data_7365_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 7365
_Entry.PDB_ID 2E45
_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 25
_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 8 . 1 1 1 A 7 7 SER H H 2 8.110 7.598 0.512 1
1 9 . 1 1 1 A 7 7 SER HA H 2 4.360 4.701 -0.341 1
1 12 . 1 1 1 A 7 7 SER CA C 2 58.690 56.588 2.102 1
1 13 . 1 1 1 A 7 7 SER CB C 2 63.740 63.647 0.093 1
1 14 . 1 1 1 A 7 7 SER N N 2 115.530 113.638 1.892 1
1 15 . 1 1 1 A 8 8 PHE H H 3 8.100 9.241 -1.141 1
1 16 . 1 1 1 A 8 8 PHE HA H 3 4.580 4.117 0.463 1
1 21 . 1 1 1 A 8 8 PHE CA C 3 57.940 59.273 -1.333 1
1 22 . 1 1 1 A 8 8 PHE CB C 3 39.440 36.557 2.883 1
1 23 . 1 1 1 A 8 8 PHE N N 3 121.690 125.760 -4.070 1
1 24 . 1 1 1 A 9 9 TRP H H 4 7.960 8.388 -0.428 1
1 25 . 1 1 1 A 9 9 TRP HA H 4 4.580 4.309 0.271 1
1 33 . 1 1 1 A 9 9 TRP CA C 4 57.320 57.864 -0.544 1
1 34 . 1 1 1 A 9 9 TRP CB C 4 29.740 27.206 2.534 1
1 35 . 1 1 1 A 9 9 TRP N N 4 122.750 113.496 9.254 1
1 36 . 1 1 1 A 10 10 ASN H H 5 7.960 8.043 -0.083 1
1 37 . 1 1 1 A 10 10 ASN HA H 5 4.770 4.858 -0.088 1
1 42 . 1 1 1 A 10 10 ASN CA C 5 50.520 52.317 -1.797 1
1 43 . 1 1 1 A 10 10 ASN CB C 5 39.570 38.516 1.054 1
1 44 . 1 1 1 A 10 10 ASN N N 5 122.600 117.500 5.100 1
1 46 . 1 1 1 A 11 11 PRO HA H 6 4.090 4.561 -0.471 1
1 53 . 1 1 1 A 11 11 PRO CA C 6 63.660 64.662 -1.002 1
1 54 . 1 1 1 A 11 11 PRO CB C 6 32.160 32.125 0.035 1
1 57 . 1 1 1 A 12 12 ASN H H 7 8.100 8.044 0.056 1
1 58 . 1 1 1 A 12 12 ASN HA H 7 4.640 4.495 0.145 1
1 63 . 1 1 1 A 12 12 ASN CA C 7 53.330 55.825 -2.495 1
1 64 . 1 1 1 A 12 12 ASN CB C 7 38.910 38.803 0.107 1
1 65 . 1 1 1 A 12 12 ASN N N 7 116.820 116.382 0.438 1
1 67 . 1 1 1 A 13 13 ALA H H 8 7.760 7.785 -0.025 1
1 68 . 1 1 1 A 13 13 ALA HA H 8 4.190 3.999 0.191 1
1 72 . 1 1 1 A 13 13 ALA CA C 8 52.840 54.104 -1.264 1
1 73 . 1 1 1 A 13 13 ALA CB C 8 19.240 17.663 1.577 1
1 74 . 1 1 1 A 13 13 ALA N N 8 123.280 120.631 2.649 1
1 75 . 1 1 1 A 14 14 PHE H H 9 7.980 8.542 -0.562 1
1 76 . 1 1 1 A 14 14 PHE HA H 9 4.680 4.825 -0.145 1
1 81 . 1 1 1 A 14 14 PHE CA C 9 57.310 56.610 0.700 1
1 82 . 1 1 1 A 14 14 PHE CB C 9 39.790 38.346 1.444 1
1 83 . 1 1 1 A 14 14 PHE N N 9 118.120 117.586 0.534 1
1 84 . 1 1 1 A 15 15 GLU H H 10 8.340 7.023 1.317 1
1 85 . 1 1 1 A 15 15 GLU HA H 10 4.410 4.629 -0.219 1
1 90 . 1 1 1 A 15 15 GLU CA C 10 56.550 55.300 1.250 1
1 91 . 1 1 1 A 15 15 GLU CB C 10 30.750 30.288 0.462 1
1 93 . 1 1 1 A 15 15 GLU N N 10 122.120 118.026 4.094 1
1 94 . 1 1 1 A 16 16 THR H H 11 8.230 8.717 -0.487 1
1 95 . 1 1 1 A 16 16 THR HA H 11 4.380 4.569 -0.189 1
1 100 . 1 1 1 A 16 16 THR CA C 11 61.900 61.754 0.146 1
1 101 . 1 1 1 A 16 16 THR CB C 11 69.890 69.513 0.377 1
1 103 . 1 1 1 A 16 16 THR N N 11 114.830 115.060 -0.230 1
1 104 . 1 1 1 A 17 17 ASP H H 12 8.480 8.536 -0.056 1
1 105 . 1 1 1 A 17 17 ASP HA H 12 4.710 4.673 0.037 1
1 108 . 1 1 1 A 17 17 ASP CA C 12 54.650 53.160 1.490 1
1 109 . 1 1 1 A 17 17 ASP CB C 12 41.480 41.425 0.055 1
1 110 . 1 1 1 A 17 17 ASP N N 12 122.650 122.389 0.261 1
1 111 . 1 1 1 A 18 18 SER H H 13 8.330 8.544 -0.214 1
1 112 . 1 1 1 A 18 18 SER HA H 13 4.430 4.528 -0.098 1
1 115 . 1 1 1 A 18 18 SER CA C 13 59.130 59.003 0.127 1
1 116 . 1 1 1 A 18 18 SER CB C 13 63.900 63.828 0.072 1
1 117 . 1 1 1 A 18 18 SER N N 13 116.280 113.469 2.811 1
1 118 . 1 1 1 A 19 19 ASP H H 14 8.560 7.774 0.786 1
1 119 . 1 1 1 A 19 19 ASP HA H 14 4.630 4.853 -0.223 1
1 122 . 1 1 1 A 19 19 ASP CA C 14 54.300 53.683 0.617 1
1 123 . 1 1 1 A 19 19 ASP CB C 14 40.820 40.973 -0.153 1
1 124 . 1 1 1 A 19 19 ASP N N 14 121.330 119.920 1.410 1
1 125 . 1 1 1 A 20 20 LEU H H 15 7.990 7.929 0.061 1
1 126 . 1 1 1 A 20 20 LEU HA H 15 4.630 4.447 0.183 1
1 136 . 1 1 1 A 20 20 LEU CA C 15 52.640 53.366 -0.726 1
1 137 . 1 1 1 A 20 20 LEU CB C 15 42.530 40.980 1.550 1
1 141 . 1 1 1 A 20 20 LEU N N 15 121.650 122.844 -1.194 1
1 142 . 1 1 1 A 21 21 PRO HA H 16 4.570 4.614 -0.044 1
1 149 . 1 1 1 A 21 21 PRO CA C 16 62.080 62.289 -0.209 1
1 150 . 1 1 1 A 21 21 PRO CB C 16 31.760 33.117 -1.357 1
1 153 . 1 1 1 A 22 22 ALA H H 17 8.410 8.305 0.105 1
1 154 . 1 1 1 A 22 22 ALA HA H 17 4.210 4.286 -0.076 1
1 158 . 1 1 1 A 22 22 ALA CA C 17 53.950 53.262 0.688 1
1 159 . 1 1 1 A 22 22 ALA CB C 17 18.650 19.039 -0.389 1
1 160 . 1 1 1 A 22 22 ALA N N 17 122.940 124.059 -1.119 1
1 161 . 1 1 1 A 23 23 GLY H H 18 8.710 8.792 -0.082 1
1 162 . 1 1 1 A 23 23 GLY HA2 H 18 3.460 3.854 -0.394 1
1 163 . 1 1 1 A 23 23 GLY HA3 H 18 3.890 3.897 -0.007 1
1 164 . 1 1 1 A 23 23 GLY CA C 18 45.110 45.135 -0.025 1
1 165 . 1 1 1 A 23 23 GLY N N 18 110.320 110.541 -0.221 1
1 166 . 1 1 1 A 24 24 TRP H H 19 7.810 7.927 -0.117 1
1 167 . 1 1 1 A 24 24 TRP HA H 19 5.520 5.090 0.430 1
1 175 . 1 1 1 A 24 24 TRP CA C 19 57.020 56.114 0.906 1
1 176 . 1 1 1 A 24 24 TRP CB C 19 32.270 32.792 -0.522 1
1 177 . 1 1 1 A 24 24 TRP N N 19 118.390 120.467 -2.077 1
1 178 . 1 1 1 A 25 25 MET H H 20 9.570 9.017 0.553 1
1 179 . 1 1 1 A 25 25 MET HA H 20 4.940 5.314 -0.374 1
1 184 . 1 1 1 A 25 25 MET CA C 20 54.390 54.127 0.263 1
1 185 . 1 1 1 A 25 25 MET CB C 20 37.220 36.629 0.591 1
1 187 . 1 1 1 A 25 25 MET N N 20 119.380 121.373 -1.993 1
1 188 . 1 1 1 A 26 26 ARG H H 21 8.880 8.767 0.113 1
1 189 . 1 1 1 A 26 26 ARG HA H 21 4.490 4.710 -0.220 1
1 196 . 1 1 1 A 26 26 ARG CA C 21 55.570 54.559 1.011 1
1 197 . 1 1 1 A 26 26 ARG CB C 21 31.880 32.380 -0.500 1
1 200 . 1 1 1 A 26 26 ARG N N 21 124.980 123.151 1.829 1
1 201 . 1 1 1 A 27 27 VAL H H 22 8.860 8.153 0.707 1
1 202 . 1 1 1 A 27 27 VAL HA H 22 3.960 4.766 -0.806 1
1 210 . 1 1 1 A 27 27 VAL CA C 22 61.320 59.962 1.358 1
1 211 . 1 1 1 A 27 27 VAL CB C 22 33.470 33.983 -0.513 1
1 214 . 1 1 1 A 27 27 VAL N N 22 128.370 126.475 1.895 1
1 215 . 1 1 1 A 28 28 GLN H H 23 8.230 8.582 -0.352 1
1 216 . 1 1 1 A 28 28 GLN HA H 23 4.980 4.742 0.238 1
1 223 . 1 1 1 A 28 28 GLN CA C 23 54.520 54.217 0.303 1
1 224 . 1 1 1 A 28 28 GLN CB C 23 30.560 29.368 1.192 1
1 226 . 1 1 1 A 28 28 GLN N N 23 123.980 124.581 -0.601 1
1 228 . 1 1 1 A 29 29 ASP H H 24 8.710 8.394 0.316 1
1 229 . 1 1 1 A 29 29 ASP HA H 24 4.900 4.831 0.069 1
1 232 . 1 1 1 A 29 29 ASP CA C 24 53.040 54.450 -1.410 1
1 233 . 1 1 1 A 29 29 ASP CB C 24 42.730 42.272 0.458 1
1 234 . 1 1 1 A 29 29 ASP N N 24 126.160 127.520 -1.360 1
1 235 . 1 1 1 A 30 30 THR H H 25 8.250 8.555 -0.305 1
1 236 . 1 1 1 A 30 30 THR HA H 25 4.120 4.156 -0.036 1
1 241 . 1 1 1 A 30 30 THR CA C 25 65.160 65.188 -0.028 1
1 242 . 1 1 1 A 30 30 THR CB C 25 68.870 68.963 -0.093 1
1 244 . 1 1 1 A 30 30 THR N N 25 112.460 119.358 -6.898 1
1 245 . 1 1 1 A 31 31 SER H H 26 8.940 8.291 0.649 1
1 246 . 1 1 1 A 31 31 SER HA H 26 4.560 4.355 0.205 1
1 249 . 1 1 1 A 31 31 SER CA C 26 59.690 60.346 -0.656 1
1 250 . 1 1 1 A 31 31 SER CB C 26 64.170 63.760 0.410 1
1 251 . 1 1 1 A 31 31 SER N N 26 117.280 113.888 3.392 1
1 252 . 1 1 1 A 32 32 GLY H H 27 7.890 7.272 0.618 1
1 253 . 1 1 1 A 32 32 GLY HA2 H 27 3.950 4.174 -0.224 1
1 254 . 1 1 1 A 32 32 GLY HA3 H 27 4.760 4.262 0.498 1
1 255 . 1 1 1 A 32 32 GLY CA C 27 44.820 45.475 -0.655 1
1 256 . 1 1 1 A 32 32 GLY N N 27 110.950 106.228 4.722 1
1 257 . 1 1 1 A 33 33 THR H H 28 8.460 8.666 -0.206 1
1 258 . 1 1 1 A 33 33 THR HA H 28 5.230 5.096 0.134 1
1 263 . 1 1 1 A 33 33 THR CA C 28 61.750 63.275 -1.525 1
1 264 . 1 1 1 A 33 33 THR CB C 28 70.530 68.760 1.770 1
1 266 . 1 1 1 A 33 33 THR N N 28 117.690 116.364 1.326 1
1 267 . 1 1 1 A 34 34 TYR H H 29 8.700 8.510 0.190 1
1 268 . 1 1 1 A 34 34 TYR HA H 29 4.670 5.091 -0.421 1
1 275 . 1 1 1 A 34 34 TYR CA C 29 55.500 55.112 0.388 1
1 276 . 1 1 1 A 34 34 TYR CB C 29 38.140 40.540 -2.400 1
1 277 . 1 1 1 A 34 34 TYR N N 29 123.420 125.005 -1.585 1
1 278 . 1 1 1 A 35 35 TYR H H 30 8.920 8.521 0.399 1
1 279 . 1 1 1 A 35 35 TYR HA H 30 5.330 5.673 -0.343 1
1 286 . 1 1 1 A 35 35 TYR CA C 30 57.550 56.532 1.018 1
1 287 . 1 1 1 A 35 35 TYR CB C 30 41.270 42.237 -0.967 1
1 288 . 1 1 1 A 35 35 TYR N N 30 116.920 116.309 0.611 1
1 289 . 1 1 1 A 36 36 TRP H H 31 9.580 8.836 0.744 1
1 290 . 1 1 1 A 36 36 TRP HA H 31 5.740 5.519 0.221 1
1 299 . 1 1 1 A 36 36 TRP CA C 31 54.290 55.648 -1.358 1
1 300 . 1 1 1 A 36 36 TRP CB C 31 33.420 31.565 1.855 1
1 301 . 1 1 1 A 36 36 TRP N N 31 126.100 125.383 0.717 1
1 303 . 1 1 1 A 37 37 HIS H H 32 8.950 9.011 -0.061 1
1 304 . 1 1 1 A 37 37 HIS HA H 32 3.940 3.859 0.081 1
1 309 . 1 1 1 A 37 37 HIS CA C 32 55.050 54.579 0.471 1
1 310 . 1 1 1 A 37 37 HIS CB C 32 29.110 29.385 -0.275 1
1 311 . 1 1 1 A 37 37 HIS N N 32 130.940 126.895 4.045 1
1 312 . 1 1 1 A 38 38 ILE H H 33 8.130 7.993 0.137 1
1 313 . 1 1 1 A 38 38 ILE HA H 33 2.920 3.261 -0.341 1
1 323 . 1 1 1 A 38 38 ILE CA C 33 65.700 65.966 -0.266 1
1 324 . 1 1 1 A 38 38 ILE CB C 33 35.350 35.127 0.223 1
1 328 . 1 1 1 A 38 38 ILE N N 33 127.650 126.514 1.136 1
1 329 . 1 1 1 A 39 39 PRO HA H 34 4.120 4.096 0.024 1
1 336 . 1 1 1 A 39 39 PRO CA C 34 65.700 66.274 -0.574 1
1 337 . 1 1 1 A 39 39 PRO CB C 34 32.150 30.633 1.517 1
1 340 . 1 1 1 A 40 40 THR H H 35 6.470 7.163 -0.693 1
1 341 . 1 1 1 A 40 40 THR HA H 35 4.510 4.241 0.269 1
1 346 . 1 1 1 A 40 40 THR CA C 35 61.240 62.891 -1.651 1
1 347 . 1 1 1 A 40 40 THR CB C 35 72.280 69.359 2.921 1
1 349 . 1 1 1 A 40 40 THR N N 35 100.770 110.631 -9.861 1
1 350 . 1 1 1 A 41 41 GLY H H 36 8.530 7.810 0.720 1
1 351 . 1 1 1 A 41 41 GLY HA2 H 36 3.660 4.051 -0.391 1
1 352 . 1 1 1 A 41 41 GLY HA3 H 36 4.210 4.181 0.029 1
1 353 . 1 1 1 A 41 41 GLY CA C 36 46.220 45.381 0.839 1
1 354 . 1 1 1 A 41 41 GLY N N 36 113.280 110.282 2.998 1
1 355 . 1 1 1 A 42 42 THR H H 37 7.460 7.621 -0.161 1
1 356 . 1 1 1 A 42 42 THR HA H 37 4.260 4.325 -0.065 1
1 361 . 1 1 1 A 42 42 THR CA C 37 63.660 63.068 0.592 1
1 362 . 1 1 1 A 42 42 THR CB C 37 69.960 70.023 -0.063 1
1 364 . 1 1 1 A 42 42 THR N N 37 115.720 116.496 -0.776 1
1 365 . 1 1 1 A 43 43 THR H H 38 8.420 8.751 -0.331 1
1 366 . 1 1 1 A 43 43 THR HA H 38 5.920 5.554 0.366 1
1 371 . 1 1 1 A 43 43 THR CA C 38 59.560 59.383 0.177 1
1 372 . 1 1 1 A 43 43 THR CB C 38 72.140 72.081 0.059 1
1 374 . 1 1 1 A 43 43 THR N N 38 116.010 113.861 2.149 1
1 375 . 1 1 1 A 44 44 GLN H H 39 9.180 8.661 0.519 1
1 376 . 1 1 1 A 44 44 GLN HA H 39 4.930 5.087 -0.157 1
1 383 . 1 1 1 A 44 44 GLN CA C 39 54.890 53.852 1.038 1
1 384 . 1 1 1 A 44 44 GLN CB C 39 32.550 32.764 -0.214 1
1 386 . 1 1 1 A 44 44 GLN N N 39 116.860 118.497 -1.637 1
1 388 . 1 1 1 A 45 45 TRP H H 40 8.890 8.841 0.049 1
1 389 . 1 1 1 A 45 45 TRP HA H 40 4.820 5.229 -0.409 1
1 397 . 1 1 1 A 45 45 TRP CA C 40 59.410 57.325 2.085 1
1 398 . 1 1 1 A 45 45 TRP CB C 40 30.270 31.279 -1.009 1
1 399 . 1 1 1 A 45 45 TRP N N 40 121.200 119.129 2.071 1
1 400 . 1 1 1 A 46 46 GLU H H 41 7.970 8.056 -0.086 1
1 401 . 1 1 1 A 46 46 GLU HA H 41 4.720 4.819 -0.099 1
1 406 . 1 1 1 A 46 46 GLU CA C 41 54.070 53.322 0.748 1
1 407 . 1 1 1 A 46 46 GLU CB C 41 29.640 30.974 -1.334 1
1 409 . 1 1 1 A 46 46 GLU N N 41 119.500 119.422 0.078 1
1 410 . 1 1 1 A 47 47 PRO HA H 42 2.900 4.104 -1.204 1
1 417 . 1 1 1 A 47 47 PRO CA C 42 60.700 62.093 -1.393 1
1 418 . 1 1 1 A 47 47 PRO CB C 42 29.760 31.505 -1.745 1
1 421 . 1 1 1 A 48 48 PRO HA H 43 3.770 4.395 -0.625 1
1 428 . 1 1 1 A 48 48 PRO CA C 43 61.890 62.400 -0.510 1
1 429 . 1 1 1 A 48 48 PRO CB C 43 30.880 30.922 -0.042 1
1 432 . 1 1 1 A 49 49 GLY H H 44 8.020 8.200 -0.180 1
1 433 . 1 1 1 A 49 49 GLY HA2 H 44 3.770 4.038 -0.268 1
1 434 . 1 1 1 A 49 49 GLY HA3 H 44 3.770 4.044 -0.274 1
1 435 . 1 1 1 A 49 49 GLY CA C 44 44.770 45.726 -0.956 1
1 436 . 1 1 1 A 49 49 GLY N N 44 107.850 108.816 -0.966 1
1 437 . 1 1 1 A 50 50 ARG H H 45 7.980 8.463 -0.483 1
1 438 . 1 1 1 A 50 50 ARG HA H 45 4.280 4.475 -0.195 1
1 445 . 1 1 1 A 50 50 ARG CA C 45 55.730 56.356 -0.626 1
1 446 . 1 1 1 A 50 50 ARG CB C 45 31.150 30.508 0.642 1
1 449 . 1 1 1 A 50 50 ARG N N 45 119.870 124.285 -4.415 1
1 450 . 1 1 1 A 51 51 ALA H H 46 8.340 8.478 -0.138 1
1 451 . 1 1 1 A 51 51 ALA HA H 46 4.330 4.801 -0.471 1
1 455 . 1 1 1 A 51 51 ALA CA C 46 52.290 51.319 0.971 1
1 456 . 1 1 1 A 51 51 ALA CB C 46 19.450 20.074 -0.624 1
1 457 . 1 1 1 A 51 51 ALA N N 46 125.360 130.083 -4.723 1
1 458 . 1 1 1 A 52 52 SER H H 47 8.360 8.705 -0.345 1
1 459 . 1 1 1 A 52 52 SER HA H 47 4.730 5.133 -0.403 1
1 462 . 1 1 1 A 52 52 SER CA C 47 56.520 55.164 1.356 1
1 463 . 1 1 1 A 52 52 SER CB C 47 63.460 63.817 -0.357 1
1 464 . 1 1 1 A 52 52 SER N N 47 117.200 116.698 0.502 1
1 465 . 1 1 1 A 53 53 PRO HA H 48 4.490 4.440 0.050 1
1 472 . 1 1 1 A 53 53 PRO CA C 48 63.450 64.058 -0.608 1
1 473 . 1 1 1 A 53 53 PRO CB C 48 32.280 31.805 0.475 1
1 476 . 1 1 1 A 54 54 SER H H 49 8.420 8.518 -0.098 1
1 477 . 1 1 1 A 54 54 SER HA H 49 4.440 4.376 0.064 1
1 480 . 1 1 1 A 54 54 SER CA C 49 58.490 60.030 -1.540 1
1 481 . 1 1 1 A 54 54 SER CB C 49 63.990 63.882 0.108 1
1 482 . 1 1 1 A 54 54 SER N N 49 116.680 113.348 3.332 1
1 8 . 2 1 1 A 7 7 SER H H 2 8.110 7.532 0.578 1
1 9 . 2 1 1 A 7 7 SER HA H 2 4.360 4.742 -0.382 1
1 12 . 2 1 1 A 7 7 SER CA C 2 58.690 56.514 2.176 1
1 13 . 2 1 1 A 7 7 SER CB C 2 63.740 64.151 -0.411 1
1 14 . 2 1 1 A 7 7 SER N N 2 115.530 115.374 0.156 1
1 15 . 2 1 1 A 8 8 PHE H H 3 8.100 8.269 -0.169 1
1 16 . 2 1 1 A 8 8 PHE HA H 3 4.580 4.954 -0.374 1
1 21 . 2 1 1 A 8 8 PHE CA C 3 57.940 56.617 1.323 1
1 22 . 2 1 1 A 8 8 PHE CB C 3 39.440 39.256 0.184 1
1 23 . 2 1 1 A 8 8 PHE N N 3 121.690 126.444 -4.754 1
1 24 . 2 1 1 A 9 9 TRP H H 4 7.960 7.578 0.382 1
1 25 . 2 1 1 A 9 9 TRP HA H 4 4.580 4.738 -0.158 1
1 33 . 2 1 1 A 9 9 TRP CA C 4 57.320 57.928 -0.608 1
1 34 . 2 1 1 A 9 9 TRP CB C 4 29.740 30.306 -0.566 1
1 35 . 2 1 1 A 9 9 TRP N N 4 122.750 121.604 1.146 1
1 36 . 2 1 1 A 10 10 ASN H H 5 7.960 8.650 -0.690 1
1 37 . 2 1 1 A 10 10 ASN HA H 5 4.770 5.162 -0.392 1
1 42 . 2 1 1 A 10 10 ASN CA C 5 50.520 50.197 0.323 1
1 43 . 2 1 1 A 10 10 ASN CB C 5 39.570 39.736 -0.166 1
1 44 . 2 1 1 A 10 10 ASN N N 5 122.600 121.229 1.371 1
1 46 . 2 1 1 A 11 11 PRO HA H 6 4.090 4.514 -0.424 1
1 53 . 2 1 1 A 11 11 PRO CA C 6 63.660 64.574 -0.914 1
1 54 . 2 1 1 A 11 11 PRO CB C 6 32.160 32.029 0.131 1
1 57 . 2 1 1 A 12 12 ASN H H 7 8.100 8.401 -0.301 1
1 58 . 2 1 1 A 12 12 ASN HA H 7 4.640 4.557 0.083 1
1 63 . 2 1 1 A 12 12 ASN CA C 7 53.330 54.879 -1.549 1
1 64 . 2 1 1 A 12 12 ASN CB C 7 38.910 38.553 0.357 1
1 65 . 2 1 1 A 12 12 ASN N N 7 116.820 116.096 0.724 1
1 67 . 2 1 1 A 13 13 ALA H H 8 7.760 7.658 0.102 1
1 68 . 2 1 1 A 13 13 ALA HA H 8 4.190 4.335 -0.145 1
1 72 . 2 1 1 A 13 13 ALA CA C 8 52.840 51.574 1.266 1
1 73 . 2 1 1 A 13 13 ALA CB C 8 19.240 19.962 -0.722 1
1 74 . 2 1 1 A 13 13 ALA N N 8 123.280 121.973 1.307 1
1 75 . 2 1 1 A 14 14 PHE H H 9 7.980 8.744 -0.764 1
1 76 . 2 1 1 A 14 14 PHE HA H 9 4.680 4.805 -0.125 1
1 81 . 2 1 1 A 14 14 PHE CA C 9 57.310 57.314 -0.004 1
1 82 . 2 1 1 A 14 14 PHE CB C 9 39.790 39.357 0.433 1
1 83 . 2 1 1 A 14 14 PHE N N 9 118.120 117.825 0.295 1
1 84 . 2 1 1 A 15 15 GLU H H 10 8.340 8.494 -0.154 1
1 85 . 2 1 1 A 15 15 GLU HA H 10 4.410 4.194 0.216 1
1 90 . 2 1 1 A 15 15 GLU CA C 10 56.550 57.191 -0.641 1
1 91 . 2 1 1 A 15 15 GLU CB C 10 30.750 29.827 0.923 1
1 93 . 2 1 1 A 15 15 GLU N N 10 122.120 124.356 -2.236 1
1 94 . 2 1 1 A 16 16 THR H H 11 8.230 8.289 -0.059 1
1 95 . 2 1 1 A 16 16 THR HA H 11 4.380 4.536 -0.156 1
1 100 . 2 1 1 A 16 16 THR CA C 11 61.900 61.062 0.838 1
1 101 . 2 1 1 A 16 16 THR CB C 11 69.890 69.519 0.371 1
1 103 . 2 1 1 A 16 16 THR N N 11 114.830 116.728 -1.898 1
1 104 . 2 1 1 A 17 17 ASP H H 12 8.480 8.238 0.242 1
1 105 . 2 1 1 A 17 17 ASP HA H 12 4.710 4.521 0.189 1
1 108 . 2 1 1 A 17 17 ASP CA C 12 54.650 54.883 -0.233 1
1 109 . 2 1 1 A 17 17 ASP CB C 12 41.480 40.968 0.512 1
1 110 . 2 1 1 A 17 17 ASP N N 12 122.650 123.131 -0.481 1
1 111 . 2 1 1 A 18 18 SER H H 13 8.330 8.857 -0.527 1
1 112 . 2 1 1 A 18 18 SER HA H 13 4.430 4.254 0.176 1
1 115 . 2 1 1 A 18 18 SER CA C 13 59.130 60.054 -0.924 1
1 116 . 2 1 1 A 18 18 SER CB C 13 63.900 63.378 0.522 1
1 117 . 2 1 1 A 18 18 SER N N 13 116.280 116.117 0.163 1
1 118 . 2 1 1 A 19 19 ASP H H 14 8.560 7.896 0.664 1
1 119 . 2 1 1 A 19 19 ASP HA H 14 4.630 4.812 -0.182 1
1 122 . 2 1 1 A 19 19 ASP CA C 14 54.300 53.600 0.700 1
1 123 . 2 1 1 A 19 19 ASP CB C 14 40.820 41.084 -0.264 1
1 124 . 2 1 1 A 19 19 ASP N N 14 121.330 120.492 0.838 1
1 125 . 2 1 1 A 20 20 LEU H H 15 7.990 7.921 0.069 1
1 126 . 2 1 1 A 20 20 LEU HA H 15 4.630 4.532 0.098 1
1 136 . 2 1 1 A 20 20 LEU CA C 15 52.640 52.805 -0.165 1
1 137 . 2 1 1 A 20 20 LEU CB C 15 42.530 41.178 1.352 1
1 141 . 2 1 1 A 20 20 LEU N N 15 121.650 121.630 0.020 1
1 142 . 2 1 1 A 21 21 PRO HA H 16 4.570 4.648 -0.078 1
1 149 . 2 1 1 A 21 21 PRO CA C 16 62.080 62.344 -0.264 1
1 150 . 2 1 1 A 21 21 PRO CB C 16 31.760 33.274 -1.514 1
1 153 . 2 1 1 A 22 22 ALA H H 17 8.410 8.338 0.072 1
1 154 . 2 1 1 A 22 22 ALA HA H 17 4.210 4.629 -0.419 1
1 158 . 2 1 1 A 22 22 ALA CA C 17 53.950 52.389 1.561 1
1 159 . 2 1 1 A 22 22 ALA CB C 17 18.650 19.785 -1.135 1
1 160 . 2 1 1 A 22 22 ALA N N 17 122.940 122.997 -0.057 1
1 161 . 2 1 1 A 23 23 GLY H H 18 8.710 8.696 0.014 1
1 162 . 2 1 1 A 23 23 GLY HA2 H 18 3.460 3.822 -0.362 1
1 163 . 2 1 1 A 23 23 GLY HA3 H 18 3.890 3.865 0.025 1
1 164 . 2 1 1 A 23 23 GLY CA C 18 45.110 44.940 0.170 1
1 165 . 2 1 1 A 23 23 GLY N N 18 110.320 110.262 0.058 1
1 166 . 2 1 1 A 24 24 TRP H H 19 7.810 8.031 -0.221 1
1 167 . 2 1 1 A 24 24 TRP HA H 19 5.520 5.182 0.338 1
1 175 . 2 1 1 A 24 24 TRP CA C 19 57.020 56.225 0.795 1
1 176 . 2 1 1 A 24 24 TRP CB C 19 32.270 32.414 -0.144 1
1 177 . 2 1 1 A 24 24 TRP N N 19 118.390 120.491 -2.101 1
1 178 . 2 1 1 A 25 25 MET H H 20 9.570 9.113 0.457 1
1 179 . 2 1 1 A 25 25 MET HA H 20 4.940 5.247 -0.307 1
1 184 . 2 1 1 A 25 25 MET CA C 20 54.390 54.119 0.271 1
1 185 . 2 1 1 A 25 25 MET CB C 20 37.220 36.868 0.352 1
1 187 . 2 1 1 A 25 25 MET N N 20 119.380 120.869 -1.489 1
1 188 . 2 1 1 A 26 26 ARG H H 21 8.880 8.663 0.217 1
1 189 . 2 1 1 A 26 26 ARG HA H 21 4.490 4.502 -0.012 1
1 196 . 2 1 1 A 26 26 ARG CA C 21 55.570 54.384 1.186 1
1 197 . 2 1 1 A 26 26 ARG CB C 21 31.880 32.150 -0.270 1
1 200 . 2 1 1 A 26 26 ARG N N 21 124.980 123.115 1.865 1
1 201 . 2 1 1 A 27 27 VAL H H 22 8.860 7.972 0.888 1
1 202 . 2 1 1 A 27 27 VAL HA H 22 3.960 4.610 -0.650 1
1 210 . 2 1 1 A 27 27 VAL CA C 22 61.320 59.868 1.452 1
1 211 . 2 1 1 A 27 27 VAL CB C 22 33.470 33.822 -0.352 1
1 214 . 2 1 1 A 27 27 VAL N N 22 128.370 126.356 2.014 1
1 215 . 2 1 1 A 28 28 GLN H H 23 8.230 8.544 -0.314 1
1 216 . 2 1 1 A 28 28 GLN HA H 23 4.980 4.673 0.307 1
1 223 . 2 1 1 A 28 28 GLN CA C 23 54.520 54.222 0.298 1
1 224 . 2 1 1 A 28 28 GLN CB C 23 30.560 29.481 1.079 1
1 226 . 2 1 1 A 28 28 GLN N N 23 123.980 124.280 -0.300 1
1 228 . 2 1 1 A 29 29 ASP H H 24 8.710 8.877 -0.167 1
1 229 . 2 1 1 A 29 29 ASP HA H 24 4.900 4.816 0.084 1
1 232 . 2 1 1 A 29 29 ASP CA C 24 53.040 54.316 -1.276 1
1 233 . 2 1 1 A 29 29 ASP CB C 24 42.730 42.162 0.568 1
1 234 . 2 1 1 A 29 29 ASP N N 24 126.160 128.152 -1.992 1
1 235 . 2 1 1 A 30 30 THR H H 25 8.250 8.709 -0.459 1
1 236 . 2 1 1 A 30 30 THR HA H 25 4.120 4.153 -0.033 1
1 241 . 2 1 1 A 30 30 THR CA C 25 65.160 64.328 0.832 1
1 242 . 2 1 1 A 30 30 THR CB C 25 68.870 68.940 -0.070 1
1 244 . 2 1 1 A 30 30 THR N N 25 112.460 116.228 -3.768 1
1 245 . 2 1 1 A 31 31 SER H H 26 8.940 8.175 0.765 1
1 246 . 2 1 1 A 31 31 SER HA H 26 4.560 4.592 -0.032 1
1 249 . 2 1 1 A 31 31 SER CA C 26 59.690 59.162 0.528 1
1 250 . 2 1 1 A 31 31 SER CB C 26 64.170 64.948 -0.778 1
1 251 . 2 1 1 A 31 31 SER N N 26 117.280 116.285 0.995 1
1 252 . 2 1 1 A 32 32 GLY H H 27 7.890 7.492 0.398 1
1 253 . 2 1 1 A 32 32 GLY HA2 H 27 3.950 4.164 -0.214 1
1 254 . 2 1 1 A 32 32 GLY HA3 H 27 4.760 4.346 0.414 1
1 255 . 2 1 1 A 32 32 GLY CA C 27 44.820 45.792 -0.972 1
1 256 . 2 1 1 A 32 32 GLY N N 27 110.950 106.385 4.565 1
1 257 . 2 1 1 A 33 33 THR H H 28 8.460 8.347 0.113 1
1 258 . 2 1 1 A 33 33 THR HA H 28 5.230 5.117 0.113 1
1 263 . 2 1 1 A 33 33 THR CA C 28 61.750 62.675 -0.925 1
1 264 . 2 1 1 A 33 33 THR CB C 28 70.530 69.180 1.350 1
1 266 . 2 1 1 A 33 33 THR N N 28 117.690 116.248 1.442 1
1 267 . 2 1 1 A 34 34 TYR H H 29 8.700 8.542 0.158 1
1 268 . 2 1 1 A 34 34 TYR HA H 29 4.670 5.150 -0.480 1
1 275 . 2 1 1 A 34 34 TYR CA C 29 55.500 55.466 0.034 1
1 276 . 2 1 1 A 34 34 TYR CB C 29 38.140 41.414 -3.274 1
1 277 . 2 1 1 A 34 34 TYR N N 29 123.420 124.803 -1.383 1
1 278 . 2 1 1 A 35 35 TYR H H 30 8.920 9.142 -0.222 1
1 279 . 2 1 1 A 35 35 TYR HA H 30 5.330 5.542 -0.212 1
1 286 . 2 1 1 A 35 35 TYR CA C 30 57.550 56.636 0.914 1
1 287 . 2 1 1 A 35 35 TYR CB C 30 41.270 42.383 -1.113 1
1 288 . 2 1 1 A 35 35 TYR N N 30 116.920 116.376 0.544 1
1 289 . 2 1 1 A 36 36 TRP H H 31 9.580 8.866 0.714 1
1 290 . 2 1 1 A 36 36 TRP HA H 31 5.740 5.613 0.127 1
1 299 . 2 1 1 A 36 36 TRP CA C 31 54.290 55.847 -1.557 1
1 300 . 2 1 1 A 36 36 TRP CB C 31 33.420 32.720 0.700 1
1 301 . 2 1 1 A 36 36 TRP N N 31 126.100 125.381 0.719 1
1 303 . 2 1 1 A 37 37 HIS H H 32 8.950 9.077 -0.127 1
1 304 . 2 1 1 A 37 37 HIS HA H 32 3.940 3.956 -0.016 1
1 309 . 2 1 1 A 37 37 HIS CA C 32 55.050 54.358 0.692 1
1 310 . 2 1 1 A 37 37 HIS CB C 32 29.110 29.581 -0.471 1
1 311 . 2 1 1 A 37 37 HIS N N 32 130.940 127.528 3.412 1
1 312 . 2 1 1 A 38 38 ILE H H 33 8.130 7.787 0.343 1
1 313 . 2 1 1 A 38 38 ILE HA H 33 2.920 3.047 -0.127 1
1 323 . 2 1 1 A 38 38 ILE CA C 33 65.700 65.775 -0.075 1
1 324 . 2 1 1 A 38 38 ILE CB C 33 35.350 34.709 0.641 1
1 328 . 2 1 1 A 38 38 ILE N N 33 127.650 126.438 1.212 1
1 329 . 2 1 1 A 39 39 PRO HA H 34 4.120 4.031 0.089 1
1 336 . 2 1 1 A 39 39 PRO CA C 34 65.700 66.125 -0.425 1
1 337 . 2 1 1 A 39 39 PRO CB C 34 32.150 30.511 1.639 1
1 340 . 2 1 1 A 40 40 THR H H 35 6.470 7.040 -0.570 1
1 341 . 2 1 1 A 40 40 THR HA H 35 4.510 4.241 0.269 1
1 346 . 2 1 1 A 40 40 THR CA C 35 61.240 63.562 -2.322 1
1 347 . 2 1 1 A 40 40 THR CB C 35 72.280 69.266 3.014 1
1 349 . 2 1 1 A 40 40 THR N N 35 100.770 110.720 -9.950 1
1 350 . 2 1 1 A 41 41 GLY H H 36 8.530 7.932 0.598 1
1 351 . 2 1 1 A 41 41 GLY HA2 H 36 3.660 4.021 -0.361 1
