1
1 794 . 29 1 1 A 69 69 LYS H H 129 8.450 8.929 -0.479 1
1 795 . 29 1 1 A 69 69 LYS HA H 129 4.250 4.489 -0.239 1
1 800 . 29 1 1 A 69 69 LYS C C 129 177.010 177.080 -0.070 1
1 801 . 29 1 1 A 69 69 LYS CA C 129 57.000 57.943 -0.943 1
1 802 . 29 1 1 A 69 69 LYS CB C 129 32.940 34.256 -1.316 1
1 806 . 29 1 1 A 69 69 LYS N N 129 124.580 121.435 3.145 1
1 807 . 29 1 1 A 70 70 GLY H H 130 8.500 7.747 0.753 1
1 808 . 29 1 1 A 70 70 GLY HA2 H 130 3.910 4.117 -0.207 1
1 809 . 29 1 1 A 70 70 GLY HA3 H 130 4.010 4.117 -0.107 1
1 810 . 29 1 1 A 70 70 GLY C C 130 173.360 173.486 -0.126 1
1 811 . 29 1 1 A 70 70 GLY CA C 130 45.370 44.453 0.917 1
1 812 . 29 1 1 A 70 70 GLY N N 130 112.470 106.047 6.423 1
1 6 . 30 1 1 A 2 2 ASN HA H 62 4.610 4.866 -0.256 1
1 10 . 30 1 1 A 2 2 ASN C C 62 174.760 175.498 -0.738 1
1 11 . 30 1 1 A 2 2 ASN CA C 62 53.100 52.169 0.931 1
1 12 . 30 1 1 A 2 2 ASN CB C 62 38.790 39.722 -0.932 1
1 14 . 30 1 1 A 3 3 ALA H H 63 8.300 7.937 0.363 1
1 15 . 30 1 1 A 3 3 ALA HA H 63 4.200 4.449 -0.249 1
1 19 . 30 1 1 A 3 3 ALA C C 63 178.180 177.305 0.875 1
1 20 . 30 1 1 A 3 3 ALA CA C 63 53.070 51.319 1.751 1
1 21 . 30 1 1 A 3 3 ALA CB C 63 18.960 20.052 -1.092 1
1 22 . 30 1 1 A 3 3 ALA N N 63 125.390 122.271 3.119 1
1 23 . 30 1 1 A 4 4 GLY H H 64 8.340 7.894 0.446 1
1 24 . 30 1 1 A 4 4 GLY HA2 H 64 3.800 4.096 -0.296 1
1 25 . 30 1 1 A 4 4 GLY HA3 H 64 3.860 4.102 -0.242 1
1 26 . 30 1 1 A 4 4 GLY C C 64 174.010 173.418 0.592 1
1 27 . 30 1 1 A 4 4 GLY CA C 64 45.350 45.779 -0.429 1
1 28 . 30 1 1 A 4 4 GLY N N 64 109.300 105.942 3.358 1
1 29 . 30 1 1 A 5 5 GLN H H 65 7.950 7.640 0.310 1
1 30 . 30 1 1 A 5 5 GLN HA H 65 4.330 4.703 -0.373 1
1 35 . 30 1 1 A 5 5 GLN C C 65 175.560 175.041 0.519 1
1 36 . 30 1 1 A 5 5 GLN CA C 65 55.400 55.083 0.317 1
1 37 . 30 1 1 A 5 5 GLN CB C 65 29.860 30.444 -0.584 1
1 39 . 30 1 1 A 5 5 GLN N N 65 119.540 119.240 0.300 1
1 41 . 30 1 1 A 6 6 LEU H H 66 8.740 8.469 0.271 1
1 42 . 30 1 1 A 6 6 LEU HA H 66 4.610 5.040 -0.430 1
1 52 . 30 1 1 A 6 6 LEU C C 66 175.750 175.450 0.300 1
1 53 . 30 1 1 A 6 6 LEU CA C 66 54.010 53.358 0.652 1
1 54 . 30 1 1 A 6 6 LEU CB C 66 43.490 44.567 -1.077 1
1 58 . 30 1 1 A 6 6 LEU N N 66 126.120 120.947 5.173 1
1 59 . 30 1 1 A 7 7 CYS H H 67 8.470 8.522 -0.052 1
1 60 . 30 1 1 A 7 7 CYS HA H 67 4.140 4.621 -0.481 1
1 63 . 30 1 1 A 7 7 CYS C C 67 175.320 176.315 -0.995 1
1 64 . 30 1 1 A 7 7 CYS CA C 67 60.780 59.804 0.976 1
1 65 . 30 1 1 A 7 7 CYS CB C 67 32.850 28.300 4.550 1
1 66 . 30 1 1 A 7 7 CYS N N 67 123.170 120.587 2.583 1
1 67 . 30 1 1 A 8 8 CYS H H 68 8.170 8.799 -0.629 1
1 68 . 30 1 1 A 8 8 CYS HA H 68 4.280 4.763 -0.483 1
1 72 . 30 1 1 A 8 8 CYS C C 68 172.410 174.280 -1.870 1
1 73 . 30 1 1 A 8 8 CYS CA C 68 58.920 58.428 0.492 1
1 74 . 30 1 1 A 8 8 CYS CB C 68 28.920 27.578 1.342 1
1 75 . 30 1 1 A 8 8 CYS N N 68 124.700 122.981 1.719 1
1 76 . 30 1 1 A 9 9 LEU H H 69 8.180 7.154 1.026 1
1 77 . 30 1 1 A 9 9 LEU HA H 69 4.580 4.821 -0.241 1
1 87 . 30 1 1 A 9 9 LEU C C 69 176.770 175.887 0.883 1
1 88 . 30 1 1 A 9 9 LEU CA C 69 54.760 53.592 1.168 1
1 89 . 30 1 1 A 9 9 LEU CB C 69 43.150 45.887 -2.737 1
1 93 . 30 1 1 A 9 9 LEU N N 69 122.650 122.231 0.419 1
1 94 . 30 1 1 A 10 10 ARG H H 70 8.880 8.314 0.566 1
1 95 . 30 1 1 A 10 10 ARG HA H 70 4.770 5.306 -0.536 1
1 102 . 30 1 1 A 10 10 ARG C C 70 174.900 174.180 0.720 1
1 103 . 30 1 1 A 10 10 ARG CA C 70 54.710 54.069 0.641 1
1 104 . 30 1 1 A 10 10 ARG CB C 70 33.390 32.075 1.315 1
1 107 . 30 1 1 A 10 10 ARG N N 70 117.650 121.148 -3.498 1
1 108 . 30 1 1 A 11 11 GLU H H 71 8.640 9.005 -0.365 1
1 109 . 30 1 1 A 11 11 GLU HA H 71 5.090 4.638 0.452 1
1 113 . 30 1 1 A 11 11 GLU C C 71 176.070 175.506 0.564 1
1 114 . 30 1 1 A 11 11 GLU CA C 71 54.270 55.365 -1.095 1
1 115 . 30 1 1 A 11 11 GLU CB C 71 32.460 31.124 1.336 1
1 117 . 30 1 1 A 11 11 GLU N N 71 123.910 125.606 -1.696 1
1 118 . 30 1 1 A 12 12 ASP H H 72 9.510 9.295 0.215 1
1 119 . 30 1 1 A 12 12 ASP HA H 72 4.270 4.370 -0.100 1
1 122 . 30 1 1 A 12 12 ASP C C 72 175.890 176.160 -0.270 1
1 123 . 30 1 1 A 12 12 ASP CA C 72 55.880 55.345 0.535 1
1 124 . 30 1 1 A 12 12 ASP CB C 72 39.910 39.511 0.399 1
1 125 . 30 1 1 A 12 12 ASP N N 72 129.440 128.249 1.191 1
1 126 . 30 1 1 A 13 13 GLY H H 73 8.970 8.333 0.637 1
1 127 . 30 1 1 A 13 13 GLY HA2 H 73 3.520 3.858 -0.338 1
1 128 . 30 1 1 A 13 13 GLY HA3 H 73 4.200 3.861 0.339 1
1 129 . 30 1 1 A 13 13 GLY C C 73 173.960 174.061 -0.101 1
1 130 . 30 1 1 A 13 13 GLY CA C 73 45.350 45.104 0.246 1
1 131 . 30 1 1 A 13 13 GLY N N 73 103.500 104.703 -1.203 1
1 132 . 30 1 1 A 14 14 GLU H H 74 7.660 8.210 -0.550 1
1 133 . 30 1 1 A 14 14 GLU HA H 74 4.640 4.420 0.220 1
1 138 . 30 1 1 A 14 14 GLU C C 74 176.170 176.340 -0.170 1
1 139 . 30 1 1 A 14 14 GLU CA C 74 54.460 55.925 -1.465 1
1 140 . 30 1 1 A 14 14 GLU CB C 74 32.050 30.280 1.770 1
1 142 . 30 1 1 A 14 14 GLU N N 74 121.330 120.914 0.416 1
1 143 . 30 1 1 A 15 15 ARG H H 75 9.000 8.840 0.160 1
1 144 . 30 1 1 A 15 15 ARG HA H 75 4.120 4.518 -0.398 1
1 150 . 30 1 1 A 15 15 ARG C C 75 175.230 175.882 -0.652 1
1 151 . 30 1 1 A 15 15 ARG CA C 75 56.640 55.091 1.549 1
1 152 . 30 1 1 A 15 15 ARG CB C 75 29.720 28.301 1.419 1
1 155 . 30 1 1 A 15 15 ARG N N 75 127.990 126.288 1.702 1
1 156 . 30 1 1 A 16 16 CYS H H 76 8.870 8.753 0.117 1
1 157 . 30 1 1 A 16 16 CYS HA H 76 4.170 4.312 -0.142 1
1 160 . 30 1 1 A 16 16 CYS CA C 76 61.840 61.386 0.454 1
1 161 . 30 1 1 A 16 16 CYS CB C 76 31.150 28.053 3.097 1
1 162 . 30 1 1 A 16 16 CYS N N 76 131.840 120.095 11.745 1
1 163 . 30 1 1 A 17 17 GLY H H 77 8.530 7.982 0.548 1
1 164 . 30 1 1 A 17 17 GLY HA2 H 77 3.680 3.969 -0.289 1
1 165 . 30 1 1 A 17 17 GLY HA3 H 77 4.340 3.990 0.350 1
1 166 . 30 1 1 A 17 17 GLY C C 77 174.620 174.252 0.368 1
1 167 . 30 1 1 A 17 17 GLY CA C 77 45.110 45.046 0.064 1
1 168 . 30 1 1 A 17 17 GLY N N 77 111.930 108.308 3.622 1
1 169 . 30 1 1 A 18 18 ARG H H 78 8.960 7.907 1.053 1
1 170 . 30 1 1 A 18 18 ARG HA H 78 4.290 4.391 -0.101 1
1 177 . 30 1 1 A 18 18 ARG C C 78 175.270 176.038 -0.768 1
1 178 . 30 1 1 A 18 18 ARG CA C 78 56.350 55.486 0.864 1
1 179 . 30 1 1 A 18 18 ARG CB C 78 31.310 31.362 -0.052 1
1 182 . 30 1 1 A 18 18 ARG N N 78 124.390 122.148 2.242 1
1 183 . 30 1 1 A 19 19 ALA H H 79 8.340 8.335 0.005 1
1 184 . 30 1 1 A 19 19 ALA HA H 79 4.170 4.594 -0.424 1
1 188 . 30 1 1 A 19 19 ALA C C 79 177.620 177.378 0.242 1
1 189 . 30 1 1 A 19 19 ALA CA C 79 52.710 52.314 0.396 1
1 190 . 30 1 1 A 19 19 ALA CB C 79 18.710 19.079 -0.369 1
1 191 . 30 1 1 A 19 19 ALA N N 79 123.880 127.050 -3.170 1
1 192 . 30 1 1 A 20 20 ALA H H 80 8.470 8.503 -0.033 1
1 193 . 30 1 1 A 20 20 ALA HA H 80 3.540 4.508 -0.968 1
1 197 . 30 1 1 A 20 20 ALA C C 80 177.560 177.567 -0.007 1
1 198 . 30 1 1 A 20 20 ALA CA C 80 52.840 51.994 0.846 1
1 199 . 30 1 1 A 20 20 ALA CB C 80 19.050 19.571 -0.521 1
1 200 . 30 1 1 A 20 20 ALA N N 80 124.580 123.249 1.331 1
1 201 . 30 1 1 A 21 21 GLY H H 81 8.090 8.437 -0.347 1
1 202 . 30 1 1 A 21 21 GLY HA2 H 81 3.800 4.086 -0.286 1
1 203 . 30 1 1 A 21 21 GLY HA3 H 81 4.430 4.117 0.313 1
1 204 . 30 1 1 A 21 21 GLY C C 81 173.170 174.067 -0.897 1
1 205 . 30 1 1 A 21 21 GLY CA C 81 44.390 44.580 -0.190 1
1 206 . 30 1 1 A 21 21 GLY N N 81 114.000 108.702 5.298 1
1 207 . 30 1 1 A 22 22 ASN H H 82 8.690 8.685 0.005 1
1 208 . 30 1 1 A 22 22 ASN HA H 82 4.650 5.003 -0.353 1
1 213 . 30 1 1 A 22 22 ASN C C 82 176.260 175.160 1.100 1
1 214 . 30 1 1 A 22 22 ASN CA C 82 53.580 52.444 1.136 1
1 215 . 30 1 1 A 22 22 ASN CB C 82 39.580 38.934 0.646 1
1 216 . 30 1 1 A 22 22 ASN N N 82 118.160 123.243 -5.083 1
1 218 . 30 1 1 A 23 23 ALA H H 83 8.720 7.513 1.207 1
1 219 . 30 1 1 A 23 23 ALA HA H 83 4.570 4.825 -0.255 1
1 223 . 30 1 1 A 23 23 ALA C C 83 175.910 176.628 -0.718 1
1 224 . 30 1 1 A 23 23 ALA CA C 83 52.340 50.437 1.903 1
1 225 . 30 1 1 A 23 23 ALA CB C 83 19.370 21.735 -2.365 1
1 226 . 30 1 1 A 23 23 ALA N N 83 125.180 122.616 2.564 1
1 227 . 30 1 1 A 24 24 SER H H 84 7.970 8.783 -0.813 1
1 228 . 30 1 1 A 24 24 SER HA H 84 5.310 5.332 -0.022 1
1 230 . 30 1 1 A 24 24 SER C C 84 174.620 173.848 0.772 1
1 231 . 30 1 1 A 24 24 SER CA C 84 56.550 55.804 0.746 1
1 232 . 30 1 1 A 24 24 SER CB C 84 66.420 65.731 0.689 1
1 233 . 30 1 1 A 24 24 SER N N 84 112.840 114.374 -1.534 1
1 234 . 30 1 1 A 25 25 PHE H H 85 9.580 8.943 0.637 1
1 235 . 30 1 1 A 25 25 PHE HA H 85 4.320 4.703 -0.383 1
1 241 . 30 1 1 A 25 25 PHE C C 85 173.430 175.066 -1.636 1
1 242 . 30 1 1 A 25 25 PHE CA C 85 57.780 58.946 -1.166 1
1 243 . 30 1 1 A 25 25 PHE CB C 85 38.780 39.434 -0.654 1
1 247 . 30 1 1 A 25 25 PHE N N 85 125.520 125.138 0.382 1
1 248 . 30 1 1 A 26 26 SER H H 86 6.780 8.230 -1.450 1
1 249 . 30 1 1 A 26 26 SER HA H 86 4.430 4.896 -0.466 1
1 252 . 30 1 1 A 26 26 SER C C 86 174.200 174.819 -0.619 1
1 253 . 30 1 1 A 26 26 SER CA C 86 56.610 55.938 0.672 1
1 254 . 30 1 1 A 26 26 SER CB C 86 66.010 66.258 -0.248 1
1 255 . 30 1 1 A 26 26 SER N N 86 118.860 118.818 0.042 1
1 256 . 30 1 1 A 27 27 LYS H H 87 8.710 8.651 0.059 1
1 257 . 30 1 1 A 27 27 LYS HA H 87 3.850 3.804 0.046 1
1 263 . 30 1 1 A 27 27 LYS C C 87 178.490 178.816 -0.326 1
1 264 . 30 1 1 A 27 27 LYS CA C 87 59.390 59.366 0.024 1
1 265 . 30 1 1 A 27 27 LYS CB C 87 31.970 32.706 -0.736 1
1 269 . 30 1 1 A 27 27 LYS N N 87 121.790 119.302 2.488 1
1 270 . 30 1 1 A 28 28 ARG H H 88 8.010 7.743 0.267 1
1 271 . 30 1 1 A 28 28 ARG HA H 88 3.990 4.010 -0.020 1
1 277 . 30 1 1 A 28 28 ARG C C 88 178.890 178.534 0.356 1
1 278 . 30 1 1 A 28 28 ARG CA C 88 59.010 58.705 0.305 1
1 279 . 30 1 1 A 28 28 ARG CB C 88 30.120 30.015 0.105 1
1 282 . 30 1 1 A 28 28 ARG N N 88 119.520 119.745 -0.225 1
1 283 . 30 1 1 A 29 29 ILE H H 89 7.350 7.451 -0.101 1
1 284 . 30 1 1 A 29 29 ILE HA H 89 3.680 3.653 0.027 1
1 294 . 30 1 1 A 29 29 ILE C C 89 177.620 177.788 -0.168 1
1 295 . 30 1 1 A 29 29 ILE CA C 89 63.170 65.138 -1.968 1
1 296 . 30 1 1 A 29 29 ILE CB C 89 36.900 36.444 0.456 1
1 300 . 30 1 1 A 29 29 ILE N N 89 121.980 120.190 1.790 1
1 301 . 30 1 1 A 30 30 GLN H H 90 7.990 7.559 0.431 1
1 302 . 30 1 1 A 30 30 GLN HA H 90 3.630 3.919 -0.289 1
1 308 . 30 1 1 A 30 30 GLN C C 90 178.320 178.558 -0.238 1
1 309 . 30 1 1 A 30 30 GLN CA C 90 59.200 59.242 -0.042 1
1 310 . 30 1 1 A 30 30 GLN CB C 90 28.700 28.080 0.620 1
1 312 . 30 1 1 A 30 30 GLN N N 90 121.020 120.770 0.250 1
1 314 . 30 1 1 A 31 31 LYS H H 91 7.990 8.205 -0.215 1
1 315 . 30 1 1 A 31 31 LYS HA H 91 4.090 4.060 0.030 1
1 321 . 30 1 1 A 31 31 LYS C C 91 178.650 178.412 0.238 1
1 322 . 30 1 1 A 31 31 LYS CA C 91 58.720 59.187 -0.467 1
1 323 . 30 1 1 A 31 31 LYS CB C 91 32.220 32.191 0.029 1
1 327 . 30 1 1 A 31 31 LYS N N 91 119.520 119.702 -0.182 1
1 328 . 30 1 1 A 32 32 SER H H 92 7.770 7.784 -0.014 1
1 329 . 30 1 1 A 32 32 SER HA H 92 4.320 4.210 0.110 1
1 332 . 30 1 1 A 32 32 SER C C 92 176.110 177.604 -1.494 1
1 333 . 30 1 1 A 32 32 SER CA C 92 61.260 61.743 -0.483 1
1 334 . 30 1 1 A 32 32 SER CB C 92 63.610 62.699 0.911 1
1 335 . 30 1 1 A 32 32 SER N N 92 116.310 114.787 1.523 1
1 336 . 30 1 1 A 33 33 ILE H H 93 7.960 7.950 0.010 1
1 337 . 30 1 1 A 33 33 ILE HA H 93 3.920 3.566 0.354 1
1 347 . 30 1 1 A 33 33 ILE C C 93 177.480 178.042 -0.562 1
1 348 . 30 1 1 A 33 33 ILE CA C 93 63.610 65.191 -1.581 1
1 349 . 30 1 1 A 33 33 ILE CB C 93 38.330 37.374 0.956 1
1 353 . 30 1 1 A 33 33 ILE N N 93 119.950 122.182 -2.232 1
1 354 . 30 1 1 A 34 34 SER H H 94 7.970 8.210 -0.240 1
1 355 . 30 1 1 A 34 34 SER HA H 94 4.390 4.020 0.370 1
1 357 . 30 1 1 A 34 34 SER C C 94 176.490 177.132 -0.642 1
1 358 . 30 1 1 A 34 34 SER CA C 94 60.560 61.639 -1.079 1
1 359 . 30 1 1 A 34 34 SER CB C 94 63.130 62.693 0.437 1
1 360 . 30 1 1 A 34 34 SER N N 94 117.230 115.634 1.596 1
1 361 . 30 1 1 A 35 35 GLN H H 95 8.220 8.002 0.218 1
1 362 . 30 1 1 A 35 35 GLN HA H 95 4.260 4.060 0.200 1
1 369 . 30 1 1 A 35 35 GLN C C 95 177.050 177.027 0.023 1
1 370 . 30 1 1 A 35 35 GLN CA C 95 57.360 58.153 -0.793 1
1 371 . 30 1 1 A 35 35 GLN CB C 95 28.900 28.738 0.162 1
1 373 . 30 1 1 A 35 35 GLN N N 95 121.530 121.696 -0.166 1
1 375 . 30 1 1 A 36 36 LYS H H 96 7.870 7.709 0.161 1
1 376 . 30 1 1 A 36 36 LYS HA H 96 4.280 4.366 -0.086 1
1 383 . 30 1 1 A 36 36 LYS C C 96 176.160 176.252 -0.092 1
1 384 . 30 1 1 A 36 36 LYS CA C 96 56.570 56.153 0.417 1
1 385 . 30 1 1 A 36 36 LYS CB C 96 33.600 33.601 -0.001 1
1 389 . 30 1 1 A 36 36 LYS N N 96 118.550 117.680 0.870 1
1 390 . 30 1 1 A 37 37 LYS H H 97 8.110 8.783 -0.673 1
1 391 . 30 1 1 A 37 37 LYS HA H 97 4.110 3.807 0.303 1
1 396 . 30 1 1 A 37 37 LYS C C 97 176.210 175.495 0.715 1
1 397 . 30 1 1 A 37 37 LYS CA C 97 57.230 57.173 0.057 1
1 398 . 30 1 1 A 37 37 LYS CB C 97 30.580 30.683 -0.103 1
1 402 . 30 1 1 A 37 37 LYS N N 97 117.680 118.381 -0.701 1
1 403 . 30 1 1 A 38 38 VAL H H 98 7.430 7.839 -0.409 1
1 404 . 30 1 1 A 38 38 VAL HA H 98 4.350 4.872 -0.522 1
1 412 . 30 1 1 A 38 38 VAL C C 98 175.830 175.460 0.370 1
1 413 . 30 1 1 A 38 38 VAL CA C 98 60.580 58.686 1.894 1
1 414 . 30 1 1 A 38 38 VAL CB C 98 33.410 34.877 -1.467 1
1 417 . 30 1 1 A 38 38 VAL N N 98 115.860 115.247 0.613 1
1 418 . 30 1 1 A 39 39 LYS H H 99 8.960 8.659 0.301 1
1 419 . 30 1 1 A 39 39 LYS HA H 99 4.430 4.470 -0.040 1
1 425 . 30 1 1 A 39 39 LYS C C 99 175.700 174.717 0.983 1
1 426 . 30 1 1 A 39 39 LYS CA C 99 55.420 55.991 -0.571 1
1 427 . 30 1 1 A 39 39 LYS CB C 99 30.580 31.334 -0.754 1
1 431 . 30 1 1 A 39 39 LYS N N 99 127.710 119.368 8.342 1
1 432 . 30 1 1 A 40 40 ILE H H 100 7.660 7.321 0.339 1
1 433 . 30 1 1 A 40 40 ILE HA H 100 5.020 4.979 0.041 1
1 443 . 30 1 1 A 40 40 ILE C C 100 174.520 175.158 -0.638 1
1 444 . 30 1 1 A 40 40 ILE CA C 100 59.370 60.318 -0.948 1
1 445 . 30 1 1 A 40 40 ILE CB C 100 40.650 39.466 1.184 1
1 449 . 30 1 1 A 40 40 ILE N N 100 123.140 121.975 1.165 1
1 450 . 30 1 1 A 41 41 GLU H H 101 8.490 8.908 -0.418 1
1 451 . 30 1 1 A 41 41 GLU HA H 101 4.620 4.979 -0.359 1
1 456 . 30 1 1 A 41 41 GLU C C 101 173.590 174.871 -1.281 1
1 457 . 30 1 1 A 41 41 GLU CA C 101 53.740 54.575 -0.835 1
1 458 . 30 1 1 A 41 41 GLU CB C 101 34.580 33.582 0.998 1
1 460 . 30 1 1 A 41 41 GLU N N 101 123.460 126.146 -2.686 1
1 461 . 30 1 1 A 42 42 LEU H H 102 8.490 8.323 0.167 1
1 462 . 30 1 1 A 42 42 LEU HA H 102 3.790 4.388 -0.598 1
1 472 . 30 1 1 A 42 42 LEU C C 102 176.440 175.732 0.708 1
1 473 . 30 1 1 A 42 42 LEU CA C 102 55.190 54.568 0.622 1
1 474 . 30 1 1 A 42 42 LEU CB C 102 43.100 43.231 -0.131 1
1 478 . 30 1 1 A 42 42 LEU N N 102 123.470 123.427 0.043 1
1 479 . 30 1 1 A 43 43 ASP H H 103 8.770 8.499 0.271 1
1 480 . 30 1 1 A 43 43 ASP HA H 103 4.520 4.714 -0.194 1
1 483 . 30 1 1 A 43 43 ASP C C 103 177.600 176.390 1.210 1
1 484 . 30 1 1 A 43 43 ASP CA C 103 53.740 53.912 -0.172 1
1 485 . 30 1 1 A 43 43 ASP CB C 103 41.880 42.391 -0.511 1
1 486 . 30 1 1 A 43 43 ASP N N 103 127.210 125.637 1.573 1
1 487 . 30 1 1 A 44 44 LYS H H 104 8.910 9.038 -0.128 1
1 488 . 30 1 1 A 44 44 LYS HA H 104 3.920 4.162 -0.242 1
1 495 . 30 1 1 A 44 44 LYS C C 104 177.340 178.848 -1.508 1
1 496 . 30 1 1 A 44 44 LYS CA C 104 58.930 58.507 0.423 1
1 497 . 30 1 1 A 44 44 LYS CB C 104 32.000 32.184 -0.184 1
1 501 . 30 1 1 A 44 44 LYS N N 104 129.080 127.274 1.806 1
1 502 . 30 1 1 A 45 45 SER H H 105 8.740 7.816 0.924 1
1 503 . 30 1 1 A 45 45 SER HA H 105 4.370 4.326 0.044 1
1 506 . 30 1 1 A 45 45 SER C C 105 175.040 175.032 0.008 1
1 507 . 30 1 1 A 45 45 SER CA C 105 59.150 60.713 -1.563 1
1 508 . 30 1 1 A 45 45 SER CB C 105 63.830 62.858 0.972 1
1 509 . 30 1 1 A 45 45 SER N N 105 115.270 112.482 2.788 1
1 510 . 30 1 1 A 46 46 ALA H H 106 7.430 7.349 0.081 1
1 511 . 30 1 1 A 46 46 ALA HA H 106 4.150 4.032 0.118 1
1 515 . 30 1 1 A 46 46 ALA CA C 106 53.300 53.136 0.164 1
1 516 . 30 1 1 A 46 46 ALA CB C 106 19.190 19.012 0.178 1
1 517 . 30 1 1 A 46 46 ALA N N 106 125.120 125.444 -0.324 1
1 518 . 30 1 1 A 47 47 ARG HA H 107 4.280 4.519 -0.239 1
1 526 . 30 1 1 A 48 48 HIS HA H 108 4.650 4.824 -0.174 1
1 531 . 30 1 1 A 48 48 HIS C C 108 173.160 174.320 -1.160 1
1 532 . 30 1 1 A 48 48 HIS CA C 108 54.990 54.121 0.869 1
1 533 . 30 1 1 A 48 48 HIS CB C 108 33.400 32.475 0.925 1
1 538 . 30 1 1 A 49 49 LEU H H 109 8.030 8.823 -0.793 1
1 539 . 30 1 1 A 49 49 LEU HA H 109 5.040 4.676 0.364 1
1 549 . 30 1 1 A 49 49 LEU CA C 109 54.480 53.847 0.633 1
1 550 . 30 1 1 A 49 49 LEU CB C 109 43.010 42.827 0.183 1
1 554 . 30 1 1 A 49 49 LEU N N 109 120.130 119.995 0.135 1
1 555 . 30 1 1 A 50 50 TYR HA H 110 5.020 5.131 -0.111 1
1 560 . 30 1 1 A 50 50 TYR C C 110 176.960 175.464 1.496 1
1 561 . 30 1 1 A 50 50 TYR CA C 110 60.340 56.893 3.447 1
1 562 . 30 1 1 A 50 50 TYR CB C 110 39.210 42.681 -3.471 1
1 565 . 30 1 1 A 51 51 ILE H H 111 8.510 9.294 -0.784 1
1 566 . 30 1 1 A 51 51 ILE HA H 111 5.960 5.044 0.916 1
1 576 . 30 1 1 A 51 51 ILE C C 111 177.900 175.551 2.349 1
1 577 . 30 1 1 A 51 51 ILE CA C 111 58.100 58.961 -0.861 1
1 578 . 30 1 1 A 51 51 ILE CB C 111 41.370 41.493 -0.123 1
1 582 . 30 1 1 A 51 51 ILE N N 111 115.050 117.929 -2.879 1
1 583 . 30 1 1 A 52 52 CYS H H 112 9.830 8.868 0.962 1
1 584 . 30 1 1 A 52 52 CYS HA H 112 5.000 4.817 0.183 1
1 587 . 30 1 1 A 52 52 CYS C C 112 175.420 175.812 -0.392 1
1 588 . 30 1 1 A 52 52 CYS CA C 112 57.770 57.810 -0.040 1
1 589 . 30 1 1 A 52 52 CYS CB C 112 33.120 29.815 3.305 1
1 590 . 30 1 1 A 52 52 CYS N N 112 125.820 121.700 4.120 1
1 591 . 30 1 1 A 53 53 ASP H H 113 9.000 8.972 0.028 1
1 592 . 30 1 1 A 53 53 ASP HA H 113 4.510 4.350 0.160 1
1 594 . 30 1 1 A 53 53 ASP C C 113 178.140 177.607 0.533 1
1 595 . 30 1 1 A 53 53 ASP CA C 113 57.330 57.247 0.083 1
1 596 . 30 1 1 A 53 53 ASP CB C 113 39.730 40.679 -0.949 1
1 597 . 30 1 1 A 53 53 ASP N N 113 121.960 121.742 0.218 1
1 598 . 30 1 1 A 54 54 TYR H H 114 8.220 8.195 0.025 1
1 599 . 30 1 1 A 54 54 TYR HA H 114 4.100 4.119 -0.019 1
1 604 . 30 1 1 A 54 54 TYR C C 114 178.410 177.141 1.269 1
1 605 . 30 1 1 A 54 54 TYR CA C 114 61.970 61.875 0.095 1
1 606 . 30 1 1 A 54 54 TYR CB C 114 37.150 38.782 -1.632 1
1 609 . 30 1 1 A 54 54 TYR N N 114 123.510 121.294 2.216 1
1 610 . 30 1 1 A 55 55 HIS H H 115 10.090 7.775 2.315 1
1 611 . 30 1 1 A 55 55 HIS HA H 115 4.040 4.186 -0.146 1
1 616 . 30 1 1 A 55 55 HIS C C 115 177.240 177.296 -0.056 1
1 617 . 30 1 1 A 55 55 HIS CA C 115 63.870 59.857 4.013 1
1 618 . 30 1 1 A 55 55 HIS CB C 115 29.600 29.754 -0.154 1
1 621 . 30 1 1 A 55 55 HIS N N 115 124.830 117.006 7.824 1
1 624 . 30 1 1 A 56 56 LYS H H 116 8.830 8.091 0.739 1
1 625 . 30 1 1 A 56 56 LYS HA H 116 3.720 3.916 -0.196 1
1 633 . 30 1 1 A 56 56 LYS C C 116 178.140 178.637 -0.497 1
1 634 . 30 1 1 A 56 56 LYS CA C 116 60.590 60.102 0.488 1
1 635 . 30 1 1 A 56 56 LYS CB C 116 32.230 32.413 -0.183 1
1 639 . 30 1 1 A 56 56 LYS N N 116 123.340 120.504 2.836 1
1 640 . 30 1 1 A 57 57 ASN H H 117 8.140 8.128 0.012 1
1 641 . 30 1 1 A 57 57 ASN HA H 117 4.340 4.491 -0.151 1
1 646 . 30 1 1 A 57 57 ASN C C 117 177.570 177.487 0.083 1
1 647 . 30 1 1 A 57 57 ASN CA C 117 55.890 56.223 -0.333 1
1 648 . 30 1 1 A 57 57 ASN CB C 117 38.070 38.632 -0.562 1
1 649 . 30 1 1 A 57 57 ASN N N 117 116.920 118.127 -1.207 1
1 651 . 30 1 1 A 58 58 LEU H H 118 7.890 7.657 0.233 1
1 652 . 30 1 1 A 58 58 LEU HA H 118 3.930 3.966 -0.036 1
1 662 . 30 1 1 A 58 58 LEU C C 118 179.400 178.742 0.658 1
1 663 . 30 1 1 A 58 58 LEU CA C 118 58.420 57.843 0.577 1
1 664 . 30 1 1 A 58 58 LEU CB C 118 43.170 41.508 1.662 1
1 668 . 30 1 1 A 58 58 LEU N N 118 123.590 120.075 3.515 1
1 669 . 30 1 1 A 59 59 ILE H H 119 8.360 7.814 0.546 1
1 670 . 30 1 1 A 59 59 ILE HA H 119 3.470 3.925 -0.455 1
1 680 . 30 1 1 A 59 59 ILE C C 119 177.290 178.112 -0.822 1
1 681 . 30 1 1 A 59 59 ILE CA C 119 65.260 64.192 1.068 1
1 682 . 30 1 1 A 59 59 ILE CB C 119 38.330 38.071 0.259 1
1 686 . 30 1 1 A 59 59 ILE N N 119 118.630 118.533 0.097 1
1 687 . 30 1 1 A 60 60 GLN H H 120 7.830 8.248 -0.418 1
1 688 . 30 1 1 A 60 60 GLN HA H 120 4.130 4.045 0.085 1
1 694 . 30 1 1 A 60 60 GLN C C 120 177.240 177.391 -0.151 1
1 695 . 30 1 1 A 60 60 GLN CA C 120 57.750 59.225 -1.475 1
1 696 . 30 1 1 A 60 60 GLN CB C 120 28.910 28.232 0.678 1
1 698 . 30 1 1 A 60 60 GLN N N 120 117.840 120.733 -2.893 1
1 700 . 30 1 1 A 61 61 SER H H 121 7.790 7.736 0.054 1
1 701 . 30 1 1 A 61 61 SER HA H 121 4.300 4.787 -0.487 1
1 703 . 30 1 1 A 61 61 SER C C 121 175.650 174.579 1.071 1
1 704 . 30 1 1 A 61 61 SER CA C 121 60.090 57.453 2.637 1
1 705 . 30 1 1 A 61 61 SER CB C 121 63.570 61.467 2.103 1
1 706 . 30 1 1 A 61 61 SER N N 121 115.460 112.886 2.574 1
1 707 . 30 1 1 A 62 62 VAL H H 122 8.020 7.862 0.158 1
1 708 . 30 1 1 A 62 62 VAL HA H 122 4.020 4.216 -0.196 1
1 716 . 30 1 1 A 62 62 VAL C C 122 176.960 177.001 -0.041 1
1 717 . 30 1 1 A 62 62 VAL CA C 122 63.600 63.490 0.110 1
1 718 . 30 1 1 A 62 62 VAL CB C 122 32.300 34.165 -1.865 1
1 721 . 30 1 1 A 62 62 VAL N N 122 121.600 120.437 1.163 1
1 722 . 30 1 1 A 63 63 ARG H H 123 8.130 8.030 0.100 1
1 723 . 30 1 1 A 63 63 ARG HA H 123 4.190 4.431 -0.241 1
1 729 . 30 1 1 A 63 63 ARG C C 123 176.490 174.844 1.646 1
1 730 . 30 1 1 A 63 63 ARG CA C 123 57.070 55.432 1.638 1
1 731 . 30 1 1 A 63 63 ARG CB C 123 30.780 30.829 -0.049 1
1 734 . 30 1 1 A 63 63 ARG N N 123 122.770 117.978 4.792 1
1 735 . 30 1 1 A 64 64 ASN H H 124 8.210 7.678 0.532 1
1 736 . 30 1 1 A 64 64 ASN HA H 124 4.650 5.103 -0.453 1
1 741 . 30 1 1 A 64 64 ASN C C 124 175.310 173.633 1.677 1
1 742 . 30 1 1 A 64 64 ASN CA C 124 53.500 53.283 0.217 1
1 743 . 30 1 1 A 64 64 ASN CB C 124 38.840 41.032 -2.192 1
1 744 . 30 1 1 A 64 64 ASN N N 124 119.350 118.900 0.450 1
1 746 . 30 1 1 A 65 65 ARG H H 125 8.100 8.848 -0.748 1
1 747 . 30 1 1 A 65 65 ARG HA H 125 4.270 4.978 -0.708 1
1 752 . 30 1 1 A 65 65 ARG C C 125 176.310 175.189 1.121 1
1 753 . 30 1 1 A 65 65 ARG CA C 125 56.580 54.056 2.524 1
1 754 . 30 1 1 A 65 65 ARG CB C 125 30.810 34.824 -4.014 1
1 757 . 30 1 1 A 65 65 ARG N N 125 122.230 125.003 -2.773 1
1 758 . 30 1 1 A 66 66 ARG H H 126 8.260 8.608 -0.348 1
1 759 . 30 1 1 A 66 66 ARG HA H 126 4.270 4.927 -0.657 1
1 764 . 30 1 1 A 66 66 ARG C C 126 176.210 175.736 0.474 1
1 765 . 30 1 1 A 66 66 ARG CA C 126 56.190 54.257 1.933 1
1 766 . 30 1 1 A 66 66 ARG CB C 126 30.810 33.816 -3.006 1
1 769 . 30 1 1 A 66 66 ARG N N 126 122.760 119.301 3.459 1
1 770 . 30 1 1 A 67 67 LYS H H 127 8.270 9.194 -0.924 1
1 771 . 30 1 1 A 67 67 LYS HA H 127 4.260 4.306 -0.046 1
1 776 . 30 1 1 A 67 67 LYS C C 127 176.450 175.756 0.694 1
1 777 . 30 1 1 A 67 67 LYS CA C 127 56.320 58.458 -2.138 1
1 778 . 30 1 1 A 67 67 LYS CB C 127 33.180 31.408 1.772 1
1 782 . 30 1 1 A 67 67 LYS N N 127 123.620 117.867 5.753 1
1 783 . 30 1 1 A 68 68 ARG H H 128 8.340 8.876 -0.536 1
1 784 . 30 1 1 A 68 68 ARG HA H 128 4.270 4.076 0.194 1
1 788 . 30 1 1 A 68 68 ARG C C 128 176.250 176.375 -0.125 1
1 789 . 30 1 1 A 68 68 ARG CA C 128 56.130 58.271 -2.141 1
1 790 . 30 1 1 A 68 68 ARG CB C 128 31.060 29.138 1.922 1
1 793 . 30 1 1 A 68 68 ARG N N 128 123.750 118.273 5.477 1
1 794 . 30 1 1 A 69 69 LYS H H 129 8.450 8.699 -0.249 1
1 795 . 30 1 1 A 69 69 LYS HA H 129 4.250 4.437 -0.187 1
1 800 . 30 1 1 A 69 69 LYS C C 129 177.010 176.451 0.559 1
1 801 . 30 1 1 A 69 69 LYS CA C 129 57.000 57.549 -0.549 1
1 802 . 30 1 1 A 69 69 LYS CB C 129 32.940 33.462 -0.522 1
1 806 . 30 1 1 A 69 69 LYS N N 129 124.580 121.038 3.542 1
1 807 . 30 1 1 A 70 70 GLY H H 130 8.500 7.441 1.059 1
1 808 . 30 1 1 A 70 70 GLY HA2 H 130 3.910 4.101 -0.191 1
1 809 . 30 1 1 A 70 70 GLY HA3 H 130 4.010 4.101 -0.091 1
1 810 . 30 1 1 A 70 70 GLY C C 130 173.360 173.651 -0.291 1
1 811 . 30 1 1 A 70 70 GLY CA C 130 45.370 45.514 -0.144 1
1 812 . 30 1 1 A 70 70 GLY N N 130 112.470 105.426 7.044 1
1 6 . 31 1 1 A 2 2 ASN HA H 62 4.610 4.692 -0.082 1
1 10 . 31 1 1 A 2 2 ASN C C 62 174.760 175.603 -0.843 1
1 11 . 31 1 1 A 2 2 ASN CA C 62 53.100 51.944 1.156 1
1 12 . 31 1 1 A 2 2 ASN CB C 62 38.790 39.263 -0.473 1
1 14 . 31 1 1 A 3 3 ALA H H 63 8.300 7.845 0.455 1
1 15 . 31 1 1 A 3 3 ALA HA H 63 4.200 4.381 -0.181 1
1 19 . 31 1 1 A 3 3 ALA C C 63 178.180 177.346 0.834 1
1 20 . 31 1 1 A 3 3 ALA CA C 63 53.070 51.407 1.663 1
1 21 . 31 1 1 A 3 3 ALA CB C 63 18.960 19.986 -1.026 1
1 22 . 31 1 1 A 3 3 ALA N N 63 125.390 123.033 2.357 1
1 23 . 31 1 1 A 4 4 GLY H H 64 8.340 8.014 0.326 1
1 24 . 31 1 1 A 4 4 GLY HA2 H 64 3.800 3.986 -0.186 1
1 25 . 31 1 1 A 4 4 GLY HA3 H 64 3.860 3.992 -0.132 1
1 26 . 31 1 1 A 4 4 GLY C C 64 174.010 173.364 0.646 1
1 27 . 31 1 1 A 4 4 GLY CA C 64 45.350 45.642 -0.292 1
1 28 . 31 1 1 A 4 4 GLY N N 64 109.300 106.176 3.124 1
1 29 . 31 1 1 A 5 5 GLN H H 65 7.950 7.558 0.392 1
1 30 . 31 1 1 A 5 5 GLN HA H 65 4.330 4.797 -0.467 1
1 35 . 31 1 1 A 5 5 GLN C C 65 175.560 174.586 0.974 1
1 36 . 31 1 1 A 5 5 GLN CA C 65 55.400 53.994 1.406 1
1 37 . 31 1 1 A 5 5 GLN CB C 65 29.860 31.892 -2.032 1
1 39 . 31 1 1 A 5 5 GLN N N 65 119.540 117.862 1.678 1
1 41 . 31 1 1 A 6 6 LEU H H 66 8.740 8.967 -0.227 1
1 42 . 31 1 1 A 6 6 LEU HA H 66 4.610 5.141 -0.531 1
1 52 . 31 1 1 A 6 6 LEU C C 66 175.750 175.819 -0.069 1
1 53 . 31 1 1 A 6 6 LEU CA C 66 54.010 53.445 0.565 1
1 54 . 31 1 1 A 6 6 LEU CB C 66 43.490 45.098 -1.608 1
1 58 . 31 1 1 A 6 6 LEU N N 66 126.120 121.326 4.794 1
1 59 . 31 1 1 A 7 7 CYS H H 67 8.470 8.601 -0.131 1
1 60 . 31 1 1 A 7 7 CYS HA H 67 4.140 4.413 -0.273 1
1 63 . 31 1 1 A 7 7 CYS C C 67 175.320 176.451 -1.131 1
1 64 . 31 1 1 A 7 7 CYS CA C 67 60.780 59.972 0.808 1
1 65 . 31 1 1 A 7 7 CYS CB C 67 32.850 28.510 4.340 1
1 66 . 31 1 1 A 7 7 CYS N N 67 123.170 123.412 -0.242 1
1 67 . 31 1 1 A 8 8 CYS H H 68 8.170 8.782 -0.612 1
1 68 . 31 1 1 A 8 8 CYS HA H 68 4.280 4.659 -0.379 1
1 72 . 31 1 1 A 8 8 CYS C C 68 172.410 174.205 -1.795 1
1 73 . 31 1 1 A 8 8 CYS CA C 68 58.920 58.624 0.296 1
1 74 . 31 1 1 A 8 8 CYS CB C 68 28.920 27.527 1.393 1
1 75 . 31 1 1 A 8 8 CYS N N 68 124.700 123.480 1.220 1
1 76 . 31 1 1 A 9 9 LEU H H 69 8.180 7.612 0.568 1
1 77 . 31 1 1 A 9 9 LEU HA H 69 4.580 4.792 -0.212 1
1 87 . 31 1 1 A 9 9 LEU C C 69 176.770 176.111 0.659 1
1 88 . 31 1 1 A 9 9 LEU CA C 69 54.760 53.244 1.516 1
1 89 . 31 1 1 A 9 9 LEU CB C 69 43.150 45.442 -2.292 1
1 93 . 31 1 1 A 9 9 LEU N N 69 122.650 122.405 0.245 1
1 94 . 31 1 1 A 10 10 ARG H H 70 8.880 8.510 0.370 1
1 95 . 31 1 1 A 10 10 ARG HA H 70 4.770 5.408 -0.638 1
1 102 . 31 1 1 A 10 10 ARG C C 70 174.900 174.186 0.714 1
1 103 . 31 1 1 A 10 10 ARG CA C 70 54.710 54.161 0.549 1
1 104 . 31 1 1 A 10 10 ARG CB C 70 33.390 31.974 1.416 1
1 107 . 31 1 1 A 10 10 ARG N N 70 117.650 121.036 -3.386 1
1 108 . 31 1 1 A 11 11 GLU H H 71 8.640 9.028 -0.388 1
1 109 . 31 1 1 A 11 11 GLU HA H 71 5.090 4.651 0.439 1
1 113 . 31 1 1 A 11 11 GLU C C 71 176.070 175.731 0.339 1
1 114 . 31 1 1 A 11 11 GLU CA C 71 54.270 55.414 -1.144 1
1 115 . 31 1 1 A 11 11 GLU CB C 71 32.460 31.052 1.408 1
1 117 . 31 1 1 A 11 11 GLU N N 71 123.910 125.696 -1.786 1
1 118 . 31 1 1 A 12 12 ASP H H 72 9.510 9.159 0.351 1
1 119 . 31 1 1 A 12 12 ASP HA H 72 4.270 4.417 -0.147 1
1 122 . 31 1 1 A 12 12 ASP C C 72 175.890 176.229 -0.339 1
1 123 . 31 1 1 A 12 12 ASP CA C 72 55.880 55.359 0.521 1
1 124 . 31 1 1 A 12 12 ASP CB C 72 39.910 39.305 0.605 1
1 125 . 31 1 1 A 12 12 ASP N N 72 129.440 128.255 1.185 1
1 126 . 31 1 1 A 13 13 GLY H H 73 8.970 8.348 0.622 1
1 127 . 31 1 1 A 13 13 GLY HA2 H 73 3.520 3.838 -0.318 1
1 128 . 31 1 1 A 13 13 GLY HA3 H 73 4.200 3.842 0.358 1
1 129 . 31 1 1 A 13 13 GLY C C 73 173.960 173.526 0.434 1
1 130 . 31 1 1 A 13 13 GLY CA C 73 45.350 45.332 0.018 1
1 131 . 31 1 1 A 13 13 GLY N N 73 103.500 104.716 -1.216 1
1 132 . 31 1 1 A 14 14 GLU H H 74 7.660 7.570 0.090 1
1 133 . 31 1 1 A 14 14 GLU HA H 74 4.640 4.473 0.167 1
1 138 . 31 1 1 A 14 14 GLU C C 74 176.170 175.800 0.370 1
1 139 . 31 1 1 A 14 14 GLU CA C 74 54.460 55.783 -1.323 1
1 140 . 31 1 1 A 14 14 GLU CB C 74 32.050 30.688 1.362 1
1 142 . 31 1 1 A 14 14 GLU N N 74 121.330 120.407 0.923 1
1 143 . 31 1 1 A 15 15 ARG H H 75 9.000 8.651 0.349 1
1 144 . 31 1 1 A 15 15 ARG HA H 75 4.120 4.357 -0.237 1
1 150 . 31 1 1 A 15 15 ARG C C 75 175.230 175.946 -0.716 1
1 151 . 31 1 1 A 15 15 ARG CA C 75 56.640 55.047 1.593 1
1 152 . 31 1 1 A 15 15 ARG CB C 75 29.720 28.740 0.980 1
1 155 . 31 1 1 A 15 15 ARG N N 75 127.990 124.071 3.919 1
1 156 . 31 1 1 A 16 16 CYS H H 76 8.870 8.941 -0.071 1
1 157 . 31 1 1 A 16 16 CYS HA H 76 4.170 4.328 -0.158 1
1 160 . 31 1 1 A 16 16 CYS CA C 76 61.840 61.207 0.633 1
1 161 . 31 1 1 A 16 16 CYS CB C 76 31.150 27.983 3.167 1
1 162 . 31 1 1 A 16 16 CYS N N 76 131.840 124.715 7.125 1
1 163 . 31 1 1 A 17 17 GLY H H 77 8.530 7.794 0.736 1
1 164 . 31 1 1 A 17 17 GLY HA2 H 77 3.680 3.979 -0.299 1
1 165 . 31 1 1 A 17 17 GLY HA3 H 77 4.340 3.997 0.343 1
1 166 . 31 1 1 A 17 17 GLY C C 77 174.620 173.536 1.084 1
1 167 . 31 1 1 A 17 17 GLY CA C 77 45.110 45.030 0.080 1
1 168 . 31 1 1 A 17 17 GLY N N 77 111.930 108.338 3.592 1
1 169 . 31 1 1 A 18 18 ARG H H 78 8.960 7.760 1.200 1
1 170 . 31 1 1 A 18 18 ARG HA H 78 4.290 4.600 -0.310 1
1 177 . 31 1 1 A 18 18 ARG C C 78 175.270 175.653 -0.383 1
1 178 . 31 1 1 A 18 18 ARG CA C 78 56.350 54.337 2.013 1
1 179 . 31 1 1 A 18 18 ARG CB C 78 31.310 32.509 -1.199 1
1 182 . 31 1 1 A 18 18 ARG N N 78 124.390 121.608 2.782 1
1 183 . 31 1 1 A 19 19 ALA H H 79 8.340 8.574 -0.234 1
1 184 . 31 1 1 A 19 19 ALA HA H 79 4.170 4.194 -0.024 1
1 188 . 31 1 1 A 19 19 ALA C C 79 177.620 177.436 0.184 1
1 189 . 31 1 1 A 19 19 ALA CA C 79 52.710 52.372 0.338 1
1 190 . 31 1 1 A 19 19 ALA CB C 79 18.710 19.054 -0.344 1
1 191 . 31 1 1 A 19 19 ALA N N 79 123.880 127.560 -3.680 1
1 192 . 31 1 1 A 20 20 ALA H H 80 8.470 9.070 -0.600 1
1 193 . 31 1 1 A 20 20 ALA HA H 80 3.540 4.318 -0.778 1
1 197 . 31 1 1 A 20 20 ALA C C 80 177.560 177.735 -0.175 1
1 198 . 31 1 1 A 20 20 ALA CA C 80 52.840 52.608 0.232 1
1 199 . 31 1 1 A 20 20 ALA CB C 80 19.050 19.571 -0.521 1
1 200 . 31 1 1 A 20 20 ALA N N 80 124.580 123.569 1.011 1
1 201 . 31 1 1 A 21 21 GLY H H 81 8.090 8.671 -0.581 1
1 202 . 31 1 1 A 21 21 GLY HA2 H 81 3.800 4.114 -0.314 1
1 203 . 31 1 1 A 21 21 GLY HA3 H 81 4.430 4.143 0.287 1
1 204 . 31 1 1 A 21 21 GLY C C 81 173.170 174.368 -1.198 1
1 205 . 31 1 1 A 21 21 GLY CA C 81 44.390 44.611 -0.221 1
1 206 . 31 1 1 A 21 21 GLY N N 81 114.000 106.871 7.129 1
1 207 . 31 1 1 A 22 22 ASN H H 82 8.690 8.599 0.091 1
1 208 . 31 1 1 A 22 22 ASN HA H 82 4.650 5.027 -0.377 1
1 213 . 31 1 1 A 22 22 ASN C C 82 176.260 174.750 1.510 1
1 214 . 31 1 1 A 22 22 ASN CA C 82 53.580 52.601 0.979 1
1 215 . 31 1 1 A 22 22 ASN CB C 82 39.580 39.318 0.262 1
1 216 . 31 1 1 A 22 22 ASN N N 82 118.160 121.417 -3.257 1
1 218 . 31 1 1 A 23 23 ALA H H 83 8.720 7.384 1.336 1
1 219 . 31 1 1 A 23 23 ALA HA H 83 4.570 4.802 -0.232 1
1 223 . 31 1 1 A 23 23 ALA C C 83 175.910 176.500 -0.590 1
1 224 . 31 1 1 A 23 23 ALA CA C 83 52.340 50.734 1.606 1
1 225 . 31 1 1 A 23 23 ALA CB C 83 19.370 22.462 -3.092 1
1 226 . 31 1 1 A 23 23 ALA N N 83 125.180 123.161 2.019 1
1 227 . 31 1 1 A 24 24 SER H H 84 7.970 8.882 -0.912 1
1 228 . 31 1 1 A 24 24 SER HA H 84 5.310 5.217 0.093 1
1 230 . 31 1 1 A 24 24 SER C C 84 174.620 172.975 1.645 1
1 231 . 31 1 1 A 24 24 SER CA C 84 56.550 56.578 -0.028 1
1 232 . 31 1 1 A 24 24 SER CB C 84 66.420 65.960 0.460 1
1 233 . 31 1 1 A 24 24 SER N N 84 112.840 112.859 -0.019 1
1 234 . 31 1 1 A 25 25 PHE H H 85 9.580 8.898 0.682 1
1 235 . 31 1 1 A 25 25 PHE HA H 85 4.320 4.526 -0.206 1
1 241 . 31 1 1 A 25 25 PHE C C 85 173.430 174.921 -1.491 1
1 242 . 31 1 1 A 25 25 PHE CA C 85 57.780 59.867 -2.087 1
1 243 . 31 1 1 A 25 25 PHE CB C 85 38.780 39.690 -0.910 1
1 247 . 31 1 1 A 25 25 PHE N N 85 125.520 125.718 -0.198 1
1 248 . 31 1 1 A 26 26 SER H H 86 6.780 8.072 -1.292 1
1 249 . 31 1 1 A 26 26 SER HA H 86 4.430 4.826 -0.396 1
1 252 . 31 1 1 A 26 26 SER C C 86 174.200 174.692 -0.492 1
1 253 . 31 1 1 A 26 26 SER CA C 86 56.610 56.155 0.455 1
1 254 . 31 1 1 A 26 26 SER CB C 86 66.010 65.995 0.015 1
1 255 . 31 1 1 A 26 26 SER N N 86 118.860 118.822 0.038 1
1 256 . 31 1 1 A 27 27 LYS H H 87 8.710 8.673 0.037 1
1 257 . 31 1 1 A 27 27 LYS HA H 87 3.850 3.739 0.111 1
1 263 . 31 1 1 A 27 27 LYS C C 87 178.490 178.714 -0.224 1
1 264 . 31 1 1 A 27 27 LYS CA C 87 59.390 59.243 0.147 1
1 265 . 31 1 1 A 27 27 LYS CB C 87 31.970 32.752 -0.782 1
1 269 . 31 1 1 A 27 27 LYS N N 87 121.790 118.956 2.834 1
1 270 . 31 1 1 A 28 28 ARG H H 88 8.010 7.680 0.330 1
1 271 . 31 1 1 A 28 28 ARG HA H 88 3.990 4.017 -0.027 1
1 277 . 31 1 1 A 28 28 ARG C C 88 178.890 178.737 0.153 1
1 278 . 31 1 1 A 28 28 ARG CA C 88 59.010 58.592 0.418 1
1 279 . 31 1 1 A 28 28 ARG CB C 88 30.120 29.780 0.340 1
1 282 . 31 1 1 A 28 28 ARG N N 88 119.520 119.615 -0.095 1
1 283 . 31 1 1 A 29 29 ILE H H 89 7.350 7.607 -0.257 1
1 284 . 31 1 1 A 29 29 ILE HA H 89 3.680 3.688 -0.008 1
1 294 . 31 1 1 A 29 29 ILE C C 89 177.620 178.325 -0.705 1
1 295 . 31 1 1 A 29 29 ILE CA C 89 63.170 65.182 -2.012 1
1 296 . 31 1 1 A 29 29 ILE CB C 89 36.900 37.210 -0.310 1
1 300 . 31 1 1 A 29 29 ILE N N 89 121.980 119.780 2.200 1
1 301 . 31 1 1 A 30 30 GLN H H 90 7.990 7.952 0.038 1
1 302 . 31 1 1 A 30 30 GLN HA H 90 3.630 3.923 -0.293 1
1 308 . 31 1 1 A 30 30 GLN C C 90 178.320 178.673 -0.353 1
1 309 . 31 1 1 A 30 30 GLN CA C 90 59.200 59.274 -0.074 1
1 310 . 31 1 1 A 30 30 GLN CB C 90 28.700 28.149 0.551 1
1 312 . 31 1 1 A 30 30 GLN N N 90 121.020 121.340 -0.320 1
1 314 . 31 1 1 A 31 31 LYS H H 91 7.990 8.198 -0.208 1
1 315 . 31 1 1 A 31 31 LYS HA H 91 4.090 4.043 0.047 1
1 321 . 31 1 1 A 31 31 LYS C C 91 178.650 178.800 -0.150 1
1 322 . 31 1 1 A 31 31 LYS CA C 91 58.720 59.110 -0.390 1
1 323 . 31 1 1 A 31 31 LYS CB C 91 32.220 32.028 0.192 1
1 327 . 31 1 1 A 31 31 LYS N N 91 119.520 118.690 0.830 1
1 328 . 31 1 1 A 32 32 SER H H 92 7.770 8.024 -0.254 1
1 329 . 31 1 1 A 32 32 SER HA H 92 4.320 4.210 0.110 1
1 332 . 31 1 1 A 32 32 SER C C 92 176.110 177.494 -1.384 1
1 333 . 31 1 1 A 32 32 SER CA C 92 61.260 61.465 -0.205 1
1 334 . 31 1 1 A 32 32 SER CB C 92 63.610 62.979 0.631 1
1 335 . 31 1 1 A 32 32 SER N N 92 116.310 114.781 1.529 1
1 336 . 31 1 1 A 33 33 ILE H H 93 7.960 8.138 -0.178 1
1 337 . 31 1 1 A 33 33 ILE HA H 93 3.920 3.763 0.157 1
1 347 . 31 1 1 A 33 33 ILE C C 93 177.480 178.286 -0.806 1
1 348 . 31 1 1 A 33 33 ILE CA C 93 63.610 65.072 -1.462 1
1 349 . 31 1 1 A 33 33 ILE CB C 93 38.330 37.232 1.098 1
1 353 . 31 1 1 A 33 33 ILE N N 93 119.950 121.603 -1.653 1
1 354 . 31 1 1 A 34 34 SER H H 94 7.970 8.381 -0.411 1
1 355 . 31 1 1 A 34 34 SER HA H 94 4.390 4.084 0.306 1
1 357 . 31 1 1 A 34 34 SER C C 94 176.490 175.961 0.529 1
1 358 . 31 1 1 A 34 34 SER CA C 94 60.560 61.715 -1.155 1
1 359 . 31 1 1 A 34 34 SER CB C 94 63.130 62.783 0.347 1
1 360 . 31 1 1 A 34 34 SER N N 94 117.230 116.448 0.782 1
1 361 . 31 1 1 A 35 35 GLN H H 95 8.220 8.202 0.018 1
1 362 . 31 1 1 A 35 35 GLN HA H 95 4.260 4.018 0.242 1
1 369 . 31 1 1 A 35 35 GLN C C 95 177.050 178.147 -1.097 1
1 370 . 31 1 1 A 35 35 GLN CA C 95 57.360 58.950 -1.590 1
1 371 . 31 1 1 A 35 35 GLN CB C 95 28.900 28.397 0.503 1
1 373 . 31 1 1 A 35 35 GLN N N 95 121.530 121.640 -0.110 1
1 375 . 31 1 1 A 36 36 LYS H H 96 7.870 7.765 0.105 1
1 376 . 31 1 1 A 36 36 LYS HA H 96 4.280 4.106 0.174 1
1 383 . 31 1 1 A 36 36 LYS C C 96 176.160 176.798 -0.638 1
1 384 . 31 1 1 A 36 36 LYS CA C 96 56.570 59.212 -2.642 1
1 385 . 31 1 1 A 36 36 LYS CB C 96 33.600 32.534 1.066 1
1 389 . 31 1 1 A 36 36 LYS N N 96 118.550 116.442 2.108 1
1 390 . 31 1 1 A 37 37 LYS H H 97 8.110 8.118 -0.008 1
1 391 . 31 1 1 A 37 37 LYS HA H 97 4.110 3.916 0.194 1
1 396 . 31 1 1 A 37 37 LYS C C 97 176.210 175.407 0.803 1
1 397 . 31 1 1 A 37 37 LYS CA C 97 57.230 57.312 -0.082 1
1 398 . 31 1 1 A 37 37 LYS CB C 97 30.580 30.885 -0.305 1
1 402 . 31 1 1 A 37 37 LYS N N 97 117.680 119.009 -1.329 1
1 403 . 31 1 1 A 38 38 VAL H H 98 7.430 7.783 -0.353 1
1 404 . 31 1 1 A 38 38 VAL HA H 98 4.350 4.859 -0.509 1
1 412 . 31 1 1 A 38 38 VAL C C 98 175.830 175.444 0.386 1
1 413 . 31 1 1 A 38 38 VAL CA C 98 60.580 58.908 1.672 1
1 414 . 31 1 1 A 38 38 VAL CB C 98 33.410 35.116 -1.706 1
1 417 . 31 1 1 A 38 38 VAL N N 98 115.860 114.881 0.979 1
1 418 . 31 1 1 A 39 39 LYS H H 99 8.960 8.360 0.600 1
1 419 . 31 1 1 A 39 39 LYS HA H 99 4.430 4.499 -0.069 1
1 425 . 31 1 1 A 39 39 LYS C C 99 175.700 174.700 1.000 1
1 426 . 31 1 1 A 39 39 LYS CA C 99 55.420 55.816 -0.396 1
1 427 . 31 1 1 A 39 39 LYS CB C 99 30.580 31.706 -1.126 1
1 431 . 31 1 1 A 39 39 LYS N N 99 127.710 118.701 9.009 1
1 432 . 31 1 1 A 40 40 ILE H H 100 7.660 7.385 0.275 1
1 433 . 31 1 1 A 40 40 ILE HA H 100 5.020 4.765 0.255 1
1 443 . 31 1 1 A 40 40 ILE C C 100 174.520 174.931 -0.411 1
1 444 . 31 1 1 A 40 40 ILE CA C 100 59.370 60.759 -1.389 1
1 445 . 31 1 1 A 40 40 ILE CB C 100 40.650 39.286 1.364 1
1 449 . 31 1 1 A 40 40 ILE N N 100 123.140 121.918 1.222 1
1 450 . 31 1 1 A 41 41 GLU H H 101 8.490 8.798 -0.308 1
1 451 . 31 1 1 A 41 41 GLU HA H 101 4.620 4.997 -0.377 1
1 456 . 31 1 1 A 41 41 GLU C C 101 173.590 174.955 -1.365 1
1 457 . 31 1 1 A 41 41 GLU CA C 101 53.740 54.787 -1.047 1
1 458 . 31 1 1 A 41 41 GLU CB C 101 34.580 32.427 2.153 1
1 460 . 31 1 1 A 41 41 GLU N N 101 123.460 125.575 -2.115 1
1 461 . 31 1 1 A 42 42 LEU H H 102 8.490 8.274 0.216 1
1 462 . 31 1 1 A 42 42 LEU HA H 102 3.790 4.360 -0.570 1
1 472 . 31 1 1 A 42 42 LEU C C 102 176.440 175.572 0.868 1
1 473 . 31 1 1 A 42 42 LEU CA C 102 55.190 54.403 0.787 1
1 474 . 31 1 1 A 42 42 LEU CB C 102 43.100 43.389 -0.289 1
1 478 . 31 1 1 A 42 42 LEU N N 102 123.470 123.250 0.220 1
1 479 . 31 1 1 A 43 43 ASP H H 103 8.770 8.144 0.626 1
1 480 . 31 1 1 A 43 43 ASP HA H 103 4.520 4.707 -0.187 1
1 483 . 31 1 1 A 43 43 ASP C C 103 177.600 176.681 0.919 1
1 484 . 31 1 1 A 43 43 ASP CA C 103 53.740 54.059 -0.319 1
1 485 . 31 1 1 A 43 43 ASP CB C 103 41.880 42.448 -0.568 1
1 486 . 31 1 1 A 43 43 ASP N N 103 127.210 125.598 1.612 1
1 487 . 31 1 1 A 44 44 LYS H H 104 8.910 9.038 -0.128 1
1 488 . 31 1 1 A 44 44 LYS HA H 104 3.920 4.366 -0.446 1
1 495 . 31 1 1 A 44 44 LYS C C 104 177.340 177.427 -0.087 1
1 496 . 31 1 1 A 44 44 LYS CA C 104 58.930 56.630 2.300 1
1 497 . 31 1 1 A 44 44 LYS CB C 104 32.000 32.666 -0.666 1
1 501 . 31 1 1 A 44 44 LYS N N 104 129.080 126.939 2.141 1
1 502 . 31 1 1 A 45 45 SER H H 105 8.740 7.599 1.141 1
1 503 . 31 1 1 A 45 45 SER HA H 105 4.370 4.363 0.007 1
1 506 . 31 1 1 A 45 45 SER C C 105 175.040 174.777 0.263 1
1 507 . 31 1 1 A 45 45 SER CA C 105 59.150 58.343 0.807 1
1 508 . 31 1 1 A 45 45 SER CB C 105 63.830 63.670 0.160 1
1 509 . 31 1 1 A 45 45 SER N N 105 115.270 111.841 3.429 1
1 510 . 31 1 1 A 46 46 ALA H H 106 7.430 7.316 0.114 1
1 511 . 31 1 1 A 46 46 ALA HA H 106 4.150 4.189 -0.039 1
1 515 . 31 1 1 A 46 46 ALA CA C 106 53.300 52.445 0.855 1
1 516 . 31 1 1 A 46 46 ALA CB C 106 19.190 19.812 -0.622 1
1 517 . 31 1 1 A 46 46 ALA N N 106 125.120 125.875 -0.755 1
1 518 . 31 1 1 A 47 47 ARG HA H 107 4.280 4.526 -0.246 1
1 526 . 31 1 1 A 48 48 HIS HA H 108 4.650 4.968 -0.318 1
1 531 . 31 1 1 A 48 48 HIS C C 108 173.160 172.466 0.694 1
1 532 . 31 1 1 A 48 48 HIS CA C 108 54.990 54.471 0.519 1
1 533 . 31 1 1 A 48 48 HIS CB C 108 33.400 31.611 1.789 1
1 538 . 31 1 1 A 49 49 LEU H H 109 8.030 8.585 -0.555 1
1 539 . 31 1 1 A 49 49 LEU HA H 109 5.040 4.787 0.253 1
1 549 . 31 1 1 A 49 49 LEU CA C 109 54.480 54.158 0.322 1
1 550 . 31 1 1 A 49 49 LEU CB C 109 43.010 43.200 -0.190 1
1 554 . 31 1 1 A 49 49 LEU N N 109 120.130 119.581 0.549 1
1 555 . 31 1 1 A 50 50 TYR HA H 110 5.020 5.229 -0.209 1
1 560 . 31 1 1 A 50 50 TYR C C 110 176.960 175.666 1.294 1
1 561 . 31 1 1 A 50 50 TYR CA C 110 60.340 56.835 3.505 1
1 562 . 31 1 1 A 50 50 TYR CB C 110 39.210 41.020 -1.810 1
1 565 . 31 1 1 A 51 51 ILE H H 111 8.510 8.813 -0.303 1
1 566 . 31 1 1 A 51 51 ILE HA H 111 5.960 4.782 1.178 1
1 576 . 31 1 1 A 51 51 ILE C C 111 177.900 176.254 1.646 1
1 577 . 31 1 1 A 51 51 ILE CA C 111 58.100 59.472 -1.372 1
1 578 . 31 1 1 A 51 51 ILE CB C 111 41.370 40.137 1.233 1
1 582 . 31 1 1 A 51 51 ILE N N 111 115.050 120.773 -5.723 1
1 583 . 31 1 1 A 52 52 CYS H H 112 9.830 8.963 0.867 1
1 584 . 31 1 1 A 52 52 CYS HA H 112 5.000 4.933 0.067 1
1 587 . 31 1 1 A 52 52 CYS C C 112 175.420 175.609 -0.189 1
1 588 . 31 1 1 A 52 52 CYS CA C 112 57.770 57.351 0.419 1
1 589 . 31 1 1 A 52 52 CYS CB C 112 33.120 30.062 3.058 1
1 590 . 31 1 1 A 52 52 CYS N N 112 125.820 121.887 3.933 1
1 591 . 31 1 1 A 53 53 ASP H H 113 9.000 8.992 0.008 1
1 592 . 31 1 1 A 53 53 ASP HA H 113 4.510 4.322 0.188 1
1 594 . 31 1 1 A 53 53 ASP C C 113 178.140 177.529 0.611 1
1 595 . 31 1 1 A 53 53 ASP CA C 113 57.330 57.389 -0.059 1
1 596 . 31 1 1 A 53 53 ASP CB C 113 39.730 40.672 -0.942 1
1 597 . 31 1 1 A 53 53 ASP N N 113 121.960 121.992 -0.032 1
1 598 . 31 1 1 A 54 54 TYR H H 114 8.220 8.146 0.074 1
1 599 . 31 1 1 A 54 54 TYR HA H 114 4.100 4.209 -0.109 1
1 604 . 31 1 1 A 54 54 TYR C C 114 178.410 177.246 1.164 1
1 605 . 31 1 1 A 54 54 TYR CA C 114 61.970 61.695 0.275 1
1 606 . 31 1 1 A 54 54 TYR CB C 114 37.150 39.000 -1.850 1
1 609 . 31 1 1 A 54 54 TYR N N 114 123.510 120.758 2.752 1
1 610 . 31 1 1 A 55 55 HIS H H 115 10.090 7.813 2.277 1
1 611 . 31 1 1 A 55 55 HIS HA H 115 4.040 4.256 -0.216 1
1 616 . 31 1 1 A 55 55 HIS C C 115 177.240 177.478 -0.238 1
1 617 . 31 1 1 A 55 55 HIS CA C 115 63.870 59.746 4.124 1
1 618 . 31 1 1 A 55 55 HIS CB C 115 29.600 29.611 -0.011 1
1 621 . 31 1 1 A 55 55 HIS N N 115 124.830 117.017 7.813 1
1 624 . 31 1 1 A 56 56 LYS H H 116 8.830 8.308 0.522 1
1 625 . 31 1 1 A 56 56 LYS HA H 116 3.720 3.902 -0.182 1
1 633 . 31 1 1 A 56 56 LYS C C 116 178.140 178.981 -0.841 1
1 634 . 31 1 1 A 56 56 LYS CA C 116 60.590 60.010 0.580 1
1 635 . 31 1 1 A 56 56 LYS CB C 116 32.230 32.488 -0.258 1
1 639 . 31 1 1 A 56 56 LYS N N 116 123.340 120.573 2.767 1
1 640 . 31 1 1 A 57 57 ASN H H 117 8.140 8.068 0.072 1
1 641 . 31 1 1 A 57 57 ASN HA H 117 4.340 4.499 -0.159 1
1 646 . 31 1 1 A 57 57 ASN C C 117 177.570 177.413 0.157 1
1 647 . 31 1 1 A 57 57 ASN CA C 117 55.890 56.232 -0.342 1
1 648 . 31 1 1 A 57 57 ASN CB C 117 38.070 38.758 -0.688 1
1 649 . 31 1 1 A 57 57 ASN N N 117 116.920 118.303 -1.383 1
1 651 . 31 1 1 A 58 58 LEU H H 118 7.890 7.845 0.045 1
1 652 . 31 1 1 A 58 58 LEU HA H 118 3.930 3.985 -0.055 1
1 662 . 31 1 1 A 58 58 LEU C C 118 179.400 178.823 0.577 1
1 663 . 31 1 1 A 58 58 LEU CA C 118 58.420 57.996 0.424 1
1 664 . 31 1 1 A 58 58 LEU CB C 118 43.170 41.560 1.610 1
1 668 . 31 1 1 A 58 58 LEU N N 118 123.590 120.266 3.324 1
1 669 . 31 1 1 A 59 59 ILE H H 119 8.360 7.763 0.597 1
1 670 . 31 1 1 A 59 59 ILE HA H 119 3.470 3.905 -0.435 1
1 680 . 31 1 1 A 59 59 ILE C C 119 177.290 178.038 -0.748 1
1 681 . 31 1 1 A 59 59 ILE CA C 119 65.260 64.027 1.233 1
1 682 . 31 1 1 A 59 59 ILE CB C 119 38.330 38.027 0.303 1
1 686 . 31 1 1 A 59 59 ILE N N 119 118.630 119.010 -0.380 1
1 687 . 31 1 1 A 60 60 GLN H H 120 7.830 8.404 -0.574 1
1 688 . 31 1 1 A 60 60 GLN HA H 120 4.130 3.958 0.172 1
1 694 . 31 1 1 A 60 60 GLN C C 120 177.240 177.921 -0.681 1
1 695 . 31 1 1 A 60 60 GLN CA C 120 57.750 59.088 -1.338 1
1 696 . 31 1 1 A 60 60 GLN CB C 120 28.910 28.135 0.775 1
1 698 . 31 1 1 A 60 60 GLN N N 120 117.840 120.338 -2.498 1
1 700 . 31 1 1 A 61 61 SER H H 121 7.790 8.136 -0.346 1
1 701 . 31 1 1 A 61 61 SER HA H 121 4.300 4.541 -0.241 1
1 703 . 31 1 1 A 61 61 SER C C 121 175.650 174.732 0.918 1
1 704 . 31 1 1 A 61 61 SER CA C 121 60.090 59.555 0.535 1
1 705 . 31 1 1 A 61 61 SER CB C 121 63.570 62.702 0.868 1
1 706 . 31 1 1 A 61 61 SER N N 121 115.460 114.153 1.307 1
1 707 . 31 1 1 A 62 62 VAL H H 122 8.020 7.258 0.762 1
1 708 . 31 1 1 A 62 62 VAL HA H 122 4.020 4.048 -0.028 1
1 716 . 31 1 1 A 62 62 VAL C C 122 176.960 177.115 -0.155 1
1 717 . 31 1 1 A 62 62 VAL CA C 122 63.600 64.747 -1.147 1
1 718 . 31 1 1 A 62 62 VAL CB C 122 32.300 32.394 -0.094 1
1 721 . 31 1 1 A 62 62 VAL N N 122 121.600 120.235 1.365 1
1 722 . 31 1 1 A 63 63 ARG H H 123 8.130 7.734 0.396 1
1 723 . 31 1 1 A 63 63 ARG HA H 123 4.190 4.500 -0.310 1
1 729 . 31 1 1 A 63 63 ARG C C 123 176.490 175.160 1.330 1
1 730 . 31 1 1 A 63 63 ARG CA C 123 57.070 55.446 1.624 1
1 731 . 31 1 1 A 63 63 ARG CB C 123 30.780 31.752 -0.972 1
1 734 . 31 1 1 A 63 63 ARG N N 123 122.770 118.235 4.535 1
1 735 . 31 1 1 A 64 64 ASN H H 124 8.210 7.684 0.526 1
1 736 . 31 1 1 A 64 64 ASN HA H 124 4.650 5.045 -0.395 1
1 741 . 31 1 1 A 64 64 ASN C C 124 175.310 175.323 -0.013 1
1 742 . 31 1 1 A 64 64 ASN CA C 124 53.500 52.391 1.109 1
1 743 . 31 1 1 A 64 64 ASN CB C 124 38.840 40.447 -1.607 1
1 744 . 31 1 1 A 64 64 ASN N N 124 119.350 118.501 0.849 1
1 746 . 31 1 1 A 65 65 ARG H H 125 8.100 8.862 -0.762 1
1 747 . 31 1 1 A 65 65 ARG HA H 125 4.270 4.050 0.220 1
1 752 . 31 1 1 A 65 65 ARG C C 125 176.310 175.494 0.816 1
1 753 . 31 1 1 A 65 65 ARG CA C 125 56.580 58.969 -2.389 1
1 754 . 31 1 1 A 65 65 ARG CB C 125 30.810 31.095 -0.285 1
1 757 . 31 1 1 A 65 65 ARG N N 125 122.230 126.591 -4.361 1
1 758 . 31 1 1 A 66 66 ARG H H 126 8.260 8.050 0.210 1
1 759 . 31 1 1 A 66 66 ARG HA H 126 4.270 4.729 -0.459 1
1 764 . 31 1 1 A 66 66 ARG C C 126 176.210 176.458 -0.248 1
1 765 . 31 1 1 A 66 66 ARG CA C 126 56.190 54.011 2.179 1
1 766 . 31 1 1 A 66 66 ARG CB C 126 30.810 33.019 -2.209 1
1 769 . 31 1 1 A 66 66 ARG N N 126 122.760 117.972 4.788 1
1 770 . 31 1 1 A 67 67 LYS H H 127 8.270 8.855 -0.585 1
1 771 . 31 1 1 A 67 67 LYS HA H 127 4.260 4.244 0.016 1
1 776 . 31 1 1 A 67 67 LYS C C 127 176.450 175.854 0.596 1
1 777 . 31 1 1 A 67 67 LYS CA C 127 56.320 58.236 -1.916 1
1 778 . 31 1 1 A 67 67 LYS CB C 127 33.180 33.285 -0.105 1
1 782 . 31 1 1 A 67 67 LYS N N 127 123.620 122.615 1.005 1
1 783 . 31 1 1 A 68 68 ARG H H 128 8.340 7.760 0.580 1
1 784 . 31 1 1 A 68 68 ARG HA H 128 4.270 4.660 -0.390 1
1 788 . 31 1 1 A 68 68 ARG C C 128 176.250 174.745 1.505 1
1 789 . 31 1 1 A 68 68 ARG CA C 128 56.130 55.643 0.487 1
1 790 . 31 1 1 A 68 68 ARG CB C 128 31.060 33.220 -2.160 1
1 793 . 31 1 1 A 68 68 ARG N N 128 123.750 118.633 5.117 1
1 794 . 31 1 1 A 69 69 LYS H H 129 8.450 8.529 -0.079 1
1 795 . 31 1 1 A 69 69 LYS HA H 129 4.250 4.532 -0.282 1
1 800 . 31 1 1 A 69 69 LYS C C 129 177.010 175.763 1.247 1
1 801 . 31 1 1 A 69 69 LYS CA C 129 57.000 57.476 -0.476 1
1 802 . 31 1 1 A 69 69 LYS CB C 129 32.940 35.267 -2.327 1
1 806 . 31 1 1 A 69 69 LYS N N 129 124.580 127.960 -3.380 1
1 807 . 31 1 1 A 70 70 GLY H H 130 8.500 7.481 1.019 1
1 808 . 31 1 1 A 70 70 GLY HA2 H 130 3.910 4.162 -0.252 1
1 809 . 31 1 1 A 70 70 GLY HA3 H 130 4.010 4.163 -0.153 1
1 810 . 31 1 1 A 70 70 GLY C C 130 173.360 172.828 0.532 1
1 811 . 31 1 1 A 70 70 GLY CA C 130 45.370 45.859 -0.489 1
1 812 . 31 1 1 A 70 70 GLY N N 130 112.470 107.207 5.263 1
1 6 . 32 1 1 A 2 2 ASN HA H 62 4.610 5.086 -0.476 1
1 10 . 32 1 1 A 2 2 ASN C C 62 174.760 174.415 0.345 1
1 11 . 32 1 1 A 2 2 ASN CA C 62 53.100 52.043 1.057 1
1 12 . 32 1 1 A 2 2 ASN CB C 62 38.790 39.320 -0.530 1
1 14 . 32 1 1 A 3 3 ALA H H 63 8.300 8.404 -0.104 1
1 15 . 32 1 1 A 3 3 ALA HA H 63 4.200 4.466 -0.266 1
1 19 . 32 1 1 A 3 3 ALA C C 63 178.180 176.143 2.037 1
1 20 . 32 1 1 A 3 3 ALA CA C 63 53.070 50.830 2.240 1
1 21 . 32 1 1 A 3 3 ALA CB C 63 18.960 19.464 -0.504 1
1 22 . 32 1 1 A 3 3 ALA N N 63 125.390 125.223 0.167 1
1 23 . 32 1 1 A 4 4 GLY H H 64 8.340 7.335 1.005 1
1 24 . 32 1 1 A 4 4 GLY HA2 H 64 3.800 4.080 -0.280 1
1 25 . 32 1 1 A 4 4 GLY HA3 H 64 3.860 4.101 -0.241 1
1 26 . 32 1 1 A 4 4 GLY C C 64 174.010 173.407 0.603 1
1 27 . 32 1 1 A 4 4 GLY CA C 64 45.350 45.528 -0.178 1
1 28 . 32 1 1 A 4 4 GLY N N 64 109.300 105.904 3.396 1
1 29 . 32 1 1 A 5 5 GLN H H 65 7.950 8.191 -0.241 1
1 30 . 32 1 1 A 5 5 GLN HA H 65 4.330 4.279 0.051 1
1 35 . 32 1 1 A 5 5 GLN C C 65 175.560 174.931 0.629 1
1 36 . 32 1 1 A 5 5 GLN CA C 65 55.400 56.344 -0.944 1
1 37 . 32 1 1 A 5 5 GLN CB C 65 29.860 29.796 0.064 1
1 39 . 32 1 1 A 5 5 GLN N N 65 119.540 122.951 -3.411 1
1 41 . 32 1 1 A 6 6 LEU H H 66 8.740 8.310 0.430 1
1 42 . 32 1 1 A 6 6 LEU HA H 66 4.610 5.041 -0.431 1
1 52 . 32 1 1 A 6 6 LEU C C 66 175.750 176.064 -0.314 1
1 53 . 32 1 1 A 6 6 LEU CA C 66 54.010 53.259 0.751 1
1 54 . 32 1 1 A 6 6 LEU CB C 66 43.490 45.226 -1.736 1
1 58 . 32 1 1 A 6 6 LEU N N 66 126.120 121.289 4.831 1
1 59 . 32 1 1 A 7 7 CYS H H 67 8.470 8.906 -0.436 1
1 60 . 32 1 1 A 7 7 CYS HA H 67 4.140 4.394 -0.254 1
1 63 . 32 1 1 A 7 7 CYS C C 67 175.320 176.341 -1.021 1
1 64 . 32 1 1 A 7 7 CYS CA C 67 60.780 59.964 0.816 1
1 65 . 32 1 1 A 7 7 CYS CB C 67 32.850 28.559 4.291 1
1 66 . 32 1 1 A 7 7 CYS N N 67 123.170 123.826 -0.656 1
1 67 . 32 1 1 A 8 8 CYS H H 68 8.170 8.739 -0.569 1
1 68 . 32 1 1 A 8 8 CYS HA H 68 4.280 4.601 -0.321 1
1 72 . 32 1 1 A 8 8 CYS C C 68 172.410 174.197 -1.787 1
1 73 . 32 1 1 A 8 8 CYS CA C 68 58.920 58.541 0.379 1
1 74 . 32 1 1 A 8 8 CYS CB C 68 28.920 27.336 1.584 1
1 75 . 32 1 1 A 8 8 CYS N N 68 124.700 122.550 2.150 1
1 76 . 32 1 1 A 9 9 LEU H H 69 8.180 7.614 0.566 1
1 77 . 32 1 1 A 9 9 LEU HA H 69 4.580 4.789 -0.209 1
1 87 . 32 1 1 A 9 9 LEU C C 69 176.770 175.954 0.816 1
1 88 . 32 1 1 A 9 9 LEU CA C 69 54.760 53.457 1.303 1
1 89 . 32 1 1 A 9 9 LEU CB C 69 43.150 45.796 -2.646 1
1 93 . 32 1 1 A 9 9 LEU N N 69 122.650 122.266 0.384 1
1 94 . 32 1 1 A 10 10 ARG H H 70 8.880 8.277 0.603 1
1 95 . 32 1 1 A 10 10 ARG HA H 70 4.770 5.548 -0.778 1
1 102 . 32 1 1 A 10 10 ARG C C 70 174.900 174.172 0.728 1
1 103 . 32 1 1 A 10 10 ARG CA C 70 54.710 54.298 0.412 1
1 104 . 32 1 1 A 10 10 ARG CB C 70 33.390 32.961 0.429 1
1 107 . 32 1 1 A 10 10 ARG N N 70 117.650 120.809 -3.159 1
1 108 . 32 1 1 A 11 11 GLU H H 71 8.640 9.227 -0.587 1
1 109 . 32 1 1 A 11 11 GLU HA H 71 5.090 4.848 0.242 1
1 113 . 32 1 1 A 11 11 GLU C C 71 176.070 175.405 0.665 1
1 114 . 32 1 1 A 11 11 GLU CA C 71 54.270 54.969 -0.699 1
1 115 . 32 1 1 A 11 11 GLU CB C 71 32.460 30.818 1.642 1
1 117 . 32 1 1 A 11 11 GLU N N 71 123.910 125.184 -1.274 1
1 118 . 32 1 1 A 12 12 ASP H H 72 9.510 9.338 0.172 1
1 119 . 32 1 1 A 12 12 ASP HA H 72 4.270 4.375 -0.105 1
1 122 . 32 1 1 A 12 12 ASP C C 72 175.890 176.202 -0.312 1
1 123 . 32 1 1 A 12 12 ASP CA C 72 55.880 55.333 0.547 1
1 124 . 32 1 1 A 12 12 ASP CB C 72 39.910 39.148 0.762 1
1 125 . 32 1 1 A 12 12 ASP N N 72 129.440 128.048 1.392 1
1 126 . 32 1 1 A 13 13 GLY H H 73 8.970 8.296 0.674 1
1 127 . 32 1 1 A 13 13 GLY HA2 H 73 3.520 4.018 -0.498 1
1 128 . 32 1 1 A 13 13 GLY HA3 H 73 4.200 4.021 0.179 1
1 129 . 32 1 1 A 13 13 GLY C C 73 173.960 174.292 -0.332 1
1 130 . 32 1 1 A 13 13 GLY CA C 73 45.350 45.093 0.257 1
1 131 . 32 1 1 A 13 13 GLY N N 73 103.500 105.277 -1.777 1
1 132 . 32 1 1 A 14 14 GLU H H 74 7.660 7.758 -0.098 1
1 133 . 32 1 1 A 14 14 GLU HA H 74 4.640 4.441 0.199 1
1 138 . 32 1 1 A 14 14 GLU C C 74 176.170 176.231 -0.061 1
1 139 . 32 1 1 A 14 14 GLU CA C 74 54.460 55.761 -1.301 1
1 140 . 32 1 1 A 14 14 GLU CB C 74 32.050 30.639 1.411 1
1 142 . 32 1 1 A 14 14 GLU N N 74 121.330 121.237 0.093 1
1 143 . 32 1 1 A 15 15 ARG H H 75 9.000 8.832 0.168 1
1 144 . 32 1 1 A 15 15 ARG HA H 75 4.120 4.508 -0.388 1
1 150 . 32 1 1 A 15 15 ARG C C 75 175.230 175.912 -0.682 1
1 151 . 32 1 1 A 15 15 ARG CA C 75 56.640 55.127 1.513 1
1 152 . 32 1 1 A 15 15 ARG CB C 75 29.720 28.390 1.330 1
1 155 . 32 1 1 A 15 15 ARG N N 75 127.990 126.399 1.591 1
1 156 . 32 1 1 A 16 16 CYS H H 76 8.870 9.076 -0.206 1
1 157 . 32 1 1 A 16 16 CYS HA H 76 4.170 4.315 -0.145 1
1 160 . 32 1 1 A 16 16 CYS CA C 76 61.840 61.131 0.709 1
1 161 . 32 1 1 A 16 16 CYS CB C 76 31.150 28.022 3.128 1
1 162 . 32 1 1 A 16 16 CYS N N 76 131.840 118.409 13.431 1
1 163 . 32 1 1 A 17 17 GLY H H 77 8.530 8.229 0.301 1
1 164 . 32 1 1 A 17 17 GLY HA2 H 77 3.680 3.890 -0.210 1
1 165 . 32 1 1 A 17 17 GLY HA3 H 77 4.340 3.907 0.433 1
1 166 . 32 1 1 A 17 17 GLY C C 77 174.620 173.425 1.195 1
1 167 . 32 1 1 A 17 17 GLY CA C 77 45.110 45.154 -0.044 1
1 168 . 32 1 1 A 17 17 GLY N N 77 111.930 108.486 3.444 1
1 169 . 32 1 1 A 18 18 ARG H H 78 8.960 7.768 1.192 1
1 170 . 32 1 1 A 18 18 ARG HA H 78 4.290 4.593 -0.303 1
1 177 . 32 1 1 A 18 18 ARG C C 78 175.270 175.895 -0.625 1
1 178 . 32 1 1 A 18 18 ARG CA C 78 56.350 54.382 1.968 1
1 179 . 32 1 1 A 18 18 ARG CB C 78 31.310 32.460 -1.150 1
1 182 . 32 1 1 A 18 18 ARG N N 78 124.390 121.592 2.798 1
1 183 . 32 1 1 A 19 19 ALA H H 79 8.340 8.501 -0.161 1
1 184 . 32 1 1 A 19 19 ALA HA H 79 4.170 4.444 -0.274 1
1 188 . 32 1 1 A 19 19 ALA C C 79 177.620 177.327 0.293 1
1 189 . 32 1 1 A 19 19 ALA CA C 79 52.710 52.292 0.418 1
1 190 . 32 1 1 A 19 19 ALA CB C 79 18.710 19.263 -0.553 1
1 191 . 32 1 1 A 19 19 ALA N N 79 123.880 126.972 -3.092 1
1 192 . 32 1 1 A 20 20 ALA H H 80 8.470 8.383 0.087 1
1 193 . 32 1 1 A 20 20 ALA HA H 80 3.540 4.762 -1.222 1
1 197 . 32 1 1 A 20 20 ALA C C 80 177.560 177.739 -0.179 1
1 198 . 32 1 1 A 20 20 ALA CA C 80 52.840 51.517 1.323 1
1 199 . 32 1 1 A 20 20 ALA CB C 80 19.050 19.694 -0.644 1
1 200 . 32 1 1 A 20 20 ALA N N 80 124.580 122.921 1.659 1
1 201 . 32 1 1 A 21 21 GLY H H 81 8.090 9.013 -0.923 1
1 202 . 32 1 1 A 21 21 GLY HA2 H 81 3.800 4.152 -0.352 1
1 203 . 32 1 1 A 21 21 GLY HA3 H 81 4.430 4.182 0.248 1
1 204 . 32 1 1 A 21 21 GLY C C 81 173.170 174.433 -1.263 1
1 205 . 32 1 1 A 21 21 GLY CA C 81 44.390 44.527 -0.137 1
1 206 . 32 1 1 A 21 21 GLY N N 81 114.000 107.642 6.358 1
1 207 . 32 1 1 A 22 22 ASN H H 82 8.690 8.621 0.069 1
1 208 . 32 1 1 A 22 22 ASN HA H 82 4.650 4.881 -0.231 1
1 213 . 32 1 1 A 22 22 ASN C C 82 176.260 175.202 1.058 1
1 214 . 32 1 1 A 22 22 ASN CA C 82 53.580 52.767 0.813 1
1 215 . 32 1 1 A 22 22 ASN CB C 82 39.580 39.268 0.312 1
1 216 . 32 1 1 A 22 22 ASN N N 82 118.160 122.340 -4.180 1
1 218 . 32 1 1 A 23 23 ALA H H 83 8.720 7.639 1.081 1
1 219 . 32 1 1 A 23 23 ALA HA H 83 4.570 4.418 0.152 1
1 223 . 32 1 1 A 23 23 ALA C C 83 175.910 176.947 -1.037 1
1 224 . 32 1 1 A 23 23 ALA CA C 83 52.340 52.153 0.187 1
1 225 . 32 1 1 A 23 23 ALA CB C 83 19.370 20.579 -1.209 1
1 226 . 32 1 1 A 23 23 ALA N N 83 125.180 121.786 3.394 1
1 227 . 32 1 1 A 24 24 SER H H 84 7.970 8.718 -0.748 1
1 228 . 32 1 1 A 24 24 SER HA H 84 5.310 5.076 0.234 1
1 230 . 32 1 1 A 24 24 SER C C 84 174.620 172.537 2.083 1
1 231 . 32 1 1 A 24 24 SER CA C 84 56.550 56.412 0.138 1
1 232 . 32 1 1 A 24 24 SER CB C 84 66.420 65.908 0.512 1
1 233 . 32 1 1 A 24 24 SER N N 84 112.840 112.088 0.752 1
1 234 . 32 1 1 A 25 25 PHE H H 85 9.580 8.882 0.698 1
1 235 . 32 1 1 A 25 25 PHE HA H 85 4.320 4.824 -0.504 1
1 241 . 32 1 1 A 25 25 PHE C C 85 173.430 174.552 -1.122 1
1 242 . 32 1 1 A 25 25 PHE CA C 85 57.780 58.794 -1.014 1
1 243 . 32 1 1 A 25 25 PHE CB C 85 38.780 40.329 -1.549 1
1 247 . 32 1 1 A 25 25 PHE N N 85 125.520 125.247 0.273 1
1 248 . 32 1 1 A 26 26 SER H H 86 6.780 7.912 -1.132 1
1 249 . 32 1 1 A 26 26 SER HA H 86 4.430 4.508 -0.078 1
1 252 . 32 1 1 A 26 26 SER C C 86 174.200 173.871 0.329 1
1 253 . 32 1 1 A 26 26 SER CA C 86 56.610 56.630 -0.020 1
1 254 . 32 1 1 A 26 26 SER CB C 86 66.010 65.064 0.946 1
1 255 . 32 1 1 A 26 26 SER N N 86 118.860 118.585 0.275 1
1 256 . 32 1 1 A 27 27 LYS H H 87 8.710 8.835 -0.125 1
1 257 . 32 1 1 A 27 27 LYS HA H 87 3.850 3.767 0.083 1
1 263 . 32 1 1 A 27 27 LYS C C 87 178.490 178.767 -0.277 1
1 264 . 32 1 1 A 27 27 LYS CA C 87 59.390 59.280 0.110 1
1 265 . 32 1 1 A 27 27 LYS CB C 87 31.970 32.730 -0.760 1
1 269 . 32 1 1 A 27 27 LYS N N 87 121.790 118.816 2.974 1
1 270 . 32 1 1 A 28 28 ARG H H 88 8.010 7.756 0.254 1
1 271 . 32 1 1 A 28 28 ARG HA H 88 3.990 4.001 -0.011 1
1 277 . 32 1 1 A 28 28 ARG C C 88 178.890 178.557 0.333 1
1 278 . 32 1 1 A 28 28 ARG CA C 88 59.010 58.711 0.299 1
1 279 . 32 1 1 A 28 28 ARG CB C 88 30.120 29.822 0.298 1
1 282 . 32 1 1 A 28 28 ARG N N 88 119.520 119.731 -0.211 1
1 283 . 32 1 1 A 29 29 ILE H H 89 7.350 7.376 -0.026 1
1 284 . 32 1 1 A 29 29 ILE HA H 89 3.680 3.686 -0.006 1
1 294 . 32 1 1 A 29 29 ILE C C 89 177.620 177.846 -0.226 1
1 295 . 32 1 1 A 29 29 ILE CA C 89 63.170 65.145 -1.975 1
1 296 . 32 1 1 A 29 29 ILE CB C 89 36.900 36.595 0.305 1
1 300 . 32 1 1 A 29 29 ILE N N 89 121.980 119.884 2.096 1