1 352 . 2 1 1 A 41 41 GLY HA3 H 36 4.210 4.147 0.063 1
1 353 . 2 1 1 A 41 41 GLY CA C 36 46.220 45.455 0.765 1
1 354 . 2 1 1 A 41 41 GLY N N 36 113.280 109.194 4.086 1
1 355 . 2 1 1 A 42 42 THR H H 37 7.460 7.995 -0.535 1
1 356 . 2 1 1 A 42 42 THR HA H 37 4.260 4.514 -0.254 1
1 361 . 2 1 1 A 42 42 THR CA C 37 63.660 62.939 0.721 1
1 362 . 2 1 1 A 42 42 THR CB C 37 69.960 69.828 0.132 1
1 364 . 2 1 1 A 42 42 THR N N 37 115.720 117.881 -2.161 1
1 365 . 2 1 1 A 43 43 THR H H 38 8.420 9.095 -0.675 1
1 366 . 2 1 1 A 43 43 THR HA H 38 5.920 5.862 0.058 1
1 371 . 2 1 1 A 43 43 THR CA C 38 59.560 59.415 0.145 1
1 372 . 2 1 1 A 43 43 THR CB C 38 72.140 72.099 0.041 1
1 374 . 2 1 1 A 43 43 THR N N 38 116.010 114.364 1.646 1
1 375 . 2 1 1 A 44 44 GLN H H 39 9.180 8.628 0.552 1
1 376 . 2 1 1 A 44 44 GLN HA H 39 4.930 4.990 -0.060 1
1 383 . 2 1 1 A 44 44 GLN CA C 39 54.890 54.346 0.544 1
1 384 . 2 1 1 A 44 44 GLN CB C 39 32.550 31.193 1.357 1
1 386 . 2 1 1 A 44 44 GLN N N 39 116.860 118.655 -1.795 1
1 388 . 2 1 1 A 45 45 TRP H H 40 8.890 8.690 0.200 1
1 389 . 2 1 1 A 45 45 TRP HA H 40 4.820 5.108 -0.288 1
1 397 . 2 1 1 A 45 45 TRP CA C 40 59.410 58.919 0.491 1
1 398 . 2 1 1 A 45 45 TRP CB C 40 30.270 31.906 -1.636 1
1 399 . 2 1 1 A 45 45 TRP N N 40 121.200 124.013 -2.813 1
1 400 . 2 1 1 A 46 46 GLU H H 41 7.970 8.011 -0.041 1
1 401 . 2 1 1 A 46 46 GLU HA H 41 4.720 4.518 0.202 1
1 406 . 2 1 1 A 46 46 GLU CA C 41 54.070 54.453 -0.383 1
1 407 . 2 1 1 A 46 46 GLU CB C 41 29.640 28.788 0.852 1
1 409 . 2 1 1 A 46 46 GLU N N 41 119.500 118.429 1.071 1
1 410 . 2 1 1 A 47 47 PRO HA H 42 2.900 3.125 -0.225 1
1 417 . 2 1 1 A 47 47 PRO CA C 42 60.700 61.233 -0.533 1
1 418 . 2 1 1 A 47 47 PRO CB C 42 29.760 32.111 -2.351 1
1 421 . 2 1 1 A 48 48 PRO HA H 43 3.770 4.409 -0.639 1
1 428 . 2 1 1 A 48 48 PRO CA C 43 61.890 62.077 -0.187 1
1 429 . 2 1 1 A 48 48 PRO CB C 43 30.880 30.912 -0.032 1
1 432 . 2 1 1 A 49 49 GLY H H 44 8.020 8.306 -0.286 1
1 433 . 2 1 1 A 49 49 GLY HA2 H 44 3.770 4.188 -0.418 1
1 434 . 2 1 1 A 49 49 GLY HA3 H 44 3.770 4.196 -0.426 1
1 435 . 2 1 1 A 49 49 GLY CA C 44 44.770 44.526 0.244 1
1 436 . 2 1 1 A 49 49 GLY N N 44 107.850 108.282 -0.432 1
1 437 . 2 1 1 A 50 50 ARG H H 45 7.980 8.746 -0.766 1
1 438 . 2 1 1 A 50 50 ARG HA H 45 4.280 4.392 -0.112 1
1 445 . 2 1 1 A 50 50 ARG CA C 45 55.730 56.827 -1.097 1
1 446 . 2 1 1 A 50 50 ARG CB C 45 31.150 31.782 -0.632 1
1 449 . 2 1 1 A 50 50 ARG N N 45 119.870 125.475 -5.605 1
1 450 . 2 1 1 A 51 51 ALA H H 46 8.340 7.498 0.842 1
1 451 . 2 1 1 A 51 51 ALA HA H 46 4.330 4.713 -0.383 1
1 455 . 2 1 1 A 51 51 ALA CA C 46 52.290 50.939 1.351 1
1 456 . 2 1 1 A 51 51 ALA CB C 46 19.450 21.544 -2.094 1
1 457 . 2 1 1 A 51 51 ALA N N 46 125.360 121.869 3.491 1
1 458 . 2 1 1 A 52 52 SER H H 47 8.360 8.427 -0.067 1
1 459 . 2 1 1 A 52 52 SER HA H 47 4.730 4.927 -0.197 1
1 462 . 2 1 1 A 52 52 SER CA C 47 56.520 56.124 0.396 1
1 463 . 2 1 1 A 52 52 SER CB C 47 63.460 65.606 -2.146 1
1 464 . 2 1 1 A 52 52 SER N N 47 117.200 116.594 0.606 1
1 465 . 2 1 1 A 53 53 PRO HA H 48 4.490 4.386 0.104 1
1 472 . 2 1 1 A 53 53 PRO CA C 48 63.450 65.892 -2.442 1
1 473 . 2 1 1 A 53 53 PRO CB C 48 32.280 31.456 0.824 1
1 476 . 2 1 1 A 54 54 SER H H 49 8.420 7.951 0.469 1
1 477 . 2 1 1 A 54 54 SER HA H 49 4.440 4.830 -0.390 1
1 480 . 2 1 1 A 54 54 SER CA C 49 58.490 58.809 -0.319 1
1 481 . 2 1 1 A 54 54 SER CB C 49 63.990 64.991 -1.001 1
1 482 . 2 1 1 A 54 54 SER N N 49 116.680 113.106 3.574 1
1 8 . 3 1 1 A 7 7 SER H H 2 8.110 8.972 -0.862 1
1 9 . 3 1 1 A 7 7 SER HA H 2 4.360 4.233 0.127 1
1 12 . 3 1 1 A 7 7 SER CA C 2 58.690 59.019 -0.329 1
1 13 . 3 1 1 A 7 7 SER CB C 2 63.740 61.797 1.943 1
1 14 . 3 1 1 A 7 7 SER N N 2 115.530 116.106 -0.576 1
1 15 . 3 1 1 A 8 8 PHE H H 3 8.100 8.248 -0.148 1
1 16 . 3 1 1 A 8 8 PHE HA H 3 4.580 4.430 0.150 1
1 21 . 3 1 1 A 8 8 PHE CA C 3 57.940 60.758 -2.818 1
1 22 . 3 1 1 A 8 8 PHE CB C 3 39.440 39.990 -0.550 1
1 23 . 3 1 1 A 8 8 PHE N N 3 121.690 123.657 -1.967 1
1 24 . 3 1 1 A 9 9 TRP H H 4 7.960 7.839 0.121 1
1 25 . 3 1 1 A 9 9 TRP HA H 4 4.580 4.568 0.012 1
1 33 . 3 1 1 A 9 9 TRP CA C 4 57.320 59.142 -1.822 1
1 34 . 3 1 1 A 9 9 TRP CB C 4 29.740 29.900 -0.160 1
1 35 . 3 1 1 A 9 9 TRP N N 4 122.750 120.814 1.936 1
1 36 . 3 1 1 A 10 10 ASN H H 5 7.960 8.111 -0.151 1
1 37 . 3 1 1 A 10 10 ASN HA H 5 4.770 5.165 -0.395 1
1 42 . 3 1 1 A 10 10 ASN CA C 5 50.520 49.158 1.362 1
1 43 . 3 1 1 A 10 10 ASN CB C 5 39.570 40.623 -1.053 1
1 44 . 3 1 1 A 10 10 ASN N N 5 122.600 126.116 -3.516 1
1 46 . 3 1 1 A 11 11 PRO HA H 6 4.090 4.229 -0.139 1
1 53 . 3 1 1 A 11 11 PRO CA C 6 63.660 64.320 -0.660 1
1 54 . 3 1 1 A 11 11 PRO CB C 6 32.160 31.894 0.266 1
1 57 . 3 1 1 A 12 12 ASN H H 7 8.100 8.412 -0.312 1
1 58 . 3 1 1 A 12 12 ASN HA H 7 4.640 4.921 -0.281 1
1 63 . 3 1 1 A 12 12 ASN CA C 7 53.330 52.888 0.442 1
1 64 . 3 1 1 A 12 12 ASN CB C 7 38.910 39.145 -0.235 1
1 65 . 3 1 1 A 12 12 ASN N N 7 116.820 115.740 1.080 1
1 67 . 3 1 1 A 13 13 ALA H H 8 7.760 8.192 -0.432 1
1 68 . 3 1 1 A 13 13 ALA HA H 8 4.190 4.637 -0.447 1
1 72 . 3 1 1 A 13 13 ALA CA C 8 52.840 51.264 1.576 1
1 73 . 3 1 1 A 13 13 ALA CB C 8 19.240 19.891 -0.651 1
1 74 . 3 1 1 A 13 13 ALA N N 8 123.280 122.445 0.835 1
1 75 . 3 1 1 A 14 14 PHE H H 9 7.980 8.041 -0.061 1
1 76 . 3 1 1 A 14 14 PHE HA H 9 4.680 4.639 0.041 1
1 81 . 3 1 1 A 14 14 PHE CA C 9 57.310 56.457 0.853 1
1 82 . 3 1 1 A 14 14 PHE CB C 9 39.790 37.266 2.524 1
1 83 . 3 1 1 A 14 14 PHE N N 9 118.120 119.511 -1.391 1
1 84 . 3 1 1 A 15 15 GLU H H 10 8.340 8.108 0.232 1
1 85 . 3 1 1 A 15 15 GLU HA H 10 4.410 4.530 -0.120 1
1 90 . 3 1 1 A 15 15 GLU CA C 10 56.550 56.296 0.254 1
1 91 . 3 1 1 A 15 15 GLU CB C 10 30.750 31.203 -0.453 1
1 93 . 3 1 1 A 15 15 GLU N N 10 122.120 123.813 -1.693 1
1 94 . 3 1 1 A 16 16 THR H H 11 8.230 8.487 -0.257 1
1 95 . 3 1 1 A 16 16 THR HA H 11 4.380 4.717 -0.337 1
1 100 . 3 1 1 A 16 16 THR CA C 11 61.900 61.316 0.584 1
1 101 . 3 1 1 A 16 16 THR CB C 11 69.890 69.650 0.240 1
1 103 . 3 1 1 A 16 16 THR N N 11 114.830 115.076 -0.246 1
1 104 . 3 1 1 A 17 17 ASP H H 12 8.480 8.695 -0.215 1
1 105 . 3 1 1 A 17 17 ASP HA H 12 4.710 4.972 -0.262 1
1 108 . 3 1 1 A 17 17 ASP CA C 12 54.650 53.297 1.353 1
1 109 . 3 1 1 A 17 17 ASP CB C 12 41.480 42.154 -0.674 1
1 110 . 3 1 1 A 17 17 ASP N N 12 122.650 122.049 0.601 1
1 111 . 3 1 1 A 18 18 SER H H 13 8.330 8.391 -0.061 1
1 112 . 3 1 1 A 18 18 SER HA H 13 4.430 4.704 -0.274 1
1 115 . 3 1 1 A 18 18 SER CA C 13 59.130 56.729 2.401 1
1 116 . 3 1 1 A 18 18 SER CB C 13 63.900 62.897 1.003 1
1 117 . 3 1 1 A 18 18 SER N N 13 116.280 112.394 3.886 1
1 118 . 3 1 1 A 19 19 ASP H H 14 8.560 8.105 0.455 1
1 119 . 3 1 1 A 19 19 ASP HA H 14 4.630 4.150 0.480 1
1 122 . 3 1 1 A 19 19 ASP CA C 14 54.300 55.181 -0.881 1
1 123 . 3 1 1 A 19 19 ASP CB C 14 40.820 39.177 1.643 1
1 124 . 3 1 1 A 19 19 ASP N N 14 121.330 115.337 5.993 1
1 125 . 3 1 1 A 20 20 LEU H H 15 7.990 7.853 0.137 1
1 126 . 3 1 1 A 20 20 LEU HA H 15 4.630 4.399 0.231 1
1 136 . 3 1 1 A 20 20 LEU CA C 15 52.640 52.914 -0.274 1
1 137 . 3 1 1 A 20 20 LEU CB C 15 42.530 40.743 1.787 1
1 141 . 3 1 1 A 20 20 LEU N N 15 121.650 119.831 1.819 1
1 142 . 3 1 1 A 21 21 PRO HA H 16 4.570 4.618 -0.048 1
1 149 . 3 1 1 A 21 21 PRO CA C 16 62.080 62.275 -0.195 1
1 150 . 3 1 1 A 21 21 PRO CB C 16 31.760 33.289 -1.529 1
1 153 . 3 1 1 A 22 22 ALA H H 17 8.410 8.345 0.065 1
1 154 . 3 1 1 A 22 22 ALA HA H 17 4.210 4.564 -0.354 1
1 158 . 3 1 1 A 22 22 ALA CA C 17 53.950 52.616 1.334 1
1 159 . 3 1 1 A 22 22 ALA CB C 17 18.650 19.802 -1.152 1
1 160 . 3 1 1 A 22 22 ALA N N 17 122.940 122.625 0.315 1
1 161 . 3 1 1 A 23 23 GLY H H 18 8.710 8.724 -0.014 1
1 162 . 3 1 1 A 23 23 GLY HA2 H 18 3.460 3.765 -0.305 1
1 163 . 3 1 1 A 23 23 GLY HA3 H 18 3.890 3.784 0.106 1
1 164 . 3 1 1 A 23 23 GLY CA C 18 45.110 45.278 -0.168 1
1 165 . 3 1 1 A 23 23 GLY N N 18 110.320 110.483 -0.163 1
1 166 . 3 1 1 A 24 24 TRP H H 19 7.810 7.953 -0.143 1
1 167 . 3 1 1 A 24 24 TRP HA H 19 5.520 5.139 0.381 1
1 175 . 3 1 1 A 24 24 TRP CA C 19 57.020 55.927 1.093 1
1 176 . 3 1 1 A 24 24 TRP CB C 19 32.270 33.092 -0.822 1
1 177 . 3 1 1 A 24 24 TRP N N 19 118.390 120.402 -2.012 1
1 178 . 3 1 1 A 25 25 MET H H 20 9.570 9.081 0.489 1
1 179 . 3 1 1 A 25 25 MET HA H 20 4.940 5.535 -0.595 1
1 184 . 3 1 1 A 25 25 MET CA C 20 54.390 54.020 0.370 1
1 185 . 3 1 1 A 25 25 MET CB C 20 37.220 36.910 0.310 1
1 187 . 3 1 1 A 25 25 MET N N 20 119.380 120.996 -1.616 1
1 188 . 3 1 1 A 26 26 ARG H H 21 8.880 8.834 0.046 1
1 189 . 3 1 1 A 26 26 ARG HA H 21 4.490 5.184 -0.694 1
1 196 . 3 1 1 A 26 26 ARG CA C 21 55.570 54.784 0.786 1
1 197 . 3 1 1 A 26 26 ARG CB C 21 31.880 32.612 -0.732 1
1 200 . 3 1 1 A 26 26 ARG N N 21 124.980 123.317 1.663 1
1 201 . 3 1 1 A 27 27 VAL H H 22 8.860 8.319 0.541 1
1 202 . 3 1 1 A 27 27 VAL HA H 22 3.960 4.767 -0.807 1
1 210 . 3 1 1 A 27 27 VAL CA C 22 61.320 59.967 1.353 1
1 211 . 3 1 1 A 27 27 VAL CB C 22 33.470 34.071 -0.601 1
1 214 . 3 1 1 A 27 27 VAL N N 22 128.370 126.352 2.018 1
1 215 . 3 1 1 A 28 28 GLN H H 23 8.230 8.585 -0.355 1
1 216 . 3 1 1 A 28 28 GLN HA H 23 4.980 4.838 0.142 1
1 223 . 3 1 1 A 28 28 GLN CA C 23 54.520 54.446 0.074 1
1 224 . 3 1 1 A 28 28 GLN CB C 23 30.560 29.984 0.576 1
1 226 . 3 1 1 A 28 28 GLN N N 23 123.980 124.380 -0.400 1
1 228 . 3 1 1 A 29 29 ASP H H 24 8.710 8.729 -0.019 1
1 229 . 3 1 1 A 29 29 ASP HA H 24 4.900 4.967 -0.067 1
1 232 . 3 1 1 A 29 29 ASP CA C 24 53.040 52.936 0.104 1
1 233 . 3 1 1 A 29 29 ASP CB C 24 42.730 43.090 -0.360 1
1 234 . 3 1 1 A 29 29 ASP N N 24 126.160 127.668 -1.508 1
1 235 . 3 1 1 A 30 30 THR H H 25 8.250 8.773 -0.523 1
1 236 . 3 1 1 A 30 30 THR HA H 25 4.120 4.011 0.109 1
1 241 . 3 1 1 A 30 30 THR CA C 25 65.160 65.858 -0.698 1
1 242 . 3 1 1 A 30 30 THR CB C 25 68.870 68.337 0.533 1
1 244 . 3 1 1 A 30 30 THR N N 25 112.460 116.318 -3.858 1
1 245 . 3 1 1 A 31 31 SER H H 26 8.940 8.185 0.755 1
1 246 . 3 1 1 A 31 31 SER HA H 26 4.560 4.358 0.202 1
1 249 . 3 1 1 A 31 31 SER CA C 26 59.690 59.787 -0.097 1
1 250 . 3 1 1 A 31 31 SER CB C 26 64.170 63.598 0.572 1
1 251 . 3 1 1 A 31 31 SER N N 26 117.280 115.833 1.447 1
1 252 . 3 1 1 A 32 32 GLY H H 27 7.890 7.436 0.454 1
1 253 . 3 1 1 A 32 32 GLY HA2 H 27 3.950 4.191 -0.241 1
1 254 . 3 1 1 A 32 32 GLY HA3 H 27 4.760 4.254 0.506 1
1 255 . 3 1 1 A 32 32 GLY CA C 27 44.820 44.478 0.342 1
1 256 . 3 1 1 A 32 32 GLY N N 27 110.950 107.365 3.585 1
1 257 . 3 1 1 A 33 33 THR H H 28 8.460 8.597 -0.137 1
1 258 . 3 1 1 A 33 33 THR HA H 28 5.230 5.091 0.139 1
1 263 . 3 1 1 A 33 33 THR CA C 28 61.750 63.128 -1.378 1
1 264 . 3 1 1 A 33 33 THR CB C 28 70.530 68.993 1.537 1
1 266 . 3 1 1 A 33 33 THR N N 28 117.690 116.493 1.197 1
1 267 . 3 1 1 A 34 34 TYR H H 29 8.700 8.537 0.163 1
1 268 . 3 1 1 A 34 34 TYR HA H 29 4.670 4.873 -0.203 1
1 275 . 3 1 1 A 34 34 TYR CA C 29 55.500 55.032 0.468 1
1 276 . 3 1 1 A 34 34 TYR CB C 29 38.140 40.624 -2.484 1
1 277 . 3 1 1 A 34 34 TYR N N 29 123.420 125.003 -1.583 1
1 278 . 3 1 1 A 35 35 TYR H H 30 8.920 8.157 0.763 1
1 279 . 3 1 1 A 35 35 TYR HA H 30 5.330 5.762 -0.432 1
1 286 . 3 1 1 A 35 35 TYR CA C 30 57.550 56.710 0.840 1
1 287 . 3 1 1 A 35 35 TYR CB C 30 41.270 42.419 -1.149 1
1 288 . 3 1 1 A 35 35 TYR N N 30 116.920 116.353 0.567 1
1 289 . 3 1 1 A 36 36 TRP H H 31 9.580 8.980 0.600 1
1 290 . 3 1 1 A 36 36 TRP HA H 31 5.740 5.634 0.106 1
1 299 . 3 1 1 A 36 36 TRP CA C 31 54.290 55.628 -1.338 1
1 300 . 3 1 1 A 36 36 TRP CB C 31 33.420 32.498 0.922 1
1 301 . 3 1 1 A 36 36 TRP N N 31 126.100 124.864 1.236 1
1 303 . 3 1 1 A 37 37 HIS H H 32 8.950 9.172 -0.222 1
1 304 . 3 1 1 A 37 37 HIS HA H 32 3.940 4.065 -0.125 1
1 309 . 3 1 1 A 37 37 HIS CA C 32 55.050 54.602 0.448 1
1 310 . 3 1 1 A 37 37 HIS CB C 32 29.110 29.594 -0.484 1
1 311 . 3 1 1 A 37 37 HIS N N 32 130.940 127.399 3.541 1
1 312 . 3 1 1 A 38 38 ILE H H 33 8.130 7.825 0.305 1
1 313 . 3 1 1 A 38 38 ILE HA H 33 2.920 3.164 -0.244 1
1 323 . 3 1 1 A 38 38 ILE CA C 33 65.700 65.858 -0.158 1
1 324 . 3 1 1 A 38 38 ILE CB C 33 35.350 34.812 0.538 1
1 328 . 3 1 1 A 38 38 ILE N N 33 127.650 126.574 1.076 1
1 329 . 3 1 1 A 39 39 PRO HA H 34 4.120 4.054 0.066 1
1 336 . 3 1 1 A 39 39 PRO CA C 34 65.700 66.152 -0.452 1
1 337 . 3 1 1 A 39 39 PRO CB C 34 32.150 30.534 1.616 1
1 340 . 3 1 1 A 40 40 THR H H 35 6.470 7.084 -0.614 1
1 341 . 3 1 1 A 40 40 THR HA H 35 4.510 4.286 0.224 1
1 346 . 3 1 1 A 40 40 THR CA C 35 61.240 63.354 -2.114 1
1 347 . 3 1 1 A 40 40 THR CB C 35 72.280 69.359 2.921 1
1 349 . 3 1 1 A 40 40 THR N N 35 100.770 111.043 -10.273 1
1 350 . 3 1 1 A 41 41 GLY H H 36 8.530 7.982 0.548 1
1 351 . 3 1 1 A 41 41 GLY HA2 H 36 3.660 4.032 -0.372 1
1 352 . 3 1 1 A 41 41 GLY HA3 H 36 4.210 4.194 0.016 1
1 353 . 3 1 1 A 41 41 GLY CA C 36 46.220 45.477 0.743 1
1 354 . 3 1 1 A 41 41 GLY N N 36 113.280 109.523 3.757 1
1 355 . 3 1 1 A 42 42 THR H H 37 7.460 7.874 -0.414 1
1 356 . 3 1 1 A 42 42 THR HA H 37 4.260 4.454 -0.194 1
1 361 . 3 1 1 A 42 42 THR CA C 37 63.660 62.841 0.819 1
1 362 . 3 1 1 A 42 42 THR CB C 37 69.960 69.704 0.256 1
1 364 . 3 1 1 A 42 42 THR N N 37 115.720 117.733 -2.013 1
1 365 . 3 1 1 A 43 43 THR H H 38 8.420 8.910 -0.490 1
1 366 . 3 1 1 A 43 43 THR HA H 38 5.920 5.565 0.355 1
1 371 . 3 1 1 A 43 43 THR CA C 38 59.560 59.318 0.242 1
1 372 . 3 1 1 A 43 43 THR CB C 38 72.140 71.969 0.171 1
1 374 . 3 1 1 A 43 43 THR N N 38 116.010 114.407 1.603 1
1 375 . 3 1 1 A 44 44 GLN H H 39 9.180 8.296 0.884 1
1 376 . 3 1 1 A 44 44 GLN HA H 39 4.930 4.897 0.033 1
1 383 . 3 1 1 A 44 44 GLN CA C 39 54.890 53.805 1.085 1
1 384 . 3 1 1 A 44 44 GLN CB C 39 32.550 32.817 -0.267 1
1 386 . 3 1 1 A 44 44 GLN N N 39 116.860 118.623 -1.763 1
1 388 . 3 1 1 A 45 45 TRP H H 40 8.890 8.738 0.152 1
1 389 . 3 1 1 A 45 45 TRP HA H 40 4.820 5.106 -0.286 1
1 397 . 3 1 1 A 45 45 TRP CA C 40 59.410 57.239 2.171 1
1 398 . 3 1 1 A 45 45 TRP CB C 40 30.270 31.261 -0.991 1
1 399 . 3 1 1 A 45 45 TRP N N 40 121.200 119.555 1.645 1
1 400 . 3 1 1 A 46 46 GLU H H 41 7.970 8.134 -0.164 1
1 401 . 3 1 1 A 46 46 GLU HA H 41 4.720 4.892 -0.172 1
1 406 . 3 1 1 A 46 46 GLU CA C 41 54.070 53.538 0.532 1
1 407 . 3 1 1 A 46 46 GLU CB C 41 29.640 31.228 -1.588 1
1 409 . 3 1 1 A 46 46 GLU N N 41 119.500 119.539 -0.039 1
1 410 . 3 1 1 A 47 47 PRO HA H 42 2.900 4.365 -1.465 1
1 417 . 3 1 1 A 47 47 PRO CA C 42 60.700 61.955 -1.255 1
1 418 . 3 1 1 A 47 47 PRO CB C 42 29.760 31.596 -1.836 1
1 421 . 3 1 1 A 48 48 PRO HA H 43 3.770 4.464 -0.694 1
1 428 . 3 1 1 A 48 48 PRO CA C 43 61.890 62.314 -0.424 1
1 429 . 3 1 1 A 48 48 PRO CB C 43 30.880 30.423 0.457 1
1 432 . 3 1 1 A 49 49 GLY H H 44 8.020 8.827 -0.807 1
1 433 . 3 1 1 A 49 49 GLY HA2 H 44 3.770 3.992 -0.222 1
1 434 . 3 1 1 A 49 49 GLY HA3 H 44 3.770 4.017 -0.247 1
1 435 . 3 1 1 A 49 49 GLY CA C 44 44.770 44.980 -0.210 1
1 436 . 3 1 1 A 49 49 GLY N N 44 107.850 110.972 -3.122 1
1 437 . 3 1 1 A 50 50 ARG H H 45 7.980 8.950 -0.970 1
1 438 . 3 1 1 A 50 50 ARG HA H 45 4.280 4.969 -0.689 1
1 445 . 3 1 1 A 50 50 ARG CA C 45 55.730 54.691 1.039 1
1 446 . 3 1 1 A 50 50 ARG CB C 45 31.150 32.979 -1.829 1
1 449 . 3 1 1 A 50 50 ARG N N 45 119.870 126.713 -6.843 1
1 450 . 3 1 1 A 51 51 ALA H H 46 8.340 8.658 -0.318 1
1 451 . 3 1 1 A 51 51 ALA HA H 46 4.330 4.547 -0.217 1
1 455 . 3 1 1 A 51 51 ALA CA C 46 52.290 53.207 -0.917 1
1 456 . 3 1 1 A 51 51 ALA CB C 46 19.450 21.588 -2.138 1
1 457 . 3 1 1 A 51 51 ALA N N 46 125.360 125.519 -0.159 1
1 458 . 3 1 1 A 52 52 SER H H 47 8.360 8.476 -0.116 1
1 459 . 3 1 1 A 52 52 SER HA H 47 4.730 4.247 0.483 1
1 462 . 3 1 1 A 52 52 SER CA C 47 56.520 62.766 -6.246 1
1 463 . 3 1 1 A 52 52 SER CB C 47 63.460 62.740 0.720 1
1 464 . 3 1 1 A 52 52 SER N N 47 117.200 112.513 4.687 1
1 465 . 3 1 1 A 53 53 PRO HA H 48 4.490 4.447 0.043 1
1 472 . 3 1 1 A 53 53 PRO CA C 48 63.450 63.674 -0.224 1
1 473 . 3 1 1 A 53 53 PRO CB C 48 32.280 31.756 0.524 1
1 476 . 3 1 1 A 54 54 SER H H 49 8.420 8.656 -0.236 1
1 477 . 3 1 1 A 54 54 SER HA H 49 4.440 3.974 0.466 1
1 480 . 3 1 1 A 54 54 SER CA C 49 58.490 59.209 -0.719 1
1 481 . 3 1 1 A 54 54 SER CB C 49 63.990 61.766 2.224 1
1 482 . 3 1 1 A 54 54 SER N N 49 116.680 112.401 4.279 1
1 8 . 4 1 1 A 7 7 SER H H 2 8.110 8.044 0.066 1
1 9 . 4 1 1 A 7 7 SER HA H 2 4.360 4.673 -0.313 1
1 12 . 4 1 1 A 7 7 SER CA C 2 58.690 59.071 -0.381 1
1 13 . 4 1 1 A 7 7 SER CB C 2 63.740 65.156 -1.416 1
1 14 . 4 1 1 A 7 7 SER N N 2 115.530 113.764 1.766 1
1 15 . 4 1 1 A 8 8 PHE H H 3 8.100 8.103 -0.003 1
1 16 . 4 1 1 A 8 8 PHE HA H 3 4.580 4.818 -0.238 1
1 21 . 4 1 1 A 8 8 PHE CA C 3 57.940 56.703 1.237 1
1 22 . 4 1 1 A 8 8 PHE CB C 3 39.440 37.722 1.718 1
1 23 . 4 1 1 A 8 8 PHE N N 3 121.690 119.017 2.673 1
1 24 . 4 1 1 A 9 9 TRP H H 4 7.960 8.840 -0.880 1
1 25 . 4 1 1 A 9 9 TRP HA H 4 4.580 4.558 0.022 1
1 33 . 4 1 1 A 9 9 TRP CA C 4 57.320 59.134 -1.814 1
1 34 . 4 1 1 A 9 9 TRP CB C 4 29.740 30.301 -0.561 1
1 35 . 4 1 1 A 9 9 TRP N N 4 122.750 128.916 -6.166 1
1 36 . 4 1 1 A 10 10 ASN H H 5 7.960 8.018 -0.058 1
1 37 . 4 1 1 A 10 10 ASN HA H 5 4.770 4.593 0.177 1
1 42 . 4 1 1 A 10 10 ASN CA C 5 50.520 51.919 -1.399 1
1 43 . 4 1 1 A 10 10 ASN CB C 5 39.570 38.226 1.344 1
1 44 . 4 1 1 A 10 10 ASN N N 5 122.600 123.492 -0.892 1
1 46 . 4 1 1 A 11 11 PRO HA H 6 4.090 4.506 -0.416 1
1 53 . 4 1 1 A 11 11 PRO CA C 6 63.660 66.348 -2.688 1
1 54 . 4 1 1 A 11 11 PRO CB C 6 32.160 31.392 0.768 1
1 57 . 4 1 1 A 12 12 ASN H H 7 8.100 8.176 -0.076 1
1 58 . 4 1 1 A 12 12 ASN HA H 7 4.640 4.524 0.116 1
1 63 . 4 1 1 A 12 12 ASN CA C 7 53.330 56.315 -2.985 1
1 64 . 4 1 1 A 12 12 ASN CB C 7 38.910 38.678 0.232 1
1 65 . 4 1 1 A 12 12 ASN N N 7 116.820 114.976 1.844 1
1 67 . 4 1 1 A 13 13 ALA H H 8 7.760 7.694 0.066 1
1 68 . 4 1 1 A 13 13 ALA HA H 8 4.190 3.640 0.550 1
1 72 . 4 1 1 A 13 13 ALA CA C 8 52.840 54.036 -1.196 1
1 73 . 4 1 1 A 13 13 ALA CB C 8 19.240 17.687 1.553 1
1 74 . 4 1 1 A 13 13 ALA N N 8 123.280 120.847 2.433 1
1 75 . 4 1 1 A 14 14 PHE H H 9 7.980 8.259 -0.279 1
1 76 . 4 1 1 A 14 14 PHE HA H 9 4.680 4.640 0.040 1
1 81 . 4 1 1 A 14 14 PHE CA C 9 57.310 57.533 -0.223 1
1 82 . 4 1 1 A 14 14 PHE CB C 9 39.790 37.989 1.801 1
1 83 . 4 1 1 A 14 14 PHE N N 9 118.120 118.951 -0.831 1
1 84 . 4 1 1 A 15 15 GLU H H 10 8.340 8.579 -0.239 1
1 85 . 4 1 1 A 15 15 GLU HA H 10 4.410 4.425 -0.015 1
1 90 . 4 1 1 A 15 15 GLU CA C 10 56.550 56.582 -0.032 1
1 91 . 4 1 1 A 15 15 GLU CB C 10 30.750 30.918 -0.168 1
1 93 . 4 1 1 A 15 15 GLU N N 10 122.120 124.901 -2.781 1
1 94 . 4 1 1 A 16 16 THR H H 11 8.230 8.544 -0.314 1
1 95 . 4 1 1 A 16 16 THR HA H 11 4.380 4.640 -0.260 1
1 100 . 4 1 1 A 16 16 THR CA C 11 61.900 60.682 1.218 1
1 101 . 4 1 1 A 16 16 THR CB C 11 69.890 70.746 -0.856 1
1 103 . 4 1 1 A 16 16 THR N N 11 114.830 115.004 -0.174 1
1 104 . 4 1 1 A 17 17 ASP H H 12 8.480 8.440 0.040 1
1 105 . 4 1 1 A 17 17 ASP HA H 12 4.710 4.721 -0.011 1
1 108 . 4 1 1 A 17 17 ASP CA C 12 54.650 53.542 1.108 1
1 109 . 4 1 1 A 17 17 ASP CB C 12 41.480 42.462 -0.982 1
1 110 . 4 1 1 A 17 17 ASP N N 12 122.650 123.954 -1.304 1
1 111 . 4 1 1 A 18 18 SER H H 13 8.330 8.456 -0.126 1
1 112 . 4 1 1 A 18 18 SER HA H 13 4.430 4.265 0.165 1
1 115 . 4 1 1 A 18 18 SER CA C 13 59.130 60.489 -1.359 1
1 116 . 4 1 1 A 18 18 SER CB C 13 63.900 63.426 0.474 1
1 117 . 4 1 1 A 18 18 SER N N 13 116.280 115.927 0.353 1
1 118 . 4 1 1 A 19 19 ASP H H 14 8.560 7.792 0.768 1
1 119 . 4 1 1 A 19 19 ASP HA H 14 4.630 4.946 -0.316 1
1 122 . 4 1 1 A 19 19 ASP CA C 14 54.300 53.590 0.710 1
1 123 . 4 1 1 A 19 19 ASP CB C 14 40.820 41.493 -0.673 1
1 124 . 4 1 1 A 19 19 ASP N N 14 121.330 118.345 2.985 1
1 125 . 4 1 1 A 20 20 LEU H H 15 7.990 8.643 -0.653 1
1 126 . 4 1 1 A 20 20 LEU HA H 15 4.630 4.529 0.101 1
1 136 . 4 1 1 A 20 20 LEU CA C 15 52.640 53.468 -0.828 1
1 137 . 4 1 1 A 20 20 LEU CB C 15 42.530 41.020 1.510 1
1 141 . 4 1 1 A 20 20 LEU N N 15 121.650 125.216 -3.566 1
1 142 . 4 1 1 A 21 21 PRO HA H 16 4.570 4.637 -0.067 1
1 149 . 4 1 1 A 21 21 PRO CA C 16 62.080 62.383 -0.303 1
1 150 . 4 1 1 A 21 21 PRO CB C 16 31.760 32.821 -1.061 1
1 153 . 4 1 1 A 22 22 ALA H H 17 8.410 8.304 0.106 1
1 154 . 4 1 1 A 22 22 ALA HA H 17 4.210 4.115 0.095 1
1 158 . 4 1 1 A 22 22 ALA CA C 17 53.950 53.689 0.261 1
1 159 . 4 1 1 A 22 22 ALA CB C 17 18.650 18.617 0.033 1
1 160 . 4 1 1 A 22 22 ALA N N 17 122.940 123.814 -0.874 1
1 161 . 4 1 1 A 23 23 GLY H H 18 8.710 8.833 -0.123 1
1 162 . 4 1 1 A 23 23 GLY HA2 H 18 3.460 3.871 -0.411 1
1 163 . 4 1 1 A 23 23 GLY HA3 H 18 3.890 3.932 -0.042 1
1 164 . 4 1 1 A 23 23 GLY CA C 18 45.110 45.099 0.011 1
1 165 . 4 1 1 A 23 23 GLY N N 18 110.320 110.246 0.074 1
1 166 . 4 1 1 A 24 24 TRP H H 19 7.810 8.015 -0.205 1
1 167 . 4 1 1 A 24 24 TRP HA H 19 5.520 5.135 0.385 1
1 175 . 4 1 1 A 24 24 TRP CA C 19 57.020 56.133 0.887 1
1 176 . 4 1 1 A 24 24 TRP CB C 19 32.270 32.806 -0.536 1
1 177 . 4 1 1 A 24 24 TRP N N 19 118.390 120.486 -2.096 1
1 178 . 4 1 1 A 25 25 MET H H 20 9.570 9.044 0.526 1
1 179 . 4 1 1 A 25 25 MET HA H 20 4.940 5.345 -0.405 1
1 184 . 4 1 1 A 25 25 MET CA C 20 54.390 54.153 0.237 1
1 185 . 4 1 1 A 25 25 MET CB C 20 37.220 36.902 0.318 1
1 187 . 4 1 1 A 25 25 MET N N 20 119.380 121.100 -1.720 1
1 188 . 4 1 1 A 26 26 ARG H H 21 8.880 8.698 0.182 1
1 189 . 4 1 1 A 26 26 ARG HA H 21 4.490 4.657 -0.167 1
1 196 . 4 1 1 A 26 26 ARG CA C 21 55.570 54.416 1.154 1
1 197 . 4 1 1 A 26 26 ARG CB C 21 31.880 32.537 -0.657 1
1 200 . 4 1 1 A 26 26 ARG N N 21 124.980 123.098 1.882 1
1 201 . 4 1 1 A 27 27 VAL H H 22 8.860 8.178 0.682 1
1 202 . 4 1 1 A 27 27 VAL HA H 22 3.960 4.749 -0.789 1
1 210 . 4 1 1 A 27 27 VAL CA C 22 61.320 59.865 1.455 1
1 211 . 4 1 1 A 27 27 VAL CB C 22 33.470 34.394 -0.924 1
1 214 . 4 1 1 A 27 27 VAL N N 22 128.370 125.886 2.484 1
1 215 . 4 1 1 A 28 28 GLN H H 23 8.230 8.723 -0.493 1
1 216 . 4 1 1 A 28 28 GLN HA H 23 4.980 4.990 -0.010 1
1 223 . 4 1 1 A 28 28 GLN CA C 23 54.520 54.199 0.321 1
1 224 . 4 1 1 A 28 28 GLN CB C 23 30.560 30.033 0.527 1
1 226 . 4 1 1 A 28 28 GLN N N 23 123.980 121.123 2.857 1
1 228 . 4 1 1 A 29 29 ASP H H 24 8.710 8.342 0.368 1
1 229 . 4 1 1 A 29 29 ASP HA H 24 4.900 4.969 -0.069 1
1 232 . 4 1 1 A 29 29 ASP CA C 24 53.040 52.453 0.587 1
1 233 . 4 1 1 A 29 29 ASP CB C 24 42.730 43.658 -0.928 1
1 234 . 4 1 1 A 29 29 ASP N N 24 126.160 126.574 -0.414 1
1 235 . 4 1 1 A 30 30 THR H H 25 8.250 8.878 -0.628 1
1 236 . 4 1 1 A 30 30 THR HA H 25 4.120 4.017 0.103 1
1 241 . 4 1 1 A 30 30 THR CA C 25 65.160 65.731 -0.571 1
1 242 . 4 1 1 A 30 30 THR CB C 25 68.870 68.205 0.665 1
1 244 . 4 1 1 A 30 30 THR N N 25 112.460 116.278 -3.818 1
1 245 . 4 1 1 A 31 31 SER H H 26 8.940 7.993 0.947 1
1 246 . 4 1 1 A 31 31 SER HA H 26 4.560 4.265 0.295 1
1 249 . 4 1 1 A 31 31 SER CA C 26 59.690 62.073 -2.383 1
1 250 . 4 1 1 A 31 31 SER CB C 26 64.170 63.356 0.814 1
1 251 . 4 1 1 A 31 31 SER N N 26 117.280 117.369 -0.089 1
1 252 . 4 1 1 A 32 32 GLY H H 27 7.890 7.524 0.366 1
1 253 . 4 1 1 A 32 32 GLY HA2 H 27 3.950 4.143 -0.193 1
1 254 . 4 1 1 A 32 32 GLY HA3 H 27 4.760 4.284 0.476 1
1 255 . 4 1 1 A 32 32 GLY CA C 27 44.820 45.915 -1.095 1
1 256 . 4 1 1 A 32 32 GLY N N 27 110.950 105.149 5.801 1
1 257 . 4 1 1 A 33 33 THR H H 28 8.460 8.434 0.026 1
1 258 . 4 1 1 A 33 33 THR HA H 28 5.230 5.032 0.198 1
1 263 . 4 1 1 A 33 33 THR CA C 28 61.750 62.982 -1.232 1
1 264 . 4 1 1 A 33 33 THR CB C 28 70.530 68.808 1.722 1
1 266 . 4 1 1 A 33 33 THR N N 28 117.690 116.486 1.204 1
1 267 . 4 1 1 A 34 34 TYR H H 29 8.700 8.479 0.221 1
1 268 . 4 1 1 A 34 34 TYR HA H 29 4.670 5.284 -0.614 1
1 275 . 4 1 1 A 34 34 TYR CA C 29 55.500 55.362 0.138 1
1 276 . 4 1 1 A 34 34 TYR CB C 29 38.140 41.352 -3.212 1
1 277 . 4 1 1 A 34 34 TYR N N 29 123.420 125.106 -1.686 1
1 278 . 4 1 1 A 35 35 TYR H H 30 8.920 9.193 -0.273 1
1 279 . 4 1 1 A 35 35 TYR HA H 30 5.330 5.761 -0.431 1
1 286 . 4 1 1 A 35 35 TYR CA C 30 57.550 56.644 0.906 1
1 287 . 4 1 1 A 35 35 TYR CB C 30 41.270 41.656 -0.386 1
1 288 . 4 1 1 A 35 35 TYR N N 30 116.920 116.760 0.160 1
1 289 . 4 1 1 A 36 36 TRP H H 31 9.580 8.965 0.615 1
1 290 . 4 1 1 A 36 36 TRP HA H 31 5.740 5.464 0.276 1
1 299 . 4 1 1 A 36 36 TRP CA C 31 54.290 56.194 -1.904 1
1 300 . 4 1 1 A 36 36 TRP CB C 31 33.420 31.373 2.047 1
1 301 . 4 1 1 A 36 36 TRP N N 31 126.100 126.129 -0.029 1
1 303 . 4 1 1 A 37 37 HIS H H 32 8.950 9.062 -0.112 1
1 304 . 4 1 1 A 37 37 HIS HA H 32 3.940 3.981 -0.041 1
1 309 . 4 1 1 A 37 37 HIS CA C 32 55.050 54.582 0.468 1
1 310 . 4 1 1 A 37 37 HIS CB C 32 29.110 29.492 -0.382 1
1 311 . 4 1 1 A 37 37 HIS N N 32 130.940 127.309 3.631 1
1 312 . 4 1 1 A 38 38 ILE H H 33 8.130 7.930 0.200 1
1 313 . 4 1 1 A 38 38 ILE HA H 33 2.920 3.183 -0.263 1
1 323 . 4 1 1 A 38 38 ILE CA C 33 65.700 65.910 -0.210 1
1 324 . 4 1 1 A 38 38 ILE CB C 33 35.350 34.901 0.449 1
1 328 . 4 1 1 A 38 38 ILE N N 33 127.650 126.801 0.849 1
1 329 . 4 1 1 A 39 39 PRO HA H 34 4.120 4.127 -0.007 1
1 336 . 4 1 1 A 39 39 PRO CA C 34 65.700 66.124 -0.424 1
1 337 . 4 1 1 A 39 39 PRO CB C 34 32.150 30.579 1.571 1
1 340 . 4 1 1 A 40 40 THR H H 35 6.470 7.054 -0.584 1
1 341 . 4 1 1 A 40 40 THR HA H 35 4.510 4.109 0.401 1
1 346 . 4 1 1 A 40 40 THR CA C 35 61.240 62.210 -0.970 1
1 347 . 4 1 1 A 40 40 THR CB C 35 72.280 70.112 2.168 1
1 349 . 4 1 1 A 40 40 THR N N 35 100.770 109.094 -8.324 1
1 350 . 4 1 1 A 41 41 GLY H H 36 8.530 7.853 0.677 1
1 351 . 4 1 1 A 41 41 GLY HA2 H 36 3.660 4.016 -0.356 1
1 352 . 4 1 1 A 41 41 GLY HA3 H 36 4.210 4.133 0.077 1
1 353 . 4 1 1 A 41 41 GLY CA C 36 46.220 45.214 1.006 1
1 354 . 4 1 1 A 41 41 GLY N N 36 113.280 111.038 2.242 1
1 355 . 4 1 1 A 42 42 THR H H 37 7.460 7.601 -0.141 1
1 356 . 4 1 1 A 42 42 THR HA H 37 4.260 4.369 -0.109 1
1 361 . 4 1 1 A 42 42 THR CA C 37 63.660 63.000 0.660 1
1 362 . 4 1 1 A 42 42 THR CB C 37 69.960 69.888 0.072 1
1 364 . 4 1 1 A 42 42 THR N N 37 115.720 116.658 -0.938 1
1 365 . 4 1 1 A 43 43 THR H H 38 8.420 8.739 -0.319 1
1 366 . 4 1 1 A 43 43 THR HA H 38 5.920 5.858 0.062 1
1 371 . 4 1 1 A 43 43 THR CA C 38 59.560 59.514 0.046 1
1 372 . 4 1 1 A 43 43 THR CB C 38 72.140 72.102 0.038 1
1 374 . 4 1 1 A 43 43 THR N N 38 116.010 114.005 2.005 1
1 375 . 4 1 1 A 44 44 GLN H H 39 9.180 8.691 0.489 1
1 376 . 4 1 1 A 44 44 GLN HA H 39 4.930 5.078 -0.148 1
1 383 . 4 1 1 A 44 44 GLN CA C 39 54.890 54.361 0.529 1
1 384 . 4 1 1 A 44 44 GLN CB C 39 32.550 31.260 1.290 1
1 386 . 4 1 1 A 44 44 GLN N N 39 116.860 118.514 -1.654 1
1 388 . 4 1 1 A 45 45 TRP H H 40 8.890 8.744 0.146 1
1 389 . 4 1 1 A 45 45 TRP HA H 40 4.820 5.103 -0.283 1
1 397 . 4 1 1 A 45 45 TRP CA C 40 59.410 58.777 0.633 1
1 398 . 4 1 1 A 45 45 TRP CB C 40 30.270 31.648 -1.378 1
1 399 . 4 1 1 A 45 45 TRP N N 40 121.200 122.147 -0.947 1
1 400 . 4 1 1 A 46 46 GLU H H 41 7.970 8.062 -0.092 1
1 401 . 4 1 1 A 46 46 GLU HA H 41 4.720 4.482 0.238 1
1 406 . 4 1 1 A 46 46 GLU CA C 41 54.070 54.445 -0.375 1
1 407 . 4 1 1 A 46 46 GLU CB C 41 29.640 28.666 0.974 1
1 409 . 4 1 1 A 46 46 GLU N N 41 119.500 118.433 1.067 1
1 410 . 4 1 1 A 47 47 PRO HA H 42 2.900 3.626 -0.726 1
1 417 . 4 1 1 A 47 47 PRO CA C 42 60.700 61.651 -0.951 1
1 418 . 4 1 1 A 47 47 PRO CB C 42 29.760 31.741 -1.981 1
1 421 . 4 1 1 A 48 48 PRO HA H 43 3.770 3.960 -0.190 1
1 428 . 4 1 1 A 48 48 PRO CA C 43 61.890 63.232 -1.342 1
1 429 . 4 1 1 A 48 48 PRO CB C 43 30.880 31.370 -0.490 1
1 432 . 4 1 1 A 49 49 GLY H H 44 8.020 8.700 -0.680 1
1 433 . 4 1 1 A 49 49 GLY HA2 H 44 3.770 3.865 -0.095 1
1 434 . 4 1 1 A 49 49 GLY HA3 H 44 3.770 3.886 -0.116 1
1 435 . 4 1 1 A 49 49 GLY CA C 44 44.770 45.740 -0.970 1
1 436 . 4 1 1 A 49 49 GLY N N 44 107.850 111.156 -3.306 1
1 437 . 4 1 1 A 50 50 ARG H H 45 7.980 8.136 -0.156 1
1 438 . 4 1 1 A 50 50 ARG HA H 45 4.280 4.599 -0.319 1
1 445 . 4 1 1 A 50 50 ARG CA C 45 55.730 56.979 -1.249 1
1 446 . 4 1 1 A 50 50 ARG CB C 45 31.150 33.673 -2.523 1
1 449 . 4 1 1 A 50 50 ARG N N 45 119.870 118.721 1.149 1
1 450 . 4 1 1 A 51 51 ALA H H 46 8.340 7.279 1.061 1
1 451 . 4 1 1 A 51 51 ALA HA H 46 4.330 4.558 -0.228 1
1 455 . 4 1 1 A 51 51 ALA CA C 46 52.290 50.782 1.508 1
1 456 . 4 1 1 A 51 51 ALA CB C 46 19.450 19.410 0.040 1
1 457 . 4 1 1 A 51 51 ALA N N 46 125.360 122.862 2.498 1
1 458 . 4 1 1 A 52 52 SER H H 47 8.360 8.481 -0.121 1
1 459 . 4 1 1 A 52 52 SER HA H 47 4.730 4.855 -0.125 1
1 462 . 4 1 1 A 52 52 SER CA C 47 56.520 55.507 1.013 1
1 463 . 4 1 1 A 52 52 SER CB C 47 63.460 66.847 -3.387 1
1 464 . 4 1 1 A 52 52 SER N N 47 117.200 117.911 -0.711 1
1 465 . 4 1 1 A 53 53 PRO HA H 48 4.490 4.662 -0.172 1
1 472 . 4 1 1 A 53 53 PRO CA C 48 63.450 62.336 1.114 1
1 473 . 4 1 1 A 53 53 PRO CB C 48 32.280 33.182 -0.902 1
1 476 . 4 1 1 A 54 54 SER H H 49 8.420 8.448 -0.028 1
1 477 . 4 1 1 A 54 54 SER HA H 49 4.440 4.845 -0.405 1
1 480 . 4 1 1 A 54 54 SER CA C 49 58.490 56.929 1.561 1
1 481 . 4 1 1 A 54 54 SER CB C 49 63.990 66.514 -2.524 1
1 482 . 4 1 1 A 54 54 SER N N 49 116.680 114.156 2.524 1
1 8 . 5 1 1 A 7 7 SER H H 2 8.110 8.086 0.024 1
1 9 . 5 1 1 A 7 7 SER HA H 2 4.360 5.132 -0.772 1
1 12 . 5 1 1 A 7 7 SER CA C 2 58.690 56.925 1.765 1
1 13 . 5 1 1 A 7 7 SER CB C 2 63.740 66.857 -3.117 1
1 14 . 5 1 1 A 7 7 SER N N 2 115.530 113.085 2.445 1
1 15 . 5 1 1 A 8 8 PHE H H 3 8.100 9.178 -1.078 1
1 16 . 5 1 1 A 8 8 PHE HA H 3 4.580 4.758 -0.178 1
1 21 . 5 1 1 A 8 8 PHE CA C 3 57.940 59.256 -1.316 1
1 22 . 5 1 1 A 8 8 PHE CB C 3 39.440 40.808 -1.368 1
1 23 . 5 1 1 A 8 8 PHE N N 3 121.690 123.300 -1.610 1
1 24 . 5 1 1 A 9 9 TRP H H 4 7.960 8.271 -0.311 1
1 25 . 5 1 1 A 9 9 TRP HA H 4 4.580 4.566 0.014 1
1 33 . 5 1 1 A 9 9 TRP CA C 4 57.320 57.497 -0.177 1
1 34 . 5 1 1 A 9 9 TRP CB C 4 29.740 30.259 -0.519 1
1 35 . 5 1 1 A 9 9 TRP N N 4 122.750 119.396 3.354 1
1 36 . 5 1 1 A 10 10 ASN H H 5 7.960 8.635 -0.675 1
1 37 . 5 1 1 A 10 10 ASN HA H 5 4.770 4.790 -0.020 1
1 42 . 5 1 1 A 10 10 ASN CA C 5 50.520 52.141 -1.621 1
1 43 . 5 1 1 A 10 10 ASN CB C 5 39.570 38.003 1.567 1
1 44 . 5 1 1 A 10 10 ASN N N 5 122.600 119.777 2.823 1
1 46 . 5 1 1 A 11 11 PRO HA H 6 4.090 4.563 -0.473 1
1 53 . 5 1 1 A 11 11 PRO CA C 6 63.660 64.513 -0.853 1
1 54 . 5 1 1 A 11 11 PRO CB C 6 32.160 32.145 0.015 1
1 57 . 5 1 1 A 12 12 ASN H H 7 8.100 7.913 0.187 1
1 58 . 5 1 1 A 12 12 ASN HA H 7 4.640 5.047 -0.407 1
1 63 . 5 1 1 A 12 12 ASN CA C 7 53.330 51.962 1.368 1
1 64 . 5 1 1 A 12 12 ASN CB C 7 38.910 39.471 -0.561 1
1 65 . 5 1 1 A 12 12 ASN N N 7 116.820 114.493 2.327 1
1 67 . 5 1 1 A 13 13 ALA H H 8 7.760 7.940 -0.180 1
1 68 . 5 1 1 A 13 13 ALA HA H 8 4.190 4.036 0.154 1
1 72 . 5 1 1 A 13 13 ALA CA C 8 52.840 54.146 -1.306 1
1 73 . 5 1 1 A 13 13 ALA CB C 8 19.240 17.769 1.471 1
1 74 . 5 1 1 A 13 13 ALA N N 8 123.280 120.566 2.714 1
1 75 . 5 1 1 A 14 14 PHE H H 9 7.980 8.421 -0.441 1
1 76 . 5 1 1 A 14 14 PHE HA H 9 4.680 4.727 -0.047 1
1 81 . 5 1 1 A 14 14 PHE CA C 9 57.310 56.566 0.744 1
1 82 . 5 1 1 A 14 14 PHE CB C 9 39.790 40.224 -0.434 1
1 83 . 5 1 1 A 14 14 PHE N N 9 118.120 116.300 1.820 1
1 84 . 5 1 1 A 15 15 GLU H H 10 8.340 9.125 -0.785 1
1 85 . 5 1 1 A 15 15 GLU HA H 10 4.410 4.460 -0.050 1
1 90 . 5 1 1 A 15 15 GLU CA C 10 56.550 55.571 0.979 1
1 91 . 5 1 1 A 15 15 GLU CB C 10 30.750 33.588 -2.838 1
1 93 . 5 1 1 A 15 15 GLU N N 10 122.120 118.703 3.417 1
1 94 . 5 1 1 A 16 16 THR H H 11 8.230 8.682 -0.452 1
1 95 . 5 1 1 A 16 16 THR HA H 11 4.380 4.533 -0.153 1
1 100 . 5 1 1 A 16 16 THR CA C 11 61.900 62.607 -0.707 1
1 101 . 5 1 1 A 16 16 THR CB C 11 69.890 69.675 0.215 1
1 103 . 5 1 1 A 16 16 THR N N 11 114.830 118.681 -3.851 1
1 104 . 5 1 1 A 17 17 ASP H H 12 8.480 8.600 -0.120 1
1 105 . 5 1 1 A 17 17 ASP HA H 12 4.710 4.652 0.058 1
1 108 . 5 1 1 A 17 17 ASP CA C 12 54.650 54.926 -0.276 1
1 109 . 5 1 1 A 17 17 ASP CB C 12 41.480 41.313 0.167 1
1 110 . 5 1 1 A 17 17 ASP N N 12 122.650 122.464 0.186 1
1 111 . 5 1 1 A 18 18 SER H H 13 8.330 8.749 -0.419 1
1 112 . 5 1 1 A 18 18 SER HA H 13 4.430 4.477 -0.047 1
1 115 . 5 1 1 A 18 18 SER CA C 13 59.130 60.216 -1.086 1
1 116 . 5 1 1 A 18 18 SER CB C 13 63.900 63.233 0.667 1
1 117 . 5 1 1 A 18 18 SER N N 13 116.280 115.399 0.881 1
1 118 . 5 1 1 A 19 19 ASP H H 14 8.560 7.836 0.724 1
1 119 . 5 1 1 A 19 19 ASP HA H 14 4.630 4.868 -0.238 1
1 122 . 5 1 1 A 19 19 ASP CA C 14 54.300 53.538 0.762 1
1 123 . 5 1 1 A 19 19 ASP CB C 14 40.820 41.108 -0.288 1
1 124 . 5 1 1 A 19 19 ASP N N 14 121.330 119.668 1.662 1
1 125 . 5 1 1 A 20 20 LEU H H 15 7.990 7.647 0.343 1
1 126 . 5 1 1 A 20 20 LEU HA H 15 4.630 4.356 0.274 1
1 136 . 5 1 1 A 20 20 LEU CA C 15 52.640 53.256 -0.616 1
1 137 . 5 1 1 A 20 20 LEU CB C 15 42.530 40.717 1.813 1
1 141 . 5 1 1 A 20 20 LEU N N 15 121.650 122.046 -0.396 1
1 142 . 5 1 1 A 21 21 PRO HA H 16 4.570 4.579 -0.009 1
1 149 . 5 1 1 A 21 21 PRO CA C 16 62.080 62.308 -0.228 1
1 150 . 5 1 1 A 21 21 PRO CB C 16 31.760 33.176 -1.416 1
1 153 . 5 1 1 A 22 22 ALA H H 17 8.410 8.312 0.098 1
1 154 . 5 1 1 A 22 22 ALA HA H 17 4.210 4.561 -0.351 1
1 158 . 5 1 1 A 22 22 ALA CA C 17 53.950 52.648 1.302 1
1 159 . 5 1 1 A 22 22 ALA CB C 17 18.650 19.855 -1.205 1
1 160 . 5 1 1 A 22 22 ALA N N 17 122.940 123.339 -0.399 1
1 161 . 5 1 1 A 23 23 GLY H H 18 8.710 8.917 -0.207 1
1 162 . 5 1 1 A 23 23 GLY HA2 H 18 3.460 3.907 -0.447 1
1 163 . 5 1 1 A 23 23 GLY HA3 H 18 3.890 3.944 -0.054 1
1 164 . 5 1 1 A 23 23 GLY CA C 18 45.110 45.124 -0.014 1
1 165 . 5 1 1 A 23 23 GLY N N 18 110.320 110.233 0.087 1
1 166 . 5 1 1 A 24 24 TRP H H 19 7.810 7.986 -0.176 1
1 167 . 5 1 1 A 24 24 TRP HA H 19 5.520 4.623 0.897 1
1 175 . 5 1 1 A 24 24 TRP CA C 19 57.020 57.575 -0.555 1
1 176 . 5 1 1 A 24 24 TRP CB C 19 32.270 30.658 1.612 1
1 177 . 5 1 1 A 24 24 TRP N N 19 118.390 121.110 -2.720 1
1 178 . 5 1 1 A 25 25 MET H H 20 9.570 8.949 0.621 1
1 179 . 5 1 1 A 25 25 MET HA H 20 4.940 5.319 -0.379 1
1 184 . 5 1 1 A 25 25 MET CA C 20 54.390 54.243 0.147 1
1 185 . 5 1 1 A 25 25 MET CB C 20 37.220 36.472 0.748 1
1 187 . 5 1 1 A 25 25 MET N N 20 119.380 121.395 -2.015 1
1 188 . 5 1 1 A 26 26 ARG H H 21 8.880 8.840 0.040 1
1 189 . 5 1 1 A 26 26 ARG HA H 21 4.490 4.924 -0.434 1
1 196 . 5 1 1 A 26 26 ARG CA C 21 55.570 54.681 0.889 1
1 197 . 5 1 1 A 26 26 ARG CB C 21 31.880 32.272 -0.392 1
1 200 . 5 1 1 A 26 26 ARG N N 21 124.980 123.257 1.723 1
1 201 . 5 1 1 A 27 27 VAL H H 22 8.860 8.025 0.835 1
1 202 . 5 1 1 A 27 27 VAL HA H 22 3.960 4.607 -0.647 1
1 210 . 5 1 1 A 27 27 VAL CA C 22 61.320 60.133 1.187 1
1 211 . 5 1 1 A 27 27 VAL CB C 22 33.470 33.942 -0.472 1
1 214 . 5 1 1 A 27 27 VAL N N 22 128.370 126.203 2.167 1
1 215 . 5 1 1 A 28 28 GLN H H 23 8.230 8.862 -0.632 1
1 216 . 5 1 1 A 28 28 GLN HA H 23 4.980 5.022 -0.042 1
1 223 . 5 1 1 A 28 28 GLN CA C 23 54.520 54.635 -0.115 1
1 224 . 5 1 1 A 28 28 GLN CB C 23 30.560 29.157 1.403 1
1 226 . 5 1 1 A 28 28 GLN N N 23 123.980 121.645 2.335 1
1 228 . 5 1 1 A 29 29 ASP H H 24 8.710 8.463 0.247 1
1 229 . 5 1 1 A 29 29 ASP HA H 24 4.900 4.852 0.048 1
1 232 . 5 1 1 A 29 29 ASP CA C 24 53.040 54.195 -1.155 1
1 233 . 5 1 1 A 29 29 ASP CB C 24 42.730 41.967 0.763 1
1 234 . 5 1 1 A 29 29 ASP N N 24 126.160 125.441 0.719 1
1 235 . 5 1 1 A 30 30 THR H H 25 8.250 8.877 -0.627 1
1 236 . 5 1 1 A 30 30 THR HA H 25 4.120 3.933 0.187 1
1 241 . 5 1 1 A 30 30 THR CA C 25 65.160 65.159 0.001 1
1 242 . 5 1 1 A 30 30 THR CB C 25 68.870 68.336 0.534 1
1 244 . 5 1 1 A 30 30 THR N N 25 112.460 118.159 -5.699 1
1 245 . 5 1 1 A 31 31 SER H H 26 8.940 8.180 0.760 1
1 246 . 5 1 1 A 31 31 SER HA H 26 4.560 4.347 0.213 1
1 249 . 5 1 1 A 31 31 SER CA C 26 59.690 60.140 -0.450 1
1 250 . 5 1 1 A 31 31 SER CB C 26 64.170 63.536 0.634 1
1 251 . 5 1 1 A 31 31 SER N N 26 117.280 115.540 1.740 1
1 252 . 5 1 1 A 32 32 GLY H H 27 7.890 7.359 0.531 1
1 253 . 5 1 1 A 32 32 GLY HA2 H 27 3.950 4.134 -0.184 1
1 254 . 5 1 1 A 32 32 GLY HA3 H 27 4.760 4.205 0.555 1
1 255 . 5 1 1 A 32 32 GLY CA C 27 44.820 45.422 -0.602 1
1 256 . 5 1 1 A 32 32 GLY N N 27 110.950 105.851 5.099 1
1 257 . 5 1 1 A 33 33 THR H H 28 8.460 8.657 -0.197 1
1 258 . 5 1 1 A 33 33 THR HA H 28 5.230 5.143 0.087 1
1 263 . 5 1 1 A 33 33 THR CA C 28 61.750 63.277 -1.527 1
1 264 . 5 1 1 A 33 33 THR CB C 28 70.530 68.931 1.599 1
1 266 . 5 1 1 A 33 33 THR N N 28 117.690 116.302 1.388 1
1 267 . 5 1 1 A 34 34 TYR H H 29 8.700 8.481 0.219 1
1 268 . 5 1 1 A 34 34 TYR HA H 29 4.670 5.043 -0.373 1
1 275 . 5 1 1 A 34 34 TYR CA C 29 55.500 55.025 0.475 1
1 276 . 5 1 1 A 34 34 TYR CB C 29 38.140 40.712 -2.572 1
1 277 . 5 1 1 A 34 34 TYR N N 29 123.420 125.090 -1.670 1
1 278 . 5 1 1 A 35 35 TYR H H 30 8.920 8.665 0.255 1
1 279 . 5 1 1 A 35 35 TYR HA H 30 5.330 5.667 -0.337 1
1 286 . 5 1 1 A 35 35 TYR CA C 30 57.550 56.564 0.986 1
1 287 . 5 1 1 A 35 35 TYR CB C 30 41.270 41.380 -0.110 1
1 288 . 5 1 1 A 35 35 TYR N N 30 116.920 116.597 0.323 1
1 289 . 5 1 1 A 36 36 TRP H H 31 9.580 8.950 0.630 1
1 290 . 5 1 1 A 36 36 TRP HA H 31 5.740 5.400 0.340 1
1 299 . 5 1 1 A 36 36 TRP CA C 31 54.290 56.223 -1.933 1
1 300 . 5 1 1 A 36 36 TRP CB C 31 33.420 31.148 2.272 1
1 301 . 5 1 1 A 36 36 TRP N N 31 126.100 126.159 -0.059 1
1 303 . 5 1 1 A 37 37 HIS H H 32 8.950 8.962 -0.012 1
1 304 . 5 1 1 A 37 37 HIS HA H 32 3.940 3.705 0.235 1
1 309 . 5 1 1 A 37 37 HIS CA C 32 55.050 54.479 0.571 1
1 310 . 5 1 1 A 37 37 HIS CB C 32 29.110 29.355 -0.245 1
1 311 . 5 1 1 A 37 37 HIS N N 32 130.940 127.259 3.681 1
1 312 . 5 1 1 A 38 38 ILE H H 33 8.130 7.908 0.222 1
1 313 . 5 1 1 A 38 38 ILE HA H 33 2.920 3.269 -0.349 1
1 323 . 5 1 1 A 38 38 ILE CA C 33 65.700 65.953 -0.253 1
1 324 . 5 1 1 A 38 38 ILE CB C 33 35.350 35.156 0.194 1
1 328 . 5 1 1 A 38 38 ILE N N 33 127.650 126.767 0.883 1
1 329 . 5 1 1 A 39 39 PRO HA H 34 4.120 4.095 0.025 1
1 336 . 5 1 1 A 39 39 PRO CA C 34 65.700 66.263 -0.563 1
1 337 . 5 1 1 A 39 39 PRO CB C 34 32.150 30.630 1.520 1
1 340 . 5 1 1 A 40 40 THR H H 35 6.470 7.159 -0.689 1
1 341 . 5 1 1 A 40 40 THR HA H 35 4.510 4.231 0.279 1
1 346 . 5 1 1 A 40 40 THR CA C 35 61.240 63.055 -1.815 1
1 347 . 5 1 1 A 40 40 THR CB C 35 72.280 69.398 2.882 1
1 349 . 5 1 1 A 40 40 THR N N 35 100.770 110.367 -9.597 1
1 350 . 5 1 1 A 41 41 GLY H H 36 8.530 7.902 0.628 1
1 351 . 5 1 1 A 41 41 GLY HA2 H 36 3.660 4.011 -0.351 1
1 352 . 5 1 1 A 41 41 GLY HA3 H 36 4.210 4.138 0.072 1
1 353 . 5 1 1 A 41 41 GLY CA C 36 46.220 45.210 1.010 1
1 354 . 5 1 1 A 41 41 GLY N N 36 113.280 109.833 3.447 1
1 355 . 5 1 1 A 42 42 THR H H 37 7.460 7.614 -0.154 1
1 356 . 5 1 1 A 42 42 THR HA H 37 4.260 4.293 -0.033 1
1 361 . 5 1 1 A 42 42 THR CA C 37 63.660 63.064 0.596 1
1 362 . 5 1 1 A 42 42 THR CB C 37 69.960 69.782 0.178 1
1 364 . 5 1 1 A 42 42 THR N N 37 115.720 116.485 -0.765 1
1 365 . 5 1 1 A 43 43 THR H H 38 8.420 8.780 -0.360 1
1 366 . 5 1 1 A 43 43 THR HA H 38 5.920 5.600 0.320 1
1 371 . 5 1 1 A 43 43 THR CA C 38 59.560 59.659 -0.099 1
1 372 . 5 1 1 A 43 43 THR CB C 38 72.140 71.830 0.310 1
1 374 . 5 1 1 A 43 43 THR N N 38 116.010 114.035 1.975 1
1 375 . 5 1 1 A 44 44 GLN H H 39 9.180 8.350 0.830 1
1 376 . 5 1 1 A 44 44 GLN HA H 39 4.930 4.895 0.035 1
1 383 . 5 1 1 A 44 44 GLN CA C 39 54.890 53.795 1.095 1
1 384 . 5 1 1 A 44 44 GLN CB C 39 32.550 32.568 -0.018 1
1 386 . 5 1 1 A 44 44 GLN N N 39 116.860 118.264 -1.404 1
1 388 . 5 1 1 A 45 45 TRP H H 40 8.890 8.595 0.295 1
1 389 . 5 1 1 A 45 45 TRP HA H 40 4.820 5.061 -0.241 1
1 397 . 5 1 1 A 45 45 TRP CA C 40 59.410 58.344 1.066 1
1 398 . 5 1 1 A 45 45 TRP CB C 40 30.270 31.974 -1.704 1
1 399 . 5 1 1 A 45 45 TRP N N 40 121.200 120.389 0.811 1
1 400 . 5 1 1 A 46 46 GLU H H 41 7.970 8.128 -0.158 1
1 401 . 5 1 1 A 46 46 GLU HA H 41 4.720 4.805 -0.085 1
1 406 . 5 1 1 A 46 46 GLU CA C 41 54.070 54.775 -0.705 1
1 407 . 5 1 1 A 46 46 GLU CB C 41 29.640 28.762 0.878 1
1 409 . 5 1 1 A 46 46 GLU N N 41 119.500 118.554 0.946 1
1 410 . 5 1 1 A 47 47 PRO HA H 42 2.900 3.881 -0.981 1
1 417 . 5 1 1 A 47 47 PRO CA C 42 60.700 61.981 -1.281 1
1 418 . 5 1 1 A 47 47 PRO CB C 42 29.760 31.474 -1.714 1
1 421 . 5 1 1 A 48 48 PRO HA H 43 3.770 4.298 -0.528 1
1 428 . 5 1 1 A 48 48 PRO CA C 43 61.890 61.928 -0.038 1
1 429 . 5 1 1 A 48 48 PRO CB C 43 30.880 28.683 2.197 1
1 432 . 5 1 1 A 49 49 GLY H H 44 8.020 8.451 -0.431 1
1 433 . 5 1 1 A 49 49 GLY HA2 H 44 3.770 3.984 -0.214 1
1 434 . 5 1 1 A 49 49 GLY HA3 H 44 3.770 3.995 -0.225 1
1 435 . 5 1 1 A 49 49 GLY CA C 44 44.770 45.604 -0.834 1
1 436 . 5 1 1 A 49 49 GLY N N 44 107.850 110.103 -2.253 1
1 437 . 5 1 1 A 50 50 ARG H H 45 7.980 7.575 0.405 1
1 438 . 5 1 1 A 50 50 ARG HA H 45 4.280 4.355 -0.075 1
1 445 . 5 1 1 A 50 50 ARG CA C 45 55.730 55.265 0.465 1
1 446 . 5 1 1 A 50 50 ARG CB C 45 31.150 30.864 0.286 1
1 449 . 5 1 1 A 50 50 ARG N N 45 119.870 119.060 0.810 1
1 450 . 5 1 1 A 51 51 ALA H H 46 8.340 7.892 0.448 1
1 451 . 5 1 1 A 51 51 ALA HA H 46 4.330 4.477 -0.147 1
1 455 . 5 1 1 A 51 51 ALA CA C 46 52.290 51.424 0.866 1
1 456 . 5 1 1 A 51 51 ALA CB C 46 19.450 20.003 -0.553 1
1 457 . 5 1 1 A 51 51 ALA N N 46 125.360 123.763 1.597 1
1 458 . 5 1 1 A 52 52 SER H H 47 8.360 7.640 0.720 1
1 459 . 5 1 1 A 52 52 SER HA H 47 4.730 4.777 -0.047 1
1 462 . 5 1 1 A 52 52 SER CA C 47 56.520 56.348 0.172 1
1 463 . 5 1 1 A 52 52 SER CB C 47 63.460 63.184 0.276 1
1 464 . 5 1 1 A 52 52 SER N N 47 117.200 113.904 3.296 1
1 465 . 5 1 1 A 53 53 PRO HA H 48 4.490 4.431 0.059 1
1 472 . 5 1 1 A 53 53 PRO CA C 48 63.450 64.070 -0.620 1
1 473 . 5 1 1 A 53 53 PRO CB C 48 32.280 31.747 0.533 1
1 476 . 5 1 1 A 54 54 SER H H 49 8.420 8.291 0.129 1
1 477 . 5 1 1 A 54 54 SER HA H 49 4.440 4.414 0.026 1
1 480 . 5 1 1 A 54 54 SER CA C 49 58.490 59.690 -1.200 1
1 481 . 5 1 1 A 54 54 SER CB C 49 63.990 63.938 0.052 1
1 482 . 5 1 1 A 54 54 SER N N 49 116.680 112.845 3.835 1
1 8 . 6 1 1 A 7 7 SER H H 2 8.110 8.849 -0.739 1
1 9 . 6 1 1 A 7 7 SER HA H 2 4.360 4.034 0.326 1
1 12 . 6 1 1 A 7 7 SER CA C 2 58.690 58.710 -0.020 1
1 13 . 6 1 1 A 7 7 SER CB C 2 63.740 61.494 2.246 1
1 14 . 6 1 1 A 7 7 SER N N 2 115.530 114.283 1.247 1
1 15 . 6 1 1 A 8 8 PHE H H 3 8.100 8.381 -0.281 1
1 16 . 6 1 1 A 8 8 PHE HA H 3 4.580 4.669 -0.089 1
1 21 . 6 1 1 A 8 8 PHE CA C 3 57.940 59.216 -1.276 1
1 22 . 6 1 1 A 8 8 PHE CB C 3 39.440 40.042 -0.602 1
1 23 . 6 1 1 A 8 8 PHE N N 3 121.690 117.919 3.771 1
1 24 . 6 1 1 A 9 9 TRP H H 4 7.960 7.499 0.461 1
1 25 . 6 1 1 A 9 9 TRP HA H 4 4.580 5.021 -0.441 1
1 33 . 6 1 1 A 9 9 TRP CA C 4 57.320 56.446 0.874 1
1 34 . 6 1 1 A 9 9 TRP CB C 4 29.740 31.280 -1.540 1
1 35 . 6 1 1 A 9 9 TRP N N 4 122.750 117.999 4.751 1
1 36 . 6 1 1 A 10 10 ASN H H 5 7.960 8.661 -0.701 1
1 37 . 6 1 1 A 10 10 ASN HA H 5 4.770 4.732 0.038 1
1 42 . 6 1 1 A 10 10 ASN CA C 5 50.520 51.226 -0.706 1
1 43 . 6 1 1 A 10 10 ASN CB C 5 39.570 38.180 1.390 1
1 44 . 6 1 1 A 10 10 ASN N N 5 122.600 119.794 2.806 1
1 46 . 6 1 1 A 11 11 PRO HA H 6 4.090 4.118 -0.028 1
1 53 . 6 1 1 A 11 11 PRO CA C 6 63.660 65.686 -2.026 1
1 54 . 6 1 1 A 11 11 PRO CB C 6 32.160 31.197 0.963 1
1 57 . 6 1 1 A 12 12 ASN H H 7 8.100 7.866 0.234 1
1 58 . 6 1 1 A 12 12 ASN HA H 7 4.640 4.886 -0.246 1
1 63 . 6 1 1 A 12 12 ASN CA C 7 53.330 54.453 -1.123 1
1 64 . 6 1 1 A 12 12 ASN CB C 7 38.910 39.969 -1.059 1
1 65 . 6 1 1 A 12 12 ASN N N 7 116.820 115.106 1.714 1
1 67 . 6 1 1 A 13 13 ALA H H 8 7.760 7.932 -0.172 1
1 68 . 6 1 1 A 13 13 ALA HA H 8 4.190 3.993 0.197 1
1 72 . 6 1 1 A 13 13 ALA CA C 8 52.840 52.927 -0.087 1
1 73 . 6 1 1 A 13 13 ALA CB C 8 19.240 17.491 1.749 1
1 74 . 6 1 1 A 13 13 ALA N N 8 123.280 120.792 2.488 1
1 75 . 6 1 1 A 14 14 PHE H H 9 7.980 8.002 -0.022 1
1 76 . 6 1 1 A 14 14 PHE HA H 9 4.680 4.773 -0.093 1
1 81 . 6 1 1 A 14 14 PHE CA C 9 57.310 58.197 -0.887 1
1 82 . 6 1 1 A 14 14 PHE CB C 9 39.790 41.447 -1.657 1
1 83 . 6 1 1 A 14 14 PHE N N 9 118.120 118.310 -0.190 1
1 84 . 6 1 1 A 15 15 GLU H H 10 8.340 8.713 -0.373 1
1 85 . 6 1 1 A 15 15 GLU HA H 10 4.410 4.409 0.001 1
1 90 . 6 1 1 A 15 15 GLU CA C 10 56.550 56.417 0.133 1
1 91 . 6 1 1 A 15 15 GLU CB C 10 30.750 30.843 -0.093 1
1 93 . 6 1 1 A 15 15 GLU N N 10 122.120 127.771 -5.651 1
1 94 . 6 1 1 A 16 16 THR H H 11 8.230 8.682 -0.452 1
1 95 . 6 1 1 A 16 16 THR HA H 11 4.380 4.419 -0.039 1
1 100 . 6 1 1 A 16 16 THR CA C 11 61.900 62.306 -0.406 1
1 101 . 6 1 1 A 16 16 THR CB C 11 69.890 69.624 0.266 1