1 301 . 32 1 1 A 30 30 GLN H H 90 7.990 8.014 -0.024 1
1 302 . 32 1 1 A 30 30 GLN HA H 90 3.630 3.969 -0.339 1
1 308 . 32 1 1 A 30 30 GLN C C 90 178.320 178.357 -0.037 1
1 309 . 32 1 1 A 30 30 GLN CA C 90 59.200 59.195 0.005 1
1 310 . 32 1 1 A 30 30 GLN CB C 90 28.700 28.229 0.471 1
1 312 . 32 1 1 A 30 30 GLN N N 90 121.020 120.862 0.158 1
1 314 . 32 1 1 A 31 31 LYS H H 91 7.990 8.183 -0.193 1
1 315 . 32 1 1 A 31 31 LYS HA H 91 4.090 4.053 0.037 1
1 321 . 32 1 1 A 31 31 LYS C C 91 178.650 178.768 -0.118 1
1 322 . 32 1 1 A 31 31 LYS CA C 91 58.720 59.295 -0.575 1
1 323 . 32 1 1 A 31 31 LYS CB C 91 32.220 32.355 -0.135 1
1 327 . 32 1 1 A 31 31 LYS N N 91 119.520 119.867 -0.347 1
1 328 . 32 1 1 A 32 32 SER H H 92 7.770 8.019 -0.249 1
1 329 . 32 1 1 A 32 32 SER HA H 92 4.320 4.139 0.181 1
1 332 . 32 1 1 A 32 32 SER C C 92 176.110 177.416 -1.306 1
1 333 . 32 1 1 A 32 32 SER CA C 92 61.260 61.746 -0.486 1
1 334 . 32 1 1 A 32 32 SER CB C 92 63.610 63.115 0.495 1
1 335 . 32 1 1 A 32 32 SER N N 92 116.310 113.984 2.326 1
1 336 . 32 1 1 A 33 33 ILE H H 93 7.960 7.813 0.147 1
1 337 . 32 1 1 A 33 33 ILE HA H 93 3.920 3.502 0.418 1
1 347 . 32 1 1 A 33 33 ILE C C 93 177.480 177.656 -0.176 1
1 348 . 32 1 1 A 33 33 ILE CA C 93 63.610 65.215 -1.605 1
1 349 . 32 1 1 A 33 33 ILE CB C 93 38.330 37.822 0.508 1
1 353 . 32 1 1 A 33 33 ILE N N 93 119.950 121.984 -2.034 1
1 354 . 32 1 1 A 34 34 SER H H 94 7.970 8.105 -0.135 1
1 355 . 32 1 1 A 34 34 SER HA H 94 4.390 4.069 0.321 1
1 357 . 32 1 1 A 34 34 SER C C 94 176.490 176.201 0.289 1
1 358 . 32 1 1 A 34 34 SER CA C 94 60.560 62.361 -1.801 1
1 359 . 32 1 1 A 34 34 SER CB C 94 63.130 63.289 -0.159 1
1 360 . 32 1 1 A 34 34 SER N N 94 117.230 116.047 1.183 1
1 361 . 32 1 1 A 35 35 GLN H H 95 8.220 7.807 0.413 1
1 362 . 32 1 1 A 35 35 GLN HA H 95 4.260 4.105 0.155 1
1 369 . 32 1 1 A 35 35 GLN C C 95 177.050 178.404 -1.354 1
1 370 . 32 1 1 A 35 35 GLN CA C 95 57.360 58.763 -1.403 1
1 371 . 32 1 1 A 35 35 GLN CB C 95 28.900 28.527 0.373 1
1 373 . 32 1 1 A 35 35 GLN N N 95 121.530 120.827 0.703 1
1 375 . 32 1 1 A 36 36 LYS H H 96 7.870 7.724 0.146 1
1 376 . 32 1 1 A 36 36 LYS HA H 96 4.280 4.178 0.102 1
1 383 . 32 1 1 A 36 36 LYS C C 96 176.160 176.243 -0.083 1
1 384 . 32 1 1 A 36 36 LYS CA C 96 56.570 58.067 -1.497 1
1 385 . 32 1 1 A 36 36 LYS CB C 96 33.600 32.707 0.893 1
1 389 . 32 1 1 A 36 36 LYS N N 96 118.550 116.266 2.284 1
1 390 . 32 1 1 A 37 37 LYS H H 97 8.110 8.489 -0.379 1
1 391 . 32 1 1 A 37 37 LYS HA H 97 4.110 3.866 0.244 1
1 396 . 32 1 1 A 37 37 LYS C C 97 176.210 175.143 1.067 1
1 397 . 32 1 1 A 37 37 LYS CA C 97 57.230 57.042 0.188 1
1 398 . 32 1 1 A 37 37 LYS CB C 97 30.580 30.091 0.489 1
1 402 . 32 1 1 A 37 37 LYS N N 97 117.680 116.447 1.233 1
1 403 . 32 1 1 A 38 38 VAL H H 98 7.430 7.749 -0.319 1
1 404 . 32 1 1 A 38 38 VAL HA H 98 4.350 4.929 -0.579 1
1 412 . 32 1 1 A 38 38 VAL C C 98 175.830 174.607 1.223 1
1 413 . 32 1 1 A 38 38 VAL CA C 98 60.580 58.610 1.970 1
1 414 . 32 1 1 A 38 38 VAL CB C 98 33.410 35.332 -1.922 1
1 417 . 32 1 1 A 38 38 VAL N N 98 115.860 114.216 1.644 1
1 418 . 32 1 1 A 39 39 LYS H H 99 8.960 8.335 0.625 1
1 419 . 32 1 1 A 39 39 LYS HA H 99 4.430 4.396 0.034 1
1 425 . 32 1 1 A 39 39 LYS C C 99 175.700 174.425 1.275 1
1 426 . 32 1 1 A 39 39 LYS CA C 99 55.420 56.112 -0.692 1
1 427 . 32 1 1 A 39 39 LYS CB C 99 30.580 30.633 -0.053 1
1 431 . 32 1 1 A 39 39 LYS N N 99 127.710 120.709 7.001 1
1 432 . 32 1 1 A 40 40 ILE H H 100 7.660 7.840 -0.180 1
1 433 . 32 1 1 A 40 40 ILE HA H 100 5.020 5.139 -0.119 1
1 443 . 32 1 1 A 40 40 ILE C C 100 174.520 174.875 -0.355 1
1 444 . 32 1 1 A 40 40 ILE CA C 100 59.370 60.524 -1.154 1
1 445 . 32 1 1 A 40 40 ILE CB C 100 40.650 40.298 0.352 1
1 449 . 32 1 1 A 40 40 ILE N N 100 123.140 124.221 -1.081 1
1 450 . 32 1 1 A 41 41 GLU H H 101 8.490 9.033 -0.543 1
1 451 . 32 1 1 A 41 41 GLU HA H 101 4.620 4.952 -0.332 1
1 456 . 32 1 1 A 41 41 GLU C C 101 173.590 174.573 -0.983 1
1 457 . 32 1 1 A 41 41 GLU CA C 101 53.740 54.438 -0.698 1
1 458 . 32 1 1 A 41 41 GLU CB C 101 34.580 33.518 1.062 1
1 460 . 32 1 1 A 41 41 GLU N N 101 123.460 124.497 -1.037 1
1 461 . 32 1 1 A 42 42 LEU H H 102 8.490 8.287 0.203 1
1 462 . 32 1 1 A 42 42 LEU HA H 102 3.790 4.371 -0.581 1
1 472 . 32 1 1 A 42 42 LEU C C 102 176.440 176.007 0.433 1
1 473 . 32 1 1 A 42 42 LEU CA C 102 55.190 54.574 0.616 1
1 474 . 32 1 1 A 42 42 LEU CB C 102 43.100 42.825 0.275 1
1 478 . 32 1 1 A 42 42 LEU N N 102 123.470 125.288 -1.818 1
1 479 . 32 1 1 A 43 43 ASP H H 103 8.770 8.048 0.722 1
1 480 . 32 1 1 A 43 43 ASP HA H 103 4.520 4.641 -0.121 1
1 483 . 32 1 1 A 43 43 ASP C C 103 177.600 176.908 0.692 1
1 484 . 32 1 1 A 43 43 ASP CA C 103 53.740 54.664 -0.924 1
1 485 . 32 1 1 A 43 43 ASP CB C 103 41.880 42.333 -0.453 1
1 486 . 32 1 1 A 43 43 ASP N N 103 127.210 126.178 1.032 1
1 487 . 32 1 1 A 44 44 LYS H H 104 8.910 9.131 -0.221 1
1 488 . 32 1 1 A 44 44 LYS HA H 104 3.920 4.282 -0.362 1
1 495 . 32 1 1 A 44 44 LYS C C 104 177.340 177.629 -0.289 1
1 496 . 32 1 1 A 44 44 LYS CA C 104 58.930 57.443 1.487 1
1 497 . 32 1 1 A 44 44 LYS CB C 104 32.000 32.223 -0.223 1
1 501 . 32 1 1 A 44 44 LYS N N 104 129.080 127.652 1.428 1
1 502 . 32 1 1 A 45 45 SER H H 105 8.740 7.715 1.025 1
1 503 . 32 1 1 A 45 45 SER HA H 105 4.370 4.371 -0.001 1
1 506 . 32 1 1 A 45 45 SER C C 105 175.040 174.935 0.105 1
1 507 . 32 1 1 A 45 45 SER CA C 105 59.150 58.695 0.455 1
1 508 . 32 1 1 A 45 45 SER CB C 105 63.830 63.565 0.265 1
1 509 . 32 1 1 A 45 45 SER N N 105 115.270 111.893 3.377 1
1 510 . 32 1 1 A 46 46 ALA H H 106 7.430 7.379 0.051 1
1 511 . 32 1 1 A 46 46 ALA HA H 106 4.150 4.245 -0.095 1
1 515 . 32 1 1 A 46 46 ALA CA C 106 53.300 51.858 1.442 1
1 516 . 32 1 1 A 46 46 ALA CB C 106 19.190 19.948 -0.758 1
1 517 . 32 1 1 A 46 46 ALA N N 106 125.120 125.726 -0.606 1
1 518 . 32 1 1 A 47 47 ARG HA H 107 4.280 4.444 -0.164 1
1 526 . 32 1 1 A 48 48 HIS HA H 108 4.650 4.584 0.066 1
1 531 . 32 1 1 A 48 48 HIS C C 108 173.160 175.058 -1.898 1
1 532 . 32 1 1 A 48 48 HIS CA C 108 54.990 55.857 -0.867 1
1 533 . 32 1 1 A 48 48 HIS CB C 108 33.400 31.058 2.342 1
1 538 . 32 1 1 A 49 49 LEU H H 109 8.030 8.722 -0.692 1
1 539 . 32 1 1 A 49 49 LEU HA H 109 5.040 4.574 0.466 1
1 549 . 32 1 1 A 49 49 LEU CA C 109 54.480 53.673 0.807 1
1 550 . 32 1 1 A 49 49 LEU CB C 109 43.010 42.623 0.387 1
1 554 . 32 1 1 A 49 49 LEU N N 109 120.130 120.379 -0.249 1
1 555 . 32 1 1 A 50 50 TYR HA H 110 5.020 5.267 -0.247 1
1 560 . 32 1 1 A 50 50 TYR C C 110 176.960 175.967 0.993 1
1 561 . 32 1 1 A 50 50 TYR CA C 110 60.340 56.697 3.643 1
1 562 . 32 1 1 A 50 50 TYR CB C 110 39.210 40.620 -1.410 1
1 565 . 32 1 1 A 51 51 ILE H H 111 8.510 8.852 -0.342 1
1 566 . 32 1 1 A 51 51 ILE HA H 111 5.960 4.556 1.404 1
1 576 . 32 1 1 A 51 51 ILE C C 111 177.900 176.122 1.778 1
1 577 . 32 1 1 A 51 51 ILE CA C 111 58.100 59.710 -1.610 1
1 578 . 32 1 1 A 51 51 ILE CB C 111 41.370 40.191 1.179 1
1 582 . 32 1 1 A 51 51 ILE N N 111 115.050 121.858 -6.808 1
1 583 . 32 1 1 A 52 52 CYS H H 112 9.830 8.837 0.993 1
1 584 . 32 1 1 A 52 52 CYS HA H 112 5.000 4.975 0.025 1
1 587 . 32 1 1 A 52 52 CYS C C 112 175.420 175.598 -0.178 1
1 588 . 32 1 1 A 52 52 CYS CA C 112 57.770 57.034 0.736 1
1 589 . 32 1 1 A 52 52 CYS CB C 112 33.120 30.272 2.848 1
1 590 . 32 1 1 A 52 52 CYS N N 112 125.820 121.803 4.017 1
1 591 . 32 1 1 A 53 53 ASP H H 113 9.000 8.967 0.033 1
1 592 . 32 1 1 A 53 53 ASP HA H 113 4.510 4.339 0.171 1
1 594 . 32 1 1 A 53 53 ASP C C 113 178.140 178.127 0.013 1
1 595 . 32 1 1 A 53 53 ASP CA C 113 57.330 57.408 -0.078 1
1 596 . 32 1 1 A 53 53 ASP CB C 113 39.730 40.364 -0.634 1
1 597 . 32 1 1 A 53 53 ASP N N 113 121.960 120.955 1.005 1
1 598 . 32 1 1 A 54 54 TYR H H 114 8.220 8.140 0.080 1
1 599 . 32 1 1 A 54 54 TYR HA H 114 4.100 4.210 -0.110 1
1 604 . 32 1 1 A 54 54 TYR C C 114 178.410 177.303 1.107 1
1 605 . 32 1 1 A 54 54 TYR CA C 114 61.970 61.790 0.180 1
1 606 . 32 1 1 A 54 54 TYR CB C 114 37.150 39.005 -1.855 1
1 609 . 32 1 1 A 54 54 TYR N N 114 123.510 122.194 1.316 1
1 610 . 32 1 1 A 55 55 HIS H H 115 10.090 7.809 2.281 1
1 611 . 32 1 1 A 55 55 HIS HA H 115 4.040 4.119 -0.079 1
1 616 . 32 1 1 A 55 55 HIS C C 115 177.240 177.495 -0.255 1
1 617 . 32 1 1 A 55 55 HIS CA C 115 63.870 59.419 4.451 1
1 618 . 32 1 1 A 55 55 HIS CB C 115 29.600 29.995 -0.395 1
1 621 . 32 1 1 A 55 55 HIS N N 115 124.830 116.985 7.845 1
1 624 . 32 1 1 A 56 56 LYS H H 116 8.830 8.479 0.351 1
1 625 . 32 1 1 A 56 56 LYS HA H 116 3.720 3.907 -0.187 1
1 633 . 32 1 1 A 56 56 LYS C C 116 178.140 178.721 -0.581 1
1 634 . 32 1 1 A 56 56 LYS CA C 116 60.590 60.032 0.558 1
1 635 . 32 1 1 A 56 56 LYS CB C 116 32.230 32.230 0.000 1
1 639 . 32 1 1 A 56 56 LYS N N 116 123.340 120.801 2.539 1
1 640 . 32 1 1 A 57 57 ASN H H 117 8.140 8.348 -0.208 1
1 641 . 32 1 1 A 57 57 ASN HA H 117 4.340 4.474 -0.134 1
1 646 . 32 1 1 A 57 57 ASN C C 117 177.570 177.285 0.285 1
1 647 . 32 1 1 A 57 57 ASN CA C 117 55.890 56.671 -0.781 1
1 648 . 32 1 1 A 57 57 ASN CB C 117 38.070 38.972 -0.902 1
1 649 . 32 1 1 A 57 57 ASN N N 117 116.920 118.355 -1.435 1
1 651 . 32 1 1 A 58 58 LEU H H 118 7.890 7.951 -0.061 1
1 652 . 32 1 1 A 58 58 LEU HA H 118 3.930 3.917 0.013 1
1 662 . 32 1 1 A 58 58 LEU C C 118 179.400 178.307 1.093 1
1 663 . 32 1 1 A 58 58 LEU CA C 118 58.420 58.549 -0.129 1
1 664 . 32 1 1 A 58 58 LEU CB C 118 43.170 41.372 1.798 1
1 668 . 32 1 1 A 58 58 LEU N N 118 123.590 120.179 3.411 1
1 669 . 32 1 1 A 59 59 ILE H H 119 8.360 8.177 0.183 1
1 670 . 32 1 1 A 59 59 ILE HA H 119 3.470 3.635 -0.165 1
1 680 . 32 1 1 A 59 59 ILE C C 119 177.290 178.459 -1.169 1
1 681 . 32 1 1 A 59 59 ILE CA C 119 65.260 64.405 0.855 1
1 682 . 32 1 1 A 59 59 ILE CB C 119 38.330 37.575 0.755 1
1 686 . 32 1 1 A 59 59 ILE N N 119 118.630 119.452 -0.822 1
1 687 . 32 1 1 A 60 60 GLN H H 120 7.830 8.225 -0.395 1
1 688 . 32 1 1 A 60 60 GLN HA H 120 4.130 4.055 0.075 1
1 694 . 32 1 1 A 60 60 GLN C C 120 177.240 177.644 -0.404 1
1 695 . 32 1 1 A 60 60 GLN CA C 120 57.750 59.042 -1.292 1
1 696 . 32 1 1 A 60 60 GLN CB C 120 28.910 28.850 0.060 1
1 698 . 32 1 1 A 60 60 GLN N N 120 117.840 119.999 -2.159 1
1 700 . 32 1 1 A 61 61 SER H H 121 7.790 8.227 -0.437 1
1 701 . 32 1 1 A 61 61 SER HA H 121 4.300 4.961 -0.661 1
1 703 . 32 1 1 A 61 61 SER C C 121 175.650 174.610 1.040 1
1 704 . 32 1 1 A 61 61 SER CA C 121 60.090 58.159 1.931 1
1 705 . 32 1 1 A 61 61 SER CB C 121 63.570 63.239 0.331 1
1 706 . 32 1 1 A 61 61 SER N N 121 115.460 114.116 1.344 1
1 707 . 32 1 1 A 62 62 VAL H H 122 8.020 7.702 0.318 1
1 708 . 32 1 1 A 62 62 VAL HA H 122 4.020 4.129 -0.109 1
1 716 . 32 1 1 A 62 62 VAL C C 122 176.960 177.138 -0.178 1
1 717 . 32 1 1 A 62 62 VAL CA C 122 63.600 64.307 -0.707 1
1 718 . 32 1 1 A 62 62 VAL CB C 122 32.300 32.507 -0.207 1
1 721 . 32 1 1 A 62 62 VAL N N 122 121.600 119.861 1.739 1
1 722 . 32 1 1 A 63 63 ARG H H 123 8.130 7.770 0.360 1
1 723 . 32 1 1 A 63 63 ARG HA H 123 4.190 4.497 -0.307 1
1 729 . 32 1 1 A 63 63 ARG C C 123 176.490 175.190 1.300 1
1 730 . 32 1 1 A 63 63 ARG CA C 123 57.070 55.552 1.518 1
1 731 . 32 1 1 A 63 63 ARG CB C 123 30.780 32.144 -1.364 1
1 734 . 32 1 1 A 63 63 ARG N N 123 122.770 118.152 4.618 1
1 735 . 32 1 1 A 64 64 ASN H H 124 8.210 7.765 0.445 1
1 736 . 32 1 1 A 64 64 ASN HA H 124 4.650 4.957 -0.307 1
1 741 . 32 1 1 A 64 64 ASN C C 124 175.310 174.595 0.715 1
1 742 . 32 1 1 A 64 64 ASN CA C 124 53.500 52.617 0.883 1
1 743 . 32 1 1 A 64 64 ASN CB C 124 38.840 39.461 -0.621 1
1 744 . 32 1 1 A 64 64 ASN N N 124 119.350 117.365 1.985 1
1 746 . 32 1 1 A 65 65 ARG H H 125 8.100 8.598 -0.498 1
1 747 . 32 1 1 A 65 65 ARG HA H 125 4.270 4.324 -0.054 1
1 752 . 32 1 1 A 65 65 ARG C C 125 176.310 176.836 -0.526 1
1 753 . 32 1 1 A 65 65 ARG CA C 125 56.580 57.854 -1.274 1
1 754 . 32 1 1 A 65 65 ARG CB C 125 30.810 30.608 0.202 1
1 757 . 32 1 1 A 65 65 ARG N N 125 122.230 123.948 -1.718 1
1 758 . 32 1 1 A 66 66 ARG H H 126 8.260 7.890 0.370 1
1 759 . 32 1 1 A 66 66 ARG HA H 126 4.270 4.549 -0.279 1
1 764 . 32 1 1 A 66 66 ARG C C 126 176.210 175.469 0.741 1
1 765 . 32 1 1 A 66 66 ARG CA C 126 56.190 54.891 1.299 1
1 766 . 32 1 1 A 66 66 ARG CB C 126 30.810 31.280 -0.470 1
1 769 . 32 1 1 A 66 66 ARG N N 126 122.760 117.055 5.705 1
1 770 . 32 1 1 A 67 67 LYS H H 127 8.270 8.216 0.054 1
1 771 . 32 1 1 A 67 67 LYS HA H 127 4.260 3.841 0.419 1
1 776 . 32 1 1 A 67 67 LYS C C 127 176.450 175.782 0.668 1
1 777 . 32 1 1 A 67 67 LYS CA C 127 56.320 57.253 -0.933 1
1 778 . 32 1 1 A 67 67 LYS CB C 127 33.180 31.091 2.089 1
1 782 . 32 1 1 A 67 67 LYS N N 127 123.620 115.942 7.678 1
1 783 . 32 1 1 A 68 68 ARG H H 128 8.340 8.580 -0.240 1
1 784 . 32 1 1 A 68 68 ARG HA H 128 4.270 4.057 0.213 1
1 788 . 32 1 1 A 68 68 ARG C C 128 176.250 176.292 -0.042 1
1 789 . 32 1 1 A 68 68 ARG CA C 128 56.130 58.437 -2.307 1
1 790 . 32 1 1 A 68 68 ARG CB C 128 31.060 29.453 1.607 1
1 793 . 32 1 1 A 68 68 ARG N N 128 123.750 122.246 1.504 1
1 794 . 32 1 1 A 69 69 LYS H H 129 8.450 8.472 -0.022 1
1 795 . 32 1 1 A 69 69 LYS HA H 129 4.250 4.523 -0.273 1
1 800 . 32 1 1 A 69 69 LYS C C 129 177.010 177.537 -0.527 1
1 801 . 32 1 1 A 69 69 LYS CA C 129 57.000 56.588 0.412 1
1 802 . 32 1 1 A 69 69 LYS CB C 129 32.940 34.810 -1.870 1
1 806 . 32 1 1 A 69 69 LYS N N 129 124.580 120.700 3.880 1
1 807 . 32 1 1 A 70 70 GLY H H 130 8.500 7.749 0.751 1
1 808 . 32 1 1 A 70 70 GLY HA2 H 130 3.910 4.133 -0.223 1
1 809 . 32 1 1 A 70 70 GLY HA3 H 130 4.010 4.133 -0.123 1
1 810 . 32 1 1 A 70 70 GLY C C 130 173.360 174.081 -0.721 1
1 811 . 32 1 1 A 70 70 GLY CA C 130 45.370 45.671 -0.301 1
1 812 . 32 1 1 A 70 70 GLY N N 130 112.470 105.513 6.957 1
1 6 . 33 1 1 A 2 2 ASN HA H 62 4.610 5.379 -0.769 1
1 10 . 33 1 1 A 2 2 ASN C C 62 174.760 174.177 0.583 1
1 11 . 33 1 1 A 2 2 ASN CA C 62 53.100 52.419 0.681 1
1 12 . 33 1 1 A 2 2 ASN CB C 62 38.790 40.182 -1.392 1
1 14 . 33 1 1 A 3 3 ALA H H 63 8.300 8.890 -0.590 1
1 15 . 33 1 1 A 3 3 ALA HA H 63 4.200 4.592 -0.392 1
1 19 . 33 1 1 A 3 3 ALA C C 63 178.180 176.204 1.976 1
1 20 . 33 1 1 A 3 3 ALA CA C 63 53.070 50.823 2.247 1
1 21 . 33 1 1 A 3 3 ALA CB C 63 18.960 19.034 -0.074 1
1 22 . 33 1 1 A 3 3 ALA N N 63 125.390 126.596 -1.206 1
1 23 . 33 1 1 A 4 4 GLY H H 64 8.340 7.613 0.727 1
1 24 . 33 1 1 A 4 4 GLY HA2 H 64 3.800 4.066 -0.266 1
1 25 . 33 1 1 A 4 4 GLY HA3 H 64 3.860 4.082 -0.222 1
1 26 . 33 1 1 A 4 4 GLY C C 64 174.010 173.564 0.446 1
1 27 . 33 1 1 A 4 4 GLY CA C 64 45.350 45.695 -0.345 1
1 28 . 33 1 1 A 4 4 GLY N N 64 109.300 106.534 2.766 1
1 29 . 33 1 1 A 5 5 GLN H H 65 7.950 8.023 -0.073 1
1 30 . 33 1 1 A 5 5 GLN HA H 65 4.330 4.431 -0.101 1
1 35 . 33 1 1 A 5 5 GLN C C 65 175.560 174.973 0.587 1
1 36 . 33 1 1 A 5 5 GLN CA C 65 55.400 55.961 -0.561 1
1 37 . 33 1 1 A 5 5 GLN CB C 65 29.860 30.655 -0.795 1
1 39 . 33 1 1 A 5 5 GLN N N 65 119.540 119.150 0.390 1
1 41 . 33 1 1 A 6 6 LEU H H 66 8.740 8.413 0.327 1
1 42 . 33 1 1 A 6 6 LEU HA H 66 4.610 4.977 -0.367 1
1 52 . 33 1 1 A 6 6 LEU C C 66 175.750 175.859 -0.109 1
1 53 . 33 1 1 A 6 6 LEU CA C 66 54.010 53.306 0.704 1
1 54 . 33 1 1 A 6 6 LEU CB C 66 43.490 45.529 -2.039 1
1 58 . 33 1 1 A 6 6 LEU N N 66 126.120 120.717 5.403 1
1 59 . 33 1 1 A 7 7 CYS H H 67 8.470 8.555 -0.085 1
1 60 . 33 1 1 A 7 7 CYS HA H 67 4.140 4.448 -0.308 1
1 63 . 33 1 1 A 7 7 CYS C C 67 175.320 176.157 -0.837 1
1 64 . 33 1 1 A 7 7 CYS CA C 67 60.780 59.943 0.837 1
1 65 . 33 1 1 A 7 7 CYS CB C 67 32.850 28.605 4.245 1
1 66 . 33 1 1 A 7 7 CYS N N 67 123.170 122.219 0.951 1
1 67 . 33 1 1 A 8 8 CYS H H 68 8.170 8.720 -0.550 1
1 68 . 33 1 1 A 8 8 CYS HA H 68 4.280 4.608 -0.328 1
1 72 . 33 1 1 A 8 8 CYS C C 68 172.410 174.392 -1.982 1
1 73 . 33 1 1 A 8 8 CYS CA C 68 58.920 58.707 0.213 1
1 74 . 33 1 1 A 8 8 CYS CB C 68 28.920 28.220 0.700 1
1 75 . 33 1 1 A 8 8 CYS N N 68 124.700 122.039 2.661 1
1 76 . 33 1 1 A 9 9 LEU H H 69 8.180 7.207 0.973 1
1 77 . 33 1 1 A 9 9 LEU HA H 69 4.580 4.522 0.058 1
1 87 . 33 1 1 A 9 9 LEU C C 69 176.770 176.067 0.703 1
1 88 . 33 1 1 A 9 9 LEU CA C 69 54.760 53.027 1.733 1
1 89 . 33 1 1 A 9 9 LEU CB C 69 43.150 44.825 -1.675 1
1 93 . 33 1 1 A 9 9 LEU N N 69 122.650 122.947 -0.297 1
1 94 . 33 1 1 A 10 10 ARG H H 70 8.880 8.234 0.646 1
1 95 . 33 1 1 A 10 10 ARG HA H 70 4.770 5.239 -0.469 1
1 102 . 33 1 1 A 10 10 ARG C C 70 174.900 174.214 0.686 1
1 103 . 33 1 1 A 10 10 ARG CA C 70 54.710 54.124 0.586 1
1 104 . 33 1 1 A 10 10 ARG CB C 70 33.390 32.088 1.302 1
1 107 . 33 1 1 A 10 10 ARG N N 70 117.650 120.639 -2.989 1
1 108 . 33 1 1 A 11 11 GLU H H 71 8.640 9.128 -0.488 1
1 109 . 33 1 1 A 11 11 GLU HA H 71 5.090 4.624 0.466 1
1 113 . 33 1 1 A 11 11 GLU C C 71 176.070 175.585 0.485 1
1 114 . 33 1 1 A 11 11 GLU CA C 71 54.270 55.473 -1.203 1
1 115 . 33 1 1 A 11 11 GLU CB C 71 32.460 31.456 1.004 1
1 117 . 33 1 1 A 11 11 GLU N N 71 123.910 125.851 -1.941 1
1 118 . 33 1 1 A 12 12 ASP H H 72 9.510 9.011 0.499 1
1 119 . 33 1 1 A 12 12 ASP HA H 72 4.270 4.463 -0.193 1
1 122 . 33 1 1 A 12 12 ASP C C 72 175.890 176.314 -0.424 1
1 123 . 33 1 1 A 12 12 ASP CA C 72 55.880 55.350 0.530 1
1 124 . 33 1 1 A 12 12 ASP CB C 72 39.910 39.755 0.155 1
1 125 . 33 1 1 A 12 12 ASP N N 72 129.440 128.216 1.224 1
1 126 . 33 1 1 A 13 13 GLY H H 73 8.970 8.555 0.415 1
1 127 . 33 1 1 A 13 13 GLY HA2 H 73 3.520 3.846 -0.326 1
1 128 . 33 1 1 A 13 13 GLY HA3 H 73 4.200 3.851 0.349 1
1 129 . 33 1 1 A 13 13 GLY C C 73 173.960 173.820 0.140 1
1 130 . 33 1 1 A 13 13 GLY CA C 73 45.350 45.405 -0.055 1
1 131 . 33 1 1 A 13 13 GLY N N 73 103.500 104.073 -0.573 1
1 132 . 33 1 1 A 14 14 GLU H H 74 7.660 7.940 -0.280 1
1 133 . 33 1 1 A 14 14 GLU HA H 74 4.640 4.514 0.126 1
1 138 . 33 1 1 A 14 14 GLU C C 74 176.170 176.415 -0.245 1
1 139 . 33 1 1 A 14 14 GLU CA C 74 54.460 55.396 -0.936 1
1 140 . 33 1 1 A 14 14 GLU CB C 74 32.050 31.175 0.875 1
1 142 . 33 1 1 A 14 14 GLU N N 74 121.330 120.344 0.986 1
1 143 . 33 1 1 A 15 15 ARG H H 75 9.000 8.785 0.215 1
1 144 . 33 1 1 A 15 15 ARG HA H 75 4.120 4.416 -0.296 1
1 150 . 33 1 1 A 15 15 ARG C C 75 175.230 175.957 -0.727 1
1 151 . 33 1 1 A 15 15 ARG CA C 75 56.640 55.171 1.469 1
1 152 . 33 1 1 A 15 15 ARG CB C 75 29.720 28.383 1.337 1
1 155 . 33 1 1 A 15 15 ARG N N 75 127.990 124.066 3.924 1
1 156 . 33 1 1 A 16 16 CYS H H 76 8.870 9.041 -0.171 1
1 157 . 33 1 1 A 16 16 CYS HA H 76 4.170 4.302 -0.132 1
1 160 . 33 1 1 A 16 16 CYS CA C 76 61.840 61.131 0.709 1
1 161 . 33 1 1 A 16 16 CYS CB C 76 31.150 27.890 3.260 1
1 162 . 33 1 1 A 16 16 CYS N N 76 131.840 122.113 9.727 1
1 163 . 33 1 1 A 17 17 GLY H H 77 8.530 7.911 0.619 1
1 164 . 33 1 1 A 17 17 GLY HA2 H 77 3.680 4.004 -0.324 1
1 165 . 33 1 1 A 17 17 GLY HA3 H 77 4.340 4.027 0.313 1
1 166 . 33 1 1 A 17 17 GLY C C 77 174.620 174.341 0.279 1
1 167 . 33 1 1 A 17 17 GLY CA C 77 45.110 45.148 -0.038 1
1 168 . 33 1 1 A 17 17 GLY N N 77 111.930 108.052 3.878 1
1 169 . 33 1 1 A 18 18 ARG H H 78 8.960 7.811 1.149 1
1 170 . 33 1 1 A 18 18 ARG HA H 78 4.290 4.358 -0.068 1
1 177 . 33 1 1 A 18 18 ARG C C 78 175.270 176.055 -0.785 1
1 178 . 33 1 1 A 18 18 ARG CA C 78 56.350 55.540 0.810 1
1 179 . 33 1 1 A 18 18 ARG CB C 78 31.310 31.391 -0.081 1
1 182 . 33 1 1 A 18 18 ARG N N 78 124.390 122.104 2.286 1
1 183 . 33 1 1 A 19 19 ALA H H 79 8.340 8.398 -0.058 1
1 184 . 33 1 1 A 19 19 ALA HA H 79 4.170 4.191 -0.021 1
1 188 . 33 1 1 A 19 19 ALA C C 79 177.620 177.476 0.144 1
1 189 . 33 1 1 A 19 19 ALA CA C 79 52.710 52.304 0.406 1
1 190 . 33 1 1 A 19 19 ALA CB C 79 18.710 18.977 -0.267 1
1 191 . 33 1 1 A 19 19 ALA N N 79 123.880 126.906 -3.026 1
1 192 . 33 1 1 A 20 20 ALA H H 80 8.470 8.113 0.357 1
1 193 . 33 1 1 A 20 20 ALA HA H 80 3.540 4.405 -0.865 1
1 197 . 33 1 1 A 20 20 ALA C C 80 177.560 177.548 0.012 1
1 198 . 33 1 1 A 20 20 ALA CA C 80 52.840 52.086 0.754 1
1 199 . 33 1 1 A 20 20 ALA CB C 80 19.050 19.605 -0.555 1
1 200 . 33 1 1 A 20 20 ALA N N 80 124.580 123.287 1.293 1
1 201 . 33 1 1 A 21 21 GLY H H 81 8.090 8.346 -0.256 1
1 202 . 33 1 1 A 21 21 GLY HA2 H 81 3.800 4.111 -0.311 1
1 203 . 33 1 1 A 21 21 GLY HA3 H 81 4.430 4.146 0.284 1
1 204 . 33 1 1 A 21 21 GLY C C 81 173.170 174.767 -1.597 1
1 205 . 33 1 1 A 21 21 GLY CA C 81 44.390 44.664 -0.274 1
1 206 . 33 1 1 A 21 21 GLY N N 81 114.000 107.537 6.463 1
1 207 . 33 1 1 A 22 22 ASN H H 82 8.690 8.655 0.035 1
1 208 . 33 1 1 A 22 22 ASN HA H 82 4.650 5.110 -0.460 1
1 213 . 33 1 1 A 22 22 ASN C C 82 176.260 175.418 0.842 1
1 214 . 33 1 1 A 22 22 ASN CA C 82 53.580 53.426 0.154 1
1 215 . 33 1 1 A 22 22 ASN CB C 82 39.580 41.073 -1.493 1
1 216 . 33 1 1 A 22 22 ASN N N 82 118.160 122.097 -3.937 1
1 218 . 33 1 1 A 23 23 ALA H H 83 8.720 7.695 1.025 1
1 219 . 33 1 1 A 23 23 ALA HA H 83 4.570 4.394 0.176 1
1 223 . 33 1 1 A 23 23 ALA C C 83 175.910 176.538 -0.628 1
1 224 . 33 1 1 A 23 23 ALA CA C 83 52.340 52.446 -0.106 1
1 225 . 33 1 1 A 23 23 ALA CB C 83 19.370 20.025 -0.655 1
1 226 . 33 1 1 A 23 23 ALA N N 83 125.180 121.563 3.617 1
1 227 . 33 1 1 A 24 24 SER H H 84 7.970 8.514 -0.544 1
1 228 . 33 1 1 A 24 24 SER HA H 84 5.310 5.186 0.124 1
1 230 . 33 1 1 A 24 24 SER C C 84 174.620 172.048 2.572 1
1 231 . 33 1 1 A 24 24 SER CA C 84 56.550 57.078 -0.528 1
1 232 . 33 1 1 A 24 24 SER CB C 84 66.420 66.633 -0.213 1
1 233 . 33 1 1 A 24 24 SER N N 84 112.840 115.491 -2.651 1
1 234 . 33 1 1 A 25 25 PHE H H 85 9.580 8.995 0.585 1
1 235 . 33 1 1 A 25 25 PHE HA H 85 4.320 4.916 -0.596 1
1 241 . 33 1 1 A 25 25 PHE C C 85 173.430 174.605 -1.175 1
1 242 . 33 1 1 A 25 25 PHE CA C 85 57.780 57.042 0.738 1
1 243 . 33 1 1 A 25 25 PHE CB C 85 38.780 40.276 -1.496 1
1 247 . 33 1 1 A 25 25 PHE N N 85 125.520 125.757 -0.237 1
1 248 . 33 1 1 A 26 26 SER H H 86 6.780 8.391 -1.611 1
1 249 . 33 1 1 A 26 26 SER HA H 86 4.430 4.676 -0.246 1
1 252 . 33 1 1 A 26 26 SER C C 86 174.200 174.488 -0.288 1
1 253 . 33 1 1 A 26 26 SER CA C 86 56.610 56.009 0.601 1
1 254 . 33 1 1 A 26 26 SER CB C 86 66.010 65.724 0.286 1
1 255 . 33 1 1 A 26 26 SER N N 86 118.860 118.741 0.119 1
1 256 . 33 1 1 A 27 27 LYS H H 87 8.710 8.586 0.124 1
1 257 . 33 1 1 A 27 27 LYS HA H 87 3.850 3.753 0.097 1
1 263 . 33 1 1 A 27 27 LYS C C 87 178.490 178.869 -0.379 1
1 264 . 33 1 1 A 27 27 LYS CA C 87 59.390 59.011 0.379 1
1 265 . 33 1 1 A 27 27 LYS CB C 87 31.970 32.713 -0.743 1
1 269 . 33 1 1 A 27 27 LYS N N 87 121.790 118.918 2.872 1
1 270 . 33 1 1 A 28 28 ARG H H 88 8.010 7.773 0.237 1
1 271 . 33 1 1 A 28 28 ARG HA H 88 3.990 4.013 -0.023 1
1 277 . 33 1 1 A 28 28 ARG C C 88 178.890 178.672 0.218 1
1 278 . 33 1 1 A 28 28 ARG CA C 88 59.010 58.731 0.279 1
1 279 . 33 1 1 A 28 28 ARG CB C 88 30.120 29.956 0.164 1
1 282 . 33 1 1 A 28 28 ARG N N 88 119.520 119.782 -0.262 1
1 283 . 33 1 1 A 29 29 ILE H H 89 7.350 7.916 -0.566 1
1 284 . 33 1 1 A 29 29 ILE HA H 89 3.680 3.706 -0.026 1
1 294 . 33 1 1 A 29 29 ILE C C 89 177.620 177.937 -0.317 1
1 295 . 33 1 1 A 29 29 ILE CA C 89 63.170 65.184 -2.014 1
1 296 . 33 1 1 A 29 29 ILE CB C 89 36.900 36.841 0.059 1
1 300 . 33 1 1 A 29 29 ILE N N 89 121.980 119.832 2.148 1
1 301 . 33 1 1 A 30 30 GLN H H 90 7.990 7.956 0.034 1
1 302 . 33 1 1 A 30 30 GLN HA H 90 3.630 4.045 -0.415 1
1 308 . 33 1 1 A 30 30 GLN C C 90 178.320 178.649 -0.329 1
1 309 . 33 1 1 A 30 30 GLN CA C 90 59.200 59.328 -0.128 1
1 310 . 33 1 1 A 30 30 GLN CB C 90 28.700 28.083 0.617 1
1 312 . 33 1 1 A 30 30 GLN N N 90 121.020 120.768 0.252 1
1 314 . 33 1 1 A 31 31 LYS H H 91 7.990 8.124 -0.134 1
1 315 . 33 1 1 A 31 31 LYS HA H 91 4.090 4.041 0.049 1
1 321 . 33 1 1 A 31 31 LYS C C 91 178.650 179.095 -0.445 1
1 322 . 33 1 1 A 31 31 LYS CA C 91 58.720 59.249 -0.529 1
1 323 . 33 1 1 A 31 31 LYS CB C 91 32.220 32.103 0.117 1
1 327 . 33 1 1 A 31 31 LYS N N 91 119.520 118.818 0.702 1
1 328 . 33 1 1 A 32 32 SER H H 92 7.770 7.996 -0.226 1
1 329 . 33 1 1 A 32 32 SER HA H 92 4.320 4.238 0.082 1
1 332 . 33 1 1 A 32 32 SER C C 92 176.110 177.612 -1.502 1
1 333 . 33 1 1 A 32 32 SER CA C 92 61.260 61.619 -0.359 1
1 334 . 33 1 1 A 32 32 SER CB C 92 63.610 62.662 0.948 1
1 335 . 33 1 1 A 32 32 SER N N 92 116.310 114.424 1.886 1
1 336 . 33 1 1 A 33 33 ILE H H 93 7.960 7.946 0.014 1
1 337 . 33 1 1 A 33 33 ILE HA H 93 3.920 3.598 0.322 1
1 347 . 33 1 1 A 33 33 ILE C C 93 177.480 177.949 -0.469 1
1 348 . 33 1 1 A 33 33 ILE CA C 93 63.610 65.194 -1.584 1
1 349 . 33 1 1 A 33 33 ILE CB C 93 38.330 37.367 0.963 1
1 353 . 33 1 1 A 33 33 ILE N N 93 119.950 122.401 -2.451 1
1 354 . 33 1 1 A 34 34 SER H H 94 7.970 8.392 -0.422 1
1 355 . 33 1 1 A 34 34 SER HA H 94 4.390 4.029 0.361 1
1 357 . 33 1 1 A 34 34 SER C C 94 176.490 177.420 -0.930 1
1 358 . 33 1 1 A 34 34 SER CA C 94 60.560 61.659 -1.099 1
1 359 . 33 1 1 A 34 34 SER CB C 94 63.130 62.953 0.177 1
1 360 . 33 1 1 A 34 34 SER N N 94 117.230 115.918 1.312 1
1 361 . 33 1 1 A 35 35 GLN H H 95 8.220 8.011 0.209 1
1 362 . 33 1 1 A 35 35 GLN HA H 95 4.260 4.071 0.189 1
1 369 . 33 1 1 A 35 35 GLN C C 95 177.050 178.705 -1.655 1
1 370 . 33 1 1 A 35 35 GLN CA C 95 57.360 58.964 -1.604 1
1 371 . 33 1 1 A 35 35 GLN CB C 95 28.900 28.274 0.626 1
1 373 . 33 1 1 A 35 35 GLN N N 95 121.530 120.823 0.707 1
1 375 . 33 1 1 A 36 36 LYS H H 96 7.870 7.274 0.596 1
1 376 . 33 1 1 A 36 36 LYS HA H 96 4.280 4.214 0.066 1
1 383 . 33 1 1 A 36 36 LYS C C 96 176.160 176.501 -0.341 1
1 384 . 33 1 1 A 36 36 LYS CA C 96 56.570 58.268 -1.698 1
1 385 . 33 1 1 A 36 36 LYS CB C 96 33.600 32.938 0.662 1
1 389 . 33 1 1 A 36 36 LYS N N 96 118.550 116.438 2.112 1
1 390 . 33 1 1 A 37 37 LYS H H 97 8.110 8.765 -0.655 1
1 391 . 33 1 1 A 37 37 LYS HA H 97 4.110 3.820 0.290 1
1 396 . 33 1 1 A 37 37 LYS C C 97 176.210 175.533 0.677 1
1 397 . 33 1 1 A 37 37 LYS CA C 97 57.230 57.162 0.068 1
1 398 . 33 1 1 A 37 37 LYS CB C 97 30.580 30.674 -0.094 1
1 402 . 33 1 1 A 37 37 LYS N N 97 117.680 118.429 -0.749 1
1 403 . 33 1 1 A 38 38 VAL H H 98 7.430 7.814 -0.384 1
1 404 . 33 1 1 A 38 38 VAL HA H 98 4.350 4.903 -0.553 1
1 412 . 33 1 1 A 38 38 VAL C C 98 175.830 174.606 1.224 1
1 413 . 33 1 1 A 38 38 VAL CA C 98 60.580 58.776 1.804 1
1 414 . 33 1 1 A 38 38 VAL CB C 98 33.410 35.862 -2.452 1
1 417 . 33 1 1 A 38 38 VAL N N 98 115.860 115.848 0.012 1
1 418 . 33 1 1 A 39 39 LYS H H 99 8.960 8.389 0.571 1
1 419 . 33 1 1 A 39 39 LYS HA H 99 4.430 4.512 -0.082 1
1 425 . 33 1 1 A 39 39 LYS C C 99 175.700 174.932 0.768 1
1 426 . 33 1 1 A 39 39 LYS CA C 99 55.420 55.972 -0.552 1
1 427 . 33 1 1 A 39 39 LYS CB C 99 30.580 30.947 -0.367 1
1 431 . 33 1 1 A 39 39 LYS N N 99 127.710 119.489 8.221 1
1 432 . 33 1 1 A 40 40 ILE H H 100 7.660 7.784 -0.124 1
1 433 . 33 1 1 A 40 40 ILE HA H 100 5.020 4.823 0.197 1
1 443 . 33 1 1 A 40 40 ILE C C 100 174.520 175.022 -0.502 1
1 444 . 33 1 1 A 40 40 ILE CA C 100 59.370 60.517 -1.147 1
1 445 . 33 1 1 A 40 40 ILE CB C 100 40.650 39.797 0.853 1
1 449 . 33 1 1 A 40 40 ILE N N 100 123.140 123.680 -0.540 1
1 450 . 33 1 1 A 41 41 GLU H H 101 8.490 8.985 -0.495 1
1 451 . 33 1 1 A 41 41 GLU HA H 101 4.620 4.928 -0.308 1
1 456 . 33 1 1 A 41 41 GLU C C 101 173.590 174.464 -0.874 1
1 457 . 33 1 1 A 41 41 GLU CA C 101 53.740 54.276 -0.536 1
1 458 . 33 1 1 A 41 41 GLU CB C 101 34.580 33.379 1.201 1
1 460 . 33 1 1 A 41 41 GLU N N 101 123.460 124.546 -1.086 1
1 461 . 33 1 1 A 42 42 LEU H H 102 8.490 8.313 0.177 1
1 462 . 33 1 1 A 42 42 LEU HA H 102 3.790 4.454 -0.664 1
1 472 . 33 1 1 A 42 42 LEU C C 102 176.440 175.353 1.087 1
1 473 . 33 1 1 A 42 42 LEU CA C 102 55.190 54.319 0.871 1
1 474 . 33 1 1 A 42 42 LEU CB C 102 43.100 43.546 -0.446 1
1 478 . 33 1 1 A 42 42 LEU N N 102 123.470 123.554 -0.084 1
1 479 . 33 1 1 A 43 43 ASP H H 103 8.770 8.503 0.267 1
1 480 . 33 1 1 A 43 43 ASP HA H 103 4.520 4.885 -0.365 1
1 483 . 33 1 1 A 43 43 ASP C C 103 177.600 176.876 0.724 1
1 484 . 33 1 1 A 43 43 ASP CA C 103 53.740 54.048 -0.308 1
1 485 . 33 1 1 A 43 43 ASP CB C 103 41.880 42.584 -0.704 1
1 486 . 33 1 1 A 43 43 ASP N N 103 127.210 125.570 1.640 1
1 487 . 33 1 1 A 44 44 LYS H H 104 8.910 9.156 -0.246 1
1 488 . 33 1 1 A 44 44 LYS HA H 104 3.920 4.399 -0.479 1
1 495 . 33 1 1 A 44 44 LYS C C 104 177.340 177.492 -0.152 1
1 496 . 33 1 1 A 44 44 LYS CA C 104 58.930 57.155 1.775 1
1 497 . 33 1 1 A 44 44 LYS CB C 104 32.000 32.233 -0.233 1
1 501 . 33 1 1 A 44 44 LYS N N 104 129.080 126.340 2.740 1
1 502 . 33 1 1 A 45 45 SER H H 105 8.740 7.761 0.979 1
1 503 . 33 1 1 A 45 45 SER HA H 105 4.370 4.419 -0.049 1
1 506 . 33 1 1 A 45 45 SER C C 105 175.040 175.028 0.012 1
1 507 . 33 1 1 A 45 45 SER CA C 105 59.150 60.985 -1.835 1
1 508 . 33 1 1 A 45 45 SER CB C 105 63.830 63.718 0.112 1
1 509 . 33 1 1 A 45 45 SER N N 105 115.270 113.292 1.978 1
1 510 . 33 1 1 A 46 46 ALA H H 106 7.430 7.476 -0.046 1
1 511 . 33 1 1 A 46 46 ALA HA H 106 4.150 4.058 0.092 1
1 515 . 33 1 1 A 46 46 ALA CA C 106 53.300 53.246 0.054 1
1 516 . 33 1 1 A 46 46 ALA CB C 106 19.190 19.093 0.097 1
1 517 . 33 1 1 A 46 46 ALA N N 106 125.120 122.420 2.700 1
1 518 . 33 1 1 A 47 47 ARG HA H 107 4.280 4.267 0.013 1
1 526 . 33 1 1 A 48 48 HIS HA H 108 4.650 4.604 0.046 1
1 531 . 33 1 1 A 48 48 HIS C C 108 173.160 174.687 -1.527 1
1 532 . 33 1 1 A 48 48 HIS CA C 108 54.990 55.353 -0.363 1
1 533 . 33 1 1 A 48 48 HIS CB C 108 33.400 31.274 2.126 1
1 538 . 33 1 1 A 49 49 LEU H H 109 8.030 8.754 -0.724 1
1 539 . 33 1 1 A 49 49 LEU HA H 109 5.040 4.718 0.322 1
1 549 . 33 1 1 A 49 49 LEU CA C 109 54.480 53.990 0.490 1
1 550 . 33 1 1 A 49 49 LEU CB C 109 43.010 42.722 0.288 1
1 554 . 33 1 1 A 49 49 LEU N N 109 120.130 121.603 -1.473 1
1 555 . 33 1 1 A 50 50 TYR HA H 110 5.020 5.316 -0.296 1
1 560 . 33 1 1 A 50 50 TYR C C 110 176.960 175.564 1.396 1
1 561 . 33 1 1 A 50 50 TYR CA C 110 60.340 56.960 3.380 1
1 562 . 33 1 1 A 50 50 TYR CB C 110 39.210 41.727 -2.517 1
1 565 . 33 1 1 A 51 51 ILE H H 111 8.510 8.497 0.013 1
1 566 . 33 1 1 A 51 51 ILE HA H 111 5.960 4.948 1.012 1
1 576 . 33 1 1 A 51 51 ILE C C 111 177.900 176.160 1.740 1
1 577 . 33 1 1 A 51 51 ILE CA C 111 58.100 59.683 -1.583 1
1 578 . 33 1 1 A 51 51 ILE CB C 111 41.370 40.234 1.136 1
1 582 . 33 1 1 A 51 51 ILE N N 111 115.050 119.992 -4.942 1
1 583 . 33 1 1 A 52 52 CYS H H 112 9.830 8.744 1.086 1
1 584 . 33 1 1 A 52 52 CYS HA H 112 5.000 4.806 0.194 1
1 587 . 33 1 1 A 52 52 CYS C C 112 175.420 175.702 -0.282 1
1 588 . 33 1 1 A 52 52 CYS CA C 112 57.770 57.819 -0.049 1
1 589 . 33 1 1 A 52 52 CYS CB C 112 33.120 29.711 3.409 1
1 590 . 33 1 1 A 52 52 CYS N N 112 125.820 122.109 3.711 1
1 591 . 33 1 1 A 53 53 ASP H H 113 9.000 8.870 0.130 1
1 592 . 33 1 1 A 53 53 ASP HA H 113 4.510 4.377 0.133 1
1 594 . 33 1 1 A 53 53 ASP C C 113 178.140 178.077 0.063 1
1 595 . 33 1 1 A 53 53 ASP CA C 113 57.330 57.092 0.238 1
1 596 . 33 1 1 A 53 53 ASP CB C 113 39.730 40.428 -0.698 1
1 597 . 33 1 1 A 53 53 ASP N N 113 121.960 120.235 1.725 1
1 598 . 33 1 1 A 54 54 TYR H H 114 8.220 7.946 0.274 1
1 599 . 33 1 1 A 54 54 TYR HA H 114 4.100 4.230 -0.130 1
1 604 . 33 1 1 A 54 54 TYR C C 114 178.410 177.173 1.237 1
1 605 . 33 1 1 A 54 54 TYR CA C 114 61.970 61.666 0.304 1
1 606 . 33 1 1 A 54 54 TYR CB C 114 37.150 39.114 -1.964 1
1 609 . 33 1 1 A 54 54 TYR N N 114 123.510 123.168 0.342 1
1 610 . 33 1 1 A 55 55 HIS H H 115 10.090 7.777 2.313 1
1 611 . 33 1 1 A 55 55 HIS HA H 115 4.040 4.285 -0.245 1
1 616 . 33 1 1 A 55 55 HIS C C 115 177.240 177.545 -0.305 1
1 617 . 33 1 1 A 55 55 HIS CA C 115 63.870 60.009 3.861 1
1 618 . 33 1 1 A 55 55 HIS CB C 115 29.600 29.533 0.067 1
1 621 . 33 1 1 A 55 55 HIS N N 115 124.830 117.035 7.795 1
1 624 . 33 1 1 A 56 56 LYS H H 116 8.830 8.140 0.690 1
1 625 . 33 1 1 A 56 56 LYS HA H 116 3.720 3.889 -0.169 1
1 633 . 33 1 1 A 56 56 LYS C C 116 178.140 178.883 -0.743 1
1 634 . 33 1 1 A 56 56 LYS CA C 116 60.590 60.019 0.571 1
1 635 . 33 1 1 A 56 56 LYS CB C 116 32.230 32.467 -0.237 1
1 639 . 33 1 1 A 56 56 LYS N N 116 123.340 120.708 2.632 1
1 640 . 33 1 1 A 57 57 ASN H H 117 8.140 8.139 0.001 1
1 641 . 33 1 1 A 57 57 ASN HA H 117 4.340 4.493 -0.153 1
1 646 . 33 1 1 A 57 57 ASN C C 117 177.570 177.477 0.093 1
1 647 . 33 1 1 A 57 57 ASN CA C 117 55.890 56.222 -0.332 1
1 648 . 33 1 1 A 57 57 ASN CB C 117 38.070 38.858 -0.788 1
1 649 . 33 1 1 A 57 57 ASN N N 117 116.920 118.351 -1.431 1
1 651 . 33 1 1 A 58 58 LEU H H 118 7.890 7.708 0.182 1
1 652 . 33 1 1 A 58 58 LEU HA H 118 3.930 3.919 0.011 1
1 662 . 33 1 1 A 58 58 LEU C C 118 179.400 178.446 0.954 1
1 663 . 33 1 1 A 58 58 LEU CA C 118 58.420 58.380 0.040 1
1 664 . 33 1 1 A 58 58 LEU CB C 118 43.170 41.679 1.491 1
1 668 . 33 1 1 A 58 58 LEU N N 118 123.590 120.101 3.489 1
1 669 . 33 1 1 A 59 59 ILE H H 119 8.360 8.328 0.032 1
1 670 . 33 1 1 A 59 59 ILE HA H 119 3.470 3.661 -0.191 1
1 680 . 33 1 1 A 59 59 ILE C C 119 177.290 177.796 -0.506 1
1 681 . 33 1 1 A 59 59 ILE CA C 119 65.260 64.473 0.787 1
1 682 . 33 1 1 A 59 59 ILE CB C 119 38.330 37.510 0.820 1
1 686 . 33 1 1 A 59 59 ILE N N 119 118.630 119.424 -0.794 1
1 687 . 33 1 1 A 60 60 GLN H H 120 7.830 8.402 -0.572 1
1 688 . 33 1 1 A 60 60 GLN HA H 120 4.130 4.006 0.124 1
1 694 . 33 1 1 A 60 60 GLN C C 120 177.240 177.846 -0.606 1
1 695 . 33 1 1 A 60 60 GLN CA C 120 57.750 59.178 -1.428 1
1 696 . 33 1 1 A 60 60 GLN CB C 120 28.910 28.209 0.701 1
1 698 . 33 1 1 A 60 60 GLN N N 120 117.840 119.813 -1.973 1
1 700 . 33 1 1 A 61 61 SER H H 121 7.790 7.818 -0.028 1
1 701 . 33 1 1 A 61 61 SER HA H 121 4.300 4.387 -0.087 1
1 703 . 33 1 1 A 61 61 SER C C 121 175.650 174.770 0.880 1
1 704 . 33 1 1 A 61 61 SER CA C 121 60.090 59.411 0.679 1
1 705 . 33 1 1 A 61 61 SER CB C 121 63.570 62.593 0.977 1
1 706 . 33 1 1 A 61 61 SER N N 121 115.460 114.654 0.806 1
1 707 . 33 1 1 A 62 62 VAL H H 122 8.020 7.426 0.594 1
1 708 . 33 1 1 A 62 62 VAL HA H 122 4.020 4.039 -0.019 1
1 716 . 33 1 1 A 62 62 VAL C C 122 176.960 176.503 0.457 1
1 717 . 33 1 1 A 62 62 VAL CA C 122 63.600 64.016 -0.416 1
1 718 . 33 1 1 A 62 62 VAL CB C 122 32.300 32.837 -0.537 1
1 721 . 33 1 1 A 62 62 VAL N N 122 121.600 119.270 2.330 1
1 722 . 33 1 1 A 63 63 ARG H H 123 8.130 7.431 0.699 1
1 723 . 33 1 1 A 63 63 ARG HA H 123 4.190 4.488 -0.298 1
1 729 . 33 1 1 A 63 63 ARG C C 123 176.490 174.725 1.765 1
1 730 . 33 1 1 A 63 63 ARG CA C 123 57.070 54.987 2.083 1
1 731 . 33 1 1 A 63 63 ARG CB C 123 30.780 30.497 0.283 1
1 734 . 33 1 1 A 63 63 ARG N N 123 122.770 118.813 3.957 1
1 735 . 33 1 1 A 64 64 ASN H H 124 8.210 7.730 0.480 1
1 736 . 33 1 1 A 64 64 ASN HA H 124 4.650 4.920 -0.270 1
1 741 . 33 1 1 A 64 64 ASN C C 124 175.310 173.252 2.058 1
1 742 . 33 1 1 A 64 64 ASN CA C 124 53.500 53.160 0.340 1
1 743 . 33 1 1 A 64 64 ASN CB C 124 38.840 38.944 -0.104 1
1 744 . 33 1 1 A 64 64 ASN N N 124 119.350 118.771 0.579 1
1 746 . 33 1 1 A 65 65 ARG H H 125 8.100 8.716 -0.616 1
1 747 . 33 1 1 A 65 65 ARG HA H 125 4.270 4.709 -0.439 1
1 752 . 33 1 1 A 65 65 ARG C C 125 176.310 175.661 0.649 1
1 753 . 33 1 1 A 65 65 ARG CA C 125 56.580 54.664 1.916 1
1 754 . 33 1 1 A 65 65 ARG CB C 125 30.810 32.728 -1.918 1
1 757 . 33 1 1 A 65 65 ARG N N 125 122.230 126.510 -4.280 1
1 758 . 33 1 1 A 66 66 ARG H H 126 8.260 8.842 -0.582 1
1 759 . 33 1 1 A 66 66 ARG HA H 126 4.270 4.526 -0.256 1
1 764 . 33 1 1 A 66 66 ARG C C 126 176.210 175.802 0.408 1
1 765 . 33 1 1 A 66 66 ARG CA C 126 56.190 56.824 -0.634 1
1 766 . 33 1 1 A 66 66 ARG CB C 126 30.810 32.071 -1.261 1
1 769 . 33 1 1 A 66 66 ARG N N 126 122.760 123.376 -0.616 1
1 770 . 33 1 1 A 67 67 LYS H H 127 8.270 7.984 0.286 1
1 771 . 33 1 1 A 67 67 LYS HA H 127 4.260 4.412 -0.152 1
1 776 . 33 1 1 A 67 67 LYS C C 127 176.450 175.482 0.968 1
1 777 . 33 1 1 A 67 67 LYS CA C 127 56.320 56.776 -0.456 1
1 778 . 33 1 1 A 67 67 LYS CB C 127 33.180 32.130 1.050 1
1 782 . 33 1 1 A 67 67 LYS N N 127 123.620 118.887 4.733 1
1 783 . 33 1 1 A 68 68 ARG H H 128 8.340 8.942 -0.602 1
1 784 . 33 1 1 A 68 68 ARG HA H 128 4.270 4.054 0.216 1
1 788 . 33 1 1 A 68 68 ARG C C 128 176.250 175.648 0.602 1
1 789 . 33 1 1 A 68 68 ARG CA C 128 56.130 58.267 -2.137 1
1 790 . 33 1 1 A 68 68 ARG CB C 128 31.060 29.046 2.014 1
1 793 . 33 1 1 A 68 68 ARG N N 128 123.750 121.697 2.053 1
1 794 . 33 1 1 A 69 69 LYS H H 129 8.450 8.847 -0.397 1
1 795 . 33 1 1 A 69 69 LYS HA H 129 4.250 4.604 -0.354 1
1 800 . 33 1 1 A 69 69 LYS C C 129 177.010 176.617 0.393 1
1 801 . 33 1 1 A 69 69 LYS CA C 129 57.000 57.235 -0.235 1
1 802 . 33 1 1 A 69 69 LYS CB C 129 32.940 34.556 -1.616 1
1 806 . 33 1 1 A 69 69 LYS N N 129 124.580 120.895 3.685 1
1 807 . 33 1 1 A 70 70 GLY H H 130 8.500 7.530 0.970 1
1 808 . 33 1 1 A 70 70 GLY HA2 H 130 3.910 4.103 -0.193 1
1 809 . 33 1 1 A 70 70 GLY HA3 H 130 4.010 4.103 -0.093 1
1 810 . 33 1 1 A 70 70 GLY C C 130 173.360 173.271 0.089 1
1 811 . 33 1 1 A 70 70 GLY CA C 130 45.370 45.400 -0.030 1
1 812 . 33 1 1 A 70 70 GLY N N 130 112.470 104.290 8.180 1
1 6 . 34 1 1 A 2 2 ASN HA H 62 4.610 5.049 -0.439 1
1 10 . 34 1 1 A 2 2 ASN C C 62 174.760 174.424 0.336 1
1 11 . 34 1 1 A 2 2 ASN CA C 62 53.100 52.214 0.886 1
1 12 . 34 1 1 A 2 2 ASN CB C 62 38.790 39.513 -0.723 1
1 14 . 34 1 1 A 3 3 ALA H H 63 8.300 8.485 -0.185 1
1 15 . 34 1 1 A 3 3 ALA HA H 63 4.200 4.550 -0.350 1
1 19 . 34 1 1 A 3 3 ALA C C 63 178.180 177.150 1.030 1
1 20 . 34 1 1 A 3 3 ALA CA C 63 53.070 51.327 1.743 1
1 21 . 34 1 1 A 3 3 ALA CB C 63 18.960 20.627 -1.667 1
1 22 . 34 1 1 A 3 3 ALA N N 63 125.390 125.133 0.257 1
1 23 . 34 1 1 A 4 4 GLY H H 64 8.340 7.875 0.465 1
1 24 . 34 1 1 A 4 4 GLY HA2 H 64 3.800 4.109 -0.309 1
1 25 . 34 1 1 A 4 4 GLY HA3 H 64 3.860 4.111 -0.251 1
1 26 . 34 1 1 A 4 4 GLY C C 64 174.010 172.927 1.083 1
1 27 . 34 1 1 A 4 4 GLY CA C 64 45.350 46.007 -0.657 1
1 28 . 34 1 1 A 4 4 GLY N N 64 109.300 105.725 3.575 1
1 29 . 34 1 1 A 5 5 GLN H H 65 7.950 8.269 -0.319 1
1 30 . 34 1 1 A 5 5 GLN HA H 65 4.330 4.799 -0.469 1
1 35 . 34 1 1 A 5 5 GLN C C 65 175.560 175.069 0.491 1
1 36 . 34 1 1 A 5 5 GLN CA C 65 55.400 55.017 0.383 1
1 37 . 34 1 1 A 5 5 GLN CB C 65 29.860 30.874 -1.014 1
1 39 . 34 1 1 A 5 5 GLN N N 65 119.540 119.695 -0.155 1
1 41 . 34 1 1 A 6 6 LEU H H 66 8.740 8.680 0.060 1
1 42 . 34 1 1 A 6 6 LEU HA H 66 4.610 4.879 -0.269 1
1 52 . 34 1 1 A 6 6 LEU C C 66 175.750 175.570 0.180 1
1 53 . 34 1 1 A 6 6 LEU CA C 66 54.010 53.258 0.752 1
1 54 . 34 1 1 A 6 6 LEU CB C 66 43.490 46.022 -2.532 1
1 58 . 34 1 1 A 6 6 LEU N N 66 126.120 120.907 5.213 1
1 59 . 34 1 1 A 7 7 CYS H H 67 8.470 9.052 -0.582 1
1 60 . 34 1 1 A 7 7 CYS HA H 67 4.140 4.422 -0.282 1
1 63 . 34 1 1 A 7 7 CYS C C 67 175.320 175.745 -0.425 1
1 64 . 34 1 1 A 7 7 CYS CA C 67 60.780 59.707 1.073 1
1 65 . 34 1 1 A 7 7 CYS CB C 67 32.850 28.257 4.593 1
1 66 . 34 1 1 A 7 7 CYS N N 67 123.170 123.733 -0.563 1
1 67 . 34 1 1 A 8 8 CYS H H 68 8.170 8.809 -0.639 1
1 68 . 34 1 1 A 8 8 CYS HA H 68 4.280 4.802 -0.522 1
1 72 . 34 1 1 A 8 8 CYS C C 68 172.410 173.167 -0.757 1
1 73 . 34 1 1 A 8 8 CYS CA C 68 58.920 58.523 0.397 1
1 74 . 34 1 1 A 8 8 CYS CB C 68 28.920 28.398 0.522 1
1 75 . 34 1 1 A 8 8 CYS N N 68 124.700 123.283 1.417 1
1 76 . 34 1 1 A 9 9 LEU H H 69 8.180 7.199 0.981 1
1 77 . 34 1 1 A 9 9 LEU HA H 69 4.580 4.722 -0.142 1
1 87 . 34 1 1 A 9 9 LEU C C 69 176.770 175.911 0.859 1
1 88 . 34 1 1 A 9 9 LEU CA C 69 54.760 53.162 1.598 1
1 89 . 34 1 1 A 9 9 LEU CB C 69 43.150 45.512 -2.362 1
1 93 . 34 1 1 A 9 9 LEU N N 69 122.650 122.903 -0.253 1
1 94 . 34 1 1 A 10 10 ARG H H 70 8.880 8.781 0.099 1
1 95 . 34 1 1 A 10 10 ARG HA H 70 4.770 5.499 -0.729 1
1 102 . 34 1 1 A 10 10 ARG C C 70 174.900 174.315 0.585 1
1 103 . 34 1 1 A 10 10 ARG CA C 70 54.710 54.075 0.635 1
1 104 . 34 1 1 A 10 10 ARG CB C 70 33.390 32.196 1.194 1
1 107 . 34 1 1 A 10 10 ARG N N 70 117.650 120.649 -2.999 1
1 108 . 34 1 1 A 11 11 GLU H H 71 8.640 9.246 -0.606 1
1 109 . 34 1 1 A 11 11 GLU HA H 71 5.090 4.654 0.436 1
1 113 . 34 1 1 A 11 11 GLU C C 71 176.070 175.271 0.799 1
1 114 . 34 1 1 A 11 11 GLU CA C 71 54.270 54.977 -0.707 1
1 115 . 34 1 1 A 11 11 GLU CB C 71 32.460 30.763 1.697 1
1 117 . 34 1 1 A 11 11 GLU N N 71 123.910 125.451 -1.541 1
1 118 . 34 1 1 A 12 12 ASP H H 72 9.510 9.253 0.257 1
1 119 . 34 1 1 A 12 12 ASP HA H 72 4.270 4.444 -0.174 1
1 122 . 34 1 1 A 12 12 ASP C C 72 175.890 176.330 -0.440 1
1 123 . 34 1 1 A 12 12 ASP CA C 72 55.880 55.398 0.482 1
1 124 . 34 1 1 A 12 12 ASP CB C 72 39.910 39.598 0.312 1
1 125 . 34 1 1 A 12 12 ASP N N 72 129.440 128.052 1.388 1
1 126 . 34 1 1 A 13 13 GLY H H 73 8.970 8.350 0.620 1
1 127 . 34 1 1 A 13 13 GLY HA2 H 73 3.520 3.840 -0.320 1
1 128 . 34 1 1 A 13 13 GLY HA3 H 73 4.200 3.843 0.357 1
1 129 . 34 1 1 A 13 13 GLY C C 73 173.960 173.890 0.070 1
1 130 . 34 1 1 A 13 13 GLY CA C 73 45.350 45.317 0.033 1
1 131 . 34 1 1 A 13 13 GLY N N 73 103.500 103.746 -0.246 1
1 132 . 34 1 1 A 14 14 GLU H H 74 7.660 7.542 0.118 1
1 133 . 34 1 1 A 14 14 GLU HA H 74 4.640 4.403 0.237 1
1 138 . 34 1 1 A 14 14 GLU C C 74 176.170 175.974 0.196 1
1 139 . 34 1 1 A 14 14 GLU CA C 74 54.460 55.935 -1.475 1
1 140 . 34 1 1 A 14 14 GLU CB C 74 32.050 30.424 1.626 1
1 142 . 34 1 1 A 14 14 GLU N N 74 121.330 120.907 0.423 1
1 143 . 34 1 1 A 15 15 ARG H H 75 9.000 8.719 0.281 1
1 144 . 34 1 1 A 15 15 ARG HA H 75 4.120 4.438 -0.318 1
1 150 . 34 1 1 A 15 15 ARG C C 75 175.230 175.995 -0.765 1
1 151 . 34 1 1 A 15 15 ARG CA C 75 56.640 54.969 1.671 1
1 152 . 34 1 1 A 15 15 ARG CB C 75 29.720 28.656 1.064 1
1 155 . 34 1 1 A 15 15 ARG N N 75 127.990 125.506 2.484 1
1 156 . 34 1 1 A 16 16 CYS H H 76 8.870 8.734 0.136 1
1 157 . 34 1 1 A 16 16 CYS HA H 76 4.170 4.295 -0.125 1
1 160 . 34 1 1 A 16 16 CYS CA C 76 61.840 61.056 0.784 1
1 161 . 34 1 1 A 16 16 CYS CB C 76 31.150 28.021 3.129 1
1 162 . 34 1 1 A 16 16 CYS N N 76 131.840 123.808 8.032 1
1 163 . 34 1 1 A 17 17 GLY H H 77 8.530 7.760 0.770 1
1 164 . 34 1 1 A 17 17 GLY HA2 H 77 3.680 3.966 -0.286 1
1 165 . 34 1 1 A 17 17 GLY HA3 H 77 4.340 3.986 0.354 1
1 166 . 34 1 1 A 17 17 GLY C C 77 174.620 174.317 0.303 1
1 167 . 34 1 1 A 17 17 GLY CA C 77 45.110 45.092 0.018 1
1 168 . 34 1 1 A 17 17 GLY N N 77 111.930 108.431 3.499 1
1 169 . 34 1 1 A 18 18 ARG H H 78 8.960 7.876 1.084 1
1 170 . 34 1 1 A 18 18 ARG HA H 78 4.290 4.354 -0.064 1
1 177 . 34 1 1 A 18 18 ARG C C 78 175.270 175.888 -0.618 1
1 178 . 34 1 1 A 18 18 ARG CA C 78 56.350 55.651 0.699 1
1 179 . 34 1 1 A 18 18 ARG CB C 78 31.310 31.339 -0.029 1
1 182 . 34 1 1 A 18 18 ARG N N 78 124.390 122.269 2.121 1
1 183 . 34 1 1 A 19 19 ALA H H 79 8.340 8.336 0.004 1
1 184 . 34 1 1 A 19 19 ALA HA H 79 4.170 4.399 -0.229 1
1 188 . 34 1 1 A 19 19 ALA C C 79 177.620 177.509 0.111 1
1 189 . 34 1 1 A 19 19 ALA CA C 79 52.710 52.266 0.444 1
1 190 . 34 1 1 A 19 19 ALA CB C 79 18.710 19.050 -0.340 1
1 191 . 34 1 1 A 19 19 ALA N N 79 123.880 126.949 -3.069 1
1 192 . 34 1 1 A 20 20 ALA H H 80 8.470 8.391 0.079 1
1 193 . 34 1 1 A 20 20 ALA HA H 80 3.540 4.586 -1.046 1
1 197 . 34 1 1 A 20 20 ALA C C 80 177.560 177.864 -0.304 1
1 198 . 34 1 1 A 20 20 ALA CA C 80 52.840 51.935 0.905 1
1 199 . 34 1 1 A 20 20 ALA CB C 80 19.050 19.786 -0.736 1
1 200 . 34 1 1 A 20 20 ALA N N 80 124.580 122.883 1.697 1
1 201 . 34 1 1 A 21 21 GLY H H 81 8.090 8.705 -0.615 1
1 202 . 34 1 1 A 21 21 GLY HA2 H 81 3.800 4.146 -0.346 1
1 203 . 34 1 1 A 21 21 GLY HA3 H 81 4.430 4.175 0.255 1
1 204 . 34 1 1 A 21 21 GLY C C 81 173.170 174.802 -1.632 1
1 205 . 34 1 1 A 21 21 GLY CA C 81 44.390 44.521 -0.131 1
1 206 . 34 1 1 A 21 21 GLY N N 81 114.000 107.683 6.317 1
1 207 . 34 1 1 A 22 22 ASN H H 82 8.690 8.382 0.308 1
1 208 . 34 1 1 A 22 22 ASN HA H 82 4.650 4.864 -0.214 1
1 213 . 34 1 1 A 22 22 ASN C C 82 176.260 175.222 1.038 1
1 214 . 34 1 1 A 22 22 ASN CA C 82 53.580 53.296 0.284 1
1 215 . 34 1 1 A 22 22 ASN CB C 82 39.580 39.676 -0.096 1
1 216 . 34 1 1 A 22 22 ASN N N 82 118.160 119.222 -1.062 1
1 218 . 34 1 1 A 23 23 ALA H H 83 8.720 7.625 1.095 1
1 219 . 34 1 1 A 23 23 ALA HA H 83 4.570 4.389 0.181 1
1 223 . 34 1 1 A 23 23 ALA C C 83 175.910 176.627 -0.717 1
1 224 . 34 1 1 A 23 23 ALA CA C 83 52.340 52.201 0.139 1
1 225 . 34 1 1 A 23 23 ALA CB C 83 19.370 20.347 -0.977 1
1 226 . 34 1 1 A 23 23 ALA N N 83 125.180 122.619 2.561 1
1 227 . 34 1 1 A 24 24 SER H H 84 7.970 8.784 -0.814 1
1 228 . 34 1 1 A 24 24 SER HA H 84 5.310 5.025 0.285 1
1 230 . 34 1 1 A 24 24 SER C C 84 174.620 172.772 1.848 1
1 231 . 34 1 1 A 24 24 SER CA C 84 56.550 56.602 -0.052 1
1 232 . 34 1 1 A 24 24 SER CB C 84 66.420 65.776 0.644 1
1 233 . 34 1 1 A 24 24 SER N N 84 112.840 111.658 1.182 1
1 234 . 34 1 1 A 25 25 PHE H H 85 9.580 8.845 0.735 1
1 235 . 34 1 1 A 25 25 PHE HA H 85 4.320 4.580 -0.260 1
1 241 . 34 1 1 A 25 25 PHE C C 85 173.430 175.027 -1.597 1
1 242 . 34 1 1 A 25 25 PHE CA C 85 57.780 59.771 -1.991 1
1 243 . 34 1 1 A 25 25 PHE CB C 85 38.780 39.694 -0.914 1
1 247 . 34 1 1 A 25 25 PHE N N 85 125.520 125.765 -0.245 1
1 248 . 34 1 1 A 26 26 SER H H 86 6.780 8.184 -1.404 1
1 249 . 34 1 1 A 26 26 SER HA H 86 4.430 4.875 -0.445 1
1 252 . 34 1 1 A 26 26 SER C C 86 174.200 174.752 -0.552 1
1 253 . 34 1 1 A 26 26 SER CA C 86 56.610 56.046 0.564 1
1 254 . 34 1 1 A 26 26 SER CB C 86 66.010 66.208 -0.198 1
1 255 . 34 1 1 A 26 26 SER N N 86 118.860 118.710 0.150 1
1 256 . 34 1 1 A 27 27 LYS H H 87 8.710 8.617 0.093 1
1 257 . 34 1 1 A 27 27 LYS HA H 87 3.850 3.738 0.112 1
1 263 . 34 1 1 A 27 27 LYS C C 87 178.490 178.931 -0.441 1
1 264 . 34 1 1 A 27 27 LYS CA C 87 59.390 59.164 0.226 1
1 265 . 34 1 1 A 27 27 LYS CB C 87 31.970 32.568 -0.598 1
1 269 . 34 1 1 A 27 27 LYS N N 87 121.790 118.955 2.835 1
1 270 . 34 1 1 A 28 28 ARG H H 88 8.010 7.750 0.260 1
1 271 . 34 1 1 A 28 28 ARG HA H 88 3.990 4.010 -0.020 1
1 277 . 34 1 1 A 28 28 ARG C C 88 178.890 178.580 0.310 1
1 278 . 34 1 1 A 28 28 ARG CA C 88 59.010 58.638 0.372 1
1 279 . 34 1 1 A 28 28 ARG CB C 88 30.120 29.808 0.312 1
1 282 . 34 1 1 A 28 28 ARG N N 88 119.520 119.716 -0.196 1
1 283 . 34 1 1 A 29 29 ILE H H 89 7.350 7.502 -0.152 1
1 284 . 34 1 1 A 29 29 ILE HA H 89 3.680 3.651 0.029 1
1 294 . 34 1 1 A 29 29 ILE C C 89 177.620 177.801 -0.181 1
1 295 . 34 1 1 A 29 29 ILE CA C 89 63.170 65.220 -2.050 1
1 296 . 34 1 1 A 29 29 ILE CB C 89 36.900 36.919 -0.019 1
1 300 . 34 1 1 A 29 29 ILE N N 89 121.980 119.678 2.302 1
1 301 . 34 1 1 A 30 30 GLN H H 90 7.990 7.537 0.453 1
1 302 . 34 1 1 A 30 30 GLN HA H 90 3.630 3.986 -0.356 1
1 308 . 34 1 1 A 30 30 GLN C C 90 178.320 178.325 -0.005 1
1 309 . 34 1 1 A 30 30 GLN CA C 90 59.200 59.252 -0.052 1
1 310 . 34 1 1 A 30 30 GLN CB C 90 28.700 28.121 0.579 1
1 312 . 34 1 1 A 30 30 GLN N N 90 121.020 120.631 0.389 1
1 314 . 34 1 1 A 31 31 LYS H H 91 7.990 8.306 -0.316 1
1 315 . 34 1 1 A 31 31 LYS HA H 91 4.090 4.041 0.049 1
1 321 . 34 1 1 A 31 31 LYS C C 91 178.650 178.814 -0.164 1
1 322 . 34 1 1 A 31 31 LYS CA C 91 58.720 59.116 -0.396 1
1 323 . 34 1 1 A 31 31 LYS CB C 91 32.220 31.971 0.249 1
1 327 . 34 1 1 A 31 31 LYS N N 91 119.520 118.516 1.004 1
1 328 . 34 1 1 A 32 32 SER H H 92 7.770 7.833 -0.063 1
1 329 . 34 1 1 A 32 32 SER HA H 92 4.320 4.172 0.148 1
1 332 . 34 1 1 A 32 32 SER C C 92 176.110 177.355 -1.245 1
1 333 . 34 1 1 A 32 32 SER CA C 92 61.260 61.677 -0.417 1
1 334 . 34 1 1 A 32 32 SER CB C 92 63.610 63.197 0.413 1
1 335 . 34 1 1 A 32 32 SER N N 92 116.310 114.584 1.726 1
1 336 . 34 1 1 A 33 33 ILE H H 93 7.960 7.909 0.051 1
1 337 . 34 1 1 A 33 33 ILE HA H 93 3.920 3.703 0.217 1
1 347 . 34 1 1 A 33 33 ILE C C 93 177.480 177.778 -0.298 1
1 348 . 34 1 1 A 33 33 ILE CA C 93 63.610 65.223 -1.613 1
1 349 . 34 1 1 A 33 33 ILE CB C 93 38.330 37.413 0.917 1
1 353 . 34 1 1 A 33 33 ILE N N 93 119.950 121.502 -1.552 1
1 354 . 34 1 1 A 34 34 SER H H 94 7.970 8.167 -0.197 1
1 355 . 34 1 1 A 34 34 SER HA H 94 4.390 4.068 0.322 1
1 357 . 34 1 1 A 34 34 SER C C 94 176.490 176.248 0.242 1
1 358 . 34 1 1 A 34 34 SER CA C 94 60.560 62.297 -1.737 1
1 359 . 34 1 1 A 34 34 SER CB C 94 63.130 63.249 -0.119 1
1 360 . 34 1 1 A 34 34 SER N N 94 117.230 116.068 1.162 1
1 361 . 34 1 1 A 35 35 GLN H H 95 8.220 7.905 0.315 1
1 362 . 34 1 1 A 35 35 GLN HA H 95 4.260 4.163 0.097 1
1 369 . 34 1 1 A 35 35 GLN C C 95 177.050 178.024 -0.974 1
1 370 . 34 1 1 A 35 35 GLN CA C 95 57.360 58.073 -0.713 1
1 371 . 34 1 1 A 35 35 GLN CB C 95 28.900 28.560 0.340 1
1 373 . 34 1 1 A 35 35 GLN N N 95 121.530 120.660 0.870 1
1 375 . 34 1 1 A 36 36 LYS H H 96 7.870 7.798 0.072 1
1 376 . 34 1 1 A 36 36 LYS HA H 96 4.280 4.238 0.042 1
1 383 . 34 1 1 A 36 36 LYS C C 96 176.160 176.645 -0.485 1
1 384 . 34 1 1 A 36 36 LYS CA C 96 56.570 57.847 -1.277 1
1 385 . 34 1 1 A 36 36 LYS CB C 96 33.600 33.159 0.441 1
1 389 . 34 1 1 A 36 36 LYS N N 96 118.550 118.122 0.428 1
1 390 . 34 1 1 A 37 37 LYS H H 97 8.110 8.589 -0.479 1
1 391 . 34 1 1 A 37 37 LYS HA H 97 4.110 3.797 0.313 1
1 396 . 34 1 1 A 37 37 LYS C C 97 176.210 175.449 0.761 1
1 397 . 34 1 1 A 37 37 LYS CA C 97 57.230 57.260 -0.030 1
1 398 . 34 1 1 A 37 37 LYS CB C 97 30.580 30.608 -0.028 1
1 402 . 34 1 1 A 37 37 LYS N N 97 117.680 118.432 -0.752 1
1 403 . 34 1 1 A 38 38 VAL H H 98 7.430 7.762 -0.332 1
1 404 . 34 1 1 A 38 38 VAL HA H 98 4.350 4.871 -0.521 1
1 412 . 34 1 1 A 38 38 VAL C C 98 175.830 174.764 1.066 1
1 413 . 34 1 1 A 38 38 VAL CA C 98 60.580 58.646 1.934 1
1 414 . 34 1 1 A 38 38 VAL CB C 98 33.410 36.001 -2.591 1
1 417 . 34 1 1 A 38 38 VAL N N 98 115.860 114.526 1.334 1
1 418 . 34 1 1 A 39 39 LYS H H 99 8.960 8.354 0.606 1
1 419 . 34 1 1 A 39 39 LYS HA H 99 4.430 4.459 -0.029 1
1 425 . 34 1 1 A 39 39 LYS C C 99 175.700 174.397 1.303 1
1 426 . 34 1 1 A 39 39 LYS CA C 99 55.420 56.035 -0.615 1
1 427 . 34 1 1 A 39 39 LYS CB C 99 30.580 30.601 -0.021 1
1 431 . 34 1 1 A 39 39 LYS N N 99 127.710 119.898 7.812 1
1 432 . 34 1 1 A 40 40 ILE H H 100 7.660 7.656 0.004 1
1 433 . 34 1 1 A 40 40 ILE HA H 100 5.020 5.207 -0.187 1
1 443 . 34 1 1 A 40 40 ILE C C 100 174.520 174.908 -0.388 1
1 444 . 34 1 1 A 40 40 ILE CA C 100 59.370 60.437 -1.067 1
1 445 . 34 1 1 A 40 40 ILE CB C 100 40.650 40.483 0.167 1
1 449 . 34 1 1 A 40 40 ILE N N 100 123.140 124.395 -1.255 1
1 450 . 34 1 1 A 41 41 GLU H H 101 8.490 9.079 -0.589 1
1 451 . 34 1 1 A 41 41 GLU HA H 101 4.620 4.967 -0.347 1
1 456 . 34 1 1 A 41 41 GLU C C 101 173.590 174.561 -0.971 1
1 457 . 34 1 1 A 41 41 GLU CA C 101 53.740 54.368 -0.628 1
1 458 . 34 1 1 A 41 41 GLU CB C 101 34.580 33.424 1.156 1
1 460 . 34 1 1 A 41 41 GLU N N 101 123.460 124.627 -1.167 1
1 461 . 34 1 1 A 42 42 LEU H H 102 8.490 8.249 0.241 1
1 462 . 34 1 1 A 42 42 LEU HA H 102 3.790 4.364 -0.574 1
1 472 . 34 1 1 A 42 42 LEU C C 102 176.440 175.798 0.642 1
1 473 . 34 1 1 A 42 42 LEU CA C 102 55.190 54.735 0.455 1
1 474 . 34 1 1 A 42 42 LEU CB C 102 43.100 42.855 0.245 1
1 478 . 34 1 1 A 42 42 LEU N N 102 123.470 124.672 -1.202 1
1 479 . 34 1 1 A 43 43 ASP H H 103 8.770 8.428 0.342 1
1 480 . 34 1 1 A 43 43 ASP HA H 103 4.520 4.661 -0.141 1
1 483 . 34 1 1 A 43 43 ASP C C 103 177.600 176.551 1.049 1
1 484 . 34 1 1 A 43 43 ASP CA C 103 53.740 53.554 0.186 1
1 485 . 34 1 1 A 43 43 ASP CB C 103 41.880 40.798 1.082 1
1 486 . 34 1 1 A 43 43 ASP N N 103 127.210 126.775 0.435 1
1 487 . 34 1 1 A 44 44 LYS H H 104 8.910 8.778 0.132 1
1 488 . 34 1 1 A 44 44 LYS HA H 104 3.920 4.192 -0.272 1
1 495 . 34 1 1 A 44 44 LYS C C 104 177.340 177.586 -0.246 1
1 496 . 34 1 1 A 44 44 LYS CA C 104 58.930 57.816 1.114 1
1 497 . 34 1 1 A 44 44 LYS CB C 104 32.000 32.134 -0.134 1
1 501 . 34 1 1 A 44 44 LYS N N 104 129.080 126.547 2.533 1
1 502 . 34 1 1 A 45 45 SER H H 105 8.740 7.675 1.065 1
1 503 . 34 1 1 A 45 45 SER HA H 105 4.370 4.389 -0.019 1
1 506 . 34 1 1 A 45 45 SER C C 105 175.040 174.927 0.113 1
1 507 . 34 1 1 A 45 45 SER CA C 105 59.150 58.438 0.712 1
1 508 . 34 1 1 A 45 45 SER CB C 105 63.830 63.661 0.169 1
1 509 . 34 1 1 A 45 45 SER N N 105 115.270 112.272 2.998 1
1 510 . 34 1 1 A 46 46 ALA H H 106 7.430 7.048 0.382 1
1 511 . 34 1 1 A 46 46 ALA HA H 106 4.150 4.230 -0.080 1
1 515 . 34 1 1 A 46 46 ALA CA C 106 53.300 51.415 1.885 1
1 516 . 34 1 1 A 46 46 ALA CB C 106 19.190 19.839 -0.649 1
1 517 . 34 1 1 A 46 46 ALA N N 106 125.120 125.767 -0.647 1
1 518 . 34 1 1 A 47 47 ARG HA H 107 4.280 4.504 -0.224 1
1 526 . 34 1 1 A 48 48 HIS HA H 108 4.650 4.966 -0.316 1
1 531 . 34 1 1 A 48 48 HIS C C 108 173.160 172.423 0.737 1
1 532 . 34 1 1 A 48 48 HIS CA C 108 54.990 54.741 0.249 1
1 533 . 34 1 1 A 48 48 HIS CB C 108 33.400 31.671 1.729 1
1 538 . 34 1 1 A 49 49 LEU H H 109 8.030 8.649 -0.619 1
1 539 . 34 1 1 A 49 49 LEU HA H 109 5.040 4.743 0.297 1
1 549 . 34 1 1 A 49 49 LEU CA C 109 54.480 54.007 0.473 1
1 550 . 34 1 1 A 49 49 LEU CB C 109 43.010 42.743 0.267 1
1 554 . 34 1 1 A 49 49 LEU N N 109 120.130 119.649 0.481 1
1 555 . 34 1 1 A 50 50 TYR HA H 110 5.020 5.062 -0.042 1
1 560 . 34 1 1 A 50 50 TYR C C 110 176.960 175.557 1.403 1
1 561 . 34 1 1 A 50 50 TYR CA C 110 60.340 56.782 3.558 1
1 562 . 34 1 1 A 50 50 TYR CB C 110 39.210 41.554 -2.344 1
1 565 . 34 1 1 A 51 51 ILE H H 111 8.510 8.791 -0.281 1
1 566 . 34 1 1 A 51 51 ILE HA H 111 5.960 4.994 0.966 1
1 576 . 34 1 1 A 51 51 ILE C C 111 177.900 176.265 1.635 1
1 577 . 34 1 1 A 51 51 ILE CA C 111 58.100 59.101 -1.001 1
1 578 . 34 1 1 A 51 51 ILE CB C 111 41.370 40.580 0.790 1
1 582 . 34 1 1 A 51 51 ILE N N 111 115.050 119.182 -4.132 1
1 583 . 34 1 1 A 52 52 CYS H H 112 9.830 8.809 1.021 1
1 584 . 34 1 1 A 52 52 CYS HA H 112 5.000 4.874 0.126 1
1 587 . 34 1 1 A 52 52 CYS C C 112 175.420 175.850 -0.430 1
1 588 . 34 1 1 A 52 52 CYS CA C 112 57.770 57.353 0.417 1
1 589 . 34 1 1 A 52 52 CYS CB C 112 33.120 29.919 3.201 1
1 590 . 34 1 1 A 52 52 CYS N N 112 125.820 121.820 4.000 1
1 591 . 34 1 1 A 53 53 ASP H H 113 9.000 8.850 0.150 1
1 592 . 34 1 1 A 53 53 ASP HA H 113 4.510 4.362 0.148 1
1 594 . 34 1 1 A 53 53 ASP C C 113 178.140 178.053 0.087 1
1 595 . 34 1 1 A 53 53 ASP CA C 113 57.330 57.116 0.214 1
1 596 . 34 1 1 A 53 53 ASP CB C 113 39.730 40.557 -0.827 1
1 597 . 34 1 1 A 53 53 ASP N N 113 121.960 120.449 1.511 1
1 598 . 34 1 1 A 54 54 TYR H H 114 8.220 7.940 0.280 1
1 599 . 34 1 1 A 54 54 TYR HA H 114 4.100 4.218 -0.118 1
1 604 . 34 1 1 A 54 54 TYR C C 114 178.410 177.071 1.339 1
1 605 . 34 1 1 A 54 54 TYR CA C 114 61.970 61.663 0.307 1
1 606 . 34 1 1 A 54 54 TYR CB C 114 37.150 39.240 -2.090 1
1 609 . 34 1 1 A 54 54 TYR N N 114 123.510 123.010 0.500 1
1 610 . 34 1 1 A 55 55 HIS H H 115 10.090 7.921 2.169 1
1 611 . 34 1 1 A 55 55 HIS HA H 115 4.040 4.348 -0.308 1
1 616 . 34 1 1 A 55 55 HIS C C 115 177.240 177.622 -0.382 1
1 617 . 34 1 1 A 55 55 HIS CA C 115 63.870 59.422 4.448 1
1 618 . 34 1 1 A 55 55 HIS CB C 115 29.600 29.824 -0.224 1
1 621 . 34 1 1 A 55 55 HIS N N 115 124.830 116.911 7.919 1
1 624 . 34 1 1 A 56 56 LYS H H 116 8.830 8.106 0.724 1
1 625 . 34 1 1 A 56 56 LYS HA H 116 3.720 3.910 -0.190 1
1 633 . 34 1 1 A 56 56 LYS C C 116 178.140 178.731 -0.591 1
1 634 . 34 1 1 A 56 56 LYS CA C 116 60.590 60.003 0.587 1
1 635 . 34 1 1 A 56 56 LYS CB C 116 32.230 32.085 0.145 1
1 639 . 34 1 1 A 56 56 LYS N N 116 123.340 121.002 2.338 1
1 640 . 34 1 1 A 57 57 ASN H H 117 8.140 8.182 -0.042 1
1 641 . 34 1 1 A 57 57 ASN HA H 117 4.340 4.499 -0.159 1
1 646 . 34 1 1 A 57 57 ASN C C 117 177.570 177.461 0.109 1
1 647 . 34 1 1 A 57 57 ASN CA C 117 55.890 55.585 0.305 1
1 648 . 34 1 1 A 57 57 ASN CB C 117 38.070 38.825 -0.755 1
1 649 . 34 1 1 A 57 57 ASN N N 117 116.920 118.304 -1.384 1
1 651 . 34 1 1 A 58 58 LEU H H 118 7.890 7.705 0.185 1
1 652 . 34 1 1 A 58 58 LEU HA H 118 3.930 4.009 -0.079 1
1 662 . 34 1 1 A 58 58 LEU C C 118 179.400 178.646 0.754 1
1 663 . 34 1 1 A 58 58 LEU CA C 118 58.420 57.668 0.752 1
1 664 . 34 1 1 A 58 58 LEU CB C 118 43.170 41.815 1.355 1
1 668 . 34 1 1 A 58 58 LEU N N 118 123.590 120.025 3.565 1
1 669 . 34 1 1 A 59 59 ILE H H 119 8.360 8.175 0.185 1
1 670 . 34 1 1 A 59 59 ILE HA H 119 3.470 3.811 -0.341 1
1 680 . 34 1 1 A 59 59 ILE C C 119 177.290 178.103 -0.813 1
1 681 . 34 1 1 A 59 59 ILE CA C 119 65.260 64.209 1.051 1
1 682 . 34 1 1 A 59 59 ILE CB C 119 38.330 37.718 0.612 1
1 686 . 34 1 1 A 59 59 ILE N N 119 118.630 119.675 -1.045 1
1 687 . 34 1 1 A 60 60 GLN H H 120 7.830 8.191 -0.361 1
1 688 . 34 1 1 A 60 60 GLN HA H 120 4.130 3.990 0.140 1
1 694 . 34 1 1 A 60 60 GLN C C 120 177.240 177.530 -0.290 1
1 695 . 34 1 1 A 60 60 GLN CA C 120 57.750 59.085 -1.335 1