1 103 . 6 1 1 A 16 16 THR N N 11 114.830 115.985 -1.155 1
1 104 . 6 1 1 A 17 17 ASP H H 12 8.480 8.637 -0.157 1
1 105 . 6 1 1 A 17 17 ASP HA H 12 4.710 4.731 -0.021 1
1 108 . 6 1 1 A 17 17 ASP CA C 12 54.650 53.240 1.410 1
1 109 . 6 1 1 A 17 17 ASP CB C 12 41.480 41.703 -0.223 1
1 110 . 6 1 1 A 17 17 ASP N N 12 122.650 122.658 -0.008 1
1 111 . 6 1 1 A 18 18 SER H H 13 8.330 8.570 -0.240 1
1 112 . 6 1 1 A 18 18 SER HA H 13 4.430 4.326 0.104 1
1 115 . 6 1 1 A 18 18 SER CA C 13 59.130 60.273 -1.143 1
1 116 . 6 1 1 A 18 18 SER CB C 13 63.900 62.864 1.036 1
1 117 . 6 1 1 A 18 18 SER N N 13 116.280 114.062 2.218 1
1 118 . 6 1 1 A 19 19 ASP H H 14 8.560 8.270 0.290 1
1 119 . 6 1 1 A 19 19 ASP HA H 14 4.630 4.833 -0.203 1
1 122 . 6 1 1 A 19 19 ASP CA C 14 54.300 53.214 1.086 1
1 123 . 6 1 1 A 19 19 ASP CB C 14 40.820 41.627 -0.807 1
1 124 . 6 1 1 A 19 19 ASP N N 14 121.330 118.513 2.817 1
1 125 . 6 1 1 A 20 20 LEU H H 15 7.990 7.504 0.486 1
1 126 . 6 1 1 A 20 20 LEU HA H 15 4.630 4.519 0.111 1
1 136 . 6 1 1 A 20 20 LEU CA C 15 52.640 52.664 -0.024 1
1 137 . 6 1 1 A 20 20 LEU CB C 15 42.530 41.429 1.101 1
1 141 . 6 1 1 A 20 20 LEU N N 15 121.650 122.221 -0.571 1
1 142 . 6 1 1 A 21 21 PRO HA H 16 4.570 4.643 -0.073 1
1 149 . 6 1 1 A 21 21 PRO CA C 16 62.080 62.297 -0.217 1
1 150 . 6 1 1 A 21 21 PRO CB C 16 31.760 32.907 -1.147 1
1 153 . 6 1 1 A 22 22 ALA H H 17 8.410 8.274 0.136 1
1 154 . 6 1 1 A 22 22 ALA HA H 17 4.210 4.036 0.174 1
1 158 . 6 1 1 A 22 22 ALA CA C 17 53.950 53.553 0.397 1
1 159 . 6 1 1 A 22 22 ALA CB C 17 18.650 18.548 0.102 1
1 160 . 6 1 1 A 22 22 ALA N N 17 122.940 124.161 -1.221 1
1 161 . 6 1 1 A 23 23 GLY H H 18 8.710 8.864 -0.154 1
1 162 . 6 1 1 A 23 23 GLY HA2 H 18 3.460 3.833 -0.373 1
1 163 . 6 1 1 A 23 23 GLY HA3 H 18 3.890 3.893 -0.003 1
1 164 . 6 1 1 A 23 23 GLY CA C 18 45.110 45.198 -0.088 1
1 165 . 6 1 1 A 23 23 GLY N N 18 110.320 109.980 0.340 1
1 166 . 6 1 1 A 24 24 TRP H H 19 7.810 7.535 0.275 1
1 167 . 6 1 1 A 24 24 TRP HA H 19 5.520 5.111 0.409 1
1 175 . 6 1 1 A 24 24 TRP CA C 19 57.020 56.222 0.798 1
1 176 . 6 1 1 A 24 24 TRP CB C 19 32.270 32.557 -0.287 1
1 177 . 6 1 1 A 24 24 TRP N N 19 118.390 120.708 -2.318 1
1 178 . 6 1 1 A 25 25 MET H H 20 9.570 9.155 0.415 1
1 179 . 6 1 1 A 25 25 MET HA H 20 4.940 5.412 -0.472 1
1 184 . 6 1 1 A 25 25 MET CA C 20 54.390 54.223 0.167 1
1 185 . 6 1 1 A 25 25 MET CB C 20 37.220 36.888 0.332 1
1 187 . 6 1 1 A 25 25 MET N N 20 119.380 121.401 -2.021 1
1 188 . 6 1 1 A 26 26 ARG H H 21 8.880 8.877 0.003 1
1 189 . 6 1 1 A 26 26 ARG HA H 21 4.490 5.062 -0.572 1
1 196 . 6 1 1 A 26 26 ARG CA C 21 55.570 54.732 0.838 1
1 197 . 6 1 1 A 26 26 ARG CB C 21 31.880 32.831 -0.951 1
1 200 . 6 1 1 A 26 26 ARG N N 21 124.980 123.260 1.720 1
1 201 . 6 1 1 A 27 27 VAL H H 22 8.860 8.339 0.521 1
1 202 . 6 1 1 A 27 27 VAL HA H 22 3.960 4.782 -0.822 1
1 210 . 6 1 1 A 27 27 VAL CA C 22 61.320 59.960 1.360 1
1 211 . 6 1 1 A 27 27 VAL CB C 22 33.470 34.023 -0.553 1
1 214 . 6 1 1 A 27 27 VAL N N 22 128.370 126.050 2.320 1
1 215 . 6 1 1 A 28 28 GLN H H 23 8.230 8.708 -0.478 1
1 216 . 6 1 1 A 28 28 GLN HA H 23 4.980 5.041 -0.061 1
1 223 . 6 1 1 A 28 28 GLN CA C 23 54.520 54.469 0.051 1
1 224 . 6 1 1 A 28 28 GLN CB C 23 30.560 29.977 0.583 1
1 226 . 6 1 1 A 28 28 GLN N N 23 123.980 121.183 2.797 1
1 228 . 6 1 1 A 29 29 ASP H H 24 8.710 8.430 0.280 1
1 229 . 6 1 1 A 29 29 ASP HA H 24 4.900 5.045 -0.145 1
1 232 . 6 1 1 A 29 29 ASP CA C 24 53.040 53.212 -0.172 1
1 233 . 6 1 1 A 29 29 ASP CB C 24 42.730 42.549 0.181 1
1 234 . 6 1 1 A 29 29 ASP N N 24 126.160 126.315 -0.155 1
1 235 . 6 1 1 A 30 30 THR H H 25 8.250 8.910 -0.660 1
1 236 . 6 1 1 A 30 30 THR HA H 25 4.120 3.973 0.147 1
1 241 . 6 1 1 A 30 30 THR CA C 25 65.160 66.094 -0.934 1
1 242 . 6 1 1 A 30 30 THR CB C 25 68.870 68.548 0.322 1
1 244 . 6 1 1 A 30 30 THR N N 25 112.460 116.800 -4.340 1
1 245 . 6 1 1 A 31 31 SER H H 26 8.940 7.954 0.986 1
1 246 . 6 1 1 A 31 31 SER HA H 26 4.560 4.330 0.230 1
1 249 . 6 1 1 A 31 31 SER CA C 26 59.690 60.044 -0.354 1
1 250 . 6 1 1 A 31 31 SER CB C 26 64.170 64.079 0.091 1
1 251 . 6 1 1 A 31 31 SER N N 26 117.280 115.003 2.277 1
1 252 . 6 1 1 A 32 32 GLY H H 27 7.890 7.497 0.393 1
1 253 . 6 1 1 A 32 32 GLY HA2 H 27 3.950 4.139 -0.189 1
1 254 . 6 1 1 A 32 32 GLY HA3 H 27 4.760 4.191 0.569 1
1 255 . 6 1 1 A 32 32 GLY CA C 27 44.820 45.320 -0.500 1
1 256 . 6 1 1 A 32 32 GLY N N 27 110.950 107.795 3.155 1
1 257 . 6 1 1 A 33 33 THR H H 28 8.460 8.658 -0.198 1
1 258 . 6 1 1 A 33 33 THR HA H 28 5.230 5.005 0.225 1
1 263 . 6 1 1 A 33 33 THR CA C 28 61.750 63.263 -1.513 1
1 264 . 6 1 1 A 33 33 THR CB C 28 70.530 68.948 1.582 1
1 266 . 6 1 1 A 33 33 THR N N 28 117.690 116.331 1.359 1
1 267 . 6 1 1 A 34 34 TYR H H 29 8.700 8.365 0.335 1
1 268 . 6 1 1 A 34 34 TYR HA H 29 4.670 5.004 -0.334 1
1 275 . 6 1 1 A 34 34 TYR CA C 29 55.500 54.987 0.513 1
1 276 . 6 1 1 A 34 34 TYR CB C 29 38.140 40.764 -2.624 1
1 277 . 6 1 1 A 34 34 TYR N N 29 123.420 125.201 -1.781 1
1 278 . 6 1 1 A 35 35 TYR H H 30 8.920 8.429 0.491 1
1 279 . 6 1 1 A 35 35 TYR HA H 30 5.330 5.772 -0.442 1
1 286 . 6 1 1 A 35 35 TYR CA C 30 57.550 56.729 0.821 1
1 287 . 6 1 1 A 35 35 TYR CB C 30 41.270 42.690 -1.420 1
1 288 . 6 1 1 A 35 35 TYR N N 30 116.920 116.245 0.675 1
1 289 . 6 1 1 A 36 36 TRP H H 31 9.580 9.056 0.524 1
1 290 . 6 1 1 A 36 36 TRP HA H 31 5.740 5.534 0.206 1
1 299 . 6 1 1 A 36 36 TRP CA C 31 54.290 55.375 -1.085 1
1 300 . 6 1 1 A 36 36 TRP CB C 31 33.420 32.258 1.162 1
1 301 . 6 1 1 A 36 36 TRP N N 31 126.100 124.790 1.310 1
1 303 . 6 1 1 A 37 37 HIS H H 32 8.950 9.159 -0.209 1
1 304 . 6 1 1 A 37 37 HIS HA H 32 3.940 4.217 -0.277 1
1 309 . 6 1 1 A 37 37 HIS CA C 32 55.050 54.360 0.690 1
1 310 . 6 1 1 A 37 37 HIS CB C 32 29.110 28.908 0.202 1
1 311 . 6 1 1 A 37 37 HIS N N 32 130.940 127.455 3.485 1
1 312 . 6 1 1 A 38 38 ILE H H 33 8.130 7.814 0.316 1
1 313 . 6 1 1 A 38 38 ILE HA H 33 2.920 3.067 -0.147 1
1 323 . 6 1 1 A 38 38 ILE CA C 33 65.700 65.906 -0.206 1
1 324 . 6 1 1 A 38 38 ILE CB C 33 35.350 34.676 0.674 1
1 328 . 6 1 1 A 38 38 ILE N N 33 127.650 125.670 1.980 1
1 329 . 6 1 1 A 39 39 PRO HA H 34 4.120 4.078 0.042 1
1 336 . 6 1 1 A 39 39 PRO CA C 34 65.700 66.226 -0.526 1
1 337 . 6 1 1 A 39 39 PRO CB C 34 32.150 30.612 1.538 1
1 340 . 6 1 1 A 40 40 THR H H 35 6.470 7.049 -0.579 1
1 341 . 6 1 1 A 40 40 THR HA H 35 4.510 4.124 0.386 1
1 346 . 6 1 1 A 40 40 THR CA C 35 61.240 62.366 -1.126 1
1 347 . 6 1 1 A 40 40 THR CB C 35 72.280 70.033 2.247 1
1 349 . 6 1 1 A 40 40 THR N N 35 100.770 109.035 -8.265 1
1 350 . 6 1 1 A 41 41 GLY H H 36 8.530 7.735 0.795 1
1 351 . 6 1 1 A 41 41 GLY HA2 H 36 3.660 4.106 -0.446 1
1 352 . 6 1 1 A 41 41 GLY HA3 H 36 4.210 4.252 -0.042 1
1 353 . 6 1 1 A 41 41 GLY CA C 36 46.220 45.127 1.093 1
1 354 . 6 1 1 A 41 41 GLY N N 36 113.280 111.153 2.127 1
1 355 . 6 1 1 A 42 42 THR H H 37 7.460 7.581 -0.121 1
1 356 . 6 1 1 A 42 42 THR HA H 37 4.260 4.488 -0.228 1
1 361 . 6 1 1 A 42 42 THR CA C 37 63.660 62.739 0.921 1
1 362 . 6 1 1 A 42 42 THR CB C 37 69.960 69.727 0.233 1
1 364 . 6 1 1 A 42 42 THR N N 37 115.720 117.156 -1.436 1
1 365 . 6 1 1 A 43 43 THR H H 38 8.420 8.965 -0.545 1
1 366 . 6 1 1 A 43 43 THR HA H 38 5.920 5.695 0.225 1
1 371 . 6 1 1 A 43 43 THR CA C 38 59.560 59.416 0.144 1
1 372 . 6 1 1 A 43 43 THR CB C 38 72.140 71.709 0.431 1
1 374 . 6 1 1 A 43 43 THR N N 38 116.010 114.189 1.821 1
1 375 . 6 1 1 A 44 44 GLN H H 39 9.180 8.387 0.793 1
1 376 . 6 1 1 A 44 44 GLN HA H 39 4.930 4.896 0.034 1
1 383 . 6 1 1 A 44 44 GLN CA C 39 54.890 53.751 1.139 1
1 384 . 6 1 1 A 44 44 GLN CB C 39 32.550 32.923 -0.373 1
1 386 . 6 1 1 A 44 44 GLN N N 39 116.860 118.305 -1.445 1
1 388 . 6 1 1 A 45 45 TRP H H 40 8.890 8.831 0.059 1
1 389 . 6 1 1 A 45 45 TRP HA H 40 4.820 5.222 -0.402 1
1 397 . 6 1 1 A 45 45 TRP CA C 40 59.410 57.356 2.054 1
1 398 . 6 1 1 A 45 45 TRP CB C 40 30.270 31.235 -0.965 1
1 399 . 6 1 1 A 45 45 TRP N N 40 121.200 119.461 1.739 1
1 400 . 6 1 1 A 46 46 GLU H H 41 7.970 7.989 -0.019 1
1 401 . 6 1 1 A 46 46 GLU HA H 41 4.720 5.013 -0.293 1
1 406 . 6 1 1 A 46 46 GLU CA C 41 54.070 53.518 0.552 1
1 407 . 6 1 1 A 46 46 GLU CB C 41 29.640 31.660 -2.020 1
1 409 . 6 1 1 A 46 46 GLU N N 41 119.500 119.536 -0.036 1
1 410 . 6 1 1 A 47 47 PRO HA H 42 2.900 4.185 -1.285 1
1 417 . 6 1 1 A 47 47 PRO CA C 42 60.700 61.791 -1.091 1
1 418 . 6 1 1 A 47 47 PRO CB C 42 29.760 31.611 -1.851 1
1 421 . 6 1 1 A 48 48 PRO HA H 43 3.770 4.255 -0.485 1
1 428 . 6 1 1 A 48 48 PRO CA C 43 61.890 62.321 -0.431 1
1 429 . 6 1 1 A 48 48 PRO CB C 43 30.880 29.116 1.764 1
1 432 . 6 1 1 A 49 49 GLY H H 44 8.020 7.964 0.056 1
1 433 . 6 1 1 A 49 49 GLY HA2 H 44 3.770 3.857 -0.087 1
1 434 . 6 1 1 A 49 49 GLY HA3 H 44 3.770 3.870 -0.100 1
1 435 . 6 1 1 A 49 49 GLY CA C 44 44.770 45.677 -0.907 1
1 436 . 6 1 1 A 49 49 GLY N N 44 107.850 111.668 -3.818 1
1 437 . 6 1 1 A 50 50 ARG H H 45 7.980 7.900 0.080 1
1 438 . 6 1 1 A 50 50 ARG HA H 45 4.280 4.130 0.150 1
1 445 . 6 1 1 A 50 50 ARG CA C 45 55.730 56.354 -0.624 1
1 446 . 6 1 1 A 50 50 ARG CB C 45 31.150 30.739 0.411 1
1 449 . 6 1 1 A 50 50 ARG N N 45 119.870 123.383 -3.513 1
1 450 . 6 1 1 A 51 51 ALA H H 46 8.340 8.053 0.287 1
1 451 . 6 1 1 A 51 51 ALA HA H 46 4.330 3.913 0.417 1
1 455 . 6 1 1 A 51 51 ALA CA C 46 52.290 54.203 -1.913 1
1 456 . 6 1 1 A 51 51 ALA CB C 46 19.450 17.868 1.582 1
1 457 . 6 1 1 A 51 51 ALA N N 46 125.360 121.700 3.660 1
1 458 . 6 1 1 A 52 52 SER H H 47 8.360 8.493 -0.133 1
1 459 . 6 1 1 A 52 52 SER HA H 47 4.730 4.926 -0.196 1
1 462 . 6 1 1 A 52 52 SER CA C 47 56.520 55.995 0.525 1
1 463 . 6 1 1 A 52 52 SER CB C 47 63.460 65.777 -2.317 1
1 464 . 6 1 1 A 52 52 SER N N 47 117.200 111.793 5.407 1
1 465 . 6 1 1 A 53 53 PRO HA H 48 4.490 4.692 -0.202 1
1 472 . 6 1 1 A 53 53 PRO CA C 48 63.450 62.334 1.116 1
1 473 . 6 1 1 A 53 53 PRO CB C 48 32.280 33.560 -1.280 1
1 476 . 6 1 1 A 54 54 SER H H 49 8.420 8.566 -0.146 1
1 477 . 6 1 1 A 54 54 SER HA H 49 4.440 4.738 -0.298 1
1 480 . 6 1 1 A 54 54 SER CA C 49 58.490 56.849 1.641 1
1 481 . 6 1 1 A 54 54 SER CB C 49 63.990 63.863 0.127 1
1 482 . 6 1 1 A 54 54 SER N N 49 116.680 116.529 0.151 1
1 8 . 7 1 1 A 7 7 SER H H 2 8.110 8.625 -0.515 1
1 9 . 7 1 1 A 7 7 SER HA H 2 4.360 4.703 -0.343 1
1 12 . 7 1 1 A 7 7 SER CA C 2 58.690 56.919 1.771 1
1 13 . 7 1 1 A 7 7 SER CB C 2 63.740 62.266 1.474 1
1 14 . 7 1 1 A 7 7 SER N N 2 115.530 116.360 -0.830 1
1 15 . 7 1 1 A 8 8 PHE H H 3 8.100 8.564 -0.464 1
1 16 . 7 1 1 A 8 8 PHE HA H 3 4.580 4.676 -0.096 1
1 21 . 7 1 1 A 8 8 PHE CA C 3 57.940 60.400 -2.460 1
1 22 . 7 1 1 A 8 8 PHE CB C 3 39.440 40.469 -1.029 1
1 23 . 7 1 1 A 8 8 PHE N N 3 121.690 125.482 -3.792 1
1 24 . 7 1 1 A 9 9 TRP H H 4 7.960 8.270 -0.310 1
1 25 . 7 1 1 A 9 9 TRP HA H 4 4.580 4.676 -0.096 1
1 33 . 7 1 1 A 9 9 TRP CA C 4 57.320 57.552 -0.232 1
1 34 . 7 1 1 A 9 9 TRP CB C 4 29.740 29.401 0.339 1
1 35 . 7 1 1 A 9 9 TRP N N 4 122.750 119.026 3.724 1
1 36 . 7 1 1 A 10 10 ASN H H 5 7.960 8.411 -0.451 1
1 37 . 7 1 1 A 10 10 ASN HA H 5 4.770 4.678 0.092 1
1 42 . 7 1 1 A 10 10 ASN CA C 5 50.520 50.326 0.194 1
1 43 . 7 1 1 A 10 10 ASN CB C 5 39.570 39.222 0.348 1
1 44 . 7 1 1 A 10 10 ASN N N 5 122.600 127.048 -4.448 1
1 46 . 7 1 1 A 11 11 PRO HA H 6 4.090 4.405 -0.315 1
1 53 . 7 1 1 A 11 11 PRO CA C 6 63.660 64.304 -0.644 1
1 54 . 7 1 1 A 11 11 PRO CB C 6 32.160 32.005 0.155 1
1 57 . 7 1 1 A 12 12 ASN H H 7 8.100 8.305 -0.205 1
1 58 . 7 1 1 A 12 12 ASN HA H 7 4.640 4.825 -0.185 1
1 63 . 7 1 1 A 12 12 ASN CA C 7 53.330 52.003 1.327 1
1 64 . 7 1 1 A 12 12 ASN CB C 7 38.910 36.366 2.544 1
1 65 . 7 1 1 A 12 12 ASN N N 7 116.820 115.136 1.684 1
1 67 . 7 1 1 A 13 13 ALA H H 8 7.760 7.291 0.469 1
1 68 . 7 1 1 A 13 13 ALA HA H 8 4.190 4.216 -0.026 1
1 72 . 7 1 1 A 13 13 ALA CA C 8 52.840 50.831 2.009 1
1 73 . 7 1 1 A 13 13 ALA CB C 8 19.240 20.334 -1.094 1
1 74 . 7 1 1 A 13 13 ALA N N 8 123.280 122.101 1.179 1
1 75 . 7 1 1 A 14 14 PHE H H 9 7.980 8.034 -0.054 1
1 76 . 7 1 1 A 14 14 PHE HA H 9 4.680 4.417 0.263 1
1 81 . 7 1 1 A 14 14 PHE CA C 9 57.310 59.691 -2.381 1
1 82 . 7 1 1 A 14 14 PHE CB C 9 39.790 39.441 0.349 1
1 83 . 7 1 1 A 14 14 PHE N N 9 118.120 117.977 0.143 1
1 84 . 7 1 1 A 15 15 GLU H H 10 8.340 8.598 -0.258 1
1 85 . 7 1 1 A 15 15 GLU HA H 10 4.410 4.444 -0.034 1
1 90 . 7 1 1 A 15 15 GLU CA C 10 56.550 56.904 -0.354 1
1 91 . 7 1 1 A 15 15 GLU CB C 10 30.750 30.305 0.445 1
1 93 . 7 1 1 A 15 15 GLU N N 10 122.120 123.862 -1.742 1
1 94 . 7 1 1 A 16 16 THR H H 11 8.230 8.562 -0.332 1
1 95 . 7 1 1 A 16 16 THR HA H 11 4.380 4.833 -0.453 1
1 100 . 7 1 1 A 16 16 THR CA C 11 61.900 61.390 0.510 1
1 101 . 7 1 1 A 16 16 THR CB C 11 69.890 69.804 0.086 1
1 103 . 7 1 1 A 16 16 THR N N 11 114.830 117.483 -2.653 1
1 104 . 7 1 1 A 17 17 ASP H H 12 8.480 8.471 0.009 1
1 105 . 7 1 1 A 17 17 ASP HA H 12 4.710 4.684 0.026 1
1 108 . 7 1 1 A 17 17 ASP CA C 12 54.650 53.584 1.066 1
1 109 . 7 1 1 A 17 17 ASP CB C 12 41.480 42.499 -1.019 1
1 110 . 7 1 1 A 17 17 ASP N N 12 122.650 122.688 -0.038 1
1 111 . 7 1 1 A 18 18 SER H H 13 8.330 8.530 -0.200 1
1 112 . 7 1 1 A 18 18 SER HA H 13 4.430 4.143 0.287 1
1 115 . 7 1 1 A 18 18 SER CA C 13 59.130 61.382 -2.252 1
1 116 . 7 1 1 A 18 18 SER CB C 13 63.900 63.054 0.846 1
1 117 . 7 1 1 A 18 18 SER N N 13 116.280 116.573 -0.293 1
1 118 . 7 1 1 A 19 19 ASP H H 14 8.560 8.242 0.318 1
1 119 . 7 1 1 A 19 19 ASP HA H 14 4.630 4.815 -0.185 1
1 122 . 7 1 1 A 19 19 ASP CA C 14 54.300 53.306 0.994 1
1 123 . 7 1 1 A 19 19 ASP CB C 14 40.820 41.489 -0.669 1
1 124 . 7 1 1 A 19 19 ASP N N 14 121.330 118.734 2.596 1
1 125 . 7 1 1 A 20 20 LEU H H 15 7.990 7.564 0.426 1
1 126 . 7 1 1 A 20 20 LEU HA H 15 4.630 4.542 0.088 1
1 136 . 7 1 1 A 20 20 LEU CA C 15 52.640 52.457 0.183 1
1 137 . 7 1 1 A 20 20 LEU CB C 15 42.530 41.705 0.825 1
1 141 . 7 1 1 A 20 20 LEU N N 15 121.650 122.152 -0.502 1
1 142 . 7 1 1 A 21 21 PRO HA H 16 4.570 4.448 0.122 1
1 149 . 7 1 1 A 21 21 PRO CA C 16 62.080 62.154 -0.074 1
1 150 . 7 1 1 A 21 21 PRO CB C 16 31.760 33.066 -1.306 1
1 153 . 7 1 1 A 22 22 ALA H H 17 8.410 7.954 0.456 1
1 154 . 7 1 1 A 22 22 ALA HA H 17 4.210 3.707 0.503 1
1 158 . 7 1 1 A 22 22 ALA CA C 17 53.950 52.618 1.332 1
1 159 . 7 1 1 A 22 22 ALA CB C 17 18.650 18.161 0.489 1
1 160 . 7 1 1 A 22 22 ALA N N 17 122.940 123.111 -0.171 1
1 161 . 7 1 1 A 23 23 GLY H H 18 8.710 8.818 -0.108 1
1 162 . 7 1 1 A 23 23 GLY HA2 H 18 3.460 3.846 -0.386 1
1 163 . 7 1 1 A 23 23 GLY HA3 H 18 3.890 3.884 0.006 1
1 164 . 7 1 1 A 23 23 GLY CA C 18 45.110 45.126 -0.016 1
1 165 . 7 1 1 A 23 23 GLY N N 18 110.320 109.764 0.556 1
1 166 . 7 1 1 A 24 24 TRP H H 19 7.810 7.753 0.057 1
1 167 . 7 1 1 A 24 24 TRP HA H 19 5.520 4.462 1.058 1
1 175 . 7 1 1 A 24 24 TRP CA C 19 57.020 57.770 -0.750 1
1 176 . 7 1 1 A 24 24 TRP CB C 19 32.270 30.144 2.126 1
1 177 . 7 1 1 A 24 24 TRP N N 19 118.390 120.820 -2.430 1
1 178 . 7 1 1 A 25 25 MET H H 20 9.570 9.030 0.540 1
1 179 . 7 1 1 A 25 25 MET HA H 20 4.940 5.341 -0.401 1
1 184 . 7 1 1 A 25 25 MET CA C 20 54.390 54.187 0.203 1
1 185 . 7 1 1 A 25 25 MET CB C 20 37.220 36.854 0.366 1
1 187 . 7 1 1 A 25 25 MET N N 20 119.380 121.030 -1.650 1
1 188 . 7 1 1 A 26 26 ARG H H 21 8.880 8.813 0.067 1
1 189 . 7 1 1 A 26 26 ARG HA H 21 4.490 4.909 -0.419 1
1 196 . 7 1 1 A 26 26 ARG CA C 21 55.570 54.648 0.922 1
1 197 . 7 1 1 A 26 26 ARG CB C 21 31.880 32.540 -0.660 1
1 200 . 7 1 1 A 26 26 ARG N N 21 124.980 123.333 1.647 1
1 201 . 7 1 1 A 27 27 VAL H H 22 8.860 8.172 0.688 1
1 202 . 7 1 1 A 27 27 VAL HA H 22 3.960 4.626 -0.666 1
1 210 . 7 1 1 A 27 27 VAL CA C 22 61.320 60.273 1.047 1
1 211 . 7 1 1 A 27 27 VAL CB C 22 33.470 33.959 -0.489 1
1 214 . 7 1 1 A 27 27 VAL N N 22 128.370 126.508 1.862 1
1 215 . 7 1 1 A 28 28 GLN H H 23 8.230 8.895 -0.665 1
1 216 . 7 1 1 A 28 28 GLN HA H 23 4.980 5.051 -0.071 1
1 223 . 7 1 1 A 28 28 GLN CA C 23 54.520 54.659 -0.139 1
1 224 . 7 1 1 A 28 28 GLN CB C 23 30.560 29.242 1.318 1
1 226 . 7 1 1 A 28 28 GLN N N 23 123.980 121.538 2.442 1
1 228 . 7 1 1 A 29 29 ASP H H 24 8.710 8.412 0.298 1
1 229 . 7 1 1 A 29 29 ASP HA H 24 4.900 4.864 0.036 1
1 232 . 7 1 1 A 29 29 ASP CA C 24 53.040 54.270 -1.230 1
1 233 . 7 1 1 A 29 29 ASP CB C 24 42.730 42.056 0.674 1
1 234 . 7 1 1 A 29 29 ASP N N 24 126.160 126.308 -0.148 1
1 235 . 7 1 1 A 30 30 THR H H 25 8.250 8.921 -0.671 1
1 236 . 7 1 1 A 30 30 THR HA H 25 4.120 3.952 0.168 1
1 241 . 7 1 1 A 30 30 THR CA C 25 65.160 65.054 0.106 1
1 242 . 7 1 1 A 30 30 THR CB C 25 68.870 68.356 0.514 1
1 244 . 7 1 1 A 30 30 THR N N 25 112.460 118.354 -5.894 1
1 245 . 7 1 1 A 31 31 SER H H 26 8.940 7.980 0.960 1
1 246 . 7 1 1 A 31 31 SER HA H 26 4.560 4.474 0.086 1
1 249 . 7 1 1 A 31 31 SER CA C 26 59.690 59.572 0.118 1
1 250 . 7 1 1 A 31 31 SER CB C 26 64.170 64.193 -0.023 1
1 251 . 7 1 1 A 31 31 SER N N 26 117.280 114.608 2.672 1
1 252 . 7 1 1 A 32 32 GLY H H 27 7.890 7.395 0.495 1
1 253 . 7 1 1 A 32 32 GLY HA2 H 27 3.950 4.182 -0.232 1
1 254 . 7 1 1 A 32 32 GLY HA3 H 27 4.760 4.279 0.481 1
1 255 . 7 1 1 A 32 32 GLY CA C 27 44.820 45.547 -0.727 1
1 256 . 7 1 1 A 32 32 GLY N N 27 110.950 107.864 3.086 1
1 257 . 7 1 1 A 33 33 THR H H 28 8.460 8.674 -0.214 1
1 258 . 7 1 1 A 33 33 THR HA H 28 5.230 5.256 -0.026 1
1 263 . 7 1 1 A 33 33 THR CA C 28 61.750 63.131 -1.381 1
1 264 . 7 1 1 A 33 33 THR CB C 28 70.530 69.174 1.356 1
1 266 . 7 1 1 A 33 33 THR N N 28 117.690 116.407 1.283 1
1 267 . 7 1 1 A 34 34 TYR H H 29 8.700 8.526 0.174 1
1 268 . 7 1 1 A 34 34 TYR HA H 29 4.670 5.038 -0.368 1
1 275 . 7 1 1 A 34 34 TYR CA C 29 55.500 55.137 0.363 1
1 276 . 7 1 1 A 34 34 TYR CB C 29 38.140 40.195 -2.055 1
1 277 . 7 1 1 A 34 34 TYR N N 29 123.420 125.030 -1.610 1
1 278 . 7 1 1 A 35 35 TYR H H 30 8.920 8.313 0.607 1
1 279 . 7 1 1 A 35 35 TYR HA H 30 5.330 5.700 -0.370 1
1 286 . 7 1 1 A 35 35 TYR CA C 30 57.550 56.716 0.834 1
1 287 . 7 1 1 A 35 35 TYR CB C 30 41.270 42.913 -1.643 1
1 288 . 7 1 1 A 35 35 TYR N N 30 116.920 116.280 0.640 1
1 289 . 7 1 1 A 36 36 TRP H H 31 9.580 8.947 0.633 1
1 290 . 7 1 1 A 36 36 TRP HA H 31 5.740 5.635 0.105 1
1 299 . 7 1 1 A 36 36 TRP CA C 31 54.290 55.297 -1.007 1
1 300 . 7 1 1 A 36 36 TRP CB C 31 33.420 32.191 1.229 1
1 301 . 7 1 1 A 36 36 TRP N N 31 126.100 124.294 1.806 1
1 303 . 7 1 1 A 37 37 HIS H H 32 8.950 9.104 -0.154 1
1 304 . 7 1 1 A 37 37 HIS HA H 32 3.940 3.792 0.148 1
1 309 . 7 1 1 A 37 37 HIS CA C 32 55.050 54.234 0.816 1
1 310 . 7 1 1 A 37 37 HIS CB C 32 29.110 28.839 0.271 1
1 311 . 7 1 1 A 37 37 HIS N N 32 130.940 127.370 3.570 1
1 312 . 7 1 1 A 38 38 ILE H H 33 8.130 7.729 0.401 1
1 313 . 7 1 1 A 38 38 ILE HA H 33 2.920 3.196 -0.276 1
1 323 . 7 1 1 A 38 38 ILE CA C 33 65.700 65.924 -0.224 1
1 324 . 7 1 1 A 38 38 ILE CB C 33 35.350 34.652 0.698 1
1 328 . 7 1 1 A 38 38 ILE N N 33 127.650 125.766 1.884 1
1 329 . 7 1 1 A 39 39 PRO HA H 34 4.120 4.278 -0.158 1
1 336 . 7 1 1 A 39 39 PRO CA C 34 65.700 64.934 0.766 1
1 337 . 7 1 1 A 39 39 PRO CB C 34 32.150 31.400 0.750 1
1 340 . 7 1 1 A 40 40 THR H H 35 6.470 7.611 -1.141 1
1 341 . 7 1 1 A 40 40 THR HA H 35 4.510 4.149 0.361 1
1 346 . 7 1 1 A 40 40 THR CA C 35 61.240 63.196 -1.956 1
1 347 . 7 1 1 A 40 40 THR CB C 35 72.280 69.418 2.862 1
1 349 . 7 1 1 A 40 40 THR N N 35 100.770 109.237 -8.467 1
1 350 . 7 1 1 A 41 41 GLY H H 36 8.530 7.679 0.851 1
1 351 . 7 1 1 A 41 41 GLY HA2 H 36 3.660 4.044 -0.384 1
1 352 . 7 1 1 A 41 41 GLY HA3 H 36 4.210 4.160 0.050 1
1 353 . 7 1 1 A 41 41 GLY CA C 36 46.220 45.169 1.051 1
1 354 . 7 1 1 A 41 41 GLY N N 36 113.280 108.623 4.657 1
1 355 . 7 1 1 A 42 42 THR H H 37 7.460 7.725 -0.265 1
1 356 . 7 1 1 A 42 42 THR HA H 37 4.260 4.540 -0.280 1
1 361 . 7 1 1 A 42 42 THR CA C 37 63.660 62.247 1.413 1
1 362 . 7 1 1 A 42 42 THR CB C 37 69.960 69.879 0.081 1
1 364 . 7 1 1 A 42 42 THR N N 37 115.720 115.640 0.080 1
1 365 . 7 1 1 A 43 43 THR H H 38 8.420 8.950 -0.530 1
1 366 . 7 1 1 A 43 43 THR HA H 38 5.920 5.571 0.349 1
1 371 . 7 1 1 A 43 43 THR CA C 38 59.560 59.527 0.033 1
1 372 . 7 1 1 A 43 43 THR CB C 38 72.140 71.864 0.276 1
1 374 . 7 1 1 A 43 43 THR N N 38 116.010 113.562 2.448 1
1 375 . 7 1 1 A 44 44 GLN H H 39 9.180 8.599 0.581 1
1 376 . 7 1 1 A 44 44 GLN HA H 39 4.930 4.961 -0.031 1
1 383 . 7 1 1 A 44 44 GLN CA C 39 54.890 53.910 0.980 1
1 384 . 7 1 1 A 44 44 GLN CB C 39 32.550 32.721 -0.171 1
1 386 . 7 1 1 A 44 44 GLN N N 39 116.860 118.074 -1.214 1
1 388 . 7 1 1 A 45 45 TRP H H 40 8.890 8.570 0.320 1
1 389 . 7 1 1 A 45 45 TRP HA H 40 4.820 5.150 -0.330 1
1 397 . 7 1 1 A 45 45 TRP CA C 40 59.410 58.390 1.020 1
1 398 . 7 1 1 A 45 45 TRP CB C 40 30.270 31.978 -1.708 1
1 399 . 7 1 1 A 45 45 TRP N N 40 121.200 120.160 1.040 1
1 400 . 7 1 1 A 46 46 GLU H H 41 7.970 8.153 -0.183 1
1 401 . 7 1 1 A 46 46 GLU HA H 41 4.720 4.825 -0.105 1
1 406 . 7 1 1 A 46 46 GLU CA C 41 54.070 54.683 -0.613 1
1 407 . 7 1 1 A 46 46 GLU CB C 41 29.640 28.969 0.671 1
1 409 . 7 1 1 A 46 46 GLU N N 41 119.500 118.638 0.862 1
1 410 . 7 1 1 A 47 47 PRO HA H 42 2.900 3.747 -0.847 1
1 417 . 7 1 1 A 47 47 PRO CA C 42 60.700 61.802 -1.102 1
1 418 . 7 1 1 A 47 47 PRO CB C 42 29.760 31.502 -1.742 1
1 421 . 7 1 1 A 48 48 PRO HA H 43 3.770 3.990 -0.220 1
1 428 . 7 1 1 A 48 48 PRO CA C 43 61.890 64.683 -2.793 1
1 429 . 7 1 1 A 48 48 PRO CB C 43 30.880 31.247 -0.367 1
1 432 . 7 1 1 A 49 49 GLY H H 44 8.020 7.610 0.410 1
1 433 . 7 1 1 A 49 49 GLY HA2 H 44 3.770 3.831 -0.061 1
1 434 . 7 1 1 A 49 49 GLY HA3 H 44 3.770 3.838 -0.068 1
1 435 . 7 1 1 A 49 49 GLY CA C 44 44.770 44.694 0.076 1
1 436 . 7 1 1 A 49 49 GLY N N 44 107.850 107.313 0.537 1
1 437 . 7 1 1 A 50 50 ARG H H 45 7.980 8.464 -0.484 1
1 438 . 7 1 1 A 50 50 ARG HA H 45 4.280 4.338 -0.058 1
1 445 . 7 1 1 A 50 50 ARG CA C 45 55.730 56.886 -1.156 1
1 446 . 7 1 1 A 50 50 ARG CB C 45 31.150 30.716 0.434 1
1 449 . 7 1 1 A 50 50 ARG N N 45 119.870 120.979 -1.109 1
1 450 . 7 1 1 A 51 51 ALA H H 46 8.340 8.465 -0.125 1
1 451 . 7 1 1 A 51 51 ALA HA H 46 4.330 4.612 -0.282 1
1 455 . 7 1 1 A 51 51 ALA CA C 46 52.290 50.753 1.537 1
1 456 . 7 1 1 A 51 51 ALA CB C 46 19.450 22.369 -2.919 1
1 457 . 7 1 1 A 51 51 ALA N N 46 125.360 124.746 0.614 1
1 458 . 7 1 1 A 52 52 SER H H 47 8.360 8.649 -0.289 1
1 459 . 7 1 1 A 52 52 SER HA H 47 4.730 4.488 0.242 1
1 462 . 7 1 1 A 52 52 SER CA C 47 56.520 58.530 -2.010 1
1 463 . 7 1 1 A 52 52 SER CB C 47 63.460 62.090 1.370 1
1 464 . 7 1 1 A 52 52 SER N N 47 117.200 113.345 3.855 1
1 465 . 7 1 1 A 53 53 PRO HA H 48 4.490 4.384 0.106 1
1 472 . 7 1 1 A 53 53 PRO CA C 48 63.450 62.887 0.563 1
1 473 . 7 1 1 A 53 53 PRO CB C 48 32.280 32.379 -0.099 1
1 476 . 7 1 1 A 54 54 SER H H 49 8.420 8.581 -0.161 1
1 477 . 7 1 1 A 54 54 SER HA H 49 4.440 3.921 0.519 1
1 480 . 7 1 1 A 54 54 SER CA C 49 58.490 58.761 -0.271 1
1 481 . 7 1 1 A 54 54 SER CB C 49 63.990 61.757 2.233 1
1 482 . 7 1 1 A 54 54 SER N N 49 116.680 112.156 4.524 1
1 8 . 8 1 1 A 7 7 SER H H 2 8.110 7.686 0.424 1
1 9 . 8 1 1 A 7 7 SER HA H 2 4.360 4.792 -0.432 1
1 12 . 8 1 1 A 7 7 SER CA C 2 58.690 57.186 1.504 1
1 13 . 8 1 1 A 7 7 SER CB C 2 63.740 65.197 -1.457 1
1 14 . 8 1 1 A 7 7 SER N N 2 115.530 112.189 3.341 1
1 15 . 8 1 1 A 8 8 PHE H H 3 8.100 9.070 -0.970 1
1 16 . 8 1 1 A 8 8 PHE HA H 3 4.580 4.354 0.226 1
1 21 . 8 1 1 A 8 8 PHE CA C 3 57.940 59.906 -1.966 1
1 22 . 8 1 1 A 8 8 PHE CB C 3 39.440 39.930 -0.490 1
1 23 . 8 1 1 A 8 8 PHE N N 3 121.690 126.112 -4.422 1
1 24 . 8 1 1 A 9 9 TRP H H 4 7.960 8.103 -0.143 1
1 25 . 8 1 1 A 9 9 TRP HA H 4 4.580 4.503 0.077 1
1 33 . 8 1 1 A 9 9 TRP CA C 4 57.320 60.314 -2.994 1
1 34 . 8 1 1 A 9 9 TRP CB C 4 29.740 29.590 0.150 1
1 35 . 8 1 1 A 9 9 TRP N N 4 122.750 118.627 4.123 1
1 36 . 8 1 1 A 10 10 ASN H H 5 7.960 8.222 -0.262 1
1 37 . 8 1 1 A 10 10 ASN HA H 5 4.770 5.196 -0.426 1
1 42 . 8 1 1 A 10 10 ASN CA C 5 50.520 50.404 0.116 1
1 43 . 8 1 1 A 10 10 ASN CB C 5 39.570 39.448 0.122 1
1 44 . 8 1 1 A 10 10 ASN N N 5 122.600 116.194 6.406 1
1 46 . 8 1 1 A 11 11 PRO HA H 6 4.090 4.363 -0.273 1
1 53 . 8 1 1 A 11 11 PRO CA C 6 63.660 63.987 -0.327 1
1 54 . 8 1 1 A 11 11 PRO CB C 6 32.160 32.020 0.140 1
1 57 . 8 1 1 A 12 12 ASN H H 7 8.100 8.043 0.057 1
1 58 . 8 1 1 A 12 12 ASN HA H 7 4.640 4.917 -0.277 1
1 63 . 8 1 1 A 12 12 ASN CA C 7 53.330 54.074 -0.744 1
1 64 . 8 1 1 A 12 12 ASN CB C 7 38.910 40.395 -1.485 1
1 65 . 8 1 1 A 12 12 ASN N N 7 116.820 114.412 2.408 1
1 67 . 8 1 1 A 13 13 ALA H H 8 7.760 7.761 -0.001 1
1 68 . 8 1 1 A 13 13 ALA HA H 8 4.190 3.875 0.315 1
1 72 . 8 1 1 A 13 13 ALA CA C 8 52.840 52.790 0.050 1
1 73 . 8 1 1 A 13 13 ALA CB C 8 19.240 17.146 2.094 1
1 74 . 8 1 1 A 13 13 ALA N N 8 123.280 120.801 2.479 1
1 75 . 8 1 1 A 14 14 PHE H H 9 7.980 7.122 0.858 1
1 76 . 8 1 1 A 14 14 PHE HA H 9 4.680 4.400 0.280 1
1 81 . 8 1 1 A 14 14 PHE CA C 9 57.310 57.663 -0.353 1
1 82 . 8 1 1 A 14 14 PHE CB C 9 39.790 38.177 1.613 1
1 83 . 8 1 1 A 14 14 PHE N N 9 118.120 113.867 4.253 1
1 84 . 8 1 1 A 15 15 GLU H H 10 8.340 8.221 0.119 1
1 85 . 8 1 1 A 15 15 GLU HA H 10 4.410 4.749 -0.339 1
1 90 . 8 1 1 A 15 15 GLU CA C 10 56.550 54.435 2.115 1
1 91 . 8 1 1 A 15 15 GLU CB C 10 30.750 30.528 0.222 1
1 93 . 8 1 1 A 15 15 GLU N N 10 122.120 121.677 0.443 1
1 94 . 8 1 1 A 16 16 THR H H 11 8.230 8.517 -0.287 1
1 95 . 8 1 1 A 16 16 THR HA H 11 4.380 4.601 -0.221 1
1 100 . 8 1 1 A 16 16 THR CA C 11 61.900 61.164 0.736 1
1 101 . 8 1 1 A 16 16 THR CB C 11 69.890 69.791 0.099 1
1 103 . 8 1 1 A 16 16 THR N N 11 114.830 114.765 0.065 1
1 104 . 8 1 1 A 17 17 ASP H H 12 8.480 8.450 0.030 1
1 105 . 8 1 1 A 17 17 ASP HA H 12 4.710 4.543 0.167 1
1 108 . 8 1 1 A 17 17 ASP CA C 12 54.650 53.376 1.274 1
1 109 . 8 1 1 A 17 17 ASP CB C 12 41.480 41.554 -0.074 1
1 110 . 8 1 1 A 17 17 ASP N N 12 122.650 123.275 -0.625 1
1 111 . 8 1 1 A 18 18 SER H H 13 8.330 8.484 -0.154 1
1 112 . 8 1 1 A 18 18 SER HA H 13 4.430 4.632 -0.202 1
1 115 . 8 1 1 A 18 18 SER CA C 13 59.130 57.799 1.331 1
1 116 . 8 1 1 A 18 18 SER CB C 13 63.900 62.725 1.175 1
1 117 . 8 1 1 A 18 18 SER N N 13 116.280 113.597 2.683 1
1 118 . 8 1 1 A 19 19 ASP H H 14 8.560 8.099 0.461 1
1 119 . 8 1 1 A 19 19 ASP HA H 14 4.630 4.297 0.333 1
1 122 . 8 1 1 A 19 19 ASP CA C 14 54.300 54.856 -0.556 1
1 123 . 8 1 1 A 19 19 ASP CB C 14 40.820 39.317 1.503 1
1 124 . 8 1 1 A 19 19 ASP N N 14 121.330 119.476 1.854 1
1 125 . 8 1 1 A 20 20 LEU H H 15 7.990 7.965 0.025 1
1 126 . 8 1 1 A 20 20 LEU HA H 15 4.630 4.448 0.182 1
1 136 . 8 1 1 A 20 20 LEU CA C 15 52.640 53.447 -0.807 1
1 137 . 8 1 1 A 20 20 LEU CB C 15 42.530 41.001 1.529 1
1 141 . 8 1 1 A 20 20 LEU N N 15 121.650 119.424 2.226 1
1 142 . 8 1 1 A 21 21 PRO HA H 16 4.570 4.613 -0.043 1
1 149 . 8 1 1 A 21 21 PRO CA C 16 62.080 62.355 -0.275 1
1 150 . 8 1 1 A 21 21 PRO CB C 16 31.760 33.205 -1.445 1
1 153 . 8 1 1 A 22 22 ALA H H 17 8.410 8.335 0.075 1
1 154 . 8 1 1 A 22 22 ALA HA H 17 4.210 4.344 -0.134 1
1 158 . 8 1 1 A 22 22 ALA CA C 17 53.950 52.852 1.098 1
1 159 . 8 1 1 A 22 22 ALA CB C 17 18.650 19.527 -0.877 1
1 160 . 8 1 1 A 22 22 ALA N N 17 122.940 123.464 -0.524 1
1 161 . 8 1 1 A 23 23 GLY H H 18 8.710 8.692 0.018 1
1 162 . 8 1 1 A 23 23 GLY HA2 H 18 3.460 3.760 -0.300 1
1 163 . 8 1 1 A 23 23 GLY HA3 H 18 3.890 3.786 0.104 1
1 164 . 8 1 1 A 23 23 GLY CA C 18 45.110 45.005 0.105 1
1 165 . 8 1 1 A 23 23 GLY N N 18 110.320 110.515 -0.195 1
1 166 . 8 1 1 A 24 24 TRP H H 19 7.810 7.973 -0.163 1
1 167 . 8 1 1 A 24 24 TRP HA H 19 5.520 5.190 0.330 1
1 175 . 8 1 1 A 24 24 TRP CA C 19 57.020 56.104 0.916 1
1 176 . 8 1 1 A 24 24 TRP CB C 19 32.270 32.988 -0.718 1
1 177 . 8 1 1 A 24 24 TRP N N 19 118.390 120.397 -2.007 1
1 178 . 8 1 1 A 25 25 MET H H 20 9.570 9.151 0.419 1
1 179 . 8 1 1 A 25 25 MET HA H 20 4.940 5.369 -0.429 1
1 184 . 8 1 1 A 25 25 MET CA C 20 54.390 54.112 0.278 1
1 185 . 8 1 1 A 25 25 MET CB C 20 37.220 37.034 0.186 1
1 187 . 8 1 1 A 25 25 MET N N 20 119.380 121.078 -1.698 1
1 188 . 8 1 1 A 26 26 ARG H H 21 8.880 8.848 0.032 1
1 189 . 8 1 1 A 26 26 ARG HA H 21 4.490 4.814 -0.324 1
1 196 . 8 1 1 A 26 26 ARG CA C 21 55.570 54.648 0.922 1
1 197 . 8 1 1 A 26 26 ARG CB C 21 31.880 32.455 -0.575 1
1 200 . 8 1 1 A 26 26 ARG N N 21 124.980 123.276 1.704 1
1 201 . 8 1 1 A 27 27 VAL H H 22 8.860 8.155 0.705 1
1 202 . 8 1 1 A 27 27 VAL HA H 22 3.960 4.865 -0.905 1
1 210 . 8 1 1 A 27 27 VAL CA C 22 61.320 60.063 1.257 1
1 211 . 8 1 1 A 27 27 VAL CB C 22 33.470 34.101 -0.631 1
1 214 . 8 1 1 A 27 27 VAL N N 22 128.370 126.320 2.050 1
1 215 . 8 1 1 A 28 28 GLN H H 23 8.230 8.605 -0.375 1
1 216 . 8 1 1 A 28 28 GLN HA H 23 4.980 4.616 0.364 1
1 223 . 8 1 1 A 28 28 GLN CA C 23 54.520 54.311 0.209 1
1 224 . 8 1 1 A 28 28 GLN CB C 23 30.560 29.374 1.186 1
1 226 . 8 1 1 A 28 28 GLN N N 23 123.980 124.328 -0.348 1
1 228 . 8 1 1 A 29 29 ASP H H 24 8.710 8.463 0.247 1
1 229 . 8 1 1 A 29 29 ASP HA H 24 4.900 4.774 0.126 1
1 232 . 8 1 1 A 29 29 ASP CA C 24 53.040 54.293 -1.253 1
1 233 . 8 1 1 A 29 29 ASP CB C 24 42.730 42.084 0.646 1
1 234 . 8 1 1 A 29 29 ASP N N 24 126.160 124.856 1.304 1
1 235 . 8 1 1 A 30 30 THR H H 25 8.250 8.578 -0.328 1
1 236 . 8 1 1 A 30 30 THR HA H 25 4.120 4.120 0.000 1
1 241 . 8 1 1 A 30 30 THR CA C 25 65.160 65.105 0.055 1
1 242 . 8 1 1 A 30 30 THR CB C 25 68.870 68.857 0.013 1
1 244 . 8 1 1 A 30 30 THR N N 25 112.460 119.216 -6.756 1
1 245 . 8 1 1 A 31 31 SER H H 26 8.940 8.016 0.924 1
1 246 . 8 1 1 A 31 31 SER HA H 26 4.560 4.483 0.077 1
1 249 . 8 1 1 A 31 31 SER CA C 26 59.690 59.617 0.073 1
1 250 . 8 1 1 A 31 31 SER CB C 26 64.170 64.261 -0.091 1
1 251 . 8 1 1 A 31 31 SER N N 26 117.280 113.357 3.923 1
1 252 . 8 1 1 A 32 32 GLY H H 27 7.890 7.370 0.520 1
1 253 . 8 1 1 A 32 32 GLY HA2 H 27 3.950 4.125 -0.175 1
1 254 . 8 1 1 A 32 32 GLY HA3 H 27 4.760 4.254 0.506 1
1 255 . 8 1 1 A 32 32 GLY CA C 27 44.820 45.776 -0.956 1
1 256 . 8 1 1 A 32 32 GLY N N 27 110.950 107.749 3.201 1
1 257 . 8 1 1 A 33 33 THR H H 28 8.460 8.146 0.314 1
1 258 . 8 1 1 A 33 33 THR HA H 28 5.230 4.987 0.243 1
1 263 . 8 1 1 A 33 33 THR CA C 28 61.750 62.199 -0.449 1
1 264 . 8 1 1 A 33 33 THR CB C 28 70.530 69.162 1.368 1
1 266 . 8 1 1 A 33 33 THR N N 28 117.690 116.277 1.413 1
1 267 . 8 1 1 A 34 34 TYR H H 29 8.700 8.371 0.329 1
1 268 . 8 1 1 A 34 34 TYR HA H 29 4.670 4.914 -0.244 1
1 275 . 8 1 1 A 34 34 TYR CA C 29 55.500 55.034 0.466 1
1 276 . 8 1 1 A 34 34 TYR CB C 29 38.140 41.324 -3.184 1
1 277 . 8 1 1 A 34 34 TYR N N 29 123.420 124.680 -1.260 1
1 278 . 8 1 1 A 35 35 TYR H H 30 8.920 9.053 -0.133 1
1 279 . 8 1 1 A 35 35 TYR HA H 30 5.330 5.645 -0.315 1
1 286 . 8 1 1 A 35 35 TYR CA C 30 57.550 56.718 0.832 1
1 287 . 8 1 1 A 35 35 TYR CB C 30 41.270 41.400 -0.130 1
1 288 . 8 1 1 A 35 35 TYR N N 30 116.920 116.762 0.158 1
1 289 . 8 1 1 A 36 36 TRP H H 31 9.580 8.922 0.658 1
1 290 . 8 1 1 A 36 36 TRP HA H 31 5.740 5.484 0.256 1
1 299 . 8 1 1 A 36 36 TRP CA C 31 54.290 56.543 -2.253 1
1 300 . 8 1 1 A 36 36 TRP CB C 31 33.420 31.775 1.645 1
1 301 . 8 1 1 A 36 36 TRP N N 31 126.100 126.527 -0.427 1
1 303 . 8 1 1 A 37 37 HIS H H 32 8.950 8.982 -0.032 1
1 304 . 8 1 1 A 37 37 HIS HA H 32 3.940 4.157 -0.217 1
1 309 . 8 1 1 A 37 37 HIS CA C 32 55.050 54.465 0.585 1
1 310 . 8 1 1 A 37 37 HIS CB C 32 29.110 29.458 -0.348 1
1 311 . 8 1 1 A 37 37 HIS N N 32 130.940 127.711 3.229 1
1 312 . 8 1 1 A 38 38 ILE H H 33 8.130 7.700 0.430 1
1 313 . 8 1 1 A 38 38 ILE HA H 33 2.920 2.869 0.051 1
1 323 . 8 1 1 A 38 38 ILE CA C 33 65.700 65.731 -0.031 1
1 324 . 8 1 1 A 38 38 ILE CB C 33 35.350 34.667 0.683 1
1 328 . 8 1 1 A 38 38 ILE N N 33 127.650 126.004 1.646 1
1 329 . 8 1 1 A 39 39 PRO HA H 34 4.120 4.016 0.104 1
1 336 . 8 1 1 A 39 39 PRO CA C 34 65.700 66.120 -0.420 1
1 337 . 8 1 1 A 39 39 PRO CB C 34 32.150 30.533 1.617 1
1 340 . 8 1 1 A 40 40 THR H H 35 6.470 7.049 -0.579 1
1 341 . 8 1 1 A 40 40 THR HA H 35 4.510 4.279 0.231 1
1 346 . 8 1 1 A 40 40 THR CA C 35 61.240 63.662 -2.422 1
1 347 . 8 1 1 A 40 40 THR CB C 35 72.280 69.231 3.049 1
1 349 . 8 1 1 A 40 40 THR N N 35 100.770 110.412 -9.642 1
1 350 . 8 1 1 A 41 41 GLY H H 36 8.530 7.804 0.726 1
1 351 . 8 1 1 A 41 41 GLY HA2 H 36 3.660 4.060 -0.400 1
1 352 . 8 1 1 A 41 41 GLY HA3 H 36 4.210 4.183 0.027 1
1 353 . 8 1 1 A 41 41 GLY CA C 36 46.220 45.170 1.050 1
1 354 . 8 1 1 A 41 41 GLY N N 36 113.280 108.916 4.364 1
1 355 . 8 1 1 A 42 42 THR H H 37 7.460 7.896 -0.436 1
1 356 . 8 1 1 A 42 42 THR HA H 37 4.260 4.480 -0.220 1
1 361 . 8 1 1 A 42 42 THR CA C 37 63.660 63.016 0.644 1
1 362 . 8 1 1 A 42 42 THR CB C 37 69.960 69.593 0.367 1
1 364 . 8 1 1 A 42 42 THR N N 37 115.720 117.697 -1.977 1
1 365 . 8 1 1 A 43 43 THR H H 38 8.420 8.832 -0.412 1
1 366 . 8 1 1 A 43 43 THR HA H 38 5.920 5.918 0.002 1
1 371 . 8 1 1 A 43 43 THR CA C 38 59.560 59.407 0.153 1
1 372 . 8 1 1 A 43 43 THR CB C 38 72.140 72.089 0.051 1
1 374 . 8 1 1 A 43 43 THR N N 38 116.010 114.383 1.627 1
1 375 . 8 1 1 A 44 44 GLN H H 39 9.180 8.665 0.515 1
1 376 . 8 1 1 A 44 44 GLN HA H 39 4.930 5.002 -0.072 1
1 383 . 8 1 1 A 44 44 GLN CA C 39 54.890 54.630 0.260 1
1 384 . 8 1 1 A 44 44 GLN CB C 39 32.550 30.731 1.819 1
1 386 . 8 1 1 A 44 44 GLN N N 39 116.860 118.261 -1.401 1
1 388 . 8 1 1 A 45 45 TRP H H 40 8.890 8.824 0.066 1
1 389 . 8 1 1 A 45 45 TRP HA H 40 4.820 5.013 -0.193 1
1 397 . 8 1 1 A 45 45 TRP CA C 40 59.410 58.613 0.797 1
1 398 . 8 1 1 A 45 45 TRP CB C 40 30.270 31.879 -1.609 1
1 399 . 8 1 1 A 45 45 TRP N N 40 121.200 122.254 -1.054 1
1 400 . 8 1 1 A 46 46 GLU H H 41 7.970 8.179 -0.209 1
1 401 . 8 1 1 A 46 46 GLU HA H 41 4.720 4.784 -0.064 1
1 406 . 8 1 1 A 46 46 GLU CA C 41 54.070 54.986 -0.916 1
1 407 . 8 1 1 A 46 46 GLU CB C 41 29.640 28.648 0.992 1
1 409 . 8 1 1 A 46 46 GLU N N 41 119.500 119.107 0.393 1
1 410 . 8 1 1 A 47 47 PRO HA H 42 2.900 3.420 -0.520 1
1 417 . 8 1 1 A 47 47 PRO CA C 42 60.700 61.581 -0.881 1
1 418 . 8 1 1 A 47 47 PRO CB C 42 29.760 31.795 -2.035 1
1 421 . 8 1 1 A 48 48 PRO HA H 43 3.770 4.419 -0.649 1
1 428 . 8 1 1 A 48 48 PRO CA C 43 61.890 61.947 -0.057 1
1 429 . 8 1 1 A 48 48 PRO CB C 43 30.880 28.800 2.080 1
1 432 . 8 1 1 A 49 49 GLY H H 44 8.020 8.367 -0.347 1
1 433 . 8 1 1 A 49 49 GLY HA2 H 44 3.770 4.114 -0.344 1
1 434 . 8 1 1 A 49 49 GLY HA3 H 44 3.770 4.119 -0.349 1
1 435 . 8 1 1 A 49 49 GLY CA C 44 44.770 45.272 -0.502 1
1 436 . 8 1 1 A 49 49 GLY N N 44 107.850 110.696 -2.846 1
1 437 . 8 1 1 A 50 50 ARG H H 45 7.980 8.618 -0.638 1
1 438 . 8 1 1 A 50 50 ARG HA H 45 4.280 4.857 -0.577 1
1 445 . 8 1 1 A 50 50 ARG CA C 45 55.730 54.136 1.594 1
1 446 . 8 1 1 A 50 50 ARG CB C 45 31.150 33.107 -1.957 1
1 449 . 8 1 1 A 50 50 ARG N N 45 119.870 125.760 -5.890 1
1 450 . 8 1 1 A 51 51 ALA H H 46 8.340 8.399 -0.059 1
1 451 . 8 1 1 A 51 51 ALA HA H 46 4.330 3.950 0.380 1
1 455 . 8 1 1 A 51 51 ALA CA C 46 52.290 52.978 -0.688 1
1 456 . 8 1 1 A 51 51 ALA CB C 46 19.450 17.870 1.580 1
1 457 . 8 1 1 A 51 51 ALA N N 46 125.360 125.163 0.197 1
1 458 . 8 1 1 A 52 52 SER H H 47 8.360 8.218 0.142 1
1 459 . 8 1 1 A 52 52 SER HA H 47 4.730 4.871 -0.141 1
1 462 . 8 1 1 A 52 52 SER CA C 47 56.520 56.538 -0.018 1
1 463 . 8 1 1 A 52 52 SER CB C 47 63.460 63.157 0.303 1
1 464 . 8 1 1 A 52 52 SER N N 47 117.200 117.439 -0.239 1
1 465 . 8 1 1 A 53 53 PRO HA H 48 4.490 4.418 0.072 1
1 472 . 8 1 1 A 53 53 PRO CA C 48 63.450 64.153 -0.703 1
1 473 . 8 1 1 A 53 53 PRO CB C 48 32.280 32.222 0.058 1
1 476 . 8 1 1 A 54 54 SER H H 49 8.420 7.433 0.987 1
1 477 . 8 1 1 A 54 54 SER HA H 49 4.440 4.743 -0.303 1
1 480 . 8 1 1 A 54 54 SER CA C 49 58.490 56.339 2.151 1
1 481 . 8 1 1 A 54 54 SER CB C 49 63.990 65.197 -1.207 1
1 482 . 8 1 1 A 54 54 SER N N 49 116.680 110.127 6.553 1
1 8 . 9 1 1 A 7 7 SER H H 2 8.110 8.828 -0.718 1
1 9 . 9 1 1 A 7 7 SER HA H 2 4.360 5.215 -0.855 1
1 12 . 9 1 1 A 7 7 SER CA C 2 58.690 56.931 1.759 1
1 13 . 9 1 1 A 7 7 SER CB C 2 63.740 63.742 -0.002 1
1 14 . 9 1 1 A 7 7 SER N N 2 115.530 113.640 1.890 1
1 15 . 9 1 1 A 8 8 PHE H H 3 8.100 8.480 -0.380 1
1 16 . 9 1 1 A 8 8 PHE HA H 3 4.580 4.629 -0.049 1
1 21 . 9 1 1 A 8 8 PHE CA C 3 57.940 58.693 -0.753 1
1 22 . 9 1 1 A 8 8 PHE CB C 3 39.440 40.999 -1.559 1
1 23 . 9 1 1 A 8 8 PHE N N 3 121.690 122.177 -0.487 1
1 24 . 9 1 1 A 9 9 TRP H H 4 7.960 7.623 0.337 1
1 25 . 9 1 1 A 9 9 TRP HA H 4 4.580 4.658 -0.078 1
1 33 . 9 1 1 A 9 9 TRP CA C 4 57.320 59.059 -1.739 1
1 34 . 9 1 1 A 9 9 TRP CB C 4 29.740 30.115 -0.375 1
1 35 . 9 1 1 A 9 9 TRP N N 4 122.750 119.408 3.342 1
1 36 . 9 1 1 A 10 10 ASN H H 5 7.960 8.737 -0.777 1
1 37 . 9 1 1 A 10 10 ASN HA H 5 4.770 5.348 -0.578 1
1 42 . 9 1 1 A 10 10 ASN CA C 5 50.520 49.820 0.700 1
1 43 . 9 1 1 A 10 10 ASN CB C 5 39.570 39.306 0.264 1
1 44 . 9 1 1 A 10 10 ASN N N 5 122.600 124.374 -1.774 1
1 46 . 9 1 1 A 11 11 PRO HA H 6 4.090 4.456 -0.366 1
1 53 . 9 1 1 A 11 11 PRO CA C 6 63.660 64.776 -1.116 1
1 54 . 9 1 1 A 11 11 PRO CB C 6 32.160 32.133 0.027 1
1 57 . 9 1 1 A 12 12 ASN H H 7 8.100 8.495 -0.395 1
1 58 . 9 1 1 A 12 12 ASN HA H 7 4.640 4.559 0.081 1
1 63 . 9 1 1 A 12 12 ASN CA C 7 53.330 55.460 -2.130 1
1 64 . 9 1 1 A 12 12 ASN CB C 7 38.910 38.058 0.852 1
1 65 . 9 1 1 A 12 12 ASN N N 7 116.820 115.361 1.459 1
1 67 . 9 1 1 A 13 13 ALA H H 8 7.760 7.788 -0.028 1
1 68 . 9 1 1 A 13 13 ALA HA H 8 4.190 4.202 -0.012 1
1 72 . 9 1 1 A 13 13 ALA CA C 8 52.840 50.256 2.584 1
1 73 . 9 1 1 A 13 13 ALA CB C 8 19.240 19.762 -0.522 1
1 74 . 9 1 1 A 13 13 ALA N N 8 123.280 121.140 2.140 1
1 75 . 9 1 1 A 14 14 PHE H H 9 7.980 7.542 0.438 1
1 76 . 9 1 1 A 14 14 PHE HA H 9 4.680 4.925 -0.245 1
1 81 . 9 1 1 A 14 14 PHE CA C 9 57.310 56.579 0.731 1
1 82 . 9 1 1 A 14 14 PHE CB C 9 39.790 39.051 0.739 1
1 83 . 9 1 1 A 14 14 PHE N N 9 118.120 118.826 -0.706 1
1 84 . 9 1 1 A 15 15 GLU H H 10 8.340 7.612 0.728 1
1 85 . 9 1 1 A 15 15 GLU HA H 10 4.410 4.878 -0.468 1
1 90 . 9 1 1 A 15 15 GLU CA C 10 56.550 54.648 1.902 1
1 91 . 9 1 1 A 15 15 GLU CB C 10 30.750 32.762 -2.012 1
1 93 . 9 1 1 A 15 15 GLU N N 10 122.120 120.008 2.112 1
1 94 . 9 1 1 A 16 16 THR H H 11 8.230 8.472 -0.242 1
1 95 . 9 1 1 A 16 16 THR HA H 11 4.380 4.754 -0.374 1
1 100 . 9 1 1 A 16 16 THR CA C 11 61.900 61.150 0.750 1
1 101 . 9 1 1 A 16 16 THR CB C 11 69.890 70.423 -0.533 1
1 103 . 9 1 1 A 16 16 THR N N 11 114.830 115.080 -0.250 1
1 104 . 9 1 1 A 17 17 ASP H H 12 8.480 9.096 -0.616 1
1 105 . 9 1 1 A 17 17 ASP HA H 12 4.710 4.336 0.374 1
1 108 . 9 1 1 A 17 17 ASP CA C 12 54.650 54.872 -0.222 1
1 109 . 9 1 1 A 17 17 ASP CB C 12 41.480 39.278 2.202 1
1 110 . 9 1 1 A 17 17 ASP N N 12 122.650 124.234 -1.584 1
1 111 . 9 1 1 A 18 18 SER H H 13 8.330 8.130 0.200 1
1 112 . 9 1 1 A 18 18 SER HA H 13 4.430 4.343 0.087 1
1 115 . 9 1 1 A 18 18 SER CA C 13 59.130 61.190 -2.060 1
1 116 . 9 1 1 A 18 18 SER CB C 13 63.900 63.368 0.532 1
1 117 . 9 1 1 A 18 18 SER N N 13 116.280 120.942 -4.662 1
1 118 . 9 1 1 A 19 19 ASP H H 14 8.560 8.455 0.105 1
1 119 . 9 1 1 A 19 19 ASP HA H 14 4.630 4.806 -0.176 1
1 122 . 9 1 1 A 19 19 ASP CA C 14 54.300 53.258 1.042 1
1 123 . 9 1 1 A 19 19 ASP CB C 14 40.820 41.431 -0.611 1
1 124 . 9 1 1 A 19 19 ASP N N 14 121.330 119.985 1.345 1
1 125 . 9 1 1 A 20 20 LEU H H 15 7.990 7.092 0.898 1
1 126 . 9 1 1 A 20 20 LEU HA H 15 4.630 4.435 0.195 1
1 136 . 9 1 1 A 20 20 LEU CA C 15 52.640 52.773 -0.133 1
1 137 . 9 1 1 A 20 20 LEU CB C 15 42.530 41.027 1.503 1
1 141 . 9 1 1 A 20 20 LEU N N 15 121.650 122.067 -0.417 1
1 142 . 9 1 1 A 21 21 PRO HA H 16 4.570 4.622 -0.052 1
1 149 . 9 1 1 A 21 21 PRO CA C 16 62.080 62.314 -0.234 1
1 150 . 9 1 1 A 21 21 PRO CB C 16 31.760 33.250 -1.490 1
1 153 . 9 1 1 A 22 22 ALA H H 17 8.410 8.323 0.087 1
1 154 . 9 1 1 A 22 22 ALA HA H 17 4.210 4.660 -0.450 1
1 158 . 9 1 1 A 22 22 ALA CA C 17 53.950 52.252 1.698 1
1 159 . 9 1 1 A 22 22 ALA CB C 17 18.650 20.002 -1.352 1
1 160 . 9 1 1 A 22 22 ALA N N 17 122.940 122.704 0.236 1
1 161 . 9 1 1 A 23 23 GLY H H 18 8.710 8.749 -0.039 1
1 162 . 9 1 1 A 23 23 GLY HA2 H 18 3.460 3.876 -0.416 1
1 163 . 9 1 1 A 23 23 GLY HA3 H 18 3.890 3.919 -0.029 1
1 164 . 9 1 1 A 23 23 GLY CA C 18 45.110 45.122 -0.012 1
1 165 . 9 1 1 A 23 23 GLY N N 18 110.320 110.520 -0.200 1
1 166 . 9 1 1 A 24 24 TRP H H 19 7.810 7.922 -0.112 1
1 167 . 9 1 1 A 24 24 TRP HA H 19 5.520 5.034 0.486 1
1 175 . 9 1 1 A 24 24 TRP CA C 19 57.020 56.525 0.495 1
1 176 . 9 1 1 A 24 24 TRP CB C 19 32.270 32.221 0.049 1
1 177 . 9 1 1 A 24 24 TRP N N 19 118.390 120.473 -2.083 1
1 178 . 9 1 1 A 25 25 MET H H 20 9.570 9.150 0.420 1
1 179 . 9 1 1 A 25 25 MET HA H 20 4.940 5.167 -0.227 1
1 184 . 9 1 1 A 25 25 MET CA C 20 54.390 53.784 0.606 1
1 185 . 9 1 1 A 25 25 MET CB C 20 37.220 34.880 2.340 1
1 187 . 9 1 1 A 25 25 MET N N 20 119.380 125.197 -5.817 1
1 188 . 9 1 1 A 26 26 ARG H H 21 8.880 8.834 0.046 1
1 189 . 9 1 1 A 26 26 ARG HA H 21 4.490 5.270 -0.780 1
1 196 . 9 1 1 A 26 26 ARG CA C 21 55.570 54.785 0.785 1
1 197 . 9 1 1 A 26 26 ARG CB C 21 31.880 32.681 -0.801 1
1 200 . 9 1 1 A 26 26 ARG N N 21 124.980 124.005 0.975 1
1 201 . 9 1 1 A 27 27 VAL H H 22 8.860 8.377 0.483 1
1 202 . 9 1 1 A 27 27 VAL HA H 22 3.960 4.833 -0.873 1
1 210 . 9 1 1 A 27 27 VAL CA C 22 61.320 60.023 1.297 1
1 211 . 9 1 1 A 27 27 VAL CB C 22 33.470 33.828 -0.358 1
1 214 . 9 1 1 A 27 27 VAL N N 22 128.370 126.400 1.970 1
1 215 . 9 1 1 A 28 28 GLN H H 23 8.230 8.658 -0.428 1
1 216 . 9 1 1 A 28 28 GLN HA H 23 4.980 4.822 0.158 1
1 223 . 9 1 1 A 28 28 GLN CA C 23 54.520 54.481 0.039 1
1 224 . 9 1 1 A 28 28 GLN CB C 23 30.560 30.207 0.353 1
1 226 . 9 1 1 A 28 28 GLN N N 23 123.980 125.163 -1.183 1
1 228 . 9 1 1 A 29 29 ASP H H 24 8.710 8.547 0.163 1
1 229 . 9 1 1 A 29 29 ASP HA H 24 4.900 5.039 -0.139 1
1 232 . 9 1 1 A 29 29 ASP CA C 24 53.040 53.160 -0.120 1
1 233 . 9 1 1 A 29 29 ASP CB C 24 42.730 42.626 0.104 1
1 234 . 9 1 1 A 29 29 ASP N N 24 126.160 127.511 -1.351 1
1 235 . 9 1 1 A 30 30 THR H H 25 8.250 8.964 -0.714 1
1 236 . 9 1 1 A 30 30 THR HA H 25 4.120 3.963 0.157 1
1 241 . 9 1 1 A 30 30 THR CA C 25 65.160 66.038 -0.878 1
1 242 . 9 1 1 A 30 30 THR CB C 25 68.870 68.531 0.339 1
1 244 . 9 1 1 A 30 30 THR N N 25 112.460 117.406 -4.946 1
1 245 . 9 1 1 A 31 31 SER H H 26 8.940 7.933 1.007 1
1 246 . 9 1 1 A 31 31 SER HA H 26 4.560 4.318 0.242 1
1 249 . 9 1 1 A 31 31 SER CA C 26 59.690 60.286 -0.596 1
1 250 . 9 1 1 A 31 31 SER CB C 26 64.170 63.877 0.293 1
1 251 . 9 1 1 A 31 31 SER N N 26 117.280 116.250 1.030 1
1 252 . 9 1 1 A 32 32 GLY H H 27 7.890 7.440 0.450 1
1 253 . 9 1 1 A 32 32 GLY HA2 H 27 3.950 4.162 -0.212 1
1 254 . 9 1 1 A 32 32 GLY HA3 H 27 4.760 4.238 0.522 1
1 255 . 9 1 1 A 32 32 GLY CA C 27 44.820 45.450 -0.630 1
1 256 . 9 1 1 A 32 32 GLY N N 27 110.950 107.751 3.199 1
1 257 . 9 1 1 A 33 33 THR H H 28 8.460 8.594 -0.134 1
1 258 . 9 1 1 A 33 33 THR HA H 28 5.230 5.058 0.172 1
1 263 . 9 1 1 A 33 33 THR CA C 28 61.750 63.014 -1.264 1
1 264 . 9 1 1 A 33 33 THR CB C 28 70.530 68.976 1.554 1
1 266 . 9 1 1 A 33 33 THR N N 28 117.690 116.292 1.398 1
1 267 . 9 1 1 A 34 34 TYR H H 29 8.700 8.407 0.293 1
1 268 . 9 1 1 A 34 34 TYR HA H 29 4.670 4.668 0.002 1
1 275 . 9 1 1 A 34 34 TYR CA C 29 55.500 54.808 0.692 1
1 276 . 9 1 1 A 34 34 TYR CB C 29 38.140 40.160 -2.020 1
1 277 . 9 1 1 A 34 34 TYR N N 29 123.420 124.967 -1.547 1
1 278 . 9 1 1 A 35 35 TYR H H 30 8.920 8.346 0.574 1
1 279 . 9 1 1 A 35 35 TYR HA H 30 5.330 5.699 -0.369 1
1 286 . 9 1 1 A 35 35 TYR CA C 30 57.550 56.693 0.857 1
1 287 . 9 1 1 A 35 35 TYR CB C 30 41.270 42.868 -1.598 1
1 288 . 9 1 1 A 35 35 TYR N N 30 116.920 116.119 0.801 1
1 289 . 9 1 1 A 36 36 TRP H H 31 9.580 8.786 0.794 1
1 290 . 9 1 1 A 36 36 TRP HA H 31 5.740 5.543 0.197 1
1 299 . 9 1 1 A 36 36 TRP CA C 31 54.290 55.272 -0.982 1
1 300 . 9 1 1 A 36 36 TRP CB C 31 33.420 32.356 1.064 1
1 301 . 9 1 1 A 36 36 TRP N N 31 126.100 124.243 1.857 1
1 303 . 9 1 1 A 37 37 HIS H H 32 8.950 8.991 -0.041 1
1 304 . 9 1 1 A 37 37 HIS HA H 32 3.940 3.874 0.066 1
1 309 . 9 1 1 A 37 37 HIS CA C 32 55.050 54.262 0.788 1
1 310 . 9 1 1 A 37 37 HIS CB C 32 29.110 28.769 0.341 1
1 311 . 9 1 1 A 37 37 HIS N N 32 130.940 127.315 3.625 1
1 312 . 9 1 1 A 38 38 ILE H H 33 8.130 7.862 0.268 1
1 313 . 9 1 1 A 38 38 ILE HA H 33 2.920 3.061 -0.141 1
1 323 . 9 1 1 A 38 38 ILE CA C 33 65.700 65.903 -0.203 1
1 324 . 9 1 1 A 38 38 ILE CB C 33 35.350 34.752 0.598 1