1 696 . 34 1 1 A 60 60 GLN CB C 120 28.910 28.074 0.836 1
1 698 . 34 1 1 A 60 60 GLN N N 120 117.840 120.583 -2.743 1
1 700 . 34 1 1 A 61 61 SER H H 121 7.790 8.010 -0.220 1
1 701 . 34 1 1 A 61 61 SER HA H 121 4.300 4.760 -0.460 1
1 703 . 34 1 1 A 61 61 SER C C 121 175.650 174.517 1.133 1
1 704 . 34 1 1 A 61 61 SER CA C 121 60.090 57.978 2.112 1
1 705 . 34 1 1 A 61 61 SER CB C 121 63.570 63.177 0.393 1
1 706 . 34 1 1 A 61 61 SER N N 121 115.460 112.823 2.637 1
1 707 . 34 1 1 A 62 62 VAL H H 122 8.020 7.716 0.304 1
1 708 . 34 1 1 A 62 62 VAL HA H 122 4.020 4.081 -0.061 1
1 716 . 34 1 1 A 62 62 VAL C C 122 176.960 176.107 0.853 1
1 717 . 34 1 1 A 62 62 VAL CA C 122 63.600 63.655 -0.055 1
1 718 . 34 1 1 A 62 62 VAL CB C 122 32.300 33.221 -0.921 1
1 721 . 34 1 1 A 62 62 VAL N N 122 121.600 119.608 1.992 1
1 722 . 34 1 1 A 63 63 ARG H H 123 8.130 7.838 0.292 1
1 723 . 34 1 1 A 63 63 ARG HA H 123 4.190 4.591 -0.401 1
1 729 . 34 1 1 A 63 63 ARG C C 123 176.490 174.610 1.880 1
1 730 . 34 1 1 A 63 63 ARG CA C 123 57.070 54.984 2.086 1
1 731 . 34 1 1 A 63 63 ARG CB C 123 30.780 31.018 -0.238 1
1 734 . 34 1 1 A 63 63 ARG N N 123 122.770 120.016 2.754 1
1 735 . 34 1 1 A 64 64 ASN H H 124 8.210 8.459 -0.249 1
1 736 . 34 1 1 A 64 64 ASN HA H 124 4.650 5.456 -0.806 1
1 741 . 34 1 1 A 64 64 ASN C C 124 175.310 174.669 0.641 1
1 742 . 34 1 1 A 64 64 ASN CA C 124 53.500 51.728 1.772 1
1 743 . 34 1 1 A 64 64 ASN CB C 124 38.840 40.303 -1.463 1
1 744 . 34 1 1 A 64 64 ASN N N 124 119.350 119.992 -0.642 1
1 746 . 34 1 1 A 65 65 ARG H H 125 8.100 8.894 -0.794 1
1 747 . 34 1 1 A 65 65 ARG HA H 125 4.270 4.655 -0.385 1
1 752 . 34 1 1 A 65 65 ARG C C 125 176.310 176.305 0.005 1
1 753 . 34 1 1 A 65 65 ARG CA C 125 56.580 56.758 -0.178 1
1 754 . 34 1 1 A 65 65 ARG CB C 125 30.810 32.569 -1.759 1
1 757 . 34 1 1 A 65 65 ARG N N 125 122.230 122.492 -0.262 1
1 758 . 34 1 1 A 66 66 ARG H H 126 8.260 7.865 0.395 1
1 759 . 34 1 1 A 66 66 ARG HA H 126 4.270 4.586 -0.316 1
1 764 . 34 1 1 A 66 66 ARG C C 126 176.210 176.086 0.124 1
1 765 . 34 1 1 A 66 66 ARG CA C 126 56.190 57.209 -1.019 1
1 766 . 34 1 1 A 66 66 ARG CB C 126 30.810 32.879 -2.069 1
1 769 . 34 1 1 A 66 66 ARG N N 126 122.760 118.038 4.722 1
1 770 . 34 1 1 A 67 67 LYS H H 127 8.270 8.056 0.214 1
1 771 . 34 1 1 A 67 67 LYS HA H 127 4.260 3.963 0.297 1
1 776 . 34 1 1 A 67 67 LYS C C 127 176.450 176.420 0.030 1
1 777 . 34 1 1 A 67 67 LYS CA C 127 56.320 57.151 -0.831 1
1 778 . 34 1 1 A 67 67 LYS CB C 127 33.180 30.870 2.310 1
1 782 . 34 1 1 A 67 67 LYS N N 127 123.620 119.313 4.307 1
1 783 . 34 1 1 A 68 68 ARG H H 128 8.340 7.947 0.393 1
1 784 . 34 1 1 A 68 68 ARG HA H 128 4.270 4.524 -0.254 1
1 788 . 34 1 1 A 68 68 ARG C C 128 176.250 175.893 0.357 1
1 789 . 34 1 1 A 68 68 ARG CA C 128 56.130 55.094 1.036 1
1 790 . 34 1 1 A 68 68 ARG CB C 128 31.060 31.849 -0.789 1
1 793 . 34 1 1 A 68 68 ARG N N 128 123.750 122.726 1.024 1
1 794 . 34 1 1 A 69 69 LYS H H 129 8.450 8.008 0.442 1
1 795 . 34 1 1 A 69 69 LYS HA H 129 4.250 4.208 0.042 1
1 800 . 34 1 1 A 69 69 LYS C C 129 177.010 175.524 1.486 1
1 801 . 34 1 1 A 69 69 LYS CA C 129 57.000 58.461 -1.461 1
1 802 . 34 1 1 A 69 69 LYS CB C 129 32.940 31.386 1.554 1
1 806 . 34 1 1 A 69 69 LYS N N 129 124.580 119.074 5.506 1
1 807 . 34 1 1 A 70 70 GLY H H 130 8.500 8.391 0.109 1
1 808 . 34 1 1 A 70 70 GLY HA2 H 130 3.910 4.047 -0.137 1
1 809 . 34 1 1 A 70 70 GLY HA3 H 130 4.010 4.047 -0.037 1
1 810 . 34 1 1 A 70 70 GLY C C 130 173.360 174.375 -1.015 1
1 811 . 34 1 1 A 70 70 GLY CA C 130 45.370 45.645 -0.275 1
1 812 . 34 1 1 A 70 70 GLY N N 130 112.470 109.338 3.132 1
1 6 . 35 1 1 A 2 2 ASN HA H 62 4.610 5.296 -0.686 1
1 10 . 35 1 1 A 2 2 ASN C C 62 174.760 174.474 0.286 1
1 11 . 35 1 1 A 2 2 ASN CA C 62 53.100 52.297 0.803 1
1 12 . 35 1 1 A 2 2 ASN CB C 62 38.790 39.358 -0.568 1
1 14 . 35 1 1 A 3 3 ALA H H 63 8.300 8.347 -0.047 1
1 15 . 35 1 1 A 3 3 ALA HA H 63 4.200 4.458 -0.258 1
1 19 . 35 1 1 A 3 3 ALA C C 63 178.180 176.725 1.455 1
1 20 . 35 1 1 A 3 3 ALA CA C 63 53.070 51.378 1.692 1
1 21 . 35 1 1 A 3 3 ALA CB C 63 18.960 19.848 -0.888 1
1 22 . 35 1 1 A 3 3 ALA N N 63 125.390 124.984 0.406 1
1 23 . 35 1 1 A 4 4 GLY H H 64 8.340 7.469 0.871 1
1 24 . 35 1 1 A 4 4 GLY HA2 H 64 3.800 4.058 -0.258 1
1 25 . 35 1 1 A 4 4 GLY HA3 H 64 3.860 4.068 -0.208 1
1 26 . 35 1 1 A 4 4 GLY C C 64 174.010 172.543 1.467 1
1 27 . 35 1 1 A 4 4 GLY CA C 64 45.350 45.364 -0.014 1
1 28 . 35 1 1 A 4 4 GLY N N 64 109.300 106.231 3.069 1
1 29 . 35 1 1 A 5 5 GLN H H 65 7.950 8.696 -0.746 1
1 30 . 35 1 1 A 5 5 GLN HA H 65 4.330 4.841 -0.511 1
1 35 . 35 1 1 A 5 5 GLN C C 65 175.560 175.068 0.492 1
1 36 . 35 1 1 A 5 5 GLN CA C 65 55.400 54.816 0.584 1
1 37 . 35 1 1 A 5 5 GLN CB C 65 29.860 30.658 -0.798 1
1 39 . 35 1 1 A 5 5 GLN N N 65 119.540 124.569 -5.029 1
1 41 . 35 1 1 A 6 6 LEU H H 66 8.740 8.800 -0.060 1
1 42 . 35 1 1 A 6 6 LEU HA H 66 4.610 5.071 -0.461 1
1 52 . 35 1 1 A 6 6 LEU C C 66 175.750 176.027 -0.277 1
1 53 . 35 1 1 A 6 6 LEU CA C 66 54.010 53.314 0.696 1
1 54 . 35 1 1 A 6 6 LEU CB C 66 43.490 45.518 -2.028 1
1 58 . 35 1 1 A 6 6 LEU N N 66 126.120 121.657 4.463 1
1 59 . 35 1 1 A 7 7 CYS H H 67 8.470 8.958 -0.488 1
1 60 . 35 1 1 A 7 7 CYS HA H 67 4.140 4.409 -0.269 1
1 63 . 35 1 1 A 7 7 CYS C C 67 175.320 175.565 -0.245 1
1 64 . 35 1 1 A 7 7 CYS CA C 67 60.780 59.652 1.128 1
1 65 . 35 1 1 A 7 7 CYS CB C 67 32.850 28.581 4.269 1
1 66 . 35 1 1 A 7 7 CYS N N 67 123.170 123.475 -0.305 1
1 67 . 35 1 1 A 8 8 CYS H H 68 8.170 8.644 -0.474 1
1 68 . 35 1 1 A 8 8 CYS HA H 68 4.280 4.781 -0.501 1
1 72 . 35 1 1 A 8 8 CYS C C 68 172.410 172.981 -0.571 1
1 73 . 35 1 1 A 8 8 CYS CA C 68 58.920 58.336 0.584 1
1 74 . 35 1 1 A 8 8 CYS CB C 68 28.920 28.471 0.449 1
1 75 . 35 1 1 A 8 8 CYS N N 68 124.700 122.804 1.896 1
1 76 . 35 1 1 A 9 9 LEU H H 69 8.180 7.184 0.996 1
1 77 . 35 1 1 A 9 9 LEU HA H 69 4.580 4.733 -0.153 1
1 87 . 35 1 1 A 9 9 LEU C C 69 176.770 175.962 0.808 1
1 88 . 35 1 1 A 9 9 LEU CA C 69 54.760 53.401 1.359 1
1 89 . 35 1 1 A 9 9 LEU CB C 69 43.150 45.890 -2.740 1
1 93 . 35 1 1 A 9 9 LEU N N 69 122.650 122.196 0.454 1
1 94 . 35 1 1 A 10 10 ARG H H 70 8.880 8.644 0.236 1
1 95 . 35 1 1 A 10 10 ARG HA H 70 4.770 5.508 -0.738 1
1 102 . 35 1 1 A 10 10 ARG C C 70 174.900 174.189 0.711 1
1 103 . 35 1 1 A 10 10 ARG CA C 70 54.710 54.118 0.592 1
1 104 . 35 1 1 A 10 10 ARG CB C 70 33.390 32.253 1.137 1
1 107 . 35 1 1 A 10 10 ARG N N 70 117.650 120.580 -2.930 1
1 108 . 35 1 1 A 11 11 GLU H H 71 8.640 9.137 -0.497 1
1 109 . 35 1 1 A 11 11 GLU HA H 71 5.090 4.611 0.479 1
1 113 . 35 1 1 A 11 11 GLU C C 71 176.070 175.505 0.565 1
1 114 . 35 1 1 A 11 11 GLU CA C 71 54.270 55.304 -1.034 1
1 115 . 35 1 1 A 11 11 GLU CB C 71 32.460 31.008 1.452 1
1 117 . 35 1 1 A 11 11 GLU N N 71 123.910 125.488 -1.578 1
1 118 . 35 1 1 A 12 12 ASP H H 72 9.510 9.103 0.407 1
1 119 . 35 1 1 A 12 12 ASP HA H 72 4.270 4.382 -0.112 1
1 122 . 35 1 1 A 12 12 ASP C C 72 175.890 176.136 -0.246 1
1 123 . 35 1 1 A 12 12 ASP CA C 72 55.880 55.338 0.542 1
1 124 . 35 1 1 A 12 12 ASP CB C 72 39.910 39.465 0.445 1
1 125 . 35 1 1 A 12 12 ASP N N 72 129.440 128.252 1.188 1
1 126 . 35 1 1 A 13 13 GLY H H 73 8.970 8.323 0.647 1
1 127 . 35 1 1 A 13 13 GLY HA2 H 73 3.520 3.879 -0.359 1
1 128 . 35 1 1 A 13 13 GLY HA3 H 73 4.200 3.884 0.316 1
1 129 . 35 1 1 A 13 13 GLY C C 73 173.960 174.048 -0.088 1
1 130 . 35 1 1 A 13 13 GLY CA C 73 45.350 45.115 0.235 1
1 131 . 35 1 1 A 13 13 GLY N N 73 103.500 104.831 -1.331 1
1 132 . 35 1 1 A 14 14 GLU H H 74 7.660 8.006 -0.346 1
1 133 . 35 1 1 A 14 14 GLU HA H 74 4.640 4.450 0.190 1
1 138 . 35 1 1 A 14 14 GLU C C 74 176.170 176.058 0.112 1
1 139 . 35 1 1 A 14 14 GLU CA C 74 54.460 55.480 -1.020 1
1 140 . 35 1 1 A 14 14 GLU CB C 74 32.050 30.592 1.458 1
1 142 . 35 1 1 A 14 14 GLU N N 74 121.330 120.543 0.787 1
1 143 . 35 1 1 A 15 15 ARG H H 75 9.000 8.889 0.111 1
1 144 . 35 1 1 A 15 15 ARG HA H 75 4.120 4.608 -0.488 1
1 150 . 35 1 1 A 15 15 ARG C C 75 175.230 175.899 -0.669 1
1 151 . 35 1 1 A 15 15 ARG CA C 75 56.640 55.132 1.508 1
1 152 . 35 1 1 A 15 15 ARG CB C 75 29.720 28.304 1.416 1
1 155 . 35 1 1 A 15 15 ARG N N 75 127.990 125.554 2.436 1
1 156 . 35 1 1 A 16 16 CYS H H 76 8.870 8.832 0.038 1
1 157 . 35 1 1 A 16 16 CYS HA H 76 4.170 4.367 -0.197 1
1 160 . 35 1 1 A 16 16 CYS CA C 76 61.840 61.485 0.355 1
1 161 . 35 1 1 A 16 16 CYS CB C 76 31.150 28.136 3.014 1
1 162 . 35 1 1 A 16 16 CYS N N 76 131.840 119.810 12.030 1
1 163 . 35 1 1 A 17 17 GLY H H 77 8.530 8.000 0.530 1
1 164 . 35 1 1 A 17 17 GLY HA2 H 77 3.680 3.984 -0.304 1
1 165 . 35 1 1 A 17 17 GLY HA3 H 77 4.340 3.995 0.345 1
1 166 . 35 1 1 A 17 17 GLY C C 77 174.620 174.345 0.275 1
1 167 . 35 1 1 A 17 17 GLY CA C 77 45.110 45.105 0.005 1
1 168 . 35 1 1 A 17 17 GLY N N 77 111.930 108.478 3.452 1
1 169 . 35 1 1 A 18 18 ARG H H 78 8.960 7.943 1.017 1
1 170 . 35 1 1 A 18 18 ARG HA H 78 4.290 4.347 -0.057 1
1 177 . 35 1 1 A 18 18 ARG C C 78 175.270 175.940 -0.670 1
1 178 . 35 1 1 A 18 18 ARG CA C 78 56.350 55.816 0.534 1
1 179 . 35 1 1 A 18 18 ARG CB C 78 31.310 31.424 -0.114 1
1 182 . 35 1 1 A 18 18 ARG N N 78 124.390 122.310 2.080 1
1 183 . 35 1 1 A 19 19 ALA H H 79 8.340 8.349 -0.009 1
1 184 . 35 1 1 A 19 19 ALA HA H 79 4.170 4.319 -0.149 1
1 188 . 35 1 1 A 19 19 ALA C C 79 177.620 177.440 0.180 1
1 189 . 35 1 1 A 19 19 ALA CA C 79 52.710 52.583 0.127 1
1 190 . 35 1 1 A 19 19 ALA CB C 79 18.710 19.049 -0.339 1
1 191 . 35 1 1 A 19 19 ALA N N 79 123.880 126.899 -3.019 1
1 192 . 35 1 1 A 20 20 ALA H H 80 8.470 8.552 -0.082 1
1 193 . 35 1 1 A 20 20 ALA HA H 80 3.540 4.512 -0.972 1
1 197 . 35 1 1 A 20 20 ALA C C 80 177.560 177.835 -0.275 1
1 198 . 35 1 1 A 20 20 ALA CA C 80 52.840 52.025 0.815 1
1 199 . 35 1 1 A 20 20 ALA CB C 80 19.050 19.678 -0.628 1
1 200 . 35 1 1 A 20 20 ALA N N 80 124.580 123.361 1.219 1
1 201 . 35 1 1 A 21 21 GLY H H 81 8.090 8.175 -0.085 1
1 202 . 35 1 1 A 21 21 GLY HA2 H 81 3.800 4.131 -0.331 1
1 203 . 35 1 1 A 21 21 GLY HA3 H 81 4.430 4.159 0.271 1
1 204 . 35 1 1 A 21 21 GLY C C 81 173.170 174.396 -1.226 1
1 205 . 35 1 1 A 21 21 GLY CA C 81 44.390 44.541 -0.151 1
1 206 . 35 1 1 A 21 21 GLY N N 81 114.000 107.853 6.147 1
1 207 . 35 1 1 A 22 22 ASN H H 82 8.690 8.660 0.030 1
1 208 . 35 1 1 A 22 22 ASN HA H 82 4.650 5.003 -0.353 1
1 213 . 35 1 1 A 22 22 ASN C C 82 176.260 174.834 1.426 1
1 214 . 35 1 1 A 22 22 ASN CA C 82 53.580 52.706 0.874 1
1 215 . 35 1 1 A 22 22 ASN CB C 82 39.580 39.074 0.506 1
1 216 . 35 1 1 A 22 22 ASN N N 82 118.160 121.962 -3.802 1
1 218 . 35 1 1 A 23 23 ALA H H 83 8.720 7.474 1.246 1
1 219 . 35 1 1 A 23 23 ALA HA H 83 4.570 4.928 -0.358 1
1 223 . 35 1 1 A 23 23 ALA C C 83 175.910 176.492 -0.582 1
1 224 . 35 1 1 A 23 23 ALA CA C 83 52.340 50.372 1.968 1
1 225 . 35 1 1 A 23 23 ALA CB C 83 19.370 22.749 -3.379 1
1 226 . 35 1 1 A 23 23 ALA N N 83 125.180 123.182 1.998 1
1 227 . 35 1 1 A 24 24 SER H H 84 7.970 8.906 -0.936 1
1 228 . 35 1 1 A 24 24 SER HA H 84 5.310 5.196 0.114 1
1 230 . 35 1 1 A 24 24 SER C C 84 174.620 172.776 1.844 1
1 231 . 35 1 1 A 24 24 SER CA C 84 56.550 56.386 0.164 1
1 232 . 35 1 1 A 24 24 SER CB C 84 66.420 65.742 0.678 1
1 233 . 35 1 1 A 24 24 SER N N 84 112.840 112.835 0.005 1
1 234 . 35 1 1 A 25 25 PHE H H 85 9.580 8.933 0.647 1
1 235 . 35 1 1 A 25 25 PHE HA H 85 4.320 4.802 -0.482 1
1 241 . 35 1 1 A 25 25 PHE C C 85 173.430 174.885 -1.455 1
1 242 . 35 1 1 A 25 25 PHE CA C 85 57.780 57.334 0.446 1
1 243 . 35 1 1 A 25 25 PHE CB C 85 38.780 39.539 -0.759 1
1 247 . 35 1 1 A 25 25 PHE N N 85 125.520 124.529 0.991 1
1 248 . 35 1 1 A 26 26 SER H H 86 6.780 8.307 -1.527 1
1 249 . 35 1 1 A 26 26 SER HA H 86 4.430 4.802 -0.372 1
1 252 . 35 1 1 A 26 26 SER C C 86 174.200 175.302 -1.102 1
1 253 . 35 1 1 A 26 26 SER CA C 86 56.610 55.876 0.734 1
1 254 . 35 1 1 A 26 26 SER CB C 86 66.010 65.204 0.806 1
1 255 . 35 1 1 A 26 26 SER N N 86 118.860 119.109 -0.249 1
1 256 . 35 1 1 A 27 27 LYS H H 87 8.710 8.931 -0.221 1
1 257 . 35 1 1 A 27 27 LYS HA H 87 3.850 3.847 0.003 1
1 263 . 35 1 1 A 27 27 LYS C C 87 178.490 178.828 -0.338 1
1 264 . 35 1 1 A 27 27 LYS CA C 87 59.390 59.104 0.286 1
1 265 . 35 1 1 A 27 27 LYS CB C 87 31.970 32.101 -0.131 1
1 269 . 35 1 1 A 27 27 LYS N N 87 121.790 118.500 3.290 1
1 270 . 35 1 1 A 28 28 ARG H H 88 8.010 7.710 0.300 1
1 271 . 35 1 1 A 28 28 ARG HA H 88 3.990 4.009 -0.019 1
1 277 . 35 1 1 A 28 28 ARG C C 88 178.890 178.635 0.255 1
1 278 . 35 1 1 A 28 28 ARG CA C 88 59.010 58.717 0.293 1
1 279 . 35 1 1 A 28 28 ARG CB C 88 30.120 29.998 0.122 1
1 282 . 35 1 1 A 28 28 ARG N N 88 119.520 119.268 0.252 1
1 283 . 35 1 1 A 29 29 ILE H H 89 7.350 7.885 -0.535 1
1 284 . 35 1 1 A 29 29 ILE HA H 89 3.680 3.652 0.028 1
1 294 . 35 1 1 A 29 29 ILE C C 89 177.620 177.614 0.006 1
1 295 . 35 1 1 A 29 29 ILE CA C 89 63.170 65.327 -2.157 1
1 296 . 35 1 1 A 29 29 ILE CB C 89 36.900 36.825 0.075 1
1 300 . 35 1 1 A 29 29 ILE N N 89 121.980 119.778 2.202 1
1 301 . 35 1 1 A 30 30 GLN H H 90 7.990 7.551 0.439 1
1 302 . 35 1 1 A 30 30 GLN HA H 90 3.630 3.890 -0.260 1
1 308 . 35 1 1 A 30 30 GLN C C 90 178.320 178.303 0.017 1
1 309 . 35 1 1 A 30 30 GLN CA C 90 59.200 59.192 0.008 1
1 310 . 35 1 1 A 30 30 GLN CB C 90 28.700 28.108 0.592 1
1 312 . 35 1 1 A 30 30 GLN N N 90 121.020 120.585 0.435 1
1 314 . 35 1 1 A 31 31 LYS H H 91 7.990 8.342 -0.352 1
1 315 . 35 1 1 A 31 31 LYS HA H 91 4.090 4.059 0.031 1
1 321 . 35 1 1 A 31 31 LYS C C 91 178.650 178.582 0.068 1
1 322 . 35 1 1 A 31 31 LYS CA C 91 58.720 59.428 -0.708 1
1 323 . 35 1 1 A 31 31 LYS CB C 91 32.220 32.413 -0.193 1
1 327 . 35 1 1 A 31 31 LYS N N 91 119.520 119.965 -0.445 1
1 328 . 35 1 1 A 32 32 SER H H 92 7.770 8.123 -0.353 1
1 329 . 35 1 1 A 32 32 SER HA H 92 4.320 4.140 0.180 1
1 332 . 35 1 1 A 32 32 SER C C 92 176.110 177.160 -1.050 1
1 333 . 35 1 1 A 32 32 SER CA C 92 61.260 61.099 0.161 1
1 334 . 35 1 1 A 32 32 SER CB C 92 63.610 63.070 0.540 1
1 335 . 35 1 1 A 32 32 SER N N 92 116.310 113.695 2.615 1
1 336 . 35 1 1 A 33 33 ILE H H 93 7.960 7.872 0.088 1
1 337 . 35 1 1 A 33 33 ILE HA H 93 3.920 3.723 0.197 1
1 347 . 35 1 1 A 33 33 ILE C C 93 177.480 178.054 -0.574 1
1 348 . 35 1 1 A 33 33 ILE CA C 93 63.610 64.709 -1.099 1
1 349 . 35 1 1 A 33 33 ILE CB C 93 38.330 37.972 0.358 1
1 353 . 35 1 1 A 33 33 ILE N N 93 119.950 122.148 -2.198 1
1 354 . 35 1 1 A 34 34 SER H H 94 7.970 8.252 -0.282 1
1 355 . 35 1 1 A 34 34 SER HA H 94 4.390 4.093 0.297 1
1 357 . 35 1 1 A 34 34 SER C C 94 176.490 176.977 -0.487 1
1 358 . 35 1 1 A 34 34 SER CA C 94 60.560 61.150 -0.590 1
1 359 . 35 1 1 A 34 34 SER CB C 94 63.130 63.124 0.006 1
1 360 . 35 1 1 A 34 34 SER N N 94 117.230 115.521 1.709 1
1 361 . 35 1 1 A 35 35 GLN H H 95 8.220 7.668 0.552 1
1 362 . 35 1 1 A 35 35 GLN HA H 95 4.260 4.081 0.179 1
1 369 . 35 1 1 A 35 35 GLN C C 95 177.050 178.424 -1.374 1
1 370 . 35 1 1 A 35 35 GLN CA C 95 57.360 58.417 -1.057 1
1 371 . 35 1 1 A 35 35 GLN CB C 95 28.900 28.338 0.562 1
1 373 . 35 1 1 A 35 35 GLN N N 95 121.530 120.105 1.425 1
1 375 . 35 1 1 A 36 36 LYS H H 96 7.870 7.485 0.385 1
1 376 . 35 1 1 A 36 36 LYS HA H 96 4.280 4.166 0.114 1
1 383 . 35 1 1 A 36 36 LYS C C 96 176.160 176.509 -0.349 1
1 384 . 35 1 1 A 36 36 LYS CA C 96 56.570 57.717 -1.147 1
1 385 . 35 1 1 A 36 36 LYS CB C 96 33.600 32.466 1.134 1
1 389 . 35 1 1 A 36 36 LYS N N 96 118.550 116.203 2.347 1
1 390 . 35 1 1 A 37 37 LYS H H 97 8.110 7.873 0.237 1
1 391 . 35 1 1 A 37 37 LYS HA H 97 4.110 3.895 0.215 1
1 396 . 35 1 1 A 37 37 LYS C C 97 176.210 175.293 0.917 1
1 397 . 35 1 1 A 37 37 LYS CA C 97 57.230 57.333 -0.103 1
1 398 . 35 1 1 A 37 37 LYS CB C 97 30.580 30.770 -0.190 1
1 402 . 35 1 1 A 37 37 LYS N N 97 117.680 118.424 -0.744 1
1 403 . 35 1 1 A 38 38 VAL H H 98 7.430 7.594 -0.164 1
1 404 . 35 1 1 A 38 38 VAL HA H 98 4.350 4.930 -0.580 1
1 412 . 35 1 1 A 38 38 VAL C C 98 175.830 174.455 1.375 1
1 413 . 35 1 1 A 38 38 VAL CA C 98 60.580 58.559 2.021 1
1 414 . 35 1 1 A 38 38 VAL CB C 98 33.410 35.446 -2.036 1
1 417 . 35 1 1 A 38 38 VAL N N 98 115.860 114.656 1.204 1
1 418 . 35 1 1 A 39 39 LYS H H 99 8.960 8.476 0.484 1
1 419 . 35 1 1 A 39 39 LYS HA H 99 4.430 4.475 -0.045 1
1 425 . 35 1 1 A 39 39 LYS C C 99 175.700 174.909 0.791 1
1 426 . 35 1 1 A 39 39 LYS CA C 99 55.420 55.642 -0.222 1
1 427 . 35 1 1 A 39 39 LYS CB C 99 30.580 31.048 -0.468 1
1 431 . 35 1 1 A 39 39 LYS N N 99 127.710 121.252 6.458 1
1 432 . 35 1 1 A 40 40 ILE H H 100 7.660 7.687 -0.027 1
1 433 . 35 1 1 A 40 40 ILE HA H 100 5.020 4.887 0.133 1
1 443 . 35 1 1 A 40 40 ILE C C 100 174.520 175.170 -0.650 1
1 444 . 35 1 1 A 40 40 ILE CA C 100 59.370 60.505 -1.135 1
1 445 . 35 1 1 A 40 40 ILE CB C 100 40.650 39.773 0.877 1
1 449 . 35 1 1 A 40 40 ILE N N 100 123.140 125.397 -2.257 1
1 450 . 35 1 1 A 41 41 GLU H H 101 8.490 8.975 -0.485 1
1 451 . 35 1 1 A 41 41 GLU HA H 101 4.620 4.980 -0.360 1
1 456 . 35 1 1 A 41 41 GLU C C 101 173.590 174.862 -1.272 1
1 457 . 35 1 1 A 41 41 GLU CA C 101 53.740 54.325 -0.585 1
1 458 . 35 1 1 A 41 41 GLU CB C 101 34.580 33.326 1.254 1
1 460 . 35 1 1 A 41 41 GLU N N 101 123.460 125.001 -1.541 1
1 461 . 35 1 1 A 42 42 LEU H H 102 8.490 8.345 0.145 1
1 462 . 35 1 1 A 42 42 LEU HA H 102 3.790 4.455 -0.665 1
1 472 . 35 1 1 A 42 42 LEU C C 102 176.440 174.831 1.609 1
1 473 . 35 1 1 A 42 42 LEU CA C 102 55.190 54.194 0.996 1
1 474 . 35 1 1 A 42 42 LEU CB C 102 43.100 43.992 -0.892 1
1 478 . 35 1 1 A 42 42 LEU N N 102 123.470 123.326 0.144 1
1 479 . 35 1 1 A 43 43 ASP H H 103 8.770 8.320 0.450 1
1 480 . 35 1 1 A 43 43 ASP HA H 103 4.520 4.765 -0.245 1
1 483 . 35 1 1 A 43 43 ASP C C 103 177.600 176.257 1.343 1
1 484 . 35 1 1 A 43 43 ASP CA C 103 53.740 53.123 0.617 1
1 485 . 35 1 1 A 43 43 ASP CB C 103 41.880 42.740 -0.860 1
1 486 . 35 1 1 A 43 43 ASP N N 103 127.210 126.057 1.153 1
1 487 . 35 1 1 A 44 44 LYS H H 104 8.910 9.016 -0.106 1
1 488 . 35 1 1 A 44 44 LYS HA H 104 3.920 4.281 -0.361 1
1 495 . 35 1 1 A 44 44 LYS C C 104 177.340 177.354 -0.014 1
1 496 . 35 1 1 A 44 44 LYS CA C 104 58.930 57.442 1.488 1
1 497 . 35 1 1 A 44 44 LYS CB C 104 32.000 32.897 -0.897 1
1 501 . 35 1 1 A 44 44 LYS N N 104 129.080 126.545 2.535 1
1 502 . 35 1 1 A 45 45 SER H H 105 8.740 7.931 0.809 1
1 503 . 35 1 1 A 45 45 SER HA H 105 4.370 4.513 -0.143 1
1 506 . 35 1 1 A 45 45 SER C C 105 175.040 175.303 -0.263 1
1 507 . 35 1 1 A 45 45 SER CA C 105 59.150 58.381 0.769 1
1 508 . 35 1 1 A 45 45 SER CB C 105 63.830 63.364 0.466 1
1 509 . 35 1 1 A 45 45 SER N N 105 115.270 113.183 2.087 1
1 510 . 35 1 1 A 46 46 ALA H H 106 7.430 7.849 -0.419 1
1 511 . 35 1 1 A 46 46 ALA HA H 106 4.150 4.114 0.036 1
1 515 . 35 1 1 A 46 46 ALA CA C 106 53.300 54.262 -0.962 1
1 516 . 35 1 1 A 46 46 ALA CB C 106 19.190 18.988 0.202 1
1 517 . 35 1 1 A 46 46 ALA N N 106 125.120 124.650 0.470 1
1 518 . 35 1 1 A 47 47 ARG HA H 107 4.280 4.548 -0.268 1
1 526 . 35 1 1 A 48 48 HIS HA H 108 4.650 4.837 -0.187 1
1 531 . 35 1 1 A 48 48 HIS C C 108 173.160 172.655 0.505 1
1 532 . 35 1 1 A 48 48 HIS CA C 108 54.990 54.931 0.059 1
1 533 . 35 1 1 A 48 48 HIS CB C 108 33.400 31.626 1.774 1
1 538 . 35 1 1 A 49 49 LEU H H 109 8.030 8.556 -0.526 1
1 539 . 35 1 1 A 49 49 LEU HA H 109 5.040 4.705 0.335 1
1 549 . 35 1 1 A 49 49 LEU CA C 109 54.480 53.960 0.520 1
1 550 . 35 1 1 A 49 49 LEU CB C 109 43.010 42.826 0.184 1
1 554 . 35 1 1 A 49 49 LEU N N 109 120.130 118.949 1.181 1
1 555 . 35 1 1 A 50 50 TYR HA H 110 5.020 5.227 -0.207 1
1 560 . 35 1 1 A 50 50 TYR C C 110 176.960 175.557 1.403 1
1 561 . 35 1 1 A 50 50 TYR CA C 110 60.340 56.960 3.380 1
1 562 . 35 1 1 A 50 50 TYR CB C 110 39.210 41.659 -2.449 1
1 565 . 35 1 1 A 51 51 ILE H H 111 8.510 8.534 -0.024 1
1 566 . 35 1 1 A 51 51 ILE HA H 111 5.960 5.083 0.877 1
1 576 . 35 1 1 A 51 51 ILE C C 111 177.900 176.069 1.831 1
1 577 . 35 1 1 A 51 51 ILE CA C 111 58.100 59.293 -1.193 1
1 578 . 35 1 1 A 51 51 ILE CB C 111 41.370 40.802 0.568 1
1 582 . 35 1 1 A 51 51 ILE N N 111 115.050 118.955 -3.905 1
1 583 . 35 1 1 A 52 52 CYS H H 112 9.830 8.780 1.050 1
1 584 . 35 1 1 A 52 52 CYS HA H 112 5.000 4.842 0.158 1
1 587 . 35 1 1 A 52 52 CYS C C 112 175.420 175.735 -0.315 1
1 588 . 35 1 1 A 52 52 CYS CA C 112 57.770 57.802 -0.032 1
1 589 . 35 1 1 A 52 52 CYS CB C 112 33.120 29.843 3.277 1
1 590 . 35 1 1 A 52 52 CYS N N 112 125.820 121.792 4.028 1
1 591 . 35 1 1 A 53 53 ASP H H 113 9.000 8.997 0.003 1
1 592 . 35 1 1 A 53 53 ASP HA H 113 4.510 4.332 0.178 1
1 594 . 35 1 1 A 53 53 ASP C C 113 178.140 178.071 0.069 1
1 595 . 35 1 1 A 53 53 ASP CA C 113 57.330 57.344 -0.014 1
1 596 . 35 1 1 A 53 53 ASP CB C 113 39.730 40.495 -0.765 1
1 597 . 35 1 1 A 53 53 ASP N N 113 121.960 120.526 1.434 1
1 598 . 35 1 1 A 54 54 TYR H H 114 8.220 8.182 0.038 1
1 599 . 35 1 1 A 54 54 TYR HA H 114 4.100 4.114 -0.014 1
1 604 . 35 1 1 A 54 54 TYR C C 114 178.410 177.074 1.336 1
1 605 . 35 1 1 A 54 54 TYR CA C 114 61.970 61.871 0.099 1
1 606 . 35 1 1 A 54 54 TYR CB C 114 37.150 38.824 -1.674 1
1 609 . 35 1 1 A 54 54 TYR N N 114 123.510 122.172 1.338 1
1 610 . 35 1 1 A 55 55 HIS H H 115 10.090 8.136 1.954 1
1 611 . 35 1 1 A 55 55 HIS HA H 115 4.040 3.882 0.158 1
1 616 . 35 1 1 A 55 55 HIS C C 115 177.240 177.444 -0.204 1
1 617 . 35 1 1 A 55 55 HIS CA C 115 63.870 59.446 4.424 1
1 618 . 35 1 1 A 55 55 HIS CB C 115 29.600 29.451 0.149 1
1 621 . 35 1 1 A 55 55 HIS N N 115 124.830 116.733 8.097 1
1 624 . 35 1 1 A 56 56 LYS H H 116 8.830 8.040 0.790 1
1 625 . 35 1 1 A 56 56 LYS HA H 116 3.720 3.871 -0.151 1
1 633 . 35 1 1 A 56 56 LYS C C 116 178.140 178.623 -0.483 1
1 634 . 35 1 1 A 56 56 LYS CA C 116 60.590 60.021 0.569 1
1 635 . 35 1 1 A 56 56 LYS CB C 116 32.230 32.123 0.107 1
1 639 . 35 1 1 A 56 56 LYS N N 116 123.340 120.690 2.650 1
1 640 . 35 1 1 A 57 57 ASN H H 117 8.140 8.268 -0.128 1
1 641 . 35 1 1 A 57 57 ASN HA H 117 4.340 4.505 -0.165 1
1 646 . 35 1 1 A 57 57 ASN C C 117 177.570 177.491 0.079 1
1 647 . 35 1 1 A 57 57 ASN CA C 117 55.890 56.209 -0.319 1
1 648 . 35 1 1 A 57 57 ASN CB C 117 38.070 38.741 -0.671 1
1 649 . 35 1 1 A 57 57 ASN N N 117 116.920 118.263 -1.343 1
1 651 . 35 1 1 A 58 58 LEU H H 118 7.890 7.597 0.293 1
1 652 . 35 1 1 A 58 58 LEU HA H 118 3.930 3.963 -0.033 1
1 662 . 35 1 1 A 58 58 LEU C C 118 179.400 178.391 1.009 1
1 663 . 35 1 1 A 58 58 LEU CA C 118 58.420 58.052 0.368 1
1 664 . 35 1 1 A 58 58 LEU CB C 118 43.170 41.695 1.475 1
1 668 . 35 1 1 A 58 58 LEU N N 118 123.590 119.907 3.683 1
1 669 . 35 1 1 A 59 59 ILE H H 119 8.360 8.170 0.190 1
1 670 . 35 1 1 A 59 59 ILE HA H 119 3.470 3.643 -0.173 1
1 680 . 35 1 1 A 59 59 ILE C C 119 177.290 177.580 -0.290 1
1 681 . 35 1 1 A 59 59 ILE CA C 119 65.260 64.642 0.618 1
1 682 . 35 1 1 A 59 59 ILE CB C 119 38.330 37.503 0.827 1
1 686 . 35 1 1 A 59 59 ILE N N 119 118.630 119.396 -0.766 1
1 687 . 35 1 1 A 60 60 GLN H H 120 7.830 8.090 -0.260 1
1 688 . 35 1 1 A 60 60 GLN HA H 120 4.130 3.988 0.142 1
1 694 . 35 1 1 A 60 60 GLN C C 120 177.240 177.303 -0.063 1
1 695 . 35 1 1 A 60 60 GLN CA C 120 57.750 58.974 -1.224 1
1 696 . 35 1 1 A 60 60 GLN CB C 120 28.910 28.347 0.563 1
1 698 . 35 1 1 A 60 60 GLN N N 120 117.840 120.512 -2.672 1
1 700 . 35 1 1 A 61 61 SER H H 121 7.790 7.577 0.213 1
1 701 . 35 1 1 A 61 61 SER HA H 121 4.300 4.719 -0.419 1
1 703 . 35 1 1 A 61 61 SER C C 121 175.650 174.111 1.539 1
1 704 . 35 1 1 A 61 61 SER CA C 121 60.090 57.199 2.891 1
1 705 . 35 1 1 A 61 61 SER CB C 121 63.570 61.060 2.510 1
1 706 . 35 1 1 A 61 61 SER N N 121 115.460 112.615 2.845 1
1 707 . 35 1 1 A 62 62 VAL H H 122 8.020 7.986 0.034 1
1 708 . 35 1 1 A 62 62 VAL HA H 122 4.020 4.250 -0.230 1
1 716 . 35 1 1 A 62 62 VAL C C 122 176.960 177.063 -0.103 1
1 717 . 35 1 1 A 62 62 VAL CA C 122 63.600 63.343 0.257 1
1 718 . 35 1 1 A 62 62 VAL CB C 122 32.300 34.543 -2.243 1
1 721 . 35 1 1 A 62 62 VAL N N 122 121.600 121.942 -0.342 1
1 722 . 35 1 1 A 63 63 ARG H H 123 8.130 7.947 0.183 1
1 723 . 35 1 1 A 63 63 ARG HA H 123 4.190 4.496 -0.306 1
1 729 . 35 1 1 A 63 63 ARG C C 123 176.490 175.176 1.314 1
1 730 . 35 1 1 A 63 63 ARG CA C 123 57.070 55.328 1.742 1
1 731 . 35 1 1 A 63 63 ARG CB C 123 30.780 30.093 0.687 1
1 734 . 35 1 1 A 63 63 ARG N N 123 122.770 118.432 4.338 1
1 735 . 35 1 1 A 64 64 ASN H H 124 8.210 7.707 0.503 1
1 736 . 35 1 1 A 64 64 ASN HA H 124 4.650 5.247 -0.597 1
1 741 . 35 1 1 A 64 64 ASN C C 124 175.310 174.806 0.504 1
1 742 . 35 1 1 A 64 64 ASN CA C 124 53.500 51.811 1.689 1
1 743 . 35 1 1 A 64 64 ASN CB C 124 38.840 40.060 -1.220 1
1 744 . 35 1 1 A 64 64 ASN N N 124 119.350 116.990 2.360 1
1 746 . 35 1 1 A 65 65 ARG H H 125 8.100 9.030 -0.930 1
1 747 . 35 1 1 A 65 65 ARG HA H 125 4.270 4.636 -0.366 1
1 752 . 35 1 1 A 65 65 ARG C C 125 176.310 176.691 -0.381 1
1 753 . 35 1 1 A 65 65 ARG CA C 125 56.580 57.006 -0.426 1
1 754 . 35 1 1 A 65 65 ARG CB C 125 30.810 33.557 -2.747 1
1 757 . 35 1 1 A 65 65 ARG N N 125 122.230 122.459 -0.229 1
1 758 . 35 1 1 A 66 66 ARG H H 126 8.260 8.024 0.236 1
1 759 . 35 1 1 A 66 66 ARG HA H 126 4.270 4.478 -0.208 1
1 764 . 35 1 1 A 66 66 ARG C C 126 176.210 176.017 0.193 1
1 765 . 35 1 1 A 66 66 ARG CA C 126 56.190 57.057 -0.867 1
1 766 . 35 1 1 A 66 66 ARG CB C 126 30.810 32.621 -1.811 1
1 769 . 35 1 1 A 66 66 ARG N N 126 122.760 117.278 5.482 1
1 770 . 35 1 1 A 67 67 LYS H H 127 8.270 8.150 0.120 1
1 771 . 35 1 1 A 67 67 LYS HA H 127 4.260 3.930 0.330 1
1 776 . 35 1 1 A 67 67 LYS C C 127 176.450 176.074 0.376 1
1 777 . 35 1 1 A 67 67 LYS CA C 127 56.320 57.349 -1.029 1
1 778 . 35 1 1 A 67 67 LYS CB C 127 33.180 29.861 3.319 1
1 782 . 35 1 1 A 67 67 LYS N N 127 123.620 117.160 6.460 1
1 783 . 35 1 1 A 68 68 ARG H H 128 8.340 7.974 0.366 1
1 784 . 35 1 1 A 68 68 ARG HA H 128 4.270 4.490 -0.220 1
1 788 . 35 1 1 A 68 68 ARG C C 128 176.250 176.005 0.245 1
1 789 . 35 1 1 A 68 68 ARG CA C 128 56.130 56.387 -0.257 1
1 790 . 35 1 1 A 68 68 ARG CB C 128 31.060 31.828 -0.768 1
1 793 . 35 1 1 A 68 68 ARG N N 128 123.750 118.641 5.109 1
1 794 . 35 1 1 A 69 69 LYS H H 129 8.450 8.088 0.362 1
1 795 . 35 1 1 A 69 69 LYS HA H 129 4.250 4.157 0.093 1
1 800 . 35 1 1 A 69 69 LYS C C 129 177.010 176.209 0.801 1
1 801 . 35 1 1 A 69 69 LYS CA C 129 57.000 58.453 -1.453 1
1 802 . 35 1 1 A 69 69 LYS CB C 129 32.940 31.173 1.767 1
1 806 . 35 1 1 A 69 69 LYS N N 129 124.580 118.070 6.510 1
1 807 . 35 1 1 A 70 70 GLY H H 130 8.500 8.693 -0.193 1
1 808 . 35 1 1 A 70 70 GLY HA2 H 130 3.910 3.986 -0.076 1
1 809 . 35 1 1 A 70 70 GLY HA3 H 130 4.010 3.986 0.024 1
1 810 . 35 1 1 A 70 70 GLY C C 130 173.360 174.710 -1.350 1
1 811 . 35 1 1 A 70 70 GLY CA C 130 45.370 45.235 0.135 1
1 812 . 35 1 1 A 70 70 GLY N N 130 112.470 111.668 0.802 1
1 6 . 36 1 1 A 2 2 ASN HA H 62 4.610 4.325 0.285 1
1 10 . 36 1 1 A 2 2 ASN C C 62 174.760 173.757 1.003 1
1 11 . 36 1 1 A 2 2 ASN CA C 62 53.100 54.085 -0.985 1
1 12 . 36 1 1 A 2 2 ASN CB C 62 38.790 37.463 1.327 1
1 14 . 36 1 1 A 3 3 ALA H H 63 8.300 7.566 0.734 1
1 15 . 36 1 1 A 3 3 ALA HA H 63 4.200 4.630 -0.430 1
1 19 . 36 1 1 A 3 3 ALA C C 63 178.180 177.074 1.106 1
1 20 . 36 1 1 A 3 3 ALA CA C 63 53.070 51.650 1.420 1
1 21 . 36 1 1 A 3 3 ALA CB C 63 18.960 22.581 -3.621 1
1 22 . 36 1 1 A 3 3 ALA N N 63 125.390 118.224 7.166 1
1 23 . 36 1 1 A 4 4 GLY H H 64 8.340 8.534 -0.194 1
1 24 . 36 1 1 A 4 4 GLY HA2 H 64 3.800 3.864 -0.064 1
1 25 . 36 1 1 A 4 4 GLY HA3 H 64 3.860 3.874 -0.014 1
1 26 . 36 1 1 A 4 4 GLY C C 64 174.010 174.792 -0.782 1
1 27 . 36 1 1 A 4 4 GLY CA C 64 45.350 46.885 -1.535 1
1 28 . 36 1 1 A 4 4 GLY N N 64 109.300 110.509 -1.209 1
1 29 . 36 1 1 A 5 5 GLN H H 65 7.950 7.965 -0.015 1
1 30 . 36 1 1 A 5 5 GLN HA H 65 4.330 4.606 -0.276 1
1 35 . 36 1 1 A 5 5 GLN C C 65 175.560 175.135 0.425 1
1 36 . 36 1 1 A 5 5 GLN CA C 65 55.400 54.854 0.546 1
1 37 . 36 1 1 A 5 5 GLN CB C 65 29.860 30.341 -0.481 1
1 39 . 36 1 1 A 5 5 GLN N N 65 119.540 118.875 0.665 1
1 41 . 36 1 1 A 6 6 LEU H H 66 8.740 8.909 -0.169 1
1 42 . 36 1 1 A 6 6 LEU HA H 66 4.610 4.984 -0.374 1
1 52 . 36 1 1 A 6 6 LEU C C 66 175.750 176.164 -0.414 1
1 53 . 36 1 1 A 6 6 LEU CA C 66 54.010 53.368 0.642 1
1 54 . 36 1 1 A 6 6 LEU CB C 66 43.490 44.444 -0.954 1
1 58 . 36 1 1 A 6 6 LEU N N 66 126.120 121.746 4.374 1
1 59 . 36 1 1 A 7 7 CYS H H 67 8.470 8.566 -0.096 1
1 60 . 36 1 1 A 7 7 CYS HA H 67 4.140 4.384 -0.244 1
1 63 . 36 1 1 A 7 7 CYS C C 67 175.320 176.309 -0.989 1
1 64 . 36 1 1 A 7 7 CYS CA C 67 60.780 59.976 0.804 1
1 65 . 36 1 1 A 7 7 CYS CB C 67 32.850 28.561 4.289 1
1 66 . 36 1 1 A 7 7 CYS N N 67 123.170 123.978 -0.808 1
1 67 . 36 1 1 A 8 8 CYS H H 68 8.170 8.733 -0.563 1
1 68 . 36 1 1 A 8 8 CYS HA H 68 4.280 4.686 -0.406 1
1 72 . 36 1 1 A 8 8 CYS C C 68 172.410 174.235 -1.825 1
1 73 . 36 1 1 A 8 8 CYS CA C 68 58.920 58.714 0.206 1
1 74 . 36 1 1 A 8 8 CYS CB C 68 28.920 27.701 1.219 1
1 75 . 36 1 1 A 8 8 CYS N N 68 124.700 122.618 2.082 1
1 76 . 36 1 1 A 9 9 LEU H H 69 8.180 7.630 0.550 1
1 77 . 36 1 1 A 9 9 LEU HA H 69 4.580 4.805 -0.225 1
1 87 . 36 1 1 A 9 9 LEU C C 69 176.770 176.384 0.386 1
1 88 . 36 1 1 A 9 9 LEU CA C 69 54.760 52.953 1.807 1
1 89 . 36 1 1 A 9 9 LEU CB C 69 43.150 44.860 -1.710 1
1 93 . 36 1 1 A 9 9 LEU N N 69 122.650 122.781 -0.131 1
1 94 . 36 1 1 A 10 10 ARG H H 70 8.880 8.445 0.435 1
1 95 . 36 1 1 A 10 10 ARG HA H 70 4.770 5.362 -0.592 1
1 102 . 36 1 1 A 10 10 ARG C C 70 174.900 174.231 0.669 1
1 103 . 36 1 1 A 10 10 ARG CA C 70 54.710 54.407 0.303 1
1 104 . 36 1 1 A 10 10 ARG CB C 70 33.390 31.957 1.433 1
1 107 . 36 1 1 A 10 10 ARG N N 70 117.650 121.985 -4.335 1
1 108 . 36 1 1 A 11 11 GLU H H 71 8.640 8.904 -0.264 1
1 109 . 36 1 1 A 11 11 GLU HA H 71 5.090 4.580 0.510 1
1 113 . 36 1 1 A 11 11 GLU C C 71 176.070 175.695 0.375 1
1 114 . 36 1 1 A 11 11 GLU CA C 71 54.270 55.370 -1.100 1
1 115 . 36 1 1 A 11 11 GLU CB C 71 32.460 30.809 1.651 1
1 117 . 36 1 1 A 11 11 GLU N N 71 123.910 126.196 -2.286 1
1 118 . 36 1 1 A 12 12 ASP H H 72 9.510 9.193 0.317 1
1 119 . 36 1 1 A 12 12 ASP HA H 72 4.270 4.428 -0.158 1
1 122 . 36 1 1 A 12 12 ASP C C 72 175.890 176.018 -0.128 1
1 123 . 36 1 1 A 12 12 ASP CA C 72 55.880 55.345 0.535 1
1 124 . 36 1 1 A 12 12 ASP CB C 72 39.910 39.896 0.014 1
1 125 . 36 1 1 A 12 12 ASP N N 72 129.440 128.580 0.860 1
1 126 . 36 1 1 A 13 13 GLY H H 73 8.970 8.674 0.296 1
1 127 . 36 1 1 A 13 13 GLY HA2 H 73 3.520 3.844 -0.324 1
1 128 . 36 1 1 A 13 13 GLY HA3 H 73 4.200 3.846 0.354 1
1 129 . 36 1 1 A 13 13 GLY C C 73 173.960 173.786 0.174 1
1 130 . 36 1 1 A 13 13 GLY CA C 73 45.350 45.432 -0.082 1
1 131 . 36 1 1 A 13 13 GLY N N 73 103.500 103.626 -0.126 1
1 132 . 36 1 1 A 14 14 GLU H H 74 7.660 7.922 -0.262 1
1 133 . 36 1 1 A 14 14 GLU HA H 74 4.640 4.548 0.092 1
1 138 . 36 1 1 A 14 14 GLU C C 74 176.170 175.740 0.430 1
1 139 . 36 1 1 A 14 14 GLU CA C 74 54.460 55.352 -0.892 1
1 140 . 36 1 1 A 14 14 GLU CB C 74 32.050 31.205 0.845 1
1 142 . 36 1 1 A 14 14 GLU N N 74 121.330 120.449 0.881 1
1 143 . 36 1 1 A 15 15 ARG H H 75 9.000 8.647 0.353 1
1 144 . 36 1 1 A 15 15 ARG HA H 75 4.120 4.347 -0.227 1
1 150 . 36 1 1 A 15 15 ARG C C 75 175.230 176.026 -0.796 1
1 151 . 36 1 1 A 15 15 ARG CA C 75 56.640 54.943 1.697 1
1 152 . 36 1 1 A 15 15 ARG CB C 75 29.720 28.754 0.966 1
1 155 . 36 1 1 A 15 15 ARG N N 75 127.990 124.383 3.607 1
1 156 . 36 1 1 A 16 16 CYS H H 76 8.870 9.219 -0.349 1
1 157 . 36 1 1 A 16 16 CYS HA H 76 4.170 4.337 -0.167 1
1 160 . 36 1 1 A 16 16 CYS CA C 76 61.840 61.112 0.728 1
1 161 . 36 1 1 A 16 16 CYS CB C 76 31.150 28.071 3.079 1
1 162 . 36 1 1 A 16 16 CYS N N 76 131.840 124.691 7.149 1
1 163 . 36 1 1 A 17 17 GLY H H 77 8.530 8.186 0.344 1
1 164 . 36 1 1 A 17 17 GLY HA2 H 77 3.680 3.951 -0.271 1
1 165 . 36 1 1 A 17 17 GLY HA3 H 77 4.340 3.972 0.368 1
1 166 . 36 1 1 A 17 17 GLY C C 77 174.620 174.090 0.530 1
1 167 . 36 1 1 A 17 17 GLY CA C 77 45.110 45.044 0.066 1
1 168 . 36 1 1 A 17 17 GLY N N 77 111.930 108.495 3.435 1
1 169 . 36 1 1 A 18 18 ARG H H 78 8.960 7.887 1.073 1
1 170 . 36 1 1 A 18 18 ARG HA H 78 4.290 4.490 -0.200 1
1 177 . 36 1 1 A 18 18 ARG C C 78 175.270 175.723 -0.453 1
1 178 . 36 1 1 A 18 18 ARG CA C 78 56.350 55.215 1.135 1
1 179 . 36 1 1 A 18 18 ARG CB C 78 31.310 31.633 -0.323 1
1 182 . 36 1 1 A 18 18 ARG N N 78 124.390 122.050 2.340 1
1 183 . 36 1 1 A 19 19 ALA H H 79 8.340 8.516 -0.176 1
1 184 . 36 1 1 A 19 19 ALA HA H 79 4.170 4.359 -0.189 1
1 188 . 36 1 1 A 19 19 ALA C C 79 177.620 177.131 0.489 1
1 189 . 36 1 1 A 19 19 ALA CA C 79 52.710 51.865 0.845 1
1 190 . 36 1 1 A 19 19 ALA CB C 79 18.710 19.408 -0.698 1
1 191 . 36 1 1 A 19 19 ALA N N 79 123.880 126.978 -3.098 1
1 192 . 36 1 1 A 20 20 ALA H H 80 8.470 8.748 -0.278 1
1 193 . 36 1 1 A 20 20 ALA HA H 80 3.540 4.263 -0.723 1
1 197 . 36 1 1 A 20 20 ALA C C 80 177.560 177.958 -0.398 1
1 198 . 36 1 1 A 20 20 ALA CA C 80 52.840 52.610 0.230 1
1 199 . 36 1 1 A 20 20 ALA CB C 80 19.050 19.122 -0.072 1
1 200 . 36 1 1 A 20 20 ALA N N 80 124.580 123.563 1.017 1
1 201 . 36 1 1 A 21 21 GLY H H 81 8.090 8.757 -0.667 1
1 202 . 36 1 1 A 21 21 GLY HA2 H 81 3.800 4.204 -0.404 1
1 203 . 36 1 1 A 21 21 GLY HA3 H 81 4.430 4.228 0.202 1
1 204 . 36 1 1 A 21 21 GLY C C 81 173.170 172.637 0.533 1
1 205 . 36 1 1 A 21 21 GLY CA C 81 44.390 44.878 -0.488 1
1 206 . 36 1 1 A 21 21 GLY N N 81 114.000 107.461 6.539 1
1 207 . 36 1 1 A 22 22 ASN H H 82 8.690 8.501 0.189 1
1 208 . 36 1 1 A 22 22 ASN HA H 82 4.650 4.941 -0.291 1
1 213 . 36 1 1 A 22 22 ASN C C 82 176.260 173.874 2.386 1
1 214 . 36 1 1 A 22 22 ASN CA C 82 53.580 52.178 1.402 1
1 215 . 36 1 1 A 22 22 ASN CB C 82 39.580 37.342 2.238 1
1 216 . 36 1 1 A 22 22 ASN N N 82 118.160 121.295 -3.135 1
1 218 . 36 1 1 A 23 23 ALA H H 83 8.720 7.963 0.757 1
1 219 . 36 1 1 A 23 23 ALA HA H 83 4.570 4.857 -0.287 1
1 223 . 36 1 1 A 23 23 ALA C C 83 175.910 175.522 0.388 1
1 224 . 36 1 1 A 23 23 ALA CA C 83 52.340 51.611 0.729 1
1 225 . 36 1 1 A 23 23 ALA CB C 83 19.370 23.195 -3.825 1
1 226 . 36 1 1 A 23 23 ALA N N 83 125.180 125.105 0.075 1
1 227 . 36 1 1 A 24 24 SER H H 84 7.970 8.552 -0.582 1
1 228 . 36 1 1 A 24 24 SER HA H 84 5.310 5.061 0.249 1
1 230 . 36 1 1 A 24 24 SER C C 84 174.620 172.171 2.449 1
1 231 . 36 1 1 A 24 24 SER CA C 84 56.550 57.190 -0.640 1
1 232 . 36 1 1 A 24 24 SER CB C 84 66.420 66.421 -0.001 1
1 233 . 36 1 1 A 24 24 SER N N 84 112.840 111.776 1.064 1
1 234 . 36 1 1 A 25 25 PHE H H 85 9.580 8.873 0.707 1
1 235 . 36 1 1 A 25 25 PHE HA H 85 4.320 5.217 -0.897 1
1 241 . 36 1 1 A 25 25 PHE C C 85 173.430 174.277 -0.847 1
1 242 . 36 1 1 A 25 25 PHE CA C 85 57.780 56.255 1.525 1
1 243 . 36 1 1 A 25 25 PHE CB C 85 38.780 41.800 -3.020 1
1 247 . 36 1 1 A 25 25 PHE N N 85 125.520 123.121 2.399 1
1 248 . 36 1 1 A 26 26 SER H H 86 6.780 8.410 -1.630 1
1 249 . 36 1 1 A 26 26 SER HA H 86 4.430 4.816 -0.386 1
1 252 . 36 1 1 A 26 26 SER C C 86 174.200 174.870 -0.670 1
1 253 . 36 1 1 A 26 26 SER CA C 86 56.610 55.889 0.721 1
1 254 . 36 1 1 A 26 26 SER CB C 86 66.010 66.172 -0.162 1
1 255 . 36 1 1 A 26 26 SER N N 86 118.860 118.627 0.233 1
1 256 . 36 1 1 A 27 27 LYS H H 87 8.710 8.670 0.040 1
1 257 . 36 1 1 A 27 27 LYS HA H 87 3.850 3.734 0.116 1
1 263 . 36 1 1 A 27 27 LYS C C 87 178.490 179.050 -0.560 1
1 264 . 36 1 1 A 27 27 LYS CA C 87 59.390 59.582 -0.192 1
1 265 . 36 1 1 A 27 27 LYS CB C 87 31.970 32.298 -0.328 1
1 269 . 36 1 1 A 27 27 LYS N N 87 121.790 118.943 2.847 1
1 270 . 36 1 1 A 28 28 ARG H H 88 8.010 7.753 0.257 1
1 271 . 36 1 1 A 28 28 ARG HA H 88 3.990 3.999 -0.009 1
1 277 . 36 1 1 A 28 28 ARG C C 88 178.890 178.600 0.290 1
1 278 . 36 1 1 A 28 28 ARG CA C 88 59.010 58.720 0.290 1
1 279 . 36 1 1 A 28 28 ARG CB C 88 30.120 29.923 0.197 1
1 282 . 36 1 1 A 28 28 ARG N N 88 119.520 119.536 -0.016 1
1 283 . 36 1 1 A 29 29 ILE H H 89 7.350 7.870 -0.520 1
1 284 . 36 1 1 A 29 29 ILE HA H 89 3.680 3.680 0.000 1
1 294 . 36 1 1 A 29 29 ILE C C 89 177.620 177.782 -0.162 1
1 295 . 36 1 1 A 29 29 ILE CA C 89 63.170 65.272 -2.102 1
1 296 . 36 1 1 A 29 29 ILE CB C 89 36.900 36.879 0.021 1
1 300 . 36 1 1 A 29 29 ILE N N 89 121.980 119.973 2.007 1
1 301 . 36 1 1 A 30 30 GLN H H 90 7.990 7.558 0.432 1
1 302 . 36 1 1 A 30 30 GLN HA H 90 3.630 3.983 -0.353 1
1 308 . 36 1 1 A 30 30 GLN C C 90 178.320 178.459 -0.139 1
1 309 . 36 1 1 A 30 30 GLN CA C 90 59.200 59.283 -0.083 1
1 310 . 36 1 1 A 30 30 GLN CB C 90 28.700 28.109 0.591 1
1 312 . 36 1 1 A 30 30 GLN N N 90 121.020 120.682 0.338 1
1 314 . 36 1 1 A 31 31 LYS H H 91 7.990 8.045 -0.055 1
1 315 . 36 1 1 A 31 31 LYS HA H 91 4.090 4.071 0.019 1
1 321 . 36 1 1 A 31 31 LYS C C 91 178.650 178.298 0.352 1
1 322 . 36 1 1 A 31 31 LYS CA C 91 58.720 59.463 -0.743 1
1 323 . 36 1 1 A 31 31 LYS CB C 91 32.220 32.269 -0.049 1
1 327 . 36 1 1 A 31 31 LYS N N 91 119.520 120.277 -0.757 1
1 328 . 36 1 1 A 32 32 SER H H 92 7.770 8.057 -0.287 1
1 329 . 36 1 1 A 32 32 SER HA H 92 4.320 4.133 0.187 1
1 332 . 36 1 1 A 32 32 SER C C 92 176.110 177.454 -1.344 1
1 333 . 36 1 1 A 32 32 SER CA C 92 61.260 61.821 -0.561 1
1 334 . 36 1 1 A 32 32 SER CB C 92 63.610 63.435 0.175 1
1 335 . 36 1 1 A 32 32 SER N N 92 116.310 114.169 2.141 1
1 336 . 36 1 1 A 33 33 ILE H H 93 7.960 8.065 -0.105 1
1 337 . 36 1 1 A 33 33 ILE HA H 93 3.920 3.706 0.214 1
1 347 . 36 1 1 A 33 33 ILE C C 93 177.480 177.895 -0.415 1
1 348 . 36 1 1 A 33 33 ILE CA C 93 63.610 65.134 -1.524 1
1 349 . 36 1 1 A 33 33 ILE CB C 93 38.330 37.814 0.516 1
1 353 . 36 1 1 A 33 33 ILE N N 93 119.950 121.494 -1.544 1
1 354 . 36 1 1 A 34 34 SER H H 94 7.970 8.341 -0.371 1
1 355 . 36 1 1 A 34 34 SER HA H 94 4.390 4.029 0.361 1
1 357 . 36 1 1 A 34 34 SER C C 94 176.490 177.394 -0.904 1
1 358 . 36 1 1 A 34 34 SER CA C 94 60.560 61.644 -1.084 1
1 359 . 36 1 1 A 34 34 SER CB C 94 63.130 62.969 0.161 1
1 360 . 36 1 1 A 34 34 SER N N 94 117.230 116.236 0.994 1
1 361 . 36 1 1 A 35 35 GLN H H 95 8.220 8.239 -0.019 1
1 362 . 36 1 1 A 35 35 GLN HA H 95 4.260 3.936 0.324 1
1 369 . 36 1 1 A 35 35 GLN C C 95 177.050 178.116 -1.066 1
1 370 . 36 1 1 A 35 35 GLN CA C 95 57.360 59.062 -1.702 1
1 371 . 36 1 1 A 35 35 GLN CB C 95 28.900 28.169 0.731 1
1 373 . 36 1 1 A 35 35 GLN N N 95 121.530 120.754 0.776 1
1 375 . 36 1 1 A 36 36 LYS H H 96 7.870 7.406 0.464 1
1 376 . 36 1 1 A 36 36 LYS HA H 96 4.280 4.124 0.156 1
1 383 . 36 1 1 A 36 36 LYS C C 96 176.160 176.811 -0.651 1
1 384 . 36 1 1 A 36 36 LYS CA C 96 56.570 59.090 -2.520 1
1 385 . 36 1 1 A 36 36 LYS CB C 96 33.600 32.633 0.967 1
1 389 . 36 1 1 A 36 36 LYS N N 96 118.550 116.700 1.850 1
1 390 . 36 1 1 A 37 37 LYS H H 97 8.110 8.722 -0.612 1
1 391 . 36 1 1 A 37 37 LYS HA H 97 4.110 3.906 0.204 1
1 396 . 36 1 1 A 37 37 LYS C C 97 176.210 175.409 0.801 1
1 397 . 36 1 1 A 37 37 LYS CA C 97 57.230 57.281 -0.051 1
1 398 . 36 1 1 A 37 37 LYS CB C 97 30.580 30.931 -0.351 1
1 402 . 36 1 1 A 37 37 LYS N N 97 117.680 118.768 -1.088 1
1 403 . 36 1 1 A 38 38 VAL H H 98 7.430 7.824 -0.394 1
1 404 . 36 1 1 A 38 38 VAL HA H 98 4.350 4.876 -0.526 1
1 412 . 36 1 1 A 38 38 VAL C C 98 175.830 175.000 0.830 1
1 413 . 36 1 1 A 38 38 VAL CA C 98 60.580 58.819 1.761 1
1 414 . 36 1 1 A 38 38 VAL CB C 98 33.410 35.663 -2.253 1
1 417 . 36 1 1 A 38 38 VAL N N 98 115.860 115.340 0.520 1
1 418 . 36 1 1 A 39 39 LYS H H 99 8.960 8.403 0.557 1
1 419 . 36 1 1 A 39 39 LYS HA H 99 4.430 4.472 -0.042 1
1 425 . 36 1 1 A 39 39 LYS C C 99 175.700 174.491 1.209 1
1 426 . 36 1 1 A 39 39 LYS CA C 99 55.420 56.074 -0.654 1
1 427 . 36 1 1 A 39 39 LYS CB C 99 30.580 30.628 -0.048 1
1 431 . 36 1 1 A 39 39 LYS N N 99 127.710 119.104 8.606 1
1 432 . 36 1 1 A 40 40 ILE H H 100 7.660 7.357 0.303 1
1 433 . 36 1 1 A 40 40 ILE HA H 100 5.020 4.908 0.112 1
1 443 . 36 1 1 A 40 40 ILE C C 100 174.520 174.756 -0.236 1
1 444 . 36 1 1 A 40 40 ILE CA C 100 59.370 60.279 -0.909 1
1 445 . 36 1 1 A 40 40 ILE CB C 100 40.650 40.724 -0.074 1
1 449 . 36 1 1 A 40 40 ILE N N 100 123.140 122.253 0.887 1
1 450 . 36 1 1 A 41 41 GLU H H 101 8.490 9.015 -0.525 1
1 451 . 36 1 1 A 41 41 GLU HA H 101 4.620 4.893 -0.273 1
1 456 . 36 1 1 A 41 41 GLU C C 101 173.590 174.273 -0.683 1
1 457 . 36 1 1 A 41 41 GLU CA C 101 53.740 54.368 -0.628 1
1 458 . 36 1 1 A 41 41 GLU CB C 101 34.580 33.202 1.378 1
1 460 . 36 1 1 A 41 41 GLU N N 101 123.460 124.456 -0.996 1
1 461 . 36 1 1 A 42 42 LEU H H 102 8.490 8.246 0.244 1
1 462 . 36 1 1 A 42 42 LEU HA H 102 3.790 4.355 -0.565 1
1 472 . 36 1 1 A 42 42 LEU C C 102 176.440 176.093 0.347 1
1 473 . 36 1 1 A 42 42 LEU CA C 102 55.190 54.345 0.845 1
1 474 . 36 1 1 A 42 42 LEU CB C 102 43.100 43.281 -0.181 1
1 478 . 36 1 1 A 42 42 LEU N N 102 123.470 123.475 -0.005 1
1 479 . 36 1 1 A 43 43 ASP H H 103 8.770 8.345 0.425 1
1 480 . 36 1 1 A 43 43 ASP HA H 103 4.520 4.614 -0.094 1
1 483 . 36 1 1 A 43 43 ASP C C 103 177.600 176.073 1.527 1
1 484 . 36 1 1 A 43 43 ASP CA C 103 53.740 54.525 -0.785 1
1 485 . 36 1 1 A 43 43 ASP CB C 103 41.880 42.443 -0.563 1
1 486 . 36 1 1 A 43 43 ASP N N 103 127.210 125.250 1.960 1
1 487 . 36 1 1 A 44 44 LYS H H 104 8.910 9.053 -0.143 1
1 488 . 36 1 1 A 44 44 LYS HA H 104 3.920 4.273 -0.353 1
1 495 . 36 1 1 A 44 44 LYS C C 104 177.340 178.640 -1.300 1
1 496 . 36 1 1 A 44 44 LYS CA C 104 58.930 57.827 1.103 1
1 497 . 36 1 1 A 44 44 LYS CB C 104 32.000 32.820 -0.820 1
1 501 . 36 1 1 A 44 44 LYS N N 104 129.080 126.765 2.315 1
1 502 . 36 1 1 A 45 45 SER H H 105 8.740 7.571 1.169 1
1 503 . 36 1 1 A 45 45 SER HA H 105 4.370 4.173 0.197 1
1 506 . 36 1 1 A 45 45 SER C C 105 175.040 175.804 -0.764 1
1 507 . 36 1 1 A 45 45 SER CA C 105 59.150 61.591 -2.441 1
1 508 . 36 1 1 A 45 45 SER CB C 105 63.830 62.940 0.890 1
1 509 . 36 1 1 A 45 45 SER N N 105 115.270 113.717 1.553 1
1 510 . 36 1 1 A 46 46 ALA H H 106 7.430 7.272 0.158 1
1 511 . 36 1 1 A 46 46 ALA HA H 106 4.150 4.083 0.067 1
1 515 . 36 1 1 A 46 46 ALA CA C 106 53.300 52.848 0.452 1
1 516 . 36 1 1 A 46 46 ALA CB C 106 19.190 19.192 -0.002 1
1 517 . 36 1 1 A 46 46 ALA N N 106 125.120 122.462 2.658 1
1 518 . 36 1 1 A 47 47 ARG HA H 107 4.280 4.352 -0.072 1
1 526 . 36 1 1 A 48 48 HIS HA H 108 4.650 4.587 0.063 1
1 531 . 36 1 1 A 48 48 HIS C C 108 173.160 174.796 -1.636 1
1 532 . 36 1 1 A 48 48 HIS CA C 108 54.990 56.200 -1.210 1
1 533 . 36 1 1 A 48 48 HIS CB C 108 33.400 30.985 2.415 1
1 538 . 36 1 1 A 49 49 LEU H H 109 8.030 8.903 -0.873 1
1 539 . 36 1 1 A 49 49 LEU HA H 109 5.040 4.817 0.223 1
1 549 . 36 1 1 A 49 49 LEU CA C 109 54.480 54.220 0.260 1
1 550 . 36 1 1 A 49 49 LEU CB C 109 43.010 43.381 -0.371 1
1 554 . 36 1 1 A 49 49 LEU N N 109 120.130 120.435 -0.305 1
1 555 . 36 1 1 A 50 50 TYR HA H 110 5.020 5.065 -0.045 1
1 560 . 36 1 1 A 50 50 TYR C C 110 176.960 175.533 1.427 1
1 561 . 36 1 1 A 50 50 TYR CA C 110 60.340 56.714 3.626 1
1 562 . 36 1 1 A 50 50 TYR CB C 110 39.210 42.121 -2.911 1
1 565 . 36 1 1 A 51 51 ILE H H 111 8.510 8.999 -0.489 1
1 566 . 36 1 1 A 51 51 ILE HA H 111 5.960 5.118 0.842 1
1 576 . 36 1 1 A 51 51 ILE C C 111 177.900 175.987 1.913 1
1 577 . 36 1 1 A 51 51 ILE CA C 111 58.100 59.163 -1.063 1
1 578 . 36 1 1 A 51 51 ILE CB C 111 41.370 40.452 0.918 1
1 582 . 36 1 1 A 51 51 ILE N N 111 115.050 118.151 -3.101 1
1 583 . 36 1 1 A 52 52 CYS H H 112 9.830 8.834 0.996 1
1 584 . 36 1 1 A 52 52 CYS HA H 112 5.000 4.951 0.049 1
1 587 . 36 1 1 A 52 52 CYS C C 112 175.420 175.608 -0.188 1
1 588 . 36 1 1 A 52 52 CYS CA C 112 57.770 57.079 0.691 1
1 589 . 36 1 1 A 52 52 CYS CB C 112 33.120 30.373 2.747 1
1 590 . 36 1 1 A 52 52 CYS N N 112 125.820 121.610 4.210 1
1 591 . 36 1 1 A 53 53 ASP H H 113 9.000 9.017 -0.017 1
1 592 . 36 1 1 A 53 53 ASP HA H 113 4.510 4.335 0.175 1
1 594 . 36 1 1 A 53 53 ASP C C 113 178.140 177.602 0.538 1
1 595 . 36 1 1 A 53 53 ASP CA C 113 57.330 57.287 0.043 1
1 596 . 36 1 1 A 53 53 ASP CB C 113 39.730 40.474 -0.744 1
1 597 . 36 1 1 A 53 53 ASP N N 113 121.960 121.995 -0.035 1
1 598 . 36 1 1 A 54 54 TYR H H 114 8.220 8.071 0.149 1
1 599 . 36 1 1 A 54 54 TYR HA H 114 4.100 4.217 -0.117 1
1 604 . 36 1 1 A 54 54 TYR C C 114 178.410 177.290 1.120 1
1 605 . 36 1 1 A 54 54 TYR CA C 114 61.970 61.592 0.378 1
1 606 . 36 1 1 A 54 54 TYR CB C 114 37.150 39.223 -2.073 1
1 609 . 36 1 1 A 54 54 TYR N N 114 123.510 120.904 2.606 1
1 610 . 36 1 1 A 55 55 HIS H H 115 10.090 7.763 2.327 1
1 611 . 36 1 1 A 55 55 HIS HA H 115 4.040 4.124 -0.084 1
1 616 . 36 1 1 A 55 55 HIS C C 115 177.240 177.528 -0.288 1
1 617 . 36 1 1 A 55 55 HIS CA C 115 63.870 59.824 4.046 1
1 618 . 36 1 1 A 55 55 HIS CB C 115 29.600 29.784 -0.184 1
1 621 . 36 1 1 A 55 55 HIS N N 115 124.830 116.965 7.865 1
1 624 . 36 1 1 A 56 56 LYS H H 116 8.830 8.281 0.549 1
1 625 . 36 1 1 A 56 56 LYS HA H 116 3.720 3.871 -0.151 1
1 633 . 36 1 1 A 56 56 LYS C C 116 178.140 178.984 -0.844 1
1 634 . 36 1 1 A 56 56 LYS CA C 116 60.590 60.010 0.580 1
1 635 . 36 1 1 A 56 56 LYS CB C 116 32.230 32.494 -0.264 1
1 639 . 36 1 1 A 56 56 LYS N N 116 123.340 120.685 2.655 1
1 640 . 36 1 1 A 57 57 ASN H H 117 8.140 8.187 -0.047 1
1 641 . 36 1 1 A 57 57 ASN HA H 117 4.340 4.510 -0.170 1
1 646 . 36 1 1 A 57 57 ASN C C 117 177.570 177.476 0.094 1
1 647 . 36 1 1 A 57 57 ASN CA C 117 55.890 56.055 -0.165 1
1 648 . 36 1 1 A 57 57 ASN CB C 117 38.070 38.652 -0.582 1
1 649 . 36 1 1 A 57 57 ASN N N 117 116.920 118.275 -1.355 1
1 651 . 36 1 1 A 58 58 LEU H H 118 7.890 7.655 0.235 1
1 652 . 36 1 1 A 58 58 LEU HA H 118 3.930 3.943 -0.013 1
1 662 . 36 1 1 A 58 58 LEU C C 118 179.400 178.823 0.577 1
1 663 . 36 1 1 A 58 58 LEU CA C 118 58.420 58.048 0.372 1
1 664 . 36 1 1 A 58 58 LEU CB C 118 43.170 41.619 1.551 1
1 668 . 36 1 1 A 58 58 LEU N N 118 123.590 119.942 3.648 1
1 669 . 36 1 1 A 59 59 ILE H H 119 8.360 7.932 0.428 1
1 670 . 36 1 1 A 59 59 ILE HA H 119 3.470 3.894 -0.424 1
1 680 . 36 1 1 A 59 59 ILE C C 119 177.290 178.369 -1.079 1
1 681 . 36 1 1 A 59 59 ILE CA C 119 65.260 63.873 1.387 1
1 682 . 36 1 1 A 59 59 ILE CB C 119 38.330 37.596 0.734 1
1 686 . 36 1 1 A 59 59 ILE N N 119 118.630 119.124 -0.494 1
1 687 . 36 1 1 A 60 60 GLN H H 120 7.830 8.502 -0.672 1
1 688 . 36 1 1 A 60 60 GLN HA H 120 4.130 4.094 0.036 1
1 694 . 36 1 1 A 60 60 GLN C C 120 177.240 177.478 -0.238 1
1 695 . 36 1 1 A 60 60 GLN CA C 120 57.750 58.902 -1.152 1
1 696 . 36 1 1 A 60 60 GLN CB C 120 28.910 28.650 0.260 1
1 698 . 36 1 1 A 60 60 GLN N N 120 117.840 120.258 -2.418 1
1 700 . 36 1 1 A 61 61 SER H H 121 7.790 7.548 0.242 1
1 701 . 36 1 1 A 61 61 SER HA H 121 4.300 4.649 -0.349 1
1 703 . 36 1 1 A 61 61 SER C C 121 175.650 174.653 0.997 1
1 704 . 36 1 1 A 61 61 SER CA C 121 60.090 58.633 1.457 1
1 705 . 36 1 1 A 61 61 SER CB C 121 63.570 63.735 -0.165 1
1 706 . 36 1 1 A 61 61 SER N N 121 115.460 115.522 -0.062 1
1 707 . 36 1 1 A 62 62 VAL H H 122 8.020 7.709 0.311 1
1 708 . 36 1 1 A 62 62 VAL HA H 122 4.020 4.068 -0.048 1
1 716 . 36 1 1 A 62 62 VAL C C 122 176.960 176.527 0.433 1
1 717 . 36 1 1 A 62 62 VAL CA C 122 63.600 64.798 -1.198 1
1 718 . 36 1 1 A 62 62 VAL CB C 122 32.300 32.209 0.091 1
1 721 . 36 1 1 A 62 62 VAL N N 122 121.600 119.240 2.360 1
1 722 . 36 1 1 A 63 63 ARG H H 123 8.130 7.572 0.558 1
1 723 . 36 1 1 A 63 63 ARG HA H 123 4.190 4.539 -0.349 1
1 729 . 36 1 1 A 63 63 ARG C C 123 176.490 175.125 1.365 1
1 730 . 36 1 1 A 63 63 ARG CA C 123 57.070 55.438 1.632 1
1 731 . 36 1 1 A 63 63 ARG CB C 123 30.780 29.621 1.159 1
1 734 . 36 1 1 A 63 63 ARG N N 123 122.770 117.909 4.861 1
1 735 . 36 1 1 A 64 64 ASN H H 124 8.210 7.968 0.242 1
1 736 . 36 1 1 A 64 64 ASN HA H 124 4.650 5.420 -0.770 1
1 741 . 36 1 1 A 64 64 ASN C C 124 175.310 175.014 0.296 1
1 742 . 36 1 1 A 64 64 ASN CA C 124 53.500 51.907 1.593 1
1 743 . 36 1 1 A 64 64 ASN CB C 124 38.840 39.538 -0.698 1
1 744 . 36 1 1 A 64 64 ASN N N 124 119.350 118.020 1.330 1
1 746 . 36 1 1 A 65 65 ARG H H 125 8.100 8.438 -0.338 1
1 747 . 36 1 1 A 65 65 ARG HA H 125 4.270 4.737 -0.467 1
1 752 . 36 1 1 A 65 65 ARG C C 125 176.310 176.545 -0.235 1
1 753 . 36 1 1 A 65 65 ARG CA C 125 56.580 54.113 2.467 1
1 754 . 36 1 1 A 65 65 ARG CB C 125 30.810 33.135 -2.325 1
1 757 . 36 1 1 A 65 65 ARG N N 125 122.230 123.860 -1.630 1
1 758 . 36 1 1 A 66 66 ARG H H 126 8.260 8.836 -0.576 1
1 759 . 36 1 1 A 66 66 ARG HA H 126 4.270 4.051 0.219 1
1 764 . 36 1 1 A 66 66 ARG C C 126 176.210 176.512 -0.302 1
1 765 . 36 1 1 A 66 66 ARG CA C 126 56.190 58.895 -2.705 1
1 766 . 36 1 1 A 66 66 ARG CB C 126 30.810 30.611 0.199 1
1 769 . 36 1 1 A 66 66 ARG N N 126 122.760 121.851 0.909 1
1 770 . 36 1 1 A 67 67 LYS H H 127 8.270 8.025 0.245 1
1 771 . 36 1 1 A 67 67 LYS HA H 127 4.260 3.971 0.289 1
1 776 . 36 1 1 A 67 67 LYS C C 127 176.450 176.791 -0.341 1
1 777 . 36 1 1 A 67 67 LYS CA C 127 56.320 57.141 -0.821 1
1 778 . 36 1 1 A 67 67 LYS CB C 127 33.180 30.855 2.325 1
1 782 . 36 1 1 A 67 67 LYS N N 127 123.620 118.731 4.889 1
1 783 . 36 1 1 A 68 68 ARG H H 128 8.340 8.454 -0.114 1
1 784 . 36 1 1 A 68 68 ARG HA H 128 4.270 4.357 -0.087 1
1 788 . 36 1 1 A 68 68 ARG C C 128 176.250 176.313 -0.063 1
1 789 . 36 1 1 A 68 68 ARG CA C 128 56.130 55.858 0.272 1
1 790 . 36 1 1 A 68 68 ARG CB C 128 31.060 30.747 0.313 1
1 793 . 36 1 1 A 68 68 ARG N N 128 123.750 118.086 5.664 1
1 794 . 36 1 1 A 69 69 LYS H H 129 8.450 8.063 0.387 1
1 795 . 36 1 1 A 69 69 LYS HA H 129 4.250 3.982 0.268 1
1 800 . 36 1 1 A 69 69 LYS C C 129 177.010 176.058 0.952 1
1 801 . 36 1 1 A 69 69 LYS CA C 129 57.000 58.588 -1.588 1
1 802 . 36 1 1 A 69 69 LYS CB C 129 32.940 31.037 1.903 1
1 806 . 36 1 1 A 69 69 LYS N N 129 124.580 116.288 8.292 1
1 807 . 36 1 1 A 70 70 GLY H H 130 8.500 7.431 1.069 1
1 808 . 36 1 1 A 70 70 GLY HA2 H 130 3.910 4.098 -0.188 1
1 809 . 36 1 1 A 70 70 GLY HA3 H 130 4.010 4.098 -0.088 1
1 810 . 36 1 1 A 70 70 GLY C C 130 173.360 173.645 -0.285 1
1 811 . 36 1 1 A 70 70 GLY CA C 130 45.370 45.829 -0.459 1
1 812 . 36 1 1 A 70 70 GLY N N 130 112.470 105.683 6.787 1
1 6 . 37 1 1 A 2 2 ASN HA H 62 4.610 4.751 -0.141 1
1 10 . 37 1 1 A 2 2 ASN C C 62 174.760 175.056 -0.296 1
1 11 . 37 1 1 A 2 2 ASN CA C 62 53.100 54.155 -1.055 1
1 12 . 37 1 1 A 2 2 ASN CB C 62 38.790 39.626 -0.836 1
1 14 . 37 1 1 A 3 3 ALA H H 63 8.300 7.669 0.631 1
1 15 . 37 1 1 A 3 3 ALA HA H 63 4.200 4.469 -0.269 1
1 19 . 37 1 1 A 3 3 ALA C C 63 178.180 177.435 0.745 1
1 20 . 37 1 1 A 3 3 ALA CA C 63 53.070 51.200 1.870 1
1 21 . 37 1 1 A 3 3 ALA CB C 63 18.960 21.523 -2.563 1
1 22 . 37 1 1 A 3 3 ALA N N 63 125.390 119.783 5.607 1
1 23 . 37 1 1 A 4 4 GLY H H 64 8.340 8.737 -0.397 1
1 24 . 37 1 1 A 4 4 GLY HA2 H 64 3.800 3.826 -0.026 1
1 25 . 37 1 1 A 4 4 GLY HA3 H 64 3.860 3.838 0.022 1
1 26 . 37 1 1 A 4 4 GLY C C 64 174.010 175.135 -1.125 1
1 27 . 37 1 1 A 4 4 GLY CA C 64 45.350 46.714 -1.364 1
1 28 . 37 1 1 A 4 4 GLY N N 64 109.300 111.685 -2.385 1
1 29 . 37 1 1 A 5 5 GLN H H 65 7.950 7.983 -0.033 1
1 30 . 37 1 1 A 5 5 GLN HA H 65 4.330 4.277 0.053 1
1 35 . 37 1 1 A 5 5 GLN C C 65 175.560 174.657 0.903 1
1 36 . 37 1 1 A 5 5 GLN CA C 65 55.400 56.553 -1.153 1
1 37 . 37 1 1 A 5 5 GLN CB C 65 29.860 29.895 -0.035 1
1 39 . 37 1 1 A 5 5 GLN N N 65 119.540 118.846 0.694 1
1 41 . 37 1 1 A 6 6 LEU H H 66 8.740 8.437 0.303 1
1 42 . 37 1 1 A 6 6 LEU HA H 66 4.610 5.018 -0.408 1
1 52 . 37 1 1 A 6 6 LEU C C 66 175.750 175.294 0.456 1
1 53 . 37 1 1 A 6 6 LEU CA C 66 54.010 53.218 0.792 1
1 54 . 37 1 1 A 6 6 LEU CB C 66 43.490 45.304 -1.814 1
1 58 . 37 1 1 A 6 6 LEU N N 66 126.120 121.130 4.990 1
1 59 . 37 1 1 A 7 7 CYS H H 67 8.470 8.502 -0.032 1
1 60 . 37 1 1 A 7 7 CYS HA H 67 4.140 4.451 -0.311 1
1 63 . 37 1 1 A 7 7 CYS C C 67 175.320 176.076 -0.756 1
1 64 . 37 1 1 A 7 7 CYS CA C 67 60.780 59.697 1.083 1
1 65 . 37 1 1 A 7 7 CYS CB C 67 32.850 28.428 4.422 1
1 66 . 37 1 1 A 7 7 CYS N N 67 123.170 122.495 0.675 1
1 67 . 37 1 1 A 8 8 CYS H H 68 8.170 8.685 -0.515 1
1 68 . 37 1 1 A 8 8 CYS HA H 68 4.280 4.655 -0.375 1
1 72 . 37 1 1 A 8 8 CYS C C 68 172.410 173.931 -1.521 1
1 73 . 37 1 1 A 8 8 CYS CA C 68 58.920 58.432 0.488 1
1 74 . 37 1 1 A 8 8 CYS CB C 68 28.920 28.213 0.707 1
1 75 . 37 1 1 A 8 8 CYS N N 68 124.700 121.929 2.771 1
1 76 . 37 1 1 A 9 9 LEU H H 69 8.180 7.137 1.043 1
1 77 . 37 1 1 A 9 9 LEU HA H 69 4.580 4.705 -0.125 1
1 87 . 37 1 1 A 9 9 LEU C C 69 176.770 175.899 0.871 1
1 88 . 37 1 1 A 9 9 LEU CA C 69 54.760 53.004 1.756 1
1 89 . 37 1 1 A 9 9 LEU CB C 69 43.150 45.357 -2.207 1
1 93 . 37 1 1 A 9 9 LEU N N 69 122.650 122.778 -0.128 1
1 94 . 37 1 1 A 10 10 ARG H H 70 8.880 8.461 0.419 1
1 95 . 37 1 1 A 10 10 ARG HA H 70 4.770 5.149 -0.379 1
1 102 . 37 1 1 A 10 10 ARG C C 70 174.900 174.039 0.861 1
1 103 . 37 1 1 A 10 10 ARG CA C 70 54.710 54.385 0.325 1
1 104 . 37 1 1 A 10 10 ARG CB C 70 33.390 32.693 0.697 1
1 107 . 37 1 1 A 10 10 ARG N N 70 117.650 120.839 -3.189 1
1 108 . 37 1 1 A 11 11 GLU H H 71 8.640 9.361 -0.721 1
1 109 . 37 1 1 A 11 11 GLU HA H 71 5.090 4.828 0.262 1
1 113 . 37 1 1 A 11 11 GLU C C 71 176.070 175.361 0.709 1
1 114 . 37 1 1 A 11 11 GLU CA C 71 54.270 55.113 -0.843 1
1 115 . 37 1 1 A 11 11 GLU CB C 71 32.460 31.244 1.216 1
1 117 . 37 1 1 A 11 11 GLU N N 71 123.910 125.302 -1.392 1
1 118 . 37 1 1 A 12 12 ASP H H 72 9.510 9.233 0.277 1
1 119 . 37 1 1 A 12 12 ASP HA H 72 4.270 4.453 -0.183 1
1 122 . 37 1 1 A 12 12 ASP C C 72 175.890 176.284 -0.394 1
1 123 . 37 1 1 A 12 12 ASP CA C 72 55.880 55.380 0.500 1
1 124 . 37 1 1 A 12 12 ASP CB C 72 39.910 39.658 0.252 1
1 125 . 37 1 1 A 12 12 ASP N N 72 129.440 128.284 1.156 1
1 126 . 37 1 1 A 13 13 GLY H H 73 8.970 8.383 0.587 1
1 127 . 37 1 1 A 13 13 GLY HA2 H 73 3.520 3.850 -0.330 1
1 128 . 37 1 1 A 13 13 GLY HA3 H 73 4.200 3.854 0.346 1
1 129 . 37 1 1 A 13 13 GLY C C 73 173.960 173.634 0.326 1
1 130 . 37 1 1 A 13 13 GLY CA C 73 45.350 45.227 0.123 1
1 131 . 37 1 1 A 13 13 GLY N N 73 103.500 104.298 -0.798 1
1 132 . 37 1 1 A 14 14 GLU H H 74 7.660 7.751 -0.091 1
1 133 . 37 1 1 A 14 14 GLU HA H 74 4.640 4.466 0.174 1
1 138 . 37 1 1 A 14 14 GLU C C 74 176.170 175.769 0.401 1
1 139 . 37 1 1 A 14 14 GLU CA C 74 54.460 55.791 -1.331 1
1 140 . 37 1 1 A 14 14 GLU CB C 74 32.050 30.597 1.453 1
1 142 . 37 1 1 A 14 14 GLU N N 74 121.330 120.502 0.828 1
1 143 . 37 1 1 A 15 15 ARG H H 75 9.000 8.648 0.352 1
1 144 . 37 1 1 A 15 15 ARG HA H 75 4.120 4.384 -0.264 1
1 150 . 37 1 1 A 15 15 ARG C C 75 175.230 175.916 -0.686 1
1 151 . 37 1 1 A 15 15 ARG CA C 75 56.640 55.051 1.589 1
1 152 . 37 1 1 A 15 15 ARG CB C 75 29.720 28.732 0.988 1
1 155 . 37 1 1 A 15 15 ARG N N 75 127.990 124.439 3.551 1
1 156 . 37 1 1 A 16 16 CYS H H 76 8.870 8.662 0.208 1
1 157 . 37 1 1 A 16 16 CYS HA H 76 4.170 4.339 -0.169 1
1 160 . 37 1 1 A 16 16 CYS CA C 76 61.840 61.121 0.719 1
1 161 . 37 1 1 A 16 16 CYS CB C 76 31.150 27.716 3.434 1
1 162 . 37 1 1 A 16 16 CYS N N 76 131.840 125.113 6.727 1
1 163 . 37 1 1 A 17 17 GLY H H 77 8.530 7.856 0.674 1
1 164 . 37 1 1 A 17 17 GLY HA2 H 77 3.680 3.994 -0.314 1
1 165 . 37 1 1 A 17 17 GLY HA3 H 77 4.340 4.020 0.320 1
1 166 . 37 1 1 A 17 17 GLY C C 77 174.620 174.416 0.204 1
1 167 . 37 1 1 A 17 17 GLY CA C 77 45.110 45.258 -0.148 1
1 168 . 37 1 1 A 17 17 GLY N N 77 111.930 108.586 3.344 1
1 169 . 37 1 1 A 18 18 ARG H H 78 8.960 7.819 1.141 1
1 170 . 37 1 1 A 18 18 ARG HA H 78 4.290 4.363 -0.073 1
1 177 . 37 1 1 A 18 18 ARG C C 78 175.270 176.031 -0.761 1
1 178 . 37 1 1 A 18 18 ARG CA C 78 56.350 55.516 0.834 1
1 179 . 37 1 1 A 18 18 ARG CB C 78 31.310 31.014 0.296 1
1 182 . 37 1 1 A 18 18 ARG N N 78 124.390 122.161 2.229 1
1 183 . 37 1 1 A 19 19 ALA H H 79 8.340 8.462 -0.122 1
1 184 . 37 1 1 A 19 19 ALA HA H 79 4.170 4.283 -0.113 1
1 188 . 37 1 1 A 19 19 ALA C C 79 177.620 177.348 0.272 1
1 189 . 37 1 1 A 19 19 ALA CA C 79 52.710 52.290 0.420 1
1 190 . 37 1 1 A 19 19 ALA CB C 79 18.710 19.122 -0.412 1
1 191 . 37 1 1 A 19 19 ALA N N 79 123.880 127.726 -3.846 1
1 192 . 37 1 1 A 20 20 ALA H H 80 8.470 8.988 -0.518 1
1 193 . 37 1 1 A 20 20 ALA HA H 80 3.540 4.417 -0.877 1
1 197 . 37 1 1 A 20 20 ALA C C 80 177.560 177.779 -0.219 1
1 198 . 37 1 1 A 20 20 ALA CA C 80 52.840 52.077 0.763 1
1 199 . 37 1 1 A 20 20 ALA CB C 80 19.050 19.914 -0.864 1
1 200 . 37 1 1 A 20 20 ALA N N 80 124.580 122.836 1.744 1
1 201 . 37 1 1 A 21 21 GLY H H 81 8.090 8.503 -0.413 1
1 202 . 37 1 1 A 21 21 GLY HA2 H 81 3.800 4.206 -0.406 1
1 203 . 37 1 1 A 21 21 GLY HA3 H 81 4.430 4.242 0.188 1
1 204 . 37 1 1 A 21 21 GLY C C 81 173.170 174.192 -1.022 1
1 205 . 37 1 1 A 21 21 GLY CA C 81 44.390 44.887 -0.497 1
1 206 . 37 1 1 A 21 21 GLY N N 81 114.000 106.355 7.645 1
1 207 . 37 1 1 A 22 22 ASN H H 82 8.690 8.747 -0.057 1
1 208 . 37 1 1 A 22 22 ASN HA H 82 4.650 4.866 -0.216 1
1 213 . 37 1 1 A 22 22 ASN C C 82 176.260 175.293 0.967 1
1 214 . 37 1 1 A 22 22 ASN CA C 82 53.580 52.577 1.003 1
1 215 . 37 1 1 A 22 22 ASN CB C 82 39.580 38.989 0.591 1
1 216 . 37 1 1 A 22 22 ASN N N 82 118.160 122.485 -4.325 1
1 218 . 37 1 1 A 23 23 ALA H H 83 8.720 7.562 1.158 1
1 219 . 37 1 1 A 23 23 ALA HA H 83 4.570 4.646 -0.076 1
1 223 . 37 1 1 A 23 23 ALA C C 83 175.910 176.607 -0.697 1
1 224 . 37 1 1 A 23 23 ALA CA C 83 52.340 51.684 0.656 1
1 225 . 37 1 1 A 23 23 ALA CB C 83 19.370 21.248 -1.878 1
1 226 . 37 1 1 A 23 23 ALA N N 83 125.180 122.075 3.105 1
1 227 . 37 1 1 A 24 24 SER H H 84 7.970 8.903 -0.933 1
1 228 . 37 1 1 A 24 24 SER HA H 84 5.310 5.151 0.159 1
1 230 . 37 1 1 A 24 24 SER C C 84 174.620 172.327 2.293 1
1 231 . 37 1 1 A 24 24 SER CA C 84 56.550 56.885 -0.335 1
1 232 . 37 1 1 A 24 24 SER CB C 84 66.420 66.075 0.345 1
1 233 . 37 1 1 A 24 24 SER N N 84 112.840 111.803 1.037 1
1 234 . 37 1 1 A 25 25 PHE H H 85 9.580 8.898 0.682 1
1 235 . 37 1 1 A 25 25 PHE HA H 85 4.320 4.732 -0.412 1
1 241 . 37 1 1 A 25 25 PHE C C 85 173.430 174.652 -1.222 1
1 242 . 37 1 1 A 25 25 PHE CA C 85 57.780 58.348 -0.568 1
1 243 . 37 1 1 A 25 25 PHE CB C 85 38.780 39.698 -0.918 1
1 247 . 37 1 1 A 25 25 PHE N N 85 125.520 124.566 0.954 1
1 248 . 37 1 1 A 26 26 SER H H 86 6.780 8.363 -1.583 1
1 249 . 37 1 1 A 26 26 SER HA H 86 4.430 4.886 -0.456 1
1 252 . 37 1 1 A 26 26 SER C C 86 174.200 174.470 -0.270 1
1 253 . 37 1 1 A 26 26 SER CA C 86 56.610 55.804 0.806 1
1 254 . 37 1 1 A 26 26 SER CB C 86 66.010 66.271 -0.261 1
1 255 . 37 1 1 A 26 26 SER N N 86 118.860 118.785 0.075 1
1 256 . 37 1 1 A 27 27 LYS H H 87 8.710 8.707 0.003 1
1 257 . 37 1 1 A 27 27 LYS HA H 87 3.850 3.845 0.005 1
1 263 . 37 1 1 A 27 27 LYS C C 87 178.490 178.879 -0.389 1
1 264 . 37 1 1 A 27 27 LYS CA C 87 59.390 59.052 0.338 1
1 265 . 37 1 1 A 27 27 LYS CB C 87 31.970 31.999 -0.029 1
1 269 . 37 1 1 A 27 27 LYS N N 87 121.790 118.005 3.785 1
1 270 . 37 1 1 A 28 28 ARG H H 88 8.010 7.701 0.309 1
1 271 . 37 1 1 A 28 28 ARG HA H 88 3.990 4.003 -0.013 1
1 277 . 37 1 1 A 28 28 ARG C C 88 178.890 178.723 0.167 1
1 278 . 37 1 1 A 28 28 ARG CA C 88 59.010 58.570 0.440 1
1 279 . 37 1 1 A 28 28 ARG CB C 88 30.120 29.767 0.353 1
1 282 . 37 1 1 A 28 28 ARG N N 88 119.520 119.307 0.213 1
1 283 . 37 1 1 A 29 29 ILE H H 89 7.350 7.580 -0.230 1
1 284 . 37 1 1 A 29 29 ILE HA H 89 3.680 3.569 0.111 1
1 294 . 37 1 1 A 29 29 ILE C C 89 177.620 177.751 -0.131 1
1 295 . 37 1 1 A 29 29 ILE CA C 89 63.170 65.296 -2.126 1
1 296 . 37 1 1 A 29 29 ILE CB C 89 36.900 37.505 -0.605 1
1 300 . 37 1 1 A 29 29 ILE N N 89 121.980 119.899 2.081 1
1 301 . 37 1 1 A 30 30 GLN H H 90 7.990 7.480 0.510 1
1 302 . 37 1 1 A 30 30 GLN HA H 90 3.630 3.973 -0.343 1
1 308 . 37 1 1 A 30 30 GLN C C 90 178.320 178.228 0.092 1
1 309 . 37 1 1 A 30 30 GLN CA C 90 59.200 59.264 -0.064 1
1 310 . 37 1 1 A 30 30 GLN CB C 90 28.700 28.471 0.229 1
1 312 . 37 1 1 A 30 30 GLN N N 90 121.020 119.390 1.630 1
1 314 . 37 1 1 A 31 31 LYS H H 91 7.990 7.944 0.046 1
1 315 . 37 1 1 A 31 31 LYS HA H 91 4.090 4.054 0.036 1
1 321 . 37 1 1 A 31 31 LYS C C 91 178.650 178.782 -0.132 1
1 322 . 37 1 1 A 31 31 LYS CA C 91 58.720 59.204 -0.484 1
1 323 . 37 1 1 A 31 31 LYS CB C 91 32.220 32.176 0.044 1
1 327 . 37 1 1 A 31 31 LYS N N 91 119.520 120.466 -0.946 1
1 328 . 37 1 1 A 32 32 SER H H 92 7.770 8.094 -0.324 1
1 329 . 37 1 1 A 32 32 SER HA H 92 4.320 4.086 0.234 1
1 332 . 37 1 1 A 32 32 SER C C 92 176.110 175.984 0.126 1
1 333 . 37 1 1 A 32 32 SER CA C 92 61.260 62.149 -0.889 1
1 334 . 37 1 1 A 32 32 SER CB C 92 63.610 62.906 0.704 1
1 335 . 37 1 1 A 32 32 SER N N 92 116.310 116.565 -0.255 1
1 336 . 37 1 1 A 33 33 ILE H H 93 7.960 7.960 0.000 1
1 337 . 37 1 1 A 33 33 ILE HA H 93 3.920 3.714 0.206 1
1 347 . 37 1 1 A 33 33 ILE C C 93 177.480 178.008 -0.528 1
1 348 . 37 1 1 A 33 33 ILE CA C 93 63.610 65.377 -1.767 1
1 349 . 37 1 1 A 33 33 ILE CB C 93 38.330 37.592 0.738 1
1 353 . 37 1 1 A 33 33 ILE N N 93 119.950 122.191 -2.241 1
1 354 . 37 1 1 A 34 34 SER H H 94 7.970 8.378 -0.408 1
1 355 . 37 1 1 A 34 34 SER HA H 94 4.390 4.026 0.364 1
1 357 . 37 1 1 A 34 34 SER C C 94 176.490 177.350 -0.860 1
1 358 . 37 1 1 A 34 34 SER CA C 94 60.560 61.645 -1.085 1
1 359 . 37 1 1 A 34 34 SER CB C 94 63.130 62.956 0.174 1
1 360 . 37 1 1 A 34 34 SER N N 94 117.230 115.256 1.974 1
1 361 . 37 1 1 A 35 35 GLN H H 95 8.220 8.197 0.023 1
1 362 . 37 1 1 A 35 35 GLN HA H 95 4.260 3.921 0.339 1
1 369 . 37 1 1 A 35 35 GLN C C 95 177.050 178.474 -1.424 1
1 370 . 37 1 1 A 35 35 GLN CA C 95 57.360 59.158 -1.798 1
1 371 . 37 1 1 A 35 35 GLN CB C 95 28.900 28.457 0.443 1
1 373 . 37 1 1 A 35 35 GLN N N 95 121.530 120.561 0.969 1
1 375 . 37 1 1 A 36 36 LYS H H 96 7.870 7.683 0.187 1
1 376 . 37 1 1 A 36 36 LYS HA H 96 4.280 4.185 0.095 1
1 383 . 37 1 1 A 36 36 LYS C C 96 176.160 176.568 -0.408 1
1 384 . 37 1 1 A 36 36 LYS CA C 96 56.570 58.127 -1.557 1
1 385 . 37 1 1 A 36 36 LYS CB C 96 33.600 32.720 0.880 1
1 389 . 37 1 1 A 36 36 LYS N N 96 118.550 116.586 1.964 1
1 390 . 37 1 1 A 37 37 LYS H H 97 8.110 8.679 -0.569 1
1 391 . 37 1 1 A 37 37 LYS HA H 97 4.110 3.965 0.145 1
1 396 . 37 1 1 A 37 37 LYS C C 97 176.210 175.110 1.100 1
1 397 . 37 1 1 A 37 37 LYS CA C 97 57.230 57.134 0.096 1
1 398 . 37 1 1 A 37 37 LYS CB C 97 30.580 31.000 -0.420 1
1 402 . 37 1 1 A 37 37 LYS N N 97 117.680 119.401 -1.721 1
1 403 . 37 1 1 A 38 38 VAL H H 98 7.430 7.774 -0.344 1
1 404 . 37 1 1 A 38 38 VAL HA H 98 4.350 4.880 -0.530 1
1 412 . 37 1 1 A 38 38 VAL C C 98 175.830 174.706 1.124 1
1 413 . 37 1 1 A 38 38 VAL CA C 98 60.580 58.519 2.061 1
1 414 . 37 1 1 A 38 38 VAL CB C 98 33.410 35.239 -1.829 1
1 417 . 37 1 1 A 38 38 VAL N N 98 115.860 114.531 1.329 1
1 418 . 37 1 1 A 39 39 LYS H H 99 8.960 8.361 0.599 1
1 419 . 37 1 1 A 39 39 LYS HA H 99 4.430 4.427 0.003 1
1 425 . 37 1 1 A 39 39 LYS C C 99 175.700 174.864 0.836 1
1 426 . 37 1 1 A 39 39 LYS CA C 99 55.420 56.137 -0.717 1
1 427 . 37 1 1 A 39 39 LYS CB C 99 30.580 30.899 -0.319 1
1 431 . 37 1 1 A 39 39 LYS N N 99 127.710 120.665 7.045 1
1 432 . 37 1 1 A 40 40 ILE H H 100 7.660 7.909 -0.249 1
1 433 . 37 1 1 A 40 40 ILE HA H 100 5.020 5.182 -0.162 1
1 443 . 37 1 1 A 40 40 ILE C C 100 174.520 175.102 -0.582 1
1 444 . 37 1 1 A 40 40 ILE CA C 100 59.370 60.766 -1.396 1
1 445 . 37 1 1 A 40 40 ILE CB C 100 40.650 39.977 0.673 1
1 449 . 37 1 1 A 40 40 ILE N N 100 123.140 125.027 -1.887 1
1 450 . 37 1 1 A 41 41 GLU H H 101 8.490 8.977 -0.487 1
1 451 . 37 1 1 A 41 41 GLU HA H 101 4.620 5.053 -0.433 1
1 456 . 37 1 1 A 41 41 GLU C C 101 173.590 174.760 -1.170 1
1 457 . 37 1 1 A 41 41 GLU CA C 101 53.740 54.059 -0.319 1
1 458 . 37 1 1 A 41 41 GLU CB C 101 34.580 32.579 2.001 1
1 460 . 37 1 1 A 41 41 GLU N N 101 123.460 124.687 -1.227 1
1 461 . 37 1 1 A 42 42 LEU H H 102 8.490 8.323 0.167 1
1 462 . 37 1 1 A 42 42 LEU HA H 102 3.790 4.500 -0.710 1
1 472 . 37 1 1 A 42 42 LEU C C 102 176.440 175.644 0.796 1
1 473 . 37 1 1 A 42 42 LEU CA C 102 55.190 53.959 1.231 1
1 474 . 37 1 1 A 42 42 LEU CB C 102 43.100 43.974 -0.874 1
1 478 . 37 1 1 A 42 42 LEU N N 102 123.470 122.635 0.835 1
1 479 . 37 1 1 A 43 43 ASP H H 103 8.770 8.267 0.503 1
1 480 . 37 1 1 A 43 43 ASP HA H 103 4.520 4.604 -0.084 1
1 483 . 37 1 1 A 43 43 ASP C C 103 177.600 176.202 1.398 1
1 484 . 37 1 1 A 43 43 ASP CA C 103 53.740 54.172 -0.432 1
1 485 . 37 1 1 A 43 43 ASP CB C 103 41.880 41.740 0.140 1
1 486 . 37 1 1 A 43 43 ASP N N 103 127.210 125.415 1.795 1
1 487 . 37 1 1 A 44 44 LYS H H 104 8.910 8.946 -0.036 1
1 488 . 37 1 1 A 44 44 LYS HA H 104 3.920 4.266 -0.346 1
1 495 . 37 1 1 A 44 44 LYS C C 104 177.340 177.331 0.009 1
1 496 . 37 1 1 A 44 44 LYS CA C 104 58.930 57.483 1.447 1
1 497 . 37 1 1 A 44 44 LYS CB C 104 32.000 32.737 -0.737 1
1 501 . 37 1 1 A 44 44 LYS N N 104 129.080 127.351 1.729 1
1 502 . 37 1 1 A 45 45 SER H H 105 8.740 7.710 1.030 1
1 503 . 37 1 1 A 45 45 SER HA H 105 4.370 4.489 -0.119 1
1 506 . 37 1 1 A 45 45 SER C C 105 175.040 174.261 0.779 1
1 507 . 37 1 1 A 45 45 SER CA C 105 59.150 58.071 1.079 1
1 508 . 37 1 1 A 45 45 SER CB C 105 63.830 63.455 0.375 1
1 509 . 37 1 1 A 45 45 SER N N 105 115.270 111.256 4.014 1
1 510 . 37 1 1 A 46 46 ALA H H 106 7.430 7.410 0.020 1
1 511 . 37 1 1 A 46 46 ALA HA H 106 4.150 4.292 -0.142 1
1 515 . 37 1 1 A 46 46 ALA CA C 106 53.300 51.974 1.326 1
1 516 . 37 1 1 A 46 46 ALA CB C 106 19.190 20.720 -1.530 1
1 517 . 37 1 1 A 46 46 ALA N N 106 125.120 124.834 0.286 1
1 518 . 37 1 1 A 47 47 ARG HA H 107 4.280 4.719 -0.439 1
1 526 . 37 1 1 A 48 48 HIS HA H 108 4.650 5.183 -0.533 1
1 531 . 37 1 1 A 48 48 HIS C C 108 173.160 172.640 0.520 1
1 532 . 37 1 1 A 48 48 HIS CA C 108 54.990 54.153 0.837 1
1 533 . 37 1 1 A 48 48 HIS CB C 108 33.400 33.190 0.210 1
1 538 . 37 1 1 A 49 49 LEU H H 109 8.030 8.742 -0.712 1
1 539 . 37 1 1 A 49 49 LEU HA H 109 5.040 4.567 0.473 1
1 549 . 37 1 1 A 49 49 LEU CA C 109 54.480 53.727 0.753 1
1 550 . 37 1 1 A 49 49 LEU CB C 109 43.010 42.729 0.281 1
1 554 . 37 1 1 A 49 49 LEU N N 109 120.130 119.954 0.176 1
1 555 . 37 1 1 A 50 50 TYR HA H 110 5.020 5.140 -0.120 1
1 560 . 37 1 1 A 50 50 TYR C C 110 176.960 176.097 0.863 1
1 561 . 37 1 1 A 50 50 TYR CA C 110 60.340 56.773 3.567 1
1 562 . 37 1 1 A 50 50 TYR CB C 110 39.210 40.873 -1.663 1
1 565 . 37 1 1 A 51 51 ILE H H 111 8.510 8.843 -0.333 1
1 566 . 37 1 1 A 51 51 ILE HA H 111 5.960 4.745 1.215 1
1 576 . 37 1 1 A 51 51 ILE C C 111 177.900 176.245 1.655 1
1 577 . 37 1 1 A 51 51 ILE CA C 111 58.100 59.485 -1.385 1
1 578 . 37 1 1 A 51 51 ILE CB C 111 41.370 40.118 1.252 1
1 582 . 37 1 1 A 51 51 ILE N N 111 115.050 120.624 -5.574 1
1 583 . 37 1 1 A 52 52 CYS H H 112 9.830 8.974 0.856 1
1 584 . 37 1 1 A 52 52 CYS HA H 112 5.000 4.966 0.034 1
1 587 . 37 1 1 A 52 52 CYS C C 112 175.420 175.422 -0.002 1
1 588 . 37 1 1 A 52 52 CYS CA C 112 57.770 57.327 0.443 1
1 589 . 37 1 1 A 52 52 CYS CB C 112 33.120 30.273 2.847 1
1 590 . 37 1 1 A 52 52 CYS N N 112 125.820 121.903 3.917 1
1 591 . 37 1 1 A 53 53 ASP H H 113 9.000 9.004 -0.004 1
1 592 . 37 1 1 A 53 53 ASP HA H 113 4.510 4.391 0.119 1
1 594 . 37 1 1 A 53 53 ASP C C 113 178.140 177.573 0.567 1
1 595 . 37 1 1 A 53 53 ASP CA C 113 57.330 57.453 -0.123 1
1 596 . 37 1 1 A 53 53 ASP CB C 113 39.730 40.697 -0.967 1
1 597 . 37 1 1 A 53 53 ASP N N 113 121.960 121.421 0.539 1
1 598 . 37 1 1 A 54 54 TYR H H 114 8.220 8.256 -0.036 1
1 599 . 37 1 1 A 54 54 TYR HA H 114 4.100 4.139 -0.039 1
1 604 . 37 1 1 A 54 54 TYR C C 114 178.410 177.221 1.189 1
1 605 . 37 1 1 A 54 54 TYR CA C 114 61.970 61.929 0.041 1
1 606 . 37 1 1 A 54 54 TYR CB C 114 37.150 38.903 -1.753 1
1 609 . 37 1 1 A 54 54 TYR N N 114 123.510 121.819 1.691 1
1 610 . 37 1 1 A 55 55 HIS H H 115 10.090 7.793 2.297 1
1 611 . 37 1 1 A 55 55 HIS HA H 115 4.040 4.201 -0.161 1
1 616 . 37 1 1 A 55 55 HIS C C 115 177.240 177.590 -0.350 1
1 617 . 37 1 1 A 55 55 HIS CA C 115 63.870 59.406 4.464 1
1 618 . 37 1 1 A 55 55 HIS CB C 115 29.600 29.931 -0.331 1
1 621 . 37 1 1 A 55 55 HIS N N 115 124.830 116.750 8.080 1
1 624 . 37 1 1 A 56 56 LYS H H 116 8.830 8.240 0.590 1
1 625 . 37 1 1 A 56 56 LYS HA H 116 3.720 3.909 -0.189 1
1 633 . 37 1 1 A 56 56 LYS C C 116 178.140 178.703 -0.563 1
1 634 . 37 1 1 A 56 56 LYS CA C 116 60.590 59.993 0.597 1
1 635 . 37 1 1 A 56 56 LYS CB C 116 32.230 32.105 0.125 1
1 639 . 37 1 1 A 56 56 LYS N N 116 123.340 120.947 2.393 1
1 640 . 37 1 1 A 57 57 ASN H H 117 8.140 8.380 -0.240 1
1 641 . 37 1 1 A 57 57 ASN HA H 117 4.340 4.498 -0.158 1
1 646 . 37 1 1 A 57 57 ASN C C 117 177.570 177.434 0.136 1
1 647 . 37 1 1 A 57 57 ASN CA C 117 55.890 55.546 0.344 1
1 648 . 37 1 1 A 57 57 ASN CB C 117 38.070 38.639 -0.569 1
1 649 . 37 1 1 A 57 57 ASN N N 117 116.920 118.230 -1.310 1
1 651 . 37 1 1 A 58 58 LEU H H 118 7.890 7.717 0.173 1
1 652 . 37 1 1 A 58 58 LEU HA H 118 3.930 4.017 -0.087 1
1 662 . 37 1 1 A 58 58 LEU C C 118 179.400 178.942 0.458 1
1 663 . 37 1 1 A 58 58 LEU CA C 118 58.420 57.655 0.765 1
1 664 . 37 1 1 A 58 58 LEU CB C 118 43.170 41.572 1.598 1
1 668 . 37 1 1 A 58 58 LEU N N 118 123.590 119.920 3.670 1
1 669 . 37 1 1 A 59 59 ILE H H 119 8.360 8.117 0.243 1
1 670 . 37 1 1 A 59 59 ILE HA H 119 3.470 3.920 -0.450 1
1 680 . 37 1 1 A 59 59 ILE C C 119 177.290 178.189 -0.899 1
1 681 . 37 1 1 A 59 59 ILE CA C 119 65.260 64.019 1.241 1
1 682 . 37 1 1 A 59 59 ILE CB C 119 38.330 37.376 0.954 1
1 686 . 37 1 1 A 59 59 ILE N N 119 118.630 119.276 -0.646 1
1 687 . 37 1 1 A 60 60 GLN H H 120 7.830 8.317 -0.487 1
1 688 . 37 1 1 A 60 60 GLN HA H 120 4.130 4.006 0.124 1
1 694 . 37 1 1 A 60 60 GLN C C 120 177.240 177.581 -0.341 1
1 695 . 37 1 1 A 60 60 GLN CA C 120 57.750 59.181 -1.431 1
1 696 . 37 1 1 A 60 60 GLN CB C 120 28.910 28.175 0.735 1
1 698 . 37 1 1 A 60 60 GLN N N 120 117.840 120.426 -2.586 1
1 700 . 37 1 1 A 61 61 SER H H 121 7.790 8.035 -0.245 1
1 701 . 37 1 1 A 61 61 SER HA H 121 4.300 4.665 -0.365 1
1 703 . 37 1 1 A 61 61 SER C C 121 175.650 174.798 0.852 1
1 704 . 37 1 1 A 61 61 SER CA C 121 60.090 58.323 1.767 1
1 705 . 37 1 1 A 61 61 SER CB C 121 63.570 62.792 0.778 1
1 706 . 37 1 1 A 61 61 SER N N 121 115.460 113.872 1.588 1
1 707 . 37 1 1 A 62 62 VAL H H 122 8.020 7.713 0.307 1
1 708 . 37 1 1 A 62 62 VAL HA H 122 4.020 4.218 -0.198 1
1 716 . 37 1 1 A 62 62 VAL C C 122 176.960 175.731 1.229 1
1 717 . 37 1 1 A 62 62 VAL CA C 122 63.600 63.388 0.212 1
1 718 . 37 1 1 A 62 62 VAL CB C 122 32.300 34.328 -2.028 1
1 721 . 37 1 1 A 62 62 VAL N N 122 121.600 119.666 1.934 1
1 722 . 37 1 1 A 63 63 ARG H H 123 8.130 7.765 0.365 1
1 723 . 37 1 1 A 63 63 ARG HA H 123 4.190 4.538 -0.348 1
1 729 . 37 1 1 A 63 63 ARG C C 123 176.490 174.305 2.185 1
1 730 . 37 1 1 A 63 63 ARG CA C 123 57.070 55.096 1.974 1
1 731 . 37 1 1 A 63 63 ARG CB C 123 30.780 30.805 -0.025 1
1 734 . 37 1 1 A 63 63 ARG N N 123 122.770 119.442 3.328 1
1 735 . 37 1 1 A 64 64 ASN H H 124 8.210 8.811 -0.601 1
1 736 . 37 1 1 A 64 64 ASN HA H 124 4.650 5.015 -0.365 1
1 741 . 37 1 1 A 64 64 ASN C C 124 175.310 175.426 -0.116 1
1 742 . 37 1 1 A 64 64 ASN CA C 124 53.500 51.620 1.880 1
1 743 . 37 1 1 A 64 64 ASN CB C 124 38.840 38.418 0.422 1
1 744 . 37 1 1 A 64 64 ASN N N 124 119.350 122.286 -2.936 1
1 746 . 37 1 1 A 65 65 ARG H H 125 8.100 8.399 -0.299 1
1 747 . 37 1 1 A 65 65 ARG HA H 125 4.270 4.535 -0.265 1
1 752 . 37 1 1 A 65 65 ARG C C 125 176.310 175.781 0.529 1
1 753 . 37 1 1 A 65 65 ARG CA C 125 56.580 55.602 0.978 1
1 754 . 37 1 1 A 65 65 ARG CB C 125 30.810 31.379 -0.569 1
1 757 . 37 1 1 A 65 65 ARG N N 125 122.230 125.075 -2.845 1
1 758 . 37 1 1 A 66 66 ARG H H 126 8.260 7.633 0.627 1
1 759 . 37 1 1 A 66 66 ARG HA H 126 4.270 4.506 -0.236 1
1 764 . 37 1 1 A 66 66 ARG C C 126 176.210 175.623 0.587 1
1 765 . 37 1 1 A 66 66 ARG CA C 126 56.190 55.033 1.157 1
1 766 . 37 1 1 A 66 66 ARG CB C 126 30.810 30.571 0.239 1
1 769 . 37 1 1 A 66 66 ARG N N 126 122.760 120.952 1.808 1
1 770 . 37 1 1 A 67 67 LYS H H 127 8.270 8.227 0.043 1
1 771 . 37 1 1 A 67 67 LYS HA H 127 4.260 4.545 -0.285 1
1 776 . 37 1 1 A 67 67 LYS C C 127 176.450 176.266 0.184 1
1 777 . 37 1 1 A 67 67 LYS CA C 127 56.320 57.216 -0.896 1
1 778 . 37 1 1 A 67 67 LYS CB C 127 33.180 36.001 -2.821 1
1 782 . 37 1 1 A 67 67 LYS N N 127 123.620 126.562 -2.942 1
1 783 . 37 1 1 A 68 68 ARG H H 128 8.340 7.628 0.712 1
1 784 . 37 1 1 A 68 68 ARG HA H 128 4.270 4.361 -0.091 1
1 788 . 37 1 1 A 68 68 ARG C C 128 176.250 176.304 -0.054 1
1 789 . 37 1 1 A 68 68 ARG CA C 128 56.130 55.639 0.491 1
1 790 . 37 1 1 A 68 68 ARG CB C 128 31.060 31.977 -0.917 1
1 793 . 37 1 1 A 68 68 ARG N N 128 123.750 119.560 4.190 1
1 794 . 37 1 1 A 69 69 LYS H H 129 8.450 8.599 -0.149 1
1 795 . 37 1 1 A 69 69 LYS HA H 129 4.250 4.667 -0.417 1
1 800 . 37 1 1 A 69 69 LYS C C 129 177.010 175.931 1.079 1
1 801 . 37 1 1 A 69 69 LYS CA C 129 57.000 55.104 1.896 1
1 802 . 37 1 1 A 69 69 LYS CB C 129 32.940 33.621 -0.681 1
1 806 . 37 1 1 A 69 69 LYS N N 129 124.580 122.400 2.180 1
1 807 . 37 1 1 A 70 70 GLY H H 130 8.500 8.290 0.210 1
1 808 . 37 1 1 A 70 70 GLY HA2 H 130 3.910 4.178 -0.268 1
1 809 . 37 1 1 A 70 70 GLY HA3 H 130 4.010 4.179 -0.169 1
1 810 . 37 1 1 A 70 70 GLY C C 130 173.360 173.029 0.331 1
1 811 . 37 1 1 A 70 70 GLY CA C 130 45.370 45.250 0.120 1
1 812 . 37 1 1 A 70 70 GLY N N 130 112.470 109.641 2.829 1
1 6 . 38 1 1 A 2 2 ASN HA H 62 4.610 4.611 -0.001 1
1 10 . 38 1 1 A 2 2 ASN C C 62 174.760 174.938 -0.178 1
1 11 . 38 1 1 A 2 2 ASN CA C 62 53.100 53.055 0.045 1
1 12 . 38 1 1 A 2 2 ASN CB C 62 38.790 37.420 1.370 1
1 14 . 38 1 1 A 3 3 ALA H H 63 8.300 8.173 0.127 1
1 15 . 38 1 1 A 3 3 ALA HA H 63 4.200 4.417 -0.217 1
1 19 . 38 1 1 A 3 3 ALA C C 63 178.180 175.978 2.202 1
1 20 . 38 1 1 A 3 3 ALA CA C 63 53.070 50.856 2.214 1
1 21 . 38 1 1 A 3 3 ALA CB C 63 18.960 19.459 -0.499 1
1 22 . 38 1 1 A 3 3 ALA N N 63 125.390 122.366 3.024 1
1 23 . 38 1 1 A 4 4 GLY H H 64 8.340 7.806 0.534 1
1 24 . 38 1 1 A 4 4 GLY HA2 H 64 3.800 4.110 -0.310 1
1 25 . 38 1 1 A 4 4 GLY HA3 H 64 3.860 4.120 -0.260 1
1 26 . 38 1 1 A 4 4 GLY C C 64 174.010 173.471 0.539 1
1 27 . 38 1 1 A 4 4 GLY CA C 64 45.350 45.430 -0.080 1
1 28 . 38 1 1 A 4 4 GLY N N 64 109.300 107.752 1.548 1
1 29 . 38 1 1 A 5 5 GLN H H 65 7.950 8.473 -0.523 1
1 30 . 38 1 1 A 5 5 GLN HA H 65 4.330 4.932 -0.602 1
1 35 . 38 1 1 A 5 5 GLN C C 65 175.560 174.611 0.949 1
1 36 . 38 1 1 A 5 5 GLN CA C 65 55.400 54.220 1.180 1
1 37 . 38 1 1 A 5 5 GLN CB C 65 29.860 32.184 -2.324 1
1 39 . 38 1 1 A 5 5 GLN N N 65 119.540 121.054 -1.514 1
1 41 . 38 1 1 A 6 6 LEU H H 66 8.740 8.974 -0.234 1
1 42 . 38 1 1 A 6 6 LEU HA H 66 4.610 4.999 -0.389 1
1 52 . 38 1 1 A 6 6 LEU C C 66 175.750 175.899 -0.149 1
1 53 . 38 1 1 A 6 6 LEU CA C 66 54.010 53.222 0.788 1
1 54 . 38 1 1 A 6 6 LEU CB C 66 43.490 45.606 -2.116 1
1 58 . 38 1 1 A 6 6 LEU N N 66 126.120 121.399 4.721 1
1 59 . 38 1 1 A 7 7 CYS H H 67 8.470 9.209 -0.739 1
1 60 . 38 1 1 A 7 7 CYS HA H 67 4.140 4.401 -0.261 1
1 63 . 38 1 1 A 7 7 CYS C C 67 175.320 175.522 -0.202 1
1 64 . 38 1 1 A 7 7 CYS CA C 67 60.780 59.994 0.786 1
1 65 . 38 1 1 A 7 7 CYS CB C 67 32.850 28.329 4.521 1
1 66 . 38 1 1 A 7 7 CYS N N 67 123.170 124.106 -0.936 1
1 67 . 38 1 1 A 8 8 CYS H H 68 8.170 8.789 -0.619 1
1 68 . 38 1 1 A 8 8 CYS HA H 68 4.280 4.770 -0.490 1
1 72 . 38 1 1 A 8 8 CYS C C 68 172.410 173.159 -0.749 1
1 73 . 38 1 1 A 8 8 CYS CA C 68 58.920 58.534 0.386 1
1 74 . 38 1 1 A 8 8 CYS CB C 68 28.920 28.088 0.832 1
1 75 . 38 1 1 A 8 8 CYS N N 68 124.700 124.978 -0.278 1
1 76 . 38 1 1 A 9 9 LEU H H 69 8.180 7.197 0.983 1
1 77 . 38 1 1 A 9 9 LEU HA H 69 4.580 4.930 -0.350 1
1 87 . 38 1 1 A 9 9 LEU C C 69 176.770 176.148 0.622 1
1 88 . 38 1 1 A 9 9 LEU CA C 69 54.760 53.127 1.633 1
1 89 . 38 1 1 A 9 9 LEU CB C 69 43.150 45.244 -2.094 1
1 93 . 38 1 1 A 9 9 LEU N N 69 122.650 123.024 -0.374 1
1 94 . 38 1 1 A 10 10 ARG H H 70 8.880 8.473 0.407 1
1 95 . 38 1 1 A 10 10 ARG HA H 70 4.770 5.410 -0.640 1
1 102 . 38 1 1 A 10 10 ARG C C 70 174.900 174.290 0.610 1
1 103 . 38 1 1 A 10 10 ARG CA C 70 54.710 54.435 0.275 1
1 104 . 38 1 1 A 10 10 ARG CB C 70 33.390 32.008 1.382 1
1 107 . 38 1 1 A 10 10 ARG N N 70 117.650 121.054 -3.404 1
1 108 . 38 1 1 A 11 11 GLU H H 71 8.640 9.336 -0.696 1
1 109 . 38 1 1 A 11 11 GLU HA H 71 5.090 4.967 0.123 1
1 113 . 38 1 1 A 11 11 GLU C C 71 176.070 175.420 0.650 1
1 114 . 38 1 1 A 11 11 GLU CA C 71 54.270 55.376 -1.106 1
1 115 . 38 1 1 A 11 11 GLU CB C 71 32.460 31.272 1.188 1
1 117 . 38 1 1 A 11 11 GLU N N 71 123.910 125.932 -2.022 1
1 118 . 38 1 1 A 12 12 ASP H H 72 9.510 9.309 0.201 1
1 119 . 38 1 1 A 12 12 ASP HA H 72 4.270 4.385 -0.115 1
1 122 . 38 1 1 A 12 12 ASP C C 72 175.890 176.236 -0.346 1
1 123 . 38 1 1 A 12 12 ASP CA C 72 55.880 55.281 0.599 1
1 124 . 38 1 1 A 12 12 ASP CB C 72 39.910 39.821 0.089 1
1 125 . 38 1 1 A 12 12 ASP N N 72 129.440 128.152 1.288 1
1 126 . 38 1 1 A 13 13 GLY H H 73 8.970 8.591 0.379 1
1 127 . 38 1 1 A 13 13 GLY HA2 H 73 3.520 3.860 -0.340 1
1 128 . 38 1 1 A 13 13 GLY HA3 H 73 4.200 3.862 0.338 1
1 129 . 38 1 1 A 13 13 GLY C C 73 173.960 173.739 0.221 1
1 130 . 38 1 1 A 13 13 GLY CA C 73 45.350 45.359 -0.009 1
1 131 . 38 1 1 A 13 13 GLY N N 73 103.500 103.334 0.166 1
1 132 . 38 1 1 A 14 14 GLU H H 74 7.660 8.089 -0.429 1
1 133 . 38 1 1 A 14 14 GLU HA H 74 4.640 4.497 0.143 1
1 138 . 38 1 1 A 14 14 GLU C C 74 176.170 175.905 0.265 1
1 139 . 38 1 1 A 14 14 GLU CA C 74 54.460 55.466 -1.006 1
1 140 . 38 1 1 A 14 14 GLU CB C 74 32.050 31.274 0.776 1
1 142 . 38 1 1 A 14 14 GLU N N 74 121.330 120.463 0.867 1
1 143 . 38 1 1 A 15 15 ARG H H 75 9.000 8.806 0.194 1
1 144 . 38 1 1 A 15 15 ARG HA H 75 4.120 4.713 -0.593 1
1 150 . 38 1 1 A 15 15 ARG C C 75 175.230 175.885 -0.655 1
1 151 . 38 1 1 A 15 15 ARG CA C 75 56.640 55.094 1.546 1
1 152 . 38 1 1 A 15 15 ARG CB C 75 29.720 28.564 1.156 1
1 155 . 38 1 1 A 15 15 ARG N N 75 127.990 124.949 3.041 1
1 156 . 38 1 1 A 16 16 CYS H H 76 8.870 8.609 0.261 1
1 157 . 38 1 1 A 16 16 CYS HA H 76 4.170 4.292 -0.122 1
1 160 . 38 1 1 A 16 16 CYS CA C 76 61.840 61.523 0.317 1
1 161 . 38 1 1 A 16 16 CYS CB C 76 31.150 28.217 2.933 1
1 162 . 38 1 1 A 16 16 CYS N N 76 131.840 117.100 14.740 1
1 163 . 38 1 1 A 17 17 GLY H H 77 8.530 8.328 0.202 1
1 164 . 38 1 1 A 17 17 GLY HA2 H 77 3.680 3.956 -0.276 1
1 165 . 38 1 1 A 17 17 GLY HA3 H 77 4.340 3.972 0.368 1
1 166 . 38 1 1 A 17 17 GLY C C 77 174.620 174.142 0.478 1
1 167 . 38 1 1 A 17 17 GLY CA C 77 45.110 45.077 0.033 1
1 168 . 38 1 1 A 17 17 GLY N N 77 111.930 108.625 3.305 1
1 169 . 38 1 1 A 18 18 ARG H H 78 8.960 7.925 1.035 1
1 170 . 38 1 1 A 18 18 ARG HA H 78 4.290 4.324 -0.034 1
1 177 . 38 1 1 A 18 18 ARG C C 78 175.270 175.881 -0.611 1
1 178 . 38 1 1 A 18 18 ARG CA C 78 56.350 55.842 0.508 1
1 179 . 38 1 1 A 18 18 ARG CB C 78 31.310 31.378 -0.068 1
1 182 . 38 1 1 A 18 18 ARG N N 78 124.390 122.316 2.074 1
1 183 . 38 1 1 A 19 19 ALA H H 79 8.340 8.363 -0.023 1
1 184 . 38 1 1 A 19 19 ALA HA H 79 4.170 4.483 -0.313 1
1 188 . 38 1 1 A 19 19 ALA C C 79 177.620 177.467 0.153 1
1 189 . 38 1 1 A 19 19 ALA CA C 79 52.710 52.401 0.309 1
1 190 . 38 1 1 A 19 19 ALA CB C 79 18.710 19.042 -0.332 1
1 191 . 38 1 1 A 19 19 ALA N N 79 123.880 127.101 -3.221 1
1 192 . 38 1 1 A 20 20 ALA H H 80 8.470 8.116 0.354 1
1 193 . 38 1 1 A 20 20 ALA HA H 80 3.540 4.403 -0.863 1
1 197 . 38 1 1 A 20 20 ALA C C 80 177.560 178.157 -0.597 1
1 198 . 38 1 1 A 20 20 ALA CA C 80 52.840 52.225 0.615 1
1 199 . 38 1 1 A 20 20 ALA CB C 80 19.050 19.630 -0.580 1
1 200 . 38 1 1 A 20 20 ALA N N 80 124.580 123.351 1.229 1
1 201 . 38 1 1 A 21 21 GLY H H 81 8.090 8.688 -0.598 1
1 202 . 38 1 1 A 21 21 GLY HA2 H 81 3.800 4.255 -0.455 1
1 203 . 38 1 1 A 21 21 GLY HA3 H 81 4.430 4.289 0.141 1
1 204 . 38 1 1 A 21 21 GLY C C 81 173.170 174.091 -0.921 1
1 205 . 38 1 1 A 21 21 GLY CA C 81 44.390 44.887 -0.497 1
1 206 . 38 1 1 A 21 21 GLY N N 81 114.000 107.858 6.142 1
1 207 . 38 1 1 A 22 22 ASN H H 82 8.690 8.762 -0.072 1
1 208 . 38 1 1 A 22 22 ASN HA H 82 4.650 4.868 -0.218 1
1 213 . 38 1 1 A 22 22 ASN C C 82 176.260 174.526 1.734 1
1 214 . 38 1 1 A 22 22 ASN CA C 82 53.580 52.828 0.752 1
1 215 . 38 1 1 A 22 22 ASN CB C 82 39.580 37.511 2.069 1
1 216 . 38 1 1 A 22 22 ASN N N 82 118.160 117.189 0.971 1
1 218 . 38 1 1 A 23 23 ALA H H 83 8.720 7.732 0.988 1
1 219 . 38 1 1 A 23 23 ALA HA H 83 4.570 4.928 -0.358 1
1 223 . 38 1 1 A 23 23 ALA C C 83 175.910 175.347 0.563 1
1 224 . 38 1 1 A 23 23 ALA CA C 83 52.340 51.517 0.823 1
1 225 . 38 1 1 A 23 23 ALA CB C 83 19.370 23.875 -4.505 1
1 226 . 38 1 1 A 23 23 ALA N N 83 125.180 122.622 2.558 1
1 227 . 38 1 1 A 24 24 SER H H 84 7.970 8.743 -0.773 1
1 228 . 38 1 1 A 24 24 SER HA H 84 5.310 5.418 -0.108 1
1 230 . 38 1 1 A 24 24 SER C C 84 174.620 172.138 2.482 1
1 231 . 38 1 1 A 24 24 SER CA C 84 56.550 57.341 -0.791 1
1 232 . 38 1 1 A 24 24 SER CB C 84 66.420 66.808 -0.388 1
1 233 . 38 1 1 A 24 24 SER N N 84 112.840 115.494 -2.654 1
1 234 . 38 1 1 A 25 25 PHE H H 85 9.580 8.983 0.597 1
1 235 . 38 1 1 A 25 25 PHE HA H 85 4.320 4.928 -0.608 1
1 241 . 38 1 1 A 25 25 PHE C C 85 173.430 174.932 -1.502 1
1 242 . 38 1 1 A 25 25 PHE CA C 85 57.780 56.086 1.694 1
1 243 . 38 1 1 A 25 25 PHE CB C 85 38.780 39.574 -0.794 1
1 247 . 38 1 1 A 25 25 PHE N N 85 125.520 125.811 -0.291 1
1 248 . 38 1 1 A 26 26 SER H H 86 6.780 8.148 -1.368 1
1 249 . 38 1 1 A 26 26 SER HA H 86 4.430 4.833 -0.403 1
1 252 . 38 1 1 A 26 26 SER C C 86 174.200 175.488 -1.288 1
1 253 . 38 1 1 A 26 26 SER CA C 86 56.610 56.256 0.354 1
1 254 . 38 1 1 A 26 26 SER CB C 86 66.010 64.647 1.363 1
1 255 . 38 1 1 A 26 26 SER N N 86 118.860 119.454 -0.594 1
1 256 . 38 1 1 A 27 27 LYS H H 87 8.710 8.842 -0.132 1
1 257 . 38 1 1 A 27 27 LYS HA H 87 3.850 3.833 0.017 1
1 263 . 38 1 1 A 27 27 LYS C C 87 178.490 178.838 -0.348 1
1 264 . 38 1 1 A 27 27 LYS CA C 87 59.390 59.094 0.296 1
1 265 . 38 1 1 A 27 27 LYS CB C 87 31.970 32.097 -0.127 1
1 269 . 38 1 1 A 27 27 LYS N N 87 121.790 118.552 3.238 1
1 270 . 38 1 1 A 28 28 ARG H H 88 8.010 7.750 0.260 1
1 271 . 38 1 1 A 28 28 ARG HA H 88 3.990 3.995 -0.005 1
1 277 . 38 1 1 A 28 28 ARG C C 88 178.890 178.632 0.258 1
1 278 . 38 1 1 A 28 28 ARG CA C 88 59.010 58.754 0.256 1
1 279 . 38 1 1 A 28 28 ARG CB C 88 30.120 29.949 0.171 1
1 282 . 38 1 1 A 28 28 ARG N N 88 119.520 119.249 0.271 1
1 283 . 38 1 1 A 29 29 ILE H H 89 7.350 7.813 -0.463 1
1 284 . 38 1 1 A 29 29 ILE HA H 89 3.680 3.637 0.043 1
1 294 . 38 1 1 A 29 29 ILE C C 89 177.620 177.479 0.141 1
1 295 . 38 1 1 A 29 29 ILE CA C 89 63.170 65.156 -1.986 1
1 296 . 38 1 1 A 29 29 ILE CB C 89 36.900 37.364 -0.464 1
1 300 . 38 1 1 A 29 29 ILE N N 89 121.980 120.193 1.787 1
1 301 . 38 1 1 A 30 30 GLN H H 90 7.990 7.529 0.461 1
1 302 . 38 1 1 A 30 30 GLN HA H 90 3.630 3.941 -0.311 1
1 308 . 38 1 1 A 30 30 GLN C C 90 178.320 178.169 0.151 1
1 309 . 38 1 1 A 30 30 GLN CA C 90 59.200 59.028 0.172 1
1 310 . 38 1 1 A 30 30 GLN CB C 90 28.700 28.086 0.614 1
1 312 . 38 1 1 A 30 30 GLN N N 90 121.020 119.953 1.067 1
1 314 . 38 1 1 A 31 31 LYS H H 91 7.990 8.150 -0.160 1
1 315 . 38 1 1 A 31 31 LYS HA H 91 4.090 4.022 0.068 1
1 321 . 38 1 1 A 31 31 LYS C C 91 178.650 178.509 0.141 1
1 322 . 38 1 1 A 31 31 LYS CA C 91 58.720 59.371 -0.651 1
1 323 . 38 1 1 A 31 31 LYS CB C 91 32.220 32.306 -0.086 1
1 327 . 38 1 1 A 31 31 LYS N N 91 119.520 119.522 -0.002 1
1 328 . 38 1 1 A 32 32 SER H H 92 7.770 7.911 -0.141 1
1 329 . 38 1 1 A 32 32 SER HA H 92 4.320 4.156 0.164 1
1 332 . 38 1 1 A 32 32 SER C C 92 176.110 177.054 -0.944 1
1 333 . 38 1 1 A 32 32 SER CA C 92 61.260 61.378 -0.118 1
1 334 . 38 1 1 A 32 32 SER CB C 92 63.610 62.992 0.618 1
1 335 . 38 1 1 A 32 32 SER N N 92 116.310 113.969 2.341 1
1 336 . 38 1 1 A 33 33 ILE H H 93 7.960 7.849 0.111 1
1 337 . 38 1 1 A 33 33 ILE HA H 93 3.920 3.785 0.135 1
1 347 . 38 1 1 A 33 33 ILE C C 93 177.480 177.915 -0.435 1
1 348 . 38 1 1 A 33 33 ILE CA C 93 63.610 64.309 -0.699 1
1 349 . 38 1 1 A 33 33 ILE CB C 93 38.330 37.539 0.791 1
1 353 . 38 1 1 A 33 33 ILE N N 93 119.950 122.266 -2.316 1
1 354 . 38 1 1 A 34 34 SER H H 94 7.970 8.168 -0.198 1
1 355 . 38 1 1 A 34 34 SER HA H 94 4.390 4.079 0.311 1
1 357 . 38 1 1 A 34 34 SER C C 94 176.490 175.857 0.633 1
1 358 . 38 1 1 A 34 34 SER CA C 94 60.560 62.108 -1.548 1
1 359 . 38 1 1 A 34 34 SER CB C 94 63.130 62.914 0.216 1
1 360 . 38 1 1 A 34 34 SER N N 94 117.230 116.002 1.228 1
1 361 . 38 1 1 A 35 35 GLN H H 95 8.220 8.120 0.100 1
1 362 . 38 1 1 A 35 35 GLN HA H 95 4.260 4.083 0.177 1
1 369 . 38 1 1 A 35 35 GLN C C 95 177.050 178.477 -1.427 1
1 370 . 38 1 1 A 35 35 GLN CA C 95 57.360 58.450 -1.090 1
1 371 . 38 1 1 A 35 35 GLN CB C 95 28.900 28.324 0.576 1
1 373 . 38 1 1 A 35 35 GLN N N 95 121.530 121.189 0.341 1
1 375 . 38 1 1 A 36 36 LYS H H 96 7.870 7.327 0.543 1
1 376 . 38 1 1 A 36 36 LYS HA H 96 4.280 4.150 0.130 1
1 383 . 38 1 1 A 36 36 LYS C C 96 176.160 176.491 -0.331 1
1 384 . 38 1 1 A 36 36 LYS CA C 96 56.570 58.631 -2.061 1
1 385 . 38 1 1 A 36 36 LYS CB C 96 33.600 32.995 0.605 1
1 389 . 38 1 1 A 36 36 LYS N N 96 118.550 116.696 1.854 1
1 390 . 38 1 1 A 37 37 LYS H H 97 8.110 8.900 -0.790 1
1 391 . 38 1 1 A 37 37 LYS HA H 97 4.110 3.864 0.246 1
1 396 . 38 1 1 A 37 37 LYS C C 97 176.210 175.256 0.954 1
1 397 . 38 1 1 A 37 37 LYS CA C 97 57.230 57.078 0.152 1
1 398 . 38 1 1 A 37 37 LYS CB C 97 30.580 30.099 0.481 1
1 402 . 38 1 1 A 37 37 LYS N N 97 117.680 116.553 1.127 1
1 403 . 38 1 1 A 38 38 VAL H H 98 7.430 7.816 -0.386 1
1 404 . 38 1 1 A 38 38 VAL HA H 98 4.350 4.851 -0.501 1
1 412 . 38 1 1 A 38 38 VAL C C 98 175.830 174.964 0.866 1
1 413 . 38 1 1 A 38 38 VAL CA C 98 60.580 58.732 1.848 1
1 414 . 38 1 1 A 38 38 VAL CB C 98 33.410 35.080 -1.670 1
1 417 . 38 1 1 A 38 38 VAL N N 98 115.860 114.604 1.256 1
1 418 . 38 1 1 A 39 39 LYS H H 99 8.960 8.457 0.503 1
1 419 . 38 1 1 A 39 39 LYS HA H 99 4.430 4.433 -0.003 1
1 425 . 38 1 1 A 39 39 LYS C C 99 175.700 174.474 1.226 1
1 426 . 38 1 1 A 39 39 LYS CA C 99 55.420 56.133 -0.713 1
1 427 . 38 1 1 A 39 39 LYS CB C 99 30.580 30.700 -0.120 1
1 431 . 38 1 1 A 39 39 LYS N N 99 127.710 119.486 8.224 1
1 432 . 38 1 1 A 40 40 ILE H H 100 7.660 7.637 0.023 1
1 433 . 38 1 1 A 40 40 ILE HA H 100 5.020 5.102 -0.082 1
1 443 . 38 1 1 A 40 40 ILE C C 100 174.520 174.719 -0.199 1
1 444 . 38 1 1 A 40 40 ILE CA C 100 59.370 59.626 -0.256 1
1 445 . 38 1 1 A 40 40 ILE CB C 100 40.650 40.411 0.239 1
1 449 . 38 1 1 A 40 40 ILE N N 100 123.140 123.566 -0.426 1
1 450 . 38 1 1 A 41 41 GLU H H 101 8.490 8.921 -0.431 1
1 451 . 38 1 1 A 41 41 GLU HA H 101 4.620 4.845 -0.225 1
1 456 . 38 1 1 A 41 41 GLU C C 101 173.590 173.265 0.325 1
1 457 . 38 1 1 A 41 41 GLU CA C 101 53.740 54.533 -0.793 1
1 458 . 38 1 1 A 41 41 GLU CB C 101 34.580 33.121 1.459 1
1 460 . 38 1 1 A 41 41 GLU N N 101 123.460 124.737 -1.277 1
1 461 . 38 1 1 A 42 42 LEU H H 102 8.490 8.669 -0.179 1
1 462 . 38 1 1 A 42 42 LEU HA H 102 3.790 4.929 -1.139 1
1 472 . 38 1 1 A 42 42 LEU C C 102 176.440 174.668 1.772 1
1 473 . 38 1 1 A 42 42 LEU CA C 102 55.190 53.238 1.952 1
1 474 . 38 1 1 A 42 42 LEU CB C 102 43.100 44.657 -1.557 1
1 478 . 38 1 1 A 42 42 LEU N N 102 123.470 122.266 1.204 1
1 479 . 38 1 1 A 43 43 ASP H H 103 8.770 8.433 0.337 1
1 480 . 38 1 1 A 43 43 ASP HA H 103 4.520 4.619 -0.099 1
1 483 . 38 1 1 A 43 43 ASP C C 103 177.600 176.476 1.124 1
1 484 . 38 1 1 A 43 43 ASP CA C 103 53.740 54.378 -0.638 1
1 485 . 38 1 1 A 43 43 ASP CB C 103 41.880 42.580 -0.700 1
1 486 . 38 1 1 A 43 43 ASP N N 103 127.210 125.600 1.610 1
1 487 . 38 1 1 A 44 44 LYS H H 104 8.910 9.145 -0.235 1
1 488 . 38 1 1 A 44 44 LYS HA H 104 3.920 4.353 -0.433 1
1 495 . 38 1 1 A 44 44 LYS C C 104 177.340 177.376 -0.036 1
1 496 . 38 1 1 A 44 44 LYS CA C 104 58.930 56.641 2.289 1
1 497 . 38 1 1 A 44 44 LYS CB C 104 32.000 32.619 -0.619 1
1 501 . 38 1 1 A 44 44 LYS N N 104 129.080 126.897 2.183 1
1 502 . 38 1 1 A 45 45 SER H H 105 8.740 7.715 1.025 1
1 503 . 38 1 1 A 45 45 SER HA H 105 4.370 4.419 -0.049 1
1 506 . 38 1 1 A 45 45 SER C C 105 175.040 174.888 0.152 1
1 507 . 38 1 1 A 45 45 SER CA C 105 59.150 58.421 0.729 1
1 508 . 38 1 1 A 45 45 SER CB C 105 63.830 63.833 -0.003 1
1 509 . 38 1 1 A 45 45 SER N N 105 115.270 112.222 3.048 1
1 510 . 38 1 1 A 46 46 ALA H H 106 7.430 7.343 0.087 1
1 511 . 38 1 1 A 46 46 ALA HA H 106 4.150 4.213 -0.063 1
1 515 . 38 1 1 A 46 46 ALA CA C 106 53.300 51.308 1.992 1
1 516 . 38 1 1 A 46 46 ALA CB C 106 19.190 19.779 -0.589 1
1 517 . 38 1 1 A 46 46 ALA N N 106 125.120 125.597 -0.477 1
1 518 . 38 1 1 A 47 47 ARG HA H 107 4.280 4.598 -0.318 1
1 526 . 38 1 1 A 48 48 HIS HA H 108 4.650 4.803 -0.153 1
1 531 . 38 1 1 A 48 48 HIS C C 108 173.160 172.552 0.608 1
1 532 . 38 1 1 A 48 48 HIS CA C 108 54.990 54.697 0.293 1
1 533 . 38 1 1 A 48 48 HIS CB C 108 33.400 31.386 2.014 1
1 538 . 38 1 1 A 49 49 LEU H H 109 8.030 8.493 -0.463 1
1 539 . 38 1 1 A 49 49 LEU HA H 109 5.040 4.697 0.343 1
1 549 . 38 1 1 A 49 49 LEU CA C 109 54.480 53.727 0.753 1
1 550 . 38 1 1 A 49 49 LEU CB C 109 43.010 42.744 0.266 1
1 554 . 38 1 1 A 49 49 LEU N N 109 120.130 119.104 1.026 1
1 555 . 38 1 1 A 50 50 TYR HA H 110 5.020 5.332 -0.312 1
1 560 . 38 1 1 A 50 50 TYR C C 110 176.960 175.908 1.052 1
1 561 . 38 1 1 A 50 50 TYR CA C 110 60.340 56.389 3.951 1
1 562 . 38 1 1 A 50 50 TYR CB C 110 39.210 40.043 -0.833 1
1 565 . 38 1 1 A 51 51 ILE H H 111 8.510 8.683 -0.173 1
1 566 . 38 1 1 A 51 51 ILE HA H 111 5.960 4.584 1.376 1
1 576 . 38 1 1 A 51 51 ILE C C 111 177.900 176.226 1.674 1
1 577 . 38 1 1 A 51 51 ILE CA C 111 58.100 59.834 -1.734 1
1 578 . 38 1 1 A 51 51 ILE CB C 111 41.370 40.410 0.960 1
1 582 . 38 1 1 A 51 51 ILE N N 111 115.050 121.613 -6.563 1
1 583 . 38 1 1 A 52 52 CYS H H 112 9.830 8.914 0.916 1
1 584 . 38 1 1 A 52 52 CYS HA H 112 5.000 4.879 0.121 1
1 587 . 38 1 1 A 52 52 CYS C C 112 175.420 175.856 -0.436 1
1 588 . 38 1 1 A 52 52 CYS CA C 112 57.770 57.356 0.414 1
1 589 . 38 1 1 A 52 52 CYS CB C 112 33.120 29.630 3.490 1
1 590 . 38 1 1 A 52 52 CYS N N 112 125.820 121.880 3.940 1
1 591 . 38 1 1 A 53 53 ASP H H 113 9.000 8.889 0.111 1
1 592 . 38 1 1 A 53 53 ASP HA H 113 4.510 4.350 0.160 1
1 594 . 38 1 1 A 53 53 ASP C C 113 178.140 178.176 -0.036 1
1 595 . 38 1 1 A 53 53 ASP CA C 113 57.330 57.374 -0.044 1
1 596 . 38 1 1 A 53 53 ASP CB C 113 39.730 40.675 -0.945 1
1 597 . 38 1 1 A 53 53 ASP N N 113 121.960 120.439 1.521 1
1 598 . 38 1 1 A 54 54 TYR H H 114 8.220 8.206 0.014 1
1 599 . 38 1 1 A 54 54 TYR HA H 114 4.100 4.107 -0.007 1
1 604 . 38 1 1 A 54 54 TYR C C 114 178.410 177.157 1.253 1
1 605 . 38 1 1 A 54 54 TYR CA C 114 61.970 61.660 0.310 1
1 606 . 38 1 1 A 54 54 TYR CB C 114 37.150 38.601 -1.451 1
1 609 . 38 1 1 A 54 54 TYR N N 114 123.510 122.001 1.509 1
1 610 . 38 1 1 A 55 55 HIS H H 115 10.090 7.713 2.377 1
1 611 . 38 1 1 A 55 55 HIS HA H 115 4.040 3.978 0.062 1
1 616 . 38 1 1 A 55 55 HIS C C 115 177.240 177.485 -0.245 1
1 617 . 38 1 1 A 55 55 HIS CA C 115 63.870 59.707 4.163 1
1 618 . 38 1 1 A 55 55 HIS CB C 115 29.600 29.793 -0.193 1
1 621 . 38 1 1 A 55 55 HIS N N 115 124.830 117.033 7.797 1
1 624 . 38 1 1 A 56 56 LYS H H 116 8.830 8.066 0.764 1
1 625 . 38 1 1 A 56 56 LYS HA H 116 3.720 3.869 -0.149 1
1 633 . 38 1 1 A 56 56 LYS C C 116 178.140 178.818 -0.678 1
1 634 . 38 1 1 A 56 56 LYS CA C 116 60.590 59.987 0.603 1
1 635 . 38 1 1 A 56 56 LYS CB C 116 32.230 32.566 -0.336 1
1 639 . 38 1 1 A 56 56 LYS N N 116 123.340 120.597 2.743 1
1 640 . 38 1 1 A 57 57 ASN H H 117 8.140 8.270 -0.130 1
1 641 . 38 1 1 A 57 57 ASN HA H 117 4.340 4.486 -0.146 1
1 646 . 38 1 1 A 57 57 ASN C C 117 177.570 177.323 0.247 1
1 647 . 38 1 1 A 57 57 ASN CA C 117 55.890 56.658 -0.768 1
1 648 . 38 1 1 A 57 57 ASN CB C 117 38.070 39.056 -0.986 1
1 649 . 38 1 1 A 57 57 ASN N N 117 116.920 118.400 -1.480 1
1 651 . 38 1 1 A 58 58 LEU H H 118 7.890 7.904 -0.014 1
1 652 . 38 1 1 A 58 58 LEU HA H 118 3.930 3.980 -0.050 1
1 662 . 38 1 1 A 58 58 LEU C C 118 179.400 178.742 0.658 1
1 663 . 38 1 1 A 58 58 LEU CA C 118 58.420 58.242 0.178 1
1 664 . 38 1 1 A 58 58 LEU CB C 118 43.170 41.140 2.030 1
1 668 . 38 1 1 A 58 58 LEU N N 118 123.590 120.208 3.382 1
1 669 . 38 1 1 A 59 59 ILE H H 119 8.360 8.285 0.075 1
1 670 . 38 1 1 A 59 59 ILE HA H 119 3.470 3.782 -0.312 1
1 680 . 38 1 1 A 59 59 ILE C C 119 177.290 178.863 -1.573 1
1 681 . 38 1 1 A 59 59 ILE CA C 119 65.260 64.603 0.657 1
1 682 . 38 1 1 A 59 59 ILE CB C 119 38.330 37.767 0.563 1
1 686 . 38 1 1 A 59 59 ILE N N 119 118.630 119.453 -0.823 1
1 687 . 38 1 1 A 60 60 GLN H H 120 7.830 8.360 -0.530 1
1 688 . 38 1 1 A 60 60 GLN HA H 120 4.130 4.135 -0.005 1
1 694 . 38 1 1 A 60 60 GLN C C 120 177.240 176.809 0.431 1
1 695 . 38 1 1 A 60 60 GLN CA C 120 57.750 58.337 -0.587 1
1 696 . 38 1 1 A 60 60 GLN CB C 120 28.910 28.717 0.193 1
1 698 . 38 1 1 A 60 60 GLN N N 120 117.840 120.104 -2.264 1
1 700 . 38 1 1 A 61 61 SER H H 121 7.790 7.659 0.131 1
1 701 . 38 1 1 A 61 61 SER HA H 121 4.300 4.534 -0.234 1
1 703 . 38 1 1 A 61 61 SER C C 121 175.650 175.072 0.578 1
1 704 . 38 1 1 A 61 61 SER CA C 121 60.090 57.784 2.306 1
1 705 . 38 1 1 A 61 61 SER CB C 121 63.570 62.423 1.147 1
1 706 . 38 1 1 A 61 61 SER N N 121 115.460 114.513 0.947 1
1 707 . 38 1 1 A 62 62 VAL H H 122 8.020 7.834 0.186 1
1 708 . 38 1 1 A 62 62 VAL HA H 122 4.020 4.238 -0.218 1
1 716 . 38 1 1 A 62 62 VAL C C 122 176.960 176.432 0.528 1
1 717 . 38 1 1 A 62 62 VAL CA C 122 63.600 63.441 0.159 1
1 718 . 38 1 1 A 62 62 VAL CB C 122 32.300 34.039 -1.739 1
1 721 . 38 1 1 A 62 62 VAL N N 122 121.600 122.159 -0.559 1
1 722 . 38 1 1 A 63 63 ARG H H 123 8.130 8.069 0.061 1
1 723 . 38 1 1 A 63 63 ARG HA H 123 4.190 4.527 -0.337 1
1 729 . 38 1 1 A 63 63 ARG C C 123 176.490 176.286 0.204 1
1 730 . 38 1 1 A 63 63 ARG CA C 123 57.070 55.040 2.030 1
1 731 . 38 1 1 A 63 63 ARG CB C 123 30.780 28.600 2.180 1
1 734 . 38 1 1 A 63 63 ARG N N 123 122.770 119.247 3.523 1
1 735 . 38 1 1 A 64 64 ASN H H 124 8.210 8.548 -0.338 1
1 736 . 38 1 1 A 64 64 ASN HA H 124 4.650 4.565 0.085 1
1 741 . 38 1 1 A 64 64 ASN C C 124 175.310 175.291 0.019 1
1 742 . 38 1 1 A 64 64 ASN CA C 124 53.500 53.227 0.273 1
1 743 . 38 1 1 A 64 64 ASN CB C 124 38.840 37.515 1.325 1
1 744 . 38 1 1 A 64 64 ASN N N 124 119.350 118.820 0.530 1
1 746 . 38 1 1 A 65 65 ARG H H 125 8.100 8.694 -0.594 1
1 747 . 38 1 1 A 65 65 ARG HA H 125 4.270 4.528 -0.258 1
1 752 . 38 1 1 A 65 65 ARG C C 125 176.310 175.514 0.796 1
1 753 . 38 1 1 A 65 65 ARG CA C 125 56.580 56.580 0.000 1
1 754 . 38 1 1 A 65 65 ARG CB C 125 30.810 32.297 -1.487 1
1 757 . 38 1 1 A 65 65 ARG N N 125 122.230 119.668 2.562 1
1 758 . 38 1 1 A 66 66 ARG H H 126 8.260 7.856 0.404 1
1 759 . 38 1 1 A 66 66 ARG HA H 126 4.270 4.670 -0.400 1
1 764 . 38 1 1 A 66 66 ARG C C 126 176.210 175.009 1.201 1
1 765 . 38 1 1 A 66 66 ARG CA C 126 56.190 54.513 1.677 1
1 766 . 38 1 1 A 66 66 ARG CB C 126 30.810 33.242 -2.432 1
1 769 . 38 1 1 A 66 66 ARG N N 126 122.760 118.709 4.051 1
1 770 . 38 1 1 A 67 67 LYS H H 127 8.270 8.762 -0.492 1
1 771 . 38 1 1 A 67 67 LYS HA H 127 4.260 4.023 0.237 1
1 776 . 38 1 1 A 67 67 LYS C C 127 176.450 175.717 0.733 1
1 777 . 38 1 1 A 67 67 LYS CA C 127 56.320 57.437 -1.117 1
1 778 . 38 1 1 A 67 67 LYS CB C 127 33.180 30.350 2.830 1
1 782 . 38 1 1 A 67 67 LYS N N 127 123.620 117.340 6.280 1
1 783 . 38 1 1 A 68 68 ARG H H 128 8.340 7.746 0.594 1
1 784 . 38 1 1 A 68 68 ARG HA H 128 4.270 4.575 -0.305 1
1 788 . 38 1 1 A 68 68 ARG C C 128 176.250 177.212 -0.962 1
1 789 . 38 1 1 A 68 68 ARG CA C 128 56.130 57.560 -1.430 1
1 790 . 38 1 1 A 68 68 ARG CB C 128 31.060 31.516 -0.456 1
1 793 . 38 1 1 A 68 68 ARG N N 128 123.750 118.675 5.075 1
1 794 . 38 1 1 A 69 69 LYS H H 129 8.450 8.144 0.306 1
1 795 . 38 1 1 A 69 69 LYS HA H 129 4.250 4.130 0.120 1
1 800 . 38 1 1 A 69 69 LYS C C 129 177.010 176.050 0.960 1
1 801 . 38 1 1 A 69 69 LYS CA C 129 57.000 59.595 -2.595 1
1 802 . 38 1 1 A 69 69 LYS CB C 129 32.940 32.316 0.624 1
1 806 . 38 1 1 A 69 69 LYS N N 129 124.580 118.763 5.817 1
1 807 . 38 1 1 A 70 70 GLY H H 130 8.500 7.602 0.898 1
1 808 . 38 1 1 A 70 70 GLY HA2 H 130 3.910 4.053 -0.143 1
1 809 . 38 1 1 A 70 70 GLY HA3 H 130 4.010 4.053 -0.043 1
1 810 . 38 1 1 A 70 70 GLY C C 130 173.360 174.160 -0.800 1
1 811 . 38 1 1 A 70 70 GLY CA C 130 45.370 45.789 -0.419 1
1 812 . 38 1 1 A 70 70 GLY N N 130 112.470 106.592 5.878 1
1 6 . 39 1 1 A 2 2 ASN HA H 62 4.610 4.838 -0.228 1
1 10 . 39 1 1 A 2 2 ASN C C 62 174.760 173.283 1.477 1
1 11 . 39 1 1 A 2 2 ASN CA C 62 53.100 52.929 0.171 1
1 12 . 39 1 1 A 2 2 ASN CB C 62 38.790 37.124 1.666 1
1 14 . 39 1 1 A 3 3 ALA H H 63 8.300 7.715 0.585 1
1 15 . 39 1 1 A 3 3 ALA HA H 63 4.200 4.804 -0.604 1
1 19 . 39 1 1 A 3 3 ALA C C 63 178.180 176.173 2.007 1
1 20 . 39 1 1 A 3 3 ALA CA C 63 53.070 51.853 1.217 1
1 21 . 39 1 1 A 3 3 ALA CB C 63 18.960 20.989 -2.029 1
1 22 . 39 1 1 A 3 3 ALA N N 63 125.390 119.889 5.501 1
1 23 . 39 1 1 A 4 4 GLY H H 64 8.340 8.388 -0.048 1
1 24 . 39 1 1 A 4 4 GLY HA2 H 64 3.800 4.171 -0.371 1
1 25 . 39 1 1 A 4 4 GLY HA3 H 64 3.860 4.190 -0.330 1
1 26 . 39 1 1 A 4 4 GLY C C 64 174.010 172.782 1.228 1
1 27 . 39 1 1 A 4 4 GLY CA C 64 45.350 46.059 -0.709 1
1 28 . 39 1 1 A 4 4 GLY N N 64 109.300 109.241 0.059 1
1 29 . 39 1 1 A 5 5 GLN H H 65 7.950 8.059 -0.109 1
1 30 . 39 1 1 A 5 5 GLN HA H 65 4.330 4.655 -0.325 1
1 35 . 39 1 1 A 5 5 GLN C C 65 175.560 174.705 0.855 1
1 36 . 39 1 1 A 5 5 GLN CA C 65 55.400 55.281 0.119 1
1 37 . 39 1 1 A 5 5 GLN CB C 65 29.860 30.733 -0.873 1
1 39 . 39 1 1 A 5 5 GLN N N 65 119.540 120.018 -0.478 1
1 41 . 39 1 1 A 6 6 LEU H H 66 8.740 8.819 -0.079 1
1 42 . 39 1 1 A 6 6 LEU HA H 66 4.610 5.112 -0.502 1
1 52 . 39 1 1 A 6 6 LEU C C 66 175.750 174.676 1.074 1
1 53 . 39 1 1 A 6 6 LEU CA C 66 54.010 53.403 0.607 1
1 54 . 39 1 1 A 6 6 LEU CB C 66 43.490 46.392 -2.902 1
1 58 . 39 1 1 A 6 6 LEU N N 66 126.120 119.966 6.154 1
1 59 . 39 1 1 A 7 7 CYS H H 67 8.470 8.466 0.004 1
1 60 . 39 1 1 A 7 7 CYS HA H 67 4.140 4.741 -0.601 1
1 63 . 39 1 1 A 7 7 CYS C C 67 175.320 176.206 -0.886 1
1 64 . 39 1 1 A 7 7 CYS CA C 67 60.780 59.481 1.299 1
1 65 . 39 1 1 A 7 7 CYS CB C 67 32.850 28.547 4.303 1
1 66 . 39 1 1 A 7 7 CYS N N 67 123.170 120.897 2.273 1
1 67 . 39 1 1 A 8 8 CYS H H 68 8.170 8.660 -0.490 1
1 68 . 39 1 1 A 8 8 CYS HA H 68 4.280 4.692 -0.412 1
1 72 . 39 1 1 A 8 8 CYS C C 68 172.410 174.339 -1.929 1
1 73 . 39 1 1 A 8 8 CYS CA C 68 58.920 58.374 0.546 1
1 74 . 39 1 1 A 8 8 CYS CB C 68 28.920 27.428 1.492 1
1 75 . 39 1 1 A 8 8 CYS N N 68 124.700 122.724 1.976 1
1 76 . 39 1 1 A 9 9 LEU H H 69 8.180 7.194 0.986 1
1 77 . 39 1 1 A 9 9 LEU HA H 69 4.580 4.675 -0.095 1
1 87 . 39 1 1 A 9 9 LEU C C 69 176.770 176.120 0.650 1
1 88 . 39 1 1 A 9 9 LEU CA C 69 54.760 52.923 1.837 1
1 89 . 39 1 1 A 9 9 LEU CB C 69 43.150 45.074 -1.924 1
1 93 . 39 1 1 A 9 9 LEU N N 69 122.650 122.844 -0.194 1
1 94 . 39 1 1 A 10 10 ARG H H 70 8.880 8.282 0.598 1
1 95 . 39 1 1 A 10 10 ARG HA H 70 4.770 5.383 -0.613 1
1 102 . 39 1 1 A 10 10 ARG C C 70 174.900 174.068 0.832 1
1 103 . 39 1 1 A 10 10 ARG CA C 70 54.710 54.299 0.411 1
1 104 . 39 1 1 A 10 10 ARG CB C 70 33.390 32.003 1.387 1
1 107 . 39 1 1 A 10 10 ARG N N 70 117.650 120.712 -3.062 1
1 108 . 39 1 1 A 11 11 GLU H H 71 8.640 9.162 -0.522 1
1 109 . 39 1 1 A 11 11 GLU HA H 71 5.090 4.696 0.394 1
1 113 . 39 1 1 A 11 11 GLU C C 71 176.070 175.280 0.790 1
1 114 . 39 1 1 A 11 11 GLU CA C 71 54.270 55.105 -0.835 1
1 115 . 39 1 1 A 11 11 GLU CB C 71 32.460 31.038 1.422 1
1 117 . 39 1 1 A 11 11 GLU N N 71 123.910 125.897 -1.987 1
1 118 . 39 1 1 A 12 12 ASP H H 72 9.510 9.063 0.447 1
1 119 . 39 1 1 A 12 12 ASP HA H 72 4.270 4.492 -0.222 1
1 122 . 39 1 1 A 12 12 ASP C C 72 175.890 176.445 -0.555 1
1 123 . 39 1 1 A 12 12 ASP CA C 72 55.880 55.398 0.482 1
1 124 . 39 1 1 A 12 12 ASP CB C 72 39.910 39.757 0.153 1
1 125 . 39 1 1 A 12 12 ASP N N 72 129.440 128.080 1.360 1
1 126 . 39 1 1 A 13 13 GLY H H 73 8.970 8.677 0.293 1
1 127 . 39 1 1 A 13 13 GLY HA2 H 73 3.520 3.852 -0.332 1
1 128 . 39 1 1 A 13 13 GLY HA3 H 73 4.200 3.855 0.345 1
1 129 . 39 1 1 A 13 13 GLY C C 73 173.960 173.804 0.156 1
1 130 . 39 1 1 A 13 13 GLY CA C 73 45.350 45.420 -0.070 1
1 131 . 39 1 1 A 13 13 GLY N N 73 103.500 103.323 0.177 1
1 132 . 39 1 1 A 14 14 GLU H H 74 7.660 7.999 -0.339 1
1 133 . 39 1 1 A 14 14 GLU HA H 74 4.640 4.606 0.034 1
1 138 . 39 1 1 A 14 14 GLU C C 74 176.170 176.082 0.088 1
1 139 . 39 1 1 A 14 14 GLU CA C 74 54.460 55.029 -0.569 1
1 140 . 39 1 1 A 14 14 GLU CB C 74 32.050 31.424 0.626 1
1 142 . 39 1 1 A 14 14 GLU N N 74 121.330 120.539 0.791 1
1 143 . 39 1 1 A 15 15 ARG H H 75 9.000 8.787 0.213 1
1 144 . 39 1 1 A 15 15 ARG HA H 75 4.120 4.478 -0.358 1
1 150 . 39 1 1 A 15 15 ARG C C 75 175.230 175.814 -0.584 1
1 151 . 39 1 1 A 15 15 ARG CA C 75 56.640 55.096 1.544 1
1 152 . 39 1 1 A 15 15 ARG CB C 75 29.720 28.616 1.104 1
1 155 . 39 1 1 A 15 15 ARG N N 75 127.990 123.931 4.059 1
1 156 . 39 1 1 A 16 16 CYS H H 76 8.870 8.968 -0.098 1
1 157 . 39 1 1 A 16 16 CYS HA H 76 4.170 4.375 -0.205 1
1 160 . 39 1 1 A 16 16 CYS CA C 76 61.840 61.184 0.656 1
1 161 . 39 1 1 A 16 16 CYS CB C 76 31.150 28.080 3.070 1
1 162 . 39 1 1 A 16 16 CYS N N 76 131.840 119.146 12.694 1
1 163 . 39 1 1 A 17 17 GLY H H 77 8.530 7.989 0.541 1
1 164 . 39 1 1 A 17 17 GLY HA2 H 77 3.680 3.980 -0.300 1
1 165 . 39 1 1 A 17 17 GLY HA3 H 77 4.340 3.992 0.348 1
1 166 . 39 1 1 A 17 17 GLY C C 77 174.620 174.317 0.303 1
1 167 . 39 1 1 A 17 17 GLY CA C 77 45.110 45.095 0.015 1
1 168 . 39 1 1 A 17 17 GLY N N 77 111.930 108.504 3.426 1
1 169 . 39 1 1 A 18 18 ARG H H 78 8.960 7.901 1.059 1
1 170 . 39 1 1 A 18 18 ARG HA H 78 4.290 4.388 -0.098 1
1 177 . 39 1 1 A 18 18 ARG C C 78 175.270 176.006 -0.736 1
1 178 . 39 1 1 A 18 18 ARG CA C 78 56.350 55.509 0.841 1
1 179 . 39 1 1 A 18 18 ARG CB C 78 31.310 30.882 0.428 1
1 182 . 39 1 1 A 18 18 ARG N N 78 124.390 122.301 2.089 1
1 183 . 39 1 1 A 19 19 ALA H H 79 8.340 8.387 -0.047 1
1 184 . 39 1 1 A 19 19 ALA HA H 79 4.170 4.227 -0.057 1
1 188 . 39 1 1 A 19 19 ALA C C 79 177.620 177.519 0.101 1
1 189 . 39 1 1 A 19 19 ALA CA C 79 52.710 52.391 0.319 1
1 190 . 39 1 1 A 19 19 ALA CB C 79 18.710 19.319 -0.609 1
1 191 . 39 1 1 A 19 19 ALA N N 79 123.880 127.837 -3.957 1
1 192 . 39 1 1 A 20 20 ALA H H 80 8.470 8.378 0.092 1
1 193 . 39 1 1 A 20 20 ALA HA H 80 3.540 4.577 -1.037 1
1 197 . 39 1 1 A 20 20 ALA C C 80 177.560 177.554 0.006 1
1 198 . 39 1 1 A 20 20 ALA CA C 80 52.840 52.022 0.818 1
1 199 . 39 1 1 A 20 20 ALA CB C 80 19.050 19.684 -0.634 1
1 200 . 39 1 1 A 20 20 ALA N N 80 124.580 122.759 1.821 1
1 201 . 39 1 1 A 21 21 GLY H H 81 8.090 8.131 -0.041 1
1 202 . 39 1 1 A 21 21 GLY HA2 H 81 3.800 4.172 -0.372 1
1 203 . 39 1 1 A 21 21 GLY HA3 H 81 4.430 4.199 0.231 1
1 204 . 39 1 1 A 21 21 GLY C C 81 173.170 174.749 -1.579 1
1 205 . 39 1 1 A 21 21 GLY CA C 81 44.390 44.686 -0.296 1
1 206 . 39 1 1 A 21 21 GLY N N 81 114.000 107.182 6.818 1
1 207 . 39 1 1 A 22 22 ASN H H 82 8.690 8.801 -0.111 1
1 208 . 39 1 1 A 22 22 ASN HA H 82 4.650 4.982 -0.332 1
1 213 . 39 1 1 A 22 22 ASN C C 82 176.260 175.940 0.320 1
1 214 . 39 1 1 A 22 22 ASN CA C 82 53.580 54.399 -0.819 1
1 215 . 39 1 1 A 22 22 ASN CB C 82 39.580 40.400 -0.820 1
1 216 . 39 1 1 A 22 22 ASN N N 82 118.160 123.057 -4.897 1
1 218 . 39 1 1 A 23 23 ALA H H 83 8.720 7.711 1.009 1
1 219 . 39 1 1 A 23 23 ALA HA H 83 4.570 4.336 0.234 1
1 223 . 39 1 1 A 23 23 ALA C C 83 175.910 177.604 -1.694 1
1 224 . 39 1 1 A 23 23 ALA CA C 83 52.340 52.781 -0.441 1
1 225 . 39 1 1 A 23 23 ALA CB C 83 19.370 19.355 0.015 1
1 226 . 39 1 1 A 23 23 ALA N N 83 125.180 121.871 3.309 1
1 227 . 39 1 1 A 24 24 SER H H 84 7.970 8.546 -0.576 1
1 228 . 39 1 1 A 24 24 SER HA H 84 5.310 5.113 0.197 1
1 230 . 39 1 1 A 24 24 SER C C 84 174.620 172.909 1.711 1
1 231 . 39 1 1 A 24 24 SER CA C 84 56.550 56.019 0.531 1
1 232 . 39 1 1 A 24 24 SER CB C 84 66.420 65.631 0.789 1
1 233 . 39 1 1 A 24 24 SER N N 84 112.840 111.958 0.882 1
1 234 . 39 1 1 A 25 25 PHE H H 85 9.580 8.985 0.595 1
1 235 . 39 1 1 A 25 25 PHE HA H 85 4.320 4.830 -0.510 1
1 241 . 39 1 1 A 25 25 PHE C C 85 173.430 174.773 -1.343 1
1 242 . 39 1 1 A 25 25 PHE CA C 85 57.780 56.898 0.882 1
1 243 . 39 1 1 A 25 25 PHE CB C 85 38.780 39.583 -0.803 1
1 247 . 39 1 1 A 25 25 PHE N N 85 125.520 123.548 1.972 1
1 248 . 39 1 1 A 26 26 SER H H 86 6.780 8.418 -1.638 1
1 249 . 39 1 1 A 26 26 SER HA H 86 4.430 4.747 -0.317 1
1 252 . 39 1 1 A 26 26 SER C C 86 174.200 175.050 -0.850 1
1 253 . 39 1 1 A 26 26 SER CA C 86 56.610 56.269 0.341 1
1 254 . 39 1 1 A 26 26 SER CB C 86 66.010 64.719 1.291 1
1 255 . 39 1 1 A 26 26 SER N N 86 118.860 119.362 -0.502 1
1 256 . 39 1 1 A 27 27 LYS H H 87 8.710 8.533 0.177 1
1 257 . 39 1 1 A 27 27 LYS HA H 87 3.850 3.764 0.086 1
1 263 . 39 1 1 A 27 27 LYS C C 87 178.490 178.695 -0.205 1
1 264 . 39 1 1 A 27 27 LYS CA C 87 59.390 59.050 0.340 1
1 265 . 39 1 1 A 27 27 LYS CB C 87 31.970 32.657 -0.687 1
1 269 . 39 1 1 A 27 27 LYS N N 87 121.790 118.720 3.070 1
1 270 . 39 1 1 A 28 28 ARG H H 88 8.010 7.736 0.274 1
1 271 . 39 1 1 A 28 28 ARG HA H 88 3.990 4.003 -0.013 1
1 277 . 39 1 1 A 28 28 ARG C C 88 178.890 178.659 0.231 1
1 278 . 39 1 1 A 28 28 ARG CA C 88 59.010 58.673 0.337 1
1 279 . 39 1 1 A 28 28 ARG CB C 88 30.120 29.881 0.239 1
1 282 . 39 1 1 A 28 28 ARG N N 88 119.520 119.644 -0.124 1
1 283 . 39 1 1 A 29 29 ILE H H 89 7.350 7.527 -0.177 1
1 284 . 39 1 1 A 29 29 ILE HA H 89 3.680 3.657 0.023 1
1 294 . 39 1 1 A 29 29 ILE C C 89 177.620 178.059 -0.439 1
1 295 . 39 1 1 A 29 29 ILE CA C 89 63.170 65.082 -1.912 1
1 296 . 39 1 1 A 29 29 ILE CB C 89 36.900 36.920 -0.020 1
1 300 . 39 1 1 A 29 29 ILE N N 89 121.980 119.717 2.263 1
1 301 . 39 1 1 A 30 30 GLN H H 90 7.990 8.000 -0.010 1
1 302 . 39 1 1 A 30 30 GLN HA H 90 3.630 3.930 -0.300 1
1 308 . 39 1 1 A 30 30 GLN C C 90 178.320 178.354 -0.034 1
1 309 . 39 1 1 A 30 30 GLN CA C 90 59.200 59.215 -0.015 1
1 310 . 39 1 1 A 30 30 GLN CB C 90 28.700 28.030 0.670 1
1 312 . 39 1 1 A 30 30 GLN N N 90 121.020 120.717 0.303 1
1 314 . 39 1 1 A 31 31 LYS H H 91 7.990 8.271 -0.281 1
1 315 . 39 1 1 A 31 31 LYS HA H 91 4.090 4.023 0.067 1
1 321 . 39 1 1 A 31 31 LYS C C 91 178.650 179.203 -0.553 1
1 322 . 39 1 1 A 31 31 LYS CA C 91 58.720 59.196 -0.476 1
1 323 . 39 1 1 A 31 31 LYS CB C 91 32.220 31.994 0.226 1
1 327 . 39 1 1 A 31 31 LYS N N 91 119.520 118.418 1.102 1
1 328 . 39 1 1 A 32 32 SER H H 92 7.770 8.199 -0.429 1
1 329 . 39 1 1 A 32 32 SER HA H 92 4.320 4.118 0.202 1
1 332 . 39 1 1 A 32 32 SER C C 92 176.110 176.202 -0.092 1
1 333 . 39 1 1 A 32 32 SER CA C 92 61.260 62.162 -0.902 1
1 334 . 39 1 1 A 32 32 SER CB C 92 63.610 63.080 0.530 1
1 335 . 39 1 1 A 32 32 SER N N 92 116.310 116.809 -0.499 1
1 336 . 39 1 1 A 33 33 ILE H H 93 7.960 7.952 0.008 1
1 337 . 39 1 1 A 33 33 ILE HA H 93 3.920 3.808 0.112 1
1 347 . 39 1 1 A 33 33 ILE C C 93 177.480 178.066 -0.586 1
1 348 . 39 1 1 A 33 33 ILE CA C 93 63.610 65.218 -1.608 1
1 349 . 39 1 1 A 33 33 ILE CB C 93 38.330 37.403 0.927 1
1 353 . 39 1 1 A 33 33 ILE N N 93 119.950 121.739 -1.789 1
1 354 . 39 1 1 A 34 34 SER H H 94 7.970 8.266 -0.296 1
1 355 . 39 1 1 A 34 34 SER HA H 94 4.390 4.066 0.324 1
1 357 . 39 1 1 A 34 34 SER C C 94 176.490 177.281 -0.791 1
1 358 . 39 1 1 A 34 34 SER CA C 94 60.560 61.471 -0.911 1
1 359 . 39 1 1 A 34 34 SER CB C 94 63.130 63.025 0.105 1
1 360 . 39 1 1 A 34 34 SER N N 94 117.230 116.886 0.344 1
1 361 . 39 1 1 A 35 35 GLN H H 95 8.220 7.946 0.274 1
1 362 . 39 1 1 A 35 35 GLN HA H 95 4.260 4.023 0.237 1
1 369 . 39 1 1 A 35 35 GLN C C 95 177.050 178.285 -1.235 1
1 370 . 39 1 1 A 35 35 GLN CA C 95 57.360 58.950 -1.590 1
1 371 . 39 1 1 A 35 35 GLN CB C 95 28.900 28.586 0.314 1
1 373 . 39 1 1 A 35 35 GLN N N 95 121.530 120.629 0.901 1
1 375 . 39 1 1 A 36 36 LYS H H 96 7.870 7.526 0.344 1
1 376 . 39 1 1 A 36 36 LYS HA H 96 4.280 4.174 0.106 1
1 383 . 39 1 1 A 36 36 LYS C C 96 176.160 176.296 -0.136 1
1 384 . 39 1 1 A 36 36 LYS CA C 96 56.570 58.754 -2.184 1
1 385 . 39 1 1 A 36 36 LYS CB C 96 33.600 32.797 0.803 1
1 389 . 39 1 1 A 36 36 LYS N N 96 118.550 116.131 2.419 1
1 390 . 39 1 1 A 37 37 LYS H H 97 8.110 8.254 -0.144 1
1 391 . 39 1 1 A 37 37 LYS HA H 97 4.110 3.861 0.249 1
1 396 . 39 1 1 A 37 37 LYS C C 97 176.210 175.110 1.100 1
1 397 . 39 1 1 A 37 37 LYS CA C 97 57.230 57.173 0.057 1
1 398 . 39 1 1 A 37 37 LYS CB C 97 30.580 30.109 0.471 1
1 402 . 39 1 1 A 37 37 LYS N N 97 117.680 116.475 1.205 1
1 403 . 39 1 1 A 38 38 VAL H H 98 7.430 7.779 -0.349 1
1 404 . 39 1 1 A 38 38 VAL HA H 98 4.350 4.897 -0.547 1
1 412 . 39 1 1 A 38 38 VAL C C 98 175.830 174.711 1.119 1
1 413 . 39 1 1 A 38 38 VAL CA C 98 60.580 58.677 1.903 1
1 414 . 39 1 1 A 38 38 VAL CB C 98 33.410 35.316 -1.906 1
1 417 . 39 1 1 A 38 38 VAL N N 98 115.860 114.270 1.590 1
1 418 . 39 1 1 A 39 39 LYS H H 99 8.960 8.455 0.505 1
1 419 . 39 1 1 A 39 39 LYS HA H 99 4.430 4.372 0.058 1
1 425 . 39 1 1 A 39 39 LYS C C 99 175.700 174.664 1.036 1
1 426 . 39 1 1 A 39 39 LYS CA C 99 55.420 56.180 -0.760 1
1 427 . 39 1 1 A 39 39 LYS CB C 99 30.580 30.571 0.009 1
1 431 . 39 1 1 A 39 39 LYS N N 99 127.710 120.851 6.859 1
1 432 . 39 1 1 A 40 40 ILE H H 100 7.660 8.327 -0.667 1
1 433 . 39 1 1 A 40 40 ILE HA H 100 5.020 5.088 -0.068 1
1 443 . 39 1 1 A 40 40 ILE C C 100 174.520 175.091 -0.571 1
1 444 . 39 1 1 A 40 40 ILE CA C 100 59.370 60.577 -1.207 1
1 445 . 39 1 1 A 40 40 ILE CB C 100 40.650 40.401 0.249 1
1 449 . 39 1 1 A 40 40 ILE N N 100 123.140 123.156 -0.016 1
1 450 . 39 1 1 A 41 41 GLU H H 101 8.490 9.041 -0.551 1
1 451 . 39 1 1 A 41 41 GLU HA H 101 4.620 4.954 -0.334 1
1 456 . 39 1 1 A 41 41 GLU C C 101 173.590 174.520 -0.930 1
1 457 . 39 1 1 A 41 41 GLU CA C 101 53.740 54.219 -0.479 1
1 458 . 39 1 1 A 41 41 GLU CB C 101 34.580 33.429 1.151 1
1 460 . 39 1 1 A 41 41 GLU N N 101 123.460 124.512 -1.052 1
1 461 . 39 1 1 A 42 42 LEU H H 102 8.490 8.253 0.237 1
1 462 . 39 1 1 A 42 42 LEU HA H 102 3.790 4.381 -0.591 1
1 472 . 39 1 1 A 42 42 LEU C C 102 176.440 175.429 1.011 1
1 473 . 39 1 1 A 42 42 LEU CA C 102 55.190 54.626 0.564 1
1 474 . 39 1 1 A 42 42 LEU CB C 102 43.100 43.068 0.032 1
1 478 . 39 1 1 A 42 42 LEU N N 102 123.470 123.494 -0.024 1
1 479 . 39 1 1 A 43 43 ASP H H 103 8.770 8.032 0.738 1
1 480 . 39 1 1 A 43 43 ASP HA H 103 4.520 4.732 -0.212 1
1 483 . 39 1 1 A 43 43 ASP C C 103 177.600 176.695 0.905 1
1 484 . 39 1 1 A 43 43 ASP CA C 103 53.740 52.810 0.930 1
1 485 . 39 1 1 A 43 43 ASP CB C 103 41.880 41.697 0.183 1
1 486 . 39 1 1 A 43 43 ASP N N 103 127.210 125.904 1.306 1
1 487 . 39 1 1 A 44 44 LYS H H 104 8.910 8.965 -0.055 1
1 488 . 39 1 1 A 44 44 LYS HA H 104 3.920 4.134 -0.214 1
1 495 . 39 1 1 A 44 44 LYS C C 104 177.340 177.528 -0.188 1
1 496 . 39 1 1 A 44 44 LYS CA C 104 58.930 58.689 0.241 1
1 497 . 39 1 1 A 44 44 LYS CB C 104 32.000 32.244 -0.244 1
1 501 . 39 1 1 A 44 44 LYS N N 104 129.080 126.850 2.230 1
1 502 . 39 1 1 A 45 45 SER H H 105 8.740 8.577 0.163 1
1 503 . 39 1 1 A 45 45 SER HA H 105 4.370 4.406 -0.036 1
1 506 . 39 1 1 A 45 45 SER C C 105 175.040 176.286 -1.246 1
1 507 . 39 1 1 A 45 45 SER CA C 105 59.150 58.775 0.375 1
1 508 . 39 1 1 A 45 45 SER CB C 105 63.830 63.480 0.350 1
1 509 . 39 1 1 A 45 45 SER N N 105 115.270 113.183 2.087 1
1 510 . 39 1 1 A 46 46 ALA H H 106 7.430 7.474 -0.044 1
1 511 . 39 1 1 A 46 46 ALA HA H 106 4.150 4.093 0.057 1
1 515 . 39 1 1 A 46 46 ALA CA C 106 53.300 53.562 -0.262 1
1 516 . 39 1 1 A 46 46 ALA CB C 106 19.190 18.749 0.441 1
1 517 . 39 1 1 A 46 46 ALA N N 106 125.120 125.057 0.063 1
1 518 . 39 1 1 A 47 47 ARG HA H 107 4.280 4.548 -0.268 1
1 526 . 39 1 1 A 48 48 HIS HA H 108 4.650 5.065 -0.415 1
1 531 . 39 1 1 A 48 48 HIS C C 108 173.160 173.696 -0.536 1
1 532 . 39 1 1 A 48 48 HIS CA C 108 54.990 53.715 1.275 1
1 533 . 39 1 1 A 48 48 HIS CB C 108 33.400 32.140 1.260 1
1 538 . 39 1 1 A 49 49 LEU H H 109 8.030 8.872 -0.842 1
1 539 . 39 1 1 A 49 49 LEU HA H 109 5.040 4.633 0.407 1
1 549 . 39 1 1 A 49 49 LEU CA C 109 54.480 54.911 -0.431 1
1 550 . 39 1 1 A 49 49 LEU CB C 109 43.010 43.436 -0.426 1
1 554 . 39 1 1 A 49 49 LEU N N 109 120.130 119.251 0.879 1
1 555 . 39 1 1 A 50 50 TYR HA H 110 5.020 4.393 0.627 1
1 560 . 39 1 1 A 50 50 TYR C C 110 176.960 174.943 2.017 1
1 561 . 39 1 1 A 50 50 TYR CA C 110 60.340 58.310 2.030 1
1 562 . 39 1 1 A 50 50 TYR CB C 110 39.210 36.970 2.240 1
1 565 . 39 1 1 A 51 51 ILE H H 111 8.510 7.928 0.582 1
1 566 . 39 1 1 A 51 51 ILE HA H 111 5.960 4.636 1.324 1
1 576 . 39 1 1 A 51 51 ILE C C 111 177.900 176.045 1.855 1
1 577 . 39 1 1 A 51 51 ILE CA C 111 58.100 59.830 -1.730 1
1 578 . 39 1 1 A 51 51 ILE CB C 111 41.370 39.071 2.299 1
1 582 . 39 1 1 A 51 51 ILE N N 111 115.050 121.709 -6.659 1
1 583 . 39 1 1 A 52 52 CYS H H 112 9.830 8.808 1.022 1
1 584 . 39 1 1 A 52 52 CYS HA H 112 5.000 4.803 0.197 1