1 328 . 9 1 1 A 38 38 ILE N N 33 127.650 125.297 2.353 1
1 329 . 9 1 1 A 39 39 PRO HA H 34 4.120 4.132 -0.012 1
1 336 . 9 1 1 A 39 39 PRO CA C 34 65.700 65.548 0.152 1
1 337 . 9 1 1 A 39 39 PRO CB C 34 32.150 30.476 1.674 1
1 340 . 9 1 1 A 40 40 THR H H 35 6.470 7.088 -0.618 1
1 341 . 9 1 1 A 40 40 THR HA H 35 4.510 4.100 0.410 1
1 346 . 9 1 1 A 40 40 THR CA C 35 61.240 62.492 -1.252 1
1 347 . 9 1 1 A 40 40 THR CB C 35 72.280 69.791 2.489 1
1 349 . 9 1 1 A 40 40 THR N N 35 100.770 108.995 -8.225 1
1 350 . 9 1 1 A 41 41 GLY H H 36 8.530 7.755 0.775 1
1 351 . 9 1 1 A 41 41 GLY HA2 H 36 3.660 4.071 -0.411 1
1 352 . 9 1 1 A 41 41 GLY HA3 H 36 4.210 4.165 0.045 1
1 353 . 9 1 1 A 41 41 GLY CA C 36 46.220 45.124 1.096 1
1 354 . 9 1 1 A 41 41 GLY N N 36 113.280 110.795 2.485 1
1 355 . 9 1 1 A 42 42 THR H H 37 7.460 7.585 -0.125 1
1 356 . 9 1 1 A 42 42 THR HA H 37 4.260 4.578 -0.318 1
1 361 . 9 1 1 A 42 42 THR CA C 37 63.660 62.193 1.467 1
1 362 . 9 1 1 A 42 42 THR CB C 37 69.960 70.051 -0.091 1
1 364 . 9 1 1 A 42 42 THR N N 37 115.720 115.662 0.058 1
1 365 . 9 1 1 A 43 43 THR H H 38 8.420 8.828 -0.408 1
1 366 . 9 1 1 A 43 43 THR HA H 38 5.920 5.452 0.468 1
1 371 . 9 1 1 A 43 43 THR CA C 38 59.560 59.909 -0.349 1
1 372 . 9 1 1 A 43 43 THR CB C 38 72.140 71.753 0.387 1
1 374 . 9 1 1 A 43 43 THR N N 38 116.010 113.571 2.439 1
1 375 . 9 1 1 A 44 44 GLN H H 39 9.180 8.306 0.874 1
1 376 . 9 1 1 A 44 44 GLN HA H 39 4.930 5.080 -0.150 1
1 383 . 9 1 1 A 44 44 GLN CA C 39 54.890 54.191 0.699 1
1 384 . 9 1 1 A 44 44 GLN CB C 39 32.550 33.842 -1.292 1
1 386 . 9 1 1 A 44 44 GLN N N 39 116.860 118.583 -1.723 1
1 388 . 9 1 1 A 45 45 TRP H H 40 8.890 8.930 -0.040 1
1 389 . 9 1 1 A 45 45 TRP HA H 40 4.820 5.080 -0.260 1
1 397 . 9 1 1 A 45 45 TRP CA C 40 59.410 57.269 2.141 1
1 398 . 9 1 1 A 45 45 TRP CB C 40 30.270 31.130 -0.860 1
1 399 . 9 1 1 A 45 45 TRP N N 40 121.200 119.538 1.662 1
1 400 . 9 1 1 A 46 46 GLU H H 41 7.970 8.175 -0.205 1
1 401 . 9 1 1 A 46 46 GLU HA H 41 4.720 4.913 -0.193 1
1 406 . 9 1 1 A 46 46 GLU CA C 41 54.070 53.445 0.625 1
1 407 . 9 1 1 A 46 46 GLU CB C 41 29.640 30.881 -1.241 1
1 409 . 9 1 1 A 46 46 GLU N N 41 119.500 119.570 -0.070 1
1 410 . 9 1 1 A 47 47 PRO HA H 42 2.900 4.327 -1.427 1
1 417 . 9 1 1 A 47 47 PRO CA C 42 60.700 62.235 -1.535 1
1 418 . 9 1 1 A 47 47 PRO CB C 42 29.760 31.530 -1.770 1
1 421 . 9 1 1 A 48 48 PRO HA H 43 3.770 4.275 -0.505 1
1 428 . 9 1 1 A 48 48 PRO CA C 43 61.890 61.974 -0.084 1
1 429 . 9 1 1 A 48 48 PRO CB C 43 30.880 32.393 -1.513 1
1 432 . 9 1 1 A 49 49 GLY H H 44 8.020 7.975 0.045 1
1 433 . 9 1 1 A 49 49 GLY HA2 H 44 3.770 4.129 -0.359 1
1 434 . 9 1 1 A 49 49 GLY HA3 H 44 3.770 4.155 -0.385 1
1 435 . 9 1 1 A 49 49 GLY CA C 44 44.770 45.700 -0.930 1
1 436 . 9 1 1 A 49 49 GLY N N 44 107.850 106.492 1.358 1
1 437 . 9 1 1 A 50 50 ARG H H 45 7.980 8.413 -0.433 1
1 438 . 9 1 1 A 50 50 ARG HA H 45 4.280 4.328 -0.048 1
1 445 . 9 1 1 A 50 50 ARG CA C 45 55.730 55.560 0.170 1
1 446 . 9 1 1 A 50 50 ARG CB C 45 31.150 31.095 0.055 1
1 449 . 9 1 1 A 50 50 ARG N N 45 119.870 120.757 -0.887 1
1 450 . 9 1 1 A 51 51 ALA H H 46 8.340 8.442 -0.102 1
1 451 . 9 1 1 A 51 51 ALA HA H 46 4.330 5.061 -0.731 1
1 455 . 9 1 1 A 51 51 ALA CA C 46 52.290 51.221 1.069 1
1 456 . 9 1 1 A 51 51 ALA CB C 46 19.450 21.144 -1.694 1
1 457 . 9 1 1 A 51 51 ALA N N 46 125.360 121.692 3.668 1
1 458 . 9 1 1 A 52 52 SER H H 47 8.360 9.013 -0.653 1
1 459 . 9 1 1 A 52 52 SER HA H 47 4.730 5.005 -0.275 1
1 462 . 9 1 1 A 52 52 SER CA C 47 56.520 54.820 1.700 1
1 463 . 9 1 1 A 52 52 SER CB C 47 63.460 64.412 -0.952 1
1 464 . 9 1 1 A 52 52 SER N N 47 117.200 119.987 -2.787 1
1 465 . 9 1 1 A 53 53 PRO HA H 48 4.490 4.838 -0.348 1
1 472 . 9 1 1 A 53 53 PRO CA C 48 63.450 62.733 0.717 1
1 473 . 9 1 1 A 53 53 PRO CB C 48 32.280 31.661 0.619 1
1 476 . 9 1 1 A 54 54 SER H H 49 8.420 8.295 0.125 1
1 477 . 9 1 1 A 54 54 SER HA H 49 4.440 4.695 -0.255 1
1 480 . 9 1 1 A 54 54 SER CA C 49 58.490 57.108 1.382 1
1 481 . 9 1 1 A 54 54 SER CB C 49 63.990 65.797 -1.807 1
1 482 . 9 1 1 A 54 54 SER N N 49 116.680 113.741 2.939 1
1 8 . 10 1 1 A 7 7 SER H H 2 8.110 7.430 0.680 1
1 9 . 10 1 1 A 7 7 SER HA H 2 4.360 4.401 -0.041 1
1 12 . 10 1 1 A 7 7 SER CA C 2 58.690 57.327 1.363 1
1 13 . 10 1 1 A 7 7 SER CB C 2 63.740 65.109 -1.369 1
1 14 . 10 1 1 A 7 7 SER N N 2 115.530 110.065 5.465 1
1 15 . 10 1 1 A 8 8 PHE H H 3 8.100 8.858 -0.758 1
1 16 . 10 1 1 A 8 8 PHE HA H 3 4.580 4.778 -0.198 1
1 21 . 10 1 1 A 8 8 PHE CA C 3 57.940 56.371 1.569 1
1 22 . 10 1 1 A 8 8 PHE CB C 3 39.440 37.909 1.531 1
1 23 . 10 1 1 A 8 8 PHE N N 3 121.690 117.714 3.976 1
1 24 . 10 1 1 A 9 9 TRP H H 4 7.960 8.091 -0.131 1
1 25 . 10 1 1 A 9 9 TRP HA H 4 4.580 4.258 0.322 1
1 33 . 10 1 1 A 9 9 TRP CA C 4 57.320 58.230 -0.910 1
1 34 . 10 1 1 A 9 9 TRP CB C 4 29.740 27.770 1.970 1
1 35 . 10 1 1 A 9 9 TRP N N 4 122.750 118.210 4.540 1
1 36 . 10 1 1 A 10 10 ASN H H 5 7.960 7.886 0.074 1
1 37 . 10 1 1 A 10 10 ASN HA H 5 4.770 4.701 0.069 1
1 42 . 10 1 1 A 10 10 ASN CA C 5 50.520 52.283 -1.763 1
1 43 . 10 1 1 A 10 10 ASN CB C 5 39.570 38.250 1.320 1
1 44 . 10 1 1 A 10 10 ASN N N 5 122.600 122.614 -0.014 1
1 46 . 10 1 1 A 11 11 PRO HA H 6 4.090 4.639 -0.549 1
1 53 . 10 1 1 A 11 11 PRO CA C 6 63.660 64.282 -0.622 1
1 54 . 10 1 1 A 11 11 PRO CB C 6 32.160 32.107 0.053 1
1 57 . 10 1 1 A 12 12 ASN H H 7 8.100 8.011 0.089 1
1 58 . 10 1 1 A 12 12 ASN HA H 7 4.640 5.058 -0.418 1
1 63 . 10 1 1 A 12 12 ASN CA C 7 53.330 54.324 -0.994 1
1 64 . 10 1 1 A 12 12 ASN CB C 7 38.910 41.635 -2.725 1
1 65 . 10 1 1 A 12 12 ASN N N 7 116.820 114.945 1.875 1
1 67 . 10 1 1 A 13 13 ALA H H 8 7.760 7.380 0.380 1
1 68 . 10 1 1 A 13 13 ALA HA H 8 4.190 4.371 -0.181 1
1 72 . 10 1 1 A 13 13 ALA CA C 8 52.840 51.538 1.302 1
1 73 . 10 1 1 A 13 13 ALA CB C 8 19.240 20.524 -1.284 1
1 74 . 10 1 1 A 13 13 ALA N N 8 123.280 117.809 5.471 1
1 75 . 10 1 1 A 14 14 PHE H H 9 7.980 8.848 -0.868 1
1 76 . 10 1 1 A 14 14 PHE HA H 9 4.680 4.561 0.119 1
1 81 . 10 1 1 A 14 14 PHE CA C 9 57.310 59.072 -1.762 1
1 82 . 10 1 1 A 14 14 PHE CB C 9 39.790 39.359 0.431 1
1 83 . 10 1 1 A 14 14 PHE N N 9 118.120 117.765 0.355 1
1 84 . 10 1 1 A 15 15 GLU H H 10 8.340 8.369 -0.029 1
1 85 . 10 1 1 A 15 15 GLU HA H 10 4.410 4.210 0.200 1
1 90 . 10 1 1 A 15 15 GLU CA C 10 56.550 57.401 -0.851 1
1 91 . 10 1 1 A 15 15 GLU CB C 10 30.750 30.153 0.597 1
1 93 . 10 1 1 A 15 15 GLU N N 10 122.120 121.891 0.229 1
1 94 . 10 1 1 A 16 16 THR H H 11 8.230 8.347 -0.117 1
1 95 . 10 1 1 A 16 16 THR HA H 11 4.380 4.665 -0.285 1
1 100 . 10 1 1 A 16 16 THR CA C 11 61.900 61.366 0.534 1
1 101 . 10 1 1 A 16 16 THR CB C 11 69.890 69.732 0.158 1
1 103 . 10 1 1 A 16 16 THR N N 11 114.830 116.364 -1.534 1
1 104 . 10 1 1 A 17 17 ASP H H 12 8.480 8.950 -0.470 1
1 105 . 10 1 1 A 17 17 ASP HA H 12 4.710 4.354 0.356 1
1 108 . 10 1 1 A 17 17 ASP CA C 12 54.650 56.196 -1.546 1
1 109 . 10 1 1 A 17 17 ASP CB C 12 41.480 39.461 2.019 1
1 110 . 10 1 1 A 17 17 ASP N N 12 122.650 121.486 1.164 1
1 111 . 10 1 1 A 18 18 SER H H 13 8.330 8.713 -0.383 1
1 112 . 10 1 1 A 18 18 SER HA H 13 4.430 4.763 -0.333 1
1 115 . 10 1 1 A 18 18 SER CA C 13 59.130 59.790 -0.660 1
1 116 . 10 1 1 A 18 18 SER CB C 13 63.900 66.042 -2.142 1
1 117 . 10 1 1 A 18 18 SER N N 13 116.280 119.018 -2.738 1
1 118 . 10 1 1 A 19 19 ASP H H 14 8.560 7.926 0.634 1
1 119 . 10 1 1 A 19 19 ASP HA H 14 4.630 4.956 -0.326 1
1 122 . 10 1 1 A 19 19 ASP CA C 14 54.300 53.112 1.188 1
1 123 . 10 1 1 A 19 19 ASP CB C 14 40.820 40.794 0.026 1
1 124 . 10 1 1 A 19 19 ASP N N 14 121.330 116.264 5.066 1
1 125 . 10 1 1 A 20 20 LEU H H 15 7.990 7.575 0.415 1
1 126 . 10 1 1 A 20 20 LEU HA H 15 4.630 4.436 0.194 1
1 136 . 10 1 1 A 20 20 LEU CA C 15 52.640 53.275 -0.635 1
1 137 . 10 1 1 A 20 20 LEU CB C 15 42.530 40.702 1.828 1
1 141 . 10 1 1 A 20 20 LEU N N 15 121.650 123.128 -1.478 1
1 142 . 10 1 1 A 21 21 PRO HA H 16 4.570 4.643 -0.073 1
1 149 . 10 1 1 A 21 21 PRO CA C 16 62.080 62.293 -0.213 1
1 150 . 10 1 1 A 21 21 PRO CB C 16 31.760 33.268 -1.508 1
1 153 . 10 1 1 A 22 22 ALA H H 17 8.410 8.359 0.051 1
1 154 . 10 1 1 A 22 22 ALA HA H 17 4.210 4.514 -0.304 1
1 158 . 10 1 1 A 22 22 ALA CA C 17 53.950 52.763 1.187 1
1 159 . 10 1 1 A 22 22 ALA CB C 17 18.650 19.772 -1.122 1
1 160 . 10 1 1 A 22 22 ALA N N 17 122.940 122.667 0.273 1
1 161 . 10 1 1 A 23 23 GLY H H 18 8.710 8.747 -0.037 1
1 162 . 10 1 1 A 23 23 GLY HA2 H 18 3.460 3.784 -0.324 1
1 163 . 10 1 1 A 23 23 GLY HA3 H 18 3.890 3.808 0.082 1
1 164 . 10 1 1 A 23 23 GLY CA C 18 45.110 45.327 -0.217 1
1 165 . 10 1 1 A 23 23 GLY N N 18 110.320 110.491 -0.171 1
1 166 . 10 1 1 A 24 24 TRP H H 19 7.810 7.957 -0.147 1
1 167 . 10 1 1 A 24 24 TRP HA H 19 5.520 5.207 0.313 1
1 175 . 10 1 1 A 24 24 TRP CA C 19 57.020 56.130 0.890 1
1 176 . 10 1 1 A 24 24 TRP CB C 19 32.270 32.855 -0.585 1
1 177 . 10 1 1 A 24 24 TRP N N 19 118.390 120.424 -2.034 1
1 178 . 10 1 1 A 25 25 MET H H 20 9.570 9.093 0.477 1
1 179 . 10 1 1 A 25 25 MET HA H 20 4.940 5.369 -0.429 1
1 184 . 10 1 1 A 25 25 MET CA C 20 54.390 54.055 0.335 1
1 185 . 10 1 1 A 25 25 MET CB C 20 37.220 36.961 0.259 1
1 187 . 10 1 1 A 25 25 MET N N 20 119.380 121.270 -1.890 1
1 188 . 10 1 1 A 26 26 ARG H H 21 8.880 8.697 0.183 1
1 189 . 10 1 1 A 26 26 ARG HA H 21 4.490 4.948 -0.458 1
1 196 . 10 1 1 A 26 26 ARG CA C 21 55.570 54.681 0.889 1
1 197 . 10 1 1 A 26 26 ARG CB C 21 31.880 32.672 -0.792 1
1 200 . 10 1 1 A 26 26 ARG N N 21 124.980 123.277 1.703 1
1 201 . 10 1 1 A 27 27 VAL H H 22 8.860 8.256 0.604 1
1 202 . 10 1 1 A 27 27 VAL HA H 22 3.960 4.739 -0.779 1
1 210 . 10 1 1 A 27 27 VAL CA C 22 61.320 59.942 1.378 1
1 211 . 10 1 1 A 27 27 VAL CB C 22 33.470 33.979 -0.509 1
1 214 . 10 1 1 A 27 27 VAL N N 22 128.370 126.109 2.261 1
1 215 . 10 1 1 A 28 28 GLN H H 23 8.230 8.620 -0.390 1
1 216 . 10 1 1 A 28 28 GLN HA H 23 4.980 4.862 0.118 1
1 223 . 10 1 1 A 28 28 GLN CA C 23 54.520 54.181 0.339 1
1 224 . 10 1 1 A 28 28 GLN CB C 23 30.560 30.121 0.439 1
1 226 . 10 1 1 A 28 28 GLN N N 23 123.980 124.348 -0.368 1
1 228 . 10 1 1 A 29 29 ASP H H 24 8.710 8.618 0.092 1
1 229 . 10 1 1 A 29 29 ASP HA H 24 4.900 5.070 -0.170 1
1 232 . 10 1 1 A 29 29 ASP CA C 24 53.040 53.548 -0.508 1
1 233 . 10 1 1 A 29 29 ASP CB C 24 42.730 42.984 -0.254 1
1 234 . 10 1 1 A 29 29 ASP N N 24 126.160 127.517 -1.357 1
1 235 . 10 1 1 A 30 30 THR H H 25 8.250 8.641 -0.391 1
1 236 . 10 1 1 A 30 30 THR HA H 25 4.120 4.111 0.009 1
1 241 . 10 1 1 A 30 30 THR CA C 25 65.160 65.621 -0.461 1
1 242 . 10 1 1 A 30 30 THR CB C 25 68.870 68.944 -0.074 1
1 244 . 10 1 1 A 30 30 THR N N 25 112.460 119.265 -6.805 1
1 245 . 10 1 1 A 31 31 SER H H 26 8.940 8.191 0.749 1
1 246 . 10 1 1 A 31 31 SER HA H 26 4.560 4.415 0.145 1
1 249 . 10 1 1 A 31 31 SER CA C 26 59.690 60.081 -0.391 1
1 250 . 10 1 1 A 31 31 SER CB C 26 64.170 63.474 0.696 1
1 251 . 10 1 1 A 31 31 SER N N 26 117.280 113.967 3.313 1
1 252 . 10 1 1 A 32 32 GLY H H 27 7.890 7.340 0.550 1
1 253 . 10 1 1 A 32 32 GLY HA2 H 27 3.950 4.148 -0.198 1
1 254 . 10 1 1 A 32 32 GLY HA3 H 27 4.760 4.274 0.486 1
1 255 . 10 1 1 A 32 32 GLY CA C 27 44.820 45.112 -0.292 1
1 256 . 10 1 1 A 32 32 GLY N N 27 110.950 107.018 3.932 1
1 257 . 10 1 1 A 33 33 THR H H 28 8.460 8.617 -0.157 1
1 258 . 10 1 1 A 33 33 THR HA H 28 5.230 4.992 0.238 1
1 263 . 10 1 1 A 33 33 THR CA C 28 61.750 63.229 -1.479 1
1 264 . 10 1 1 A 33 33 THR CB C 28 70.530 69.058 1.472 1
1 266 . 10 1 1 A 33 33 THR N N 28 117.690 116.373 1.317 1
1 267 . 10 1 1 A 34 34 TYR H H 29 8.700 8.326 0.374 1
1 268 . 10 1 1 A 34 34 TYR HA H 29 4.670 5.047 -0.377 1
1 275 . 10 1 1 A 34 34 TYR CA C 29 55.500 55.052 0.448 1
1 276 . 10 1 1 A 34 34 TYR CB C 29 38.140 40.825 -2.685 1
1 277 . 10 1 1 A 34 34 TYR N N 29 123.420 125.038 -1.618 1
1 278 . 10 1 1 A 35 35 TYR H H 30 8.920 8.893 0.027 1
1 279 . 10 1 1 A 35 35 TYR HA H 30 5.330 5.767 -0.437 1
1 286 . 10 1 1 A 35 35 TYR CA C 30 57.550 56.629 0.921 1
1 287 . 10 1 1 A 35 35 TYR CB C 30 41.270 41.722 -0.452 1
1 288 . 10 1 1 A 35 35 TYR N N 30 116.920 116.677 0.243 1
1 289 . 10 1 1 A 36 36 TRP H H 31 9.580 8.890 0.690 1
1 290 . 10 1 1 A 36 36 TRP HA H 31 5.740 5.359 0.381 1
1 299 . 10 1 1 A 36 36 TRP CA C 31 54.290 56.383 -2.093 1
1 300 . 10 1 1 A 36 36 TRP CB C 31 33.420 31.625 1.795 1
1 301 . 10 1 1 A 36 36 TRP N N 31 126.100 126.319 -0.219 1
1 303 . 10 1 1 A 37 37 HIS H H 32 8.950 8.998 -0.048 1
1 304 . 10 1 1 A 37 37 HIS HA H 32 3.940 4.066 -0.126 1
1 309 . 10 1 1 A 37 37 HIS CA C 32 55.050 54.580 0.470 1
1 310 . 10 1 1 A 37 37 HIS CB C 32 29.110 29.514 -0.404 1
1 311 . 10 1 1 A 37 37 HIS N N 32 130.940 127.777 3.163 1
1 312 . 10 1 1 A 38 38 ILE H H 33 8.130 7.984 0.146 1
1 313 . 10 1 1 A 38 38 ILE HA H 33 2.920 3.113 -0.193 1
1 323 . 10 1 1 A 38 38 ILE CA C 33 65.700 65.832 -0.132 1
1 324 . 10 1 1 A 38 38 ILE CB C 33 35.350 35.079 0.271 1
1 328 . 10 1 1 A 38 38 ILE N N 33 127.650 126.747 0.903 1
1 329 . 10 1 1 A 39 39 PRO HA H 34 4.120 4.108 0.012 1
1 336 . 10 1 1 A 39 39 PRO CA C 34 65.700 65.159 0.541 1
1 337 . 10 1 1 A 39 39 PRO CB C 34 32.150 30.523 1.627 1
1 340 . 10 1 1 A 40 40 THR H H 35 6.470 7.329 -0.859 1
1 341 . 10 1 1 A 40 40 THR HA H 35 4.510 4.396 0.114 1
1 346 . 10 1 1 A 40 40 THR CA C 35 61.240 62.838 -1.598 1
1 347 . 10 1 1 A 40 40 THR CB C 35 72.280 70.890 1.390 1
1 349 . 10 1 1 A 40 40 THR N N 35 100.770 110.085 -9.315 1
1 350 . 10 1 1 A 41 41 GLY H H 36 8.530 8.055 0.475 1
1 351 . 10 1 1 A 41 41 GLY HA2 H 36 3.660 4.159 -0.499 1
1 352 . 10 1 1 A 41 41 GLY HA3 H 36 4.210 4.364 -0.154 1
1 353 . 10 1 1 A 41 41 GLY CA C 36 46.220 45.123 1.097 1
1 354 . 10 1 1 A 41 41 GLY N N 36 113.280 108.932 4.348 1
1 355 . 10 1 1 A 42 42 THR H H 37 7.460 7.775 -0.315 1
1 356 . 10 1 1 A 42 42 THR HA H 37 4.260 4.442 -0.182 1
1 361 . 10 1 1 A 42 42 THR CA C 37 63.660 62.954 0.706 1
1 362 . 10 1 1 A 42 42 THR CB C 37 69.960 69.667 0.293 1
1 364 . 10 1 1 A 42 42 THR N N 37 115.720 117.734 -2.014 1
1 365 . 10 1 1 A 43 43 THR H H 38 8.420 8.696 -0.276 1
1 366 . 10 1 1 A 43 43 THR HA H 38 5.920 5.936 -0.016 1
1 371 . 10 1 1 A 43 43 THR CA C 38 59.560 59.868 -0.308 1
1 372 . 10 1 1 A 43 43 THR CB C 38 72.140 71.821 0.319 1
1 374 . 10 1 1 A 43 43 THR N N 38 116.010 114.671 1.339 1
1 375 . 10 1 1 A 44 44 GLN H H 39 9.180 8.530 0.650 1
1 376 . 10 1 1 A 44 44 GLN HA H 39 4.930 4.865 0.065 1
1 383 . 10 1 1 A 44 44 GLN CA C 39 54.890 53.922 0.968 1
1 384 . 10 1 1 A 44 44 GLN CB C 39 32.550 31.677 0.873 1
1 386 . 10 1 1 A 44 44 GLN N N 39 116.860 118.453 -1.593 1
1 388 . 10 1 1 A 45 45 TRP H H 40 8.890 8.495 0.395 1
1 389 . 10 1 1 A 45 45 TRP HA H 40 4.820 5.090 -0.270 1
1 397 . 10 1 1 A 45 45 TRP CA C 40 59.410 58.378 1.032 1
1 398 . 10 1 1 A 45 45 TRP CB C 40 30.270 31.964 -1.694 1
1 399 . 10 1 1 A 45 45 TRP N N 40 121.200 120.555 0.645 1
1 400 . 10 1 1 A 46 46 GLU H H 41 7.970 8.280 -0.310 1
1 401 . 10 1 1 A 46 46 GLU HA H 41 4.720 4.832 -0.112 1
1 406 . 10 1 1 A 46 46 GLU CA C 41 54.070 54.370 -0.300 1
1 407 . 10 1 1 A 46 46 GLU CB C 41 29.640 29.700 -0.060 1
1 409 . 10 1 1 A 46 46 GLU N N 41 119.500 118.165 1.335 1
1 410 . 10 1 1 A 47 47 PRO HA H 42 2.900 3.748 -0.848 1
1 417 . 10 1 1 A 47 47 PRO CA C 42 60.700 61.897 -1.197 1
1 418 . 10 1 1 A 47 47 PRO CB C 42 29.760 31.793 -2.033 1
1 421 . 10 1 1 A 48 48 PRO HA H 43 3.770 4.336 -0.566 1
1 428 . 10 1 1 A 48 48 PRO CA C 43 61.890 62.133 -0.243 1
1 429 . 10 1 1 A 48 48 PRO CB C 43 30.880 31.784 -0.904 1
1 432 . 10 1 1 A 49 49 GLY H H 44 8.020 8.205 -0.185 1
1 433 . 10 1 1 A 49 49 GLY HA2 H 44 3.770 4.262 -0.492 1
1 434 . 10 1 1 A 49 49 GLY HA3 H 44 3.770 4.283 -0.513 1
1 435 . 10 1 1 A 49 49 GLY CA C 44 44.770 44.572 0.198 1
1 436 . 10 1 1 A 49 49 GLY N N 44 107.850 107.384 0.466 1
1 437 . 10 1 1 A 50 50 ARG H H 45 7.980 8.777 -0.797 1
1 438 . 10 1 1 A 50 50 ARG HA H 45 4.280 4.608 -0.328 1
1 445 . 10 1 1 A 50 50 ARG CA C 45 55.730 54.754 0.976 1
1 446 . 10 1 1 A 50 50 ARG CB C 45 31.150 30.570 0.580 1
1 449 . 10 1 1 A 50 50 ARG N N 45 119.870 123.133 -3.263 1
1 450 . 10 1 1 A 51 51 ALA H H 46 8.340 8.451 -0.111 1
1 451 . 10 1 1 A 51 51 ALA HA H 46 4.330 4.213 0.117 1
1 455 . 10 1 1 A 51 51 ALA CA C 46 52.290 52.395 -0.105 1
1 456 . 10 1 1 A 51 51 ALA CB C 46 19.450 19.733 -0.283 1
1 457 . 10 1 1 A 51 51 ALA N N 46 125.360 129.722 -4.362 1
1 458 . 10 1 1 A 52 52 SER H H 47 8.360 8.776 -0.416 1
1 459 . 10 1 1 A 52 52 SER HA H 47 4.730 3.988 0.742 1
1 462 . 10 1 1 A 52 52 SER CA C 47 56.520 58.731 -2.211 1
1 463 . 10 1 1 A 52 52 SER CB C 47 63.460 61.779 1.681 1
1 464 . 10 1 1 A 52 52 SER N N 47 117.200 112.436 4.764 1
1 465 . 10 1 1 A 53 53 PRO HA H 48 4.490 4.390 0.100 1
1 472 . 10 1 1 A 53 53 PRO CA C 48 63.450 63.406 0.044 1
1 473 . 10 1 1 A 53 53 PRO CB C 48 32.280 31.268 1.012 1
1 476 . 10 1 1 A 54 54 SER H H 49 8.420 8.622 -0.202 1
1 477 . 10 1 1 A 54 54 SER HA H 49 4.440 3.994 0.446 1
1 480 . 10 1 1 A 54 54 SER CA C 49 58.490 59.542 -1.052 1
1 481 . 10 1 1 A 54 54 SER CB C 49 63.990 61.657 2.333 1
1 482 . 10 1 1 A 54 54 SER N N 49 116.680 112.755 3.925 1
1 8 . 11 1 1 A 7 7 SER H H 2 8.110 9.264 -1.154 1
1 9 . 11 1 1 A 7 7 SER HA H 2 4.360 4.391 -0.031 1
1 12 . 11 1 1 A 7 7 SER CA C 2 58.690 59.631 -0.941 1
1 13 . 11 1 1 A 7 7 SER CB C 2 63.740 62.486 1.254 1
1 14 . 11 1 1 A 7 7 SER N N 2 115.530 118.108 -2.578 1
1 15 . 11 1 1 A 8 8 PHE H H 3 8.100 8.226 -0.126 1
1 16 . 11 1 1 A 8 8 PHE HA H 3 4.580 4.368 0.212 1
1 21 . 11 1 1 A 8 8 PHE CA C 3 57.940 59.976 -2.036 1
1 22 . 11 1 1 A 8 8 PHE CB C 3 39.440 38.994 0.446 1
1 23 . 11 1 1 A 8 8 PHE N N 3 121.690 119.724 1.966 1
1 24 . 11 1 1 A 9 9 TRP H H 4 7.960 7.699 0.261 1
1 25 . 11 1 1 A 9 9 TRP HA H 4 4.580 4.810 -0.230 1
1 33 . 11 1 1 A 9 9 TRP CA C 4 57.320 58.572 -1.252 1
1 34 . 11 1 1 A 9 9 TRP CB C 4 29.740 31.525 -1.785 1
1 35 . 11 1 1 A 9 9 TRP N N 4 122.750 115.757 6.993 1
1 36 . 11 1 1 A 10 10 ASN H H 5 7.960 8.117 -0.157 1
1 37 . 11 1 1 A 10 10 ASN HA H 5 4.770 5.048 -0.278 1
1 42 . 11 1 1 A 10 10 ASN CA C 5 50.520 49.493 1.027 1
1 43 . 11 1 1 A 10 10 ASN CB C 5 39.570 40.117 -0.547 1
1 44 . 11 1 1 A 10 10 ASN N N 5 122.600 117.219 5.381 1
1 46 . 11 1 1 A 11 11 PRO HA H 6 4.090 4.794 -0.704 1
1 53 . 11 1 1 A 11 11 PRO CA C 6 63.660 64.531 -0.871 1
1 54 . 11 1 1 A 11 11 PRO CB C 6 32.160 32.107 0.053 1
1 57 . 11 1 1 A 12 12 ASN H H 7 8.100 8.210 -0.110 1
1 58 . 11 1 1 A 12 12 ASN HA H 7 4.640 5.116 -0.476 1
1 63 . 11 1 1 A 12 12 ASN CA C 7 53.330 52.157 1.173 1
1 64 . 11 1 1 A 12 12 ASN CB C 7 38.910 38.790 0.120 1
1 65 . 11 1 1 A 12 12 ASN N N 7 116.820 115.306 1.514 1
1 67 . 11 1 1 A 13 13 ALA H H 8 7.760 7.893 -0.133 1
1 68 . 11 1 1 A 13 13 ALA HA H 8 4.190 4.583 -0.393 1
1 72 . 11 1 1 A 13 13 ALA CA C 8 52.840 50.971 1.869 1
1 73 . 11 1 1 A 13 13 ALA CB C 8 19.240 19.298 -0.058 1
1 74 . 11 1 1 A 13 13 ALA N N 8 123.280 125.138 -1.858 1
1 75 . 11 1 1 A 14 14 PHE H H 9 7.980 8.278 -0.298 1
1 76 . 11 1 1 A 14 14 PHE HA H 9 4.680 4.732 -0.052 1
1 81 . 11 1 1 A 14 14 PHE CA C 9 57.310 56.293 1.017 1
1 82 . 11 1 1 A 14 14 PHE CB C 9 39.790 37.378 2.412 1
1 83 . 11 1 1 A 14 14 PHE N N 9 118.120 120.098 -1.978 1
1 84 . 11 1 1 A 15 15 GLU H H 10 8.340 7.715 0.625 1
1 85 . 11 1 1 A 15 15 GLU HA H 10 4.410 4.846 -0.436 1
1 90 . 11 1 1 A 15 15 GLU CA C 10 56.550 55.019 1.531 1
1 91 . 11 1 1 A 15 15 GLU CB C 10 30.750 32.669 -1.919 1
1 93 . 11 1 1 A 15 15 GLU N N 10 122.120 118.060 4.060 1
1 94 . 11 1 1 A 16 16 THR H H 11 8.230 8.492 -0.262 1
1 95 . 11 1 1 A 16 16 THR HA H 11 4.380 4.562 -0.182 1
1 100 . 11 1 1 A 16 16 THR CA C 11 61.900 61.562 0.338 1
1 101 . 11 1 1 A 16 16 THR CB C 11 69.890 69.482 0.408 1
1 103 . 11 1 1 A 16 16 THR N N 11 114.830 115.634 -0.804 1
1 104 . 11 1 1 A 17 17 ASP H H 12 8.480 8.816 -0.336 1
1 105 . 11 1 1 A 17 17 ASP HA H 12 4.710 4.625 0.085 1
1 108 . 11 1 1 A 17 17 ASP CA C 12 54.650 54.843 -0.193 1
1 109 . 11 1 1 A 17 17 ASP CB C 12 41.480 40.824 0.656 1
1 110 . 11 1 1 A 17 17 ASP N N 12 122.650 123.070 -0.420 1
1 111 . 11 1 1 A 18 18 SER H H 13 8.330 8.891 -0.561 1
1 112 . 11 1 1 A 18 18 SER HA H 13 4.430 4.308 0.122 1
1 115 . 11 1 1 A 18 18 SER CA C 13 59.130 60.241 -1.111 1
1 116 . 11 1 1 A 18 18 SER CB C 13 63.900 63.464 0.436 1
1 117 . 11 1 1 A 18 18 SER N N 13 116.280 120.157 -3.877 1
1 118 . 11 1 1 A 19 19 ASP H H 14 8.560 7.626 0.934 1
1 119 . 11 1 1 A 19 19 ASP HA H 14 4.630 5.000 -0.370 1
1 122 . 11 1 1 A 19 19 ASP CA C 14 54.300 53.677 0.623 1
1 123 . 11 1 1 A 19 19 ASP CB C 14 40.820 42.493 -1.673 1
1 124 . 11 1 1 A 19 19 ASP N N 14 121.330 118.832 2.498 1
1 125 . 11 1 1 A 20 20 LEU H H 15 7.990 8.605 -0.615 1
1 126 . 11 1 1 A 20 20 LEU HA H 15 4.630 4.433 0.197 1
1 136 . 11 1 1 A 20 20 LEU CA C 15 52.640 53.359 -0.719 1
1 137 . 11 1 1 A 20 20 LEU CB C 15 42.530 40.940 1.590 1
1 141 . 11 1 1 A 20 20 LEU N N 15 121.650 126.519 -4.869 1
1 142 . 11 1 1 A 21 21 PRO HA H 16 4.570 4.583 -0.013 1
1 149 . 11 1 1 A 21 21 PRO CA C 16 62.080 62.251 -0.171 1
1 150 . 11 1 1 A 21 21 PRO CB C 16 31.760 33.142 -1.382 1
1 153 . 11 1 1 A 22 22 ALA H H 17 8.410 8.333 0.077 1
1 154 . 11 1 1 A 22 22 ALA HA H 17 4.210 4.421 -0.211 1
1 158 . 11 1 1 A 22 22 ALA CA C 17 53.950 53.124 0.826 1
1 159 . 11 1 1 A 22 22 ALA CB C 17 18.650 19.285 -0.635 1
1 160 . 11 1 1 A 22 22 ALA N N 17 122.940 123.401 -0.461 1
1 161 . 11 1 1 A 23 23 GLY H H 18 8.710 8.680 0.030 1
1 162 . 11 1 1 A 23 23 GLY HA2 H 18 3.460 3.815 -0.355 1
1 163 . 11 1 1 A 23 23 GLY HA3 H 18 3.890 3.851 0.039 1
1 164 . 11 1 1 A 23 23 GLY CA C 18 45.110 45.448 -0.338 1
1 165 . 11 1 1 A 23 23 GLY N N 18 110.320 109.812 0.508 1
1 166 . 11 1 1 A 24 24 TRP H H 19 7.810 7.950 -0.140 1
1 167 . 11 1 1 A 24 24 TRP HA H 19 5.520 5.077 0.443 1
1 175 . 11 1 1 A 24 24 TRP CA C 19 57.020 55.898 1.122 1
1 176 . 11 1 1 A 24 24 TRP CB C 19 32.270 33.156 -0.886 1
1 177 . 11 1 1 A 24 24 TRP N N 19 118.390 120.402 -2.012 1
1 178 . 11 1 1 A 25 25 MET H H 20 9.570 9.029 0.541 1
1 179 . 11 1 1 A 25 25 MET HA H 20 4.940 5.331 -0.391 1
1 184 . 11 1 1 A 25 25 MET CA C 20 54.390 54.017 0.373 1
1 185 . 11 1 1 A 25 25 MET CB C 20 37.220 36.899 0.321 1
1 187 . 11 1 1 A 25 25 MET N N 20 119.380 121.000 -1.620 1
1 188 . 11 1 1 A 26 26 ARG H H 21 8.880 8.769 0.111 1
1 189 . 11 1 1 A 26 26 ARG HA H 21 4.490 5.037 -0.547 1
1 196 . 11 1 1 A 26 26 ARG CA C 21 55.570 54.703 0.867 1
1 197 . 11 1 1 A 26 26 ARG CB C 21 31.880 32.591 -0.711 1
1 200 . 11 1 1 A 26 26 ARG N N 21 124.980 123.409 1.571 1
1 201 . 11 1 1 A 27 27 VAL H H 22 8.860 8.201 0.659 1
1 202 . 11 1 1 A 27 27 VAL HA H 22 3.960 4.751 -0.791 1
1 210 . 11 1 1 A 27 27 VAL CA C 22 61.320 59.909 1.411 1
1 211 . 11 1 1 A 27 27 VAL CB C 22 33.470 34.142 -0.672 1
1 214 . 11 1 1 A 27 27 VAL N N 22 128.370 126.167 2.203 1
1 215 . 11 1 1 A 28 28 GLN H H 23 8.230 8.657 -0.427 1
1 216 . 11 1 1 A 28 28 GLN HA H 23 4.980 4.696 0.284 1
1 223 . 11 1 1 A 28 28 GLN CA C 23 54.520 54.190 0.330 1
1 224 . 11 1 1 A 28 28 GLN CB C 23 30.560 29.473 1.087 1
1 226 . 11 1 1 A 28 28 GLN N N 23 123.980 123.920 0.060 1
1 228 . 11 1 1 A 29 29 ASP H H 24 8.710 8.756 -0.046 1
1 229 . 11 1 1 A 29 29 ASP HA H 24 4.900 4.852 0.048 1
1 232 . 11 1 1 A 29 29 ASP CA C 24 53.040 54.173 -1.133 1
1 233 . 11 1 1 A 29 29 ASP CB C 24 42.730 42.047 0.683 1
1 234 . 11 1 1 A 29 29 ASP N N 24 126.160 127.733 -1.573 1
1 235 . 11 1 1 A 30 30 THR H H 25 8.250 8.825 -0.575 1
1 236 . 11 1 1 A 30 30 THR HA H 25 4.120 4.072 0.048 1
1 241 . 11 1 1 A 30 30 THR CA C 25 65.160 64.911 0.249 1
1 242 . 11 1 1 A 30 30 THR CB C 25 68.870 68.504 0.366 1
1 244 . 11 1 1 A 30 30 THR N N 25 112.460 116.711 -4.251 1
1 245 . 11 1 1 A 31 31 SER H H 26 8.940 8.259 0.681 1
1 246 . 11 1 1 A 31 31 SER HA H 26 4.560 4.423 0.137 1
1 249 . 11 1 1 A 31 31 SER CA C 26 59.690 60.176 -0.486 1
1 250 . 11 1 1 A 31 31 SER CB C 26 64.170 63.785 0.385 1
1 251 . 11 1 1 A 31 31 SER N N 26 117.280 116.145 1.135 1
1 252 . 11 1 1 A 32 32 GLY H H 27 7.890 7.541 0.349 1
1 253 . 11 1 1 A 32 32 GLY HA2 H 27 3.950 4.171 -0.221 1
1 254 . 11 1 1 A 32 32 GLY HA3 H 27 4.760 4.258 0.502 1
1 255 . 11 1 1 A 32 32 GLY CA C 27 44.820 45.785 -0.965 1
1 256 . 11 1 1 A 32 32 GLY N N 27 110.950 106.895 4.055 1
1 257 . 11 1 1 A 33 33 THR H H 28 8.460 8.594 -0.134 1
1 258 . 11 1 1 A 33 33 THR HA H 28 5.230 5.193 0.037 1
1 263 . 11 1 1 A 33 33 THR CA C 28 61.750 62.748 -0.998 1
1 264 . 11 1 1 A 33 33 THR CB C 28 70.530 69.372 1.158 1
1 266 . 11 1 1 A 33 33 THR N N 28 117.690 116.721 0.969 1
1 267 . 11 1 1 A 34 34 TYR H H 29 8.700 8.498 0.202 1
1 268 . 11 1 1 A 34 34 TYR HA H 29 4.670 4.869 -0.199 1
1 275 . 11 1 1 A 34 34 TYR CA C 29 55.500 54.998 0.502 1
1 276 . 11 1 1 A 34 34 TYR CB C 29 38.140 40.585 -2.445 1
1 277 . 11 1 1 A 34 34 TYR N N 29 123.420 124.823 -1.403 1
1 278 . 11 1 1 A 35 35 TYR H H 30 8.920 8.243 0.677 1
1 279 . 11 1 1 A 35 35 TYR HA H 30 5.330 5.714 -0.384 1
1 286 . 11 1 1 A 35 35 TYR CA C 30 57.550 56.551 0.999 1
1 287 . 11 1 1 A 35 35 TYR CB C 30 41.270 42.266 -0.996 1
1 288 . 11 1 1 A 35 35 TYR N N 30 116.920 116.320 0.600 1
1 289 . 11 1 1 A 36 36 TRP H H 31 9.580 8.967 0.613 1
1 290 . 11 1 1 A 36 36 TRP HA H 31 5.740 5.585 0.155 1
1 299 . 11 1 1 A 36 36 TRP CA C 31 54.290 55.640 -1.350 1
1 300 . 11 1 1 A 36 36 TRP CB C 31 33.420 31.472 1.948 1
1 301 . 11 1 1 A 36 36 TRP N N 31 126.100 124.939 1.161 1
1 303 . 11 1 1 A 37 37 HIS H H 32 8.950 9.022 -0.072 1
1 304 . 11 1 1 A 37 37 HIS HA H 32 3.940 3.812 0.128 1
1 309 . 11 1 1 A 37 37 HIS CA C 32 55.050 54.744 0.306 1
1 310 . 11 1 1 A 37 37 HIS CB C 32 29.110 29.434 -0.324 1
1 311 . 11 1 1 A 37 37 HIS N N 32 130.940 126.917 4.023 1
1 312 . 11 1 1 A 38 38 ILE H H 33 8.130 8.101 0.029 1
1 313 . 11 1 1 A 38 38 ILE HA H 33 2.920 3.219 -0.299 1
1 323 . 11 1 1 A 38 38 ILE CA C 33 65.700 65.963 -0.263 1
1 324 . 11 1 1 A 38 38 ILE CB C 33 35.350 35.046 0.304 1
1 328 . 11 1 1 A 38 38 ILE N N 33 127.650 127.086 0.564 1
1 329 . 11 1 1 A 39 39 PRO HA H 34 4.120 4.121 -0.001 1
1 336 . 11 1 1 A 39 39 PRO CA C 34 65.700 66.077 -0.377 1
1 337 . 11 1 1 A 39 39 PRO CB C 34 32.150 30.553 1.597 1
1 340 . 11 1 1 A 40 40 THR H H 35 6.470 7.122 -0.652 1
1 341 . 11 1 1 A 40 40 THR HA H 35 4.510 4.057 0.453 1
1 346 . 11 1 1 A 40 40 THR CA C 35 61.240 62.231 -0.991 1
1 347 . 11 1 1 A 40 40 THR CB C 35 72.280 70.078 2.202 1
1 349 . 11 1 1 A 40 40 THR N N 35 100.770 109.132 -8.362 1
1 350 . 11 1 1 A 41 41 GLY H H 36 8.530 7.712 0.818 1
1 351 . 11 1 1 A 41 41 GLY HA2 H 36 3.660 4.029 -0.369 1
1 352 . 11 1 1 A 41 41 GLY HA3 H 36 4.210 4.162 0.048 1
1 353 . 11 1 1 A 41 41 GLY CA C 36 46.220 45.810 0.410 1
1 354 . 11 1 1 A 41 41 GLY N N 36 113.280 112.118 1.162 1
1 355 . 11 1 1 A 42 42 THR H H 37 7.460 7.704 -0.244 1
1 356 . 11 1 1 A 42 42 THR HA H 37 4.260 4.549 -0.289 1
1 361 . 11 1 1 A 42 42 THR CA C 37 63.660 62.393 1.267 1
1 362 . 11 1 1 A 42 42 THR CB C 37 69.960 69.751 0.209 1
1 364 . 11 1 1 A 42 42 THR N N 37 115.720 117.308 -1.588 1
1 365 . 11 1 1 A 43 43 THR H H 38 8.420 9.008 -0.588 1
1 366 . 11 1 1 A 43 43 THR HA H 38 5.920 5.565 0.355 1
1 371 . 11 1 1 A 43 43 THR CA C 38 59.560 59.417 0.143 1
1 372 . 11 1 1 A 43 43 THR CB C 38 72.140 72.098 0.042 1
1 374 . 11 1 1 A 43 43 THR N N 38 116.010 114.126 1.884 1
1 375 . 11 1 1 A 44 44 GLN H H 39 9.180 8.484 0.696 1
1 376 . 11 1 1 A 44 44 GLN HA H 39 4.930 5.109 -0.179 1
1 383 . 11 1 1 A 44 44 GLN CA C 39 54.890 53.944 0.946 1
1 384 . 11 1 1 A 44 44 GLN CB C 39 32.550 32.959 -0.409 1
1 386 . 11 1 1 A 44 44 GLN N N 39 116.860 118.757 -1.897 1
1 388 . 11 1 1 A 45 45 TRP H H 40 8.890 8.812 0.078 1
1 389 . 11 1 1 A 45 45 TRP HA H 40 4.820 5.176 -0.356 1
1 397 . 11 1 1 A 45 45 TRP CA C 40 59.410 57.274 2.136 1
1 398 . 11 1 1 A 45 45 TRP CB C 40 30.270 31.169 -0.899 1
1 399 . 11 1 1 A 45 45 TRP N N 40 121.200 119.394 1.806 1
1 400 . 11 1 1 A 46 46 GLU H H 41 7.970 8.108 -0.138 1
1 401 . 11 1 1 A 46 46 GLU HA H 41 4.720 4.824 -0.104 1
1 406 . 11 1 1 A 46 46 GLU CA C 41 54.070 53.428 0.642 1
1 407 . 11 1 1 A 46 46 GLU CB C 41 29.640 30.767 -1.127 1
1 409 . 11 1 1 A 46 46 GLU N N 41 119.500 119.696 -0.196 1
1 410 . 11 1 1 A 47 47 PRO HA H 42 2.900 4.191 -1.291 1
1 417 . 11 1 1 A 47 47 PRO CA C 42 60.700 62.123 -1.423 1
1 418 . 11 1 1 A 47 47 PRO CB C 42 29.760 31.627 -1.867 1
1 421 . 11 1 1 A 48 48 PRO HA H 43 3.770 3.926 -0.156 1
1 428 . 11 1 1 A 48 48 PRO CA C 43 61.890 64.918 -3.028 1
1 429 . 11 1 1 A 48 48 PRO CB C 43 30.880 31.063 -0.183 1
1 432 . 11 1 1 A 49 49 GLY H H 44 8.020 7.764 0.256 1
1 433 . 11 1 1 A 49 49 GLY HA2 H 44 3.770 3.716 0.054 1
1 434 . 11 1 1 A 49 49 GLY HA3 H 44 3.770 3.724 0.046 1
1 435 . 11 1 1 A 49 49 GLY CA C 44 44.770 45.540 -0.770 1
1 436 . 11 1 1 A 49 49 GLY N N 44 107.850 109.016 -1.166 1
1 437 . 11 1 1 A 50 50 ARG H H 45 7.980 8.530 -0.550 1
1 438 . 11 1 1 A 50 50 ARG HA H 45 4.280 4.490 -0.210 1
1 445 . 11 1 1 A 50 50 ARG CA C 45 55.730 56.980 -1.250 1
1 446 . 11 1 1 A 50 50 ARG CB C 45 31.150 31.938 -0.788 1
1 449 . 11 1 1 A 50 50 ARG N N 45 119.870 123.051 -3.181 1
1 450 . 11 1 1 A 51 51 ALA H H 46 8.340 7.926 0.414 1
1 451 . 11 1 1 A 51 51 ALA HA H 46 4.330 4.308 0.022 1
1 455 . 11 1 1 A 51 51 ALA CA C 46 52.290 51.994 0.296 1
1 456 . 11 1 1 A 51 51 ALA CB C 46 19.450 19.891 -0.441 1
1 457 . 11 1 1 A 51 51 ALA N N 46 125.360 122.745 2.615 1
1 458 . 11 1 1 A 52 52 SER H H 47 8.360 8.427 -0.067 1
1 459 . 11 1 1 A 52 52 SER HA H 47 4.730 4.963 -0.233 1
1 462 . 11 1 1 A 52 52 SER CA C 47 56.520 54.970 1.550 1
1 463 . 11 1 1 A 52 52 SER CB C 47 63.460 64.418 -0.958 1
1 464 . 11 1 1 A 52 52 SER N N 47 117.200 110.880 6.320 1
1 465 . 11 1 1 A 53 53 PRO HA H 48 4.490 4.724 -0.234 1
1 472 . 11 1 1 A 53 53 PRO CA C 48 63.450 62.716 0.734 1
1 473 . 11 1 1 A 53 53 PRO CB C 48 32.280 31.769 0.511 1
1 476 . 11 1 1 A 54 54 SER H H 49 8.420 8.500 -0.080 1
1 477 . 11 1 1 A 54 54 SER HA H 49 4.440 4.989 -0.549 1
1 480 . 11 1 1 A 54 54 SER CA C 49 58.490 57.434 1.056 1
1 481 . 11 1 1 A 54 54 SER CB C 49 63.990 66.665 -2.675 1
1 482 . 11 1 1 A 54 54 SER N N 49 116.680 118.861 -2.181 1
1 8 . 12 1 1 A 7 7 SER H H 2 8.110 8.673 -0.563 1
1 9 . 12 1 1 A 7 7 SER HA H 2 4.360 4.728 -0.368 1
1 12 . 12 1 1 A 7 7 SER CA C 2 58.690 55.891 2.799 1
1 13 . 12 1 1 A 7 7 SER CB C 2 63.740 65.658 -1.918 1
1 14 . 12 1 1 A 7 7 SER N N 2 115.530 119.212 -3.682 1
1 15 . 12 1 1 A 8 8 PHE H H 3 8.100 8.342 -0.242 1
1 16 . 12 1 1 A 8 8 PHE HA H 3 4.580 4.977 -0.397 1
1 21 . 12 1 1 A 8 8 PHE CA C 3 57.940 57.154 0.786 1
1 22 . 12 1 1 A 8 8 PHE CB C 3 39.440 41.052 -1.612 1
1 23 . 12 1 1 A 8 8 PHE N N 3 121.690 120.619 1.071 1
1 24 . 12 1 1 A 9 9 TRP H H 4 7.960 8.869 -0.909 1
1 25 . 12 1 1 A 9 9 TRP HA H 4 4.580 4.611 -0.031 1
1 33 . 12 1 1 A 9 9 TRP CA C 4 57.320 58.908 -1.588 1
1 34 . 12 1 1 A 9 9 TRP CB C 4 29.740 30.458 -0.718 1
1 35 . 12 1 1 A 9 9 TRP N N 4 122.750 121.036 1.714 1
1 36 . 12 1 1 A 10 10 ASN H H 5 7.960 8.753 -0.793 1
1 37 . 12 1 1 A 10 10 ASN HA H 5 4.770 4.892 -0.122 1
1 42 . 12 1 1 A 10 10 ASN CA C 5 50.520 51.388 -0.868 1
1 43 . 12 1 1 A 10 10 ASN CB C 5 39.570 38.133 1.437 1
1 44 . 12 1 1 A 10 10 ASN N N 5 122.600 122.965 -0.365 1
1 46 . 12 1 1 A 11 11 PRO HA H 6 4.090 4.570 -0.480 1
1 53 . 12 1 1 A 11 11 PRO CA C 6 63.660 64.698 -1.038 1
1 54 . 12 1 1 A 11 11 PRO CB C 6 32.160 32.142 0.018 1
1 57 . 12 1 1 A 12 12 ASN H H 7 8.100 8.911 -0.811 1
1 58 . 12 1 1 A 12 12 ASN HA H 7 4.640 4.754 -0.114 1
1 63 . 12 1 1 A 12 12 ASN CA C 7 53.330 53.104 0.226 1
1 64 . 12 1 1 A 12 12 ASN CB C 7 38.910 37.656 1.254 1
1 65 . 12 1 1 A 12 12 ASN N N 7 116.820 114.416 2.404 1
1 67 . 12 1 1 A 13 13 ALA H H 8 7.760 7.647 0.113 1
1 68 . 12 1 1 A 13 13 ALA HA H 8 4.190 4.065 0.125 1
1 72 . 12 1 1 A 13 13 ALA CA C 8 52.840 54.666 -1.826 1
1 73 . 12 1 1 A 13 13 ALA CB C 8 19.240 18.761 0.479 1
1 74 . 12 1 1 A 13 13 ALA N N 8 123.280 123.431 -0.151 1
1 75 . 12 1 1 A 14 14 PHE H H 9 7.980 7.941 0.039 1
1 76 . 12 1 1 A 14 14 PHE HA H 9 4.680 4.809 -0.129 1
1 81 . 12 1 1 A 14 14 PHE CA C 9 57.310 55.862 1.448 1
1 82 . 12 1 1 A 14 14 PHE CB C 9 39.790 39.714 0.076 1
1 83 . 12 1 1 A 14 14 PHE N N 9 118.120 119.607 -1.487 1
1 84 . 12 1 1 A 15 15 GLU H H 10 8.340 8.444 -0.104 1
1 85 . 12 1 1 A 15 15 GLU HA H 10 4.410 4.807 -0.397 1
1 90 . 12 1 1 A 15 15 GLU CA C 10 56.550 55.221 1.329 1
1 91 . 12 1 1 A 15 15 GLU CB C 10 30.750 32.550 -1.800 1
1 93 . 12 1 1 A 15 15 GLU N N 10 122.120 126.378 -4.258 1
1 94 . 12 1 1 A 16 16 THR H H 11 8.230 8.522 -0.292 1
1 95 . 12 1 1 A 16 16 THR HA H 11 4.380 4.498 -0.118 1
1 100 . 12 1 1 A 16 16 THR CA C 11 61.900 61.609 0.291 1
1 101 . 12 1 1 A 16 16 THR CB C 11 69.890 69.196 0.694 1
1 103 . 12 1 1 A 16 16 THR N N 11 114.830 115.932 -1.102 1
1 104 . 12 1 1 A 17 17 ASP H H 12 8.480 8.433 0.047 1
1 105 . 12 1 1 A 17 17 ASP HA H 12 4.710 4.580 0.130 1
1 108 . 12 1 1 A 17 17 ASP CA C 12 54.650 54.569 0.081 1
1 109 . 12 1 1 A 17 17 ASP CB C 12 41.480 41.351 0.129 1
1 110 . 12 1 1 A 17 17 ASP N N 12 122.650 123.359 -0.709 1
1 111 . 12 1 1 A 18 18 SER H H 13 8.330 8.934 -0.604 1
1 112 . 12 1 1 A 18 18 SER HA H 13 4.430 4.525 -0.095 1
1 115 . 12 1 1 A 18 18 SER CA C 13 59.130 58.931 0.199 1
1 116 . 12 1 1 A 18 18 SER CB C 13 63.900 63.483 0.417 1
1 117 . 12 1 1 A 18 18 SER N N 13 116.280 113.826 2.454 1
1 118 . 12 1 1 A 19 19 ASP H H 14 8.560 7.814 0.746 1
1 119 . 12 1 1 A 19 19 ASP HA H 14 4.630 4.796 -0.166 1
1 122 . 12 1 1 A 19 19 ASP CA C 14 54.300 53.960 0.340 1
1 123 . 12 1 1 A 19 19 ASP CB C 14 40.820 40.735 0.085 1
1 124 . 12 1 1 A 19 19 ASP N N 14 121.330 119.806 1.524 1
1 125 . 12 1 1 A 20 20 LEU H H 15 7.990 8.706 -0.716 1
1 126 . 12 1 1 A 20 20 LEU HA H 15 4.630 4.716 -0.086 1
1 136 . 12 1 1 A 20 20 LEU CA C 15 52.640 52.565 0.075 1
1 137 . 12 1 1 A 20 20 LEU CB C 15 42.530 41.838 0.692 1
1 141 . 12 1 1 A 20 20 LEU N N 15 121.650 125.471 -3.821 1
1 142 . 12 1 1 A 21 21 PRO HA H 16 4.570 4.613 -0.043 1
1 149 . 12 1 1 A 21 21 PRO CA C 16 62.080 62.345 -0.265 1
1 150 . 12 1 1 A 21 21 PRO CB C 16 31.760 33.177 -1.417 1
1 153 . 12 1 1 A 22 22 ALA H H 17 8.410 8.347 0.063 1
1 154 . 12 1 1 A 22 22 ALA HA H 17 4.210 4.279 -0.069 1
1 158 . 12 1 1 A 22 22 ALA CA C 17 53.950 53.254 0.696 1
1 159 . 12 1 1 A 22 22 ALA CB C 17 18.650 19.038 -0.388 1
1 160 . 12 1 1 A 22 22 ALA N N 17 122.940 123.388 -0.448 1
1 161 . 12 1 1 A 23 23 GLY H H 18 8.710 8.765 -0.055 1
1 162 . 12 1 1 A 23 23 GLY HA2 H 18 3.460 3.827 -0.367 1
1 163 . 12 1 1 A 23 23 GLY HA3 H 18 3.890 3.863 0.027 1
1 164 . 12 1 1 A 23 23 GLY CA C 18 45.110 45.135 -0.025 1
1 165 . 12 1 1 A 23 23 GLY N N 18 110.320 110.557 -0.237 1
1 166 . 12 1 1 A 24 24 TRP H H 19 7.810 7.921 -0.111 1
1 167 . 12 1 1 A 24 24 TRP HA H 19 5.520 5.065 0.455 1
1 175 . 12 1 1 A 24 24 TRP CA C 19 57.020 56.342 0.678 1
1 176 . 12 1 1 A 24 24 TRP CB C 19 32.270 32.474 -0.204 1
1 177 . 12 1 1 A 24 24 TRP N N 19 118.390 120.584 -2.194 1
1 178 . 12 1 1 A 25 25 MET H H 20 9.570 8.978 0.592 1
1 179 . 12 1 1 A 25 25 MET HA H 20 4.940 5.364 -0.424 1
1 184 . 12 1 1 A 25 25 MET CA C 20 54.390 54.154 0.236 1
1 185 . 12 1 1 A 25 25 MET CB C 20 37.220 36.855 0.365 1
1 187 . 12 1 1 A 25 25 MET N N 20 119.380 121.434 -2.054 1
1 188 . 12 1 1 A 26 26 ARG H H 21 8.880 8.761 0.119 1
1 189 . 12 1 1 A 26 26 ARG HA H 21 4.490 4.844 -0.354 1
1 196 . 12 1 1 A 26 26 ARG CA C 21 55.570 54.578 0.992 1
1 197 . 12 1 1 A 26 26 ARG CB C 21 31.880 32.196 -0.316 1
1 200 . 12 1 1 A 26 26 ARG N N 21 124.980 123.428 1.552 1
1 201 . 12 1 1 A 27 27 VAL H H 22 8.860 8.150 0.710 1
1 202 . 12 1 1 A 27 27 VAL HA H 22 3.960 4.672 -0.712 1
1 210 . 12 1 1 A 27 27 VAL CA C 22 61.320 60.353 0.967 1
1 211 . 12 1 1 A 27 27 VAL CB C 22 33.470 33.765 -0.295 1
1 214 . 12 1 1 A 27 27 VAL N N 22 128.370 126.526 1.844 1
1 215 . 12 1 1 A 28 28 GLN H H 23 8.230 8.831 -0.601 1
1 216 . 12 1 1 A 28 28 GLN HA H 23 4.980 4.972 0.008 1
1 223 . 12 1 1 A 28 28 GLN CA C 23 54.520 54.558 -0.038 1
1 224 . 12 1 1 A 28 28 GLN CB C 23 30.560 29.269 1.291 1
1 226 . 12 1 1 A 28 28 GLN N N 23 123.980 122.267 1.713 1
1 228 . 12 1 1 A 29 29 ASP H H 24 8.710 8.404 0.306 1
1 229 . 12 1 1 A 29 29 ASP HA H 24 4.900 4.889 0.011 1
1 232 . 12 1 1 A 29 29 ASP CA C 24 53.040 52.943 0.097 1
1 233 . 12 1 1 A 29 29 ASP CB C 24 42.730 41.394 1.336 1
1 234 . 12 1 1 A 29 29 ASP N N 24 126.160 122.335 3.825 1
1 235 . 12 1 1 A 30 30 THR H H 25 8.250 8.515 -0.265 1
1 236 . 12 1 1 A 30 30 THR HA H 25 4.120 4.411 -0.291 1
1 241 . 12 1 1 A 30 30 THR CA C 25 65.160 61.638 3.522 1
1 242 . 12 1 1 A 30 30 THR CB C 25 68.870 68.563 0.307 1
1 244 . 12 1 1 A 30 30 THR N N 25 112.460 112.420 0.040 1
1 245 . 12 1 1 A 31 31 SER H H 26 8.940 8.199 0.741 1
1 246 . 12 1 1 A 31 31 SER HA H 26 4.560 4.817 -0.257 1
1 249 . 12 1 1 A 31 31 SER CA C 26 59.690 58.668 1.022 1
1 250 . 12 1 1 A 31 31 SER CB C 26 64.170 66.395 -2.225 1
1 251 . 12 1 1 A 31 31 SER N N 26 117.280 115.788 1.492 1
1 252 . 12 1 1 A 32 32 GLY H H 27 7.890 7.454 0.436 1
1 253 . 12 1 1 A 32 32 GLY HA2 H 27 3.950 4.138 -0.188 1
1 254 . 12 1 1 A 32 32 GLY HA3 H 27 4.760 4.281 0.479 1
1 255 . 12 1 1 A 32 32 GLY CA C 27 44.820 45.834 -1.014 1
1 256 . 12 1 1 A 32 32 GLY N N 27 110.950 105.575 5.375 1
1 257 . 12 1 1 A 33 33 THR H H 28 8.460 8.689 -0.229 1
1 258 . 12 1 1 A 33 33 THR HA H 28 5.230 5.129 0.101 1
1 263 . 12 1 1 A 33 33 THR CA C 28 61.750 62.888 -1.138 1
1 264 . 12 1 1 A 33 33 THR CB C 28 70.530 68.882 1.648 1
1 266 . 12 1 1 A 33 33 THR N N 28 117.690 115.903 1.787 1
1 267 . 12 1 1 A 34 34 TYR H H 29 8.700 8.579 0.121 1
1 268 . 12 1 1 A 34 34 TYR HA H 29 4.670 5.009 -0.339 1
1 275 . 12 1 1 A 34 34 TYR CA C 29 55.500 55.152 0.348 1
1 276 . 12 1 1 A 34 34 TYR CB C 29 38.140 40.641 -2.501 1
1 277 . 12 1 1 A 34 34 TYR N N 29 123.420 124.918 -1.498 1
1 278 . 12 1 1 A 35 35 TYR H H 30 8.920 8.734 0.186 1
1 279 . 12 1 1 A 35 35 TYR HA H 30 5.330 5.772 -0.442 1
1 286 . 12 1 1 A 35 35 TYR CA C 30 57.550 56.557 0.993 1
1 287 . 12 1 1 A 35 35 TYR CB C 30 41.270 42.013 -0.743 1
1 288 . 12 1 1 A 35 35 TYR N N 30 116.920 116.549 0.371 1
1 289 . 12 1 1 A 36 36 TRP H H 31 9.580 8.986 0.594 1
1 290 . 12 1 1 A 36 36 TRP HA H 31 5.740 5.600 0.140 1
1 299 . 12 1 1 A 36 36 TRP CA C 31 54.290 55.404 -1.114 1
1 300 . 12 1 1 A 36 36 TRP CB C 31 33.420 31.540 1.880 1
1 301 . 12 1 1 A 36 36 TRP N N 31 126.100 124.984 1.116 1
1 303 . 12 1 1 A 37 37 HIS H H 32 8.950 8.998 -0.048 1
1 304 . 12 1 1 A 37 37 HIS HA H 32 3.940 3.973 -0.033 1
1 309 . 12 1 1 A 37 37 HIS CA C 32 55.050 55.034 0.016 1
1 310 . 12 1 1 A 37 37 HIS CB C 32 29.110 29.232 -0.122 1
1 311 . 12 1 1 A 37 37 HIS N N 32 130.940 126.879 4.061 1
1 312 . 12 1 1 A 38 38 ILE H H 33 8.130 8.065 0.065 1
1 313 . 12 1 1 A 38 38 ILE HA H 33 2.920 3.234 -0.314 1
1 323 . 12 1 1 A 38 38 ILE CA C 33 65.700 65.973 -0.273 1
1 324 . 12 1 1 A 38 38 ILE CB C 33 35.350 34.862 0.488 1
1 328 . 12 1 1 A 38 38 ILE N N 33 127.650 126.408 1.242 1
1 329 . 12 1 1 A 39 39 PRO HA H 34 4.120 4.130 -0.010 1
1 336 . 12 1 1 A 39 39 PRO CA C 34 65.700 65.778 -0.078 1
1 337 . 12 1 1 A 39 39 PRO CB C 34 32.150 30.344 1.806 1
1 340 . 12 1 1 A 40 40 THR H H 35 6.470 7.121 -0.651 1
1 341 . 12 1 1 A 40 40 THR HA H 35 4.510 4.067 0.443 1
1 346 . 12 1 1 A 40 40 THR CA C 35 61.240 62.249 -1.009 1
1 347 . 12 1 1 A 40 40 THR CB C 35 72.280 70.069 2.211 1
1 349 . 12 1 1 A 40 40 THR N N 35 100.770 109.017 -8.247 1
1 350 . 12 1 1 A 41 41 GLY H H 36 8.530 7.980 0.550 1
1 351 . 12 1 1 A 41 41 GLY HA2 H 36 3.660 3.989 -0.329 1
1 352 . 12 1 1 A 41 41 GLY HA3 H 36 4.210 4.100 0.110 1
1 353 . 12 1 1 A 41 41 GLY CA C 36 46.220 45.237 0.983 1
1 354 . 12 1 1 A 41 41 GLY N N 36 113.280 111.005 2.275 1
1 355 . 12 1 1 A 42 42 THR H H 37 7.460 7.264 0.196 1
1 356 . 12 1 1 A 42 42 THR HA H 37 4.260 4.450 -0.190 1
1 361 . 12 1 1 A 42 42 THR CA C 37 63.660 62.744 0.916 1
1 362 . 12 1 1 A 42 42 THR CB C 37 69.960 69.914 0.046 1
1 364 . 12 1 1 A 42 42 THR N N 37 115.720 115.595 0.125 1
1 365 . 12 1 1 A 43 43 THR H H 38 8.420 8.825 -0.405 1
1 366 . 12 1 1 A 43 43 THR HA H 38 5.920 5.458 0.462 1
1 371 . 12 1 1 A 43 43 THR CA C 38 59.560 60.028 -0.468 1
1 372 . 12 1 1 A 43 43 THR CB C 38 72.140 71.859 0.281 1
1 374 . 12 1 1 A 43 43 THR N N 38 116.010 113.798 2.212 1
1 375 . 12 1 1 A 44 44 GLN H H 39 9.180 8.337 0.843 1
1 376 . 12 1 1 A 44 44 GLN HA H 39 4.930 4.990 -0.060 1
1 383 . 12 1 1 A 44 44 GLN CA C 39 54.890 53.904 0.986 1
1 384 . 12 1 1 A 44 44 GLN CB C 39 32.550 32.579 -0.029 1
1 386 . 12 1 1 A 44 44 GLN N N 39 116.860 118.543 -1.683 1
1 388 . 12 1 1 A 45 45 TRP H H 40 8.890 8.557 0.333 1
1 389 . 12 1 1 A 45 45 TRP HA H 40 4.820 5.071 -0.251 1
1 397 . 12 1 1 A 45 45 TRP CA C 40 59.410 58.347 1.063 1
1 398 . 12 1 1 A 45 45 TRP CB C 40 30.270 31.812 -1.542 1
1 399 . 12 1 1 A 45 45 TRP N N 40 121.200 119.859 1.341 1
1 400 . 12 1 1 A 46 46 GLU H H 41 7.970 8.216 -0.246 1
1 401 . 12 1 1 A 46 46 GLU HA H 41 4.720 4.853 -0.133 1
1 406 . 12 1 1 A 46 46 GLU CA C 41 54.070 54.210 -0.140 1
1 407 . 12 1 1 A 46 46 GLU CB C 41 29.640 29.978 -0.338 1
1 409 . 12 1 1 A 46 46 GLU N N 41 119.500 118.201 1.299 1
1 410 . 12 1 1 A 47 47 PRO HA H 42 2.900 3.436 -0.536 1
1 417 . 12 1 1 A 47 47 PRO CA C 42 60.700 61.667 -0.967 1
1 418 . 12 1 1 A 47 47 PRO CB C 42 29.760 31.504 -1.744 1
1 421 . 12 1 1 A 48 48 PRO HA H 43 3.770 4.002 -0.232 1
1 428 . 12 1 1 A 48 48 PRO CA C 43 61.890 63.805 -1.915 1
1 429 . 12 1 1 A 48 48 PRO CB C 43 30.880 30.874 0.006 1
1 432 . 12 1 1 A 49 49 GLY H H 44 8.020 8.053 -0.033 1
1 433 . 12 1 1 A 49 49 GLY HA2 H 44 3.770 3.631 0.139 1
1 434 . 12 1 1 A 49 49 GLY HA3 H 44 3.770 3.631 0.139 1
1 435 . 12 1 1 A 49 49 GLY CA C 44 44.770 46.605 -1.835 1
1 436 . 12 1 1 A 49 49 GLY N N 44 107.850 106.393 1.457 1
1 437 . 12 1 1 A 50 50 ARG H H 45 7.980 7.493 0.487 1
1 438 . 12 1 1 A 50 50 ARG HA H 45 4.280 4.430 -0.150 1
1 445 . 12 1 1 A 50 50 ARG CA C 45 55.730 55.233 0.497 1
1 446 . 12 1 1 A 50 50 ARG CB C 45 31.150 30.338 0.812 1
1 449 . 12 1 1 A 50 50 ARG N N 45 119.870 119.552 0.318 1
1 450 . 12 1 1 A 51 51 ALA H H 46 8.340 8.623 -0.283 1
1 451 . 12 1 1 A 51 51 ALA HA H 46 4.330 4.467 -0.137 1
1 455 . 12 1 1 A 51 51 ALA CA C 46 52.290 50.873 1.417 1
1 456 . 12 1 1 A 51 51 ALA CB C 46 19.450 17.849 1.601 1
1 457 . 12 1 1 A 51 51 ALA N N 46 125.360 129.173 -3.813 1
1 458 . 12 1 1 A 52 52 SER H H 47 8.360 8.063 0.297 1
1 459 . 12 1 1 A 52 52 SER HA H 47 4.730 4.084 0.646 1
1 462 . 12 1 1 A 52 52 SER CA C 47 56.520 58.903 -2.383 1
1 463 . 12 1 1 A 52 52 SER CB C 47 63.460 60.608 2.852 1
1 464 . 12 1 1 A 52 52 SER N N 47 117.200 110.770 6.430 1
1 465 . 12 1 1 A 53 53 PRO HA H 48 4.490 4.674 -0.184 1
1 472 . 12 1 1 A 53 53 PRO CA C 48 63.450 62.605 0.845 1
1 473 . 12 1 1 A 53 53 PRO CB C 48 32.280 30.712 1.568 1
1 476 . 12 1 1 A 54 54 SER H H 49 8.420 8.257 0.163 1
1 477 . 12 1 1 A 54 54 SER HA H 49 4.440 5.183 -0.743 1
1 480 . 12 1 1 A 54 54 SER CA C 49 58.490 56.790 1.700 1
1 481 . 12 1 1 A 54 54 SER CB C 49 63.990 66.825 -2.835 1
1 482 . 12 1 1 A 54 54 SER N N 49 116.680 117.899 -1.219 1
1 8 . 13 1 1 A 7 7 SER H H 2 8.110 8.545 -0.435 1
1 9 . 13 1 1 A 7 7 SER HA H 2 4.360 4.492 -0.132 1
1 12 . 13 1 1 A 7 7 SER CA C 2 58.690 59.649 -0.959 1
1 13 . 13 1 1 A 7 7 SER CB C 2 63.740 64.154 -0.414 1
1 14 . 13 1 1 A 7 7 SER N N 2 115.530 116.299 -0.769 1
1 15 . 13 1 1 A 8 8 PHE H H 3 8.100 8.840 -0.740 1
1 16 . 13 1 1 A 8 8 PHE HA H 3 4.580 5.343 -0.763 1
1 21 . 13 1 1 A 8 8 PHE CA C 3 57.940 55.947 1.993 1
1 22 . 13 1 1 A 8 8 PHE CB C 3 39.440 42.438 -2.998 1
1 23 . 13 1 1 A 8 8 PHE N N 3 121.690 124.787 -3.097 1
1 24 . 13 1 1 A 9 9 TRP H H 4 7.960 8.637 -0.677 1
1 25 . 13 1 1 A 9 9 TRP HA H 4 4.580 4.554 0.026 1
1 33 . 13 1 1 A 9 9 TRP CA C 4 57.320 58.772 -1.452 1
1 34 . 13 1 1 A 9 9 TRP CB C 4 29.740 30.236 -0.496 1
1 35 . 13 1 1 A 9 9 TRP N N 4 122.750 126.797 -4.047 1
1 36 . 13 1 1 A 10 10 ASN H H 5 7.960 8.993 -1.033 1
1 37 . 13 1 1 A 10 10 ASN HA H 5 4.770 5.159 -0.389 1
1 42 . 13 1 1 A 10 10 ASN CA C 5 50.520 51.274 -0.754 1
1 43 . 13 1 1 A 10 10 ASN CB C 5 39.570 38.221 1.349 1
1 44 . 13 1 1 A 10 10 ASN N N 5 122.600 122.138 0.462 1
1 46 . 13 1 1 A 11 11 PRO HA H 6 4.090 4.375 -0.285 1
1 53 . 13 1 1 A 11 11 PRO CA C 6 63.660 64.605 -0.945 1
1 54 . 13 1 1 A 11 11 PRO CB C 6 32.160 32.093 0.067 1
1 57 . 13 1 1 A 12 12 ASN H H 7 8.100 7.964 0.136 1