1 587 . 39 1 1 A 52 52 CYS C C 112 175.420 175.756 -0.336 1
1 588 . 39 1 1 A 52 52 CYS CA C 112 57.770 57.871 -0.101 1
1 589 . 39 1 1 A 52 52 CYS CB C 112 33.120 30.035 3.085 1
1 590 . 39 1 1 A 52 52 CYS N N 112 125.820 121.728 4.092 1
1 591 . 39 1 1 A 53 53 ASP H H 113 9.000 8.966 0.034 1
1 592 . 39 1 1 A 53 53 ASP HA H 113 4.510 4.352 0.158 1
1 594 . 39 1 1 A 53 53 ASP C C 113 178.140 178.187 -0.047 1
1 595 . 39 1 1 A 53 53 ASP CA C 113 57.330 57.337 -0.007 1
1 596 . 39 1 1 A 53 53 ASP CB C 113 39.730 40.348 -0.618 1
1 597 . 39 1 1 A 53 53 ASP N N 113 121.960 120.705 1.255 1
1 598 . 39 1 1 A 54 54 TYR H H 114 8.220 8.198 0.022 1
1 599 . 39 1 1 A 54 54 TYR HA H 114 4.100 4.189 -0.089 1
1 604 . 39 1 1 A 54 54 TYR C C 114 178.410 177.297 1.113 1
1 605 . 39 1 1 A 54 54 TYR CA C 114 61.970 61.640 0.330 1
1 606 . 39 1 1 A 54 54 TYR CB C 114 37.150 38.722 -1.572 1
1 609 . 39 1 1 A 54 54 TYR N N 114 123.510 122.489 1.021 1
1 610 . 39 1 1 A 55 55 HIS H H 115 10.090 7.687 2.403 1
1 611 . 39 1 1 A 55 55 HIS HA H 115 4.040 4.003 0.037 1
1 616 . 39 1 1 A 55 55 HIS C C 115 177.240 177.385 -0.145 1
1 617 . 39 1 1 A 55 55 HIS CA C 115 63.870 59.641 4.229 1
1 618 . 39 1 1 A 55 55 HIS CB C 115 29.600 30.004 -0.404 1
1 621 . 39 1 1 A 55 55 HIS N N 115 124.830 117.173 7.657 1
1 624 . 39 1 1 A 56 56 LYS H H 116 8.830 8.222 0.608 1
1 625 . 39 1 1 A 56 56 LYS HA H 116 3.720 3.862 -0.142 1
1 633 . 39 1 1 A 56 56 LYS C C 116 178.140 178.799 -0.659 1
1 634 . 39 1 1 A 56 56 LYS CA C 116 60.590 59.953 0.637 1
1 635 . 39 1 1 A 56 56 LYS CB C 116 32.230 32.613 -0.383 1
1 639 . 39 1 1 A 56 56 LYS N N 116 123.340 120.406 2.934 1
1 640 . 39 1 1 A 57 57 ASN H H 117 8.140 8.029 0.111 1
1 641 . 39 1 1 A 57 57 ASN HA H 117 4.340 4.513 -0.173 1
1 646 . 39 1 1 A 57 57 ASN C C 117 177.570 177.408 0.162 1
1 647 . 39 1 1 A 57 57 ASN CA C 117 55.890 56.379 -0.489 1
1 648 . 39 1 1 A 57 57 ASN CB C 117 38.070 39.044 -0.974 1
1 649 . 39 1 1 A 57 57 ASN N N 117 116.920 118.319 -1.399 1
1 651 . 39 1 1 A 58 58 LEU H H 118 7.890 7.818 0.072 1
1 652 . 39 1 1 A 58 58 LEU HA H 118 3.930 4.004 -0.074 1
1 662 . 39 1 1 A 58 58 LEU C C 118 179.400 178.596 0.804 1
1 663 . 39 1 1 A 58 58 LEU CA C 118 58.420 57.750 0.670 1
1 664 . 39 1 1 A 58 58 LEU CB C 118 43.170 41.678 1.492 1
1 668 . 39 1 1 A 58 58 LEU N N 118 123.590 120.248 3.342 1
1 669 . 39 1 1 A 59 59 ILE H H 119 8.360 7.728 0.632 1
1 670 . 39 1 1 A 59 59 ILE HA H 119 3.470 3.922 -0.452 1
1 680 . 39 1 1 A 59 59 ILE C C 119 177.290 178.213 -0.923 1
1 681 . 39 1 1 A 59 59 ILE CA C 119 65.260 63.603 1.657 1
1 682 . 39 1 1 A 59 59 ILE CB C 119 38.330 38.114 0.216 1
1 686 . 39 1 1 A 59 59 ILE N N 119 118.630 118.665 -0.035 1
1 687 . 39 1 1 A 60 60 GLN H H 120 7.830 8.534 -0.704 1
1 688 . 39 1 1 A 60 60 GLN HA H 120 4.130 4.073 0.057 1
1 694 . 39 1 1 A 60 60 GLN C C 120 177.240 177.083 0.157 1
1 695 . 39 1 1 A 60 60 GLN CA C 120 57.750 59.163 -1.413 1
1 696 . 39 1 1 A 60 60 GLN CB C 120 28.910 28.875 0.035 1
1 698 . 39 1 1 A 60 60 GLN N N 120 117.840 120.093 -2.253 1
1 700 . 39 1 1 A 61 61 SER H H 121 7.790 8.113 -0.323 1
1 701 . 39 1 1 A 61 61 SER HA H 121 4.300 4.785 -0.485 1
1 703 . 39 1 1 A 61 61 SER C C 121 175.650 175.000 0.650 1
1 704 . 39 1 1 A 61 61 SER CA C 121 60.090 57.624 2.466 1
1 705 . 39 1 1 A 61 61 SER CB C 121 63.570 63.240 0.330 1
1 706 . 39 1 1 A 61 61 SER N N 121 115.460 113.694 1.766 1
1 707 . 39 1 1 A 62 62 VAL H H 122 8.020 7.689 0.331 1
1 708 . 39 1 1 A 62 62 VAL HA H 122 4.020 3.897 0.123 1
1 716 . 39 1 1 A 62 62 VAL C C 122 176.960 177.555 -0.595 1
1 717 . 39 1 1 A 62 62 VAL CA C 122 63.600 64.632 -1.032 1
1 718 . 39 1 1 A 62 62 VAL CB C 122 32.300 32.496 -0.196 1
1 721 . 39 1 1 A 62 62 VAL N N 122 121.600 122.302 -0.702 1
1 722 . 39 1 1 A 63 63 ARG H H 123 8.130 7.739 0.391 1
1 723 . 39 1 1 A 63 63 ARG HA H 123 4.190 4.420 -0.230 1
1 729 . 39 1 1 A 63 63 ARG C C 123 176.490 175.434 1.056 1
1 730 . 39 1 1 A 63 63 ARG CA C 123 57.070 55.209 1.861 1
1 731 . 39 1 1 A 63 63 ARG CB C 123 30.780 31.680 -0.900 1
1 734 . 39 1 1 A 63 63 ARG N N 123 122.770 118.899 3.871 1
1 735 . 39 1 1 A 64 64 ASN H H 124 8.210 7.456 0.754 1
1 736 . 39 1 1 A 64 64 ASN HA H 124 4.650 4.230 0.420 1
1 741 . 39 1 1 A 64 64 ASN C C 124 175.310 174.015 1.295 1
1 742 . 39 1 1 A 64 64 ASN CA C 124 53.500 54.408 -0.908 1
1 743 . 39 1 1 A 64 64 ASN CB C 124 38.840 36.737 2.103 1
1 744 . 39 1 1 A 64 64 ASN N N 124 119.350 115.424 3.926 1
1 746 . 39 1 1 A 65 65 ARG H H 125 8.100 7.920 0.180 1
1 747 . 39 1 1 A 65 65 ARG HA H 125 4.270 4.558 -0.288 1
1 752 . 39 1 1 A 65 65 ARG C C 125 176.310 175.302 1.008 1
1 753 . 39 1 1 A 65 65 ARG CA C 125 56.580 56.082 0.498 1
1 754 . 39 1 1 A 65 65 ARG CB C 125 30.810 30.843 -0.033 1
1 757 . 39 1 1 A 65 65 ARG N N 125 122.230 119.161 3.069 1
1 758 . 39 1 1 A 66 66 ARG H H 126 8.260 8.800 -0.540 1
1 759 . 39 1 1 A 66 66 ARG HA H 126 4.270 4.906 -0.636 1
1 764 . 39 1 1 A 66 66 ARG C C 126 176.210 174.429 1.781 1
1 765 . 39 1 1 A 66 66 ARG CA C 126 56.190 54.091 2.099 1
1 766 . 39 1 1 A 66 66 ARG CB C 126 30.810 34.722 -3.912 1
1 769 . 39 1 1 A 66 66 ARG N N 126 122.760 125.620 -2.860 1
1 770 . 39 1 1 A 67 67 LYS H H 127 8.270 8.487 -0.217 1
1 771 . 39 1 1 A 67 67 LYS HA H 127 4.260 4.434 -0.174 1
1 776 . 39 1 1 A 67 67 LYS C C 127 176.450 176.060 0.390 1
1 777 . 39 1 1 A 67 67 LYS CA C 127 56.320 56.006 0.314 1
1 778 . 39 1 1 A 67 67 LYS CB C 127 33.180 33.364 -0.184 1
1 782 . 39 1 1 A 67 67 LYS N N 127 123.620 121.813 1.807 1
1 783 . 39 1 1 A 68 68 ARG H H 128 8.340 8.625 -0.285 1
1 784 . 39 1 1 A 68 68 ARG HA H 128 4.270 5.116 -0.846 1
1 788 . 39 1 1 A 68 68 ARG C C 128 176.250 175.323 0.927 1
1 789 . 39 1 1 A 68 68 ARG CA C 128 56.130 54.656 1.474 1
1 790 . 39 1 1 A 68 68 ARG CB C 128 31.060 33.347 -2.287 1
1 793 . 39 1 1 A 68 68 ARG N N 128 123.750 123.548 0.202 1
1 794 . 39 1 1 A 69 69 LYS H H 129 8.450 8.954 -0.504 1
1 795 . 39 1 1 A 69 69 LYS HA H 129 4.250 4.574 -0.324 1
1 800 . 39 1 1 A 69 69 LYS C C 129 177.010 176.636 0.374 1
1 801 . 39 1 1 A 69 69 LYS CA C 129 57.000 55.532 1.468 1
1 802 . 39 1 1 A 69 69 LYS CB C 129 32.940 35.021 -2.081 1
1 806 . 39 1 1 A 69 69 LYS N N 129 124.580 121.190 3.390 1
1 807 . 39 1 1 A 70 70 GLY H H 130 8.500 7.721 0.779 1
1 808 . 39 1 1 A 70 70 GLY HA2 H 130 3.910 4.032 -0.122 1
1 809 . 39 1 1 A 70 70 GLY HA3 H 130 4.010 4.032 -0.022 1
1 810 . 39 1 1 A 70 70 GLY C C 130 173.360 174.903 -1.543 1
1 811 . 39 1 1 A 70 70 GLY CA C 130 45.370 45.363 0.007 1
1 812 . 39 1 1 A 70 70 GLY N N 130 112.470 105.693 6.777 1
1 6 . 40 1 1 A 2 2 ASN HA H 62 4.610 5.147 -0.537 1
1 10 . 40 1 1 A 2 2 ASN C C 62 174.760 174.553 0.207 1
1 11 . 40 1 1 A 2 2 ASN CA C 62 53.100 53.420 -0.320 1
1 12 . 40 1 1 A 2 2 ASN CB C 62 38.790 40.934 -2.144 1
1 14 . 40 1 1 A 3 3 ALA H H 63 8.300 7.886 0.414 1
1 15 . 40 1 1 A 3 3 ALA HA H 63 4.200 4.743 -0.543 1
1 19 . 40 1 1 A 3 3 ALA C C 63 178.180 177.257 0.923 1
1 20 . 40 1 1 A 3 3 ALA CA C 63 53.070 50.886 2.184 1
1 21 . 40 1 1 A 3 3 ALA CB C 63 18.960 20.251 -1.291 1
1 22 . 40 1 1 A 3 3 ALA N N 63 125.390 121.156 4.234 1
1 23 . 40 1 1 A 4 4 GLY H H 64 8.340 8.498 -0.158 1
1 24 . 40 1 1 A 4 4 GLY HA2 H 64 3.800 3.930 -0.130 1
1 25 . 40 1 1 A 4 4 GLY HA3 H 64 3.860 3.932 -0.072 1
1 26 . 40 1 1 A 4 4 GLY C C 64 174.010 174.338 -0.328 1
1 27 . 40 1 1 A 4 4 GLY CA C 64 45.350 46.228 -0.878 1
1 28 . 40 1 1 A 4 4 GLY N N 64 109.300 111.595 -2.295 1
1 29 . 40 1 1 A 5 5 GLN H H 65 7.950 7.825 0.125 1
1 30 . 40 1 1 A 5 5 GLN HA H 65 4.330 4.694 -0.364 1
1 35 . 40 1 1 A 5 5 GLN C C 65 175.560 174.886 0.674 1
1 36 . 40 1 1 A 5 5 GLN CA C 65 55.400 55.121 0.279 1
1 37 . 40 1 1 A 5 5 GLN CB C 65 29.860 30.782 -0.922 1
1 39 . 40 1 1 A 5 5 GLN N N 65 119.540 118.335 1.205 1
1 41 . 40 1 1 A 6 6 LEU H H 66 8.740 8.732 0.008 1
1 42 . 40 1 1 A 6 6 LEU HA H 66 4.610 4.867 -0.257 1
1 52 . 40 1 1 A 6 6 LEU C C 66 175.750 175.888 -0.138 1
1 53 . 40 1 1 A 6 6 LEU CA C 66 54.010 53.058 0.952 1
1 54 . 40 1 1 A 6 6 LEU CB C 66 43.490 45.335 -1.845 1
1 58 . 40 1 1 A 6 6 LEU N N 66 126.120 121.183 4.937 1
1 59 . 40 1 1 A 7 7 CYS H H 67 8.470 8.991 -0.521 1
1 60 . 40 1 1 A 7 7 CYS HA H 67 4.140 4.400 -0.260 1
1 63 . 40 1 1 A 7 7 CYS C C 67 175.320 175.563 -0.243 1
1 64 . 40 1 1 A 7 7 CYS CA C 67 60.780 59.901 0.879 1
1 65 . 40 1 1 A 7 7 CYS CB C 67 32.850 28.547 4.303 1
1 66 . 40 1 1 A 7 7 CYS N N 67 123.170 124.547 -1.377 1
1 67 . 40 1 1 A 8 8 CYS H H 68 8.170 8.806 -0.636 1
1 68 . 40 1 1 A 8 8 CYS HA H 68 4.280 4.722 -0.442 1
1 72 . 40 1 1 A 8 8 CYS C C 68 172.410 172.853 -0.443 1
1 73 . 40 1 1 A 8 8 CYS CA C 68 58.920 58.505 0.415 1
1 74 . 40 1 1 A 8 8 CYS CB C 68 28.920 28.131 0.789 1
1 75 . 40 1 1 A 8 8 CYS N N 68 124.700 123.807 0.893 1
1 76 . 40 1 1 A 9 9 LEU H H 69 8.180 7.155 1.025 1
1 77 . 40 1 1 A 9 9 LEU HA H 69 4.580 4.661 -0.081 1
1 87 . 40 1 1 A 9 9 LEU C C 69 176.770 175.768 1.002 1
1 88 . 40 1 1 A 9 9 LEU CA C 69 54.760 52.866 1.894 1
1 89 . 40 1 1 A 9 9 LEU CB C 69 43.150 44.187 -1.037 1
1 93 . 40 1 1 A 9 9 LEU N N 69 122.650 123.154 -0.504 1
1 94 . 40 1 1 A 10 10 ARG H H 70 8.880 8.441 0.439 1
1 95 . 40 1 1 A 10 10 ARG HA H 70 4.770 5.248 -0.478 1
1 102 . 40 1 1 A 10 10 ARG C C 70 174.900 174.060 0.840 1
1 103 . 40 1 1 A 10 10 ARG CA C 70 54.710 54.519 0.191 1
1 104 . 40 1 1 A 10 10 ARG CB C 70 33.390 31.835 1.555 1
1 107 . 40 1 1 A 10 10 ARG N N 70 117.650 122.685 -5.035 1
1 108 . 40 1 1 A 11 11 GLU H H 71 8.640 9.537 -0.897 1
1 109 . 40 1 1 A 11 11 GLU HA H 71 5.090 4.723 0.367 1
1 113 . 40 1 1 A 11 11 GLU C C 71 176.070 175.529 0.541 1
1 114 . 40 1 1 A 11 11 GLU CA C 71 54.270 55.344 -1.074 1
1 115 . 40 1 1 A 11 11 GLU CB C 71 32.460 30.781 1.679 1
1 117 . 40 1 1 A 11 11 GLU N N 71 123.910 125.786 -1.876 1
1 118 . 40 1 1 A 12 12 ASP H H 72 9.510 9.131 0.379 1
1 119 . 40 1 1 A 12 12 ASP HA H 72 4.270 4.425 -0.155 1
1 122 . 40 1 1 A 12 12 ASP C C 72 175.890 176.325 -0.435 1
1 123 . 40 1 1 A 12 12 ASP CA C 72 55.880 55.342 0.538 1
1 124 . 40 1 1 A 12 12 ASP CB C 72 39.910 39.844 0.066 1
1 125 . 40 1 1 A 12 12 ASP N N 72 129.440 128.042 1.398 1
1 126 . 40 1 1 A 13 13 GLY H H 73 8.970 8.529 0.441 1
1 127 . 40 1 1 A 13 13 GLY HA2 H 73 3.520 3.837 -0.317 1
1 128 . 40 1 1 A 13 13 GLY HA3 H 73 4.200 3.841 0.359 1
1 129 . 40 1 1 A 13 13 GLY C C 73 173.960 173.686 0.274 1
1 130 . 40 1 1 A 13 13 GLY CA C 73 45.350 45.352 -0.002 1
1 131 . 40 1 1 A 13 13 GLY N N 73 103.500 103.774 -0.274 1
1 132 . 40 1 1 A 14 14 GLU H H 74 7.660 7.934 -0.274 1
1 133 . 40 1 1 A 14 14 GLU HA H 74 4.640 4.561 0.079 1
1 138 . 40 1 1 A 14 14 GLU C C 74 176.170 175.889 0.281 1
1 139 . 40 1 1 A 14 14 GLU CA C 74 54.460 55.104 -0.644 1
1 140 . 40 1 1 A 14 14 GLU CB C 74 32.050 31.168 0.882 1
1 142 . 40 1 1 A 14 14 GLU N N 74 121.330 120.499 0.831 1
1 143 . 40 1 1 A 15 15 ARG H H 75 9.000 8.632 0.368 1
1 144 . 40 1 1 A 15 15 ARG HA H 75 4.120 4.416 -0.296 1
1 150 . 40 1 1 A 15 15 ARG C C 75 175.230 175.840 -0.610 1
1 151 . 40 1 1 A 15 15 ARG CA C 75 56.640 55.351 1.289 1
1 152 . 40 1 1 A 15 15 ARG CB C 75 29.720 28.588 1.132 1
1 155 . 40 1 1 A 15 15 ARG N N 75 127.990 124.935 3.055 1
1 156 . 40 1 1 A 16 16 CYS H H 76 8.870 8.959 -0.089 1
1 157 . 40 1 1 A 16 16 CYS HA H 76 4.170 4.333 -0.163 1
1 160 . 40 1 1 A 16 16 CYS CA C 76 61.840 61.208 0.632 1
1 161 . 40 1 1 A 16 16 CYS CB C 76 31.150 28.064 3.086 1
1 162 . 40 1 1 A 16 16 CYS N N 76 131.840 119.059 12.781 1
1 163 . 40 1 1 A 17 17 GLY H H 77 8.530 7.860 0.670 1
1 164 . 40 1 1 A 17 17 GLY HA2 H 77 3.680 3.976 -0.296 1
1 165 . 40 1 1 A 17 17 GLY HA3 H 77 4.340 3.994 0.346 1
1 166 . 40 1 1 A 17 17 GLY C C 77 174.620 174.349 0.271 1
1 167 . 40 1 1 A 17 17 GLY CA C 77 45.110 45.003 0.107 1
1 168 . 40 1 1 A 17 17 GLY N N 77 111.930 108.527 3.403 1
1 169 . 40 1 1 A 18 18 ARG H H 78 8.960 7.873 1.087 1
1 170 . 40 1 1 A 18 18 ARG HA H 78 4.290 4.293 -0.003 1
1 177 . 40 1 1 A 18 18 ARG C C 78 175.270 176.141 -0.871 1
1 178 . 40 1 1 A 18 18 ARG CA C 78 56.350 55.806 0.544 1
1 179 . 40 1 1 A 18 18 ARG CB C 78 31.310 31.285 0.025 1
1 182 . 40 1 1 A 18 18 ARG N N 78 124.390 122.566 1.824 1
1 183 . 40 1 1 A 19 19 ALA H H 79 8.340 8.297 0.043 1
1 184 . 40 1 1 A 19 19 ALA HA H 79 4.170 4.405 -0.235 1
1 188 . 40 1 1 A 19 19 ALA C C 79 177.620 177.435 0.185 1
1 189 . 40 1 1 A 19 19 ALA CA C 79 52.710 52.292 0.418 1
1 190 . 40 1 1 A 19 19 ALA CB C 79 18.710 19.216 -0.506 1
1 191 . 40 1 1 A 19 19 ALA N N 79 123.880 126.772 -2.892 1
1 192 . 40 1 1 A 20 20 ALA H H 80 8.470 8.361 0.109 1
1 193 . 40 1 1 A 20 20 ALA HA H 80 3.540 4.688 -1.148 1
1 197 . 40 1 1 A 20 20 ALA C C 80 177.560 177.814 -0.254 1
1 198 . 40 1 1 A 20 20 ALA CA C 80 52.840 51.704 1.136 1
1 199 . 40 1 1 A 20 20 ALA CB C 80 19.050 19.306 -0.256 1
1 200 . 40 1 1 A 20 20 ALA N N 80 124.580 123.014 1.566 1
1 201 . 40 1 1 A 21 21 GLY H H 81 8.090 8.794 -0.704 1
1 202 . 40 1 1 A 21 21 GLY HA2 H 81 3.800 4.131 -0.331 1
1 203 . 40 1 1 A 21 21 GLY HA3 H 81 4.430 4.170 0.260 1
1 204 . 40 1 1 A 21 21 GLY C C 81 173.170 174.454 -1.284 1
1 205 . 40 1 1 A 21 21 GLY CA C 81 44.390 44.526 -0.136 1
1 206 . 40 1 1 A 21 21 GLY N N 81 114.000 108.297 5.703 1
1 207 . 40 1 1 A 22 22 ASN H H 82 8.690 8.594 0.096 1
1 208 . 40 1 1 A 22 22 ASN HA H 82 4.650 4.882 -0.232 1
1 213 . 40 1 1 A 22 22 ASN C C 82 176.260 175.214 1.046 1
1 214 . 40 1 1 A 22 22 ASN CA C 82 53.580 52.590 0.990 1
1 215 . 40 1 1 A 22 22 ASN CB C 82 39.580 39.105 0.475 1
1 216 . 40 1 1 A 22 22 ASN N N 82 118.160 121.832 -3.672 1
1 218 . 40 1 1 A 23 23 ALA H H 83 8.720 7.535 1.185 1
1 219 . 40 1 1 A 23 23 ALA HA H 83 4.570 4.445 0.125 1
1 223 . 40 1 1 A 23 23 ALA C C 83 175.910 176.474 -0.564 1
1 224 . 40 1 1 A 23 23 ALA CA C 83 52.340 51.977 0.363 1
1 225 . 40 1 1 A 23 23 ALA CB C 83 19.370 20.787 -1.417 1
1 226 . 40 1 1 A 23 23 ALA N N 83 125.180 121.926 3.254 1
1 227 . 40 1 1 A 24 24 SER H H 84 7.970 8.535 -0.565 1
1 228 . 40 1 1 A 24 24 SER HA H 84 5.310 5.350 -0.040 1
1 230 . 40 1 1 A 24 24 SER C C 84 174.620 172.060 2.560 1
1 231 . 40 1 1 A 24 24 SER CA C 84 56.550 57.188 -0.638 1
1 232 . 40 1 1 A 24 24 SER CB C 84 66.420 66.631 -0.211 1
1 233 . 40 1 1 A 24 24 SER N N 84 112.840 115.149 -2.309 1
1 234 . 40 1 1 A 25 25 PHE H H 85 9.580 8.992 0.588 1
1 235 . 40 1 1 A 25 25 PHE HA H 85 4.320 5.010 -0.690 1
1 241 . 40 1 1 A 25 25 PHE C C 85 173.430 174.543 -1.113 1
1 242 . 40 1 1 A 25 25 PHE CA C 85 57.780 56.795 0.985 1
1 243 . 40 1 1 A 25 25 PHE CB C 85 38.780 40.359 -1.579 1
1 247 . 40 1 1 A 25 25 PHE N N 85 125.520 126.174 -0.654 1
1 248 . 40 1 1 A 26 26 SER H H 86 6.780 8.367 -1.587 1
1 249 . 40 1 1 A 26 26 SER HA H 86 4.430 4.822 -0.392 1
1 252 . 40 1 1 A 26 26 SER C C 86 174.200 174.961 -0.761 1
1 253 . 40 1 1 A 26 26 SER CA C 86 56.610 55.982 0.628 1
1 254 . 40 1 1 A 26 26 SER CB C 86 66.010 65.772 0.238 1
1 255 . 40 1 1 A 26 26 SER N N 86 118.860 118.795 0.065 1
1 256 . 40 1 1 A 27 27 LYS H H 87 8.710 8.542 0.168 1
1 257 . 40 1 1 A 27 27 LYS HA H 87 3.850 3.761 0.089 1
1 263 . 40 1 1 A 27 27 LYS C C 87 178.490 179.136 -0.646 1
1 264 . 40 1 1 A 27 27 LYS CA C 87 59.390 59.156 0.234 1
1 265 . 40 1 1 A 27 27 LYS CB C 87 31.970 32.486 -0.516 1
1 269 . 40 1 1 A 27 27 LYS N N 87 121.790 118.817 2.973 1
1 270 . 40 1 1 A 28 28 ARG H H 88 8.010 7.703 0.307 1
1 271 . 40 1 1 A 28 28 ARG HA H 88 3.990 4.006 -0.016 1
1 277 . 40 1 1 A 28 28 ARG C C 88 178.890 178.499 0.391 1
1 278 . 40 1 1 A 28 28 ARG CA C 88 59.010 58.674 0.336 1
1 279 . 40 1 1 A 28 28 ARG CB C 88 30.120 29.978 0.142 1
1 282 . 40 1 1 A 28 28 ARG N N 88 119.520 119.741 -0.221 1
1 283 . 40 1 1 A 29 29 ILE H H 89 7.350 7.387 -0.037 1
1 284 . 40 1 1 A 29 29 ILE HA H 89 3.680 3.672 0.008 1
1 294 . 40 1 1 A 29 29 ILE C C 89 177.620 177.599 0.021 1
1 295 . 40 1 1 A 29 29 ILE CA C 89 63.170 65.299 -2.129 1
1 296 . 40 1 1 A 29 29 ILE CB C 89 36.900 36.987 -0.087 1
1 300 . 40 1 1 A 29 29 ILE N N 89 121.980 119.992 1.988 1
1 301 . 40 1 1 A 30 30 GLN H H 90 7.990 7.465 0.525 1
1 302 . 40 1 1 A 30 30 GLN HA H 90 3.630 3.928 -0.298 1
1 308 . 40 1 1 A 30 30 GLN C C 90 178.320 178.207 0.113 1
1 309 . 40 1 1 A 30 30 GLN CA C 90 59.200 59.019 0.181 1
1 310 . 40 1 1 A 30 30 GLN CB C 90 28.700 28.039 0.661 1
1 312 . 40 1 1 A 30 30 GLN N N 90 121.020 120.490 0.530 1
1 314 . 40 1 1 A 31 31 LYS H H 91 7.990 8.129 -0.139 1
1 315 . 40 1 1 A 31 31 LYS HA H 91 4.090 4.051 0.039 1
1 321 . 40 1 1 A 31 31 LYS C C 91 178.650 178.452 0.198 1
1 322 . 40 1 1 A 31 31 LYS CA C 91 58.720 59.394 -0.674 1
1 323 . 40 1 1 A 31 31 LYS CB C 91 32.220 32.302 -0.082 1
1 327 . 40 1 1 A 31 31 LYS N N 91 119.520 119.361 0.159 1
1 328 . 40 1 1 A 32 32 SER H H 92 7.770 7.830 -0.060 1
1 329 . 40 1 1 A 32 32 SER HA H 92 4.320 4.168 0.152 1
1 332 . 40 1 1 A 32 32 SER C C 92 176.110 177.375 -1.265 1
1 333 . 40 1 1 A 32 32 SER CA C 92 61.260 61.502 -0.242 1
1 334 . 40 1 1 A 32 32 SER CB C 92 63.610 62.952 0.658 1
1 335 . 40 1 1 A 32 32 SER N N 92 116.310 113.861 2.449 1
1 336 . 40 1 1 A 33 33 ILE H H 93 7.960 7.924 0.036 1
1 337 . 40 1 1 A 33 33 ILE HA H 93 3.920 3.656 0.264 1
1 347 . 40 1 1 A 33 33 ILE C C 93 177.480 178.010 -0.530 1
1 348 . 40 1 1 A 33 33 ILE CA C 93 63.610 64.821 -1.211 1
1 349 . 40 1 1 A 33 33 ILE CB C 93 38.330 37.657 0.673 1
1 353 . 40 1 1 A 33 33 ILE N N 93 119.950 122.349 -2.399 1
1 354 . 40 1 1 A 34 34 SER H H 94 7.970 8.125 -0.155 1
1 355 . 40 1 1 A 34 34 SER HA H 94 4.390 4.034 0.356 1
1 357 . 40 1 1 A 34 34 SER C C 94 176.490 176.131 0.359 1
1 358 . 40 1 1 A 34 34 SER CA C 94 60.560 61.824 -1.264 1
1 359 . 40 1 1 A 34 34 SER CB C 94 63.130 62.550 0.580 1
1 360 . 40 1 1 A 34 34 SER N N 94 117.230 115.562 1.668 1
1 361 . 40 1 1 A 35 35 GLN H H 95 8.220 8.371 -0.151 1
1 362 . 40 1 1 A 35 35 GLN HA H 95 4.260 3.940 0.320 1
1 369 . 40 1 1 A 35 35 GLN C C 95 177.050 178.006 -0.956 1
1 370 . 40 1 1 A 35 35 GLN CA C 95 57.360 59.003 -1.643 1
1 371 . 40 1 1 A 35 35 GLN CB C 95 28.900 28.220 0.680 1
1 373 . 40 1 1 A 35 35 GLN N N 95 121.530 121.432 0.098 1
1 375 . 40 1 1 A 36 36 LYS H H 96 7.870 7.715 0.155 1
1 376 . 40 1 1 A 36 36 LYS HA H 96 4.280 4.048 0.232 1
1 383 . 40 1 1 A 36 36 LYS C C 96 176.160 176.382 -0.222 1
1 384 . 40 1 1 A 36 36 LYS CA C 96 56.570 59.258 -2.688 1
1 385 . 40 1 1 A 36 36 LYS CB C 96 33.600 32.449 1.151 1
1 389 . 40 1 1 A 36 36 LYS N N 96 118.550 118.178 0.372 1
1 390 . 40 1 1 A 37 37 LYS H H 97 8.110 7.905 0.205 1
1 391 . 40 1 1 A 37 37 LYS HA H 97 4.110 3.929 0.181 1
1 396 . 40 1 1 A 37 37 LYS C C 97 176.210 175.601 0.609 1
1 397 . 40 1 1 A 37 37 LYS CA C 97 57.230 57.002 0.228 1
1 398 . 40 1 1 A 37 37 LYS CB C 97 30.580 30.293 0.287 1
1 402 . 40 1 1 A 37 37 LYS N N 97 117.680 116.716 0.964 1
1 403 . 40 1 1 A 38 38 VAL H H 98 7.430 7.770 -0.340 1
1 404 . 40 1 1 A 38 38 VAL HA H 98 4.350 4.954 -0.604 1
1 412 . 40 1 1 A 38 38 VAL C C 98 175.830 174.642 1.188 1
1 413 . 40 1 1 A 38 38 VAL CA C 98 60.580 58.832 1.748 1
1 414 . 40 1 1 A 38 38 VAL CB C 98 33.410 36.565 -3.155 1
1 417 . 40 1 1 A 38 38 VAL N N 98 115.860 114.778 1.082 1
1 418 . 40 1 1 A 39 39 LYS H H 99 8.960 8.494 0.466 1
1 419 . 40 1 1 A 39 39 LYS HA H 99 4.430 4.580 -0.150 1
1 425 . 40 1 1 A 39 39 LYS C C 99 175.700 175.036 0.664 1
1 426 . 40 1 1 A 39 39 LYS CA C 99 55.420 55.776 -0.356 1
1 427 . 40 1 1 A 39 39 LYS CB C 99 30.580 31.184 -0.604 1
1 431 . 40 1 1 A 39 39 LYS N N 99 127.710 120.389 7.321 1
1 432 . 40 1 1 A 40 40 ILE H H 100 7.660 8.062 -0.402 1
1 433 . 40 1 1 A 40 40 ILE HA H 100 5.020 4.867 0.153 1
1 443 . 40 1 1 A 40 40 ILE C C 100 174.520 175.051 -0.531 1
1 444 . 40 1 1 A 40 40 ILE CA C 100 59.370 60.777 -1.407 1
1 445 . 40 1 1 A 40 40 ILE CB C 100 40.650 39.953 0.697 1
1 449 . 40 1 1 A 40 40 ILE N N 100 123.140 124.565 -1.425 1
1 450 . 40 1 1 A 41 41 GLU H H 101 8.490 8.925 -0.435 1
1 451 . 40 1 1 A 41 41 GLU HA H 101 4.620 4.974 -0.354 1
1 456 . 40 1 1 A 41 41 GLU C C 101 173.590 175.059 -1.469 1
1 457 . 40 1 1 A 41 41 GLU CA C 101 53.740 54.338 -0.598 1
1 458 . 40 1 1 A 41 41 GLU CB C 101 34.580 33.326 1.254 1
1 460 . 40 1 1 A 41 41 GLU N N 101 123.460 124.530 -1.070 1
1 461 . 40 1 1 A 42 42 LEU H H 102 8.490 8.287 0.203 1
1 462 . 40 1 1 A 42 42 LEU HA H 102 3.790 4.218 -0.428 1
1 472 . 40 1 1 A 42 42 LEU C C 102 176.440 175.954 0.486 1
1 473 . 40 1 1 A 42 42 LEU CA C 102 55.190 54.939 0.251 1
1 474 . 40 1 1 A 42 42 LEU CB C 102 43.100 42.624 0.476 1
1 478 . 40 1 1 A 42 42 LEU N N 102 123.470 124.487 -1.017 1
1 479 . 40 1 1 A 43 43 ASP H H 103 8.770 8.049 0.721 1
1 480 . 40 1 1 A 43 43 ASP HA H 103 4.520 4.687 -0.167 1
1 483 . 40 1 1 A 43 43 ASP C C 103 177.600 176.979 0.621 1
1 484 . 40 1 1 A 43 43 ASP CA C 103 53.740 53.428 0.312 1
1 485 . 40 1 1 A 43 43 ASP CB C 103 41.880 40.766 1.114 1
1 486 . 40 1 1 A 43 43 ASP N N 103 127.210 126.298 0.912 1
1 487 . 40 1 1 A 44 44 LYS H H 104 8.910 8.802 0.108 1
1 488 . 40 1 1 A 44 44 LYS HA H 104 3.920 4.133 -0.213 1
1 495 . 40 1 1 A 44 44 LYS C C 104 177.340 177.407 -0.067 1
1 496 . 40 1 1 A 44 44 LYS CA C 104 58.930 58.413 0.517 1
1 497 . 40 1 1 A 44 44 LYS CB C 104 32.000 32.128 -0.128 1
1 501 . 40 1 1 A 44 44 LYS N N 104 129.080 127.335 1.745 1
1 502 . 40 1 1 A 45 45 SER H H 105 8.740 7.543 1.197 1
1 503 . 40 1 1 A 45 45 SER HA H 105 4.370 4.536 -0.166 1
1 506 . 40 1 1 A 45 45 SER C C 105 175.040 174.054 0.986 1
1 507 . 40 1 1 A 45 45 SER CA C 105 59.150 58.040 1.110 1
1 508 . 40 1 1 A 45 45 SER CB C 105 63.830 62.795 1.035 1
1 509 . 40 1 1 A 45 45 SER N N 105 115.270 110.870 4.400 1
1 510 . 40 1 1 A 46 46 ALA H H 106 7.430 7.464 -0.034 1
1 511 . 40 1 1 A 46 46 ALA HA H 106 4.150 4.669 -0.519 1
1 515 . 40 1 1 A 46 46 ALA CA C 106 53.300 50.172 3.128 1
1 516 . 40 1 1 A 46 46 ALA CB C 106 19.190 20.033 -0.843 1
1 517 . 40 1 1 A 46 46 ALA N N 106 125.120 123.099 2.021 1
1 518 . 40 1 1 A 47 47 ARG HA H 107 4.280 4.588 -0.308 1
1 526 . 40 1 1 A 48 48 HIS HA H 108 4.650 4.769 -0.119 1
1 531 . 40 1 1 A 48 48 HIS C C 108 173.160 174.491 -1.331 1
1 532 . 40 1 1 A 48 48 HIS CA C 108 54.990 54.691 0.299 1
1 533 . 40 1 1 A 48 48 HIS CB C 108 33.400 32.266 1.134 1
1 538 . 40 1 1 A 49 49 LEU H H 109 8.030 8.916 -0.886 1
1 539 . 40 1 1 A 49 49 LEU HA H 109 5.040 4.590 0.450 1
1 549 . 40 1 1 A 49 49 LEU CA C 109 54.480 53.715 0.765 1
1 550 . 40 1 1 A 49 49 LEU CB C 109 43.010 42.729 0.281 1
1 554 . 40 1 1 A 49 49 LEU N N 109 120.130 119.927 0.203 1
1 555 . 40 1 1 A 50 50 TYR HA H 110 5.020 5.320 -0.300 1
1 560 . 40 1 1 A 50 50 TYR C C 110 176.960 175.988 0.972 1
1 561 . 40 1 1 A 50 50 TYR CA C 110 60.340 56.790 3.550 1
1 562 . 40 1 1 A 50 50 TYR CB C 110 39.210 41.025 -1.815 1
1 565 . 40 1 1 A 51 51 ILE H H 111 8.510 8.873 -0.363 1
1 566 . 40 1 1 A 51 51 ILE HA H 111 5.960 4.805 1.155 1
1 576 . 40 1 1 A 51 51 ILE C C 111 177.900 176.236 1.664 1
1 577 . 40 1 1 A 51 51 ILE CA C 111 58.100 59.353 -1.253 1
1 578 . 40 1 1 A 51 51 ILE CB C 111 41.370 40.375 0.995 1
1 582 . 40 1 1 A 51 51 ILE N N 111 115.050 120.100 -5.050 1
1 583 . 40 1 1 A 52 52 CYS H H 112 9.830 8.928 0.902 1
1 584 . 40 1 1 A 52 52 CYS HA H 112 5.000 4.960 0.040 1
1 587 . 40 1 1 A 52 52 CYS C C 112 175.420 175.819 -0.399 1
1 588 . 40 1 1 A 52 52 CYS CA C 112 57.770 57.391 0.379 1
1 589 . 40 1 1 A 52 52 CYS CB C 112 33.120 30.127 2.993 1
1 590 . 40 1 1 A 52 52 CYS N N 112 125.820 121.882 3.938 1
1 591 . 40 1 1 A 53 53 ASP H H 113 9.000 8.980 0.020 1
1 592 . 40 1 1 A 53 53 ASP HA H 113 4.510 4.341 0.169 1
1 594 . 40 1 1 A 53 53 ASP C C 113 178.140 178.075 0.065 1
1 595 . 40 1 1 A 53 53 ASP CA C 113 57.330 57.442 -0.112 1
1 596 . 40 1 1 A 53 53 ASP CB C 113 39.730 40.351 -0.621 1
1 597 . 40 1 1 A 53 53 ASP N N 113 121.960 120.698 1.262 1
1 598 . 40 1 1 A 54 54 TYR H H 114 8.220 8.123 0.097 1
1 599 . 40 1 1 A 54 54 TYR HA H 114 4.100 4.192 -0.092 1
1 604 . 40 1 1 A 54 54 TYR C C 114 178.410 177.171 1.239 1
1 605 . 40 1 1 A 54 54 TYR CA C 114 61.970 61.661 0.309 1
1 606 . 40 1 1 A 54 54 TYR CB C 114 37.150 39.183 -2.033 1
1 609 . 40 1 1 A 54 54 TYR N N 114 123.510 122.481 1.029 1
1 610 . 40 1 1 A 55 55 HIS H H 115 10.090 7.882 2.208 1
1 611 . 40 1 1 A 55 55 HIS HA H 115 4.040 4.146 -0.106 1
1 616 . 40 1 1 A 55 55 HIS C C 115 177.240 177.581 -0.341 1
1 617 . 40 1 1 A 55 55 HIS CA C 115 63.870 59.357 4.513 1
1 618 . 40 1 1 A 55 55 HIS CB C 115 29.600 29.881 -0.281 1
1 621 . 40 1 1 A 55 55 HIS N N 115 124.830 116.957 7.873 1
1 624 . 40 1 1 A 56 56 LYS H H 116 8.830 8.302 0.528 1
1 625 . 40 1 1 A 56 56 LYS HA H 116 3.720 3.907 -0.187 1
1 633 . 40 1 1 A 56 56 LYS C C 116 178.140 178.618 -0.478 1
1 634 . 40 1 1 A 56 56 LYS CA C 116 60.590 59.998 0.592 1
1 635 . 40 1 1 A 56 56 LYS CB C 116 32.230 32.088 0.142 1
1 639 . 40 1 1 A 56 56 LYS N N 116 123.340 120.989 2.351 1
1 640 . 40 1 1 A 57 57 ASN H H 117 8.140 8.341 -0.201 1
1 641 . 40 1 1 A 57 57 ASN HA H 117 4.340 4.490 -0.150 1
1 646 . 40 1 1 A 57 57 ASN C C 117 177.570 177.500 0.070 1
1 647 . 40 1 1 A 57 57 ASN CA C 117 55.890 55.691 0.199 1
1 648 . 40 1 1 A 57 57 ASN CB C 117 38.070 38.993 -0.923 1
1 649 . 40 1 1 A 57 57 ASN N N 117 116.920 118.305 -1.385 1
1 651 . 40 1 1 A 58 58 LEU H H 118 7.890 7.654 0.236 1
1 652 . 40 1 1 A 58 58 LEU HA H 118 3.930 4.038 -0.108 1
1 662 . 40 1 1 A 58 58 LEU C C 118 179.400 178.841 0.559 1
1 663 . 40 1 1 A 58 58 LEU CA C 118 58.420 57.662 0.758 1
1 664 . 40 1 1 A 58 58 LEU CB C 118 43.170 41.582 1.588 1
1 668 . 40 1 1 A 58 58 LEU N N 118 123.590 119.917 3.673 1
1 669 . 40 1 1 A 59 59 ILE H H 119 8.360 8.125 0.235 1
1 670 . 40 1 1 A 59 59 ILE HA H 119 3.470 3.778 -0.308 1
1 680 . 40 1 1 A 59 59 ILE C C 119 177.290 177.818 -0.528 1
1 681 . 40 1 1 A 59 59 ILE CA C 119 65.260 64.369 0.891 1
1 682 . 40 1 1 A 59 59 ILE CB C 119 38.330 37.881 0.449 1
1 686 . 40 1 1 A 59 59 ILE N N 119 118.630 119.476 -0.846 1
1 687 . 40 1 1 A 60 60 GLN H H 120 7.830 8.241 -0.411 1
1 688 . 40 1 1 A 60 60 GLN HA H 120 4.130 4.057 0.073 1
1 694 . 40 1 1 A 60 60 GLN C C 120 177.240 176.703 0.537 1
1 695 . 40 1 1 A 60 60 GLN CA C 120 57.750 59.018 -1.268 1
1 696 . 40 1 1 A 60 60 GLN CB C 120 28.910 28.655 0.255 1
1 698 . 40 1 1 A 60 60 GLN N N 120 117.840 120.373 -2.533 1
1 700 . 40 1 1 A 61 61 SER H H 121 7.790 7.995 -0.205 1
1 701 . 40 1 1 A 61 61 SER HA H 121 4.300 4.601 -0.301 1
1 703 . 40 1 1 A 61 61 SER C C 121 175.650 174.576 1.074 1
1 704 . 40 1 1 A 61 61 SER CA C 121 60.090 56.790 3.300 1
1 705 . 40 1 1 A 61 61 SER CB C 121 63.570 62.347 1.223 1
1 706 . 40 1 1 A 61 61 SER N N 121 115.460 114.341 1.119 1
1 707 . 40 1 1 A 62 62 VAL H H 122 8.020 8.130 -0.110 1
1 708 . 40 1 1 A 62 62 VAL HA H 122 4.020 4.313 -0.293 1
1 716 . 40 1 1 A 62 62 VAL C C 122 176.960 176.941 0.019 1
1 717 . 40 1 1 A 62 62 VAL CA C 122 63.600 63.277 0.323 1
1 718 . 40 1 1 A 62 62 VAL CB C 122 32.300 34.653 -2.353 1
1 721 . 40 1 1 A 62 62 VAL N N 122 121.600 123.682 -2.082 1
1 722 . 40 1 1 A 63 63 ARG H H 123 8.130 8.309 -0.179 1
1 723 . 40 1 1 A 63 63 ARG HA H 123 4.190 4.542 -0.352 1
1 729 . 40 1 1 A 63 63 ARG C C 123 176.490 176.636 -0.146 1
1 730 . 40 1 1 A 63 63 ARG CA C 123 57.070 55.143 1.927 1
1 731 . 40 1 1 A 63 63 ARG CB C 123 30.780 30.333 0.447 1
1 734 . 40 1 1 A 63 63 ARG N N 123 122.770 119.422 3.348 1
1 735 . 40 1 1 A 64 64 ASN H H 124 8.210 8.297 -0.087 1
1 736 . 40 1 1 A 64 64 ASN HA H 124 4.650 4.935 -0.285 1
1 741 . 40 1 1 A 64 64 ASN C C 124 175.310 174.204 1.106 1
1 742 . 40 1 1 A 64 64 ASN CA C 124 53.500 52.558 0.942 1
1 743 . 40 1 1 A 64 64 ASN CB C 124 38.840 39.684 -0.844 1
1 744 . 40 1 1 A 64 64 ASN N N 124 119.350 115.675 3.675 1
1 746 . 40 1 1 A 65 65 ARG H H 125 8.100 7.804 0.296 1
1 747 . 40 1 1 A 65 65 ARG HA H 125 4.270 4.761 -0.491 1
1 752 . 40 1 1 A 65 65 ARG C C 125 176.310 175.166 1.144 1
1 753 . 40 1 1 A 65 65 ARG CA C 125 56.580 54.491 2.089 1
1 754 . 40 1 1 A 65 65 ARG CB C 125 30.810 33.377 -2.567 1
1 757 . 40 1 1 A 65 65 ARG N N 125 122.230 119.103 3.127 1
1 758 . 40 1 1 A 66 66 ARG H H 126 8.260 8.642 -0.382 1
1 759 . 40 1 1 A 66 66 ARG HA H 126 4.270 4.661 -0.391 1
1 764 . 40 1 1 A 66 66 ARG C C 126 176.210 175.587 0.623 1
1 765 . 40 1 1 A 66 66 ARG CA C 126 56.190 54.989 1.201 1
1 766 . 40 1 1 A 66 66 ARG CB C 126 30.810 31.449 -0.639 1
1 769 . 40 1 1 A 66 66 ARG N N 126 122.760 118.814 3.946 1
1 770 . 40 1 1 A 67 67 LYS H H 127 8.270 7.936 0.334 1
1 771 . 40 1 1 A 67 67 LYS HA H 127 4.260 4.037 0.223 1
1 776 . 40 1 1 A 67 67 LYS C C 127 176.450 176.794 -0.344 1
1 777 . 40 1 1 A 67 67 LYS CA C 127 56.320 57.207 -0.887 1
1 778 . 40 1 1 A 67 67 LYS CB C 127 33.180 30.822 2.358 1
1 782 . 40 1 1 A 67 67 LYS N N 127 123.620 117.368 6.252 1
1 783 . 40 1 1 A 68 68 ARG H H 128 8.340 7.992 0.348 1
1 784 . 40 1 1 A 68 68 ARG HA H 128 4.270 3.867 0.403 1
1 788 . 40 1 1 A 68 68 ARG C C 128 176.250 176.069 0.181 1
1 789 . 40 1 1 A 68 68 ARG CA C 128 56.130 59.004 -2.874 1
1 790 . 40 1 1 A 68 68 ARG CB C 128 31.060 30.211 0.849 1
1 793 . 40 1 1 A 68 68 ARG N N 128 123.750 121.284 2.466 1
1 794 . 40 1 1 A 69 69 LYS H H 129 8.450 7.885 0.565 1
1 795 . 40 1 1 A 69 69 LYS HA H 129 4.250 3.987 0.263 1
1 800 . 40 1 1 A 69 69 LYS C C 129 177.010 177.237 -0.227 1
1 801 . 40 1 1 A 69 69 LYS CA C 129 57.000 58.664 -1.664 1
1 802 . 40 1 1 A 69 69 LYS CB C 129 32.940 31.290 1.650 1
1 806 . 40 1 1 A 69 69 LYS N N 129 124.580 118.675 5.905 1
1 807 . 40 1 1 A 70 70 GLY H H 130 8.500 8.338 0.162 1
1 808 . 40 1 1 A 70 70 GLY HA2 H 130 3.910 4.077 -0.167 1
1 809 . 40 1 1 A 70 70 GLY HA3 H 130 4.010 4.077 -0.067 1
1 810 . 40 1 1 A 70 70 GLY C C 130 173.360 174.220 -0.860 1
1 811 . 40 1 1 A 70 70 GLY CA C 130 45.370 46.327 -0.957 1
1 812 . 40 1 1 A 70 70 GLY N N 130 112.470 109.015 3.455 1
1 6 . 41 1 1 A 2 2 ASN HA H 62 4.610 4.939 -0.329 1
1 10 . 41 1 1 A 2 2 ASN C C 62 174.760 173.506 1.254 1
1 11 . 41 1 1 A 2 2 ASN CA C 62 53.100 52.356 0.744 1
1 12 . 41 1 1 A 2 2 ASN CB C 62 38.790 39.307 -0.517 1
1 14 . 41 1 1 A 3 3 ALA H H 63 8.300 7.851 0.449 1
1 15 . 41 1 1 A 3 3 ALA HA H 63 4.200 4.635 -0.435 1
1 19 . 41 1 1 A 3 3 ALA C C 63 178.180 176.868 1.312 1
1 20 . 41 1 1 A 3 3 ALA CA C 63 53.070 51.386 1.684 1
1 21 . 41 1 1 A 3 3 ALA CB C 63 18.960 22.601 -3.641 1
1 22 . 41 1 1 A 3 3 ALA N N 63 125.390 120.298 5.092 1
1 23 . 41 1 1 A 4 4 GLY H H 64 8.340 8.621 -0.281 1
1 24 . 41 1 1 A 4 4 GLY HA2 H 64 3.800 3.850 -0.050 1
1 25 . 41 1 1 A 4 4 GLY HA3 H 64 3.860 3.861 -0.001 1
1 26 . 41 1 1 A 4 4 GLY C C 64 174.010 175.287 -1.277 1
1 27 . 41 1 1 A 4 4 GLY CA C 64 45.350 46.499 -1.149 1
1 28 . 41 1 1 A 4 4 GLY N N 64 109.300 109.715 -0.415 1
1 29 . 41 1 1 A 5 5 GLN H H 65 7.950 7.817 0.133 1
1 30 . 41 1 1 A 5 5 GLN HA H 65 4.330 4.380 -0.050 1
1 35 . 41 1 1 A 5 5 GLN C C 65 175.560 174.981 0.579 1
1 36 . 41 1 1 A 5 5 GLN CA C 65 55.400 55.910 -0.510 1
1 37 . 41 1 1 A 5 5 GLN CB C 65 29.860 30.501 -0.641 1
1 39 . 41 1 1 A 5 5 GLN N N 65 119.540 118.825 0.715 1
1 41 . 41 1 1 A 6 6 LEU H H 66 8.740 8.403 0.337 1
1 42 . 41 1 1 A 6 6 LEU HA H 66 4.610 4.930 -0.320 1
1 52 . 41 1 1 A 6 6 LEU C C 66 175.750 176.165 -0.415 1
1 53 . 41 1 1 A 6 6 LEU CA C 66 54.010 53.461 0.549 1
1 54 . 41 1 1 A 6 6 LEU CB C 66 43.490 44.302 -0.812 1
1 58 . 41 1 1 A 6 6 LEU N N 66 126.120 121.474 4.646 1
1 59 . 41 1 1 A 7 7 CYS H H 67 8.470 8.554 -0.084 1
1 60 . 41 1 1 A 7 7 CYS HA H 67 4.140 4.483 -0.343 1
1 63 . 41 1 1 A 7 7 CYS C C 67 175.320 176.332 -1.012 1
1 64 . 41 1 1 A 7 7 CYS CA C 67 60.780 59.894 0.886 1
1 65 . 41 1 1 A 7 7 CYS CB C 67 32.850 28.500 4.350 1
1 66 . 41 1 1 A 7 7 CYS N N 67 123.170 123.368 -0.198 1
1 67 . 41 1 1 A 8 8 CYS H H 68 8.170 8.749 -0.579 1
1 68 . 41 1 1 A 8 8 CYS HA H 68 4.280 4.668 -0.388 1
1 72 . 41 1 1 A 8 8 CYS C C 68 172.410 174.151 -1.741 1
1 73 . 41 1 1 A 8 8 CYS CA C 68 58.920 58.668 0.252 1
1 74 . 41 1 1 A 8 8 CYS CB C 68 28.920 27.995 0.925 1
1 75 . 41 1 1 A 8 8 CYS N N 68 124.700 122.462 2.238 1
1 76 . 41 1 1 A 9 9 LEU H H 69 8.180 7.202 0.978 1
1 77 . 41 1 1 A 9 9 LEU HA H 69 4.580 4.780 -0.200 1
1 87 . 41 1 1 A 9 9 LEU C C 69 176.770 175.919 0.851 1
1 88 . 41 1 1 A 9 9 LEU CA C 69 54.760 53.200 1.560 1
1 89 . 41 1 1 A 9 9 LEU CB C 69 43.150 45.379 -2.229 1
1 93 . 41 1 1 A 9 9 LEU N N 69 122.650 122.606 0.044 1
1 94 . 41 1 1 A 10 10 ARG H H 70 8.880 8.892 -0.012 1
1 95 . 41 1 1 A 10 10 ARG HA H 70 4.770 5.382 -0.612 1
1 102 . 41 1 1 A 10 10 ARG C C 70 174.900 174.161 0.739 1
1 103 . 41 1 1 A 10 10 ARG CA C 70 54.710 54.381 0.329 1
1 104 . 41 1 1 A 10 10 ARG CB C 70 33.390 32.901 0.489 1
1 107 . 41 1 1 A 10 10 ARG N N 70 117.650 120.895 -3.245 1
1 108 . 41 1 1 A 11 11 GLU H H 71 8.640 9.228 -0.588 1
1 109 . 41 1 1 A 11 11 GLU HA H 71 5.090 4.757 0.333 1
1 113 . 41 1 1 A 11 11 GLU C C 71 176.070 175.612 0.458 1
1 114 . 41 1 1 A 11 11 GLU CA C 71 54.270 54.897 -0.627 1
1 115 . 41 1 1 A 11 11 GLU CB C 71 32.460 30.818 1.642 1
1 117 . 41 1 1 A 11 11 GLU N N 71 123.910 125.325 -1.415 1
1 118 . 41 1 1 A 12 12 ASP H H 72 9.510 8.972 0.538 1
1 119 . 41 1 1 A 12 12 ASP HA H 72 4.270 4.265 0.005 1
1 122 . 41 1 1 A 12 12 ASP C C 72 175.890 175.823 0.067 1
1 123 . 41 1 1 A 12 12 ASP CA C 72 55.880 55.210 0.670 1
1 124 . 41 1 1 A 12 12 ASP CB C 72 39.910 39.792 0.118 1
1 125 . 41 1 1 A 12 12 ASP N N 72 129.440 127.652 1.788 1
1 126 . 41 1 1 A 13 13 GLY H H 73 8.970 8.669 0.301 1
1 127 . 41 1 1 A 13 13 GLY HA2 H 73 3.520 3.850 -0.330 1
1 128 . 41 1 1 A 13 13 GLY HA3 H 73 4.200 3.852 0.348 1
1 129 . 41 1 1 A 13 13 GLY C C 73 173.960 173.617 0.343 1
1 130 . 41 1 1 A 13 13 GLY CA C 73 45.350 45.456 -0.106 1
1 131 . 41 1 1 A 13 13 GLY N N 73 103.500 103.792 -0.292 1
1 132 . 41 1 1 A 14 14 GLU H H 74 7.660 7.825 -0.165 1
1 133 . 41 1 1 A 14 14 GLU HA H 74 4.640 4.575 0.065 1
1 138 . 41 1 1 A 14 14 GLU C C 74 176.170 175.610 0.560 1
1 139 . 41 1 1 A 14 14 GLU CA C 74 54.460 55.084 -0.624 1
1 140 . 41 1 1 A 14 14 GLU CB C 74 32.050 31.358 0.692 1
1 142 . 41 1 1 A 14 14 GLU N N 74 121.330 120.591 0.739 1
1 143 . 41 1 1 A 15 15 ARG H H 75 9.000 8.904 0.096 1
1 144 . 41 1 1 A 15 15 ARG HA H 75 4.120 4.515 -0.395 1
1 150 . 41 1 1 A 15 15 ARG C C 75 175.230 175.796 -0.566 1
1 151 . 41 1 1 A 15 15 ARG CA C 75 56.640 55.117 1.523 1
1 152 . 41 1 1 A 15 15 ARG CB C 75 29.720 28.293 1.427 1
1 155 . 41 1 1 A 15 15 ARG N N 75 127.990 126.433 1.557 1
1 156 . 41 1 1 A 16 16 CYS H H 76 8.870 9.100 -0.230 1
1 157 . 41 1 1 A 16 16 CYS HA H 76 4.170 4.232 -0.062 1
1 160 . 41 1 1 A 16 16 CYS CA C 76 61.840 61.267 0.573 1
1 161 . 41 1 1 A 16 16 CYS CB C 76 31.150 27.426 3.724 1
1 162 . 41 1 1 A 16 16 CYS N N 76 131.840 116.553 15.287 1
1 163 . 41 1 1 A 17 17 GLY H H 77 8.530 7.964 0.566 1
1 164 . 41 1 1 A 17 17 GLY HA2 H 77 3.680 3.963 -0.283 1
1 165 . 41 1 1 A 17 17 GLY HA3 H 77 4.340 3.982 0.358 1
1 166 . 41 1 1 A 17 17 GLY C C 77 174.620 174.281 0.339 1
1 167 . 41 1 1 A 17 17 GLY CA C 77 45.110 44.991 0.119 1
1 168 . 41 1 1 A 17 17 GLY N N 77 111.930 107.473 4.457 1
1 169 . 41 1 1 A 18 18 ARG H H 78 8.960 7.808 1.152 1
1 170 . 41 1 1 A 18 18 ARG HA H 78 4.290 4.293 -0.003 1
1 177 . 41 1 1 A 18 18 ARG C C 78 175.270 176.205 -0.935 1
1 178 . 41 1 1 A 18 18 ARG CA C 78 56.350 55.802 0.548 1
1 179 . 41 1 1 A 18 18 ARG CB C 78 31.310 30.920 0.390 1
1 182 . 41 1 1 A 18 18 ARG N N 78 124.390 122.392 1.998 1
1 183 . 41 1 1 A 19 19 ALA H H 79 8.340 8.291 0.049 1
1 184 . 41 1 1 A 19 19 ALA HA H 79 4.170 4.600 -0.430 1
1 188 . 41 1 1 A 19 19 ALA C C 79 177.620 177.362 0.258 1
1 189 . 41 1 1 A 19 19 ALA CA C 79 52.710 52.621 0.089 1
1 190 . 41 1 1 A 19 19 ALA CB C 79 18.710 19.176 -0.466 1
1 191 . 41 1 1 A 19 19 ALA N N 79 123.880 127.253 -3.373 1
1 192 . 41 1 1 A 20 20 ALA H H 80 8.470 9.153 -0.683 1
1 193 . 41 1 1 A 20 20 ALA HA H 80 3.540 4.758 -1.218 1
1 197 . 41 1 1 A 20 20 ALA C C 80 177.560 177.655 -0.095 1
1 198 . 41 1 1 A 20 20 ALA CA C 80 52.840 51.448 1.392 1
1 199 . 41 1 1 A 20 20 ALA CB C 80 19.050 19.667 -0.617 1
1 200 . 41 1 1 A 20 20 ALA N N 80 124.580 123.127 1.453 1
1 201 . 41 1 1 A 21 21 GLY H H 81 8.090 8.136 -0.046 1
1 202 . 41 1 1 A 21 21 GLY HA2 H 81 3.800 4.101 -0.301 1
1 203 . 41 1 1 A 21 21 GLY HA3 H 81 4.430 4.128 0.302 1
1 204 . 41 1 1 A 21 21 GLY C C 81 173.170 174.591 -1.421 1
1 205 . 41 1 1 A 21 21 GLY CA C 81 44.390 44.571 -0.181 1
1 206 . 41 1 1 A 21 21 GLY N N 81 114.000 108.651 5.349 1
1 207 . 41 1 1 A 22 22 ASN H H 82 8.690 8.365 0.325 1
1 208 . 41 1 1 A 22 22 ASN HA H 82 4.650 4.991 -0.341 1
1 213 . 41 1 1 A 22 22 ASN C C 82 176.260 174.585 1.675 1
1 214 . 41 1 1 A 22 22 ASN CA C 82 53.580 52.933 0.647 1
1 215 . 41 1 1 A 22 22 ASN CB C 82 39.580 39.443 0.137 1
1 216 . 41 1 1 A 22 22 ASN N N 82 118.160 119.914 -1.754 1
1 218 . 41 1 1 A 23 23 ALA H H 83 8.720 7.416 1.304 1
1 219 . 41 1 1 A 23 23 ALA HA H 83 4.570 4.673 -0.103 1
1 223 . 41 1 1 A 23 23 ALA C C 83 175.910 176.926 -1.016 1
1 224 . 41 1 1 A 23 23 ALA CA C 83 52.340 51.206 1.134 1
1 225 . 41 1 1 A 23 23 ALA CB C 83 19.370 22.396 -3.026 1
1 226 . 41 1 1 A 23 23 ALA N N 83 125.180 123.606 1.574 1
1 227 . 41 1 1 A 24 24 SER H H 84 7.970 8.921 -0.951 1
1 228 . 41 1 1 A 24 24 SER HA H 84 5.310 5.117 0.193 1
1 230 . 41 1 1 A 24 24 SER C C 84 174.620 172.750 1.870 1
1 231 . 41 1 1 A 24 24 SER CA C 84 56.550 56.850 -0.300 1
1 232 . 41 1 1 A 24 24 SER CB C 84 66.420 66.108 0.312 1
1 233 . 41 1 1 A 24 24 SER N N 84 112.840 111.854 0.986 1
1 234 . 41 1 1 A 25 25 PHE H H 85 9.580 8.785 0.795 1
1 235 . 41 1 1 A 25 25 PHE HA H 85 4.320 5.302 -0.982 1
1 241 . 41 1 1 A 25 25 PHE C C 85 173.430 173.953 -0.523 1
1 242 . 41 1 1 A 25 25 PHE CA C 85 57.780 56.393 1.387 1
1 243 . 41 1 1 A 25 25 PHE CB C 85 38.780 42.577 -3.797 1
1 247 . 41 1 1 A 25 25 PHE N N 85 125.520 122.325 3.195 1
1 248 . 41 1 1 A 26 26 SER H H 86 6.780 7.947 -1.167 1
1 249 . 41 1 1 A 26 26 SER HA H 86 4.430 4.697 -0.267 1
1 252 . 41 1 1 A 26 26 SER C C 86 174.200 174.285 -0.085 1
1 253 . 41 1 1 A 26 26 SER CA C 86 56.610 56.363 0.247 1
1 254 . 41 1 1 A 26 26 SER CB C 86 66.010 65.669 0.341 1
1 255 . 41 1 1 A 26 26 SER N N 86 118.860 119.245 -0.385 1
1 256 . 41 1 1 A 27 27 LYS H H 87 8.710 8.894 -0.184 1
1 257 . 41 1 1 A 27 27 LYS HA H 87 3.850 3.809 0.041 1
1 263 . 41 1 1 A 27 27 LYS C C 87 178.490 178.724 -0.234 1
1 264 . 41 1 1 A 27 27 LYS CA C 87 59.390 59.286 0.104 1
1 265 . 41 1 1 A 27 27 LYS CB C 87 31.970 32.826 -0.856 1
1 269 . 41 1 1 A 27 27 LYS N N 87 121.790 119.185 2.605 1
1 270 . 41 1 1 A 28 28 ARG H H 88 8.010 7.737 0.273 1
1 271 . 41 1 1 A 28 28 ARG HA H 88 3.990 4.004 -0.014 1
1 277 . 41 1 1 A 28 28 ARG C C 88 178.890 178.591 0.299 1
1 278 . 41 1 1 A 28 28 ARG CA C 88 59.010 58.701 0.309 1
1 279 . 41 1 1 A 28 28 ARG CB C 88 30.120 30.013 0.107 1
1 282 . 41 1 1 A 28 28 ARG N N 88 119.520 119.719 -0.199 1
1 283 . 41 1 1 A 29 29 ILE H H 89 7.350 7.391 -0.041 1
1 284 . 41 1 1 A 29 29 ILE HA H 89 3.680 3.667 0.013 1
1 294 . 41 1 1 A 29 29 ILE C C 89 177.620 177.985 -0.365 1
1 295 . 41 1 1 A 29 29 ILE CA C 89 63.170 65.109 -1.939 1
1 296 . 41 1 1 A 29 29 ILE CB C 89 36.900 36.178 0.722 1
1 300 . 41 1 1 A 29 29 ILE N N 89 121.980 120.153 1.827 1
1 301 . 41 1 1 A 30 30 GLN H H 90 7.990 8.003 -0.013 1
1 302 . 41 1 1 A 30 30 GLN HA H 90 3.630 3.913 -0.283 1
1 308 . 41 1 1 A 30 30 GLN C C 90 178.320 178.188 0.132 1
1 309 . 41 1 1 A 30 30 GLN CA C 90 59.200 59.021 0.179 1
1 310 . 41 1 1 A 30 30 GLN CB C 90 28.700 28.303 0.397 1
1 312 . 41 1 1 A 30 30 GLN N N 90 121.020 121.006 0.014 1
1 314 . 41 1 1 A 31 31 LYS H H 91 7.990 8.130 -0.140 1
1 315 . 41 1 1 A 31 31 LYS HA H 91 4.090 4.045 0.045 1
1 321 . 41 1 1 A 31 31 LYS C C 91 178.650 179.135 -0.485 1
1 322 . 41 1 1 A 31 31 LYS CA C 91 58.720 59.276 -0.556 1
1 323 . 41 1 1 A 31 31 LYS CB C 91 32.220 32.215 0.005 1
1 327 . 41 1 1 A 31 31 LYS N N 91 119.520 119.189 0.331 1
1 328 . 41 1 1 A 32 32 SER H H 92 7.770 7.781 -0.011 1
1 329 . 41 1 1 A 32 32 SER HA H 92 4.320 4.239 0.081 1
1 332 . 41 1 1 A 32 32 SER C C 92 176.110 177.619 -1.509 1
1 333 . 41 1 1 A 32 32 SER CA C 92 61.260 61.691 -0.431 1
1 334 . 41 1 1 A 32 32 SER CB C 92 63.610 62.650 0.960 1
1 335 . 41 1 1 A 32 32 SER N N 92 116.310 114.564 1.746 1
1 336 . 41 1 1 A 33 33 ILE H H 93 7.960 7.834 0.126 1
1 337 . 41 1 1 A 33 33 ILE HA H 93 3.920 3.669 0.251 1
1 347 . 41 1 1 A 33 33 ILE C C 93 177.480 177.738 -0.258 1
1 348 . 41 1 1 A 33 33 ILE CA C 93 63.610 65.226 -1.616 1
1 349 . 41 1 1 A 33 33 ILE CB C 93 38.330 37.669 0.661 1
1 353 . 41 1 1 A 33 33 ILE N N 93 119.950 122.322 -2.372 1
1 354 . 41 1 1 A 34 34 SER H H 94 7.970 7.858 0.112 1
1 355 . 41 1 1 A 34 34 SER HA H 94 4.390 4.028 0.362 1
1 357 . 41 1 1 A 34 34 SER C C 94 176.490 175.919 0.571 1
1 358 . 41 1 1 A 34 34 SER CA C 94 60.560 62.156 -1.596 1
1 359 . 41 1 1 A 34 34 SER CB C 94 63.130 62.809 0.321 1
1 360 . 41 1 1 A 34 34 SER N N 94 117.230 115.040 2.190 1
1 361 . 41 1 1 A 35 35 GLN H H 95 8.220 7.701 0.519 1
1 362 . 41 1 1 A 35 35 GLN HA H 95 4.260 4.025 0.235 1
1 369 . 41 1 1 A 35 35 GLN C C 95 177.050 178.530 -1.480 1
1 370 . 41 1 1 A 35 35 GLN CA C 95 57.360 58.938 -1.578 1
1 371 . 41 1 1 A 35 35 GLN CB C 95 28.900 28.248 0.652 1
1 373 . 41 1 1 A 35 35 GLN N N 95 121.530 121.197 0.333 1
1 375 . 41 1 1 A 36 36 LYS H H 96 7.870 7.407 0.463 1
1 376 . 41 1 1 A 36 36 LYS HA H 96 4.280 4.209 0.071 1
1 383 . 41 1 1 A 36 36 LYS C C 96 176.160 176.127 0.033 1
1 384 . 41 1 1 A 36 36 LYS CA C 96 56.570 57.806 -1.236 1
1 385 . 41 1 1 A 36 36 LYS CB C 96 33.600 32.794 0.806 1
1 389 . 41 1 1 A 36 36 LYS N N 96 118.550 116.272 2.278 1
1 390 . 41 1 1 A 37 37 LYS H H 97 8.110 8.027 0.083 1
1 391 . 41 1 1 A 37 37 LYS HA H 97 4.110 3.864 0.246 1
1 396 . 41 1 1 A 37 37 LYS C C 97 176.210 175.272 0.938 1
1 397 . 41 1 1 A 37 37 LYS CA C 97 57.230 57.183 0.047 1
1 398 . 41 1 1 A 37 37 LYS CB C 97 30.580 30.043 0.537 1
1 402 . 41 1 1 A 37 37 LYS N N 97 117.680 116.515 1.165 1
1 403 . 41 1 1 A 38 38 VAL H H 98 7.430 7.656 -0.226 1
1 404 . 41 1 1 A 38 38 VAL HA H 98 4.350 4.872 -0.522 1
1 412 . 41 1 1 A 38 38 VAL C C 98 175.830 174.585 1.245 1
1 413 . 41 1 1 A 38 38 VAL CA C 98 60.580 58.777 1.803 1
1 414 . 41 1 1 A 38 38 VAL CB C 98 33.410 35.885 -2.475 1
1 417 . 41 1 1 A 38 38 VAL N N 98 115.860 114.028 1.832 1
1 418 . 41 1 1 A 39 39 LYS H H 99 8.960 8.355 0.605 1
1 419 . 41 1 1 A 39 39 LYS HA H 99 4.430 4.485 -0.055 1
1 425 . 41 1 1 A 39 39 LYS C C 99 175.700 175.023 0.677 1
1 426 . 41 1 1 A 39 39 LYS CA C 99 55.420 55.552 -0.132 1
1 427 . 41 1 1 A 39 39 LYS CB C 99 30.580 31.067 -0.487 1
1 431 . 41 1 1 A 39 39 LYS N N 99 127.710 120.484 7.226 1
1 432 . 41 1 1 A 40 40 ILE H H 100 7.660 7.833 -0.173 1
1 433 . 41 1 1 A 40 40 ILE HA H 100 5.020 4.838 0.182 1
1 443 . 41 1 1 A 40 40 ILE C C 100 174.520 174.714 -0.194 1
1 444 . 41 1 1 A 40 40 ILE CA C 100 59.370 60.859 -1.489 1
1 445 . 41 1 1 A 40 40 ILE CB C 100 40.650 39.596 1.054 1
1 449 . 41 1 1 A 40 40 ILE N N 100 123.140 125.224 -2.084 1
1 450 . 41 1 1 A 41 41 GLU H H 101 8.490 8.995 -0.505 1
1 451 . 41 1 1 A 41 41 GLU HA H 101 4.620 5.006 -0.386 1
1 456 . 41 1 1 A 41 41 GLU C C 101 173.590 174.468 -0.878 1
1 457 . 41 1 1 A 41 41 GLU CA C 101 53.740 54.309 -0.569 1
1 458 . 41 1 1 A 41 41 GLU CB C 101 34.580 33.436 1.144 1
1 460 . 41 1 1 A 41 41 GLU N N 101 123.460 124.319 -0.859 1
1 461 . 41 1 1 A 42 42 LEU H H 102 8.490 8.200 0.290 1
1 462 . 41 1 1 A 42 42 LEU HA H 102 3.790 4.216 -0.426 1
1 472 . 41 1 1 A 42 42 LEU C C 102 176.440 175.830 0.610 1
1 473 . 41 1 1 A 42 42 LEU CA C 102 55.190 55.123 0.067 1
1 474 . 41 1 1 A 42 42 LEU CB C 102 43.100 42.573 0.527 1
1 478 . 41 1 1 A 42 42 LEU N N 102 123.470 123.429 0.041 1
1 479 . 41 1 1 A 43 43 ASP H H 103 8.770 7.970 0.800 1
1 480 . 41 1 1 A 43 43 ASP HA H 103 4.520 4.704 -0.184 1
1 483 . 41 1 1 A 43 43 ASP C C 103 177.600 177.233 0.367 1
1 484 . 41 1 1 A 43 43 ASP CA C 103 53.740 53.713 0.027 1
1 485 . 41 1 1 A 43 43 ASP CB C 103 41.880 41.291 0.589 1
1 486 . 41 1 1 A 43 43 ASP N N 103 127.210 125.937 1.273 1
1 487 . 41 1 1 A 44 44 LYS H H 104 8.910 9.058 -0.148 1
1 488 . 41 1 1 A 44 44 LYS HA H 104 3.920 4.161 -0.241 1
1 495 . 41 1 1 A 44 44 LYS C C 104 177.340 178.626 -1.286 1
1 496 . 41 1 1 A 44 44 LYS CA C 104 58.930 58.573 0.357 1
1 497 . 41 1 1 A 44 44 LYS CB C 104 32.000 32.155 -0.155 1
1 501 . 41 1 1 A 44 44 LYS N N 104 129.080 127.326 1.754 1
1 502 . 41 1 1 A 45 45 SER H H 105 8.740 7.610 1.130 1
1 503 . 41 1 1 A 45 45 SER HA H 105 4.370 4.245 0.125 1
1 506 . 41 1 1 A 45 45 SER C C 105 175.040 175.395 -0.355 1
1 507 . 41 1 1 A 45 45 SER CA C 105 59.150 60.737 -1.587 1
1 508 . 41 1 1 A 45 45 SER CB C 105 63.830 62.552 1.278 1
1 509 . 41 1 1 A 45 45 SER N N 105 115.270 112.455 2.815 1
1 510 . 41 1 1 A 46 46 ALA H H 106 7.430 7.219 0.211 1
1 511 . 41 1 1 A 46 46 ALA HA H 106 4.150 4.293 -0.143 1
1 515 . 41 1 1 A 46 46 ALA CA C 106 53.300 51.454 1.846 1
1 516 . 41 1 1 A 46 46 ALA CB C 106 19.190 20.125 -0.935 1
1 517 . 41 1 1 A 46 46 ALA N N 106 125.120 124.751 0.369 1
1 518 . 41 1 1 A 47 47 ARG HA H 107 4.280 4.522 -0.242 1
1 526 . 41 1 1 A 48 48 HIS HA H 108 4.650 4.563 0.087 1
1 531 . 41 1 1 A 48 48 HIS C C 108 173.160 174.696 -1.536 1
1 532 . 41 1 1 A 48 48 HIS CA C 108 54.990 56.025 -1.035 1
1 533 . 41 1 1 A 48 48 HIS CB C 108 33.400 31.191 2.209 1
1 538 . 41 1 1 A 49 49 LEU H H 109 8.030 8.703 -0.673 1
1 539 . 41 1 1 A 49 49 LEU HA H 109 5.040 4.776 0.264 1
1 549 . 41 1 1 A 49 49 LEU CA C 109 54.480 53.948 0.532 1
1 550 . 41 1 1 A 49 49 LEU CB C 109 43.010 42.832 0.178 1
1 554 . 41 1 1 A 49 49 LEU N N 109 120.130 120.482 -0.352 1
1 555 . 41 1 1 A 50 50 TYR HA H 110 5.020 5.398 -0.378 1
1 560 . 41 1 1 A 50 50 TYR C C 110 176.960 175.346 1.614 1
1 561 . 41 1 1 A 50 50 TYR CA C 110 60.340 56.886 3.454 1
1 562 . 41 1 1 A 50 50 TYR CB C 110 39.210 42.625 -3.415 1
1 565 . 41 1 1 A 51 51 ILE H H 111 8.510 9.084 -0.574 1
1 566 . 41 1 1 A 51 51 ILE HA H 111 5.960 5.059 0.901 1
1 576 . 41 1 1 A 51 51 ILE C C 111 177.900 175.338 2.562 1
1 577 . 41 1 1 A 51 51 ILE CA C 111 58.100 59.105 -1.005 1
1 578 . 41 1 1 A 51 51 ILE CB C 111 41.370 41.662 -0.292 1
1 582 . 41 1 1 A 51 51 ILE N N 111 115.050 117.656 -2.606 1
1 583 . 41 1 1 A 52 52 CYS H H 112 9.830 9.004 0.826 1
1 584 . 41 1 1 A 52 52 CYS HA H 112 5.000 4.865 0.135 1
1 587 . 41 1 1 A 52 52 CYS C C 112 175.420 175.549 -0.129 1
1 588 . 41 1 1 A 52 52 CYS CA C 112 57.770 57.646 0.124 1
1 589 . 41 1 1 A 52 52 CYS CB C 112 33.120 30.369 2.751 1
1 590 . 41 1 1 A 52 52 CYS N N 112 125.820 121.706 4.114 1
1 591 . 41 1 1 A 53 53 ASP H H 113 9.000 9.064 -0.064 1
1 592 . 41 1 1 A 53 53 ASP HA H 113 4.510 4.330 0.180 1
1 594 . 41 1 1 A 53 53 ASP C C 113 178.140 177.495 0.645 1
1 595 . 41 1 1 A 53 53 ASP CA C 113 57.330 57.592 -0.262 1
1 596 . 41 1 1 A 53 53 ASP CB C 113 39.730 40.583 -0.853 1
1 597 . 41 1 1 A 53 53 ASP N N 113 121.960 122.359 -0.399 1
1 598 . 41 1 1 A 54 54 TYR H H 114 8.220 8.247 -0.027 1
1 599 . 41 1 1 A 54 54 TYR HA H 114 4.100 4.113 -0.013 1
1 604 . 41 1 1 A 54 54 TYR C C 114 178.410 177.291 1.119 1
1 605 . 41 1 1 A 54 54 TYR CA C 114 61.970 61.489 0.481 1
1 606 . 41 1 1 A 54 54 TYR CB C 114 37.150 38.242 -1.092 1
1 609 . 41 1 1 A 54 54 TYR N N 114 123.510 120.760 2.750 1
1 610 . 41 1 1 A 55 55 HIS H H 115 10.090 8.289 1.801 1
1 611 . 41 1 1 A 55 55 HIS HA H 115 4.040 4.406 -0.366 1
1 616 . 41 1 1 A 55 55 HIS C C 115 177.240 177.639 -0.399 1
1 617 . 41 1 1 A 55 55 HIS CA C 115 63.870 59.431 4.439 1
1 618 . 41 1 1 A 55 55 HIS CB C 115 29.600 30.636 -1.036 1
1 621 . 41 1 1 A 55 55 HIS N N 115 124.830 117.334 7.496 1
1 624 . 41 1 1 A 56 56 LYS H H 116 8.830 8.420 0.410 1
1 625 . 41 1 1 A 56 56 LYS HA H 116 3.720 3.934 -0.214 1
1 633 . 41 1 1 A 56 56 LYS C C 116 178.140 178.543 -0.403 1
1 634 . 41 1 1 A 56 56 LYS CA C 116 60.590 60.085 0.505 1
1 635 . 41 1 1 A 56 56 LYS CB C 116 32.230 32.293 -0.063 1
1 639 . 41 1 1 A 56 56 LYS N N 116 123.340 120.708 2.632 1
1 640 . 41 1 1 A 57 57 ASN H H 117 8.140 8.197 -0.057 1
1 641 . 41 1 1 A 57 57 ASN HA H 117 4.340 4.526 -0.186 1
1 646 . 41 1 1 A 57 57 ASN C C 117 177.570 177.598 -0.028 1
1 647 . 41 1 1 A 57 57 ASN CA C 117 55.890 56.011 -0.121 1
1 648 . 41 1 1 A 57 57 ASN CB C 117 38.070 38.470 -0.400 1
1 649 . 41 1 1 A 57 57 ASN N N 117 116.920 117.917 -0.997 1
1 651 . 41 1 1 A 58 58 LEU H H 118 7.890 7.777 0.113 1
1 652 . 41 1 1 A 58 58 LEU HA H 118 3.930 3.999 -0.069 1
1 662 . 41 1 1 A 58 58 LEU C C 118 179.400 178.486 0.914 1
1 663 . 41 1 1 A 58 58 LEU CA C 118 58.420 57.666 0.754 1
1 664 . 41 1 1 A 58 58 LEU CB C 118 43.170 41.602 1.568 1
1 668 . 41 1 1 A 58 58 LEU N N 118 123.590 120.246 3.344 1
1 669 . 41 1 1 A 59 59 ILE H H 119 8.360 7.516 0.844 1
1 670 . 41 1 1 A 59 59 ILE HA H 119 3.470 3.959 -0.489 1
1 680 . 41 1 1 A 59 59 ILE C C 119 177.290 178.161 -0.871 1
1 681 . 41 1 1 A 59 59 ILE CA C 119 65.260 63.719 1.541 1
1 682 . 41 1 1 A 59 59 ILE CB C 119 38.330 38.043 0.287 1
1 686 . 41 1 1 A 59 59 ILE N N 119 118.630 118.876 -0.246 1
1 687 . 41 1 1 A 60 60 GLN H H 120 7.830 8.095 -0.265 1
1 688 . 41 1 1 A 60 60 GLN HA H 120 4.130 3.897 0.233 1
1 694 . 41 1 1 A 60 60 GLN C C 120 177.240 177.903 -0.663 1
1 695 . 41 1 1 A 60 60 GLN CA C 120 57.750 58.957 -1.207 1
1 696 . 41 1 1 A 60 60 GLN CB C 120 28.910 28.206 0.704 1
1 698 . 41 1 1 A 60 60 GLN N N 120 117.840 119.897 -2.057 1
1 700 . 41 1 1 A 61 61 SER H H 121 7.790 8.031 -0.241 1
1 701 . 41 1 1 A 61 61 SER HA H 121 4.300 4.716 -0.416 1
1 703 . 41 1 1 A 61 61 SER C C 121 175.650 173.985 1.665 1
1 704 . 41 1 1 A 61 61 SER CA C 121 60.090 59.518 0.572 1
1 705 . 41 1 1 A 61 61 SER CB C 121 63.570 62.198 1.372 1
1 706 . 41 1 1 A 61 61 SER N N 121 115.460 114.458 1.002 1
1 707 . 41 1 1 A 62 62 VAL H H 122 8.020 7.256 0.764 1
1 708 . 41 1 1 A 62 62 VAL HA H 122 4.020 4.023 -0.003 1
1 716 . 41 1 1 A 62 62 VAL C C 122 176.960 177.260 -0.300 1
1 717 . 41 1 1 A 62 62 VAL CA C 122 63.600 63.956 -0.356 1
1 718 . 41 1 1 A 62 62 VAL CB C 122 32.300 32.977 -0.677 1
1 721 . 41 1 1 A 62 62 VAL N N 122 121.600 119.802 1.798 1
1 722 . 41 1 1 A 63 63 ARG H H 123 8.130 7.493 0.637 1
1 723 . 41 1 1 A 63 63 ARG HA H 123 4.190 4.520 -0.330 1
1 729 . 41 1 1 A 63 63 ARG C C 123 176.490 175.070 1.420 1
1 730 . 41 1 1 A 63 63 ARG CA C 123 57.070 55.269 1.801 1
1 731 . 41 1 1 A 63 63 ARG CB C 123 30.780 31.354 -0.574 1
1 734 . 41 1 1 A 63 63 ARG N N 123 122.770 117.978 4.792 1
1 735 . 41 1 1 A 64 64 ASN H H 124 8.210 7.752 0.458 1
1 736 . 41 1 1 A 64 64 ASN HA H 124 4.650 4.972 -0.322 1
1 741 . 41 1 1 A 64 64 ASN C C 124 175.310 174.067 1.243 1
1 742 . 41 1 1 A 64 64 ASN CA C 124 53.500 52.978 0.522 1
1 743 . 41 1 1 A 64 64 ASN CB C 124 38.840 39.978 -1.138 1
1 744 . 41 1 1 A 64 64 ASN N N 124 119.350 118.446 0.904 1
1 746 . 41 1 1 A 65 65 ARG H H 125 8.100 8.718 -0.618 1
1 747 . 41 1 1 A 65 65 ARG HA H 125 4.270 4.507 -0.237 1
1 752 . 41 1 1 A 65 65 ARG C C 125 176.310 177.594 -1.284 1
1 753 . 41 1 1 A 65 65 ARG CA C 125 56.580 55.350 1.230 1
1 754 . 41 1 1 A 65 65 ARG CB C 125 30.810 31.451 -0.641 1
1 757 . 41 1 1 A 65 65 ARG N N 125 122.230 126.920 -4.690 1
1 758 . 41 1 1 A 66 66 ARG H H 126 8.260 8.865 -0.605 1
1 759 . 41 1 1 A 66 66 ARG HA H 126 4.270 4.300 -0.030 1
1 764 . 41 1 1 A 66 66 ARG C C 126 176.210 176.795 -0.585 1
1 765 . 41 1 1 A 66 66 ARG CA C 126 56.190 56.955 -0.765 1
1 766 . 41 1 1 A 66 66 ARG CB C 126 30.810 31.047 -0.237 1
1 769 . 41 1 1 A 66 66 ARG N N 126 122.760 121.612 1.148 1
1 770 . 41 1 1 A 67 67 LYS H H 127 8.270 7.914 0.356 1
1 771 . 41 1 1 A 67 67 LYS HA H 127 4.260 4.347 -0.087 1
1 776 . 41 1 1 A 67 67 LYS C C 127 176.450 175.721 0.729 1
1 777 . 41 1 1 A 67 67 LYS CA C 127 56.320 58.457 -2.137 1
1 778 . 41 1 1 A 67 67 LYS CB C 127 33.180 31.656 1.524 1
1 782 . 41 1 1 A 67 67 LYS N N 127 123.620 118.184 5.436 1
1 783 . 41 1 1 A 68 68 ARG H H 128 8.340 8.829 -0.489 1
1 784 . 41 1 1 A 68 68 ARG HA H 128 4.270 4.056 0.214 1
1 788 . 41 1 1 A 68 68 ARG C C 128 176.250 175.972 0.278 1
1 789 . 41 1 1 A 68 68 ARG CA C 128 56.130 58.387 -2.257 1
1 790 . 41 1 1 A 68 68 ARG CB C 128 31.060 29.143 1.917 1
1 793 . 41 1 1 A 68 68 ARG N N 128 123.750 119.566 4.184 1
1 794 . 41 1 1 A 69 69 LYS H H 129 8.450 8.850 -0.400 1
1 795 . 41 1 1 A 69 69 LYS HA H 129 4.250 4.531 -0.281 1
1 800 . 41 1 1 A 69 69 LYS C C 129 177.010 175.947 1.063 1
1 801 . 41 1 1 A 69 69 LYS CA C 129 57.000 57.252 -0.252 1
1 802 . 41 1 1 A 69 69 LYS CB C 129 32.940 35.574 -2.634 1
1 806 . 41 1 1 A 69 69 LYS N N 129 124.580 121.813 2.767 1
1 807 . 41 1 1 A 70 70 GLY H H 130 8.500 7.398 1.102 1
1 808 . 41 1 1 A 70 70 GLY HA2 H 130 3.910 4.061 -0.151 1
1 809 . 41 1 1 A 70 70 GLY HA3 H 130 4.010 4.061 -0.051 1
1 810 . 41 1 1 A 70 70 GLY C C 130 173.360 173.427 -0.067 1
1 811 . 41 1 1 A 70 70 GLY CA C 130 45.370 45.494 -0.124 1
1 812 . 41 1 1 A 70 70 GLY N N 130 112.470 107.328 5.142 1
1 6 . 42 1 1 A 2 2 ASN HA H 62 4.610 5.008 -0.398 1
1 10 . 42 1 1 A 2 2 ASN C C 62 174.760 174.030 0.730 1
1 11 . 42 1 1 A 2 2 ASN CA C 62 53.100 52.793 0.307 1
1 12 . 42 1 1 A 2 2 ASN CB C 62 38.790 38.961 -0.171 1
1 14 . 42 1 1 A 3 3 ALA H H 63 8.300 8.408 -0.108 1
1 15 . 42 1 1 A 3 3 ALA HA H 63 4.200 4.268 -0.068 1
1 19 . 42 1 1 A 3 3 ALA C C 63 178.180 178.474 -0.294 1
1 20 . 42 1 1 A 3 3 ALA CA C 63 53.070 52.979 0.091 1
1 21 . 42 1 1 A 3 3 ALA CB C 63 18.960 18.984 -0.024 1
1 22 . 42 1 1 A 3 3 ALA N N 63 125.390 126.960 -1.570 1
1 23 . 42 1 1 A 4 4 GLY H H 64 8.340 8.693 -0.353 1
1 24 . 42 1 1 A 4 4 GLY HA2 H 64 3.800 3.901 -0.101 1
1 25 . 42 1 1 A 4 4 GLY HA3 H 64 3.860 3.912 -0.052 1
1 26 . 42 1 1 A 4 4 GLY C C 64 174.010 174.715 -0.705 1
1 27 . 42 1 1 A 4 4 GLY CA C 64 45.350 46.663 -1.313 1
1 28 . 42 1 1 A 4 4 GLY N N 64 109.300 110.257 -0.957 1
1 29 . 42 1 1 A 5 5 GLN H H 65 7.950 7.842 0.108 1
1 30 . 42 1 1 A 5 5 GLN HA H 65 4.330 4.545 -0.215 1
1 35 . 42 1 1 A 5 5 GLN C C 65 175.560 174.935 0.625 1
1 36 . 42 1 1 A 5 5 GLN CA C 65 55.400 55.323 0.077 1
1 37 . 42 1 1 A 5 5 GLN CB C 65 29.860 30.693 -0.833 1
1 39 . 42 1 1 A 5 5 GLN N N 65 119.540 118.652 0.888 1
1 41 . 42 1 1 A 6 6 LEU H H 66 8.740 8.615 0.125 1
1 42 . 42 1 1 A 6 6 LEU HA H 66 4.610 5.068 -0.458 1
1 52 . 42 1 1 A 6 6 LEU C C 66 175.750 175.723 0.027 1
1 53 . 42 1 1 A 6 6 LEU CA C 66 54.010 53.314 0.696 1
1 54 . 42 1 1 A 6 6 LEU CB C 66 43.490 44.880 -1.390 1
1 58 . 42 1 1 A 6 6 LEU N N 66 126.120 120.656 5.464 1
1 59 . 42 1 1 A 7 7 CYS H H 67 8.470 8.612 -0.142 1
1 60 . 42 1 1 A 7 7 CYS HA H 67 4.140 4.669 -0.529 1
1 63 . 42 1 1 A 7 7 CYS C C 67 175.320 176.493 -1.173 1
1 64 . 42 1 1 A 7 7 CYS CA C 67 60.780 59.777 1.003 1
1 65 . 42 1 1 A 7 7 CYS CB C 67 32.850 28.154 4.696 1
1 66 . 42 1 1 A 7 7 CYS N N 67 123.170 120.640 2.530 1
1 67 . 42 1 1 A 8 8 CYS H H 68 8.170 8.692 -0.522 1
1 68 . 42 1 1 A 8 8 CYS HA H 68 4.280 4.560 -0.280 1
1 72 . 42 1 1 A 8 8 CYS C C 68 172.410 174.340 -1.930 1
1 73 . 42 1 1 A 8 8 CYS CA C 68 58.920 58.934 -0.014 1
1 74 . 42 1 1 A 8 8 CYS CB C 68 28.920 28.188 0.732 1
1 75 . 42 1 1 A 8 8 CYS N N 68 124.700 122.218 2.482 1
1 76 . 42 1 1 A 9 9 LEU H H 69 8.180 7.070 1.110 1
1 77 . 42 1 1 A 9 9 LEU HA H 69 4.580 4.303 0.277 1
1 87 . 42 1 1 A 9 9 LEU C C 69 176.770 175.871 0.899 1
1 88 . 42 1 1 A 9 9 LEU CA C 69 54.760 53.430 1.330 1
1 89 . 42 1 1 A 9 9 LEU CB C 69 43.150 43.605 -0.455 1
1 93 . 42 1 1 A 9 9 LEU N N 69 122.650 123.410 -0.760 1
1 94 . 42 1 1 A 10 10 ARG H H 70 8.880 8.624 0.256 1
1 95 . 42 1 1 A 10 10 ARG HA H 70 4.770 5.373 -0.603 1
1 102 . 42 1 1 A 10 10 ARG C C 70 174.900 174.157 0.743 1
1 103 . 42 1 1 A 10 10 ARG CA C 70 54.710 54.194 0.516 1
1 104 . 42 1 1 A 10 10 ARG CB C 70 33.390 32.342 1.048 1
1 107 . 42 1 1 A 10 10 ARG N N 70 117.650 121.022 -3.372 1
1 108 . 42 1 1 A 11 11 GLU H H 71 8.640 9.172 -0.532 1
1 109 . 42 1 1 A 11 11 GLU HA H 71 5.090 4.661 0.429 1
1 113 . 42 1 1 A 11 11 GLU C C 71 176.070 175.415 0.655 1
1 114 . 42 1 1 A 11 11 GLU CA C 71 54.270 55.312 -1.042 1
1 115 . 42 1 1 A 11 11 GLU CB C 71 32.460 31.028 1.432 1
1 117 . 42 1 1 A 11 11 GLU N N 71 123.910 125.352 -1.442 1
1 118 . 42 1 1 A 12 12 ASP H H 72 9.510 9.028 0.482 1
1 119 . 42 1 1 A 12 12 ASP HA H 72 4.270 4.441 -0.171 1
1 122 . 42 1 1 A 12 12 ASP C C 72 175.890 176.345 -0.455 1
1 123 . 42 1 1 A 12 12 ASP CA C 72 55.880 55.373 0.507 1
1 124 . 42 1 1 A 12 12 ASP CB C 72 39.910 39.791 0.119 1
1 125 . 42 1 1 A 12 12 ASP N N 72 129.440 128.045 1.395 1
1 126 . 42 1 1 A 13 13 GLY H H 73 8.970 8.443 0.527 1
1 127 . 42 1 1 A 13 13 GLY HA2 H 73 3.520 3.847 -0.327 1
1 128 . 42 1 1 A 13 13 GLY HA3 H 73 4.200 3.851 0.349 1
1 129 . 42 1 1 A 13 13 GLY C C 73 173.960 173.991 -0.031 1
1 130 . 42 1 1 A 13 13 GLY CA C 73 45.350 45.203 0.147 1
1 131 . 42 1 1 A 13 13 GLY N N 73 103.500 103.485 0.015 1
1 132 . 42 1 1 A 14 14 GLU H H 74 7.660 7.740 -0.080 1
1 133 . 42 1 1 A 14 14 GLU HA H 74 4.640 4.406 0.234 1
1 138 . 42 1 1 A 14 14 GLU C C 74 176.170 176.297 -0.127 1
1 139 . 42 1 1 A 14 14 GLU CA C 74 54.460 55.971 -1.511 1
1 140 . 42 1 1 A 14 14 GLU CB C 74 32.050 30.096 1.954 1
1 142 . 42 1 1 A 14 14 GLU N N 74 121.330 120.773 0.557 1
1 143 . 42 1 1 A 15 15 ARG H H 75 9.000 8.821 0.179 1
1 144 . 42 1 1 A 15 15 ARG HA H 75 4.120 4.514 -0.394 1
1 150 . 42 1 1 A 15 15 ARG C C 75 175.230 175.812 -0.582 1
1 151 . 42 1 1 A 15 15 ARG CA C 75 56.640 55.122 1.518 1
1 152 . 42 1 1 A 15 15 ARG CB C 75 29.720 28.279 1.441 1
1 155 . 42 1 1 A 15 15 ARG N N 75 127.990 125.070 2.920 1
1 156 . 42 1 1 A 16 16 CYS H H 76 8.870 9.050 -0.180 1
1 157 . 42 1 1 A 16 16 CYS HA H 76 4.170 4.311 -0.141 1
1 160 . 42 1 1 A 16 16 CYS CA C 76 61.840 61.374 0.466 1
1 161 . 42 1 1 A 16 16 CYS CB C 76 31.150 28.179 2.971 1
1 162 . 42 1 1 A 16 16 CYS N N 76 131.840 117.896 13.944 1
1 163 . 42 1 1 A 17 17 GLY H H 77 8.530 8.156 0.374 1
1 164 . 42 1 1 A 17 17 GLY HA2 H 77 3.680 3.958 -0.278 1
1 165 . 42 1 1 A 17 17 GLY HA3 H 77 4.340 3.976 0.364 1
1 166 . 42 1 1 A 17 17 GLY C C 77 174.620 174.132 0.488 1
1 167 . 42 1 1 A 17 17 GLY CA C 77 45.110 45.110 0.000 1
1 168 . 42 1 1 A 17 17 GLY N N 77 111.930 108.581 3.349 1
1 169 . 42 1 1 A 18 18 ARG H H 78 8.960 7.871 1.089 1
1 170 . 42 1 1 A 18 18 ARG HA H 78 4.290 4.306 -0.016 1
1 177 . 42 1 1 A 18 18 ARG C C 78 175.270 175.871 -0.601 1
1 178 . 42 1 1 A 18 18 ARG CA C 78 56.350 55.828 0.522 1
1 179 . 42 1 1 A 18 18 ARG CB C 78 31.310 31.367 -0.057 1
1 182 . 42 1 1 A 18 18 ARG N N 78 124.390 122.295 2.095 1
1 183 . 42 1 1 A 19 19 ALA H H 79 8.340 8.359 -0.019 1
1 184 . 42 1 1 A 19 19 ALA HA H 79 4.170 4.359 -0.189 1
1 188 . 42 1 1 A 19 19 ALA C C 79 177.620 177.523 0.097 1
1 189 . 42 1 1 A 19 19 ALA CA C 79 52.710 52.563 0.147 1
1 190 . 42 1 1 A 19 19 ALA CB C 79 18.710 19.080 -0.370 1
1 191 . 42 1 1 A 19 19 ALA N N 79 123.880 126.802 -2.922 1
1 192 . 42 1 1 A 20 20 ALA H H 80 8.470 8.432 0.038 1
1 193 . 42 1 1 A 20 20 ALA HA H 80 3.540 4.426 -0.886 1
1 197 . 42 1 1 A 20 20 ALA C C 80 177.560 178.194 -0.634 1
1 198 . 42 1 1 A 20 20 ALA CA C 80 52.840 52.212 0.628 1
1 199 . 42 1 1 A 20 20 ALA CB C 80 19.050 19.419 -0.369 1
1 200 . 42 1 1 A 20 20 ALA N N 80 124.580 123.841 0.739 1
1 201 . 42 1 1 A 21 21 GLY H H 81 8.090 8.889 -0.799 1
1 202 . 42 1 1 A 21 21 GLY HA2 H 81 3.800 4.222 -0.422 1
1 203 . 42 1 1 A 21 21 GLY HA3 H 81 4.430 4.252 0.178 1
1 204 . 42 1 1 A 21 21 GLY C C 81 173.170 174.956 -1.786 1
1 205 . 42 1 1 A 21 21 GLY CA C 81 44.390 44.219 0.171 1
1 206 . 42 1 1 A 21 21 GLY N N 81 114.000 107.177 6.823 1
1 207 . 42 1 1 A 22 22 ASN H H 82 8.690 8.825 -0.135 1
1 208 . 42 1 1 A 22 22 ASN HA H 82 4.650 4.884 -0.234 1
1 213 . 42 1 1 A 22 22 ASN C C 82 176.260 175.056 1.204 1
1 214 . 42 1 1 A 22 22 ASN CA C 82 53.580 53.046 0.534 1
1 215 . 42 1 1 A 22 22 ASN CB C 82 39.580 38.616 0.964 1
1 216 . 42 1 1 A 22 22 ASN N N 82 118.160 118.361 -0.201 1
1 218 . 42 1 1 A 23 23 ALA H H 83 8.720 7.675 1.045 1
1 219 . 42 1 1 A 23 23 ALA HA H 83 4.570 4.868 -0.298 1
1 223 . 42 1 1 A 23 23 ALA C C 83 175.910 176.164 -0.254 1
1 224 . 42 1 1 A 23 23 ALA CA C 83 52.340 50.589 1.751 1
1 225 . 42 1 1 A 23 23 ALA CB C 83 19.370 22.982 -3.612 1
1 226 . 42 1 1 A 23 23 ALA N N 83 125.180 121.985 3.195 1
1 227 . 42 1 1 A 24 24 SER H H 84 7.970 8.942 -0.972 1
1 228 . 42 1 1 A 24 24 SER HA H 84 5.310 5.117 0.193 1
1 230 . 42 1 1 A 24 24 SER C C 84 174.620 173.233 1.387 1
1 231 . 42 1 1 A 24 24 SER CA C 84 56.550 57.236 -0.686 1
1 232 . 42 1 1 A 24 24 SER CB C 84 66.420 65.514 0.906 1
1 233 . 42 1 1 A 24 24 SER N N 84 112.840 115.363 -2.523 1
1 234 . 42 1 1 A 25 25 PHE H H 85 9.580 8.847 0.733 1
1 235 . 42 1 1 A 25 25 PHE HA H 85 4.320 4.477 -0.157 1
1 241 . 42 1 1 A 25 25 PHE C C 85 173.430 175.049 -1.619 1
1 242 . 42 1 1 A 25 25 PHE CA C 85 57.780 59.615 -1.835 1
1 243 . 42 1 1 A 25 25 PHE CB C 85 38.780 39.542 -0.762 1
1 247 . 42 1 1 A 25 25 PHE N N 85 125.520 126.564 -1.044 1
1 248 . 42 1 1 A 26 26 SER H H 86 6.780 8.030 -1.250 1
1 249 . 42 1 1 A 26 26 SER HA H 86 4.430 4.791 -0.361 1
1 252 . 42 1 1 A 26 26 SER C C 86 174.200 175.279 -1.079 1
1 253 . 42 1 1 A 26 26 SER CA C 86 56.610 55.925 0.685 1
1 254 . 42 1 1 A 26 26 SER CB C 86 66.010 65.155 0.855 1
1 255 . 42 1 1 A 26 26 SER N N 86 118.860 118.847 0.013 1
1 256 . 42 1 1 A 27 27 LYS H H 87 8.710 8.693 0.017 1
1 257 . 42 1 1 A 27 27 LYS HA H 87 3.850 3.643 0.207 1
1 263 . 42 1 1 A 27 27 LYS C C 87 178.490 178.760 -0.270 1
1 264 . 42 1 1 A 27 27 LYS CA C 87 59.390 59.100 0.290 1
1 265 . 42 1 1 A 27 27 LYS CB C 87 31.970 32.639 -0.669 1
1 269 . 42 1 1 A 27 27 LYS N N 87 121.790 119.375 2.415 1
1 270 . 42 1 1 A 28 28 ARG H H 88 8.010 7.729 0.281 1
1 271 . 42 1 1 A 28 28 ARG HA H 88 3.990 4.010 -0.020 1
1 277 . 42 1 1 A 28 28 ARG C C 88 178.890 178.617 0.273 1
1 278 . 42 1 1 A 28 28 ARG CA C 88 59.010 58.675 0.335 1
1 279 . 42 1 1 A 28 28 ARG CB C 88 30.120 29.933 0.187 1
1 282 . 42 1 1 A 28 28 ARG N N 88 119.520 119.822 -0.302 1
1 283 . 42 1 1 A 29 29 ILE H H 89 7.350 7.943 -0.593 1
1 284 . 42 1 1 A 29 29 ILE HA H 89 3.680 3.687 -0.007 1
1 294 . 42 1 1 A 29 29 ILE C C 89 177.620 177.626 -0.006 1
1 295 . 42 1 1 A 29 29 ILE CA C 89 63.170 65.242 -2.072 1
1 296 . 42 1 1 A 29 29 ILE CB C 89 36.900 37.065 -0.165 1
1 300 . 42 1 1 A 29 29 ILE N N 89 121.980 120.011 1.969 1
1 301 . 42 1 1 A 30 30 GLN H H 90 7.990 7.514 0.476 1
1 302 . 42 1 1 A 30 30 GLN HA H 90 3.630 3.989 -0.359 1
1 308 . 42 1 1 A 30 30 GLN C C 90 178.320 178.845 -0.525 1
1 309 . 42 1 1 A 30 30 GLN CA C 90 59.200 58.773 0.427 1
1 310 . 42 1 1 A 30 30 GLN CB C 90 28.700 27.957 0.743 1
1 312 . 42 1 1 A 30 30 GLN N N 90 121.020 120.422 0.598 1
1 314 . 42 1 1 A 31 31 LYS H H 91 7.990 8.038 -0.048 1
1 315 . 42 1 1 A 31 31 LYS HA H 91 4.090 4.072 0.018 1
1 321 . 42 1 1 A 31 31 LYS C C 91 178.650 178.460 0.190 1
1 322 . 42 1 1 A 31 31 LYS CA C 91 58.720 59.111 -0.391 1
1 323 . 42 1 1 A 31 31 LYS CB C 91 32.220 32.150 0.070 1
1 327 . 42 1 1 A 31 31 LYS N N 91 119.520 119.576 -0.056 1
1 328 . 42 1 1 A 32 32 SER H H 92 7.770 7.761 0.009 1
1 329 . 42 1 1 A 32 32 SER HA H 92 4.320 4.171 0.149 1
1 332 . 42 1 1 A 32 32 SER C C 92 176.110 177.484 -1.374 1
1 333 . 42 1 1 A 32 32 SER CA C 92 61.260 61.800 -0.540 1
1 334 . 42 1 1 A 32 32 SER CB C 92 63.610 63.630 -0.020 1
1 335 . 42 1 1 A 32 32 SER N N 92 116.310 114.764 1.546 1
1 336 . 42 1 1 A 33 33 ILE H H 93 7.960 7.901 0.059 1
1 337 . 42 1 1 A 33 33 ILE HA H 93 3.920 3.672 0.248 1
1 347 . 42 1 1 A 33 33 ILE C C 93 177.480 177.950 -0.470 1
1 348 . 42 1 1 A 33 33 ILE CA C 93 63.610 65.302 -1.692 1
1 349 . 42 1 1 A 33 33 ILE CB C 93 38.330 37.711 0.619 1
1 353 . 42 1 1 A 33 33 ILE N N 93 119.950 121.717 -1.767 1
1 354 . 42 1 1 A 34 34 SER H H 94 7.970 8.007 -0.037 1
1 355 . 42 1 1 A 34 34 SER HA H 94 4.390 4.084 0.306 1
1 357 . 42 1 1 A 34 34 SER C C 94 176.490 176.243 0.247 1
1 358 . 42 1 1 A 34 34 SER CA C 94 60.560 61.970 -1.410 1
1 359 . 42 1 1 A 34 34 SER CB C 94 63.130 62.954 0.176 1
1 360 . 42 1 1 A 34 34 SER N N 94 117.230 115.623 1.607 1
1 361 . 42 1 1 A 35 35 GLN H H 95 8.220 7.492 0.728 1
1 362 . 42 1 1 A 35 35 GLN HA H 95 4.260 4.202 0.058 1
1 369 . 42 1 1 A 35 35 GLN C C 95 177.050 178.829 -1.779 1
1 370 . 42 1 1 A 35 35 GLN CA C 95 57.360 58.580 -1.220 1
1 371 . 42 1 1 A 35 35 GLN CB C 95 28.900 28.271 0.629 1
1 373 . 42 1 1 A 35 35 GLN N N 95 121.530 121.346 0.184 1
1 375 . 42 1 1 A 36 36 LYS H H 96 7.870 8.351 -0.481 1
1 376 . 42 1 1 A 36 36 LYS HA H 96 4.280 4.135 0.145 1
1 383 . 42 1 1 A 36 36 LYS C C 96 176.160 176.326 -0.166 1
1 384 . 42 1 1 A 36 36 LYS CA C 96 56.570 59.041 -2.471 1
1 385 . 42 1 1 A 36 36 LYS CB C 96 33.600 32.730 0.870 1
1 389 . 42 1 1 A 36 36 LYS N N 96 118.550 117.526 1.024 1
1 390 . 42 1 1 A 37 37 LYS H H 97 8.110 8.337 -0.227 1
1 391 . 42 1 1 A 37 37 LYS HA H 97 4.110 3.922 0.188 1
1 396 . 42 1 1 A 37 37 LYS C C 97 176.210 175.400 0.810 1
1 397 . 42 1 1 A 37 37 LYS CA C 97 57.230 56.963 0.267 1
1 398 . 42 1 1 A 37 37 LYS CB C 97 30.580 30.447 0.133 1
1 402 . 42 1 1 A 37 37 LYS N N 97 117.680 116.581 1.099 1
1 403 . 42 1 1 A 38 38 VAL H H 98 7.430 7.791 -0.361 1
1 404 . 42 1 1 A 38 38 VAL HA H 98 4.350 4.904 -0.554 1
1 412 . 42 1 1 A 38 38 VAL C C 98 175.830 174.564 1.266 1
1 413 . 42 1 1 A 38 38 VAL CA C 98 60.580 58.689 1.891 1
1 414 . 42 1 1 A 38 38 VAL CB C 98 33.410 35.806 -2.396 1
1 417 . 42 1 1 A 38 38 VAL N N 98 115.860 115.253 0.607 1
1 418 . 42 1 1 A 39 39 LYS H H 99 8.960 8.331 0.629 1
1 419 . 42 1 1 A 39 39 LYS HA H 99 4.430 4.415 0.015 1
1 425 . 42 1 1 A 39 39 LYS C C 99 175.700 174.670 1.030 1
1 426 . 42 1 1 A 39 39 LYS CA C 99 55.420 56.077 -0.657 1
1 427 . 42 1 1 A 39 39 LYS CB C 99 30.580 30.903 -0.323 1
1 431 . 42 1 1 A 39 39 LYS N N 99 127.710 120.166 7.544 1
1 432 . 42 1 1 A 40 40 ILE H H 100 7.660 7.812 -0.152 1
1 433 . 42 1 1 A 40 40 ILE HA H 100 5.020 4.838 0.182 1
1 443 . 42 1 1 A 40 40 ILE C C 100 174.520 175.166 -0.646 1
1 444 . 42 1 1 A 40 40 ILE CA C 100 59.370 60.605 -1.235 1
1 445 . 42 1 1 A 40 40 ILE CB C 100 40.650 40.672 -0.022 1
1 449 . 42 1 1 A 40 40 ILE N N 100 123.140 124.933 -1.793 1
1 450 . 42 1 1 A 41 41 GLU H H 101 8.490 9.039 -0.549 1
1 451 . 42 1 1 A 41 41 GLU HA H 101 4.620 4.974 -0.354 1
1 456 . 42 1 1 A 41 41 GLU C C 101 173.590 174.388 -0.798 1
1 457 . 42 1 1 A 41 41 GLU CA C 101 53.740 54.229 -0.489 1
1 458 . 42 1 1 A 41 41 GLU CB C 101 34.580 33.488 1.092 1
1 460 . 42 1 1 A 41 41 GLU N N 101 123.460 124.877 -1.417 1
1 461 . 42 1 1 A 42 42 LEU H H 102 8.490 8.341 0.149 1
1 462 . 42 1 1 A 42 42 LEU HA H 102 3.790 4.592 -0.802 1
1 472 . 42 1 1 A 42 42 LEU C C 102 176.440 175.707 0.733 1
1 473 . 42 1 1 A 42 42 LEU CA C 102 55.190 53.795 1.395 1
1 474 . 42 1 1 A 42 42 LEU CB C 102 43.100 43.438 -0.338 1
1 478 . 42 1 1 A 42 42 LEU N N 102 123.470 123.002 0.468 1
1 479 . 42 1 1 A 43 43 ASP H H 103 8.770 8.087 0.683 1
1 480 . 42 1 1 A 43 43 ASP HA H 103 4.520 4.608 -0.088 1
1 483 . 42 1 1 A 43 43 ASP C C 103 177.600 176.830 0.770 1
1 484 . 42 1 1 A 43 43 ASP CA C 103 53.740 54.431 -0.691 1
1 485 . 42 1 1 A 43 43 ASP CB C 103 41.880 41.820 0.060 1
1 486 . 42 1 1 A 43 43 ASP N N 103 127.210 126.591 0.619 1
1 487 . 42 1 1 A 44 44 LYS H H 104 8.910 9.043 -0.133 1
1 488 . 42 1 1 A 44 44 LYS HA H 104 3.920 4.171 -0.251 1
1 495 . 42 1 1 A 44 44 LYS C C 104 177.340 178.416 -1.076 1
1 496 . 42 1 1 A 44 44 LYS CA C 104 58.930 57.537 1.393 1
1 497 . 42 1 1 A 44 44 LYS CB C 104 32.000 32.118 -0.118 1
1 501 . 42 1 1 A 44 44 LYS N N 104 129.080 127.325 1.755 1
1 502 . 42 1 1 A 45 45 SER H H 105 8.740 7.764 0.976 1
1 503 . 42 1 1 A 45 45 SER HA H 105 4.370 4.194 0.176 1
1 506 . 42 1 1 A 45 45 SER C C 105 175.040 175.642 -0.602 1
1 507 . 42 1 1 A 45 45 SER CA C 105 59.150 61.667 -2.517 1
1 508 . 42 1 1 A 45 45 SER CB C 105 63.830 62.960 0.870 1
1 509 . 42 1 1 A 45 45 SER N N 105 115.270 113.472 1.798 1
1 510 . 42 1 1 A 46 46 ALA H H 106 7.430 7.331 0.099 1
1 511 . 42 1 1 A 46 46 ALA HA H 106 4.150 4.177 -0.027 1
1 515 . 42 1 1 A 46 46 ALA CA C 106 53.300 52.607 0.693 1
1 516 . 42 1 1 A 46 46 ALA CB C 106 19.190 19.688 -0.498 1
1 517 . 42 1 1 A 46 46 ALA N N 106 125.120 122.871 2.249 1
1 518 . 42 1 1 A 47 47 ARG HA H 107 4.280 4.493 -0.213 1
1 526 . 42 1 1 A 48 48 HIS HA H 108 4.650 5.160 -0.510 1
1 531 . 42 1 1 A 48 48 HIS C C 108 173.160 174.199 -1.039 1
1 532 . 42 1 1 A 48 48 HIS CA C 108 54.990 53.571 1.419 1
1 533 . 42 1 1 A 48 48 HIS CB C 108 33.400 33.093 0.307 1
1 538 . 42 1 1 A 49 49 LEU H H 109 8.030 8.873 -0.843 1
1 539 . 42 1 1 A 49 49 LEU HA H 109 5.040 4.592 0.448 1
1 549 . 42 1 1 A 49 49 LEU CA C 109 54.480 53.829 0.651 1
1 550 . 42 1 1 A 49 49 LEU CB C 109 43.010 42.200 0.810 1
1 554 . 42 1 1 A 49 49 LEU N N 109 120.130 122.112 -1.982 1
1 555 . 42 1 1 A 50 50 TYR HA H 110 5.020 5.399 -0.379 1
1 560 . 42 1 1 A 50 50 TYR C C 110 176.960 175.862 1.098 1
1 561 . 42 1 1 A 50 50 TYR CA C 110 60.340 56.579 3.761 1
1 562 . 42 1 1 A 50 50 TYR CB C 110 39.210 40.161 -0.951 1
1 565 . 42 1 1 A 51 51 ILE H H 111 8.510 8.389 0.121 1
1 566 . 42 1 1 A 51 51 ILE HA H 111 5.960 4.591 1.369 1
1 576 . 42 1 1 A 51 51 ILE C C 111 177.900 176.130 1.770 1
1 577 . 42 1 1 A 51 51 ILE CA C 111 58.100 60.186 -2.086 1
1 578 . 42 1 1 A 51 51 ILE CB C 111 41.370 39.571 1.799 1
1 582 . 42 1 1 A 51 51 ILE N N 111 115.050 121.879 -6.829 1
1 583 . 42 1 1 A 52 52 CYS H H 112 9.830 8.862 0.968 1
1 584 . 42 1 1 A 52 52 CYS HA H 112 5.000 4.843 0.157 1
1 587 . 42 1 1 A 52 52 CYS C C 112 175.420 175.776 -0.356 1
1 588 . 42 1 1 A 52 52 CYS CA C 112 57.770 57.613 0.157 1
1 589 . 42 1 1 A 52 52 CYS CB C 112 33.120 29.883 3.237 1
1 590 . 42 1 1 A 52 52 CYS N N 112 125.820 122.250 3.570 1
1 591 . 42 1 1 A 53 53 ASP H H 113 9.000 8.864 0.136 1
1 592 . 42 1 1 A 53 53 ASP HA H 113 4.510 4.341 0.169 1
1 594 . 42 1 1 A 53 53 ASP C C 113 178.140 177.966 0.174 1
1 595 . 42 1 1 A 53 53 ASP CA C 113 57.330 57.317 0.013 1
1 596 . 42 1 1 A 53 53 ASP CB C 113 39.730 40.535 -0.805 1
1 597 . 42 1 1 A 53 53 ASP N N 113 121.960 120.380 1.580 1
1 598 . 42 1 1 A 54 54 TYR H H 114 8.220 8.120 0.100 1
1 599 . 42 1 1 A 54 54 TYR HA H 114 4.100 4.129 -0.029 1
1 604 . 42 1 1 A 54 54 TYR C C 114 178.410 177.196 1.214 1
1 605 . 42 1 1 A 54 54 TYR CA C 114 61.970 61.751 0.219 1
1 606 . 42 1 1 A 54 54 TYR CB C 114 37.150 38.897 -1.747 1
1 609 . 42 1 1 A 54 54 TYR N N 114 123.510 122.450 1.060 1
1 610 . 42 1 1 A 55 55 HIS H H 115 10.090 7.775 2.315 1
1 611 . 42 1 1 A 55 55 HIS HA H 115 4.040 4.078 -0.038 1
1 616 . 42 1 1 A 55 55 HIS C C 115 177.240 177.465 -0.225 1
1 617 . 42 1 1 A 55 55 HIS CA C 115 63.870 59.660 4.210 1
1 618 . 42 1 1 A 55 55 HIS CB C 115 29.600 29.623 -0.023 1
1 621 . 42 1 1 A 55 55 HIS N N 115 124.830 116.933 7.897 1
1 624 . 42 1 1 A 56 56 LYS H H 116 8.830 8.105 0.725 1
1 625 . 42 1 1 A 56 56 LYS HA H 116 3.720 3.869 -0.149 1
1 633 . 42 1 1 A 56 56 LYS C C 116 178.140 178.867 -0.727 1
1 634 . 42 1 1 A 56 56 LYS CA C 116 60.590 59.968 0.622 1
1 635 . 42 1 1 A 56 56 LYS CB C 116 32.230 32.470 -0.240 1
1 639 . 42 1 1 A 56 56 LYS N N 116 123.340 120.530 2.810 1
1 640 . 42 1 1 A 57 57 ASN H H 117 8.140 8.236 -0.096 1
1 641 . 42 1 1 A 57 57 ASN HA H 117 4.340 4.505 -0.165 1
1 646 . 42 1 1 A 57 57 ASN C C 117 177.570 177.478 0.092 1
1 647 . 42 1 1 A 57 57 ASN CA C 117 55.890 56.271 -0.381 1
1 648 . 42 1 1 A 57 57 ASN CB C 117 38.070 38.636 -0.566 1
1 649 . 42 1 1 A 57 57 ASN N N 117 116.920 118.337 -1.417 1
1 651 . 42 1 1 A 58 58 LEU H H 118 7.890 7.693 0.197 1
1 652 . 42 1 1 A 58 58 LEU HA H 118 3.930 3.947 -0.017 1
1 662 . 42 1 1 A 58 58 LEU C C 118 179.400 178.918 0.482 1
1 663 . 42 1 1 A 58 58 LEU CA C 118 58.420 58.040 0.380 1
1 664 . 42 1 1 A 58 58 LEU CB C 118 43.170 41.602 1.568 1
1 668 . 42 1 1 A 58 58 LEU N N 118 123.590 120.282 3.308 1
1 669 . 42 1 1 A 59 59 ILE H H 119 8.360 7.713 0.647 1
1 670 . 42 1 1 A 59 59 ILE HA H 119 3.470 3.923 -0.453 1
1 680 . 42 1 1 A 59 59 ILE C C 119 177.290 178.190 -0.900 1
1 681 . 42 1 1 A 59 59 ILE CA C 119 65.260 63.842 1.418 1
1 682 . 42 1 1 A 59 59 ILE CB C 119 38.330 37.815 0.515 1
1 686 . 42 1 1 A 59 59 ILE N N 119 118.630 119.206 -0.576 1
1 687 . 42 1 1 A 60 60 GLN H H 120 7.830 8.570 -0.740 1
1 688 . 42 1 1 A 60 60 GLN HA H 120 4.130 4.026 0.104 1
1 694 . 42 1 1 A 60 60 GLN C C 120 177.240 177.684 -0.444 1
1 695 . 42 1 1 A 60 60 GLN CA C 120 57.750 59.184 -1.434 1
1 696 . 42 1 1 A 60 60 GLN CB C 120 28.910 28.612 0.298 1
1 698 . 42 1 1 A 60 60 GLN N N 120 117.840 119.946 -2.106 1
1 700 . 42 1 1 A 61 61 SER H H 121 7.790 7.812 -0.022 1
1 701 . 42 1 1 A 61 61 SER HA H 121 4.300 4.727 -0.427 1
1 703 . 42 1 1 A 61 61 SER C C 121 175.650 174.859 0.791 1
1 704 . 42 1 1 A 61 61 SER CA C 121 60.090 58.241 1.849 1
1 705 . 42 1 1 A 61 61 SER CB C 121 63.570 63.127 0.443 1
1 706 . 42 1 1 A 61 61 SER N N 121 115.460 113.631 1.829 1
1 707 . 42 1 1 A 62 62 VAL H H 122 8.020 7.709 0.311 1
1 708 . 42 1 1 A 62 62 VAL HA H 122 4.020 4.190 -0.170 1
1 716 . 42 1 1 A 62 62 VAL C C 122 176.960 176.947 0.013 1
1 717 . 42 1 1 A 62 62 VAL CA C 122 63.600 63.221 0.379 1
1 718 . 42 1 1 A 62 62 VAL CB C 122 32.300 32.511 -0.211 1
1 721 . 42 1 1 A 62 62 VAL N N 122 121.600 119.975 1.625 1
1 722 . 42 1 1 A 63 63 ARG H H 123 8.130 7.771 0.359 1
1 723 . 42 1 1 A 63 63 ARG HA H 123 4.190 4.491 -0.301 1
1 729 . 42 1 1 A 63 63 ARG C C 123 176.490 176.050 0.440 1
1 730 . 42 1 1 A 63 63 ARG CA C 123 57.070 55.612 1.458 1
1 731 . 42 1 1 A 63 63 ARG CB C 123 30.780 32.065 -1.285 1
1 734 . 42 1 1 A 63 63 ARG N N 123 122.770 118.005 4.765 1
1 735 . 42 1 1 A 64 64 ASN H H 124 8.210 7.877 0.333 1
1 736 . 42 1 1 A 64 64 ASN HA H 124 4.650 4.917 -0.267 1
1 741 . 42 1 1 A 64 64 ASN C C 124 175.310 175.258 0.052 1
1 742 . 42 1 1 A 64 64 ASN CA C 124 53.500 52.251 1.249 1
1 743 . 42 1 1 A 64 64 ASN CB C 124 38.840 38.576 0.264 1
1 744 . 42 1 1 A 64 64 ASN N N 124 119.350 118.976 0.374 1
1 746 . 42 1 1 A 65 65 ARG H H 125 8.100 8.135 -0.035 1
1 747 . 42 1 1 A 65 65 ARG HA H 125 4.270 4.241 0.029 1
1 752 . 42 1 1 A 65 65 ARG C C 125 176.310 178.173 -1.863 1
1 753 . 42 1 1 A 65 65 ARG CA C 125 56.580 58.274 -1.694 1
1 754 . 42 1 1 A 65 65 ARG CB C 125 30.810 30.894 -0.084 1
1 757 . 42 1 1 A 65 65 ARG N N 125 122.230 125.600 -3.370 1
1 758 . 42 1 1 A 66 66 ARG H H 126 8.260 8.101 0.159 1
1 759 . 42 1 1 A 66 66 ARG HA H 126 4.270 4.550 -0.280 1
1 764 . 42 1 1 A 66 66 ARG C C 126 176.210 176.165 0.045 1
1 765 . 42 1 1 A 66 66 ARG CA C 126 56.190 57.492 -1.302 1
1 766 . 42 1 1 A 66 66 ARG CB C 126 30.810 32.400 -1.590 1
1 769 . 42 1 1 A 66 66 ARG N N 126 122.760 119.785 2.975 1
1 770 . 42 1 1 A 67 67 LYS H H 127 8.270 8.020 0.250 1
1 771 . 42 1 1 A 67 67 LYS HA H 127 4.260 3.988 0.272 1
1 776 . 42 1 1 A 67 67 LYS C C 127 176.450 175.964 0.486 1
1 777 . 42 1 1 A 67 67 LYS CA C 127 56.320 57.376 -1.056 1
1 778 . 42 1 1 A 67 67 LYS CB C 127 33.180 29.869 3.311 1
1 782 . 42 1 1 A 67 67 LYS N N 127 123.620 118.059 5.561 1
1 783 . 42 1 1 A 68 68 ARG H H 128 8.340 8.245 0.095 1
1 784 . 42 1 1 A 68 68 ARG HA H 128 4.270 4.056 0.214 1
1 788 . 42 1 1 A 68 68 ARG C C 128 176.250 175.557 0.693 1
1 789 . 42 1 1 A 68 68 ARG CA C 128 56.130 58.401 -2.271 1
1 790 . 42 1 1 A 68 68 ARG CB C 128 31.060 29.344 1.716 1
1 793 . 42 1 1 A 68 68 ARG N N 128 123.750 116.402 7.348 1
1 794 . 42 1 1 A 69 69 LYS H H 129 8.450 8.656 -0.206 1
1 795 . 42 1 1 A 69 69 LYS HA H 129 4.250 4.534 -0.284 1
1 800 . 42 1 1 A 69 69 LYS C C 129 177.010 176.261 0.749 1
1 801 . 42 1 1 A 69 69 LYS CA C 129 57.000 55.487 1.513 1
1 802 . 42 1 1 A 69 69 LYS CB C 129 32.940 34.289 -1.349 1
1 806 . 42 1 1 A 69 69 LYS N N 129 124.580 122.800 1.780 1
1 807 . 42 1 1 A 70 70 GLY H H 130 8.500 8.036 0.464 1
1 808 . 42 1 1 A 70 70 GLY HA2 H 130 3.910 4.098 -0.188 1
1 809 . 42 1 1 A 70 70 GLY HA3 H 130 4.010 4.098 -0.088 1
1 810 . 42 1 1 A 70 70 GLY C C 130 173.360 173.696 -0.336 1
1 811 . 42 1 1 A 70 70 GLY CA C 130 45.370 45.373 -0.003 1
1 812 . 42 1 1 A 70 70 GLY N N 130 112.470 109.179 3.291 1
1 6 . 43 1 1 A 2 2 ASN HA H 62 4.610 4.987 -0.377 1
1 10 . 43 1 1 A 2 2 ASN C C 62 174.760 175.074 -0.314 1
1 11 . 43 1 1 A 2 2 ASN CA C 62 53.100 52.886 0.214 1
1 12 . 43 1 1 A 2 2 ASN CB C 62 38.790 39.825 -1.035 1
1 14 . 43 1 1 A 3 3 ALA H H 63 8.300 7.918 0.382 1
1 15 . 43 1 1 A 3 3 ALA HA H 63 4.200 4.418 -0.218 1
1 19 . 43 1 1 A 3 3 ALA C C 63 178.180 176.779 1.401 1
1 20 . 43 1 1 A 3 3 ALA CA C 63 53.070 50.794 2.276 1
1 21 . 43 1 1 A 3 3 ALA CB C 63 18.960 19.681 -0.721 1
1 22 . 43 1 1 A 3 3 ALA N N 63 125.390 123.774 1.616 1
1 23 . 43 1 1 A 4 4 GLY H H 64 8.340 7.895 0.445 1
1 24 . 43 1 1 A 4 4 GLY HA2 H 64 3.800 4.105 -0.305 1
1 25 . 43 1 1 A 4 4 GLY HA3 H 64 3.860 4.108 -0.248 1
1 26 . 43 1 1 A 4 4 GLY C C 64 174.010 172.754 1.256 1
1 27 . 43 1 1 A 4 4 GLY CA C 64 45.350 45.910 -0.560 1
1 28 . 43 1 1 A 4 4 GLY N N 64 109.300 107.357 1.943 1
1 29 . 43 1 1 A 5 5 GLN H H 65 7.950 8.362 -0.412 1
1 30 . 43 1 1 A 5 5 GLN HA H 65 4.330 4.852 -0.522 1
1 35 . 43 1 1 A 5 5 GLN C C 65 175.560 174.739 0.821 1
1 36 . 43 1 1 A 5 5 GLN CA C 65 55.400 54.041 1.359 1
1 37 . 43 1 1 A 5 5 GLN CB C 65 29.860 32.387 -2.527 1
1 39 . 43 1 1 A 5 5 GLN N N 65 119.540 120.332 -0.792 1
1 41 . 43 1 1 A 6 6 LEU H H 66 8.740 9.080 -0.340 1
1 42 . 43 1 1 A 6 6 LEU HA H 66 4.610 4.968 -0.358 1
1 52 . 43 1 1 A 6 6 LEU C C 66 175.750 175.273 0.477 1
1 53 . 43 1 1 A 6 6 LEU CA C 66 54.010 53.216 0.794 1
1 54 . 43 1 1 A 6 6 LEU CB C 66 43.490 45.596 -2.106 1
1 58 . 43 1 1 A 6 6 LEU N N 66 126.120 121.499 4.621 1
1 59 . 43 1 1 A 7 7 CYS H H 67 8.470 8.465 0.005 1
1 60 . 43 1 1 A 7 7 CYS HA H 67 4.140 4.413 -0.273 1
1 63 . 43 1 1 A 7 7 CYS C C 67 175.320 176.570 -1.250 1
1 64 . 43 1 1 A 7 7 CYS CA C 67 60.780 60.034 0.746 1
1 65 . 43 1 1 A 7 7 CYS CB C 67 32.850 28.508 4.342 1
1 66 . 43 1 1 A 7 7 CYS N N 67 123.170 123.991 -0.821 1
1 67 . 43 1 1 A 8 8 CYS H H 68 8.170 8.836 -0.666 1
1 68 . 43 1 1 A 8 8 CYS HA H 68 4.280 4.664 -0.384 1
1 72 . 43 1 1 A 8 8 CYS C C 68 172.410 174.282 -1.872 1
1 73 . 43 1 1 A 8 8 CYS CA C 68 58.920 58.655 0.265 1
1 74 . 43 1 1 A 8 8 CYS CB C 68 28.920 27.611 1.309 1
1 75 . 43 1 1 A 8 8 CYS N N 68 124.700 123.501 1.199 1
1 76 . 43 1 1 A 9 9 LEU H H 69 8.180 7.649 0.531 1
1 77 . 43 1 1 A 9 9 LEU HA H 69 4.580 4.762 -0.182 1
1 87 . 43 1 1 A 9 9 LEU C C 69 176.770 176.047 0.723 1
1 88 . 43 1 1 A 9 9 LEU CA C 69 54.760 52.942 1.818 1
1 89 . 43 1 1 A 9 9 LEU CB C 69 43.150 44.777 -1.627 1
1 93 . 43 1 1 A 9 9 LEU N N 69 122.650 122.606 0.044 1
1 94 . 43 1 1 A 10 10 ARG H H 70 8.880 8.309 0.571 1
1 95 . 43 1 1 A 10 10 ARG HA H 70 4.770 5.197 -0.427 1
1 102 . 43 1 1 A 10 10 ARG C C 70 174.900 174.225 0.675 1
1 103 . 43 1 1 A 10 10 ARG CA C 70 54.710 54.591 0.119 1
1 104 . 43 1 1 A 10 10 ARG CB C 70 33.390 31.827 1.563 1
1 107 . 43 1 1 A 10 10 ARG N N 70 117.650 122.082 -4.432 1
1 108 . 43 1 1 A 11 11 GLU H H 71 8.640 8.935 -0.295 1
1 109 . 43 1 1 A 11 11 GLU HA H 71 5.090 4.609 0.481 1
1 113 . 43 1 1 A 11 11 GLU C C 71 176.070 176.179 -0.109 1
1 114 . 43 1 1 A 11 11 GLU CA C 71 54.270 55.870 -1.600 1
1 115 . 43 1 1 A 11 11 GLU CB C 71 32.460 31.485 0.975 1
1 117 . 43 1 1 A 11 11 GLU N N 71 123.910 125.684 -1.774 1
1 118 . 43 1 1 A 12 12 ASP H H 72 9.510 9.106 0.404 1
1 119 . 43 1 1 A 12 12 ASP HA H 72 4.270 4.368 -0.098 1
1 122 . 43 1 1 A 12 12 ASP C C 72 175.890 176.141 -0.251 1
1 123 . 43 1 1 A 12 12 ASP CA C 72 55.880 55.340 0.540 1
1 124 . 43 1 1 A 12 12 ASP CB C 72 39.910 39.454 0.456 1
1 125 . 43 1 1 A 12 12 ASP N N 72 129.440 128.187 1.253 1
1 126 . 43 1 1 A 13 13 GLY H H 73 8.970 8.354 0.616 1
1 127 . 43 1 1 A 13 13 GLY HA2 H 73 3.520 3.861 -0.341 1
1 128 . 43 1 1 A 13 13 GLY HA3 H 73 4.200 3.864 0.336 1
1 129 . 43 1 1 A 13 13 GLY C C 73 173.960 173.615 0.345 1
1 130 . 43 1 1 A 13 13 GLY CA C 73 45.350 45.257 0.093 1
1 131 . 43 1 1 A 13 13 GLY N N 73 103.500 104.901 -1.401 1
1 132 . 43 1 1 A 14 14 GLU H H 74 7.660 8.000 -0.340 1
1 133 . 43 1 1 A 14 14 GLU HA H 74 4.640 4.518 0.122 1
1 138 . 43 1 1 A 14 14 GLU C C 74 176.170 175.818 0.352 1
1 139 . 43 1 1 A 14 14 GLU CA C 74 54.460 55.554 -1.094 1
1 140 . 43 1 1 A 14 14 GLU CB C 74 32.050 30.789 1.261 1
1 142 . 43 1 1 A 14 14 GLU N N 74 121.330 120.452 0.878 1
1 143 . 43 1 1 A 15 15 ARG H H 75 9.000 8.757 0.243 1
1 144 . 43 1 1 A 15 15 ARG HA H 75 4.120 4.342 -0.222 1
1 150 . 43 1 1 A 15 15 ARG C C 75 175.230 175.904 -0.674 1
1 151 . 43 1 1 A 15 15 ARG CA C 75 56.640 54.938 1.702 1
1 152 . 43 1 1 A 15 15 ARG CB C 75 29.720 28.725 0.995 1
1 155 . 43 1 1 A 15 15 ARG N N 75 127.990 124.126 3.864 1
1 156 . 43 1 1 A 16 16 CYS H H 76 8.870 9.028 -0.158 1
1 157 . 43 1 1 A 16 16 CYS HA H 76 4.170 4.288 -0.118 1
1 160 . 43 1 1 A 16 16 CYS CA C 76 61.840 61.166 0.674 1
1 161 . 43 1 1 A 16 16 CYS CB C 76 31.150 27.898 3.252 1
1 162 . 43 1 1 A 16 16 CYS N N 76 131.840 124.510 7.330 1
1 163 . 43 1 1 A 17 17 GLY H H 77 8.530 7.876 0.654 1
1 164 . 43 1 1 A 17 17 GLY HA2 H 77 3.680 3.933 -0.253 1
1 165 . 43 1 1 A 17 17 GLY HA3 H 77 4.340 3.958 0.382 1
1 166 . 43 1 1 A 17 17 GLY C C 77 174.620 173.997 0.623 1
1 167 . 43 1 1 A 17 17 GLY CA C 77 45.110 44.994 0.116 1
1 168 . 43 1 1 A 17 17 GLY N N 77 111.930 108.394 3.536 1
1 169 . 43 1 1 A 18 18 ARG H H 78 8.960 7.792 1.168 1
1 170 . 43 1 1 A 18 18 ARG HA H 78 4.290 4.458 -0.168 1
1 177 . 43 1 1 A 18 18 ARG C C 78 175.270 175.690 -0.420 1
1 178 . 43 1 1 A 18 18 ARG CA C 78 56.350 54.966 1.384 1
1 179 . 43 1 1 A 18 18 ARG CB C 78 31.310 31.618 -0.308 1
1 182 . 43 1 1 A 18 18 ARG N N 78 124.390 121.686 2.704 1
1 183 . 43 1 1 A 19 19 ALA H H 79 8.340 8.489 -0.149 1
1 184 . 43 1 1 A 19 19 ALA HA H 79 4.170 4.207 -0.037 1
1 188 . 43 1 1 A 19 19 ALA C C 79 177.620 177.444 0.176 1
1 189 . 43 1 1 A 19 19 ALA CA C 79 52.710 52.291 0.419 1
1 190 . 43 1 1 A 19 19 ALA CB C 79 18.710 18.962 -0.252 1
1 191 . 43 1 1 A 19 19 ALA N N 79 123.880 127.151 -3.271 1
1 192 . 43 1 1 A 20 20 ALA H H 80 8.470 8.075 0.395 1
1 193 . 43 1 1 A 20 20 ALA HA H 80 3.540 4.292 -0.752 1
1 197 . 43 1 1 A 20 20 ALA C C 80 177.560 178.151 -0.591 1
1 198 . 43 1 1 A 20 20 ALA CA C 80 52.840 52.381 0.459 1
1 199 . 43 1 1 A 20 20 ALA CB C 80 19.050 19.696 -0.646 1
1 200 . 43 1 1 A 20 20 ALA N N 80 124.580 123.161 1.419 1
1 201 . 43 1 1 A 21 21 GLY H H 81 8.090 8.370 -0.280 1
1 202 . 43 1 1 A 21 21 GLY HA2 H 81 3.800 4.220 -0.420 1
1 203 . 43 1 1 A 21 21 GLY HA3 H 81 4.430 4.249 0.181 1
1 204 . 43 1 1 A 21 21 GLY C C 81 173.170 174.729 -1.559 1
1 205 . 43 1 1 A 21 21 GLY CA C 81 44.390 44.538 -0.148 1
1 206 . 43 1 1 A 21 21 GLY N N 81 114.000 106.653 7.347 1
1 207 . 43 1 1 A 22 22 ASN H H 82 8.690 8.433 0.257 1
1 208 . 43 1 1 A 22 22 ASN HA H 82 4.650 4.829 -0.179 1
1 213 . 43 1 1 A 22 22 ASN C C 82 176.260 175.295 0.965 1
1 214 . 43 1 1 A 22 22 ASN CA C 82 53.580 53.600 -0.020 1
1 215 . 43 1 1 A 22 22 ASN CB C 82 39.580 39.493 0.087 1
1 216 . 43 1 1 A 22 22 ASN N N 82 118.160 118.610 -0.450 1
1 218 . 43 1 1 A 23 23 ALA H H 83 8.720 7.614 1.106 1
1 219 . 43 1 1 A 23 23 ALA HA H 83 4.570 4.372 0.198 1
1 223 . 43 1 1 A 23 23 ALA C C 83 175.910 176.449 -0.539 1
1 224 . 43 1 1 A 23 23 ALA CA C 83 52.340 52.262 0.078 1
1 225 . 43 1 1 A 23 23 ALA CB C 83 19.370 20.248 -0.878 1
1 226 . 43 1 1 A 23 23 ALA N N 83 125.180 122.366 2.814 1
1 227 . 43 1 1 A 24 24 SER H H 84 7.970 8.481 -0.511 1
1 228 . 43 1 1 A 24 24 SER HA H 84 5.310 5.239 0.071 1
1 230 . 43 1 1 A 24 24 SER C C 84 174.620 172.180 2.440 1
1 231 . 43 1 1 A 24 24 SER CA C 84 56.550 57.237 -0.687 1
1 232 . 43 1 1 A 24 24 SER CB C 84 66.420 66.563 -0.143 1
1 233 . 43 1 1 A 24 24 SER N N 84 112.840 115.385 -2.545 1
1 234 . 43 1 1 A 25 25 PHE H H 85 9.580 8.953 0.627 1
1 235 . 43 1 1 A 25 25 PHE HA H 85 4.320 5.005 -0.685 1
1 241 . 43 1 1 A 25 25 PHE C C 85 173.430 174.461 -1.031 1
1 242 . 43 1 1 A 25 25 PHE CA C 85 57.780 57.833 -0.053 1
1 243 . 43 1 1 A 25 25 PHE CB C 85 38.780 41.601 -2.821 1
1 247 . 43 1 1 A 25 25 PHE N N 85 125.520 125.317 0.203 1
1 248 . 43 1 1 A 26 26 SER H H 86 6.780 8.120 -1.340 1
1 249 . 43 1 1 A 26 26 SER HA H 86 4.430 4.651 -0.221 1
1 252 . 43 1 1 A 26 26 SER C C 86 174.200 173.828 0.372 1
1 253 . 43 1 1 A 26 26 SER CA C 86 56.610 55.490 1.120 1
1 254 . 43 1 1 A 26 26 SER CB C 86 66.010 65.289 0.721 1
1 255 . 43 1 1 A 26 26 SER N N 86 118.860 120.847 -1.987 1
1 256 . 43 1 1 A 27 27 LYS H H 87 8.710 8.496 0.214 1
1 257 . 43 1 1 A 27 27 LYS HA H 87 3.850 3.775 0.075 1
1 263 . 43 1 1 A 27 27 LYS C C 87 178.490 177.631 0.859 1
1 264 . 43 1 1 A 27 27 LYS CA C 87 59.390 59.313 0.077 1
1 265 . 43 1 1 A 27 27 LYS CB C 87 31.970 32.248 -0.278 1
1 269 . 43 1 1 A 27 27 LYS N N 87 121.790 124.900 -3.110 1
1 270 . 43 1 1 A 28 28 ARG H H 88 8.010 7.728 0.282 1
1 271 . 43 1 1 A 28 28 ARG HA H 88 3.990 4.011 -0.021 1
1 277 . 43 1 1 A 28 28 ARG C C 88 178.890 178.742 0.148 1
1 278 . 43 1 1 A 28 28 ARG CA C 88 59.010 58.572 0.438 1
1 279 . 43 1 1 A 28 28 ARG CB C 88 30.120 29.779 0.341 1
1 282 . 43 1 1 A 28 28 ARG N N 88 119.520 119.237 0.283 1
1 283 . 43 1 1 A 29 29 ILE H H 89 7.350 8.039 -0.689 1
1 284 . 43 1 1 A 29 29 ILE HA H 89 3.680 3.654 0.026 1
1 294 . 43 1 1 A 29 29 ILE C C 89 177.620 177.649 -0.029 1
1 295 . 43 1 1 A 29 29 ILE CA C 89 63.170 65.066 -1.896 1
1 296 . 43 1 1 A 29 29 ILE CB C 89 36.900 36.874 0.026 1
1 300 . 43 1 1 A 29 29 ILE N N 89 121.980 119.923 2.057 1
1 301 . 43 1 1 A 30 30 GLN H H 90 7.990 7.478 0.512 1
1 302 . 43 1 1 A 30 30 GLN HA H 90 3.630 3.996 -0.366 1
1 308 . 43 1 1 A 30 30 GLN C C 90 178.320 178.599 -0.279 1
1 309 . 43 1 1 A 30 30 GLN CA C 90 59.200 58.951 0.249 1
1 310 . 43 1 1 A 30 30 GLN CB C 90 28.700 28.078 0.622 1
1 312 . 43 1 1 A 30 30 GLN N N 90 121.020 120.529 0.491 1
1 314 . 43 1 1 A 31 31 LYS H H 91 7.990 8.163 -0.173 1
1 315 . 43 1 1 A 31 31 LYS HA H 91 4.090 4.050 0.040 1
1 321 . 43 1 1 A 31 31 LYS C C 91 178.650 179.199 -0.549 1
1 322 . 43 1 1 A 31 31 LYS CA C 91 58.720 59.179 -0.459 1
1 323 . 43 1 1 A 31 31 LYS CB C 91 32.220 32.269 -0.049 1
1 327 . 43 1 1 A 31 31 LYS N N 91 119.520 119.196 0.324 1
1 328 . 43 1 1 A 32 32 SER H H 92 7.770 8.575 -0.805 1
1 329 . 43 1 1 A 32 32 SER HA H 92 4.320 4.089 0.231 1
1 332 . 43 1 1 A 32 32 SER C C 92 176.110 176.147 -0.037 1
1 333 . 43 1 1 A 32 32 SER CA C 92 61.260 62.222 -0.962 1
1 334 . 43 1 1 A 32 32 SER CB C 92 63.610 62.860 0.750 1
1 335 . 43 1 1 A 32 32 SER N N 92 116.310 115.849 0.461 1
1 336 . 43 1 1 A 33 33 ILE H H 93 7.960 7.973 -0.013 1
1 337 . 43 1 1 A 33 33 ILE HA H 93 3.920 3.519 0.401 1
1 347 . 43 1 1 A 33 33 ILE C C 93 177.480 177.801 -0.321 1
1 348 . 43 1 1 A 33 33 ILE CA C 93 63.610 65.229 -1.619 1
1 349 . 43 1 1 A 33 33 ILE CB C 93 38.330 37.780 0.550 1
1 353 . 43 1 1 A 33 33 ILE N N 93 119.950 122.048 -2.098 1
1 354 . 43 1 1 A 34 34 SER H H 94 7.970 8.045 -0.075 1
1 355 . 43 1 1 A 34 34 SER HA H 94 4.390 4.089 0.301 1
1 357 . 43 1 1 A 34 34 SER C C 94 176.490 176.133 0.357 1
1 358 . 43 1 1 A 34 34 SER CA C 94 60.560 62.370 -1.810 1
1 359 . 43 1 1 A 34 34 SER CB C 94 63.130 63.340 -0.210 1
1 360 . 43 1 1 A 34 34 SER N N 94 117.230 116.086 1.144 1
1 361 . 43 1 1 A 35 35 GLN H H 95 8.220 7.552 0.668 1
1 362 . 43 1 1 A 35 35 GLN HA H 95 4.260 4.159 0.101 1
1 369 . 43 1 1 A 35 35 GLN C C 95 177.050 178.608 -1.558 1
1 370 . 43 1 1 A 35 35 GLN CA C 95 57.360 58.590 -1.230 1
1 371 . 43 1 1 A 35 35 GLN CB C 95 28.900 28.695 0.205 1
1 373 . 43 1 1 A 35 35 GLN N N 95 121.530 121.063 0.467 1
1 375 . 43 1 1 A 36 36 LYS H H 96 7.870 7.881 -0.011 1
1 376 . 43 1 1 A 36 36 LYS HA H 96 4.280 4.124 0.156 1
1 383 . 43 1 1 A 36 36 LYS C C 96 176.160 176.387 -0.227 1
1 384 . 43 1 1 A 36 36 LYS CA C 96 56.570 59.136 -2.566 1
1 385 . 43 1 1 A 36 36 LYS CB C 96 33.600 32.740 0.860 1
1 389 . 43 1 1 A 36 36 LYS N N 96 118.550 116.622 1.928 1
1 390 . 43 1 1 A 37 37 LYS H H 97 8.110 8.716 -0.606 1
1 391 . 43 1 1 A 37 37 LYS HA H 97 4.110 3.873 0.237 1
1 396 . 43 1 1 A 37 37 LYS C C 97 176.210 175.202 1.008 1
1 397 . 43 1 1 A 37 37 LYS CA C 97 57.230 57.120 0.110 1
1 398 . 43 1 1 A 37 37 LYS CB C 97 30.580 30.441 0.139 1
1 402 . 43 1 1 A 37 37 LYS N N 97 117.680 116.967 0.713 1
1 403 . 43 1 1 A 38 38 VAL H H 98 7.430 7.792 -0.362 1
1 404 . 43 1 1 A 38 38 VAL HA H 98 4.350 4.918 -0.568 1
1 412 . 43 1 1 A 38 38 VAL C C 98 175.830 174.747 1.083 1
1 413 . 43 1 1 A 38 38 VAL CA C 98 60.580 58.641 1.939 1
1 414 . 43 1 1 A 38 38 VAL CB C 98 33.410 35.369 -1.959 1
1 417 . 43 1 1 A 38 38 VAL N N 98 115.860 114.639 1.221 1
1 418 . 43 1 1 A 39 39 LYS H H 99 8.960 8.364 0.596 1
1 419 . 43 1 1 A 39 39 LYS HA H 99 4.430 4.398 0.032 1
1 425 . 43 1 1 A 39 39 LYS C C 99 175.700 174.591 1.109 1
1 426 . 43 1 1 A 39 39 LYS CA C 99 55.420 56.196 -0.776 1
1 427 . 43 1 1 A 39 39 LYS CB C 99 30.580 30.646 -0.066 1
1 431 . 43 1 1 A 39 39 LYS N N 99 127.710 121.091 6.619 1
1 432 . 43 1 1 A 40 40 ILE H H 100 7.660 7.931 -0.271 1
1 433 . 43 1 1 A 40 40 ILE HA H 100 5.020 4.739 0.281 1
1 443 . 43 1 1 A 40 40 ILE C C 100 174.520 174.986 -0.466 1
1 444 . 43 1 1 A 40 40 ILE CA C 100 59.370 60.549 -1.179 1
1 445 . 43 1 1 A 40 40 ILE CB C 100 40.650 39.893 0.757 1
1 449 . 43 1 1 A 40 40 ILE N N 100 123.140 124.043 -0.903 1
1 450 . 43 1 1 A 41 41 GLU H H 101 8.490 8.967 -0.477 1
1 451 . 43 1 1 A 41 41 GLU HA H 101 4.620 4.967 -0.347 1
1 456 . 43 1 1 A 41 41 GLU C C 101 173.590 174.789 -1.199 1
1 457 . 43 1 1 A 41 41 GLU CA C 101 53.740 54.619 -0.879 1
1 458 . 43 1 1 A 41 41 GLU CB C 101 34.580 33.431 1.149 1
1 460 . 43 1 1 A 41 41 GLU N N 101 123.460 124.850 -1.390 1
1 461 . 43 1 1 A 42 42 LEU H H 102 8.490 8.314 0.176 1
1 462 . 43 1 1 A 42 42 LEU HA H 102 3.790 4.535 -0.745 1
1 472 . 43 1 1 A 42 42 LEU C C 102 176.440 175.978 0.462 1
1 473 . 43 1 1 A 42 42 LEU CA C 102 55.190 54.249 0.941 1
1 474 . 43 1 1 A 42 42 LEU CB C 102 43.100 43.298 -0.198 1
1 478 . 43 1 1 A 42 42 LEU N N 102 123.470 125.285 -1.815 1
1 479 . 43 1 1 A 43 43 ASP H H 103 8.770 7.975 0.795 1
1 480 . 43 1 1 A 43 43 ASP HA H 103 4.520 4.496 0.024 1
1 483 . 43 1 1 A 43 43 ASP C C 103 177.600 176.121 1.479 1
1 484 . 43 1 1 A 43 43 ASP CA C 103 53.740 54.563 -0.823 1
1 485 . 43 1 1 A 43 43 ASP CB C 103 41.880 41.902 -0.022 1
1 486 . 43 1 1 A 43 43 ASP N N 103 127.210 126.031 1.179 1
1 487 . 43 1 1 A 44 44 LYS H H 104 8.910 8.980 -0.070 1
1 488 . 43 1 1 A 44 44 LYS HA H 104 3.920 4.253 -0.333 1
1 495 . 43 1 1 A 44 44 LYS C C 104 177.340 177.681 -0.341 1
1 496 . 43 1 1 A 44 44 LYS CA C 104 58.930 57.682 1.248 1
1 497 . 43 1 1 A 44 44 LYS CB C 104 32.000 32.706 -0.706 1
1 501 . 43 1 1 A 44 44 LYS N N 104 129.080 127.377 1.703 1
1 502 . 43 1 1 A 45 45 SER H H 105 8.740 7.281 1.459 1
1 503 . 43 1 1 A 45 45 SER HA H 105 4.370 4.435 -0.065 1
1 506 . 43 1 1 A 45 45 SER C C 105 175.040 174.665 0.375 1
1 507 . 43 1 1 A 45 45 SER CA C 105 59.150 58.437 0.713 1
1 508 . 43 1 1 A 45 45 SER CB C 105 63.830 63.770 0.060 1
1 509 . 43 1 1 A 45 45 SER N N 105 115.270 111.541 3.729 1
1 510 . 43 1 1 A 46 46 ALA H H 106 7.430 7.326 0.104 1
1 511 . 43 1 1 A 46 46 ALA HA H 106 4.150 4.206 -0.056 1
1 515 . 43 1 1 A 46 46 ALA CA C 106 53.300 52.331 0.969 1
1 516 . 43 1 1 A 46 46 ALA CB C 106 19.190 19.871 -0.681 1
1 517 . 43 1 1 A 46 46 ALA N N 106 125.120 125.850 -0.730 1
1 518 . 43 1 1 A 47 47 ARG HA H 107 4.280 4.466 -0.186 1
1 526 . 43 1 1 A 48 48 HIS HA H 108 4.650 4.863 -0.213 1
1 531 . 43 1 1 A 48 48 HIS C C 108 173.160 172.832 0.328 1
1 532 . 43 1 1 A 48 48 HIS CA C 108 54.990 54.955 0.035 1
1 533 . 43 1 1 A 48 48 HIS CB C 108 33.400 31.661 1.739 1
1 538 . 43 1 1 A 49 49 LEU H H 109 8.030 8.849 -0.819 1
1 539 . 43 1 1 A 49 49 LEU HA H 109 5.040 4.560 0.480 1
1 549 . 43 1 1 A 49 49 LEU CA C 109 54.480 55.057 -0.577 1
1 550 . 43 1 1 A 49 49 LEU CB C 109 43.010 43.108 -0.098 1
1 554 . 43 1 1 A 49 49 LEU N N 109 120.130 119.315 0.815 1
1 555 . 43 1 1 A 50 50 TYR HA H 110 5.020 4.563 0.457 1
1 560 . 43 1 1 A 50 50 TYR C C 110 176.960 175.502 1.458 1
1 561 . 43 1 1 A 50 50 TYR CA C 110 60.340 58.708 1.632 1
1 562 . 43 1 1 A 50 50 TYR CB C 110 39.210 37.333 1.877 1
1 565 . 43 1 1 A 51 51 ILE H H 111 8.510 8.270 0.240 1
1 566 . 43 1 1 A 51 51 ILE HA H 111 5.960 5.011 0.949 1
1 576 . 43 1 1 A 51 51 ILE C C 111 177.900 175.372 2.528 1
1 577 . 43 1 1 A 51 51 ILE CA C 111 58.100 59.318 -1.218 1
1 578 . 43 1 1 A 51 51 ILE CB C 111 41.370 41.399 -0.029 1
1 582 . 43 1 1 A 51 51 ILE N N 111 115.050 120.872 -5.822 1
1 583 . 43 1 1 A 52 52 CYS H H 112 9.830 8.901 0.929 1
1 584 . 43 1 1 A 52 52 CYS HA H 112 5.000 4.813 0.187 1
1 587 . 43 1 1 A 52 52 CYS C C 112 175.420 175.685 -0.265 1
1 588 . 43 1 1 A 52 52 CYS CA C 112 57.770 58.093 -0.323 1
1 589 . 43 1 1 A 52 52 CYS CB C 112 33.120 29.736 3.384 1
1 590 . 43 1 1 A 52 52 CYS N N 112 125.820 121.486 4.334 1
1 591 . 43 1 1 A 53 53 ASP H H 113 9.000 8.936 0.064 1
1 592 . 43 1 1 A 53 53 ASP HA H 113 4.510 4.337 0.173 1
1 594 . 43 1 1 A 53 53 ASP C C 113 178.140 178.114 0.026 1
1 595 . 43 1 1 A 53 53 ASP CA C 113 57.330 57.710 -0.380 1
1 596 . 43 1 1 A 53 53 ASP CB C 113 39.730 40.233 -0.503 1
1 597 . 43 1 1 A 53 53 ASP N N 113 121.960 121.242 0.718 1
1 598 . 43 1 1 A 54 54 TYR H H 114 8.220 8.201 0.019 1
1 599 . 43 1 1 A 54 54 TYR HA H 114 4.100 4.137 -0.037 1
1 604 . 43 1 1 A 54 54 TYR C C 114 178.410 177.125 1.285 1
1 605 . 43 1 1 A 54 54 TYR CA C 114 61.970 61.721 0.249 1
1 606 . 43 1 1 A 54 54 TYR CB C 114 37.150 38.718 -1.568 1
1 609 . 43 1 1 A 54 54 TYR N N 114 123.510 122.213 1.297 1
1 610 . 43 1 1 A 55 55 HIS H H 115 10.090 7.728 2.362 1
1 611 . 43 1 1 A 55 55 HIS HA H 115 4.040 4.327 -0.287 1
1 616 . 43 1 1 A 55 55 HIS C C 115 177.240 177.560 -0.320 1
1 617 . 43 1 1 A 55 55 HIS CA C 115 63.870 59.777 4.093 1
1 618 . 43 1 1 A 55 55 HIS CB C 115 29.600 29.993 -0.393 1
1 621 . 43 1 1 A 55 55 HIS N N 115 124.830 117.097 7.733 1
1 624 . 43 1 1 A 56 56 LYS H H 116 8.830 8.475 0.355 1
1 625 . 43 1 1 A 56 56 LYS HA H 116 3.720 3.885 -0.165 1
1 633 . 43 1 1 A 56 56 LYS C C 116 178.140 178.953 -0.813 1
1 634 . 43 1 1 A 56 56 LYS CA C 116 60.590 60.018 0.572 1
1 635 . 43 1 1 A 56 56 LYS CB C 116 32.230 32.502 -0.272 1
1 639 . 43 1 1 A 56 56 LYS N N 116 123.340 120.748 2.592 1
1 640 . 43 1 1 A 57 57 ASN H H 117 8.140 8.300 -0.160 1
1 641 . 43 1 1 A 57 57 ASN HA H 117 4.340 4.497 -0.157 1
1 646 . 43 1 1 A 57 57 ASN C C 117 177.570 177.476 0.094 1
1 647 . 43 1 1 A 57 57 ASN CA C 117 55.890 56.136 -0.246 1
1 648 . 43 1 1 A 57 57 ASN CB C 117 38.070 38.671 -0.601 1
1 649 . 43 1 1 A 57 57 ASN N N 117 116.920 118.336 -1.416 1
1 651 . 43 1 1 A 58 58 LEU H H 118 7.890 7.649 0.241 1
1 652 . 43 1 1 A 58 58 LEU HA H 118 3.930 3.996 -0.066 1
1 662 . 43 1 1 A 58 58 LEU C C 118 179.400 178.811 0.589 1
1 663 . 43 1 1 A 58 58 LEU CA C 118 58.420 57.831 0.589 1
1 664 . 43 1 1 A 58 58 LEU CB C 118 43.170 41.710 1.460 1
1 668 . 43 1 1 A 58 58 LEU N N 118 123.590 120.036 3.554 1
1 669 . 43 1 1 A 59 59 ILE H H 119 8.360 7.915 0.445 1
1 670 . 43 1 1 A 59 59 ILE HA H 119 3.470 3.942 -0.472 1
1 680 . 43 1 1 A 59 59 ILE C C 119 177.290 178.346 -1.056 1
1 681 . 43 1 1 A 59 59 ILE CA C 119 65.260 64.098 1.162 1
1 682 . 43 1 1 A 59 59 ILE CB C 119 38.330 38.032 0.298 1
1 686 . 43 1 1 A 59 59 ILE N N 119 118.630 118.631 -0.001 1
1 687 . 43 1 1 A 60 60 GLN H H 120 7.830 8.453 -0.623 1
1 688 . 43 1 1 A 60 60 GLN HA H 120 4.130 4.071 0.059 1
1 694 . 43 1 1 A 60 60 GLN C C 120 177.240 177.580 -0.340 1
1 695 . 43 1 1 A 60 60 GLN CA C 120 57.750 59.098 -1.348 1
1 696 . 43 1 1 A 60 60 GLN CB C 120 28.910 28.692 0.218 1
1 698 . 43 1 1 A 60 60 GLN N N 120 117.840 120.568 -2.728 1
1 700 . 43 1 1 A 61 61 SER H H 121 7.790 7.887 -0.097 1
1 701 . 43 1 1 A 61 61 SER HA H 121 4.300 4.657 -0.357 1
1 703 . 43 1 1 A 61 61 SER C C 121 175.650 174.859 0.791 1
1 704 . 43 1 1 A 61 61 SER CA C 121 60.090 58.426 1.664 1
1 705 . 43 1 1 A 61 61 SER CB C 121 63.570 62.648 0.922 1
1 706 . 43 1 1 A 61 61 SER N N 121 115.460 113.288 2.172 1
1 707 . 43 1 1 A 62 62 VAL H H 122 8.020 7.815 0.205 1
1 708 . 43 1 1 A 62 62 VAL HA H 122 4.020 4.242 -0.222 1
1 716 . 43 1 1 A 62 62 VAL C C 122 176.960 176.502 0.458 1
1 717 . 43 1 1 A 62 62 VAL CA C 122 63.600 63.135 0.465 1
1 718 . 43 1 1 A 62 62 VAL CB C 122 32.300 34.468 -2.168 1
1 721 . 43 1 1 A 62 62 VAL N N 122 121.600 120.562 1.038 1
1 722 . 43 1 1 A 63 63 ARG H H 123 8.130 8.128 0.002 1
1 723 . 43 1 1 A 63 63 ARG HA H 123 4.190 4.504 -0.314 1
1 729 . 43 1 1 A 63 63 ARG C C 123 176.490 175.878 0.612 1
1 730 . 43 1 1 A 63 63 ARG CA C 123 57.070 55.103 1.967 1
1 731 . 43 1 1 A 63 63 ARG CB C 123 30.780 30.138 0.642 1
1 734 . 43 1 1 A 63 63 ARG N N 123 122.770 118.431 4.339 1
1 735 . 43 1 1 A 64 64 ASN H H 124 8.210 7.873 0.337 1
1 736 . 43 1 1 A 64 64 ASN HA H 124 4.650 4.989 -0.339 1
1 741 . 43 1 1 A 64 64 ASN C C 124 175.310 175.804 -0.494 1
1 742 . 43 1 1 A 64 64 ASN CA C 124 53.500 52.280 1.220 1
1 743 . 43 1 1 A 64 64 ASN CB C 124 38.840 39.394 -0.554 1
1 744 . 43 1 1 A 64 64 ASN N N 124 119.350 117.685 1.665 1
1 746 . 43 1 1 A 65 65 ARG H H 125 8.100 7.852 0.248 1
1 747 . 43 1 1 A 65 65 ARG HA H 125 4.270 4.571 -0.301 1
1 752 . 43 1 1 A 65 65 ARG C C 125 176.310 176.051 0.259 1
1 753 . 43 1 1 A 65 65 ARG CA C 125 56.580 55.148 1.432 1
1 754 . 43 1 1 A 65 65 ARG CB C 125 30.810 30.217 0.593 1
1 757 . 43 1 1 A 65 65 ARG N N 125 122.230 119.153 3.077 1
1 758 . 43 1 1 A 66 66 ARG H H 126 8.260 7.655 0.605 1
1 759 . 43 1 1 A 66 66 ARG HA H 126 4.270 4.395 -0.125 1
1 764 . 43 1 1 A 66 66 ARG C C 126 176.210 176.824 -0.614 1
1 765 . 43 1 1 A 66 66 ARG CA C 126 56.190 54.964 1.226 1
1 766 . 43 1 1 A 66 66 ARG CB C 126 30.810 28.434 2.376 1
1 769 . 43 1 1 A 66 66 ARG N N 126 122.760 121.368 1.392 1
1 770 . 43 1 1 A 67 67 LYS H H 127 8.270 7.838 0.432 1
1 771 . 43 1 1 A 67 67 LYS HA H 127 4.260 4.401 -0.141 1
1 776 . 43 1 1 A 67 67 LYS C C 127 176.450 176.172 0.278 1
1 777 . 43 1 1 A 67 67 LYS CA C 127 56.320 56.229 0.091 1
1 778 . 43 1 1 A 67 67 LYS CB C 127 33.180 33.989 -0.809 1
1 782 . 43 1 1 A 67 67 LYS N N 127 123.620 123.915 -0.295 1
1 783 . 43 1 1 A 68 68 ARG H H 128 8.340 7.844 0.496 1
1 784 . 43 1 1 A 68 68 ARG HA H 128 4.270 4.737 -0.467 1
1 788 . 43 1 1 A 68 68 ARG C C 128 176.250 175.608 0.642 1
1 789 . 43 1 1 A 68 68 ARG CA C 128 56.130 54.406 1.724 1
1 790 . 43 1 1 A 68 68 ARG CB C 128 31.060 33.181 -2.121 1
1 793 . 43 1 1 A 68 68 ARG N N 128 123.750 118.660 5.090 1
1 794 . 43 1 1 A 69 69 LYS H H 129 8.450 8.664 -0.214 1
1 795 . 43 1 1 A 69 69 LYS HA H 129 4.250 4.689 -0.439 1
1 800 . 43 1 1 A 69 69 LYS C C 129 177.010 176.113 0.897 1
1 801 . 43 1 1 A 69 69 LYS CA C 129 57.000 56.557 0.443 1
1 802 . 43 1 1 A 69 69 LYS CB C 129 32.940 34.703 -1.763 1
1 806 . 43 1 1 A 69 69 LYS N N 129 124.580 117.884 6.696 1
1 807 . 43 1 1 A 70 70 GLY H H 130 8.500 7.308 1.192 1
1 808 . 43 1 1 A 70 70 GLY HA2 H 130 3.910 4.055 -0.145 1
1 809 . 43 1 1 A 70 70 GLY HA3 H 130 4.010 4.055 -0.045 1
1 810 . 43 1 1 A 70 70 GLY C C 130 173.360 173.935 -0.575 1
1 811 . 43 1 1 A 70 70 GLY CA C 130 45.370 44.674 0.696 1
1 812 . 43 1 1 A 70 70 GLY N N 130 112.470 107.555 4.915 1
1 6 . 44 1 1 A 2 2 ASN HA H 62 4.610 4.930 -0.320 1
1 10 . 44 1 1 A 2 2 ASN C C 62 174.760 174.968 -0.208 1
1 11 . 44 1 1 A 2 2 ASN CA C 62 53.100 52.363 0.737 1
1 12 . 44 1 1 A 2 2 ASN CB C 62 38.790 39.089 -0.299 1
1 14 . 44 1 1 A 3 3 ALA H H 63 8.300 7.783 0.517 1
1 15 . 44 1 1 A 3 3 ALA HA H 63 4.200 4.331 -0.131 1
1 19 . 44 1 1 A 3 3 ALA C C 63 178.180 176.715 1.465 1
1 20 . 44 1 1 A 3 3 ALA CA C 63 53.070 51.435 1.635 1
1 21 . 44 1 1 A 3 3 ALA CB C 63 18.960 19.509 -0.549 1
1 22 . 44 1 1 A 3 3 ALA N N 63 125.390 122.499 2.891 1
1 23 . 44 1 1 A 4 4 GLY H H 64 8.340 7.388 0.952 1
1 24 . 44 1 1 A 4 4 GLY HA2 H 64 3.800 4.092 -0.292 1
1 25 . 44 1 1 A 4 4 GLY HA3 H 64 3.860 4.098 -0.238 1
1 26 . 44 1 1 A 4 4 GLY C C 64 174.010 173.850 0.160 1
1 27 . 44 1 1 A 4 4 GLY CA C 64 45.350 45.651 -0.301 1
1 28 . 44 1 1 A 4 4 GLY N N 64 109.300 105.357 3.943 1
1 29 . 44 1 1 A 5 5 GLN H H 65 7.950 7.648 0.302 1
1 30 . 44 1 1 A 5 5 GLN HA H 65 4.330 4.652 -0.322 1
1 35 . 44 1 1 A 5 5 GLN C C 65 175.560 174.897 0.663 1
1 36 . 44 1 1 A 5 5 GLN CA C 65 55.400 55.183 0.217 1
1 37 . 44 1 1 A 5 5 GLN CB C 65 29.860 30.767 -0.907 1
1 39 . 44 1 1 A 5 5 GLN N N 65 119.540 118.572 0.968 1
1 41 . 44 1 1 A 6 6 LEU H H 66 8.740 8.747 -0.007 1
1 42 . 44 1 1 A 6 6 LEU HA H 66 4.610 5.093 -0.483 1
1 52 . 44 1 1 A 6 6 LEU C C 66 175.750 175.617 0.133 1
1 53 . 44 1 1 A 6 6 LEU CA C 66 54.010 53.067 0.943 1
1 54 . 44 1 1 A 6 6 LEU CB C 66 43.490 45.091 -1.601 1
1 58 . 44 1 1 A 6 6 LEU N N 66 126.120 121.246 4.874 1
1 59 . 44 1 1 A 7 7 CYS H H 67 8.470 8.750 -0.280 1
1 60 . 44 1 1 A 7 7 CYS HA H 67 4.140 4.392 -0.252 1
1 63 . 44 1 1 A 7 7 CYS C C 67 175.320 176.258 -0.938 1
1 64 . 44 1 1 A 7 7 CYS CA C 67 60.780 59.977 0.803 1
1 65 . 44 1 1 A 7 7 CYS CB C 67 32.850 28.534 4.316 1
1 66 . 44 1 1 A 7 7 CYS N N 67 123.170 124.251 -1.081 1
1 67 . 44 1 1 A 8 8 CYS H H 68 8.170 8.769 -0.599 1
1 68 . 44 1 1 A 8 8 CYS HA H 68 4.280 4.652 -0.372 1
1 72 . 44 1 1 A 8 8 CYS C C 68 172.410 174.158 -1.748 1
1 73 . 44 1 1 A 8 8 CYS CA C 68 58.920 58.594 0.326 1
1 74 . 44 1 1 A 8 8 CYS CB C 68 28.920 27.584 1.336 1
1 75 . 44 1 1 A 8 8 CYS N N 68 124.700 122.553 2.147 1
1 76 . 44 1 1 A 9 9 LEU H H 69 8.180 7.188 0.992 1
1 77 . 44 1 1 A 9 9 LEU HA H 69 4.580 4.797 -0.217 1
1 87 . 44 1 1 A 9 9 LEU C C 69 176.770 175.501 1.269 1
1 88 . 44 1 1 A 9 9 LEU CA C 69 54.760 53.006 1.754 1
1 89 . 44 1 1 A 9 9 LEU CB C 69 43.150 44.825 -1.675 1
1 93 . 44 1 1 A 9 9 LEU N N 69 122.650 122.551 0.099 1
1 94 . 44 1 1 A 10 10 ARG H H 70 8.880 8.842 0.038 1
1 95 . 44 1 1 A 10 10 ARG HA H 70 4.770 5.163 -0.393 1
1 102 . 44 1 1 A 10 10 ARG C C 70 174.900 174.315 0.585 1
1 103 . 44 1 1 A 10 10 ARG CA C 70 54.710 54.382 0.328 1
1 104 . 44 1 1 A 10 10 ARG CB C 70 33.390 33.429 -0.039 1
1 107 . 44 1 1 A 10 10 ARG N N 70 117.650 121.437 -3.787 1
1 108 . 44 1 1 A 11 11 GLU H H 71 8.640 9.461 -0.821 1
1 109 . 44 1 1 A 11 11 GLU HA H 71 5.090 4.766 0.324 1
1 113 . 44 1 1 A 11 11 GLU C C 71 176.070 175.447 0.623 1
1 114 . 44 1 1 A 11 11 GLU CA C 71 54.270 55.085 -0.815 1
1 115 . 44 1 1 A 11 11 GLU CB C 71 32.460 31.155 1.305 1
1 117 . 44 1 1 A 11 11 GLU N N 71 123.910 124.156 -0.246 1
1 118 . 44 1 1 A 12 12 ASP H H 72 9.510 9.080 0.430 1
1 119 . 44 1 1 A 12 12 ASP HA H 72 4.270 4.374 -0.104 1
1 122 . 44 1 1 A 12 12 ASP C C 72 175.890 175.676 0.214 1
1 123 . 44 1 1 A 12 12 ASP CA C 72 55.880 55.239 0.641 1
1 124 . 44 1 1 A 12 12 ASP CB C 72 39.910 39.399 0.511 1
1 125 . 44 1 1 A 12 12 ASP N N 72 129.440 128.411 1.029 1
1 126 . 44 1 1 A 13 13 GLY H H 73 8.970 8.281 0.689 1
1 127 . 44 1 1 A 13 13 GLY HA2 H 73 3.520 3.931 -0.411 1
1 128 . 44 1 1 A 13 13 GLY HA3 H 73 4.200 3.934 0.266 1
1 129 . 44 1 1 A 13 13 GLY C C 73 173.960 173.949 0.011 1
1 130 . 44 1 1 A 13 13 GLY CA C 73 45.350 45.224 0.126 1
1 131 . 44 1 1 A 13 13 GLY N N 73 103.500 104.593 -1.093 1
1 132 . 44 1 1 A 14 14 GLU H H 74 7.660 7.580 0.080 1
1 133 . 44 1 1 A 14 14 GLU HA H 74 4.640 4.424 0.216 1
1 138 . 44 1 1 A 14 14 GLU C C 74 176.170 175.970 0.200 1
1 139 . 44 1 1 A 14 14 GLU CA C 74 54.460 55.942 -1.482 1
1 140 . 44 1 1 A 14 14 GLU CB C 74 32.050 30.490 1.560 1
1 142 . 44 1 1 A 14 14 GLU N N 74 121.330 120.579 0.751 1
1 143 . 44 1 1 A 15 15 ARG H H 75 9.000 8.593 0.407 1
1 144 . 44 1 1 A 15 15 ARG HA H 75 4.120 4.361 -0.241 1
1 150 . 44 1 1 A 15 15 ARG C C 75 175.230 175.935 -0.705 1
1 151 . 44 1 1 A 15 15 ARG CA C 75 56.640 54.941 1.699 1
1 152 . 44 1 1 A 15 15 ARG CB C 75 29.720 28.773 0.947 1
1 155 . 44 1 1 A 15 15 ARG N N 75 127.990 125.016 2.974 1
1 156 . 44 1 1 A 16 16 CYS H H 76 8.870 9.087 -0.217 1
1 157 . 44 1 1 A 16 16 CYS HA H 76 4.170 4.351 -0.181 1
1 160 . 44 1 1 A 16 16 CYS CA C 76 61.840 61.064 0.776 1
1 161 . 44 1 1 A 16 16 CYS CB C 76 31.150 27.896 3.254 1
1 162 . 44 1 1 A 16 16 CYS N N 76 131.840 124.638 7.202 1
1 163 . 44 1 1 A 17 17 GLY H H 77 8.530 7.877 0.653 1
1 164 . 44 1 1 A 17 17 GLY HA2 H 77 3.680 3.988 -0.308 1
1 165 . 44 1 1 A 17 17 GLY HA3 H 77 4.340 4.007 0.333 1
1 166 . 44 1 1 A 17 17 GLY C C 77 174.620 173.540 1.080 1
1 167 . 44 1 1 A 17 17 GLY CA C 77 45.110 44.955 0.155 1
1 168 . 44 1 1 A 17 17 GLY N N 77 111.930 108.353 3.577 1
1 169 . 44 1 1 A 18 18 ARG H H 78 8.960 7.762 1.198 1
1 170 . 44 1 1 A 18 18 ARG HA H 78 4.290 4.608 -0.318 1
1 177 . 44 1 1 A 18 18 ARG C C 78 175.270 175.877 -0.607 1
1 178 . 44 1 1 A 18 18 ARG CA C 78 56.350 54.347 2.003 1
1 179 . 44 1 1 A 18 18 ARG CB C 78 31.310 32.532 -1.222 1
1 182 . 44 1 1 A 18 18 ARG N N 78 124.390 121.753 2.637 1
1 183 . 44 1 1 A 19 19 ALA H H 79 8.340 8.559 -0.219 1
1 184 . 44 1 1 A 19 19 ALA HA H 79 4.170 4.639 -0.469 1
1 188 . 44 1 1 A 19 19 ALA C C 79 177.620 177.396 0.224 1
1 189 . 44 1 1 A 19 19 ALA CA C 79 52.710 52.226 0.484 1
1 190 . 44 1 1 A 19 19 ALA CB C 79 18.710 19.191 -0.481 1
1 191 . 44 1 1 A 19 19 ALA N N 79 123.880 127.480 -3.600 1
1 192 . 44 1 1 A 20 20 ALA H H 80 8.470 8.929 -0.459 1
1 193 . 44 1 1 A 20 20 ALA HA H 80 3.540 4.582 -1.042 1
1 197 . 44 1 1 A 20 20 ALA C C 80 177.560 177.759 -0.199 1
1 198 . 44 1 1 A 20 20 ALA CA C 80 52.840 51.827 1.013 1
1 199 . 44 1 1 A 20 20 ALA CB C 80 19.050 20.098 -1.048 1
1 200 . 44 1 1 A 20 20 ALA N N 80 124.580 122.770 1.810 1
1 201 . 44 1 1 A 21 21 GLY H H 81 8.090 9.142 -1.052 1
1 202 . 44 1 1 A 21 21 GLY HA2 H 81 3.800 4.148 -0.348 1
1 203 . 44 1 1 A 21 21 GLY HA3 H 81 4.430 4.184 0.246 1
1 204 . 44 1 1 A 21 21 GLY C C 81 173.170 174.299 -1.129 1
1 205 . 44 1 1 A 21 21 GLY CA C 81 44.390 44.540 -0.150 1
1 206 . 44 1 1 A 21 21 GLY N N 81 114.000 106.403 7.597 1
1 207 . 44 1 1 A 22 22 ASN H H 82 8.690 8.765 -0.075 1
1 208 . 44 1 1 A 22 22 ASN HA H 82 4.650 4.757 -0.107 1
1 213 . 44 1 1 A 22 22 ASN C C 82 176.260 175.633 0.627 1
1 214 . 44 1 1 A 22 22 ASN CA C 82 53.580 53.138 0.442 1
1 215 . 44 1 1 A 22 22 ASN CB C 82 39.580 39.723 -0.143 1
1 216 . 44 1 1 A 22 22 ASN N N 82 118.160 122.323 -4.163 1
1 218 . 44 1 1 A 23 23 ALA H H 83 8.720 7.510 1.210 1
1 219 . 44 1 1 A 23 23 ALA HA H 83 4.570 4.455 0.115 1
1 223 . 44 1 1 A 23 23 ALA C C 83 175.910 176.326 -0.416 1
1 224 . 44 1 1 A 23 23 ALA CA C 83 52.340 52.161 0.179 1
1 225 . 44 1 1 A 23 23 ALA CB C 83 19.370 19.980 -0.610 1
1 226 . 44 1 1 A 23 23 ALA N N 83 125.180 121.902 3.278 1
1 227 . 44 1 1 A 24 24 SER H H 84 7.970 8.732 -0.762 1
1 228 . 44 1 1 A 24 24 SER HA H 84 5.310 5.094 0.216 1
1 230 . 44 1 1 A 24 24 SER C C 84 174.620 172.419 2.201 1
1 231 . 44 1 1 A 24 24 SER CA C 84 56.550 57.267 -0.717 1
1 232 . 44 1 1 A 24 24 SER CB C 84 66.420 66.201 0.219 1
1 233 . 44 1 1 A 24 24 SER N N 84 112.840 110.385 2.455 1
1 234 . 44 1 1 A 25 25 PHE H H 85 9.580 8.889 0.691 1
1 235 . 44 1 1 A 25 25 PHE HA H 85 4.320 4.765 -0.445 1
1 241 . 44 1 1 A 25 25 PHE C C 85 173.430 174.771 -1.341 1
1 242 . 44 1 1 A 25 25 PHE CA C 85 57.780 59.232 -1.452 1
1 243 . 44 1 1 A 25 25 PHE CB C 85 38.780 40.074 -1.294 1
1 247 . 44 1 1 A 25 25 PHE N N 85 125.520 125.271 0.249 1
1 248 . 44 1 1 A 26 26 SER H H 86 6.780 8.018 -1.238 1
1 249 . 44 1 1 A 26 26 SER HA H 86 4.430 4.681 -0.251 1
1 252 . 44 1 1 A 26 26 SER C C 86 174.200 174.342 -0.142 1
1 253 . 44 1 1 A 26 26 SER CA C 86 56.610 56.315 0.295 1
1 254 . 44 1 1 A 26 26 SER CB C 86 66.010 65.587 0.423 1
1 255 . 44 1 1 A 26 26 SER N N 86 118.860 119.210 -0.350 1
1 256 . 44 1 1 A 27 27 LYS H H 87 8.710 8.674 0.036 1
1 257 . 44 1 1 A 27 27 LYS HA H 87 3.850 3.854 -0.004 1
1 263 . 44 1 1 A 27 27 LYS C C 87 178.490 178.860 -0.370 1
1 264 . 44 1 1 A 27 27 LYS CA C 87 59.390 59.070 0.320 1
1 265 . 44 1 1 A 27 27 LYS CB C 87 31.970 32.050 -0.080 1
1 269 . 44 1 1 A 27 27 LYS N N 87 121.790 118.009 3.781 1
1 270 . 44 1 1 A 28 28 ARG H H 88 8.010 7.727 0.283 1
1 271 . 44 1 1 A 28 28 ARG HA H 88 3.990 4.015 -0.025 1
1 277 . 44 1 1 A 28 28 ARG C C 88 178.890 178.743 0.147 1
1 278 . 44 1 1 A 28 28 ARG CA C 88 59.010 58.560 0.450 1
1 279 . 44 1 1 A 28 28 ARG CB C 88 30.120 29.735 0.385 1
1 282 . 44 1 1 A 28 28 ARG N N 88 119.520 119.287 0.233 1
1 283 . 44 1 1 A 29 29 ILE H H 89 7.350 7.590 -0.240 1
1 284 . 44 1 1 A 29 29 ILE HA H 89 3.680 3.655 0.025 1
1 294 . 44 1 1 A 29 29 ILE C C 89 177.620 177.806 -0.186 1
1 295 . 44 1 1 A 29 29 ILE CA C 89 63.170 65.037 -1.867 1
1 296 . 44 1 1 A 29 29 ILE CB C 89 36.900 36.874 0.026 1
1 300 . 44 1 1 A 29 29 ILE N N 89 121.980 119.943 2.037 1
1 301 . 44 1 1 A 30 30 GLN H H 90 7.990 7.557 0.433 1
1 302 . 44 1 1 A 30 30 GLN HA H 90 3.630 4.001 -0.371 1
1 308 . 44 1 1 A 30 30 GLN C C 90 178.320 178.498 -0.178 1
1 309 . 44 1 1 A 30 30 GLN CA C 90 59.200 59.204 -0.004 1
1 310 . 44 1 1 A 30 30 GLN CB C 90 28.700 28.066 0.634 1
1 312 . 44 1 1 A 30 30 GLN N N 90 121.020 120.675 0.345 1
1 314 . 44 1 1 A 31 31 LYS H H 91 7.990 8.180 -0.190 1
1 315 . 44 1 1 A 31 31 LYS HA H 91 4.090 4.088 0.002 1
1 321 . 44 1 1 A 31 31 LYS C C 91 178.650 178.735 -0.085 1
1 322 . 44 1 1 A 31 31 LYS CA C 91 58.720 59.367 -0.647 1
1 323 . 44 1 1 A 31 31 LYS CB C 91 32.220 32.197 0.023 1
1 327 . 44 1 1 A 31 31 LYS N N 91 119.520 120.291 -0.771 1
1 328 . 44 1 1 A 32 32 SER H H 92 7.770 8.286 -0.516 1
1 329 . 44 1 1 A 32 32 SER HA H 92 4.320 4.099 0.221 1
1 332 . 44 1 1 A 32 32 SER C C 92 176.110 176.179 -0.069 1
1 333 . 44 1 1 A 32 32 SER CA C 92 61.260 62.375 -1.115 1
1 334 . 44 1 1 A 32 32 SER CB C 92 63.610 62.867 0.743 1
1 335 . 44 1 1 A 32 32 SER N N 92 116.310 115.952 0.358 1
1 336 . 44 1 1 A 33 33 ILE H H 93 7.960 7.884 0.076 1
1 337 . 44 1 1 A 33 33 ILE HA H 93 3.920 3.513 0.407 1
1 347 . 44 1 1 A 33 33 ILE C C 93 177.480 177.753 -0.273 1
1 348 . 44 1 1 A 33 33 ILE CA C 93 63.610 65.158 -1.548 1
1 349 . 44 1 1 A 33 33 ILE CB C 93 38.330 37.809 0.521 1
1 353 . 44 1 1 A 33 33 ILE N N 93 119.950 121.967 -2.017 1
1 354 . 44 1 1 A 34 34 SER H H 94 7.970 8.163 -0.193 1
1 355 . 44 1 1 A 34 34 SER HA H 94 4.390 4.017 0.373 1
1 357 . 44 1 1 A 34 34 SER C C 94 176.490 176.104 0.386 1
1 358 . 44 1 1 A 34 34 SER CA C 94 60.560 62.030 -1.470 1
1 359 . 44 1 1 A 34 34 SER CB C 94 63.130 62.692 0.438 1
1 360 . 44 1 1 A 34 34 SER N N 94 117.230 116.314 0.916 1
1 361 . 44 1 1 A 35 35 GLN H H 95 8.220 8.110 0.110 1
1 362 . 44 1 1 A 35 35 GLN HA H 95 4.260 3.981 0.279 1
1 369 . 44 1 1 A 35 35 GLN C C 95 177.050 178.351 -1.301 1
1 370 . 44 1 1 A 35 35 GLN CA C 95 57.360 59.219 -1.859 1
1 371 . 44 1 1 A 35 35 GLN CB C 95 28.900 28.372 0.528 1
1 373 . 44 1 1 A 35 35 GLN N N 95 121.530 120.939 0.591 1
1 375 . 44 1 1 A 36 36 LYS H H 96 7.870 7.673 0.197 1
1 376 . 44 1 1 A 36 36 LYS HA H 96 4.280 4.088 0.192 1
1 383 . 44 1 1 A 36 36 LYS C C 96 176.160 176.455 -0.295 1
1 384 . 44 1 1 A 36 36 LYS CA C 96 56.570 59.245 -2.675 1
1 385 . 44 1 1 A 36 36 LYS CB C 96 33.600 32.760 0.840 1
1 389 . 44 1 1 A 36 36 LYS N N 96 118.550 117.823 0.727 1
1 390 . 44 1 1 A 37 37 LYS H H 97 8.110 8.783 -0.673 1
1 391 . 44 1 1 A 37 37 LYS HA H 97 4.110 3.955 0.155 1
1 396 . 44 1 1 A 37 37 LYS C C 97 176.210 175.379 0.831 1
1 397 . 44 1 1 A 37 37 LYS CA C 97 57.230 56.953 0.277 1
1 398 . 44 1 1 A 37 37 LYS CB C 97 30.580 30.325 0.255 1
1 402 . 44 1 1 A 37 37 LYS N N 97 117.680 116.743 0.937 1
1 403 . 44 1 1 A 38 38 VAL H H 98 7.430 7.821 -0.391 1
1 404 . 44 1 1 A 38 38 VAL HA H 98 4.350 4.886 -0.536 1
1 412 . 44 1 1 A 38 38 VAL C C 98 175.830 174.593 1.237 1
1 413 . 44 1 1 A 38 38 VAL CA C 98 60.580 58.692 1.888 1
1 414 . 44 1 1 A 38 38 VAL CB C 98 33.410 35.583 -2.173 1
1 417 . 44 1 1 A 38 38 VAL N N 98 115.860 115.438 0.422 1
1 418 . 44 1 1 A 39 39 LYS H H 99 8.960 8.344 0.616 1
1 419 . 44 1 1 A 39 39 LYS HA H 99 4.430 4.392 0.038 1
1 425 . 44 1 1 A 39 39 LYS C C 99 175.700 174.816 0.884 1
1 426 . 44 1 1 A 39 39 LYS CA C 99 55.420 56.154 -0.734 1
1 427 . 44 1 1 A 39 39 LYS CB C 99 30.580 30.699 -0.119 1
1 431 . 44 1 1 A 39 39 LYS N N 99 127.710 120.918 6.792 1
1 432 . 44 1 1 A 40 40 ILE H H 100 7.660 7.722 -0.062 1
1 433 . 44 1 1 A 40 40 ILE HA H 100 5.020 5.039 -0.019 1
1 443 . 44 1 1 A 40 40 ILE C C 100 174.520 174.985 -0.465 1
1 444 . 44 1 1 A 40 40 ILE CA C 100 59.370 60.605 -1.235 1
1 445 . 44 1 1 A 40 40 ILE CB C 100 40.650 39.838 0.812 1
1 449 . 44 1 1 A 40 40 ILE N N 100 123.140 122.937 0.203 1
1 450 . 44 1 1 A 41 41 GLU H H 101 8.490 8.994 -0.504 1
1 451 . 44 1 1 A 41 41 GLU HA H 101 4.620 4.970 -0.350 1
1 456 . 44 1 1 A 41 41 GLU C C 101 173.590 174.788 -1.198 1
1 457 . 44 1 1 A 41 41 GLU CA C 101 53.740 54.332 -0.592 1
1 458 . 44 1 1 A 41 41 GLU CB C 101 34.580 33.373 1.207 1
1 460 . 44 1 1 A 41 41 GLU N N 101 123.460 124.540 -1.080 1
1 461 . 44 1 1 A 42 42 LEU H H 102 8.490 8.290 0.200 1
1 462 . 44 1 1 A 42 42 LEU HA H 102 3.790 4.453 -0.663 1
1 472 . 44 1 1 A 42 42 LEU C C 102 176.440 175.973 0.467 1
1 473 . 44 1 1 A 42 42 LEU CA C 102 55.190 54.352 0.838 1
1 474 . 44 1 1 A 42 42 LEU CB C 102 43.100 43.496 -0.396 1
1 478 . 44 1 1 A 42 42 LEU N N 102 123.470 124.148 -0.678 1
1 479 . 44 1 1 A 43 43 ASP H H 103 8.770 8.532 0.238 1
1 480 . 44 1 1 A 43 43 ASP HA H 103 4.520 4.612 -0.092 1
1 483 . 44 1 1 A 43 43 ASP C C 103 177.600 176.326 1.274 1
1 484 . 44 1 1 A 43 43 ASP CA C 103 53.740 54.510 -0.770 1
1 485 . 44 1 1 A 43 43 ASP CB C 103 41.880 42.485 -0.605 1
1 486 . 44 1 1 A 43 43 ASP N N 103 127.210 125.943 1.267 1
1 487 . 44 1 1 A 44 44 LYS H H 104 8.910 9.184 -0.274 1
1 488 . 44 1 1 A 44 44 LYS HA H 104 3.920 4.277 -0.357 1
1 495 . 44 1 1 A 44 44 LYS C C 104 177.340 177.579 -0.239 1
1 496 . 44 1 1 A 44 44 LYS CA C 104 58.930 56.666 2.264 1
1 497 . 44 1 1 A 44 44 LYS CB C 104 32.000 32.671 -0.671 1
1 501 . 44 1 1 A 44 44 LYS N N 104 129.080 126.827 2.253 1
1 502 . 44 1 1 A 45 45 SER H H 105 8.740 7.610 1.130 1
1 503 . 44 1 1 A 45 45 SER HA H 105 4.370 4.470 -0.100 1
1 506 . 44 1 1 A 45 45 SER C C 105 175.040 175.025 0.015 1
1 507 . 44 1 1 A 45 45 SER CA C 105 59.150 58.508 0.642 1
1 508 . 44 1 1 A 45 45 SER CB C 105 63.830 63.883 -0.053 1
1 509 . 44 1 1 A 45 45 SER N N 105 115.270 112.217 3.053 1
1 510 . 44 1 1 A 46 46 ALA H H 106 7.430 7.460 -0.030 1
1 511 . 44 1 1 A 46 46 ALA HA H 106 4.150 4.289 -0.139 1
1 515 . 44 1 1 A 46 46 ALA CA C 106 53.300 51.228 2.072 1
1 516 . 44 1 1 A 46 46 ALA CB C 106 19.190 19.614 -0.424 1
1 517 . 44 1 1 A 46 46 ALA N N 106 125.120 125.984 -0.864 1
1 518 . 44 1 1 A 47 47 ARG HA H 107 4.280 4.471 -0.191 1
1 526 . 44 1 1 A 48 48 HIS HA H 108 4.650 4.618 0.032 1
1 531 . 44 1 1 A 48 48 HIS C C 108 173.160 174.366 -1.206 1
1 532 . 44 1 1 A 48 48 HIS CA C 108 54.990 54.691 0.299 1
1 533 . 44 1 1 A 48 48 HIS CB C 108 33.400 32.095 1.305 1
1 538 . 44 1 1 A 49 49 LEU H H 109 8.030 8.634 -0.604 1
1 539 . 44 1 1 A 49 49 LEU HA H 109 5.040 4.608 0.432 1
1 549 . 44 1 1 A 49 49 LEU CA C 109 54.480 53.634 0.846 1
1 550 . 44 1 1 A 49 49 LEU CB C 109 43.010 42.543 0.467 1
1 554 . 44 1 1 A 49 49 LEU N N 109 120.130 119.639 0.491 1
1 555 . 44 1 1 A 50 50 TYR HA H 110 5.020 5.137 -0.117 1
1 560 . 44 1 1 A 50 50 TYR C C 110 176.960 175.637 1.323 1
1 561 . 44 1 1 A 50 50 TYR CA C 110 60.340 56.764 3.576 1
1 562 . 44 1 1 A 50 50 TYR CB C 110 39.210 42.049 -2.839 1
1 565 . 44 1 1 A 51 51 ILE H H 111 8.510 8.982 -0.472 1
1 566 . 44 1 1 A 51 51 ILE HA H 111 5.960 5.100 0.860 1
1 576 . 44 1 1 A 51 51 ILE C C 111 177.900 175.423 2.477 1
1 577 . 44 1 1 A 51 51 ILE CA C 111 58.100 59.153 -1.053 1
1 578 . 44 1 1 A 51 51 ILE CB C 111 41.370 40.610 0.760 1
1 582 . 44 1 1 A 51 51 ILE N N 111 115.050 117.848 -2.798 1
1 583 . 44 1 1 A 52 52 CYS H H 112 9.830 8.674 1.156 1
1 584 . 44 1 1 A 52 52 CYS HA H 112 5.000 5.022 -0.022 1
1 587 . 44 1 1 A 52 52 CYS C C 112 175.420 175.751 -0.331 1
1 588 . 44 1 1 A 52 52 CYS CA C 112 57.770 56.985 0.785 1
1 589 . 44 1 1 A 52 52 CYS CB C 112 33.120 30.301 2.819 1
1 590 . 44 1 1 A 52 52 CYS N N 112 125.820 121.331 4.489 1
1 591 . 44 1 1 A 53 53 ASP H H 113 9.000 8.988 0.012 1
1 592 . 44 1 1 A 53 53 ASP HA H 113 4.510 4.316 0.194 1
1 594 . 44 1 1 A 53 53 ASP C C 113 178.140 178.093 0.047 1
1 595 . 44 1 1 A 53 53 ASP CA C 113 57.330 57.511 -0.181 1
1 596 . 44 1 1 A 53 53 ASP CB C 113 39.730 40.354 -0.624 1
1 597 . 44 1 1 A 53 53 ASP N N 113 121.960 121.132 0.828 1
1 598 . 44 1 1 A 54 54 TYR H H 114 8.220 8.088 0.132 1
1 599 . 44 1 1 A 54 54 TYR HA H 114 4.100 4.218 -0.118 1
1 604 . 44 1 1 A 54 54 TYR C C 114 178.410 177.302 1.108 1
1 605 . 44 1 1 A 54 54 TYR CA C 114 61.970 61.675 0.295 1
1 606 . 44 1 1 A 54 54 TYR CB C 114 37.150 39.312 -2.162 1
1 609 . 44 1 1 A 54 54 TYR N N 114 123.510 122.481 1.029 1
1 610 . 44 1 1 A 55 55 HIS H H 115 10.090 7.769 2.321 1
1 611 . 44 1 1 A 55 55 HIS HA H 115 4.040 4.076 -0.036 1
1 616 . 44 1 1 A 55 55 HIS C C 115 177.240 177.525 -0.285 1
1 617 . 44 1 1 A 55 55 HIS CA C 115 63.870 59.821 4.049 1
1 618 . 44 1 1 A 55 55 HIS CB C 115 29.600 29.832 -0.232 1
1 621 . 44 1 1 A 55 55 HIS N N 115 124.830 116.870 7.960 1
1 624 . 44 1 1 A 56 56 LYS H H 116 8.830 8.440 0.390 1
1 625 . 44 1 1 A 56 56 LYS HA H 116 3.720 3.862 -0.142 1
1 633 . 44 1 1 A 56 56 LYS C C 116 178.140 178.943 -0.803 1
1 634 . 44 1 1 A 56 56 LYS CA C 116 60.590 59.978 0.612 1
1 635 . 44 1 1 A 56 56 LYS CB C 116 32.230 32.480 -0.250 1
1 639 . 44 1 1 A 56 56 LYS N N 116 123.340 120.675 2.665 1
1 640 . 44 1 1 A 57 57 ASN H H 117 8.140 8.240 -0.100 1
1 641 . 44 1 1 A 57 57 ASN HA H 117 4.340 4.507 -0.167 1
1 646 . 44 1 1 A 57 57 ASN C C 117 177.570 177.474 0.096 1
1 647 . 44 1 1 A 57 57 ASN CA C 117 55.890 56.194 -0.304 1
1 648 . 44 1 1 A 57 57 ASN CB C 117 38.070 38.737 -0.667 1
1 649 . 44 1 1 A 57 57 ASN N N 117 116.920 118.314 -1.394 1
1 651 . 44 1 1 A 58 58 LEU H H 118 7.890 7.703 0.187 1
1 652 . 44 1 1 A 58 58 LEU HA H 118 3.930 3.963 -0.033 1
1 662 . 44 1 1 A 58 58 LEU C C 118 179.400 178.788 0.612 1
1 663 . 44 1 1 A 58 58 LEU CA C 118 58.420 58.109 0.311 1
1 664 . 44 1 1 A 58 58 LEU CB C 118 43.170 41.605 1.565 1
1 668 . 44 1 1 A 58 58 LEU N N 118 123.590 120.025 3.565 1
1 669 . 44 1 1 A 59 59 ILE H H 119 8.360 8.041 0.319 1
1 670 . 44 1 1 A 59 59 ILE HA H 119 3.470 3.896 -0.426 1
1 680 . 44 1 1 A 59 59 ILE C C 119 177.290 178.301 -1.011 1
1 681 . 44 1 1 A 59 59 ILE CA C 119 65.260 64.082 1.178 1
1 682 . 44 1 1 A 59 59 ILE CB C 119 38.330 37.506 0.824 1
1 686 . 44 1 1 A 59 59 ILE N N 119 118.630 119.199 -0.569 1
1 687 . 44 1 1 A 60 60 GLN H H 120 7.830 8.373 -0.543 1
1 688 . 44 1 1 A 60 60 GLN HA H 120 4.130 4.077 0.053 1
1 694 . 44 1 1 A 60 60 GLN C C 120 177.240 178.171 -0.931 1
1 695 . 44 1 1 A 60 60 GLN CA C 120 57.750 59.023 -1.273 1
1 696 . 44 1 1 A 60 60 GLN CB C 120 28.910 28.505 0.405 1
1 698 . 44 1 1 A 60 60 GLN N N 120 117.840 119.654 -1.814 1
1 700 . 44 1 1 A 61 61 SER H H 121 7.790 7.830 -0.040 1
1 701 . 44 1 1 A 61 61 SER HA H 121 4.300 4.314 -0.014 1
1 703 . 44 1 1 A 61 61 SER C C 121 175.650 175.446 0.204 1
1 704 . 44 1 1 A 61 61 SER CA C 121 60.090 61.115 -1.025 1
1 705 . 44 1 1 A 61 61 SER CB C 121 63.570 63.241 0.329 1
1 706 . 44 1 1 A 61 61 SER N N 121 115.460 116.941 -1.481 1
1 707 . 44 1 1 A 62 62 VAL H H 122 8.020 7.851 0.169 1
1 708 . 44 1 1 A 62 62 VAL HA H 122 4.020 3.664 0.356 1
1 716 . 44 1 1 A 62 62 VAL C C 122 176.960 176.257 0.703 1
1 717 . 44 1 1 A 62 62 VAL CA C 122 63.600 66.529 -2.929 1
1 718 . 44 1 1 A 62 62 VAL CB C 122 32.300 31.197 1.103 1
1 721 . 44 1 1 A 62 62 VAL N N 122 121.600 121.135 0.465 1
1 722 . 44 1 1 A 63 63 ARG H H 123 8.130 7.444 0.686 1
1 723 . 44 1 1 A 63 63 ARG HA H 123 4.190 4.394 -0.204 1
1 729 . 44 1 1 A 63 63 ARG C C 123 176.490 176.070 0.420 1
1 730 . 44 1 1 A 63 63 ARG CA C 123 57.070 55.487 1.583 1
1 731 . 44 1 1 A 63 63 ARG CB C 123 30.780 30.493 0.287 1
1 734 . 44 1 1 A 63 63 ARG N N 123 122.770 117.863 4.907 1
1 735 . 44 1 1 A 64 64 ASN H H 124 8.210 8.018 0.192 1
1 736 . 44 1 1 A 64 64 ASN HA H 124 4.650 4.918 -0.268 1
1 741 . 44 1 1 A 64 64 ASN C C 124 175.310 174.392 0.918 1
1 742 . 44 1 1 A 64 64 ASN CA C 124 53.500 52.529 0.971 1
1 743 . 44 1 1 A 64 64 ASN CB C 124 38.840 39.700 -0.860 1
1 744 . 44 1 1 A 64 64 ASN N N 124 119.350 119.262 0.088 1
1 746 . 44 1 1 A 65 65 ARG H H 125 8.100 7.776 0.324 1
1 747 . 44 1 1 A 65 65 ARG HA H 125 4.270 4.343 -0.073 1
1 752 . 44 1 1 A 65 65 ARG C C 125 176.310 174.679 1.631 1
1 753 . 44 1 1 A 65 65 ARG CA C 125 56.580 55.232 1.348 1
1 754 . 44 1 1 A 65 65 ARG CB C 125 30.810 28.645 2.165 1
1 757 . 44 1 1 A 65 65 ARG N N 125 122.230 121.733 0.497 1
1 758 . 44 1 1 A 66 66 ARG H H 126 8.260 7.896 0.364 1
1 759 . 44 1 1 A 66 66 ARG HA H 126 4.270 4.871 -0.601 1
1 764 . 44 1 1 A 66 66 ARG C C 126 176.210 175.594 0.616 1
1 765 . 44 1 1 A 66 66 ARG CA C 126 56.190 54.324 1.866 1
1 766 . 44 1 1 A 66 66 ARG CB C 126 30.810 32.712 -1.902 1
1 769 . 44 1 1 A 66 66 ARG N N 126 122.760 124.284 -1.524 1
1 770 . 44 1 1 A 67 67 LYS H H 127 8.270 9.016 -0.746 1
1 771 . 44 1 1 A 67 67 LYS HA H 127 4.260 4.582 -0.322 1
1 776 . 44 1 1 A 67 67 LYS C C 127 176.450 176.460 -0.010 1
1 777 . 44 1 1 A 67 67 LYS CA C 127 56.320 55.895 0.425 1
1 778 . 44 1 1 A 67 67 LYS CB C 127 33.180 34.627 -1.447 1
1 782 . 44 1 1 A 67 67 LYS N N 127 123.620 124.143 -0.523 1
1 783 . 44 1 1 A 68 68 ARG H H 128 8.340 7.656 0.684 1
1 784 . 44 1 1 A 68 68 ARG HA H 128 4.270 4.403 -0.133 1
1 788 . 44 1 1 A 68 68 ARG C C 128 176.250 175.888 0.362 1
1 789 . 44 1 1 A 68 68 ARG CA C 128 56.130 55.227 0.903 1
1 790 . 44 1 1 A 68 68 ARG CB C 128 31.060 29.955 1.105 1
1 793 . 44 1 1 A 68 68 ARG N N 128 123.750 121.736 2.014 1
1 794 . 44 1 1 A 69 69 LYS H H 129 8.450 8.604 -0.154 1
1 795 . 44 1 1 A 69 69 LYS HA H 129 4.250 4.258 -0.008 1
1 800 . 44 1 1 A 69 69 LYS C C 129 177.010 177.314 -0.304 1
1 801 . 44 1 1 A 69 69 LYS CA C 129 57.000 58.430 -1.430 1
1 802 . 44 1 1 A 69 69 LYS CB C 129 32.940 32.700 0.240 1
1 806 . 44 1 1 A 69 69 LYS N N 129 124.580 126.683 -2.103 1
1 807 . 44 1 1 A 70 70 GLY H H 130 8.500 7.764 0.736 1
1 808 . 44 1 1 A 70 70 GLY HA2 H 130 3.910 4.072 -0.162 1
1 809 . 44 1 1 A 70 70 GLY HA3 H 130 4.010 4.072 -0.062 1
1 810 . 44 1 1 A 70 70 GLY C C 130 173.360 172.853 0.507 1
1 811 . 44 1 1 A 70 70 GLY CA C 130 45.370 45.200 0.170 1
1 812 . 44 1 1 A 70 70 GLY N N 130 112.470 105.187 7.283 1
1 6 . 45 1 1 A 2 2 ASN HA H 62 4.610 4.225 0.385 1
1 10 . 45 1 1 A 2 2 ASN C C 62 174.760 174.887 -0.127 1
1 11 . 45 1 1 A 2 2 ASN CA C 62 53.100 54.500 -1.400 1
1 12 . 45 1 1 A 2 2 ASN CB C 62 38.790 36.896 1.894 1
1 14 . 45 1 1 A 3 3 ALA H H 63 8.300 7.929 0.371 1
1 15 . 45 1 1 A 3 3 ALA HA H 63 4.200 4.488 -0.288 1
1 19 . 45 1 1 A 3 3 ALA C C 63 178.180 177.690 0.490 1
1 20 . 45 1 1 A 3 3 ALA CA C 63 53.070 51.329 1.741 1
1 21 . 45 1 1 A 3 3 ALA CB C 63 18.960 20.567 -1.607 1
1 22 . 45 1 1 A 3 3 ALA N N 63 125.390 118.676 6.714 1
1 23 . 45 1 1 A 4 4 GLY H H 64 8.340 7.861 0.479 1
1 24 . 45 1 1 A 4 4 GLY HA2 H 64 3.800 3.989 -0.189 1
1 25 . 45 1 1 A 4 4 GLY HA3 H 64 3.860 3.999 -0.139 1
1 26 . 45 1 1 A 4 4 GLY C C 64 174.010 174.096 -0.086 1
1 27 . 45 1 1 A 4 4 GLY CA C 64 45.350 45.518 -0.168 1
1 28 . 45 1 1 A 4 4 GLY N N 64 109.300 105.676 3.624 1
1 29 . 45 1 1 A 5 5 GLN H H 65 7.950 7.568 0.382 1
1 30 . 45 1 1 A 5 5 GLN HA H 65 4.330 4.404 -0.074 1
1 35 . 45 1 1 A 5 5 GLN C C 65 175.560 175.120 0.440 1
1 36 . 45 1 1 A 5 5 GLN CA C 65 55.400 56.074 -0.674 1
1 37 . 45 1 1 A 5 5 GLN CB C 65 29.860 30.334 -0.474 1
1 39 . 45 1 1 A 5 5 GLN N N 65 119.540 119.871 -0.331 1
1 41 . 45 1 1 A 6 6 LEU H H 66 8.740 8.607 0.133 1
1 42 . 45 1 1 A 6 6 LEU HA H 66 4.610 5.038 -0.428 1
1 52 . 45 1 1 A 6 6 LEU C C 66 175.750 175.853 -0.103 1
1 53 . 45 1 1 A 6 6 LEU CA C 66 54.010 53.422 0.588 1
1 54 . 45 1 1 A 6 6 LEU CB C 66 43.490 44.162 -0.672 1
1 58 . 45 1 1 A 6 6 LEU N N 66 126.120 120.635 5.485 1
1 59 . 45 1 1 A 7 7 CYS H H 67 8.470 8.509 -0.039 1
1 60 . 45 1 1 A 7 7 CYS HA H 67 4.140 4.609 -0.469 1
1 63 . 45 1 1 A 7 7 CYS C C 67 175.320 176.603 -1.283 1
1 64 . 45 1 1 A 7 7 CYS CA C 67 60.780 59.723 1.057 1
1 65 . 45 1 1 A 7 7 CYS CB C 67 32.850 28.471 4.379 1
1 66 . 45 1 1 A 7 7 CYS N N 67 123.170 120.846 2.324 1
1 67 . 45 1 1 A 8 8 CYS H H 68 8.170 8.364 -0.194 1
1 68 . 45 1 1 A 8 8 CYS HA H 68 4.280 4.636 -0.356 1
1 72 . 45 1 1 A 8 8 CYS C C 68 172.410 174.080 -1.670 1
1 73 . 45 1 1 A 8 8 CYS CA C 68 58.920 58.874 0.046 1
1 74 . 45 1 1 A 8 8 CYS CB C 68 28.920 27.248 1.672 1
1 75 . 45 1 1 A 8 8 CYS N N 68 124.700 124.590 0.110 1
1 76 . 45 1 1 A 9 9 LEU H H 69 8.180 7.638 0.542 1
1 77 . 45 1 1 A 9 9 LEU HA H 69 4.580 4.816 -0.236 1
1 87 . 45 1 1 A 9 9 LEU C C 69 176.770 176.101 0.669 1
1 88 . 45 1 1 A 9 9 LEU CA C 69 54.760 53.646 1.114 1
1 89 . 45 1 1 A 9 9 LEU CB C 69 43.150 46.293 -3.143 1
1 93 . 45 1 1 A 9 9 LEU N N 69 122.650 122.135 0.515 1
1 94 . 45 1 1 A 10 10 ARG H H 70 8.880 8.681 0.199 1
1 95 . 45 1 1 A 10 10 ARG HA H 70 4.770 5.212 -0.442 1
1 102 . 45 1 1 A 10 10 ARG C C 70 174.900 174.413 0.487 1
1 103 . 45 1 1 A 10 10 ARG CA C 70 54.710 54.417 0.293 1
1 104 . 45 1 1 A 10 10 ARG CB C 70 33.390 32.094 1.296 1
1 107 . 45 1 1 A 10 10 ARG N N 70 117.650 120.748 -3.098 1
1 108 . 45 1 1 A 11 11 GLU H H 71 8.640 8.847 -0.207 1
1 109 . 45 1 1 A 11 11 GLU HA H 71 5.090 4.586 0.504 1
1 113 . 45 1 1 A 11 11 GLU C C 71 176.070 176.094 -0.024 1
1 114 . 45 1 1 A 11 11 GLU CA C 71 54.270 55.608 -1.338 1
1 115 . 45 1 1 A 11 11 GLU CB C 71 32.460 31.421 1.039 1
1 117 . 45 1 1 A 11 11 GLU N N 71 123.910 125.504 -1.594 1
1 118 . 45 1 1 A 12 12 ASP H H 72 9.510 9.016 0.494 1
1 119 . 45 1 1 A 12 12 ASP HA H 72 4.270 4.381 -0.111 1
1 122 . 45 1 1 A 12 12 ASP C C 72 175.890 176.167 -0.277 1
1 123 . 45 1 1 A 12 12 ASP CA C 72 55.880 55.345 0.535 1
1 124 . 45 1 1 A 12 12 ASP CB C 72 39.910 39.516 0.394 1
1 125 . 45 1 1 A 12 12 ASP N N 72 129.440 128.199 1.241 1
1 126 . 45 1 1 A 13 13 GLY H H 73 8.970 8.415 0.555 1
1 127 . 45 1 1 A 13 13 GLY HA2 H 73 3.520 3.854 -0.334 1
1 128 . 45 1 1 A 13 13 GLY HA3 H 73 4.200 3.856 0.344 1
1 129 . 45 1 1 A 13 13 GLY C C 73 173.960 173.884 0.076 1
1 130 . 45 1 1 A 13 13 GLY CA C 73 45.350 45.204 0.146 1
1 131 . 45 1 1 A 13 13 GLY N N 73 103.500 104.726 -1.226 1
1 132 . 45 1 1 A 14 14 GLU H H 74 7.660 8.116 -0.456 1
1 133 . 45 1 1 A 14 14 GLU HA H 74 4.640 4.410 0.230 1
1 138 . 45 1 1 A 14 14 GLU C C 74 176.170 176.318 -0.148 1
1 139 . 45 1 1 A 14 14 GLU CA C 74 54.460 56.065 -1.605 1
1 140 . 45 1 1 A 14 14 GLU CB C 74 32.050 30.450 1.600 1
1 142 . 45 1 1 A 14 14 GLU N N 74 121.330 120.426 0.904 1
1 143 . 45 1 1 A 15 15 ARG H H 75 9.000 8.707 0.293 1
1 144 . 45 1 1 A 15 15 ARG HA H 75 4.120 4.380 -0.260 1
1 150 . 45 1 1 A 15 15 ARG C C 75 175.230 175.967 -0.737 1
1 151 . 45 1 1 A 15 15 ARG CA C 75 56.640 55.194 1.446 1
1 152 . 45 1 1 A 15 15 ARG CB C 75 29.720 28.709 1.011 1
1 155 . 45 1 1 A 15 15 ARG N N 75 127.990 125.138 2.852 1
1 156 . 45 1 1 A 16 16 CYS H H 76 8.870 9.136 -0.266 1
1 157 . 45 1 1 A 16 16 CYS HA H 76 4.170 4.298 -0.128 1
1 160 . 45 1 1 A 16 16 CYS CA C 76 61.840 61.131 0.709 1
1 161 . 45 1 1 A 16 16 CYS CB C 76 31.150 28.059 3.091 1
1 162 . 45 1 1 A 16 16 CYS N N 76 131.840 117.539 14.301 1
1 163 . 45 1 1 A 17 17 GLY H H 77 8.530 8.530 0.000 1
1 164 . 45 1 1 A 17 17 GLY HA2 H 77 3.680 3.924 -0.244 1
1 165 . 45 1 1 A 17 17 GLY HA3 H 77 4.340 3.944 0.396 1
1 166 . 45 1 1 A 17 17 GLY C C 77 174.620 173.384 1.236 1
1 167 . 45 1 1 A 17 17 GLY CA C 77 45.110 45.138 -0.028 1
1 168 . 45 1 1 A 17 17 GLY N N 77 111.930 108.502 3.428 1
1 169 . 45 1 1 A 18 18 ARG H H 78 8.960 7.770 1.190 1
1 170 . 45 1 1 A 18 18 ARG HA H 78 4.290 4.566 -0.276 1
1 177 . 45 1 1 A 18 18 ARG C C 78 175.270 175.744 -0.474 1
1 178 . 45 1 1 A 18 18 ARG CA C 78 56.350 54.468 1.882 1
1 179 . 45 1 1 A 18 18 ARG CB C 78 31.310 32.191 -0.881 1
1 182 . 45 1 1 A 18 18 ARG N N 78 124.390 121.819 2.571 1
1 183 . 45 1 1 A 19 19 ALA H H 79 8.340 8.541 -0.201 1
1 184 . 45 1 1 A 19 19 ALA HA H 79 4.170 4.225 -0.055 1
1 188 . 45 1 1 A 19 19 ALA C C 79 177.620 177.418 0.202 1
1 189 . 45 1 1 A 19 19 ALA CA C 79 52.710 52.118 0.592 1
1 190 . 45 1 1 A 19 19 ALA CB C 79 18.710 19.179 -0.469 1
1 191 . 45 1 1 A 19 19 ALA N N 79 123.880 127.196 -3.316 1
1 192 . 45 1 1 A 20 20 ALA H H 80 8.470 8.512 -0.042 1
1 193 . 45 1 1 A 20 20 ALA HA H 80 3.540 4.566 -1.026 1
1 197 . 45 1 1 A 20 20 ALA C C 80 177.560 177.467 0.093 1
1 198 . 45 1 1 A 20 20 ALA CA C 80 52.840 51.809 1.031 1
1 199 . 45 1 1 A 20 20 ALA CB C 80 19.050 19.617 -0.567 1
1 200 . 45 1 1 A 20 20 ALA N N 80 124.580 122.579 2.001 1
1 201 . 45 1 1 A 21 21 GLY H H 81 8.090 8.679 -0.589 1
1 202 . 45 1 1 A 21 21 GLY HA2 H 81 3.800 4.109 -0.309 1
1 203 . 45 1 1 A 21 21 GLY HA3 H 81 4.430 4.142 0.288 1
1 204 . 45 1 1 A 21 21 GLY C C 81 173.170 174.682 -1.512 1
1 205 . 45 1 1 A 21 21 GLY CA C 81 44.390 44.620 -0.230 1
1 206 . 45 1 1 A 21 21 GLY N N 81 114.000 108.108 5.892 1
1 207 . 45 1 1 A 22 22 ASN H H 82 8.690 8.540 0.150 1
1 208 . 45 1 1 A 22 22 ASN HA H 82 4.650 4.963 -0.313 1
1 213 . 45 1 1 A 22 22 ASN C C 82 176.260 175.401 0.859 1
1 214 . 45 1 1 A 22 22 ASN CA C 82 53.580 53.512 0.068 1
1 215 . 45 1 1 A 22 22 ASN CB C 82 39.580 40.860 -1.280 1
1 216 . 45 1 1 A 22 22 ASN N N 82 118.160 122.323 -4.163 1
1 218 . 45 1 1 A 23 23 ALA H H 83 8.720 7.596 1.124 1
1 219 . 45 1 1 A 23 23 ALA HA H 83 4.570 4.373 0.197 1
1 223 . 45 1 1 A 23 23 ALA C C 83 175.910 177.284 -1.374 1
1 224 . 45 1 1 A 23 23 ALA CA C 83 52.340 52.696 -0.356 1
1 225 . 45 1 1 A 23 23 ALA CB C 83 19.370 19.801 -0.431 1
1 226 . 45 1 1 A 23 23 ALA N N 83 125.180 121.707 3.473 1
1 227 . 45 1 1 A 24 24 SER H H 84 7.970 8.671 -0.701 1
1 228 . 45 1 1 A 24 24 SER HA H 84 5.310 5.369 -0.059 1
1 230 . 45 1 1 A 24 24 SER C C 84 174.620 173.126 1.494 1
1 231 . 45 1 1 A 24 24 SER CA C 84 56.550 57.195 -0.645 1
1 232 . 45 1 1 A 24 24 SER CB C 84 66.420 66.006 0.414 1
1 233 . 45 1 1 A 24 24 SER N N 84 112.840 116.413 -3.573 1
1 234 . 45 1 1 A 25 25 PHE H H 85 9.580 8.562 1.018 1
1 235 . 45 1 1 A 25 25 PHE HA H 85 4.320 4.533 -0.213 1
1 241 . 45 1 1 A 25 25 PHE C C 85 173.430 174.762 -1.332 1
1 242 . 45 1 1 A 25 25 PHE CA C 85 57.780 59.801 -2.021 1
1 243 . 45 1 1 A 25 25 PHE CB C 85 38.780 39.641 -0.861 1
1 247 . 45 1 1 A 25 25 PHE N N 85 125.520 127.198 -1.678 1
1 248 . 45 1 1 A 26 26 SER H H 86 6.780 8.303 -1.523 1
1 249 . 45 1 1 A 26 26 SER HA H 86 4.430 4.725 -0.295 1
1 252 . 45 1 1 A 26 26 SER C C 86 174.200 173.945 0.255 1
1 253 . 45 1 1 A 26 26 SER CA C 86 56.610 57.038 -0.428 1
1 254 . 45 1 1 A 26 26 SER CB C 86 66.010 66.602 -0.592 1
1 255 . 45 1 1 A 26 26 SER N N 86 118.860 122.642 -3.782 1
1 256 . 45 1 1 A 27 27 LYS H H 87 8.710 8.790 -0.080 1
1 257 . 45 1 1 A 27 27 LYS HA H 87 3.850 3.802 0.048 1
1 263 . 45 1 1 A 27 27 LYS C C 87 178.490 178.792 -0.302 1
1 264 . 45 1 1 A 27 27 LYS CA C 87 59.390 59.432 -0.042 1
1 265 . 45 1 1 A 27 27 LYS CB C 87 31.970 32.788 -0.818 1
1 269 . 45 1 1 A 27 27 LYS N N 87 121.790 122.819 -1.029 1
1 270 . 45 1 1 A 28 28 ARG H H 88 8.010 7.726 0.284 1
1 271 . 45 1 1 A 28 28 ARG HA H 88 3.990 4.009 -0.019 1
1 277 . 45 1 1 A 28 28 ARG C C 88 178.890 178.791 0.099 1
1 278 . 45 1 1 A 28 28 ARG CA C 88 59.010 58.811 0.199 1
1 279 . 45 1 1 A 28 28 ARG CB C 88 30.120 29.709 0.411 1
1 282 . 45 1 1 A 28 28 ARG N N 88 119.520 119.717 -0.197 1
1 283 . 45 1 1 A 29 29 ILE H H 89 7.350 8.018 -0.668 1
1 284 . 45 1 1 A 29 29 ILE HA H 89 3.680 3.681 -0.001 1
1 294 . 45 1 1 A 29 29 ILE C C 89 177.620 178.380 -0.760 1
1 295 . 45 1 1 A 29 29 ILE CA C 89 63.170 64.973 -1.803 1
1 296 . 45 1 1 A 29 29 ILE CB C 89 36.900 37.368 -0.468 1
1 300 . 45 1 1 A 29 29 ILE N N 89 121.980 119.760 2.220 1
1 301 . 45 1 1 A 30 30 GLN H H 90 7.990 7.983 0.007 1
1 302 . 45 1 1 A 30 30 GLN HA H 90 3.630 3.931 -0.301 1
1 308 . 45 1 1 A 30 30 GLN C C 90 178.320 178.512 -0.192 1
1 309 . 45 1 1 A 30 30 GLN CA C 90 59.200 59.286 -0.086 1
1 310 . 45 1 1 A 30 30 GLN CB C 90 28.700 28.049 0.651 1
1 312 . 45 1 1 A 30 30 GLN N N 90 121.020 120.460 0.560 1
1 314 . 45 1 1 A 31 31 LYS H H 91 7.990 8.010 -0.020 1
1 315 . 45 1 1 A 31 31 LYS HA H 91 4.090 4.052 0.038 1
1 321 . 45 1 1 A 31 31 LYS C C 91 178.650 179.114 -0.464 1
1 322 . 45 1 1 A 31 31 LYS CA C 91 58.720 59.085 -0.365 1
1 323 . 45 1 1 A 31 31 LYS CB C 91 32.220 32.251 -0.031 1
1 327 . 45 1 1 A 31 31 LYS N N 91 119.520 119.712 -0.192 1
1 328 . 45 1 1 A 32 32 SER H H 92 7.770 8.089 -0.319 1
1 329 . 45 1 1 A 32 32 SER HA H 92 4.320 4.102 0.218 1
1 332 . 45 1 1 A 32 32 SER C C 92 176.110 176.140 -0.030 1
1 333 . 45 1 1 A 32 32 SER CA C 92 61.260 62.545 -1.285 1
1 334 . 45 1 1 A 32 32 SER CB C 92 63.610 63.105 0.505 1
1 335 . 45 1 1 A 32 32 SER N N 92 116.310 116.660 -0.350 1
1 336 . 45 1 1 A 33 33 ILE H H 93 7.960 8.018 -0.058 1
1 337 . 45 1 1 A 33 33 ILE HA H 93 3.920 3.793 0.127 1
1 347 . 45 1 1 A 33 33 ILE C C 93 177.480 178.727 -1.247 1
1 348 . 45 1 1 A 33 33 ILE CA C 93 63.610 65.243 -1.633 1
1 349 . 45 1 1 A 33 33 ILE CB C 93 38.330 37.372 0.958 1
1 353 . 45 1 1 A 33 33 ILE N N 93 119.950 121.980 -2.030 1
1 354 . 45 1 1 A 34 34 SER H H 94 7.970 8.266 -0.296 1
1 355 . 45 1 1 A 34 34 SER HA H 94 4.390 4.415 -0.025 1
1 357 . 45 1 1 A 34 34 SER C C 94 176.490 176.003 0.487 1
1 358 . 45 1 1 A 34 34 SER CA C 94 60.560 60.592 -0.032 1
1 359 . 45 1 1 A 34 34 SER CB C 94 63.130 63.395 -0.265 1
1 360 . 45 1 1 A 34 34 SER N N 94 117.230 117.270 -0.040 1
1 361 . 45 1 1 A 35 35 GLN H H 95 8.220 7.695 0.525 1
1 362 . 45 1 1 A 35 35 GLN HA H 95 4.260 4.087 0.173 1
1 369 . 45 1 1 A 35 35 GLN C C 95 177.050 178.423 -1.373 1
1 370 . 45 1 1 A 35 35 GLN CA C 95 57.360 58.403 -1.043 1
1 371 . 45 1 1 A 35 35 GLN CB C 95 28.900 28.353 0.547 1
1 373 . 45 1 1 A 35 35 GLN N N 95 121.530 120.457 1.073 1
1 375 . 45 1 1 A 36 36 LYS H H 96 7.870 7.732 0.138 1
1 376 . 45 1 1 A 36 36 LYS HA H 96 4.280 4.166 0.114 1
1 383 . 45 1 1 A 36 36 LYS C C 96 176.160 176.273 -0.113 1
1 384 . 45 1 1 A 36 36 LYS CA C 96 56.570 58.600 -2.030 1
1 385 . 45 1 1 A 36 36 LYS CB C 96 33.600 32.983 0.617 1
1 389 . 45 1 1 A 36 36 LYS N N 96 118.550 116.157 2.393 1
1 390 . 45 1 1 A 37 37 LYS H H 97 8.110 8.051 0.059 1
1 391 . 45 1 1 A 37 37 LYS HA H 97 4.110 3.816 0.294 1
1 396 . 45 1 1 A 37 37 LYS C C 97 176.210 175.188 1.022 1
1 397 . 45 1 1 A 37 37 LYS CA C 97 57.230 57.192 0.038 1
1 398 . 45 1 1 A 37 37 LYS CB C 97 30.580 30.007 0.573 1
1 402 . 45 1 1 A 37 37 LYS N N 97 117.680 116.961 0.719 1
1 403 . 45 1 1 A 38 38 VAL H H 98 7.430 7.787 -0.357 1
1 404 . 45 1 1 A 38 38 VAL HA H 98 4.350 4.845 -0.495 1
1 412 . 45 1 1 A 38 38 VAL C C 98 175.830 175.381 0.449 1
1 413 . 45 1 1 A 38 38 VAL CA C 98 60.580 58.810 1.770 1
1 414 . 45 1 1 A 38 38 VAL CB C 98 33.410 35.138 -1.728 1
1 417 . 45 1 1 A 38 38 VAL N N 98 115.860 114.144 1.716 1
1 418 . 45 1 1 A 39 39 LYS H H 99 8.960 8.603 0.357 1
1 419 . 45 1 1 A 39 39 LYS HA H 99 4.430 4.497 -0.067 1
1 425 . 45 1 1 A 39 39 LYS C C 99 175.700 174.632 1.068 1
1 426 . 45 1 1 A 39 39 LYS CA C 99 55.420 55.986 -0.566 1
1 427 . 45 1 1 A 39 39 LYS CB C 99 30.580 31.700 -1.120 1
1 431 . 45 1 1 A 39 39 LYS N N 99 127.710 118.545 9.165 1
1 432 . 45 1 1 A 40 40 ILE H H 100 7.660 7.533 0.127 1
1 433 . 45 1 1 A 40 40 ILE HA H 100 5.020 4.600 0.420 1
1 443 . 45 1 1 A 40 40 ILE C C 100 174.520 174.882 -0.362 1
1 444 . 45 1 1 A 40 40 ILE CA C 100 59.370 60.250 -0.880 1
1 445 . 45 1 1 A 40 40 ILE CB C 100 40.650 38.559 2.091 1
1 449 . 45 1 1 A 40 40 ILE N N 100 123.140 121.728 1.412 1
1 450 . 45 1 1 A 41 41 GLU H H 101 8.490 8.995 -0.505 1
1 451 . 45 1 1 A 41 41 GLU HA H 101 4.620 4.938 -0.318 1
1 456 . 45 1 1 A 41 41 GLU C C 101 173.590 174.460 -0.870 1
1 457 . 45 1 1 A 41 41 GLU CA C 101 53.740 54.323 -0.583 1
1 458 . 45 1 1 A 41 41 GLU CB C 101 34.580 33.578 1.002 1
1 460 . 45 1 1 A 41 41 GLU N N 101 123.460 124.554 -1.094 1
1 461 . 45 1 1 A 42 42 LEU H H 102 8.490 8.389 0.101 1
1 462 . 45 1 1 A 42 42 LEU HA H 102 3.790 4.458 -0.668 1
1 472 . 45 1 1 A 42 42 LEU C C 102 176.440 175.386 1.054 1
1 473 . 45 1 1 A 42 42 LEU CA C 102 55.190 54.331 0.859 1
1 474 . 45 1 1 A 42 42 LEU CB C 102 43.100 43.420 -0.320 1
1 478 . 45 1 1 A 42 42 LEU N N 102 123.470 124.257 -0.787 1
1 479 . 45 1 1 A 43 43 ASP H H 103 8.770 8.461 0.309 1
1 480 . 45 1 1 A 43 43 ASP HA H 103 4.520 4.826 -0.306 1
1 483 . 45 1 1 A 43 43 ASP C C 103 177.600 176.797 0.803 1
1 484 . 45 1 1 A 43 43 ASP CA C 103 53.740 53.604 0.136 1
1 485 . 45 1 1 A 43 43 ASP CB C 103 41.880 42.687 -0.807 1
1 486 . 45 1 1 A 43 43 ASP N N 103 127.210 125.392 1.818 1
1 487 . 45 1 1 A 44 44 LYS H H 104 8.910 9.080 -0.170 1
1 488 . 45 1 1 A 44 44 LYS HA H 104 3.920 4.411 -0.491 1
1 495 . 45 1 1 A 44 44 LYS C C 104 177.340 177.358 -0.018 1
1 496 . 45 1 1 A 44 44 LYS CA C 104 58.930 56.665 2.265 1
1 497 . 45 1 1 A 44 44 LYS CB C 104 32.000 32.155 -0.155 1
1 501 . 45 1 1 A 44 44 LYS N N 104 129.080 127.256 1.824 1
1 502 . 45 1 1 A 45 45 SER H H 105 8.740 7.784 0.956 1
1 503 . 45 1 1 A 45 45 SER HA H 105 4.370 4.447 -0.077 1
1 506 . 45 1 1 A 45 45 SER C C 105 175.040 174.729 0.311 1
1 507 . 45 1 1 A 45 45 SER CA C 105 59.150 58.874 0.276 1
1 508 . 45 1 1 A 45 45 SER CB C 105 63.830 63.923 -0.093 1
1 509 . 45 1 1 A 45 45 SER N N 105 115.270 112.931 2.339 1
1 510 . 45 1 1 A 46 46 ALA H H 106 7.430 7.363 0.067 1
1 511 . 45 1 1 A 46 46 ALA HA H 106 4.150 4.170 -0.020 1
1 515 . 45 1 1 A 46 46 ALA CA C 106 53.300 52.327 0.973 1
1 516 . 45 1 1 A 46 46 ALA CB C 106 19.190 19.759 -0.569 1
1 517 . 45 1 1 A 46 46 ALA N N 106 125.120 125.414 -0.294 1
1 518 . 45 1 1 A 47 47 ARG HA H 107 4.280 4.557 -0.277 1
1 526 . 45 1 1 A 48 48 HIS HA H 108 4.650 5.338 -0.688 1
1 531 . 45 1 1 A 48 48 HIS C C 108 173.160 173.316 -0.156 1
1 532 . 45 1 1 A 48 48 HIS CA C 108 54.990 53.694 1.296 1
1 533 . 45 1 1 A 48 48 HIS CB C 108 33.400 33.428 -0.028 1
1 538 . 45 1 1 A 49 49 LEU H H 109 8.030 8.698 -0.668 1
1 539 . 45 1 1 A 49 49 LEU HA H 109 5.040 4.715 0.325 1
1 549 . 45 1 1 A 49 49 LEU CA C 109 54.480 53.476 1.004 1
1 550 . 45 1 1 A 49 49 LEU CB C 109 43.010 41.845 1.165 1
1 554 . 45 1 1 A 49 49 LEU N N 109 120.130 120.516 -0.386 1
1 555 . 45 1 1 A 50 50 TYR HA H 110 5.020 5.369 -0.349 1
1 560 . 45 1 1 A 50 50 TYR C C 110 176.960 175.593 1.367 1
1 561 . 45 1 1 A 50 50 TYR CA C 110 60.340 56.465 3.875 1
1 562 . 45 1 1 A 50 50 TYR CB C 110 39.210 41.157 -1.947 1
1 565 . 45 1 1 A 51 51 ILE H H 111 8.510 8.592 -0.082 1
1 566 . 45 1 1 A 51 51 ILE HA H 111 5.960 5.064 0.896 1
1 576 . 45 1 1 A 51 51 ILE C C 111 177.900 175.798 2.102 1
1 577 . 45 1 1 A 51 51 ILE CA C 111 58.100 59.173 -1.073 1
1 578 . 45 1 1 A 51 51 ILE CB C 111 41.370 40.750 0.620 1
1 582 . 45 1 1 A 51 51 ILE N N 111 115.050 118.833 -3.783 1
1 583 . 45 1 1 A 52 52 CYS H H 112 9.830 8.829 1.001 1
1 584 . 45 1 1 A 52 52 CYS HA H 112 5.000 4.803 0.197 1
1 587 . 45 1 1 A 52 52 CYS C C 112 175.420 175.357 0.063 1
1 588 . 45 1 1 A 52 52 CYS CA C 112 57.770 58.356 -0.586 1
1 589 . 45 1 1 A 52 52 CYS CB C 112 33.120 29.430 3.690 1
1 590 . 45 1 1 A 52 52 CYS N N 112 125.820 122.080 3.740 1
1 591 . 45 1 1 A 53 53 ASP H H 113 9.000 9.115 -0.115 1
1 592 . 45 1 1 A 53 53 ASP HA H 113 4.510 4.328 0.182 1
1 594 . 45 1 1 A 53 53 ASP C C 113 178.140 177.425 0.715 1
1 595 . 45 1 1 A 53 53 ASP CA C 113 57.330 57.610 -0.280 1
1 596 . 45 1 1 A 53 53 ASP CB C 113 39.730 40.583 -0.853 1
1 597 . 45 1 1 A 53 53 ASP N N 113 121.960 123.320 -1.360 1
1 598 . 45 1 1 A 54 54 TYR H H 114 8.220 8.178 0.042 1
1 599 . 45 1 1 A 54 54 TYR HA H 114 4.100 4.192 -0.092 1
1 604 . 45 1 1 A 54 54 TYR C C 114 178.410 177.332 1.078 1
1 605 . 45 1 1 A 54 54 TYR CA C 114 61.970 61.630 0.340 1
1 606 . 45 1 1 A 54 54 TYR CB C 114 37.150 38.688 -1.538 1
1 609 . 45 1 1 A 54 54 TYR N N 114 123.510 120.743 2.767 1
1 610 . 45 1 1 A 55 55 HIS H H 115 10.090 7.872 2.218 1
1 611 . 45 1 1 A 55 55 HIS HA H 115 4.040 4.272 -0.232 1
1 616 . 45 1 1 A 55 55 HIS C C 115 177.240 177.507 -0.267 1
1 617 . 45 1 1 A 55 55 HIS CA C 115 63.870 59.753 4.117 1
1 618 . 45 1 1 A 55 55 HIS CB C 115 29.600 29.869 -0.269 1
1 621 . 45 1 1 A 55 55 HIS N N 115 124.830 117.551 7.279 1
1 624 . 45 1 1 A 56 56 LYS H H 116 8.830 8.304 0.526 1
1 625 . 45 1 1 A 56 56 LYS HA H 116 3.720 3.878 -0.158 1
1 633 . 45 1 1 A 56 56 LYS C C 116 178.140 178.756 -0.616 1
1 634 . 45 1 1 A 56 56 LYS CA C 116 60.590 60.090 0.500 1
1 635 . 45 1 1 A 56 56 LYS CB C 116 32.230 32.613 -0.383 1
1 639 . 45 1 1 A 56 56 LYS N N 116 123.340 120.618 2.722 1
1 640 . 45 1 1 A 57 57 ASN H H 117 8.140 8.319 -0.179 1
1 641 . 45 1 1 A 57 57 ASN HA H 117 4.340 4.504 -0.164 1
1 646 . 45 1 1 A 57 57 ASN C C 117 177.570 177.469 0.101 1
1 647 . 45 1 1 A 57 57 ASN CA C 117 55.890 56.174 -0.284 1
1 648 . 45 1 1 A 57 57 ASN CB C 117 38.070 38.748 -0.678 1
1 649 . 45 1 1 A 57 57 ASN N N 117 116.920 118.375 -1.455 1
1 651 . 45 1 1 A 58 58 LEU H H 118 7.890 7.490 0.400 1
1 652 . 45 1 1 A 58 58 LEU HA H 118 3.930 3.936 -0.006 1
1 662 . 45 1 1 A 58 58 LEU C C 118 179.400 178.971 0.429 1
1 663 . 45 1 1 A 58 58 LEU CA C 118 58.420 57.943 0.477 1
1 664 . 45 1 1 A 58 58 LEU CB C 118 43.170 41.551 1.619 1
1 668 . 45 1 1 A 58 58 LEU N N 118 123.590 119.865 3.725 1
1 669 . 45 1 1 A 59 59 ILE H H 119 8.360 8.268 0.092 1
1 670 . 45 1 1 A 59 59 ILE HA H 119 3.470 3.906 -0.436 1
1 680 . 45 1 1 A 59 59 ILE C C 119 177.290 178.092 -0.802 1
1 681 . 45 1 1 A 59 59 ILE CA C 119 65.260 64.091 1.169 1
1 682 . 45 1 1 A 59 59 ILE CB C 119 38.330 37.320 1.010 1
1 686 . 45 1 1 A 59 59 ILE N N 119 118.630 119.273 -0.643 1
1 687 . 45 1 1 A 60 60 GLN H H 120 7.830 8.432 -0.602 1
1 688 . 45 1 1 A 60 60 GLN HA H 120 4.130 4.064 0.066 1
1 694 . 45 1 1 A 60 60 GLN C C 120 177.240 177.779 -0.539 1
1 695 . 45 1 1 A 60 60 GLN CA C 120 57.750 59.138 -1.388 1
1 696 . 45 1 1 A 60 60 GLN CB C 120 28.910 28.584 0.326 1
1 698 . 45 1 1 A 60 60 GLN N N 120 117.840 120.124 -2.284 1
1 700 . 45 1 1 A 61 61 SER H H 121 7.790 7.755 0.035 1
1 701 . 45 1 1 A 61 61 SER HA H 121 4.300 4.915 -0.615 1
1 703 . 45 1 1 A 61 61 SER C C 121 175.650 174.837 0.813 1
1 704 . 45 1 1 A 61 61 SER CA C 121 60.090 59.300 0.790 1
1 705 . 45 1 1 A 61 61 SER CB C 121 63.570 63.146 0.424 1
1 706 . 45 1 1 A 61 61 SER N N 121 115.460 116.932 -1.472 1
1 707 . 45 1 1 A 62 62 VAL H H 122 8.020 7.704 0.316 1
1 708 . 45 1 1 A 62 62 VAL HA H 122 4.020 3.817 0.203 1
1 716 . 45 1 1 A 62 62 VAL C C 122 176.960 177.029 -0.069 1
1 717 . 45 1 1 A 62 62 VAL CA C 122 63.600 65.045 -1.445 1
1 718 . 45 1 1 A 62 62 VAL CB C 122 32.300 32.330 -0.030 1
1 721 . 45 1 1 A 62 62 VAL N N 122 121.600 120.094 1.506 1
1 722 . 45 1 1 A 63 63 ARG H H 123 8.130 7.866 0.264 1
1 723 . 45 1 1 A 63 63 ARG HA H 123 4.190 4.479 -0.289 1
1 729 . 45 1 1 A 63 63 ARG C C 123 176.490 175.100 1.390 1
1 730 . 45 1 1 A 63 63 ARG CA C 123 57.070 55.230 1.840 1
1 731 . 45 1 1 A 63 63 ARG CB C 123 30.780 30.507 0.273 1
1 734 . 45 1 1 A 63 63 ARG N N 123 122.770 118.023 4.747 1
1 735 . 45 1 1 A 64 64 ASN H H 124 8.210 7.653 0.557 1
1 736 . 45 1 1 A 64 64 ASN HA H 124 4.650 5.127 -0.477 1
1 741 . 45 1 1 A 64 64 ASN C C 124 175.310 173.320 1.990 1
1 742 . 45 1 1 A 64 64 ASN CA C 124 53.500 53.285 0.215 1
1 743 . 45 1 1 A 64 64 ASN CB C 124 38.840 40.774 -1.934 1
1 744 . 45 1 1 A 64 64 ASN N N 124 119.350 117.891 1.459 1
1 746 . 45 1 1 A 65 65 ARG H H 125 8.100 9.125 -1.025 1
1 747 . 45 1 1 A 65 65 ARG HA H 125 4.270 5.139 -0.869 1
1 752 . 45 1 1 A 65 65 ARG C C 125 176.310 175.583 0.727 1
1 753 . 45 1 1 A 65 65 ARG CA C 125 56.580 54.441 2.139 1
1 754 . 45 1 1 A 65 65 ARG CB C 125 30.810 33.783 -2.973 1
1 757 . 45 1 1 A 65 65 ARG N N 125 122.230 125.732 -3.502 1
1 758 . 45 1 1 A 66 66 ARG H H 126 8.260 8.681 -0.421 1
1 759 . 45 1 1 A 66 66 ARG HA H 126 4.270 4.565 -0.295 1
1 764 . 45 1 1 A 66 66 ARG C C 126 176.210 175.852 0.358 1
1 765 . 45 1 1 A 66 66 ARG CA C 126 56.190 55.106 1.084 1
1 766 . 45 1 1 A 66 66 ARG CB C 126 30.810 30.802 0.008 1
1 769 . 45 1 1 A 66 66 ARG N N 126 122.760 125.739 -2.979 1
1 770 . 45 1 1 A 67 67 LYS H H 127 8.270 7.922 0.348 1
1 771 . 45 1 1 A 67 67 LYS HA H 127 4.260 4.242 0.018 1
1 776 . 45 1 1 A 67 67 LYS C C 127 176.450 176.488 -0.038 1
1 777 . 45 1 1 A 67 67 LYS CA C 127 56.320 57.083 -0.763 1
1 778 . 45 1 1 A 67 67 LYS CB C 127 33.180 31.386 1.794 1
1 782 . 45 1 1 A 67 67 LYS N N 127 123.620 116.728 6.892 1
1 783 . 45 1 1 A 68 68 ARG H H 128 8.340 8.533 -0.193 1
1 784 . 45 1 1 A 68 68 ARG HA H 128 4.270 4.264 0.006 1
1 788 . 45 1 1 A 68 68 ARG C C 128 176.250 176.099 0.151 1
1 789 . 45 1 1 A 68 68 ARG CA C 128 56.130 57.412 -1.282 1
1 790 . 45 1 1 A 68 68 ARG CB C 128 31.060 31.783 -0.723 1
1 793 . 45 1 1 A 68 68 ARG N N 128 123.750 125.824 -2.074 1
1 794 . 45 1 1 A 69 69 LYS H H 129 8.450 8.162 0.288 1
1 795 . 45 1 1 A 69 69 LYS HA H 129 4.250 4.204 0.046 1
1 800 . 45 1 1 A 69 69 LYS C C 129 177.010 176.292 0.718 1
1 801 . 45 1 1 A 69 69 LYS CA C 129 57.000 58.605 -1.605 1
1 802 . 45 1 1 A 69 69 LYS CB C 129 32.940 32.153 0.787 1
1 806 . 45 1 1 A 69 69 LYS N N 129 124.580 119.483 5.097 1
1 807 . 45 1 1 A 70 70 GLY H H 130 8.500 7.916 0.584 1
1 808 . 45 1 1 A 70 70 GLY HA2 H 130 3.910 4.145 -0.235 1
1 809 . 45 1 1 A 70 70 GLY HA3 H 130 4.010 4.145 -0.135 1
1 810 . 45 1 1 A 70 70 GLY C C 130 173.360 174.140 -0.780 1
1 811 . 45 1 1 A 70 70 GLY CA C 130 45.370 45.858 -0.488 1
1 812 . 45 1 1 A 70 70 GLY N N 130 112.470 111.107 1.363 1
1 6 . 46 1 1 A 2 2 ASN HA H 62 4.610 4.697 -0.087 1
1 10 . 46 1 1 A 2 2 ASN C C 62 174.760 175.489 -0.729 1
1 11 . 46 1 1 A 2 2 ASN CA C 62 53.100 52.716 0.384 1
1 12 . 46 1 1 A 2 2 ASN CB C 62 38.790 37.737 1.053 1
1 14 . 46 1 1 A 3 3 ALA H H 63 8.300 8.173 0.127 1
1 15 . 46 1 1 A 3 3 ALA HA H 63 4.200 4.550 -0.350 1
1 19 . 46 1 1 A 3 3 ALA C C 63 178.180 177.575 0.605 1
1 20 . 46 1 1 A 3 3 ALA CA C 63 53.070 51.506 1.564 1
1 21 . 46 1 1 A 3 3 ALA CB C 63 18.960 20.105 -1.145 1
1 22 . 46 1 1 A 3 3 ALA N N 63 125.390 127.031 -1.641 1
1 23 . 46 1 1 A 4 4 GLY H H 64 8.340 8.167 0.173 1
1 24 . 46 1 1 A 4 4 GLY HA2 H 64 3.800 3.932 -0.132 1
1 25 . 46 1 1 A 4 4 GLY HA3 H 64 3.860 3.936 -0.076 1
1 26 . 46 1 1 A 4 4 GLY C C 64 174.010 173.557 0.453 1
1 27 . 46 1 1 A 4 4 GLY CA C 64 45.350 45.709 -0.359 1
1 28 . 46 1 1 A 4 4 GLY N N 64 109.300 106.475 2.825 1
1 29 . 46 1 1 A 5 5 GLN H H 65 7.950 7.591 0.359 1
1 30 . 46 1 1 A 5 5 GLN HA H 65 4.330 4.857 -0.527 1
1 35 . 46 1 1 A 5 5 GLN C C 65 175.560 174.592 0.968 1
1 36 . 46 1 1 A 5 5 GLN CA C 65 55.400 54.223 1.177 1
1 37 . 46 1 1 A 5 5 GLN CB C 65 29.860 31.808 -1.948 1
1 39 . 46 1 1 A 5 5 GLN N N 65 119.540 118.176 1.364 1
1 41 . 46 1 1 A 6 6 LEU H H 66 8.740 8.835 -0.095 1
1 42 . 46 1 1 A 6 6 LEU HA H 66 4.610 4.874 -0.264 1
1 52 . 46 1 1 A 6 6 LEU C C 66 175.750 176.363 -0.613 1
1 53 . 46 1 1 A 6 6 LEU CA C 66 54.010 53.848 0.162 1
1 54 . 46 1 1 A 6 6 LEU CB C 66 43.490 43.222 0.268 1
1 58 . 46 1 1 A 6 6 LEU N N 66 126.120 123.128 2.992 1
1 59 . 46 1 1 A 7 7 CYS H H 67 8.470 9.275 -0.805 1
1 60 . 46 1 1 A 7 7 CYS HA H 67 4.140 4.390 -0.250 1
1 63 . 46 1 1 A 7 7 CYS C C 67 175.320 176.196 -0.876 1
1 64 . 46 1 1 A 7 7 CYS CA C 67 60.780 59.706 1.074 1
1 65 . 46 1 1 A 7 7 CYS CB C 67 32.850 28.278 4.572 1
1 66 . 46 1 1 A 7 7 CYS N N 67 123.170 123.737 -0.567 1
1 67 . 46 1 1 A 8 8 CYS H H 68 8.170 8.640 -0.470 1
1 68 . 46 1 1 A 8 8 CYS HA H 68 4.280 4.689 -0.409 1
1 72 . 46 1 1 A 8 8 CYS C C 68 172.410 174.216 -1.806 1
1 73 . 46 1 1 A 8 8 CYS CA C 68 58.920 58.321 0.599 1
1 74 . 46 1 1 A 8 8 CYS CB C 68 28.920 27.381 1.539 1
1 75 . 46 1 1 A 8 8 CYS N N 68 124.700 122.044 2.656 1
1 76 . 46 1 1 A 9 9 LEU H H 69 8.180 7.575 0.605 1
1 77 . 46 1 1 A 9 9 LEU HA H 69 4.580 4.664 -0.084 1
1 87 . 46 1 1 A 9 9 LEU C C 69 176.770 176.174 0.596 1
1 88 . 46 1 1 A 9 9 LEU CA C 69 54.760 52.986 1.774 1
1 89 . 46 1 1 A 9 9 LEU CB C 69 43.150 45.194 -2.044 1
1 93 . 46 1 1 A 9 9 LEU N N 69 122.650 122.723 -0.073 1
1 94 . 46 1 1 A 10 10 ARG H H 70 8.880 8.791 0.089 1
1 95 . 46 1 1 A 10 10 ARG HA H 70 4.770 5.366 -0.596 1
1 102 . 46 1 1 A 10 10 ARG C C 70 174.900 174.127 0.773 1
1 103 . 46 1 1 A 10 10 ARG CA C 70 54.710 54.205 0.505 1
1 104 . 46 1 1 A 10 10 ARG CB C 70 33.390 31.972 1.418 1
1 107 . 46 1 1 A 10 10 ARG N N 70 117.650 121.022 -3.372 1
1 108 . 46 1 1 A 11 11 GLU H H 71 8.640 9.207 -0.567 1
1 109 . 46 1 1 A 11 11 GLU HA H 71 5.090 4.768 0.322 1
1 113 . 46 1 1 A 11 11 GLU C C 71 176.070 175.916 0.154 1
1 114 . 46 1 1 A 11 11 GLU CA C 71 54.270 55.229 -0.959 1
1 115 . 46 1 1 A 11 11 GLU CB C 71 32.460 30.991 1.469 1
1 117 . 46 1 1 A 11 11 GLU N N 71 123.910 125.916 -2.006 1
1 118 . 46 1 1 A 12 12 ASP H H 72 9.510 9.206 0.304 1
1 119 . 46 1 1 A 12 12 ASP HA H 72 4.270 4.413 -0.143 1
1 122 . 46 1 1 A 12 12 ASP C C 72 175.890 175.844 0.046 1
1 123 . 46 1 1 A 12 12 ASP CA C 72 55.880 55.391 0.489 1
1 124 . 46 1 1 A 12 12 ASP CB C 72 39.910 40.059 -0.149 1
1 125 . 46 1 1 A 12 12 ASP N N 72 129.440 128.474 0.966 1
1 126 . 46 1 1 A 13 13 GLY H H 73 8.970 8.531 0.439 1
1 127 . 46 1 1 A 13 13 GLY HA2 H 73 3.520 3.861 -0.341 1
1 128 . 46 1 1 A 13 13 GLY HA3 H 73 4.200 3.865 0.335 1
1 129 . 46 1 1 A 13 13 GLY C C 73 173.960 173.819 0.141 1
1 130 . 46 1 1 A 13 13 GLY CA C 73 45.350 45.214 0.136 1
1 131 . 46 1 1 A 13 13 GLY N N 73 103.500 103.787 -0.287 1
1 132 . 46 1 1 A 14 14 GLU H H 74 7.660 7.761 -0.101 1
1 133 . 46 1 1 A 14 14 GLU HA H 74 4.640 4.448 0.192 1
1 138 . 46 1 1 A 14 14 GLU C C 74 176.170 176.308 -0.138 1
1 139 . 46 1 1 A 14 14 GLU CA C 74 54.460 55.851 -1.391 1
1 140 . 46 1 1 A 14 14 GLU CB C 74 32.050 30.673 1.377 1
1 142 . 46 1 1 A 14 14 GLU N N 74 121.330 120.551 0.779 1
1 143 . 46 1 1 A 15 15 ARG H H 75 9.000 8.811 0.189 1
1 144 . 46 1 1 A 15 15 ARG HA H 75 4.120 4.495 -0.375 1
1 150 . 46 1 1 A 15 15 ARG C C 75 175.230 175.905 -0.675 1
1 151 . 46 1 1 A 15 15 ARG CA C 75 56.640 54.967 1.673 1
1 152 . 46 1 1 A 15 15 ARG CB C 75 29.720 28.291 1.429 1
1 155 . 46 1 1 A 15 15 ARG N N 75 127.990 124.944 3.046 1
1 156 . 46 1 1 A 16 16 CYS H H 76 8.870 8.673 0.197 1
1 157 . 46 1 1 A 16 16 CYS HA H 76 4.170 4.327 -0.157 1
1 160 . 46 1 1 A 16 16 CYS CA C 76 61.840 61.132 0.708 1
1 161 . 46 1 1 A 16 16 CYS CB C 76 31.150 28.021 3.129 1
1 162 . 46 1 1 A 16 16 CYS N N 76 131.840 120.284 11.556 1
1 163 . 46 1 1 A 17 17 GLY H H 77 8.530 7.959 0.571 1
1 164 . 46 1 1 A 17 17 GLY HA2 H 77 3.680 3.920 -0.240 1
1 165 . 46 1 1 A 17 17 GLY HA3 H 77 4.340 3.937 0.403 1
1 166 . 46 1 1 A 17 17 GLY C C 77 174.620 173.801 0.819 1
1 167 . 46 1 1 A 17 17 GLY CA C 77 45.110 45.081 0.029 1
1 168 . 46 1 1 A 17 17 GLY N N 77 111.930 108.506 3.424 1
1 169 . 46 1 1 A 18 18 ARG H H 78 8.960 7.891 1.069 1
1 170 . 46 1 1 A 18 18 ARG HA H 78 4.290 4.491 -0.201 1
1 177 . 46 1 1 A 18 18 ARG C C 78 175.270 175.886 -0.616 1
1 178 . 46 1 1 A 18 18 ARG CA C 78 56.350 55.179 1.171 1
1 179 . 46 1 1 A 18 18 ARG CB C 78 31.310 31.778 -0.468 1
1 182 . 46 1 1 A 18 18 ARG N N 78 124.390 121.983 2.407 1
1 183 . 46 1 1 A 19 19 ALA H H 79 8.340 8.544 -0.204 1
1 184 . 46 1 1 A 19 19 ALA HA H 79 4.170 4.615 -0.445 1
1 188 . 46 1 1 A 19 19 ALA C C 79 177.620 177.421 0.199 1
1 189 . 46 1 1 A 19 19 ALA CA C 79 52.710 52.273 0.437 1
1 190 . 46 1 1 A 19 19 ALA CB C 79 18.710 19.218 -0.508 1
1 191 . 46 1 1 A 19 19 ALA N N 79 123.880 126.734 -2.854 1
1 192 . 46 1 1 A 20 20 ALA H H 80 8.470 9.187 -0.717 1
1 193 . 46 1 1 A 20 20 ALA HA H 80 3.540 4.354 -0.814 1
1 197 . 46 1 1 A 20 20 ALA C C 80 177.560 177.812 -0.252 1
1 198 . 46 1 1 A 20 20 ALA CA C 80 52.840 52.568 0.272 1
1 199 . 46 1 1 A 20 20 ALA CB C 80 19.050 19.510 -0.460 1
1 200 . 46 1 1 A 20 20 ALA N N 80 124.580 123.616 0.964 1
1 201 . 46 1 1 A 21 21 GLY H H 81 8.090 8.398 -0.308 1
1 202 . 46 1 1 A 21 21 GLY HA2 H 81 3.800 4.157 -0.357 1
1 203 . 46 1 1 A 21 21 GLY HA3 H 81 4.430 4.179 0.251 1
1 204 . 46 1 1 A 21 21 GLY C C 81 173.170 174.696 -1.526 1
1 205 . 46 1 1 A 21 21 GLY CA C 81 44.390 44.572 -0.182 1
1 206 . 46 1 1 A 21 21 GLY N N 81 114.000 108.187 5.813 1
1 207 . 46 1 1 A 22 22 ASN H H 82 8.690 8.384 0.306 1
1 208 . 46 1 1 A 22 22 ASN HA H 82 4.650 5.025 -0.375 1
1 213 . 46 1 1 A 22 22 ASN C C 82 176.260 175.436 0.824 1
1 214 . 46 1 1 A 22 22 ASN CA C 82 53.580 53.058 0.522 1
1 215 . 46 1 1 A 22 22 ASN CB C 82 39.580 40.016 -0.436 1
1 216 . 46 1 1 A 22 22 ASN N N 82 118.160 120.001 -1.841 1
1 218 . 46 1 1 A 23 23 ALA H H 83 8.720 7.580 1.140 1
1 219 . 46 1 1 A 23 23 ALA HA H 83 4.570 4.459 0.111 1
1 223 . 46 1 1 A 23 23 ALA C C 83 175.910 176.169 -0.259 1
1 224 . 46 1 1 A 23 23 ALA CA C 83 52.340 51.752 0.588 1
1 225 . 46 1 1 A 23 23 ALA CB C 83 19.370 20.649 -1.279 1
1 226 . 46 1 1 A 23 23 ALA N N 83 125.180 123.177 2.003 1
1 227 . 46 1 1 A 24 24 SER H H 84 7.970 8.569 -0.599 1
1 228 . 46 1 1 A 24 24 SER HA H 84 5.310 5.139 0.171 1
1 230 . 46 1 1 A 24 24 SER C C 84 174.620 172.125 2.495 1
1 231 . 46 1 1 A 24 24 SER CA C 84 56.550 57.268 -0.718 1
1 232 . 46 1 1 A 24 24 SER CB C 84 66.420 67.346 -0.926 1
1 233 . 46 1 1 A 24 24 SER N N 84 112.840 113.503 -0.663 1
1 234 . 46 1 1 A 25 25 PHE H H 85 9.580 8.793 0.787 1
1 235 . 46 1 1 A 25 25 PHE HA H 85 4.320 5.176 -0.856 1
1 241 . 46 1 1 A 25 25 PHE C C 85 173.430 174.655 -1.225 1
1 242 . 46 1 1 A 25 25 PHE CA C 85 57.780 55.628 2.152 1
1 243 . 46 1 1 A 25 25 PHE CB C 85 38.780 40.240 -1.460 1
1 247 . 46 1 1 A 25 25 PHE N N 85 125.520 125.029 0.491 1
1 248 . 46 1 1 A 26 26 SER H H 86 6.780 8.462 -1.682 1
1 249 . 46 1 1 A 26 26 SER HA H 86 4.430 4.746 -0.316 1
1 252 . 46 1 1 A 26 26 SER C C 86 174.200 175.094 -0.894 1
1 253 . 46 1 1 A 26 26 SER CA C 86 56.610 56.610 0.000 1
1 254 . 46 1 1 A 26 26 SER CB C 86 66.010 65.525 0.485 1
1 255 . 46 1 1 A 26 26 SER N N 86 118.860 118.861 -0.001 1
1 256 . 46 1 1 A 27 27 LYS H H 87 8.710 8.620 0.090 1
1 257 . 46 1 1 A 27 27 LYS HA H 87 3.850 3.801 0.049 1
1 263 . 46 1 1 A 27 27 LYS C C 87 178.490 178.810 -0.320 1
1 264 . 46 1 1 A 27 27 LYS CA C 87 59.390 59.076 0.314 1
1 265 . 46 1 1 A 27 27 LYS CB C 87 31.970 32.572 -0.602 1
1 269 . 46 1 1 A 27 27 LYS N N 87 121.790 119.803 1.987 1
1 270 . 46 1 1 A 28 28 ARG H H 88 8.010 7.767 0.243 1
1 271 . 46 1 1 A 28 28 ARG HA H 88 3.990 4.003 -0.013 1
1 277 . 46 1 1 A 28 28 ARG C C 88 178.890 178.728 0.162 1
1 278 . 46 1 1 A 28 28 ARG CA C 88 59.010 58.557 0.453 1
1 279 . 46 1 1 A 28 28 ARG CB C 88 30.120 29.704 0.416 1
1 282 . 46 1 1 A 28 28 ARG N N 88 119.520 119.617 -0.097 1
1 283 . 46 1 1 A 29 29 ILE H H 89 7.350 8.071 -0.721 1
1 284 . 46 1 1 A 29 29 ILE HA H 89 3.680 3.665 0.015 1
1 294 . 46 1 1 A 29 29 ILE C C 89 177.620 177.771 -0.151 1
1 295 . 46 1 1 A 29 29 ILE CA C 89 63.170 65.194 -2.024 1
1 296 . 46 1 1 A 29 29 ILE CB C 89 36.900 37.084 -0.184 1
1 300 . 46 1 1 A 29 29 ILE N N 89 121.980 119.867 2.113 1
1 301 . 46 1 1 A 30 30 GLN H H 90 7.990 7.958 0.032 1
1 302 . 46 1 1 A 30 30 GLN HA H 90 3.630 3.952 -0.322 1
1 308 . 46 1 1 A 30 30 GLN C C 90 178.320 178.494 -0.174 1
1 309 . 46 1 1 A 30 30 GLN CA C 90 59.200 59.201 -0.001 1
1 310 . 46 1 1 A 30 30 GLN CB C 90 28.700 28.087 0.613 1
1 312 . 46 1 1 A 30 30 GLN N N 90 121.020 120.561 0.459 1
1 314 . 46 1 1 A 31 31 LYS H H 91 7.990 8.142 -0.152 1
1 315 . 46 1 1 A 31 31 LYS HA H 91 4.090 4.030 0.060 1
1 321 . 46 1 1 A 31 31 LYS C C 91 178.650 178.942 -0.292 1
1 322 . 46 1 1 A 31 31 LYS CA C 91 58.720 59.152 -0.432 1
1 323 . 46 1 1 A 31 31 LYS CB C 91 32.220 32.099 0.121 1
1 327 . 46 1 1 A 31 31 LYS N N 91 119.520 119.107 0.413 1
1 328 . 46 1 1 A 32 32 SER H H 92 7.770 7.896 -0.126 1
1 329 . 46 1 1 A 32 32 SER HA H 92 4.320 4.173 0.147 1
1 332 . 46 1 1 A 32 32 SER C C 92 176.110 177.401 -1.291 1
1 333 . 46 1 1 A 32 32 SER CA C 92 61.260 61.700 -0.440 1
1 334 . 46 1 1 A 32 32 SER CB C 92 63.610 63.265 0.345 1
1 335 . 46 1 1 A 32 32 SER N N 92 116.310 114.654 1.656 1
1 336 . 46 1 1 A 33 33 ILE H H 93 7.960 7.921 0.039 1
1 337 . 46 1 1 A 33 33 ILE HA H 93 3.920 3.644 0.276 1
1 347 . 46 1 1 A 33 33 ILE C C 93 177.480 177.781 -0.301 1
1 348 . 46 1 1 A 33 33 ILE CA C 93 63.610 65.262 -1.652 1
1 349 . 46 1 1 A 33 33 ILE CB C 93 38.330 37.363 0.967 1
1 353 . 46 1 1 A 33 33 ILE N N 93 119.950 121.684 -1.734 1
1 354 . 46 1 1 A 34 34 SER H H 94 7.970 8.107 -0.137 1
1 355 . 46 1 1 A 34 34 SER HA H 94 4.390 4.051 0.339 1
1 357 . 46 1 1 A 34 34 SER C C 94 176.490 175.921 0.569 1
1 358 . 46 1 1 A 34 34 SER CA C 94 60.560 62.185 -1.625 1
1 359 . 46 1 1 A 34 34 SER CB C 94 63.130 62.923 0.207 1
1 360 . 46 1 1 A 34 34 SER N N 94 117.230 115.686 1.544 1
1 361 . 46 1 1 A 35 35 GLN H H 95 8.220 7.978 0.242 1
1 362 . 46 1 1 A 35 35 GLN HA H 95 4.260 4.028 0.232 1
1 369 . 46 1 1 A 35 35 GLN C C 95 177.050 178.318 -1.268 1
1 370 . 46 1 1 A 35 35 GLN CA C 95 57.360 58.949 -1.589 1
1 371 . 46 1 1 A 35 35 GLN CB C 95 28.900 28.618 0.282 1
1 373 . 46 1 1 A 35 35 GLN N N 95 121.530 120.791 0.739 1
1 375 . 46 1 1 A 36 36 LYS H H 96 7.870 7.709 0.161 1
1 376 . 46 1 1 A 36 36 LYS HA H 96 4.280 4.170 0.110 1
1 383 . 46 1 1 A 36 36 LYS C C 96 176.160 176.291 -0.131 1
1 384 . 46 1 1 A 36 36 LYS CA C 96 56.570 58.657 -2.087 1
1 385 . 46 1 1 A 36 36 LYS CB C 96 33.600 32.910 0.690 1
1 389 . 46 1 1 A 36 36 LYS N N 96 118.550 116.094 2.456 1
1 390 . 46 1 1 A 37 37 LYS H H 97 8.110 8.473 -0.363 1
1 391 . 46 1 1 A 37 37 LYS HA H 97 4.110 3.817 0.293 1
1 396 . 46 1 1 A 37 37 LYS C C 97 176.210 175.210 1.000 1
1 397 . 46 1 1 A 37 37 LYS CA C 97 57.230 57.162 0.068 1
1 398 . 46 1 1 A 37 37 LYS CB C 97 30.580 29.823 0.757 1
1 402 . 46 1 1 A 37 37 LYS N N 97 117.680 116.552 1.128 1
1 403 . 46 1 1 A 38 38 VAL H H 98 7.430 7.691 -0.261 1
1 404 . 46 1 1 A 38 38 VAL HA H 98 4.350 4.880 -0.530 1
1 412 . 46 1 1 A 38 38 VAL C C 98 175.830 174.722 1.108 1
1 413 . 46 1 1 A 38 38 VAL CA C 98 60.580 58.976 1.604 1
1 414 . 46 1 1 A 38 38 VAL CB C 98 33.410 35.556 -2.146 1
1 417 . 46 1 1 A 38 38 VAL N N 98 115.860 114.117 1.743 1
1 418 . 46 1 1 A 39 39 LYS H H 99 8.960 8.396 0.564 1
1 419 . 46 1 1 A 39 39 LYS HA H 99 4.430 4.518 -0.088 1
1 425 . 46 1 1 A 39 39 LYS C C 99 175.700 175.075 0.625 1
1 426 . 46 1 1 A 39 39 LYS CA C 99 55.420 55.953 -0.533 1
1 427 . 46 1 1 A 39 39 LYS CB C 99 30.580 31.025 -0.445 1
1 431 . 46 1 1 A 39 39 LYS N N 99 127.710 119.890 7.820 1
1 432 . 46 1 1 A 40 40 ILE H H 100 7.660 8.035 -0.375 1
1 433 . 46 1 1 A 40 40 ILE HA H 100 5.020 4.935 0.085 1
1 443 . 46 1 1 A 40 40 ILE C C 100 174.520 175.008 -0.488 1
1 444 . 46 1 1 A 40 40 ILE CA C 100 59.370 60.839 -1.469 1
1 445 . 46 1 1 A 40 40 ILE CB C 100 40.650 39.865 0.785 1
1 449 . 46 1 1 A 40 40 ILE N N 100 123.140 124.651 -1.511 1
1 450 . 46 1 1 A 41 41 GLU H H 101 8.490 8.949 -0.459 1
1 451 . 46 1 1 A 41 41 GLU HA H 101 4.620 4.998 -0.378 1
1 456 . 46 1 1 A 41 41 GLU C C 101 173.590 174.897 -1.307 1
1 457 . 46 1 1 A 41 41 GLU CA C 101 53.740 54.465 -0.725 1
1 458 . 46 1 1 A 41 41 GLU CB C 101 34.580 33.320 1.260 1
1 460 . 46 1 1 A 41 41 GLU N N 101 123.460 124.664 -1.204 1
1 461 . 46 1 1 A 42 42 LEU H H 102 8.490 8.206 0.284 1
1 462 . 46 1 1 A 42 42 LEU HA H 102 3.790 4.155 -0.365 1
1 472 . 46 1 1 A 42 42 LEU C C 102 176.440 176.099 0.341 1
1 473 . 46 1 1 A 42 42 LEU CA C 102 55.190 55.289 -0.099 1
1 474 . 46 1 1 A 42 42 LEU CB C 102 43.100 42.594 0.506 1
1 478 . 46 1 1 A 42 42 LEU N N 102 123.470 124.989 -1.519 1
1 479 . 46 1 1 A 43 43 ASP H H 103 8.770 8.010 0.760 1
1 480 . 46 1 1 A 43 43 ASP HA H 103 4.520 4.661 -0.141 1
1 483 . 46 1 1 A 43 43 ASP C C 103 177.600 176.988 0.612 1
1 484 . 46 1 1 A 43 43 ASP CA C 103 53.740 53.532 0.208 1
1 485 . 46 1 1 A 43 43 ASP CB C 103 41.880 41.038 0.842 1
1 486 . 46 1 1 A 43 43 ASP N N 103 127.210 125.785 1.425 1
1 487 . 46 1 1 A 44 44 LYS H H 104 8.910 8.613 0.297 1
1 488 . 46 1 1 A 44 44 LYS HA H 104 3.920 4.123 -0.203 1
1 495 . 46 1 1 A 44 44 LYS C C 104 177.340 177.428 -0.088 1
1 496 . 46 1 1 A 44 44 LYS CA C 104 58.930 58.544 0.386 1
1 497 . 46 1 1 A 44 44 LYS CB C 104 32.000 32.060 -0.060 1
1 501 . 46 1 1 A 44 44 LYS N N 104 129.080 127.038 2.042 1
1 502 . 46 1 1 A 45 45 SER H H 105 8.740 7.677 1.063 1
1 503 . 46 1 1 A 45 45 SER HA H 105 4.370 4.534 -0.164 1
1 506 . 46 1 1 A 45 45 SER C C 105 175.040 174.098 0.942 1
1 507 . 46 1 1 A 45 45 SER CA C 105 59.150 57.922 1.228 1
1 508 . 46 1 1 A 45 45 SER CB C 105 63.830 63.385 0.445 1
1 509 . 46 1 1 A 45 45 SER N N 105 115.270 110.069 5.201 1
1 510 . 46 1 1 A 46 46 ALA H H 106 7.430 7.263 0.167 1
1 511 . 46 1 1 A 46 46 ALA HA H 106 4.150 4.182 -0.032 1
1 515 . 46 1 1 A 46 46 ALA CA C 106 53.300 52.009 1.291 1
1 516 . 46 1 1 A 46 46 ALA CB C 106 19.190 20.246 -1.056 1
1 517 . 46 1 1 A 46 46 ALA N N 106 125.120 124.702 0.418 1
1 518 . 46 1 1 A 47 47 ARG HA H 107 4.280 4.574 -0.294 1
1 526 . 46 1 1 A 48 48 HIS HA H 108 4.650 5.064 -0.414 1
1 531 . 46 1 1 A 48 48 HIS C C 108 173.160 172.940 0.220 1
1 532 . 46 1 1 A 48 48 HIS CA C 108 54.990 54.351 0.639 1
1 533 . 46 1 1 A 48 48 HIS CB C 108 33.400 32.261 1.139 1
1 538 . 46 1 1 A 49 49 LEU H H 109 8.030 9.007 -0.977 1
1 539 . 46 1 1 A 49 49 LEU HA H 109 5.040 4.607 0.433 1
1 549 . 46 1 1 A 49 49 LEU CA C 109 54.480 54.138 0.342 1
1 550 . 46 1 1 A 49 49 LEU CB C 109 43.010 43.539 -0.529 1
1 554 . 46 1 1 A 49 49 LEU N N 109 120.130 119.039 1.091 1
1 555 . 46 1 1 A 50 50 TYR HA H 110 5.020 4.726 0.294 1
1 560 . 46 1 1 A 50 50 TYR C C 110 176.960 174.645 2.315 1
1 561 . 46 1 1 A 50 50 TYR CA C 110 60.340 58.369 1.971 1
1 562 . 46 1 1 A 50 50 TYR CB C 110 39.210 36.617 2.593 1
1 565 . 46 1 1 A 51 51 ILE H H 111 8.510 7.988 0.522 1
1 566 . 46 1 1 A 51 51 ILE HA H 111 5.960 4.406 1.554 1
1 576 . 46 1 1 A 51 51 ILE C C 111 177.900 176.156 1.744 1
1 577 . 46 1 1 A 51 51 ILE CA C 111 58.100 59.904 -1.804 1
1 578 . 46 1 1 A 51 51 ILE CB C 111 41.370 39.696 1.674 1
1 582 . 46 1 1 A 51 51 ILE N N 111 115.050 119.203 -4.153 1
1 583 . 46 1 1 A 52 52 CYS H H 112 9.830 8.935 0.895 1
1 584 . 46 1 1 A 52 52 CYS HA H 112 5.000 4.888 0.112 1
1 587 . 46 1 1 A 52 52 CYS C C 112 175.420 175.540 -0.120 1
1 588 . 46 1 1 A 52 52 CYS CA C 112 57.770 57.821 -0.051 1
1 589 . 46 1 1 A 52 52 CYS CB C 112 33.120 30.279 2.841 1
1 590 . 46 1 1 A 52 52 CYS N N 112 125.820 121.902 3.918 1
1 591 . 46 1 1 A 53 53 ASP H H 113 9.000 8.964 0.036 1
1 592 . 46 1 1 A 53 53 ASP HA H 113 4.510 4.367 0.143 1
1 594 . 46 1 1 A 53 53 ASP C C 113 178.140 177.618 0.522 1
1 595 . 46 1 1 A 53 53 ASP CA C 113 57.330 57.413 -0.083 1
1 596 . 46 1 1 A 53 53 ASP CB C 113 39.730 40.427 -0.697 1
1 597 . 46 1 1 A 53 53 ASP N N 113 121.960 122.092 -0.132 1
1 598 . 46 1 1 A 54 54 TYR H H 114 8.220 8.162 0.058 1
1 599 . 46 1 1 A 54 54 TYR HA H 114 4.100 4.196 -0.096 1
1 604 . 46 1 1 A 54 54 TYR C C 114 178.410 177.232 1.178 1
1 605 . 46 1 1 A 54 54 TYR CA C 114 61.970 61.696 0.274 1
1 606 . 46 1 1 A 54 54 TYR CB C 114 37.150 38.722 -1.572 1
1 609 . 46 1 1 A 54 54 TYR N N 114 123.510 122.227 1.283 1
1 610 . 46 1 1 A 55 55 HIS H H 115 10.090 7.895 2.195 1
1 611 . 46 1 1 A 55 55 HIS HA H 115 4.040 4.253 -0.213 1
1 616 . 46 1 1 A 55 55 HIS C C 115 177.240 177.486 -0.246 1
1 617 . 46 1 1 A 55 55 HIS CA C 115 63.870 59.722 4.148 1
1 618 . 46 1 1 A 55 55 HIS CB C 115 29.600 29.792 -0.192 1
1 621 . 46 1 1 A 55 55 HIS N N 115 124.830 117.092 7.738 1
1 624 . 46 1 1 A 56 56 LYS H H 116 8.830 8.319 0.511 1
1 625 . 46 1 1 A 56 56 LYS HA H 116 3.720 3.913 -0.193 1
1 633 . 46 1 1 A 56 56 LYS C C 116 178.140 178.689 -0.549 1
1 634 . 46 1 1 A 56 56 LYS CA C 116 60.590 60.095 0.495 1
1 635 . 46 1 1 A 56 56 LYS CB C 116 32.230 32.617 -0.387 1
1 639 . 46 1 1 A 56 56 LYS N N 116 123.340 120.676 2.664 1
1 640 . 46 1 1 A 57 57 ASN H H 117 8.140 8.153 -0.013 1
1 641 . 46 1 1 A 57 57 ASN HA H 117 4.340 4.496 -0.156 1
1 646 . 46 1 1 A 57 57 ASN C C 117 177.570 177.455 0.115 1
1 647 . 46 1 1 A 57 57 ASN CA C 117 55.890 56.199 -0.309 1
1 648 . 46 1 1 A 57 57 ASN CB C 117 38.070 38.677 -0.607 1
1 649 . 46 1 1 A 57 57 ASN N N 117 116.920 118.342 -1.422 1
1 651 . 46 1 1 A 58 58 LEU H H 118 7.890 7.756 0.134 1
1 652 . 46 1 1 A 58 58 LEU HA H 118 3.930 3.963 -0.033 1
1 662 . 46 1 1 A 58 58 LEU C C 118 179.400 178.325 1.075 1
1 663 . 46 1 1 A 58 58 LEU CA C 118 58.420 57.631 0.789 1
1 664 . 46 1 1 A 58 58 LEU CB C 118 43.170 41.455 1.715 1
1 668 . 46 1 1 A 58 58 LEU N N 118 123.590 120.085 3.505 1
1 669 . 46 1 1 A 59 59 ILE H H 119 8.360 7.716 0.644 1
1 670 . 46 1 1 A 59 59 ILE HA H 119 3.470 3.946 -0.476 1
1 680 . 46 1 1 A 59 59 ILE C C 119 177.290 178.006 -0.716 1
1 681 . 46 1 1 A 59 59 ILE CA C 119 65.260 63.536 1.724 1
1 682 . 46 1 1 A 59 59 ILE CB C 119 38.330 37.857 0.473 1
1 686 . 46 1 1 A 59 59 ILE N N 119 118.630 118.125 0.505 1
1 687 . 46 1 1 A 60 60 GLN H H 120 7.830 8.369 -0.539 1
1 688 . 46 1 1 A 60 60 GLN HA H 120 4.130 3.973 0.157 1
1 694 . 46 1 1 A 60 60 GLN C C 120 177.240 177.952 -0.712 1
1 695 . 46 1 1 A 60 60 GLN CA C 120 57.750 59.080 -1.330 1
1 696 . 46 1 1 A 60 60 GLN CB C 120 28.910 28.450 0.460 1
1 698 . 46 1 1 A 60 60 GLN N N 120 117.840 120.564 -2.724 1
1 700 . 46 1 1 A 61 61 SER H H 121 7.790 7.757 0.033 1
1 701 . 46 1 1 A 61 61 SER HA H 121 4.300 4.556 -0.256 1
1 703 . 46 1 1 A 61 61 SER C C 121 175.650 172.769 2.881 1
1 704 . 46 1 1 A 61 61 SER CA C 121 60.090 58.525 1.565 1
1 705 . 46 1 1 A 61 61 SER CB C 121 63.570 62.950 0.620 1
1 706 . 46 1 1 A 61 61 SER N N 121 115.460 112.852 2.608 1
1 707 . 46 1 1 A 62 62 VAL H H 122 8.020 7.703 0.317 1
1 708 . 46 1 1 A 62 62 VAL HA H 122 4.020 4.352 -0.332 1
1 716 . 46 1 1 A 62 62 VAL C C 122 176.960 175.822 1.138 1
1 717 . 46 1 1 A 62 62 VAL CA C 122 63.600 61.069 2.531 1
1 718 . 46 1 1 A 62 62 VAL CB C 122 32.300 32.520 -0.220 1
1 721 . 46 1 1 A 62 62 VAL N N 122 121.600 121.719 -0.119 1
1 722 . 46 1 1 A 63 63 ARG H H 123 8.130 8.805 -0.675 1
1 723 . 46 1 1 A 63 63 ARG HA H 123 4.190 3.794 0.396 1
1 729 . 46 1 1 A 63 63 ARG C C 123 176.490 176.030 0.460 1
1 730 . 46 1 1 A 63 63 ARG CA C 123 57.070 57.064 0.006 1
1 731 . 46 1 1 A 63 63 ARG CB C 123 30.780 27.249 3.531 1
1 734 . 46 1 1 A 63 63 ARG N N 123 122.770 127.676 -4.906 1
1 735 . 46 1 1 A 64 64 ASN H H 124 8.210 8.124 0.086 1
1 736 . 46 1 1 A 64 64 ASN HA H 124 4.650 5.008 -0.358 1
1 741 . 46 1 1 A 64 64 ASN C C 124 175.310 175.327 -0.017 1
1 742 . 46 1 1 A 64 64 ASN CA C 124 53.500 52.646 0.854 1
1 743 . 46 1 1 A 64 64 ASN CB C 124 38.840 39.934 -1.094 1
1 744 . 46 1 1 A 64 64 ASN N N 124 119.350 115.283 4.067 1
1 746 . 46 1 1 A 65 65 ARG H H 125 8.100 8.198 -0.098 1
1 747 . 46 1 1 A 65 65 ARG HA H 125 4.270 4.498 -0.228 1
1 752 . 46 1 1 A 65 65 ARG C C 125 176.310 175.089 1.221 1
1 753 . 46 1 1 A 65 65 ARG CA C 125 56.580 57.390 -0.810 1
1 754 . 46 1 1 A 65 65 ARG CB C 125 30.810 32.569 -1.759 1
1 757 . 46 1 1 A 65 65 ARG N N 125 122.230 120.253 1.977 1
1 758 . 46 1 1 A 66 66 ARG H H 126 8.260 7.973 0.287 1
1 759 . 46 1 1 A 66 66 ARG HA H 126 4.270 4.697 -0.427 1
1 764 . 46 1 1 A 66 66 ARG C C 126 176.210 174.467 1.743 1
1 765 . 46 1 1 A 66 66 ARG CA C 126 56.190 53.960 2.230 1
1 766 . 46 1 1 A 66 66 ARG CB C 126 30.810 33.484 -2.674 1
1 769 . 46 1 1 A 66 66 ARG N N 126 122.760 118.956 3.804 1
1 770 . 46 1 1 A 67 67 LYS H H 127 8.270 8.298 -0.028 1
1 771 . 46 1 1 A 67 67 LYS HA H 127 4.260 4.724 -0.464 1
1 776 . 46 1 1 A 67 67 LYS C C 127 176.450 174.898 1.552 1
1 777 . 46 1 1 A 67 67 LYS CA C 127 56.320 55.568 0.752 1
1 778 . 46 1 1 A 67 67 LYS CB C 127 33.180 33.883 -0.703 1
1 782 . 46 1 1 A 67 67 LYS N N 127 123.620 119.848 3.772 1
1 783 . 46 1 1 A 68 68 ARG H H 128 8.340 8.571 -0.231 1
1 784 . 46 1 1 A 68 68 ARG HA H 128 4.270 4.656 -0.386 1
1 788 . 46 1 1 A 68 68 ARG C C 128 176.250 176.015 0.235 1
1 789 . 46 1 1 A 68 68 ARG CA C 128 56.130 55.250 0.880 1
1 790 . 46 1 1 A 68 68 ARG CB C 128 31.060 30.098 0.962 1
1 793 . 46 1 1 A 68 68 ARG N N 128 123.750 119.444 4.306 1
1 794 . 46 1 1 A 69 69 LYS H H 129 8.450 7.936 0.514 1
1 795 . 46 1 1 A 69 69 LYS HA H 129 4.250 4.592 -0.342 1
1 800 . 46 1 1 A 69 69 LYS C C 129 177.010 175.536 1.474 1
1 801 . 46 1 1 A 69 69 LYS CA C 129 57.000 55.394 1.606 1
1 802 . 46 1 1 A 69 69 LYS CB C 129 32.940 33.106 -0.166 1
1 806 . 46 1 1 A 69 69 LYS N N 129 124.580 119.549 5.031 1
1 807 . 46 1 1 A 70 70 GLY H H 130 8.500 7.683 0.817 1
1 808 . 46 1 1 A 70 70 GLY HA2 H 130 3.910 4.163 -0.253 1
1 809 . 46 1 1 A 70 70 GLY HA3 H 130 4.010 4.163 -0.153 1
1 810 . 46 1 1 A 70 70 GLY C C 130 173.360 174.282 -0.922 1
1 811 . 46 1 1 A 70 70 GLY CA C 130 45.370 45.085 0.285 1
1 812 . 46 1 1 A 70 70 GLY N N 130 112.470 108.335 4.135 1
1 6 . 47 1 1 A 2 2 ASN HA H 62 4.610 4.873 -0.263 1
1 10 . 47 1 1 A 2 2 ASN C C 62 174.760 175.781 -1.021 1
1 11 . 47 1 1 A 2 2 ASN CA C 62 53.100 53.167 -0.067 1
1 12 . 47 1 1 A 2 2 ASN CB C 62 38.790 39.145 -0.355 1
1 14 . 47 1 1 A 3 3 ALA H H 63 8.300 7.968 0.332 1
1 15 . 47 1 1 A 3 3 ALA HA H 63 4.200 4.421 -0.221 1
1 19 . 47 1 1 A 3 3 ALA C C 63 178.180 177.960 0.220 1
1 20 . 47 1 1 A 3 3 ALA CA C 63 53.070 51.241 1.829 1
1 21 . 47 1 1 A 3 3 ALA CB C 63 18.960 20.406 -1.446 1
1 22 . 47 1 1 A 3 3 ALA N N 63 125.390 121.977 3.413 1
1 23 . 47 1 1 A 4 4 GLY H H 64 8.340 7.864 0.476 1
1 24 . 47 1 1 A 4 4 GLY HA2 H 64 3.800 3.896 -0.096 1
1 25 . 47 1 1 A 4 4 GLY HA3 H 64 3.860 3.900 -0.040 1
1 26 . 47 1 1 A 4 4 GLY C C 64 174.010 174.131 -0.121 1
1 27 . 47 1 1 A 4 4 GLY CA C 64 45.350 46.043 -0.693 1
1 28 . 47 1 1 A 4 4 GLY N N 64 109.300 106.560 2.740 1
1 29 . 47 1 1 A 5 5 GLN H H 65 7.950 7.512 0.438 1
1 30 . 47 1 1 A 5 5 GLN HA H 65 4.330 4.716 -0.386 1
1 35 . 47 1 1 A 5 5 GLN C C 65 175.560 174.693 0.867 1
1 36 . 47 1 1 A 5 5 GLN CA C 65 55.400 55.138 0.262 1
1 37 . 47 1 1 A 5 5 GLN CB C 65 29.860 30.993 -1.133 1
1 39 . 47 1 1 A 5 5 GLN N N 65 119.540 118.948 0.592 1
1 41 . 47 1 1 A 6 6 LEU H H 66 8.740 8.726 0.014 1
1 42 . 47 1 1 A 6 6 LEU HA H 66 4.610 5.097 -0.487 1
1 52 . 47 1 1 A 6 6 LEU C C 66 175.750 175.020 0.730 1
1 53 . 47 1 1 A 6 6 LEU CA C 66 54.010 53.333 0.677 1
1 54 . 47 1 1 A 6 6 LEU CB C 66 43.490 45.824 -2.334 1
1 58 . 47 1 1 A 6 6 LEU N N 66 126.120 121.080 5.040 1
1 59 . 47 1 1 A 7 7 CYS H H 67 8.470 8.794 -0.324 1
1 60 . 47 1 1 A 7 7 CYS HA H 67 4.140 4.445 -0.305 1
1 63 . 47 1 1 A 7 7 CYS C C 67 175.320 175.538 -0.218 1
1 64 . 47 1 1 A 7 7 CYS CA C 67 60.780 59.531 1.249 1
1 65 . 47 1 1 A 7 7 CYS CB C 67 32.850 28.687 4.163 1
1 66 . 47 1 1 A 7 7 CYS N N 67 123.170 122.426 0.744 1
1 67 . 47 1 1 A 8 8 CYS H H 68 8.170 8.708 -0.538 1
1 68 . 47 1 1 A 8 8 CYS HA H 68 4.280 4.839 -0.559 1
1 72 . 47 1 1 A 8 8 CYS C C 68 172.410 172.960 -0.550 1
1 73 . 47 1 1 A 8 8 CYS CA C 68 58.920 58.411 0.509 1
1 74 . 47 1 1 A 8 8 CYS CB C 68 28.920 28.641 0.279 1
1 75 . 47 1 1 A 8 8 CYS N N 68 124.700 122.897 1.803 1
1 76 . 47 1 1 A 9 9 LEU H H 69 8.180 7.222 0.958 1
1 77 . 47 1 1 A 9 9 LEU HA H 69 4.580 4.810 -0.230 1
1 87 . 47 1 1 A 9 9 LEU C C 69 176.770 176.054 0.716 1
1 88 . 47 1 1 A 9 9 LEU CA C 69 54.760 53.395 1.365 1
1 89 . 47 1 1 A 9 9 LEU CB C 69 43.150 45.565 -2.415 1
1 93 . 47 1 1 A 9 9 LEU N N 69 122.650 122.755 -0.105 1
1 94 . 47 1 1 A 10 10 ARG H H 70 8.880 8.325 0.555 1
1 95 . 47 1 1 A 10 10 ARG HA H 70 4.770 5.133 -0.363 1
1 102 . 47 1 1 A 10 10 ARG C C 70 174.900 174.286 0.614 1
1 103 . 47 1 1 A 10 10 ARG CA C 70 54.710 54.142 0.568 1
1 104 . 47 1 1 A 10 10 ARG CB C 70 33.390 32.059 1.331 1
1 107 . 47 1 1 A 10 10 ARG N N 70 117.650 120.803 -3.153 1
1 108 . 47 1 1 A 11 11 GLU H H 71 8.640 9.380 -0.740 1
1 109 . 47 1 1 A 11 11 GLU HA H 71 5.090 4.585 0.505 1
1 113 . 47 1 1 A 11 11 GLU C C 71 176.070 175.906 0.164 1
1 114 . 47 1 1 A 11 11 GLU CA C 71 54.270 55.808 -1.538 1
1 115 . 47 1 1 A 11 11 GLU CB C 71 32.460 31.518 0.942 1
1 117 . 47 1 1 A 11 11 GLU N N 71 123.910 125.111 -1.201 1
1 118 . 47 1 1 A 12 12 ASP H H 72 9.510 9.275 0.235 1
1 119 . 47 1 1 A 12 12 ASP HA H 72 4.270 4.376 -0.106 1
1 122 . 47 1 1 A 12 12 ASP C C 72 175.890 176.270 -0.380 1
1 123 . 47 1 1 A 12 12 ASP CA C 72 55.880 55.283 0.597 1
1 124 . 47 1 1 A 12 12 ASP CB C 72 39.910 39.723 0.187 1
1 125 . 47 1 1 A 12 12 ASP N N 72 129.440 128.188 1.252 1
1 126 . 47 1 1 A 13 13 GLY H H 73 8.970 8.639 0.331 1
1 127 . 47 1 1 A 13 13 GLY HA2 H 73 3.520 3.848 -0.328 1
1 128 . 47 1 1 A 13 13 GLY HA3 H 73 4.200 3.851 0.349 1
1 129 . 47 1 1 A 13 13 GLY C C 73 173.960 173.709 0.251 1
1 130 . 47 1 1 A 13 13 GLY CA C 73 45.350 45.403 -0.053 1
1 131 . 47 1 1 A 13 13 GLY N N 73 103.500 103.740 -0.240 1
1 132 . 47 1 1 A 14 14 GLU H H 74 7.660 8.659 -0.999 1
1 133 . 47 1 1 A 14 14 GLU HA H 74 4.640 4.673 -0.033 1
1 138 . 47 1 1 A 14 14 GLU C C 74 176.170 175.952 0.218 1
1 139 . 47 1 1 A 14 14 GLU CA C 74 54.460 54.758 -0.298 1
1 140 . 47 1 1 A 14 14 GLU CB C 74 32.050 31.560 0.490 1
1 142 . 47 1 1 A 14 14 GLU N N 74 121.330 120.441 0.889 1
1 143 . 47 1 1 A 15 15 ARG H H 75 9.000 8.304 0.696 1
1 144 . 47 1 1 A 15 15 ARG HA H 75 4.120 4.332 -0.212 1
1 150 . 47 1 1 A 15 15 ARG C C 75 175.230 176.179 -0.949 1
1 151 . 47 1 1 A 15 15 ARG CA C 75 56.640 56.987 -0.347 1
1 152 . 47 1 1 A 15 15 ARG CB C 75 29.720 30.797 -1.077 1
1 155 . 47 1 1 A 15 15 ARG N N 75 127.990 122.291 5.699 1
1 156 . 47 1 1 A 16 16 CYS H H 76 8.870 8.530 0.340 1
1 157 . 47 1 1 A 16 16 CYS HA H 76 4.170 4.545 -0.375 1
1 160 . 47 1 1 A 16 16 CYS CA C 76 61.840 58.340 3.500 1
1 161 . 47 1 1 A 16 16 CYS CB C 76 31.150 29.327 1.823 1
1 162 . 47 1 1 A 16 16 CYS N N 76 131.840 122.138 9.702 1
1 163 . 47 1 1 A 17 17 GLY H H 77 8.530 8.106 0.424 1
1 164 . 47 1 1 A 17 17 GLY HA2 H 77 3.680 4.101 -0.421 1
1 165 . 47 1 1 A 17 17 GLY HA3 H 77 4.340 4.140 0.200 1
1 166 . 47 1 1 A 17 17 GLY C C 77 174.620 173.252 1.368 1
1 167 . 47 1 1 A 17 17 GLY CA C 77 45.110 45.635 -0.525 1
1 168 . 47 1 1 A 17 17 GLY N N 77 111.930 109.507 2.423 1
1 169 . 47 1 1 A 18 18 ARG H H 78 8.960 7.618 1.342 1
1 170 . 47 1 1 A 18 18 ARG HA H 78 4.290 4.836 -0.546 1
1 177 . 47 1 1 A 18 18 ARG C C 78 175.270 174.146 1.124 1
1 178 . 47 1 1 A 18 18 ARG CA C 78 56.350 54.705 1.645 1
1 179 . 47 1 1 A 18 18 ARG CB C 78 31.310 33.877 -2.567 1
1 182 . 47 1 1 A 18 18 ARG N N 78 124.390 120.480 3.910 1
1 183 . 47 1 1 A 19 19 ALA H H 79 8.340 8.569 -0.229 1
1 184 . 47 1 1 A 19 19 ALA HA H 79 4.170 4.656 -0.486 1
1 188 . 47 1 1 A 19 19 ALA C C 79 177.620 177.466 0.154 1
1 189 . 47 1 1 A 19 19 ALA CA C 79 52.710 52.196 0.514 1
1 190 . 47 1 1 A 19 19 ALA CB C 79 18.710 19.169 -0.459 1
1 191 . 47 1 1 A 19 19 ALA N N 79 123.880 127.734 -3.854 1
1 192 . 47 1 1 A 20 20 ALA H H 80 8.470 8.673 -0.203 1
1 193 . 47 1 1 A 20 20 ALA HA H 80 3.540 4.677 -1.137 1
1 197 . 47 1 1 A 20 20 ALA C C 80 177.560 177.736 -0.176 1
1 198 . 47 1 1 A 20 20 ALA CA C 80 52.840 51.554 1.286 1
1 199 . 47 1 1 A 20 20 ALA CB C 80 19.050 19.939 -0.889 1
1 200 . 47 1 1 A 20 20 ALA N N 80 124.580 122.983 1.597 1
1 201 . 47 1 1 A 21 21 GLY H H 81 8.090 9.011 -0.921 1
1 202 . 47 1 1 A 21 21 GLY HA2 H 81 3.800 4.288 -0.488 1
1 203 . 47 1 1 A 21 21 GLY HA3 H 81 4.430 4.320 0.110 1
1 204 . 47 1 1 A 21 21 GLY C C 81 173.170 175.047 -1.877 1
1 205 . 47 1 1 A 21 21 GLY CA C 81 44.390 44.190 0.200 1
1 206 . 47 1 1 A 21 21 GLY N N 81 114.000 106.726 7.274 1
1 207 . 47 1 1 A 22 22 ASN H H 82 8.690 8.917 -0.227 1
1 208 . 47 1 1 A 22 22 ASN HA H 82 4.650 4.676 -0.026 1
1 213 . 47 1 1 A 22 22 ASN C C 82 176.260 175.653 0.607 1
1 214 . 47 1 1 A 22 22 ASN CA C 82 53.580 54.586 -1.006 1
1 215 . 47 1 1 A 22 22 ASN CB C 82 39.580 38.823 0.757 1
1 216 . 47 1 1 A 22 22 ASN N N 82 118.160 118.201 -0.041 1
1 218 . 47 1 1 A 23 23 ALA H H 83 8.720 7.620 1.100 1
1 219 . 47 1 1 A 23 23 ALA HA H 83 4.570 4.430 0.140 1
1 223 . 47 1 1 A 23 23 ALA C C 83 175.910 177.169 -1.259 1
1 224 . 47 1 1 A 23 23 ALA CA C 83 52.340 52.777 -0.437 1
1 225 . 47 1 1 A 23 23 ALA CB C 83 19.370 19.611 -0.241 1
1 226 . 47 1 1 A 23 23 ALA N N 83 125.180 121.900 3.280 1
1 227 . 47 1 1 A 24 24 SER H H 84 7.970 8.670 -0.700 1
1 228 . 47 1 1 A 24 24 SER HA H 84 5.310 5.139 0.171 1
1 230 . 47 1 1 A 24 24 SER C C 84 174.620 173.259 1.361 1
1 231 . 47 1 1 A 24 24 SER CA C 84 56.550 57.263 -0.713 1
1 232 . 47 1 1 A 24 24 SER CB C 84 66.420 65.585 0.835 1
1 233 . 47 1 1 A 24 24 SER N N 84 112.840 117.244 -4.404 1
1 234 . 47 1 1 A 25 25 PHE H H 85 9.580 8.911 0.669 1
1 235 . 47 1 1 A 25 25 PHE HA H 85 4.320 4.530 -0.210 1
1 241 . 47 1 1 A 25 25 PHE C C 85 173.430 175.087 -1.657 1
1 242 . 47 1 1 A 25 25 PHE CA C 85 57.780 59.313 -1.533 1
1 243 . 47 1 1 A 25 25 PHE CB C 85 38.780 39.432 -0.652 1
1 247 . 47 1 1 A 25 25 PHE N N 85 125.520 127.204 -1.684 1
1 248 . 47 1 1 A 26 26 SER H H 86 6.780 8.030 -1.250 1
1 249 . 47 1 1 A 26 26 SER HA H 86 4.430 4.821 -0.391 1
1 252 . 47 1 1 A 26 26 SER C C 86 174.200 174.996 -0.796 1
1 253 . 47 1 1 A 26 26 SER CA C 86 56.610 56.150 0.460 1
1 254 . 47 1 1 A 26 26 SER CB C 86 66.010 65.023 0.987 1
1 255 . 47 1 1 A 26 26 SER N N 86 118.860 118.499 0.361 1
1 256 . 47 1 1 A 27 27 LYS H H 87 8.710 8.589 0.121 1
1 257 . 47 1 1 A 27 27 LYS HA H 87 3.850 3.816 0.034 1
1 263 . 47 1 1 A 27 27 LYS C C 87 178.490 178.921 -0.431 1
1 264 . 47 1 1 A 27 27 LYS CA C 87 59.390 58.964 0.426 1
1 265 . 47 1 1 A 27 27 LYS CB C 87 31.970 32.701 -0.731 1
1 269 . 47 1 1 A 27 27 LYS N N 87 121.790 118.943 2.847 1
1 270 . 47 1 1 A 28 28 ARG H H 88 8.010 7.783 0.227 1
1 271 . 47 1 1 A 28 28 ARG HA H 88 3.990 4.006 -0.016 1
1 277 . 47 1 1 A 28 28 ARG C C 88 178.890 178.609 0.281 1
1 278 . 47 1 1 A 28 28 ARG CA C 88 59.010 58.672 0.338 1
1 279 . 47 1 1 A 28 28 ARG CB C 88 30.120 29.859 0.261 1
1 282 . 47 1 1 A 28 28 ARG N N 88 119.520 119.778 -0.258 1
1 283 . 47 1 1 A 29 29 ILE H H 89 7.350 7.920 -0.570 1
1 284 . 47 1 1 A 29 29 ILE HA H 89 3.680 3.861 -0.181 1
1 294 . 47 1 1 A 29 29 ILE C C 89 177.620 177.850 -0.230 1
1 295 . 47 1 1 A 29 29 ILE CA C 89 63.170 65.072 -1.902 1
1 296 . 47 1 1 A 29 29 ILE CB C 89 36.900 36.755 0.145 1
1 300 . 47 1 1 A 29 29 ILE N N 89 121.980 119.834 2.146 1
1 301 . 47 1 1 A 30 30 GLN H H 90 7.990 7.814 0.176 1
1 302 . 47 1 1 A 30 30 GLN HA H 90 3.630 3.875 -0.245 1
1 308 . 47 1 1 A 30 30 GLN C C 90 178.320 178.383 -0.063 1
1 309 . 47 1 1 A 30 30 GLN CA C 90 59.200 59.272 -0.072 1
1 310 . 47 1 1 A 30 30 GLN CB C 90 28.700 28.127 0.573 1
1 312 . 47 1 1 A 30 30 GLN N N 90 121.020 120.764 0.256 1
1 314 . 47 1 1 A 31 31 LYS H H 91 7.990 8.098 -0.108 1
1 315 . 47 1 1 A 31 31 LYS HA H 91 4.090 4.023 0.067 1
1 321 . 47 1 1 A 31 31 LYS C C 91 178.650 178.936 -0.286 1
1 322 . 47 1 1 A 31 31 LYS CA C 91 58.720 59.273 -0.553 1
1 323 . 47 1 1 A 31 31 LYS CB C 91 32.220 32.193 0.027 1
1 327 . 47 1 1 A 31 31 LYS N N 91 119.520 118.856 0.664 1
1 328 . 47 1 1 A 32 32 SER H H 92 7.770 8.516 -0.746 1
1 329 . 47 1 1 A 32 32 SER HA H 92 4.320 4.163 0.157 1
1 332 . 47 1 1 A 32 32 SER C C 92 176.110 177.741 -1.631 1
1 333 . 47 1 1 A 32 32 SER CA C 92 61.260 61.417 -0.157 1
1 334 . 47 1 1 A 32 32 SER CB C 92 63.610 62.347 1.263 1
1 335 . 47 1 1 A 32 32 SER N N 92 116.310 114.523 1.787 1
1 336 . 47 1 1 A 33 33 ILE H H 93 7.960 7.787 0.173 1
1 337 . 47 1 1 A 33 33 ILE HA H 93 3.920 3.702 0.218 1
1 347 . 47 1 1 A 33 33 ILE C C 93 177.480 178.004 -0.524 1
1 348 . 47 1 1 A 33 33 ILE CA C 93 63.610 65.196 -1.586 1
1 349 . 47 1 1 A 33 33 ILE CB C 93 38.330 37.677 0.653 1
1 353 . 47 1 1 A 33 33 ILE N N 93 119.950 123.410 -3.460 1
1 354 . 47 1 1 A 34 34 SER H H 94 7.970 8.150 -0.180 1
1 355 . 47 1 1 A 34 34 SER HA H 94 4.390 4.151 0.239 1
1 357 . 47 1 1 A 34 34 SER C C 94 176.490 177.048 -0.558 1
1 358 . 47 1 1 A 34 34 SER CA C 94 60.560 61.161 -0.601 1
1 359 . 47 1 1 A 34 34 SER CB C 94 63.130 63.150 -0.020 1
1 360 . 47 1 1 A 34 34 SER N N 94 117.230 116.307 0.923 1
1 361 . 47 1 1 A 35 35 GLN H H 95 8.220 7.956 0.264 1
1 362 . 47 1 1 A 35 35 GLN HA H 95 4.260 4.059 0.201 1
1 369 . 47 1 1 A 35 35 GLN C C 95 177.050 178.310 -1.260 1
1 370 . 47 1 1 A 35 35 GLN CA C 95 57.360 58.870 -1.510 1
1 371 . 47 1 1 A 35 35 GLN CB C 95 28.900 28.478 0.422 1
1 373 . 47 1 1 A 35 35 GLN N N 95 121.530 120.197 1.333 1
1 375 . 47 1 1 A 36 36 LYS H H 96 7.870 7.658 0.212 1
1 376 . 47 1 1 A 36 36 LYS HA H 96 4.280 4.187 0.093 1
1 383 . 47 1 1 A 36 36 LYS C C 96 176.160 176.185 -0.025 1
1 384 . 47 1 1 A 36 36 LYS CA C 96 56.570 58.178 -1.608 1
1 385 . 47 1 1 A 36 36 LYS CB C 96 33.600 32.919 0.681 1
1 389 . 47 1 1 A 36 36 LYS N N 96 118.550 116.248 2.302 1
1 390 . 47 1 1 A 37 37 LYS H H 97 8.110 8.357 -0.247 1
1 391 . 47 1 1 A 37 37 LYS HA H 97 4.110 3.886 0.224 1
1 396 . 47 1 1 A 37 37 LYS C C 97 176.210 175.333 0.877 1
1 397 . 47 1 1 A 37 37 LYS CA C 97 57.230 56.996 0.234 1
1 398 . 47 1 1 A 37 37 LYS CB C 97 30.580 30.218 0.362 1
1 402 . 47 1 1 A 37 37 LYS N N 97 117.680 116.696 0.984 1
1 403 . 47 1 1 A 38 38 VAL H H 98 7.430 7.817 -0.387 1
1 404 . 47 1 1 A 38 38 VAL HA H 98 4.350 4.913 -0.563 1
1 412 . 47 1 1 A 38 38 VAL C C 98 175.830 174.655 1.175 1
1 413 . 47 1 1 A 38 38 VAL CA C 98 60.580 58.797 1.783 1
1 414 . 47 1 1 A 38 38 VAL CB C 98 33.410 35.810 -2.400 1
1 417 . 47 1 1 A 38 38 VAL N N 98 115.860 114.504 1.356 1
1 418 . 47 1 1 A 39 39 LYS H H 99 8.960 8.535 0.425 1
1 419 . 47 1 1 A 39 39 LYS HA H 99 4.430 4.552 -0.122 1
1 425 . 47 1 1 A 39 39 LYS C C 99 175.700 174.973 0.727 1
1 426 . 47 1 1 A 39 39 LYS CA C 99 55.420 55.707 -0.287 1
1 427 . 47 1 1 A 39 39 LYS CB C 99 30.580 31.226 -0.646 1
1 431 . 47 1 1 A 39 39 LYS N N 99 127.710 120.199 7.511 1
1 432 . 47 1 1 A 40 40 ILE H H 100 7.660 8.131 -0.471 1
1 433 . 47 1 1 A 40 40 ILE HA H 100 5.020 4.973 0.047 1
1 443 . 47 1 1 A 40 40 ILE C C 100 174.520 175.221 -0.701 1
1 444 . 47 1 1 A 40 40 ILE CA C 100 59.370 60.623 -1.253 1
1 445 . 47 1 1 A 40 40 ILE CB C 100 40.650 40.389 0.261 1
1 449 . 47 1 1 A 40 40 ILE N N 100 123.140 125.195 -2.055 1
1 450 . 47 1 1 A 41 41 GLU H H 101 8.490 9.026 -0.536 1
1 451 . 47 1 1 A 41 41 GLU HA H 101 4.620 5.104 -0.484 1
1 456 . 47 1 1 A 41 41 GLU C C 101 173.590 174.715 -1.125 1
1 457 . 47 1 1 A 41 41 GLU CA C 101 53.740 54.188 -0.448 1
1 458 . 47 1 1 A 41 41 GLU CB C 101 34.580 33.245 1.335 1
1 460 . 47 1 1 A 41 41 GLU N N 101 123.460 124.894 -1.434 1
1 461 . 47 1 1 A 42 42 LEU H H 102 8.490 8.322 0.168 1
1 462 . 47 1 1 A 42 42 LEU HA H 102 3.790 4.454 -0.664 1
1 472 . 47 1 1 A 42 42 LEU C C 102 176.440 175.928 0.512 1
1 473 . 47 1 1 A 42 42 LEU CA C 102 55.190 53.833 1.357 1
1 474 . 47 1 1 A 42 42 LEU CB C 102 43.100 43.802 -0.702 1
1 478 . 47 1 1 A 42 42 LEU N N 102 123.470 122.683 0.787 1
1 479 . 47 1 1 A 43 43 ASP H H 103 8.770 8.367 0.403 1
1 480 . 47 1 1 A 43 43 ASP HA H 103 4.520 4.622 -0.102 1
1 483 . 47 1 1 A 43 43 ASP C C 103 177.600 177.272 0.328 1
1 484 . 47 1 1 A 43 43 ASP CA C 103 53.740 54.498 -0.758 1
1 485 . 47 1 1 A 43 43 ASP CB C 103 41.880 41.888 -0.008 1
1 486 . 47 1 1 A 43 43 ASP N N 103 127.210 125.568 1.642 1
1 487 . 47 1 1 A 44 44 LYS H H 104 8.910 8.888 0.022 1
1 488 . 47 1 1 A 44 44 LYS HA H 104 3.920 4.020 -0.100 1
1 495 . 47 1 1 A 44 44 LYS C C 104 177.340 178.751 -1.411 1
1 496 . 47 1 1 A 44 44 LYS CA C 104 58.930 58.988 -0.058 1
1 497 . 47 1 1 A 44 44 LYS CB C 104 32.000 32.297 -0.297 1
1 501 . 47 1 1 A 44 44 LYS N N 104 129.080 127.444 1.636 1
1 502 . 47 1 1 A 45 45 SER H H 105 8.740 8.100 0.640 1
1 503 . 47 1 1 A 45 45 SER HA H 105 4.370 4.289 0.081 1
1 506 . 47 1 1 A 45 45 SER C C 105 175.040 175.156 -0.116 1
1 507 . 47 1 1 A 45 45 SER CA C 105 59.150 60.666 -1.516 1
1 508 . 47 1 1 A 45 45 SER CB C 105 63.830 62.712 1.118 1
1 509 . 47 1 1 A 45 45 SER N N 105 115.270 112.809 2.461 1
1 510 . 47 1 1 A 46 46 ALA H H 106 7.430 7.072 0.358 1
1 511 . 47 1 1 A 46 46 ALA HA H 106 4.150 4.118 0.032 1
1 515 . 47 1 1 A 46 46 ALA CA C 106 53.300 52.709 0.591 1
1 516 . 47 1 1 A 46 46 ALA CB C 106 19.190 19.831 -0.641 1
1 517 . 47 1 1 A 46 46 ALA N N 106 125.120 125.315 -0.195 1
1 518 . 47 1 1 A 47 47 ARG HA H 107 4.280 4.626 -0.346 1
1 526 . 47 1 1 A 48 48 HIS HA H 108 4.650 5.092 -0.442 1
1 531 . 47 1 1 A 48 48 HIS C C 108 173.160 173.788 -0.628 1
1 532 . 47 1 1 A 48 48 HIS CA C 108 54.990 53.394 1.596 1
1 533 . 47 1 1 A 48 48 HIS CB C 108 33.400 32.987 0.413 1
1 538 . 47 1 1 A 49 49 LEU H H 109 8.030 8.629 -0.599 1
1 539 . 47 1 1 A 49 49 LEU HA H 109 5.040 4.735 0.305 1
1 549 . 47 1 1 A 49 49 LEU CA C 109 54.480 54.141 0.339 1
1 550 . 47 1 1 A 49 49 LEU CB C 109 43.010 43.302 -0.292 1
1 554 . 47 1 1 A 49 49 LEU N N 109 120.130 119.600 0.530 1
1 555 . 47 1 1 A 50 50 TYR HA H 110 5.020 5.190 -0.170 1
1 560 . 47 1 1 A 50 50 TYR C C 110 176.960 175.795 1.165 1
1 561 . 47 1 1 A 50 50 TYR CA C 110 60.340 56.721 3.619 1
1 562 . 47 1 1 A 50 50 TYR CB C 110 39.210 40.707 -1.497 1
1 565 . 47 1 1 A 51 51 ILE H H 111 8.510 8.866 -0.356 1
1 566 . 47 1 1 A 51 51 ILE HA H 111 5.960 4.544 1.416 1
1 576 . 47 1 1 A 51 51 ILE C C 111 177.900 176.264 1.636 1
1 577 . 47 1 1 A 51 51 ILE CA C 111 58.100 59.725 -1.625 1
1 578 . 47 1 1 A 51 51 ILE CB C 111 41.370 39.569 1.801 1
1 582 . 47 1 1 A 51 51 ILE N N 111 115.050 121.822 -6.772 1
1 583 . 47 1 1 A 52 52 CYS H H 112 9.830 8.608 1.222 1
1 584 . 47 1 1 A 52 52 CYS HA H 112 5.000 5.010 -0.010 1
1 587 . 47 1 1 A 52 52 CYS C C 112 175.420 175.611 -0.191 1
1 588 . 47 1 1 A 52 52 CYS CA C 112 57.770 56.549 1.221 1
1 589 . 47 1 1 A 52 52 CYS CB C 112 33.120 30.052 3.068 1
1 590 . 47 1 1 A 52 52 CYS N N 112 125.820 121.530 4.290 1
1 591 . 47 1 1 A 53 53 ASP H H 113 9.000 9.029 -0.029 1
1 592 . 47 1 1 A 53 53 ASP HA H 113 4.510 4.335 0.175 1
1 594 . 47 1 1 A 53 53 ASP C C 113 178.140 177.579 0.561 1
1 595 . 47 1 1 A 53 53 ASP CA C 113 57.330 57.109 0.221 1
1 596 . 47 1 1 A 53 53 ASP CB C 113 39.730 40.498 -0.768 1
1 597 . 47 1 1 A 53 53 ASP N N 113 121.960 121.788 0.172 1
1 598 . 47 1 1 A 54 54 TYR H H 114 8.220 8.035 0.185 1
1 599 . 47 1 1 A 54 54 TYR HA H 114 4.100 4.199 -0.099 1
1 604 . 47 1 1 A 54 54 TYR C C 114 178.410 177.267 1.143 1
1 605 . 47 1 1 A 54 54 TYR CA C 114 61.970 61.658 0.312 1
1 606 . 47 1 1 A 54 54 TYR CB C 114 37.150 39.194 -2.044 1
1 609 . 47 1 1 A 54 54 TYR N N 114 123.510 120.761 2.749 1
1 610 . 47 1 1 A 55 55 HIS H H 115 10.090 7.875 2.215 1
1 611 . 47 1 1 A 55 55 HIS HA H 115 4.040 4.227 -0.187 1
1 616 . 47 1 1 A 55 55 HIS C C 115 177.240 177.535 -0.295 1
1 617 . 47 1 1 A 55 55 HIS CA C 115 63.870 59.734 4.136 1
1 618 . 47 1 1 A 55 55 HIS CB C 115 29.600 29.950 -0.350 1
1 621 . 47 1 1 A 55 55 HIS N N 115 124.830 117.079 7.751 1
1 624 . 47 1 1 A 56 56 LYS H H 116 8.830 8.349 0.481 1
1 625 . 47 1 1 A 56 56 LYS HA H 116 3.720 3.890 -0.170 1
1 633 . 47 1 1 A 56 56 LYS C C 116 178.140 179.007 -0.867 1
1 634 . 47 1 1 A 56 56 LYS CA C 116 60.590 59.989 0.601 1
1 635 . 47 1 1 A 56 56 LYS CB C 116 32.230 32.577 -0.347 1
1 639 . 47 1 1 A 56 56 LYS N N 116 123.340 120.438 2.902 1
1 640 . 47 1 1 A 57 57 ASN H H 117 8.140 8.106 0.034 1
1 641 . 47 1 1 A 57 57 ASN HA H 117 4.340 4.500 -0.160 1
1 646 . 47 1 1 A 57 57 ASN C C 117 177.570 177.440 0.130 1
1 647 . 47 1 1 A 57 57 ASN CA C 117 55.890 56.029 -0.139 1
1 648 . 47 1 1 A 57 57 ASN CB C 117 38.070 38.526 -0.456 1
1 649 . 47 1 1 A 57 57 ASN N N 117 116.920 118.356 -1.436 1
1 651 . 47 1 1 A 58 58 LEU H H 118 7.890 7.677 0.213 1
1 652 . 47 1 1 A 58 58 LEU HA H 118 3.930 3.947 -0.017 1
1 662 . 47 1 1 A 58 58 LEU C C 118 179.400 178.645 0.755 1
1 663 . 47 1 1 A 58 58 LEU CA C 118 58.420 57.881 0.539 1
1 664 . 47 1 1 A 58 58 LEU CB C 118 43.170 41.675 1.495 1
1 668 . 47 1 1 A 58 58 LEU N N 118 123.590 120.078 3.512 1
1 669 . 47 1 1 A 59 59 ILE H H 119 8.360 7.728 0.632 1
1 670 . 47 1 1 A 59 59 ILE HA H 119 3.470 3.953 -0.483 1
1 680 . 47 1 1 A 59 59 ILE C C 119 177.290 178.276 -0.986 1
1 681 . 47 1 1 A 59 59 ILE CA C 119 65.260 63.918 1.342 1
1 682 . 47 1 1 A 59 59 ILE CB C 119 38.330 38.231 0.099 1
1 686 . 47 1 1 A 59 59 ILE N N 119 118.630 118.705 -0.075 1
1 687 . 47 1 1 A 60 60 GLN H H 120 7.830 8.357 -0.527 1
1 688 . 47 1 1 A 60 60 GLN HA H 120 4.130 3.989 0.141 1
1 694 . 47 1 1 A 60 60 GLN C C 120 177.240 177.617 -0.377 1
1 695 . 47 1 1 A 60 60 GLN CA C 120 57.750 59.013 -1.263 1
1 696 . 47 1 1 A 60 60 GLN CB C 120 28.910 28.203 0.707 1
1 698 . 47 1 1 A 60 60 GLN N N 120 117.840 119.826 -1.986 1
1 700 . 47 1 1 A 61 61 SER H H 121 7.790 7.722 0.068 1
1 701 . 47 1 1 A 61 61 SER HA H 121 4.300 4.823 -0.523 1
1 703 . 47 1 1 A 61 61 SER C C 121 175.650 174.915 0.735 1
1 704 . 47 1 1 A 61 61 SER CA C 121 60.090 59.422 0.668 1
1 705 . 47 1 1 A 61 61 SER CB C 121 63.570 63.403 0.167 1
1 706 . 47 1 1 A 61 61 SER N N 121 115.460 114.053 1.407 1
1 707 . 47 1 1 A 62 62 VAL H H 122 8.020 7.486 0.534 1
1 708 . 47 1 1 A 62 62 VAL HA H 122 4.020 3.865 0.155 1
1 716 . 47 1 1 A 62 62 VAL C C 122 176.960 176.913 0.047 1
1 717 . 47 1 1 A 62 62 VAL CA C 122 63.600 65.694 -2.094 1
1 718 . 47 1 1 A 62 62 VAL CB C 122 32.300 31.786 0.514 1
1 721 . 47 1 1 A 62 62 VAL N N 122 121.600 120.436 1.164 1
1 722 . 47 1 1 A 63 63 ARG H H 123 8.130 7.753 0.377 1
1 723 . 47 1 1 A 63 63 ARG HA H 123 4.190 4.438 -0.248 1
1 729 . 47 1 1 A 63 63 ARG C C 123 176.490 175.695 0.795 1
1 730 . 47 1 1 A 63 63 ARG CA C 123 57.070 56.144 0.926 1
1 731 . 47 1 1 A 63 63 ARG CB C 123 30.780 31.218 -0.438 1
1 734 . 47 1 1 A 63 63 ARG N N 123 122.770 118.283 4.487 1
1 735 . 47 1 1 A 64 64 ASN H H 124 8.210 7.662 0.548 1
1 736 . 47 1 1 A 64 64 ASN HA H 124 4.650 5.078 -0.428 1
1 741 . 47 1 1 A 64 64 ASN C C 124 175.310 173.933 1.377 1
1 742 . 47 1 1 A 64 64 ASN CA C 124 53.500 52.790 0.710 1
1 743 . 47 1 1 A 64 64 ASN CB C 124 38.840 40.710 -1.870 1
1 744 . 47 1 1 A 64 64 ASN N N 124 119.350 117.475 1.875 1
1 746 . 47 1 1 A 65 65 ARG H H 125 8.100 8.758 -0.658 1
1 747 . 47 1 1 A 65 65 ARG HA H 125 4.270 4.519 -0.249 1
1 752 . 47 1 1 A 65 65 ARG C C 125 176.310 175.046 1.264 1
1 753 . 47 1 1 A 65 65 ARG CA C 125 56.580 55.783 0.797 1
1 754 . 47 1 1 A 65 65 ARG CB C 125 30.810 32.011 -1.201 1
1 757 . 47 1 1 A 65 65 ARG N N 125 122.230 126.902 -4.672 1
1 758 . 47 1 1 A 66 66 ARG H H 126 8.260 8.326 -0.066 1
1 759 . 47 1 1 A 66 66 ARG HA H 126 4.270 4.958 -0.688 1
1 764 . 47 1 1 A 66 66 ARG C C 126 176.210 175.272 0.938 1
1 765 . 47 1 1 A 66 66 ARG CA C 126 56.190 54.177 2.013 1
1 766 . 47 1 1 A 66 66 ARG CB C 126 30.810 34.147 -3.337 1
1 769 . 47 1 1 A 66 66 ARG N N 126 122.760 119.024 3.736 1
1 770 . 47 1 1 A 67 67 LYS H H 127 8.270 8.493 -0.223 1
1 771 . 47 1 1 A 67 67 LYS HA H 127 4.260 5.048 -0.788 1
1 776 . 47 1 1 A 67 67 LYS C C 127 176.450 175.658 0.792 1
1 777 . 47 1 1 A 67 67 LYS CA C 127 56.320 54.884 1.436 1
1 778 . 47 1 1 A 67 67 LYS CB C 127 33.180 34.521 -1.341 1
1 782 . 47 1 1 A 67 67 LYS N N 127 123.620 119.994 3.626 1
1 783 . 47 1 1 A 68 68 ARG H H 128 8.340 8.700 -0.360 1
1 784 . 47 1 1 A 68 68 ARG HA H 128 4.270 4.507 -0.237 1
1 788 . 47 1 1 A 68 68 ARG C C 128 176.250 175.984 0.266 1
1 789 . 47 1 1 A 68 68 ARG CA C 128 56.130 56.006 0.124 1
1 790 . 47 1 1 A 68 68 ARG CB C 128 31.060 32.963 -1.903 1
1 793 . 47 1 1 A 68 68 ARG N N 128 123.750 124.426 -0.676 1
1 794 . 47 1 1 A 69 69 LYS H H 129 8.450 7.981 0.469 1
1 795 . 47 1 1 A 69 69 LYS HA H 129 4.250 3.987 0.263 1
1 800 . 47 1 1 A 69 69 LYS C C 129 177.010 176.178 0.832 1
1 801 . 47 1 1 A 69 69 LYS CA C 129 57.000 57.371 -0.371 1
1 802 . 47 1 1 A 69 69 LYS CB C 129 32.940 28.829 4.111 1
1 806 . 47 1 1 A 69 69 LYS N N 129 124.580 116.009 8.571 1
1 807 . 47 1 1 A 70 70 GLY H H 130 8.500 8.331 0.169 1
1 808 . 47 1 1 A 70 70 GLY HA2 H 130 3.910 3.988 -0.078 1
1 809 . 47 1 1 A 70 70 GLY HA3 H 130 4.010 3.988 0.022 1
1 810 . 47 1 1 A 70 70 GLY C C 130 173.360 174.419 -1.059 1
1 811 . 47 1 1 A 70 70 GLY CA C 130 45.370 45.313 0.057 1
1 812 . 47 1 1 A 70 70 GLY N N 130 112.470 105.551 6.919 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 65 0.916 1
2 1 1 1 "RMS(OBS, PRED)" CA 68 1.161 1
3 1 1 1 "RMS(OBS, PRED)" CB 63 1.421 1
4 1 1 1 "RMS(OBS, PRED)" H 65 0.591 1
5 1 1 1 "RMS(OBS, PRED)" HA 74 0.336 1
6 1 1 1 "RMS(OBS, PRED)" N 65 3.016 1
7 1 2 1 "RMS(OBS, PRED)" C 65 0.912 1
8 1 2 1 "RMS(OBS, PRED)" CA 68 1.244 1
9 1 2 1 "RMS(OBS, PRED)" CB 63 1.455 1
10 1 2 1 "RMS(OBS, PRED)" H 65 0.623 1
11 1 2 1 "RMS(OBS, PRED)" HA 74 0.339 1
12 1 2 1 "RMS(OBS, PRED)" N 65 2.965 1
13 1 3 1 "RMS(OBS, PRED)" C 65 1.006 1
14 1 3 1 "RMS(OBS, PRED)" CA 68 1.282 1
15 1 3 1 "RMS(OBS, PRED)" CB 63 1.385 1
16 1 3 1 "RMS(OBS, PRED)" H 65 0.622 1
17 1 3 1 "RMS(OBS, PRED)" HA 74 0.363 1
18 1 3 1 "RMS(OBS, PRED)" N 65 2.933 1
19 1 4 1 "RMS(OBS, PRED)" C 65 0.865 1
20 1 4 1 "RMS(OBS, PRED)" CA 68 1.307 1
21 1 4 1 "RMS(OBS, PRED)" CB 63 1.365 1
22 1 4 1 "RMS(OBS, PRED)" H 65 0.565 1
23 1 4 1 "RMS(OBS, PRED)" HA 74 0.335 1
24 1 4 1 "RMS(OBS, PRED)" N 65 3.019 1
25 1 5 1 "RMS(OBS, PRED)" C 65 0.851 1
26 1 5 1 "RMS(OBS, PRED)" CA 68 1.253 1
27 1 5 1 "RMS(OBS, PRED)" CB 63 1.330 1
28 1 5 1 "RMS(OBS, PRED)" H 65 0.613 1
29 1 5 1 "RMS(OBS, PRED)" HA 74 0.354 1
30 1 5 1 "RMS(OBS, PRED)" N 65 3.165 1
31 1 6 1 "RMS(OBS, PRED)" C 65 0.912 1
32 1 6 1 "RMS(OBS, PRED)" CA 68 1.288 1
33 1 6 1 "RMS(OBS, PRED)" CB 63 1.377 1
34 1 6 1 "RMS(OBS, PRED)" H 65 0.598 1
35 1 6 1 "RMS(OBS, PRED)" HA 74 0.356 1
36 1 6 1 "RMS(OBS, PRED)" N 65 3.157 1
37 1 7 1 "RMS(OBS, PRED)" C 65 0.861 1
38 1 7 1 "RMS(OBS, PRED)" CA 68 1.129 1
39 1 7 1 "RMS(OBS, PRED)" CB 63 1.244 1
40 1 7 1 "RMS(OBS, PRED)" H 65 0.621 1
41 1 7 1 "RMS(OBS, PRED)" HA 74 0.349 1
42 1 7 1 "RMS(OBS, PRED)" N 65 2.976 1
43 1 8 1 "RMS(OBS, PRED)" C 65 1.097 1
44 1 8 1 "RMS(OBS, PRED)" CA 68 1.269 1
45 1 8 1 "RMS(OBS, PRED)" CB 63 1.505 1
46 1 8 1 "RMS(OBS, PRED)" H 65 0.573 1
47 1 8 1 "RMS(OBS, PRED)" HA 74 0.357 1
48 1 8 1 "RMS(OBS, PRED)" N 65 3.005 1
49 1 9 1 "RMS(OBS, PRED)" C 65 0.886 1
50 1 9 1 "RMS(OBS, PRED)" CA 68 1.277 1
51 1 9 1 "RMS(OBS, PRED)" CB 63 1.405 1
52 1 9 1 "RMS(OBS, PRED)" H 65 0.596 1
53 1 9 1 "RMS(OBS, PRED)" HA 74 0.325 1
54 1 9 1 "RMS(OBS, PRED)" N 65 3.042 1
55 1 10 1 "RMS(OBS, PRED)" C 65 0.890 1
56 1 10 1 "RMS(OBS, PRED)" CA 68 1.329 1
57 1 10 1 "RMS(OBS, PRED)" CB 63 1.356 1
58 1 10 1 "RMS(OBS, PRED)" H 65 0.596 1
59 1 10 1 "RMS(OBS, PRED)" HA 74 0.323 1
60 1 10 1 "RMS(OBS, PRED)" N 65 3.406 1
61 1 11 1 "RMS(OBS, PRED)" C 65 0.869 1
62 1 11 1 "RMS(OBS, PRED)" CA 68 1.269 1
63 1 11 1 "RMS(OBS, PRED)" CB 63 1.501 1
64 1 11 1 "RMS(OBS, PRED)" H 65 0.560 1
65 1 11 1 "RMS(OBS, PRED)" HA 74 0.345 1
66 1 11 1 "RMS(OBS, PRED)" N 65 2.856 1
67 1 12 1 "RMS(OBS, PRED)" C 65 0.856 1
68 1 12 1 "RMS(OBS, PRED)" CA 68 1.224 1
69 1 12 1 "RMS(OBS, PRED)" CB 63 1.345 1
70 1 12 1 "RMS(OBS, PRED)" H 65 0.611 1
71 1 12 1 "RMS(OBS, PRED)" HA 74 0.341 1
72 1 12 1 "RMS(OBS, PRED)" N 65 3.536 1
73 1 13 1 "RMS(OBS, PRED)" C 65 0.900 1
74 1 13 1 "RMS(OBS, PRED)" CA 68 1.374 1
75 1 13 1 "RMS(OBS, PRED)" CB 63 1.259 1
76 1 13 1 "RMS(OBS, PRED)" H 65 0.587 1
77 1 13 1 "RMS(OBS, PRED)" HA 74 0.318 1
78 1 13 1 "RMS(OBS, PRED)" N 65 3.385 1
79 1 14 1 "RMS(OBS, PRED)" C 65 0.782 1
80 1 14 1 "RMS(OBS, PRED)" CA 68 1.191 1
81 1 14 1 "RMS(OBS, PRED)" CB 63 1.324 1
82 1 14 1 "RMS(OBS, PRED)" H 65 0.617 1
83 1 14 1 "RMS(OBS, PRED)" HA 74 0.323 1
84 1 14 1 "RMS(OBS, PRED)" N 65 3.172 1
85 1 15 1 "RMS(OBS, PRED)" C 65 0.924 1
86 1 15 1 "RMS(OBS, PRED)" CA 68 1.247 1
87 1 15 1 "RMS(OBS, PRED)" CB 63 1.425 1
88 1 15 1 "RMS(OBS, PRED)" H 65 0.627 1
89 1 15 1 "RMS(OBS, PRED)" HA 74 0.343 1
90 1 15 1 "RMS(OBS, PRED)" N 65 3.116 1
91 1 16 1 "RMS(OBS, PRED)" C 65 0.822 1
92 1 16 1 "RMS(OBS, PRED)" CA 68 1.213 1
93 1 16 1 "RMS(OBS, PRED)" CB 63 1.242 1
94 1 16 1 "RMS(OBS, PRED)" H 65 0.600 1
95 1 16 1 "RMS(OBS, PRED)" HA 74 0.333 1
96 1 16 1 "RMS(OBS, PRED)" N 65 3.304 1
97 1 17 1 "RMS(OBS, PRED)" C 65 0.901 1
98 1 17 1 "RMS(OBS, PRED)" CA 68 1.325 1
99 1 17 1 "RMS(OBS, PRED)" CB 63 1.449 1
100 1 17 1 "RMS(OBS, PRED)" H 65 0.620 1
101 1 17 1 "RMS(OBS, PRED)" HA 74 0.330 1
102 1 17 1 "RMS(OBS, PRED)" N 65 2.994 1
103 1 18 1 "RMS(OBS, PRED)" C 65 0.940 1
104 1 18 1 "RMS(OBS, PRED)" CA 68 1.161 1
105 1 18 1 "RMS(OBS, PRED)" CB 63 1.406 1
106 1 18 1 "RMS(OBS, PRED)" H 65 0.613 1
107 1 18 1 "RMS(OBS, PRED)" HA 74 0.332 1
108 1 18 1 "RMS(OBS, PRED)" N 65 3.286 1
109 1 19 1 "RMS(OBS, PRED)" C 65 0.875 1
110 1 19 1 "RMS(OBS, PRED)" CA 68 1.111 1
111 1 19 1 "RMS(OBS, PRED)" CB 63 1.353 1
112 1 19 1 "RMS(OBS, PRED)" H 65 0.588 1
113 1 19 1 "RMS(OBS, PRED)" HA 74 0.318 1
114 1 19 1 "RMS(OBS, PRED)" N 65 3.297 1
115 1 20 1 "RMS(OBS, PRED)" C 65 0.954 1
116 1 20 1 "RMS(OBS, PRED)" CA 68 1.178 1
117 1 20 1 "RMS(OBS, PRED)" CB 63 1.393 1
118 1 20 1 "RMS(OBS, PRED)" H 65 0.582 1
119 1 20 1 "RMS(OBS, PRED)" HA 74 0.316 1
120 1 20 1 "RMS(OBS, PRED)" N 65 3.340 1
121 1 21 1 "RMS(OBS, PRED)" C 65 0.847 1
122 1 21 1 "RMS(OBS, PRED)" CA 68 1.296 1
123 1 21 1 "RMS(OBS, PRED)" CB 63 1.419 1
124 1 21 1 "RMS(OBS, PRED)" H 65 0.606 1
125 1 21 1 "RMS(OBS, PRED)" HA 74 0.363 1
126 1 21 1 "RMS(OBS, PRED)" N 65 3.078 1
127 1 22 1 "RMS(OBS, PRED)" C 65 0.902 1
128 1 22 1 "RMS(OBS, PRED)" CA 68 1.200 1
129 1 22 1 "RMS(OBS, PRED)" CB 63 1.428 1
130 1 22 1 "RMS(OBS, PRED)" H 65 0.579 1
131 1 22 1 "RMS(OBS, PRED)" HA 74 0.335 1
132 1 22 1 "RMS(OBS, PRED)" N 65 3.356 1
133 1 23 1 "RMS(OBS, PRED)" C 65 0.827 1
134 1 23 1 "RMS(OBS, PRED)" CA 68 1.179 1
135 1 23 1 "RMS(OBS, PRED)" CB 63 1.425 1
136 1 23 1 "RMS(OBS, PRED)" H 65 0.644 1
137 1 23 1 "RMS(OBS, PRED)" HA 74 0.346 1
138 1 23 1 "RMS(OBS, PRED)" N 65 3.043 1
139 1 24 1 "RMS(OBS, PRED)" C 65 0.919 1
140 1 24 1 "RMS(OBS, PRED)" CA 68 1.190 1
141 1 24 1 "RMS(OBS, PRED)" CB 63 1.277 1
142 1 24 1 "RMS(OBS, PRED)" H 65 0.613 1
143 1 24 1 "RMS(OBS, PRED)" HA 74 0.331 1
144 1 24 1 "RMS(OBS, PRED)" N 65 3.718 1
145 1 25 1 "RMS(OBS, PRED)" C 65 0.828 1
146 1 25 1 "RMS(OBS, PRED)" CA 68 1.170 1
147 1 25 1 "RMS(OBS, PRED)" CB 63 1.365 1
148 1 25 1 "RMS(OBS, PRED)" H 65 0.643 1
149 1 25 1 "RMS(OBS, PRED)" HA 74 0.365 1
150 1 25 1 "RMS(OBS, PRED)" N 65 3.558 1
151 1 26 1 "RMS(OBS, PRED)" C 65 0.873 1
152 1 26 1 "RMS(OBS, PRED)" CA 68 1.200 1
153 1 26 1 "RMS(OBS, PRED)" CB 63 1.375 1
154 1 26 1 "RMS(OBS, PRED)" H 65 0.605 1
155 1 26 1 "RMS(OBS, PRED)" HA 74 0.349 1
156 1 26 1 "RMS(OBS, PRED)" N 65 3.260 1
157 1 27 1 "RMS(OBS, PRED)" C 65 0.913 1
158 1 27 1 "RMS(OBS, PRED)" CA 68 1.252 1
159 1 27 1 "RMS(OBS, PRED)" CB 63 1.372 1
160 1 27 1 "RMS(OBS, PRED)" H 65 0.603 1
161 1 27 1 "RMS(OBS, PRED)" HA 74 0.313 1
162 1 27 1 "RMS(OBS, PRED)" N 65 3.129 1
163 1 28 1 "RMS(OBS, PRED)" C 65 0.881 1
164 1 28 1 "RMS(OBS, PRED)" CA 68 1.299 1
165 1 28 1 "RMS(OBS, PRED)" CB 63 1.291 1
166 1 28 1 "RMS(OBS, PRED)" H 65 0.619 1
167 1 28 1 "RMS(OBS, PRED)" HA 74 0.312 1
168 1 28 1 "RMS(OBS, PRED)" N 65 3.000 1
169 1 29 1 "RMS(OBS, PRED)" C 65 0.958 1
170 1 29 1 "RMS(OBS, PRED)" CA 68 1.180 1
171 1 29 1 "RMS(OBS, PRED)" CB 63 1.472 1
172 1 29 1 "RMS(OBS, PRED)" H 65 0.579 1
173 1 29 1 "RMS(OBS, PRED)" HA 74 0.345 1
174 1 29 1 "RMS(OBS, PRED)" N 65 2.982 1
175 1 30 1 "RMS(OBS, PRED)" C 65 0.870 1
176 1 30 1 "RMS(OBS, PRED)" CA 68 1.243 1
177 1 30 1 "RMS(OBS, PRED)" CB 63 1.529 1
178 1 30 1 "RMS(OBS, PRED)" H 65 0.609 1
179 1 30 1 "RMS(OBS, PRED)" HA 74 0.342 1
180 1 30 1 "RMS(OBS, PRED)" N 65 3.354 1
181 1 31 1 "RMS(OBS, PRED)" C 65 0.859 1
182 1 31 1 "RMS(OBS, PRED)" CA 68 1.312 1
183 1 31 1 "RMS(OBS, PRED)" CB 63 1.419 1
184 1 31 1 "RMS(OBS, PRED)" H 65 0.604 1
185 1 31 1 "RMS(OBS, PRED)" HA 74 0.323 1
186 1 31 1 "RMS(OBS, PRED)" N 65 3.159 1
187 1 32 1 "RMS(OBS, PRED)" C 65 0.890 1
188 1 32 1 "RMS(OBS, PRED)" CA 68 1.269 1
189 1 32 1 "RMS(OBS, PRED)" CB 63 1.290 1
190 1 32 1 "RMS(OBS, PRED)" H 65 0.574 1
191 1 32 1 "RMS(OBS, PRED)" HA 74 0.360 1
192 1 32 1 "RMS(OBS, PRED)" N 65 3.535 1
193 1 33 1 "RMS(OBS, PRED)" C 65 0.947 1
194 1 33 1 "RMS(OBS, PRED)" CA 68 1.168 1
195 1 33 1 "RMS(OBS, PRED)" CB 63 1.324 1
196 1 33 1 "RMS(OBS, PRED)" H 65 0.616 1
197 1 33 1 "RMS(OBS, PRED)" HA 74 0.327 1
198 1 33 1 "RMS(OBS, PRED)" N 65 3.257 1
199 1 34 1 "RMS(OBS, PRED)" C 65 0.835 1
200 1 34 1 "RMS(OBS, PRED)" CA 68 1.222 1
201 1 34 1 "RMS(OBS, PRED)" CB 63 1.377 1
202 1 34 1 "RMS(OBS, PRED)" H 65 0.576 1
203 1 34 1 "RMS(OBS, PRED)" HA 74 0.342 1
204 1 34 1 "RMS(OBS, PRED)" N 65 2.902 1
205 1 35 1 "RMS(OBS, PRED)" C 65 0.867 1
206 1 35 1 "RMS(OBS, PRED)" CA 68 1.180 1
207 1 35 1 "RMS(OBS, PRED)" CB 63 1.505 1
208 1 35 1 "RMS(OBS, PRED)" H 65 0.572 1
209 1 35 1 "RMS(OBS, PRED)" HA 74 0.341 1
210 1 35 1 "RMS(OBS, PRED)" N 65 3.345 1
211 1 36 1 "RMS(OBS, PRED)" C 65 0.909 1
212 1 36 1 "RMS(OBS, PRED)" CA 68 1.325 1
213 1 36 1 "RMS(OBS, PRED)" CB 63 1.518 1
214 1 36 1 "RMS(OBS, PRED)" H 65 0.593 1
215 1 36 1 "RMS(OBS, PRED)" HA 74 0.324 1
216 1 36 1 "RMS(OBS, PRED)" N 65 3.319 1
217 1 37 1 "RMS(OBS, PRED)" C 65 0.851 1
218 1 37 1 "RMS(OBS, PRED)" CA 68 1.285 1
219 1 37 1 "RMS(OBS, PRED)" CB 63 1.322 1
220 1 37 1 "RMS(OBS, PRED)" H 65 0.598 1
221 1 37 1 "RMS(OBS, PRED)" HA 74 0.328 1
222 1 37 1 "RMS(OBS, PRED)" N 65 3.072 1
223 1 38 1 "RMS(OBS, PRED)" C 65 0.891 1
224 1 38 1 "RMS(OBS, PRED)" CA 68 1.305 1
225 1 38 1 "RMS(OBS, PRED)" CB 63 1.526 1
226 1 38 1 "RMS(OBS, PRED)" H 65 0.590 1
227 1 38 1 "RMS(OBS, PRED)" HA 74 0.359 1
228 1 38 1 "RMS(OBS, PRED)" N 65 3.548 1
229 1 39 1 "RMS(OBS, PRED)" C 65 0.983 1
230 1 39 1 "RMS(OBS, PRED)" CA 68 1.171 1
231 1 39 1 "RMS(OBS, PRED)" CB 63 1.431 1
232 1 39 1 "RMS(OBS, PRED)" H 65 0.591 1
233 1 39 1 "RMS(OBS, PRED)" HA 74 0.381 1
234 1 39 1 "RMS(OBS, PRED)" N 65 3.409 1
235 1 40 1 "RMS(OBS, PRED)" C 65 0.792 1
236 1 40 1 "RMS(OBS, PRED)" CA 68 1.382 1
237 1 40 1 "RMS(OBS, PRED)" CB 63 1.385 1
238 1 40 1 "RMS(OBS, PRED)" H 65 0.581 1
239 1 40 1 "RMS(OBS, PRED)" HA 74 0.349 1
240 1 40 1 "RMS(OBS, PRED)" N 65 3.402 1
241 1 41 1 "RMS(OBS, PRED)" C 65 0.964 1
242 1 41 1 "RMS(OBS, PRED)" CA 68 1.215 1
243 1 41 1 "RMS(OBS, PRED)" CB 63 1.541 1
244 1 41 1 "RMS(OBS, PRED)" H 65 0.589 1
245 1 41 1 "RMS(OBS, PRED)" HA 74 0.337 1
246 1 41 1 "RMS(OBS, PRED)" N 65 3.391 1
247 1 42 1 "RMS(OBS, PRED)" C 65 0.864 1
248 1 42 1 "RMS(OBS, PRED)" CA 68 1.329 1
249 1 42 1 "RMS(OBS, PRED)" CB 63 1.350 1
250 1 42 1 "RMS(OBS, PRED)" H 65 0.584 1
251 1 42 1 "RMS(OBS, PRED)" HA 74 0.344 1
252 1 42 1 "RMS(OBS, PRED)" N 65 3.429 1
253 1 43 1 "RMS(OBS, PRED)" C 65 0.892 1
254 1 43 1 "RMS(OBS, PRED)" CA 68 1.188 1
255 1 43 1 "RMS(OBS, PRED)" CB 63 1.364 1
256 1 43 1 "RMS(OBS, PRED)" H 65 0.621 1
257 1 43 1 "RMS(OBS, PRED)" HA 74 0.328 1
258 1 43 1 "RMS(OBS, PRED)" N 65 3.072 1
259 1 44 1 "RMS(OBS, PRED)" C 65 0.859 1
260 1 44 1 "RMS(OBS, PRED)" CA 68 1.326 1
261 1 44 1 "RMS(OBS, PRED)" CB 63 1.269 1
262 1 44 1 "RMS(OBS, PRED)" H 65 0.628 1
263 1 44 1 "RMS(OBS, PRED)" HA 74 0.316 1
264 1 44 1 "RMS(OBS, PRED)" N 65 2.960 1
265 1 45 1 "RMS(OBS, PRED)" C 65 0.836 1
266 1 45 1 "RMS(OBS, PRED)" CA 68 1.263 1
267 1 45 1 "RMS(OBS, PRED)" CB 63 1.377 1
268 1 45 1 "RMS(OBS, PRED)" H 65 0.572 1
269 1 45 1 "RMS(OBS, PRED)" HA 74 0.346 1
270 1 45 1 "RMS(OBS, PRED)" N 65 3.581 1
271 1 46 1 "RMS(OBS, PRED)" C 65 0.993 1
272 1 46 1 "RMS(OBS, PRED)" CA 68 1.214 1
273 1 46 1 "RMS(OBS, PRED)" CB 63 1.401 1
274 1 46 1 "RMS(OBS, PRED)" H 65 0.592 1
275 1 46 1 "RMS(OBS, PRED)" HA 74 0.365 1
276 1 46 1 "RMS(OBS, PRED)" N 65 3.189 1
277 1 47 1 "RMS(OBS, PRED)" C 65 0.861 1
278 1 47 1 "RMS(OBS, PRED)" CA 68 1.277 1
279 1 47 1 "RMS(OBS, PRED)" CB 63 1.425 1
280 1 47 1 "RMS(OBS, PRED)" H 65 0.605 1
281 1 47 1 "RMS(OBS, PRED)" HA 74 0.377 1
282 1 47 1 "RMS(OBS, PRED)" N 65 3.501 1
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.Conformer_type "average"
_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.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 6 . 1 1 A 2 2 ASN HA H 62 4.610 4.861 -0.251 2
1 10 . 1 1 A 2 2 ASN C C 62 174.760 174.809 -0.049 2
1 11 . 1 1 A 2 2 ASN CA C 62 53.100 52.974 0.126 2
1 12 . 1 1 A 2 2 ASN CB C 62 38.790 39.146 -0.356 2
1 14 . 1 1 A 3 3 ALA H H 63 8.300 8.110 0.190 2
1 15 . 1 1 A 3 3 ALA HA H 63 4.200 4.409 -0.209 2
1 19 . 1 1 A 3 3 ALA C C 63 178.180 177.161 1.019 2
1 20 . 1 1 A 3 3 ALA CA C 63 53.070 51.524 1.546 2
1 21 . 1 1 A 3 3 ALA CB C 63 18.960 19.891 -0.931 2
1 22 . 1 1 A 3 3 ALA N N 63 125.390 123.137 2.253 2
1 23 . 1 1 A 4 4 GLY H H 64 8.340 8.000 0.340 2
1 24 . 1 1 A 4 4 GLY HA2 H 64 3.800 3.990 -0.190 2
1 25 . 1 1 A 4 4 GLY HA3 H 64 3.860 3.998 -0.138 2
1 26 . 1 1 A 4 4 GLY C C 64 174.010 173.820 0.190 2
1 27 . 1 1 A 4 4 GLY CA C 64 45.350 45.989 -0.639 2
1 28 . 1 1 A 4 4 GLY N N 64 109.300 107.259 2.041 2
1 29 . 1 1 A 5 5 GLN H H 65 7.950 7.885 0.065 2
1 30 . 1 1 A 5 5 GLN HA H 65 4.330 4.604 -0.274 2
1 35 . 1 1 A 5 5 GLN C C 65 175.560 174.869 0.691 2
1 36 . 1 1 A 5 5 GLN CA C 65 55.400 55.265 0.135 2
1 37 . 1 1 A 5 5 GLN CB C 65 29.860 30.804 -0.944 2
1 39 . 1 1 A 5 5 GLN N N 65 119.540 119.525 0.015 2
1 41 . 1 1 A 6 6 LEU H H 66 8.740 8.669 0.071 2
1 42 . 1 1 A 6 6 LEU HA H 66 4.610 5.030 -0.420 2
1 52 . 1 1 A 6 6 LEU C C 66 175.750 175.756 -0.006 2
1 53 . 1 1 A 6 6 LEU CA C 66 54.010 53.331 0.679 2
1 54 . 1 1 A 6 6 LEU CB C 66 43.490 45.017 -1.527 2
1 58 . 1 1 A 6 6 LEU N N 66 126.120 121.177 4.943 2
1 59 . 1 1 A 7 7 CYS H H 67 8.470 8.824 -0.354 2
1 60 . 1 1 A 7 7 CYS HA H 67 4.140 4.474 -0.334 2
1 63 . 1 1 A 7 7 CYS C C 67 175.320 176.050 -0.730 2
1 64 . 1 1 A 7 7 CYS CA C 67 60.780 59.846 0.934 2
1 65 . 1 1 A 7 7 CYS CB C 67 32.850 28.443 4.407 2
1 66 . 1 1 A 7 7 CYS N N 67 123.170 123.008 0.162 2
1 67 . 1 1 A 8 8 CYS H H 68 8.170 8.714 -0.544 2
1 68 . 1 1 A 8 8 CYS HA H 68 4.280 4.720 -0.440 2
1 72 . 1 1 A 8 8 CYS C C 68 172.410 173.814 -1.404 2
1 73 . 1 1 A 8 8 CYS CA C 68 58.920 58.470 0.450 2
1 74 . 1 1 A 8 8 CYS CB C 68 28.920 27.939 0.981 2
1 75 . 1 1 A 8 8 CYS N N 68 124.700 123.030 1.670 2
1 76 . 1 1 A 9 9 LEU H H 69 8.180 7.260 0.920 2
1 77 . 1 1 A 9 9 LEU HA H 69 4.580 4.719 -0.139 2
1 87 . 1 1 A 9 9 LEU C C 69 176.770 175.897 0.873 2
1 88 . 1 1 A 9 9 LEU CA C 69 54.760 53.227 1.533 2
1 89 . 1 1 A 9 9 LEU CB C 69 43.150 45.349 -2.199 2
1 93 . 1 1 A 9 9 LEU N N 69 122.650 122.587 0.063 2
1 94 . 1 1 A 10 10 ARG H H 70 8.880 8.453 0.427 2
1 95 . 1 1 A 10 10 ARG HA H 70 4.770 5.310 -0.540 2
1 102 . 1 1 A 10 10 ARG C C 70 174.900 174.206 0.694 2
1 103 . 1 1 A 10 10 ARG CA C 70 54.710 54.288 0.422 2
1 104 . 1 1 A 10 10 ARG CB C 70 33.390 32.495 0.895 2
1 107 . 1 1 A 10 10 ARG N N 70 117.650 121.046 -3.396 2
1 108 . 1 1 A 11 11 GLU H H 71 8.640 9.158 -0.518 2
1 109 . 1 1 A 11 11 GLU HA H 71 5.090 4.710 0.380 2
1 113 . 1 1 A 11 11 GLU C C 71 176.070 175.610 0.460 2
1 114 . 1 1 A 11 11 GLU CA C 71 54.270 55.366 -1.096 2
1 115 . 1 1 A 11 11 GLU CB C 71 32.460 31.130 1.330 2
1 117 . 1 1 A 11 11 GLU N N 71 123.910 125.403 -1.493 2
1 118 . 1 1 A 12 12 ASP H H 72 9.510 9.192 0.318 2
1 119 . 1 1 A 12 12 ASP HA H 72 4.270 4.413 -0.143 2
1 122 . 1 1 A 12 12 ASP C C 72 175.890 176.143 -0.253 2
1 123 . 1 1 A 12 12 ASP CA C 72 55.880 55.328 0.552 2
1 124 . 1 1 A 12 12 ASP CB C 72 39.910 39.621 0.289 2
1 125 . 1 1 A 12 12 ASP N N 72 129.440 128.161 1.279 2
1 126 . 1 1 A 13 13 GLY H H 73 8.970 8.480 0.490 2
1 127 . 1 1 A 13 13 GLY HA2 H 73 3.520 3.860 -0.340 2
1 128 . 1 1 A 13 13 GLY HA3 H 73 4.200 3.864 0.336 2
1 129 . 1 1 A 13 13 GLY C C 73 173.960 173.820 0.140 2
1 130 . 1 1 A 13 13 GLY CA C 73 45.350 45.314 0.036 2
1 131 . 1 1 A 13 13 GLY N N 73 103.500 104.144 -0.644 2
1 132 . 1 1 A 14 14 GLU H H 74 7.660 7.890 -0.230 2
1 133 . 1 1 A 14 14 GLU HA H 74 4.640 4.511 0.129 2
1 138 . 1 1 A 14 14 GLU C C 74 176.170 175.902 0.268 2
1 139 . 1 1 A 14 14 GLU CA C 74 54.460 55.465 -1.005 2
1 140 . 1 1 A 14 14 GLU CB C 74 32.050 31.037 1.013 2
1 142 . 1 1 A 14 14 GLU N N 74 121.330 120.544 0.786 2
1 143 . 1 1 A 15 15 ARG H H 75 9.000 8.673 0.327 2
1 144 . 1 1 A 15 15 ARG HA H 75 4.120 4.391 -0.271 2
1 150 . 1 1 A 15 15 ARG C C 75 175.230 176.147 -0.917 2
1 151 . 1 1 A 15 15 ARG CA C 75 56.640 55.530 1.110 2
1 152 . 1 1 A 15 15 ARG CB C 75 29.720 29.284 0.436 2
1 155 . 1 1 A 15 15 ARG N N 75 127.990 125.002 2.988 2
1 156 . 1 1 A 16 16 CYS H H 76 8.870 8.868 0.002 2
1 157 . 1 1 A 16 16 CYS HA H 76 4.170 4.310 -0.140 2
1 160 . 1 1 A 16 16 CYS CA C 76 61.840 61.186 0.654 2
1 161 . 1 1 A 16 16 CYS CB C 76 31.150 28.069 3.081 2
1 162 . 1 1 A 16 16 CYS N N 76 131.840 122.357 9.483 2
1 163 . 1 1 A 17 17 GLY H H 77 8.530 8.121 0.409 2
1 164 . 1 1 A 17 17 GLY HA2 H 77 3.680 3.957 -0.277 2
1 165 . 1 1 A 17 17 GLY HA3 H 77 4.340 3.975 0.365 2
1 166 . 1 1 A 17 17 GLY C C 77 174.620 174.085 0.535 2
1 167 . 1 1 A 17 17 GLY CA C 77 45.110 45.147 -0.037 2
1 168 . 1 1 A 17 17 GLY N N 77 111.930 108.692 3.238 2
1 169 . 1 1 A 18 18 ARG H H 78 8.960 7.839 1.121 2
1 170 . 1 1 A 18 18 ARG HA H 78 4.290 4.404 -0.114 2
1 177 . 1 1 A 18 18 ARG C C 78 175.270 175.810 -0.540 2
1 178 . 1 1 A 18 18 ARG CA C 78 56.350 55.503 0.847 2
1 179 . 1 1 A 18 18 ARG CB C 78 31.310 31.552 -0.242 2
1 182 . 1 1 A 18 18 ARG N N 78 124.390 122.159 2.231 2
1 183 . 1 1 A 19 19 ALA H H 79 8.340 8.400 -0.060 2
1 184 . 1 1 A 19 19 ALA HA H 79 4.170 4.413 -0.243 2
1 188 . 1 1 A 19 19 ALA C C 79 177.620 177.436 0.184 2
1 189 . 1 1 A 19 19 ALA CA C 79 52.710 52.317 0.393 2
1 190 . 1 1 A 19 19 ALA CB C 79 18.710 19.122 -0.412 2
1 191 . 1 1 A 19 19 ALA N N 79 123.880 127.134 -3.254 2
1 192 . 1 1 A 20 20 ALA H H 80 8.470 8.674 -0.204 2
1 193 . 1 1 A 20 20 ALA HA H 80 3.540 4.508 -0.968 2
1 197 . 1 1 A 20 20 ALA C C 80 177.560 177.744 -0.184 2
1 198 . 1 1 A 20 20 ALA CA C 80 52.840 52.018 0.822 2
1 199 . 1 1 A 20 20 ALA CB C 80 19.050 19.649 -0.599 2
1 200 . 1 1 A 20 20 ALA N N 80 124.580 123.169 1.411 2
1 201 . 1 1 A 21 21 GLY H H 81 8.090 8.564 -0.474 2
1 202 . 1 1 A 21 21 GLY HA2 H 81 3.800 4.150 -0.350 2
1 203 . 1 1 A 21 21 GLY HA3 H 81 4.430 4.179 0.251 2
1 204 . 1 1 A 21 21 GLY C C 81 173.170 174.461 -1.291 2
1 205 . 1 1 A 21 21 GLY CA C 81 44.390 44.632 -0.242 2
1 206 . 1 1 A 21 21 GLY N N 81 114.000 107.619 6.381 2
1 207 . 1 1 A 22 22 ASN H H 82 8.690 8.588 0.102 2
1 208 . 1 1 A 22 22 ASN HA H 82 4.650 4.938 -0.288 2
1 213 . 1 1 A 22 22 ASN C C 82 176.260 175.247 1.013 2
1 214 . 1 1 A 22 22 ASN CA C 82 53.580 53.260 0.320 2
1 215 . 1 1 A 22 22 ASN CB C 82 39.580 39.672 -0.092 2
1 216 . 1 1 A 22 22 ASN N N 82 118.160 121.037 -2.877 2
1 218 . 1 1 A 23 23 ALA H H 83 8.720 7.588 1.132 2
1 219 . 1 1 A 23 23 ALA HA H 83 4.570 4.542 0.028 2
1 223 . 1 1 A 23 23 ALA C C 83 175.910 176.590 -0.680 2
1 224 . 1 1 A 23 23 ALA CA C 83 52.340 51.869 0.471 2
1 225 . 1 1 A 23 23 ALA CB C 83 19.370 20.906 -1.536 2
1 226 . 1 1 A 23 23 ALA N N 83 125.180 122.254 2.926 2
1 227 . 1 1 A 24 24 SER H H 84 7.970 8.713 -0.743 2
1 228 . 1 1 A 24 24 SER HA H 84 5.310 5.182 0.128 2
1 230 . 1 1 A 24 24 SER C C 84 174.620 172.680 1.940 2
1 231 . 1 1 A 24 24 SER CA C 84 56.550 56.837 -0.287 2
1 232 . 1 1 A 24 24 SER CB C 84 66.420 66.184 0.236 2
1 233 . 1 1 A 24 24 SER N N 84 112.840 113.559 -0.719 2
1 234 . 1 1 A 25 25 PHE H H 85 9.580 8.897 0.683 2
1 235 . 1 1 A 25 25 PHE HA H 85 4.320 4.773 -0.453 2
1 241 . 1 1 A 25 25 PHE C C 85 173.430 174.767 -1.337 2
1 242 . 1 1 A 25 25 PHE CA C 85 57.780 58.074 -0.294 2
1 243 . 1 1 A 25 25 PHE CB C 85 38.780 39.884 -1.104 2
1 247 . 1 1 A 25 25 PHE N N 85 125.520 125.498 0.022 2
1 248 . 1 1 A 26 26 SER H H 86 6.780 8.193 -1.413 2
1 249 . 1 1 A 26 26 SER HA H 86 4.430 4.763 -0.333 2
1 252 . 1 1 A 26 26 SER C C 86 174.200 174.728 -0.528 2
1 253 . 1 1 A 26 26 SER CA C 86 56.610 56.126 0.484 2
1 254 . 1 1 A 26 26 SER CB C 86 66.010 65.478 0.532 2
1 255 . 1 1 A 26 26 SER N N 86 118.860 119.215 -0.355 2
1 256 . 1 1 A 27 27 LYS H H 87 8.710 8.704 0.006 2
1 257 . 1 1 A 27 27 LYS HA H 87 3.850 3.782 0.068 2
1 263 . 1 1 A 27 27 LYS C C 87 178.490 178.791 -0.301 2
1 264 . 1 1 A 27 27 LYS CA C 87 59.390 59.247 0.143 2
1 265 . 1 1 A 27 27 LYS CB C 87 31.970 32.521 -0.551 2
1 269 . 1 1 A 27 27 LYS N N 87 121.790 119.410 2.380 2
1 270 . 1 1 A 28 28 ARG H H 88 8.010 7.736 0.274 2
1 271 . 1 1 A 28 28 ARG HA H 88 3.990 4.007 -0.017 2
1 277 . 1 1 A 28 28 ARG C C 88 178.890 178.661 0.229 2
1 278 . 1 1 A 28 28 ARG CA C 88 59.010 58.659 0.351 2
1 279 . 1 1 A 28 28 ARG CB C 88 30.120 29.851 0.269 2
1 282 . 1 1 A 28 28 ARG N N 88 119.520 119.587 -0.067 2
1 283 . 1 1 A 29 29 ILE H H 89 7.350 7.743 -0.393 2
1 284 . 1 1 A 29 29 ILE HA H 89 3.680 3.664 0.016 2
1 294 . 1 1 A 29 29 ILE C C 89 177.620 177.804 -0.184 2
1 295 . 1 1 A 29 29 ILE CA C 89 63.170 65.181 -2.011 2
1 296 . 1 1 A 29 29 ILE CB C 89 36.900 37.019 -0.119 2
1 300 . 1 1 A 29 29 ILE N N 89 121.980 119.869 2.111 2
1 301 . 1 1 A 30 30 GLN H H 90 7.990 7.711 0.279 2
1 302 . 1 1 A 30 30 GLN HA H 90 3.630 3.963 -0.333 2
1 308 . 1 1 A 30 30 GLN C C 90 178.320 178.375 -0.055 2
1 309 . 1 1 A 30 30 GLN CA C 90 59.200 59.187 0.013 2
1 310 . 1 1 A 30 30 GLN CB C 90 28.700 28.173 0.527 2
1 312 . 1 1 A 30 30 GLN N N 90 121.020 120.435 0.585 2
1 314 . 1 1 A 31 31 LYS H H 91 7.990 8.155 -0.165 2
1 315 . 1 1 A 31 31 LYS HA H 91 4.090 4.047 0.043 2
1 321 . 1 1 A 31 31 LYS C C 91 178.650 178.792 -0.142 2
1 322 . 1 1 A 31 31 LYS CA C 91 58.720 59.212 -0.492 2
1 323 . 1 1 A 31 31 LYS CB C 91 32.220 32.166 0.054 2
1 327 . 1 1 A 31 31 LYS N N 91 119.520 119.432 0.088 2
1 328 . 1 1 A 32 32 SER H H 92 7.770 8.025 -0.255 2
1 329 . 1 1 A 32 32 SER HA H 92 4.320 4.147 0.173 2
1 332 . 1 1 A 32 32 SER C C 92 176.110 176.956 -0.846 2
1 333 . 1 1 A 32 32 SER CA C 92 61.260 61.859 -0.599 2
1 334 . 1 1 A 32 32 SER CB C 92 63.610 63.049 0.561 2
1 335 . 1 1 A 32 32 SER N N 92 116.310 115.005 1.305 2
1 336 . 1 1 A 33 33 ILE H H 93 7.960 7.927 0.033 2
1 337 . 1 1 A 33 33 ILE HA H 93 3.920 3.698 0.222 2
1 347 . 1 1 A 33 33 ILE C C 93 177.480 177.993 -0.513 2
1 348 . 1 1 A 33 33 ILE CA C 93 63.610 64.915 -1.305 2
1 349 . 1 1 A 33 33 ILE CB C 93 38.330 37.471 0.859 2
1 353 . 1 1 A 33 33 ILE N N 93 119.950 122.000 -2.050 2
1 354 . 1 1 A 34 34 SER H H 94 7.970 8.218 -0.248 2
1 355 . 1 1 A 34 34 SER HA H 94 4.390 4.071 0.319 2
1 357 . 1 1 A 34 34 SER C C 94 176.490 176.720 -0.230 2
1 358 . 1 1 A 34 34 SER CA C 94 60.560 61.725 -1.165 2
1 359 . 1 1 A 34 34 SER CB C 94 63.130 62.950 0.180 2
1 360 . 1 1 A 34 34 SER N N 94 117.230 115.947 1.283 2
1 361 . 1 1 A 35 35 GLN H H 95 8.220 7.942 0.278 2
1 362 . 1 1 A 35 35 GLN HA H 95 4.260 4.050 0.210 2
1 369 . 1 1 A 35 35 GLN C C 95 177.050 178.264 -1.214 2
1 370 . 1 1 A 35 35 GLN CA C 95 57.360 58.818 -1.458 2
1 371 . 1 1 A 35 35 GLN CB C 95 28.900 28.461 0.439 2
1 373 . 1 1 A 35 35 GLN N N 95 121.530 120.838 0.692 2
1 375 . 1 1 A 36 36 LYS H H 96 7.870 7.621 0.249 2
1 376 . 1 1 A 36 36 LYS HA H 96 4.280 4.177 0.103 2
1 383 . 1 1 A 36 36 LYS C C 96 176.160 176.436 -0.276 2
1 384 . 1 1 A 36 36 LYS CA C 96 56.570 58.363 -1.793 2
1 385 . 1 1 A 36 36 LYS CB C 96 33.600 32.868 0.732 2
1 389 . 1 1 A 36 36 LYS N N 96 118.550 116.801 1.749 2
1 390 . 1 1 A 37 37 LYS H H 97 8.110 8.510 -0.400 2
1 391 . 1 1 A 37 37 LYS HA H 97 4.110 3.903 0.207 2
1 396 . 1 1 A 37 37 LYS C C 97 176.210 175.348 0.862 2
1 397 . 1 1 A 37 37 LYS CA C 97 57.230 57.114 0.116 2
1 398 . 1 1 A 37 37 LYS CB C 97 30.580 30.528 0.052 2
1 402 . 1 1 A 37 37 LYS N N 97 117.680 117.584 0.096 2
1 403 . 1 1 A 38 38 VAL H H 98 7.430 7.786 -0.356 2
1 404 . 1 1 A 38 38 VAL HA H 98 4.350 4.873 -0.523 2
1 412 . 1 1 A 38 38 VAL C C 98 175.830 174.874 0.956 2
1 413 . 1 1 A 38 38 VAL CA C 98 60.580 58.786 1.794 2
1 414 . 1 1 A 38 38 VAL CB C 98 33.410 35.351 -1.941 2
1 417 . 1 1 A 38 38 VAL N N 98 115.860 114.883 0.977 2
1 418 . 1 1 A 39 39 LYS H H 99 8.960 8.416 0.544 2
1 419 . 1 1 A 39 39 LYS HA H 99 4.430 4.442 -0.012 2
1 425 . 1 1 A 39 39 LYS C C 99 175.700 174.670 1.030 2
1 426 . 1 1 A 39 39 LYS CA C 99 55.420 56.042 -0.622 2
1 427 . 1 1 A 39 39 LYS CB C 99 30.580 30.851 -0.271 2
1 431 . 1 1 A 39 39 LYS N N 99 127.710 120.035 7.675 2
1 432 . 1 1 A 40 40 ILE H H 100 7.660 7.712 -0.052 2
1 433 . 1 1 A 40 40 ILE HA H 100 5.020 4.976 0.044 2
1 443 . 1 1 A 40 40 ILE C C 100 174.520 174.962 -0.442 2
1 444 . 1 1 A 40 40 ILE CA C 100 59.370 60.509 -1.139 2
1 445 . 1 1 A 40 40 ILE CB C 100 40.650 40.077 0.573 2
1 449 . 1 1 A 40 40 ILE N N 100 123.140 123.503 -0.363 2
1 450 . 1 1 A 41 41 GLU H H 101 8.490 8.979 -0.489 2
1 451 . 1 1 A 41 41 GLU HA H 101 4.620 4.968 -0.348 2
1 456 . 1 1 A 41 41 GLU C C 101 173.590 174.613 -1.023 2
1 457 . 1 1 A 41 41 GLU CA C 101 53.740 54.372 -0.632 2
1 458 . 1 1 A 41 41 GLU CB C 101 34.580 33.333 1.247 2
1 460 . 1 1 A 41 41 GLU N N 101 123.460 124.745 -1.285 2
1 461 . 1 1 A 42 42 LEU H H 102 8.490 8.289 0.201 2
1 462 . 1 1 A 42 42 LEU HA H 102 3.790 4.374 -0.584 2
1 472 . 1 1 A 42 42 LEU C C 102 176.440 175.711 0.729 2
1 473 . 1 1 A 42 42 LEU CA C 102 55.190 54.569 0.621 2
1 474 . 1 1 A 42 42 LEU CB C 102 43.100 43.191 -0.091 2
1 478 . 1 1 A 42 42 LEU N N 102 123.470 123.934 -0.464 2
1 479 . 1 1 A 43 43 ASP H H 103 8.770 8.207 0.563 2
1 480 . 1 1 A 43 43 ASP HA H 103 4.520 4.671 -0.151 2
1 483 . 1 1 A 43 43 ASP C C 103 177.600 176.586 1.014 2
1 484 . 1 1 A 43 43 ASP CA C 103 53.740 53.955 -0.215 2
1 485 . 1 1 A 43 43 ASP CB C 103 41.880 41.973 -0.093 2
1 486 . 1 1 A 43 43 ASP N N 103 127.210 125.853 1.357 2
1 487 . 1 1 A 44 44 LYS H H 104 8.910 8.987 -0.077 2
1 488 . 1 1 A 44 44 LYS HA H 104 3.920 4.242 -0.322 2
1 495 . 1 1 A 44 44 LYS C C 104 177.340 178.032 -0.692 2
1 496 . 1 1 A 44 44 LYS CA C 104 58.930 57.665 1.265 2
1 497 . 1 1 A 44 44 LYS CB C 104 32.000 32.409 -0.409 2
1 501 . 1 1 A 44 44 LYS N N 104 129.080 126.948 2.132 2
1 502 . 1 1 A 45 45 SER H H 105 8.740 7.762 0.978 2
1 503 . 1 1 A 45 45 SER HA H 105 4.370 4.343 0.027 2
1 506 . 1 1 A 45 45 SER C C 105 175.040 175.013 0.027 2
1 507 . 1 1 A 45 45 SER CA C 105 59.150 59.876 -0.726 2
1 508 . 1 1 A 45 45 SER CB C 105 63.830 63.153 0.677 2
1 509 . 1 1 A 45 45 SER N N 105 115.270 112.833 2.437 2
1 510 . 1 1 A 46 46 ALA H H 106 7.430 7.355 0.075 2
1 511 . 1 1 A 46 46 ALA HA H 106 4.150 4.209 -0.059 2
1 515 . 1 1 A 46 46 ALA CA C 106 53.300 52.131 1.169 2
1 516 . 1 1 A 46 46 ALA CB C 106 19.190 19.798 -0.608 2
1 517 . 1 1 A 46 46 ALA N N 106 125.120 124.613 0.507 2
1 518 . 1 1 A 47 47 ARG HA H 107 4.280 4.521 -0.241 2
1 526 . 1 1 A 48 48 HIS HA H 108 4.650 4.880 -0.230 2
1 531 . 1 1 A 48 48 HIS C C 108 173.160 173.846 -0.686 2
1 532 . 1 1 A 48 48 HIS CA C 108 54.990 54.692 0.298 2
1 533 . 1 1 A 48 48 HIS CB C 108 33.400 32.030 1.370 2
1 538 . 1 1 A 49 49 LEU H H 109 8.030 8.767 -0.737 2
1 539 . 1 1 A 49 49 LEU HA H 109 5.040 4.681 0.359 2
1 549 . 1 1 A 49 49 LEU CA C 109 54.480 53.995 0.485 2
1 550 . 1 1 A 49 49 LEU CB C 109 43.010 42.683 0.327 2
1 554 . 1 1 A 49 49 LEU N N 109 120.130 120.244 -0.114 2
1 555 . 1 1 A 50 50 TYR HA H 110 5.020 5.176 -0.156 2
1 560 . 1 1 A 50 50 TYR C C 110 176.960 175.626 1.334 2
1 561 . 1 1 A 50 50 TYR CA C 110 60.340 56.935 3.405 2
1 562 . 1 1 A 50 50 TYR CB C 110 39.210 40.848 -1.638 2
1 565 . 1 1 A 51 51 ILE H H 111 8.510 8.717 -0.207 2
1 566 . 1 1 A 51 51 ILE HA H 111 5.960 4.876 1.084 2
1 576 . 1 1 A 51 51 ILE C C 111 177.900 176.025 1.875 2
1 577 . 1 1 A 51 51 ILE CA C 111 58.100 59.470 -1.370 2
1 578 . 1 1 A 51 51 ILE CB C 111 41.370 40.382 0.988 2
1 582 . 1 1 A 51 51 ILE N N 111 115.050 119.930 -4.880 2
1 583 . 1 1 A 52 52 CYS H H 112 9.830 8.841 0.989 2
1 584 . 1 1 A 52 52 CYS HA H 112 5.000 4.855 0.145 2
1 587 . 1 1 A 52 52 CYS C C 112 175.420 175.663 -0.243 2
1 588 . 1 1 A 52 52 CYS CA C 112 57.770 57.670 0.100 2
1 589 . 1 1 A 52 52 CYS CB C 112 33.120 29.977 3.143 2
1 590 . 1 1 A 52 52 CYS N N 112 125.820 121.883 3.937 2
1 591 . 1 1 A 53 53 ASP H H 113 9.000 8.969 0.031 2
1 592 . 1 1 A 53 53 ASP HA H 113 4.510 4.346 0.164 2
1 594 . 1 1 A 53 53 ASP C C 113 178.140 177.875 0.265 2
1 595 . 1 1 A 53 53 ASP CA C 113 57.330 57.357 -0.027 2
1 596 . 1 1 A 53 53 ASP CB C 113 39.730 40.488 -0.758 2
1 597 . 1 1 A 53 53 ASP N N 113 121.960 121.319 0.641 2
1 598 . 1 1 A 54 54 TYR H H 114 8.220 8.139 0.081 2
1 599 . 1 1 A 54 54 TYR HA H 114 4.100 4.178 -0.078 2
1 604 . 1 1 A 54 54 TYR C C 114 178.410 177.232 1.178 2
1 605 . 1 1 A 54 54 TYR CA C 114 61.970 61.714 0.256 2
1 606 . 1 1 A 54 54 TYR CB C 114 37.150 38.949 -1.799 2
1 609 . 1 1 A 54 54 TYR N N 114 123.510 121.894 1.616 2
1 610 . 1 1 A 55 55 HIS H H 115 10.090 7.834 2.256 2
1 611 . 1 1 A 55 55 HIS HA H 115 4.040 4.153 -0.113 2
1 616 . 1 1 A 55 55 HIS C C 115 177.240 177.499 -0.259 2
1 617 . 1 1 A 55 55 HIS CA C 115 63.870 59.720 4.150 2
1 618 . 1 1 A 55 55 HIS CB C 115 29.600 29.775 -0.175 2
1 621 . 1 1 A 55 55 HIS N N 115 124.830 117.014 7.816 2
1 624 . 1 1 A 56 56 LYS H H 116 8.830 8.249 0.581 2
1 625 . 1 1 A 56 56 LYS HA H 116 3.720 3.887 -0.167 2
1 633 . 1 1 A 56 56 LYS C C 116 178.140 178.856 -0.716 2
1 634 . 1 1 A 56 56 LYS CA C 116 60.590 60.012 0.578 2
1 635 . 1 1 A 56 56 LYS CB C 116 32.230 32.426 -0.196 2
1 639 . 1 1 A 56 56 LYS N N 116 123.340 120.584 2.756 2
1 640 . 1 1 A 57 57 ASN H H 117 8.140 8.189 -0.049 2
1 641 . 1 1 A 57 57 ASN HA H 117 4.340 4.495 -0.155 2
1 646 . 1 1 A 57 57 ASN C C 117 177.570 177.433 0.137 2
1 647 . 1 1 A 57 57 ASN CA C 117 55.890 56.180 -0.290 2
1 648 . 1 1 A 57 57 ASN CB C 117 38.070 38.761 -0.691 2
1 649 . 1 1 A 57 57 ASN N N 117 116.920 118.291 -1.371 2
1 651 . 1 1 A 58 58 LEU H H 118 7.890 7.726 0.164 2
1 652 . 1 1 A 58 58 LEU HA H 118 3.930 3.974 -0.044 2
1 662 . 1 1 A 58 58 LEU C C 118 179.400 178.752 0.648 2
1 663 . 1 1 A 58 58 LEU CA C 118 58.420 57.979 0.441 2
1 664 . 1 1 A 58 58 LEU CB C 118 43.170 41.546 1.624 2
1 668 . 1 1 A 58 58 LEU N N 118 123.590 120.087 3.503 2
1 669 . 1 1 A 59 59 ILE H H 119 8.360 7.976 0.384 2
1 670 . 1 1 A 59 59 ILE HA H 119 3.470 3.873 -0.403 2
1 680 . 1 1 A 59 59 ILE C C 119 177.290 178.204 -0.914 2
1 681 . 1 1 A 59 59 ILE CA C 119 65.260 64.131 1.129 2
1 682 . 1 1 A 59 59 ILE CB C 119 38.330 37.806 0.524 2
1 686 . 1 1 A 59 59 ILE N N 119 118.630 119.098 -0.468 2
1 687 . 1 1 A 60 60 GLN H H 120 7.830 8.357 -0.527 2
1 688 . 1 1 A 60 60 GLN HA H 120 4.130 4.021 0.109 2
1 694 . 1 1 A 60 60 GLN C C 120 177.240 177.563 -0.323 2
1 695 . 1 1 A 60 60 GLN CA C 120 57.750 59.021 -1.271 2
1 696 . 1 1 A 60 60 GLN CB C 120 28.910 28.472 0.438 2
1 698 . 1 1 A 60 60 GLN N N 120 117.840 120.258 -2.418 2
1 700 . 1 1 A 61 61 SER H H 121 7.790 7.792 -0.002 2
1 701 . 1 1 A 61 61 SER HA H 121 4.300 4.631 -0.331 2
1 703 . 1 1 A 61 61 SER C C 121 175.650 174.576 1.074 2
1 704 . 1 1 A 61 61 SER CA C 121 60.090 58.422 1.668 2
1 705 . 1 1 A 61 61 SER CB C 121 63.570 62.757 0.813 2
1 706 . 1 1 A 61 61 SER N N 121 115.460 113.918 1.542 2
1 707 . 1 1 A 62 62 VAL H H 122 8.020 7.658 0.362 2
1 708 . 1 1 A 62 62 VAL HA H 122 4.020 4.114 -0.094 2
1 716 . 1 1 A 62 62 VAL C C 122 176.960 176.744 0.216 2
1 717 . 1 1 A 62 62 VAL CA C 122 63.600 63.757 -0.157 2
1 718 . 1 1 A 62 62 VAL CB C 122 32.300 33.211 -0.911 2
1 721 . 1 1 A 62 62 VAL N N 122 121.600 120.917 0.683 2
1 722 . 1 1 A 63 63 ARG H H 123 8.130 7.950 0.180 2
1 723 . 1 1 A 63 63 ARG HA H 123 4.190 4.395 -0.205 2
1 729 . 1 1 A 63 63 ARG C C 123 176.490 175.519 0.971 2
1 730 . 1 1 A 63 63 ARG CA C 123 57.070 55.600 1.470 2
1 731 . 1 1 A 63 63 ARG CB C 123 30.780 30.307 0.473 2
1 734 . 1 1 A 63 63 ARG N N 123 122.770 119.404 3.366 2
1 735 . 1 1 A 64 64 ASN H H 124 8.210 7.924 0.286 2
1 736 . 1 1 A 64 64 ASN HA H 124 4.650 4.899 -0.249 2
1 741 . 1 1 A 64 64 ASN C C 124 175.310 174.601 0.709 2
1 742 . 1 1 A 64 64 ASN CA C 124 53.500 52.895 0.605 2
1 743 . 1 1 A 64 64 ASN CB C 124 38.840 39.106 -0.266 2
1 744 . 1 1 A 64 64 ASN N N 124 119.350 117.861 1.489 2
1 746 . 1 1 A 65 65 ARG H H 125 8.100 8.353 -0.253 2
1 747 . 1 1 A 65 65 ARG HA H 125 4.270 4.564 -0.294 2
1 752 . 1 1 A 65 65 ARG C C 125 176.310 175.906 0.404 2
1 753 . 1 1 A 65 65 ARG CA C 125 56.580 55.963 0.617 2
1 754 . 1 1 A 65 65 ARG CB C 125 30.810 31.711 -0.901 2
1 757 . 1 1 A 65 65 ARG N N 125 122.230 123.023 -0.793 2
1 758 . 1 1 A 66 66 ARG H H 126 8.260 8.298 -0.038 2
1 759 . 1 1 A 66 66 ARG HA H 126 4.270 4.548 -0.278 2
1 764 . 1 1 A 66 66 ARG C C 126 176.210 175.599 0.611 2
1 765 . 1 1 A 66 66 ARG CA C 126 56.190 55.862 0.328 2
1 766 . 1 1 A 66 66 ARG CB C 126 30.810 31.855 -1.045 2
1 769 . 1 1 A 66 66 ARG N N 126 122.760 121.560 1.200 2
1 770 . 1 1 A 67 67 LYS H H 127 8.270 8.222 0.048 2
1 771 . 1 1 A 67 67 LYS HA H 127 4.260 4.329 -0.069 2
1 776 . 1 1 A 67 67 LYS C C 127 176.450 175.715 0.735 2
1 777 . 1 1 A 67 67 LYS CA C 127 56.320 56.642 -0.322 2
1 778 . 1 1 A 67 67 LYS CB C 127 33.180 32.598 0.582 2
1 782 . 1 1 A 67 67 LYS N N 127 123.620 120.237 3.383 2
1 783 . 1 1 A 68 68 ARG H H 128 8.340 8.289 0.051 2
1 784 . 1 1 A 68 68 ARG HA H 128 4.270 4.533 -0.263 2
1 788 . 1 1 A 68 68 ARG C C 128 176.250 175.858 0.392 2
1 789 . 1 1 A 68 68 ARG CA C 128 56.130 56.021 0.109 2
1 790 . 1 1 A 68 68 ARG CB C 128 31.060 31.513 -0.453 2
1 793 . 1 1 A 68 68 ARG N N 128 123.750 121.027 2.723 2
1 794 . 1 1 A 69 69 LYS H H 129 8.450 8.504 -0.054 2
1 795 . 1 1 A 69 69 LYS HA H 129 4.250 4.423 -0.173 2
1 800 . 1 1 A 69 69 LYS C C 129 177.010 176.453 0.557 2
1 801 . 1 1 A 69 69 LYS CA C 129 57.000 57.101 -0.101 2
1 802 . 1 1 A 69 69 LYS CB C 129 32.940 33.510 -0.570 2
1 806 . 1 1 A 69 69 LYS N N 129 124.580 120.247 4.333 2
1 807 . 1 1 A 70 70 GLY H H 130 8.500 7.721 0.779 2
1 808 . 1 1 A 70 70 GLY HA2 H 130 3.910 4.077 -0.167 2
1 809 . 1 1 A 70 70 GLY HA3 H 130 4.010 4.078 -0.068 2
1 810 . 1 1 A 70 70 GLY C C 130 173.360 173.533 -0.173 2
1 811 . 1 1 A 70 70 GLY CA C 130 45.370 45.467 -0.097 2
1 812 . 1 1 A 70 70 GLY N N 130 112.470 107.121 5.349 2
stop_
save_