1 58 . 13 1 1 A 12 12 ASN HA H 7 4.640 4.514 0.126 1
1 63 . 13 1 1 A 12 12 ASN CA C 7 53.330 56.353 -3.023 1
1 64 . 13 1 1 A 12 12 ASN CB C 7 38.910 38.439 0.471 1
1 65 . 13 1 1 A 12 12 ASN N N 7 116.820 115.966 0.854 1
1 67 . 13 1 1 A 13 13 ALA H H 8 7.760 7.792 -0.032 1
1 68 . 13 1 1 A 13 13 ALA HA H 8 4.190 4.011 0.179 1
1 72 . 13 1 1 A 13 13 ALA CA C 8 52.840 54.340 -1.500 1
1 73 . 13 1 1 A 13 13 ALA CB C 8 19.240 17.954 1.286 1
1 74 . 13 1 1 A 13 13 ALA N N 8 123.280 120.749 2.531 1
1 75 . 13 1 1 A 14 14 PHE H H 9 7.980 8.608 -0.628 1
1 76 . 13 1 1 A 14 14 PHE HA H 9 4.680 4.603 0.077 1
1 81 . 13 1 1 A 14 14 PHE CA C 9 57.310 59.303 -1.993 1
1 82 . 13 1 1 A 14 14 PHE CB C 9 39.790 39.684 0.106 1
1 83 . 13 1 1 A 14 14 PHE N N 9 118.120 119.032 -0.912 1
1 84 . 13 1 1 A 15 15 GLU H H 10 8.340 9.102 -0.762 1
1 85 . 13 1 1 A 15 15 GLU HA H 10 4.410 5.050 -0.640 1
1 90 . 13 1 1 A 15 15 GLU CA C 10 56.550 54.579 1.971 1
1 91 . 13 1 1 A 15 15 GLU CB C 10 30.750 33.380 -2.630 1
1 93 . 13 1 1 A 15 15 GLU N N 10 122.120 123.026 -0.906 1
1 94 . 13 1 1 A 16 16 THR H H 11 8.230 8.576 -0.346 1
1 95 . 13 1 1 A 16 16 THR HA H 11 4.380 4.708 -0.328 1
1 100 . 13 1 1 A 16 16 THR CA C 11 61.900 61.139 0.761 1
1 101 . 13 1 1 A 16 16 THR CB C 11 69.890 70.364 -0.474 1
1 103 . 13 1 1 A 16 16 THR N N 11 114.830 115.333 -0.503 1
1 104 . 13 1 1 A 17 17 ASP H H 12 8.480 9.067 -0.587 1
1 105 . 13 1 1 A 17 17 ASP HA H 12 4.710 4.351 0.359 1
1 108 . 13 1 1 A 17 17 ASP CA C 12 54.650 54.814 -0.164 1
1 109 . 13 1 1 A 17 17 ASP CB C 12 41.480 39.396 2.084 1
1 110 . 13 1 1 A 17 17 ASP N N 12 122.650 124.129 -1.479 1
1 111 . 13 1 1 A 18 18 SER H H 13 8.330 8.461 -0.131 1
1 112 . 13 1 1 A 18 18 SER HA H 13 4.430 4.453 -0.023 1
1 115 . 13 1 1 A 18 18 SER CA C 13 59.130 61.075 -1.945 1
1 116 . 13 1 1 A 18 18 SER CB C 13 63.900 63.584 0.316 1
1 117 . 13 1 1 A 18 18 SER N N 13 116.280 122.155 -5.875 1
1 118 . 13 1 1 A 19 19 ASP H H 14 8.560 8.492 0.068 1
1 119 . 13 1 1 A 19 19 ASP HA H 14 4.630 4.845 -0.215 1
1 122 . 13 1 1 A 19 19 ASP CA C 14 54.300 53.373 0.927 1
1 123 . 13 1 1 A 19 19 ASP CB C 14 40.820 41.354 -0.534 1
1 124 . 13 1 1 A 19 19 ASP N N 14 121.330 119.872 1.458 1
1 125 . 13 1 1 A 20 20 LEU H H 15 7.990 7.037 0.953 1
1 126 . 13 1 1 A 20 20 LEU HA H 15 4.630 4.599 0.031 1
1 136 . 13 1 1 A 20 20 LEU CA C 15 52.640 52.785 -0.145 1
1 137 . 13 1 1 A 20 20 LEU CB C 15 42.530 41.380 1.150 1
1 141 . 13 1 1 A 20 20 LEU N N 15 121.650 122.185 -0.535 1
1 142 . 13 1 1 A 21 21 PRO HA H 16 4.570 4.664 -0.094 1
1 149 . 13 1 1 A 21 21 PRO CA C 16 62.080 62.363 -0.283 1
1 150 . 13 1 1 A 21 21 PRO CB C 16 31.760 33.328 -1.568 1
1 153 . 13 1 1 A 22 22 ALA H H 17 8.410 8.363 0.047 1
1 154 . 13 1 1 A 22 22 ALA HA H 17 4.210 4.417 -0.207 1
1 158 . 13 1 1 A 22 22 ALA CA C 17 53.950 53.171 0.779 1
1 159 . 13 1 1 A 22 22 ALA CB C 17 18.650 19.340 -0.690 1
1 160 . 13 1 1 A 22 22 ALA N N 17 122.940 123.434 -0.494 1
1 161 . 13 1 1 A 23 23 GLY H H 18 8.710 8.732 -0.022 1
1 162 . 13 1 1 A 23 23 GLY HA2 H 18 3.460 3.740 -0.280 1
1 163 . 13 1 1 A 23 23 GLY HA3 H 18 3.890 3.743 0.147 1
1 164 . 13 1 1 A 23 23 GLY CA C 18 45.110 45.255 -0.145 1
1 165 . 13 1 1 A 23 23 GLY N N 18 110.320 110.494 -0.174 1
1 166 . 13 1 1 A 24 24 TRP H H 19 7.810 7.950 -0.140 1
1 167 . 13 1 1 A 24 24 TRP HA H 19 5.520 5.245 0.275 1
1 175 . 13 1 1 A 24 24 TRP CA C 19 57.020 56.207 0.813 1
1 176 . 13 1 1 A 24 24 TRP CB C 19 32.270 32.820 -0.550 1
1 177 . 13 1 1 A 24 24 TRP N N 19 118.390 120.527 -2.137 1
1 178 . 13 1 1 A 25 25 MET H H 20 9.570 9.161 0.409 1
1 179 . 13 1 1 A 25 25 MET HA H 20 4.940 5.378 -0.438 1
1 184 . 13 1 1 A 25 25 MET CA C 20 54.390 54.168 0.222 1
1 185 . 13 1 1 A 25 25 MET CB C 20 37.220 35.938 1.282 1
1 187 . 13 1 1 A 25 25 MET N N 20 119.380 124.734 -5.354 1
1 188 . 13 1 1 A 26 26 ARG H H 21 8.880 8.816 0.064 1
1 189 . 13 1 1 A 26 26 ARG HA H 21 4.490 4.776 -0.286 1
1 196 . 13 1 1 A 26 26 ARG CA C 21 55.570 54.584 0.986 1
1 197 . 13 1 1 A 26 26 ARG CB C 21 31.880 32.425 -0.545 1
1 200 . 13 1 1 A 26 26 ARG N N 21 124.980 123.869 1.111 1
1 201 . 13 1 1 A 27 27 VAL H H 22 8.860 8.207 0.653 1
1 202 . 13 1 1 A 27 27 VAL HA H 22 3.960 4.857 -0.897 1
1 210 . 13 1 1 A 27 27 VAL CA C 22 61.320 59.947 1.373 1
1 211 . 13 1 1 A 27 27 VAL CB C 22 33.470 34.112 -0.642 1
1 214 . 13 1 1 A 27 27 VAL N N 22 128.370 126.248 2.122 1
1 215 . 13 1 1 A 28 28 GLN H H 23 8.230 8.509 -0.279 1
1 216 . 13 1 1 A 28 28 GLN HA H 23 4.980 4.977 0.003 1
1 223 . 13 1 1 A 28 28 GLN CA C 23 54.520 54.219 0.301 1
1 224 . 13 1 1 A 28 28 GLN CB C 23 30.560 30.757 -0.197 1
1 226 . 13 1 1 A 28 28 GLN N N 23 123.980 122.914 1.066 1
1 228 . 13 1 1 A 29 29 ASP H H 24 8.710 8.863 -0.153 1
1 229 . 13 1 1 A 29 29 ASP HA H 24 4.900 5.126 -0.226 1
1 232 . 13 1 1 A 29 29 ASP CA C 24 53.040 52.429 0.611 1
1 233 . 13 1 1 A 29 29 ASP CB C 24 42.730 44.066 -1.336 1
1 234 . 13 1 1 A 29 29 ASP N N 24 126.160 125.899 0.261 1
1 235 . 13 1 1 A 30 30 THR H H 25 8.250 8.524 -0.274 1
1 236 . 13 1 1 A 30 30 THR HA H 25 4.120 4.114 0.006 1
1 241 . 13 1 1 A 30 30 THR CA C 25 65.160 65.331 -0.171 1
1 242 . 13 1 1 A 30 30 THR CB C 25 68.870 68.934 -0.064 1
1 244 . 13 1 1 A 30 30 THR N N 25 112.460 118.612 -6.152 1
1 245 . 13 1 1 A 31 31 SER H H 26 8.940 8.130 0.810 1
1 246 . 13 1 1 A 31 31 SER HA H 26 4.560 4.462 0.098 1
1 249 . 13 1 1 A 31 31 SER CA C 26 59.690 59.415 0.275 1
1 250 . 13 1 1 A 31 31 SER CB C 26 64.170 63.662 0.508 1
1 251 . 13 1 1 A 31 31 SER N N 26 117.280 113.779 3.501 1
1 252 . 13 1 1 A 32 32 GLY H H 27 7.890 7.192 0.698 1
1 253 . 13 1 1 A 32 32 GLY HA2 H 27 3.950 4.166 -0.216 1
1 254 . 13 1 1 A 32 32 GLY HA3 H 27 4.760 4.242 0.518 1
1 255 . 13 1 1 A 32 32 GLY CA C 27 44.820 44.580 0.240 1
1 256 . 13 1 1 A 32 32 GLY N N 27 110.950 107.559 3.391 1
1 257 . 13 1 1 A 33 33 THR H H 28 8.460 8.637 -0.177 1
1 258 . 13 1 1 A 33 33 THR HA H 28 5.230 5.122 0.108 1
1 263 . 13 1 1 A 33 33 THR CA C 28 61.750 63.264 -1.514 1
1 264 . 13 1 1 A 33 33 THR CB C 28 70.530 69.059 1.471 1
1 266 . 13 1 1 A 33 33 THR N N 28 117.690 116.503 1.187 1
1 267 . 13 1 1 A 34 34 TYR H H 29 8.700 8.496 0.204 1
1 268 . 13 1 1 A 34 34 TYR HA H 29 4.670 5.209 -0.539 1
1 275 . 13 1 1 A 34 34 TYR CA C 29 55.500 55.398 0.102 1
1 276 . 13 1 1 A 34 34 TYR CB C 29 38.140 40.742 -2.602 1
1 277 . 13 1 1 A 34 34 TYR N N 29 123.420 125.212 -1.792 1
1 278 . 13 1 1 A 35 35 TYR H H 30 8.920 8.878 0.042 1
1 279 . 13 1 1 A 35 35 TYR HA H 30 5.330 5.766 -0.436 1
1 286 . 13 1 1 A 35 35 TYR CA C 30 57.550 56.726 0.824 1
1 287 . 13 1 1 A 35 35 TYR CB C 30 41.270 42.528 -1.258 1
1 288 . 13 1 1 A 35 35 TYR N N 30 116.920 116.405 0.515 1
1 289 . 13 1 1 A 36 36 TRP H H 31 9.580 8.831 0.749 1
1 290 . 13 1 1 A 36 36 TRP HA H 31 5.740 5.546 0.194 1
1 299 . 13 1 1 A 36 36 TRP CA C 31 54.290 55.498 -1.208 1
1 300 . 13 1 1 A 36 36 TRP CB C 31 33.420 32.015 1.405 1
1 301 . 13 1 1 A 36 36 TRP N N 31 126.100 124.982 1.118 1
1 303 . 13 1 1 A 37 37 HIS H H 32 8.950 9.179 -0.229 1
1 304 . 13 1 1 A 37 37 HIS HA H 32 3.940 4.353 -0.413 1
1 309 . 13 1 1 A 37 37 HIS CA C 32 55.050 54.597 0.453 1
1 310 . 13 1 1 A 37 37 HIS CB C 32 29.110 29.403 -0.293 1
1 311 . 13 1 1 A 37 37 HIS N N 32 130.940 127.519 3.421 1
1 312 . 13 1 1 A 38 38 ILE H H 33 8.130 7.801 0.329 1
1 313 . 13 1 1 A 38 38 ILE HA H 33 2.920 3.126 -0.206 1
1 323 . 13 1 1 A 38 38 ILE CA C 33 65.700 65.862 -0.162 1
1 324 . 13 1 1 A 38 38 ILE CB C 33 35.350 34.856 0.494 1
1 328 . 13 1 1 A 38 38 ILE N N 33 127.650 125.922 1.728 1
1 329 . 13 1 1 A 39 39 PRO HA H 34 4.120 4.042 0.078 1
1 336 . 13 1 1 A 39 39 PRO CA C 34 65.700 66.157 -0.457 1
1 337 . 13 1 1 A 39 39 PRO CB C 34 32.150 30.530 1.620 1
1 340 . 13 1 1 A 40 40 THR H H 35 6.470 7.062 -0.592 1
1 341 . 13 1 1 A 40 40 THR HA H 35 4.510 4.264 0.246 1
1 346 . 13 1 1 A 40 40 THR CA C 35 61.240 63.694 -2.454 1
1 347 . 13 1 1 A 40 40 THR CB C 35 72.280 69.246 3.034 1
1 349 . 13 1 1 A 40 40 THR N N 35 100.770 110.412 -9.642 1
1 350 . 13 1 1 A 41 41 GLY H H 36 8.530 7.843 0.687 1
1 351 . 13 1 1 A 41 41 GLY HA2 H 36 3.660 4.061 -0.401 1
1 352 . 13 1 1 A 41 41 GLY HA3 H 36 4.210 4.219 -0.009 1
1 353 . 13 1 1 A 41 41 GLY CA C 36 46.220 45.193 1.027 1
1 354 . 13 1 1 A 41 41 GLY N N 36 113.280 108.762 4.518 1
1 355 . 13 1 1 A 42 42 THR H H 37 7.460 7.800 -0.340 1
1 356 . 13 1 1 A 42 42 THR HA H 37 4.260 4.333 -0.073 1
1 361 . 13 1 1 A 42 42 THR CA C 37 63.660 63.086 0.574 1
1 362 . 13 1 1 A 42 42 THR CB C 37 69.960 69.514 0.446 1
1 364 . 13 1 1 A 42 42 THR N N 37 115.720 117.195 -1.475 1
1 365 . 13 1 1 A 43 43 THR H H 38 8.420 8.756 -0.336 1
1 366 . 13 1 1 A 43 43 THR HA H 38 5.920 5.555 0.365 1
1 371 . 13 1 1 A 43 43 THR CA C 38 59.560 59.253 0.307 1
1 372 . 13 1 1 A 43 43 THR CB C 38 72.140 72.072 0.068 1
1 374 . 13 1 1 A 43 43 THR N N 38 116.010 114.450 1.560 1
1 375 . 13 1 1 A 44 44 GLN H H 39 9.180 8.402 0.778 1
1 376 . 13 1 1 A 44 44 GLN HA H 39 4.930 4.852 0.078 1
1 383 . 13 1 1 A 44 44 GLN CA C 39 54.890 54.378 0.512 1
1 384 . 13 1 1 A 44 44 GLN CB C 39 32.550 30.736 1.814 1
1 386 . 13 1 1 A 44 44 GLN N N 39 116.860 118.179 -1.319 1
1 388 . 13 1 1 A 45 45 TRP H H 40 8.890 8.500 0.390 1
1 389 . 13 1 1 A 45 45 TRP HA H 40 4.820 5.165 -0.345 1
1 397 . 13 1 1 A 45 45 TRP CA C 40 59.410 58.401 1.009 1
1 398 . 13 1 1 A 45 45 TRP CB C 40 30.270 31.968 -1.698 1
1 399 . 13 1 1 A 45 45 TRP N N 40 121.200 121.183 0.017 1
1 400 . 13 1 1 A 46 46 GLU H H 41 7.970 8.247 -0.277 1
1 401 . 13 1 1 A 46 46 GLU HA H 41 4.720 4.856 -0.136 1
1 406 . 13 1 1 A 46 46 GLU CA C 41 54.070 54.349 -0.279 1
1 407 . 13 1 1 A 46 46 GLU CB C 41 29.640 29.483 0.157 1
1 409 . 13 1 1 A 46 46 GLU N N 41 119.500 118.007 1.493 1
1 410 . 13 1 1 A 47 47 PRO HA H 42 2.900 3.308 -0.408 1
1 417 . 13 1 1 A 47 47 PRO CA C 42 60.700 61.365 -0.665 1
1 418 . 13 1 1 A 47 47 PRO CB C 42 29.760 32.258 -2.498 1
1 421 . 13 1 1 A 48 48 PRO HA H 43 3.770 4.295 -0.525 1
1 428 . 13 1 1 A 48 48 PRO CA C 43 61.890 61.934 -0.044 1
1 429 . 13 1 1 A 48 48 PRO CB C 43 30.880 32.495 -1.615 1
1 432 . 13 1 1 A 49 49 GLY H H 44 8.020 8.061 -0.041 1
1 433 . 13 1 1 A 49 49 GLY HA2 H 44 3.770 3.911 -0.141 1
1 434 . 13 1 1 A 49 49 GLY HA3 H 44 3.770 3.927 -0.157 1
1 435 . 13 1 1 A 49 49 GLY CA C 44 44.770 45.975 -1.205 1
1 436 . 13 1 1 A 49 49 GLY N N 44 107.850 106.090 1.760 1
1 437 . 13 1 1 A 50 50 ARG H H 45 7.980 7.817 0.163 1
1 438 . 13 1 1 A 50 50 ARG HA H 45 4.280 4.301 -0.021 1
1 445 . 13 1 1 A 50 50 ARG CA C 45 55.730 56.470 -0.740 1
1 446 . 13 1 1 A 50 50 ARG CB C 45 31.150 31.232 -0.082 1
1 449 . 13 1 1 A 50 50 ARG N N 45 119.870 119.967 -0.097 1
1 450 . 13 1 1 A 51 51 ALA H H 46 8.340 8.286 0.054 1
1 451 . 13 1 1 A 51 51 ALA HA H 46 4.330 4.886 -0.556 1
1 455 . 13 1 1 A 51 51 ALA CA C 46 52.290 51.108 1.182 1
1 456 . 13 1 1 A 51 51 ALA CB C 46 19.450 20.751 -1.301 1
1 457 . 13 1 1 A 51 51 ALA N N 46 125.360 123.388 1.972 1
1 458 . 13 1 1 A 52 52 SER H H 47 8.360 9.158 -0.798 1
1 459 . 13 1 1 A 52 52 SER HA H 47 4.730 4.440 0.290 1
1 462 . 13 1 1 A 52 52 SER CA C 47 56.520 63.151 -6.631 1
1 463 . 13 1 1 A 52 52 SER CB C 47 63.460 61.341 2.119 1
1 464 . 13 1 1 A 52 52 SER N N 47 117.200 119.752 -2.552 1
1 465 . 13 1 1 A 53 53 PRO HA H 48 4.490 4.720 -0.230 1
1 472 . 13 1 1 A 53 53 PRO CA C 48 63.450 62.401 1.049 1
1 473 . 13 1 1 A 53 53 PRO CB C 48 32.280 32.408 -0.128 1
1 476 . 13 1 1 A 54 54 SER H H 49 8.420 8.347 0.073 1
1 477 . 13 1 1 A 54 54 SER HA H 49 4.440 4.778 -0.338 1
1 480 . 13 1 1 A 54 54 SER CA C 49 58.490 56.582 1.908 1
1 481 . 13 1 1 A 54 54 SER CB C 49 63.990 66.133 -2.143 1
1 482 . 13 1 1 A 54 54 SER N N 49 116.680 114.693 1.987 1
1 8 . 14 1 1 A 7 7 SER H H 2 8.110 9.060 -0.950 1
1 9 . 14 1 1 A 7 7 SER HA H 2 4.360 4.193 0.167 1
1 12 . 14 1 1 A 7 7 SER CA C 2 58.690 59.489 -0.799 1
1 13 . 14 1 1 A 7 7 SER CB C 2 63.740 62.209 1.531 1
1 14 . 14 1 1 A 7 7 SER N N 2 115.530 115.252 0.278 1
1 15 . 14 1 1 A 8 8 PHE H H 3 8.100 8.530 -0.430 1
1 16 . 14 1 1 A 8 8 PHE HA H 3 4.580 4.192 0.388 1
1 21 . 14 1 1 A 8 8 PHE CA C 3 57.940 61.532 -3.592 1
1 22 . 14 1 1 A 8 8 PHE CB C 3 39.440 39.708 -0.268 1
1 23 . 14 1 1 A 8 8 PHE N N 3 121.690 126.997 -5.307 1
1 24 . 14 1 1 A 9 9 TRP H H 4 7.960 7.729 0.231 1
1 25 . 14 1 1 A 9 9 TRP HA H 4 4.580 4.493 0.087 1
1 33 . 14 1 1 A 9 9 TRP CA C 4 57.320 59.379 -2.059 1
1 34 . 14 1 1 A 9 9 TRP CB C 4 29.740 30.344 -0.604 1
1 35 . 14 1 1 A 9 9 TRP N N 4 122.750 122.468 0.282 1
1 36 . 14 1 1 A 10 10 ASN H H 5 7.960 7.604 0.356 1
1 37 . 14 1 1 A 10 10 ASN HA H 5 4.770 4.994 -0.224 1
1 42 . 14 1 1 A 10 10 ASN CA C 5 50.520 48.913 1.607 1
1 43 . 14 1 1 A 10 10 ASN CB C 5 39.570 40.684 -1.114 1
1 44 . 14 1 1 A 10 10 ASN N N 5 122.600 125.148 -2.548 1
1 46 . 14 1 1 A 11 11 PRO HA H 6 4.090 4.432 -0.342 1
1 53 . 14 1 1 A 11 11 PRO CA C 6 63.660 62.007 1.653 1
1 54 . 14 1 1 A 11 11 PRO CB C 6 32.160 33.270 -1.110 1
1 57 . 14 1 1 A 12 12 ASN H H 7 8.100 8.852 -0.752 1
1 58 . 14 1 1 A 12 12 ASN HA H 7 4.640 4.430 0.210 1
1 63 . 14 1 1 A 12 12 ASN CA C 7 53.330 56.144 -2.814 1
1 64 . 14 1 1 A 12 12 ASN CB C 7 38.910 38.492 0.418 1
1 65 . 14 1 1 A 12 12 ASN N N 7 116.820 118.463 -1.643 1
1 67 . 14 1 1 A 13 13 ALA H H 8 7.760 7.674 0.086 1
1 68 . 14 1 1 A 13 13 ALA HA H 8 4.190 4.057 0.133 1
1 72 . 14 1 1 A 13 13 ALA CA C 8 52.840 54.115 -1.275 1
1 73 . 14 1 1 A 13 13 ALA CB C 8 19.240 17.757 1.483 1
1 74 . 14 1 1 A 13 13 ALA N N 8 123.280 120.550 2.730 1
1 75 . 14 1 1 A 14 14 PHE H H 9 7.980 8.716 -0.736 1
1 76 . 14 1 1 A 14 14 PHE HA H 9 4.680 4.559 0.121 1
1 81 . 14 1 1 A 14 14 PHE CA C 9 57.310 57.178 0.132 1
1 82 . 14 1 1 A 14 14 PHE CB C 9 39.790 40.480 -0.690 1
1 83 . 14 1 1 A 14 14 PHE N N 9 118.120 117.229 0.891 1
1 84 . 14 1 1 A 15 15 GLU H H 10 8.340 8.429 -0.089 1
1 85 . 14 1 1 A 15 15 GLU HA H 10 4.410 4.242 0.168 1
1 90 . 14 1 1 A 15 15 GLU CA C 10 56.550 55.466 1.084 1
1 91 . 14 1 1 A 15 15 GLU CB C 10 30.750 30.975 -0.225 1
1 93 . 14 1 1 A 15 15 GLU N N 10 122.120 119.241 2.879 1
1 94 . 14 1 1 A 16 16 THR H H 11 8.230 8.253 -0.023 1
1 95 . 14 1 1 A 16 16 THR HA H 11 4.380 4.450 -0.070 1
1 100 . 14 1 1 A 16 16 THR CA C 11 61.900 60.563 1.337 1
1 101 . 14 1 1 A 16 16 THR CB C 11 69.890 70.876 -0.986 1
1 103 . 14 1 1 A 16 16 THR N N 11 114.830 115.415 -0.585 1
1 104 . 14 1 1 A 17 17 ASP H H 12 8.480 9.072 -0.592 1
1 105 . 14 1 1 A 17 17 ASP HA H 12 4.710 4.340 0.370 1
1 108 . 14 1 1 A 17 17 ASP CA C 12 54.650 54.848 -0.198 1
1 109 . 14 1 1 A 17 17 ASP CB C 12 41.480 39.281 2.199 1
1 110 . 14 1 1 A 17 17 ASP N N 12 122.650 124.724 -2.074 1
1 111 . 14 1 1 A 18 18 SER H H 13 8.330 8.016 0.314 1
1 112 . 14 1 1 A 18 18 SER HA H 13 4.430 4.442 -0.012 1
1 115 . 14 1 1 A 18 18 SER CA C 13 59.130 61.200 -2.070 1
1 116 . 14 1 1 A 18 18 SER CB C 13 63.900 62.787 1.113 1
1 117 . 14 1 1 A 18 18 SER N N 13 116.280 120.237 -3.957 1
1 118 . 14 1 1 A 19 19 ASP H H 14 8.560 8.315 0.245 1
1 119 . 14 1 1 A 19 19 ASP HA H 14 4.630 4.888 -0.258 1
1 122 . 14 1 1 A 19 19 ASP CA C 14 54.300 53.162 1.138 1
1 123 . 14 1 1 A 19 19 ASP CB C 14 40.820 41.503 -0.683 1
1 124 . 14 1 1 A 19 19 ASP N N 14 121.330 118.300 3.030 1
1 125 . 14 1 1 A 20 20 LEU H H 15 7.990 8.311 -0.321 1
1 126 . 14 1 1 A 20 20 LEU HA H 15 4.630 4.560 0.070 1
1 136 . 14 1 1 A 20 20 LEU CA C 15 52.640 52.592 0.048 1
1 137 . 14 1 1 A 20 20 LEU CB C 15 42.530 41.427 1.103 1
1 141 . 14 1 1 A 20 20 LEU N N 15 121.650 124.377 -2.727 1
1 142 . 14 1 1 A 21 21 PRO HA H 16 4.570 4.611 -0.041 1
1 149 . 14 1 1 A 21 21 PRO CA C 16 62.080 62.289 -0.209 1
1 150 . 14 1 1 A 21 21 PRO CB C 16 31.760 33.137 -1.377 1
1 153 . 14 1 1 A 22 22 ALA H H 17 8.410 8.290 0.120 1
1 154 . 14 1 1 A 22 22 ALA HA H 17 4.210 4.375 -0.165 1
1 158 . 14 1 1 A 22 22 ALA CA C 17 53.950 52.867 1.083 1
1 159 . 14 1 1 A 22 22 ALA CB C 17 18.650 19.251 -0.601 1
1 160 . 14 1 1 A 22 22 ALA N N 17 122.940 123.382 -0.442 1
1 161 . 14 1 1 A 23 23 GLY H H 18 8.710 8.767 -0.057 1
1 162 . 14 1 1 A 23 23 GLY HA2 H 18 3.460 3.791 -0.331 1
1 163 . 14 1 1 A 23 23 GLY HA3 H 18 3.890 3.797 0.093 1
1 164 . 14 1 1 A 23 23 GLY CA C 18 45.110 44.892 0.218 1
1 165 . 14 1 1 A 23 23 GLY N N 18 110.320 110.139 0.181 1
1 166 . 14 1 1 A 24 24 TRP H H 19 7.810 7.801 0.009 1
1 167 . 14 1 1 A 24 24 TRP HA H 19 5.520 4.840 0.680 1
1 175 . 14 1 1 A 24 24 TRP CA C 19 57.020 56.636 0.384 1
1 176 . 14 1 1 A 24 24 TRP CB C 19 32.270 30.419 1.851 1
1 177 . 14 1 1 A 24 24 TRP N N 19 118.390 120.926 -2.536 1
1 178 . 14 1 1 A 25 25 MET H H 20 9.570 9.138 0.432 1
1 179 . 14 1 1 A 25 25 MET HA H 20 4.940 4.651 0.289 1
1 184 . 14 1 1 A 25 25 MET CA C 20 54.390 53.972 0.418 1
1 185 . 14 1 1 A 25 25 MET CB C 20 37.220 34.486 2.734 1
1 187 . 14 1 1 A 25 25 MET N N 20 119.380 124.890 -5.510 1
1 188 . 14 1 1 A 26 26 ARG H H 21 8.880 8.619 0.261 1
1 189 . 14 1 1 A 26 26 ARG HA H 21 4.490 4.776 -0.286 1
1 196 . 14 1 1 A 26 26 ARG CA C 21 55.570 54.573 0.997 1
1 197 . 14 1 1 A 26 26 ARG CB C 21 31.880 32.493 -0.613 1
1 200 . 14 1 1 A 26 26 ARG N N 21 124.980 123.832 1.148 1
1 201 . 14 1 1 A 27 27 VAL H H 22 8.860 8.190 0.670 1
1 202 . 14 1 1 A 27 27 VAL HA H 22 3.960 4.702 -0.742 1
1 210 . 14 1 1 A 27 27 VAL CA C 22 61.320 59.963 1.357 1
1 211 . 14 1 1 A 27 27 VAL CB C 22 33.470 33.789 -0.319 1
1 214 . 14 1 1 A 27 27 VAL N N 22 128.370 126.490 1.880 1
1 215 . 14 1 1 A 28 28 GLN H H 23 8.230 8.596 -0.366 1
1 216 . 14 1 1 A 28 28 GLN HA H 23 4.980 4.794 0.186 1
1 223 . 14 1 1 A 28 28 GLN CA C 23 54.520 54.340 0.180 1
1 224 . 14 1 1 A 28 28 GLN CB C 23 30.560 29.539 1.021 1
1 226 . 14 1 1 A 28 28 GLN N N 23 123.980 123.434 0.546 1
1 228 . 14 1 1 A 29 29 ASP H H 24 8.710 8.535 0.175 1
1 229 . 14 1 1 A 29 29 ASP HA H 24 4.900 4.778 0.122 1
1 232 . 14 1 1 A 29 29 ASP CA C 24 53.040 54.456 -1.416 1
1 233 . 14 1 1 A 29 29 ASP CB C 24 42.730 42.408 0.322 1
1 234 . 14 1 1 A 29 29 ASP N N 24 126.160 124.377 1.783 1
1 235 . 14 1 1 A 30 30 THR H H 25 8.250 8.925 -0.675 1
1 236 . 14 1 1 A 30 30 THR HA H 25 4.120 3.964 0.156 1
1 241 . 14 1 1 A 30 30 THR CA C 25 65.160 65.754 -0.594 1
1 242 . 14 1 1 A 30 30 THR CB C 25 68.870 68.305 0.565 1
1 244 . 14 1 1 A 30 30 THR N N 25 112.460 118.704 -6.244 1
1 245 . 14 1 1 A 31 31 SER H H 26 8.940 8.277 0.663 1
1 246 . 14 1 1 A 31 31 SER HA H 26 4.560 4.330 0.230 1
1 249 . 14 1 1 A 31 31 SER CA C 26 59.690 61.369 -1.679 1
1 250 . 14 1 1 A 31 31 SER CB C 26 64.170 63.826 0.344 1
1 251 . 14 1 1 A 31 31 SER N N 26 117.280 116.756 0.524 1
1 252 . 14 1 1 A 32 32 GLY H H 27 7.890 7.463 0.427 1
1 253 . 14 1 1 A 32 32 GLY HA2 H 27 3.950 4.187 -0.237 1
1 254 . 14 1 1 A 32 32 GLY HA3 H 27 4.760 4.280 0.480 1
1 255 . 14 1 1 A 32 32 GLY CA C 27 44.820 45.962 -1.142 1
1 256 . 14 1 1 A 32 32 GLY N N 27 110.950 105.515 5.435 1
1 257 . 14 1 1 A 33 33 THR H H 28 8.460 8.690 -0.230 1
1 258 . 14 1 1 A 33 33 THR HA H 28 5.230 5.219 0.011 1
1 263 . 14 1 1 A 33 33 THR CA C 28 61.750 62.761 -1.011 1
1 264 . 14 1 1 A 33 33 THR CB C 28 70.530 69.161 1.369 1
1 266 . 14 1 1 A 33 33 THR N N 28 117.690 116.433 1.257 1
1 267 . 14 1 1 A 34 34 TYR H H 29 8.700 8.512 0.188 1
1 268 . 14 1 1 A 34 34 TYR HA H 29 4.670 5.156 -0.486 1
1 275 . 14 1 1 A 34 34 TYR CA C 29 55.500 55.183 0.317 1
1 276 . 14 1 1 A 34 34 TYR CB C 29 38.140 40.678 -2.538 1
1 277 . 14 1 1 A 34 34 TYR N N 29 123.420 125.034 -1.614 1
1 278 . 14 1 1 A 35 35 TYR H H 30 8.920 8.822 0.098 1
1 279 . 14 1 1 A 35 35 TYR HA H 30 5.330 5.714 -0.384 1
1 286 . 14 1 1 A 35 35 TYR CA C 30 57.550 56.750 0.800 1
1 287 . 14 1 1 A 35 35 TYR CB C 30 41.270 43.033 -1.763 1
1 288 . 14 1 1 A 35 35 TYR N N 30 116.920 116.399 0.521 1
1 289 . 14 1 1 A 36 36 TRP H H 31 9.580 8.860 0.720 1
1 290 . 14 1 1 A 36 36 TRP HA H 31 5.740 5.627 0.113 1
1 299 . 14 1 1 A 36 36 TRP CA C 31 54.290 55.312 -1.022 1
1 300 . 14 1 1 A 36 36 TRP CB C 31 33.420 31.875 1.545 1
1 301 . 14 1 1 A 36 36 TRP N N 31 126.100 124.418 1.682 1
1 303 . 14 1 1 A 37 37 HIS H H 32 8.950 9.017 -0.067 1
1 304 . 14 1 1 A 37 37 HIS HA H 32 3.940 3.600 0.340 1
1 309 . 14 1 1 A 37 37 HIS CA C 32 55.050 53.669 1.381 1
1 310 . 14 1 1 A 37 37 HIS CB C 32 29.110 28.063 1.047 1
1 311 . 14 1 1 A 37 37 HIS N N 32 130.940 127.369 3.571 1
1 312 . 14 1 1 A 38 38 ILE H H 33 8.130 7.571 0.559 1
1 313 . 14 1 1 A 38 38 ILE HA H 33 2.920 2.828 0.092 1
1 323 . 14 1 1 A 38 38 ILE CA C 33 65.700 66.153 -0.453 1
1 324 . 14 1 1 A 38 38 ILE CB C 33 35.350 34.856 0.494 1
1 328 . 14 1 1 A 38 38 ILE N N 33 127.650 124.789 2.861 1
1 329 . 14 1 1 A 39 39 PRO HA H 34 4.120 4.297 -0.177 1
1 336 . 14 1 1 A 39 39 PRO CA C 34 65.700 65.171 0.529 1
1 337 . 14 1 1 A 39 39 PRO CB C 34 32.150 31.404 0.746 1
1 340 . 14 1 1 A 40 40 THR H H 35 6.470 7.863 -1.393 1
1 341 . 14 1 1 A 40 40 THR HA H 35 4.510 4.190 0.320 1
1 346 . 14 1 1 A 40 40 THR CA C 35 61.240 63.427 -2.187 1
1 347 . 14 1 1 A 40 40 THR CB C 35 72.280 69.176 3.104 1
1 349 . 14 1 1 A 40 40 THR N N 35 100.770 109.473 -8.703 1
1 350 . 14 1 1 A 41 41 GLY H H 36 8.530 7.548 0.982 1
1 351 . 14 1 1 A 41 41 GLY HA2 H 36 3.660 4.060 -0.400 1
1 352 . 14 1 1 A 41 41 GLY HA3 H 36 4.210 4.234 -0.024 1
1 353 . 14 1 1 A 41 41 GLY CA C 36 46.220 45.382 0.838 1
1 354 . 14 1 1 A 41 41 GLY N N 36 113.280 107.890 5.390 1
1 355 . 14 1 1 A 42 42 THR H H 37 7.460 7.558 -0.098 1
1 356 . 14 1 1 A 42 42 THR HA H 37 4.260 4.469 -0.209 1
1 361 . 14 1 1 A 42 42 THR CA C 37 63.660 62.485 1.175 1
1 362 . 14 1 1 A 42 42 THR CB C 37 69.960 69.777 0.183 1
1 364 . 14 1 1 A 42 42 THR N N 37 115.720 115.533 0.187 1
1 365 . 14 1 1 A 43 43 THR H H 38 8.420 8.911 -0.491 1
1 366 . 14 1 1 A 43 43 THR HA H 38 5.920 5.472 0.448 1
1 371 . 14 1 1 A 43 43 THR CA C 38 59.560 59.807 -0.247 1
1 372 . 14 1 1 A 43 43 THR CB C 38 72.140 71.683 0.457 1
1 374 . 14 1 1 A 43 43 THR N N 38 116.010 113.684 2.326 1
1 375 . 14 1 1 A 44 44 GLN H H 39 9.180 8.356 0.824 1
1 376 . 14 1 1 A 44 44 GLN HA H 39 4.930 5.017 -0.087 1
1 383 . 14 1 1 A 44 44 GLN CA C 39 54.890 53.875 1.015 1
1 384 . 14 1 1 A 44 44 GLN CB C 39 32.550 31.970 0.580 1
1 386 . 14 1 1 A 44 44 GLN N N 39 116.860 118.633 -1.773 1
1 388 . 14 1 1 A 45 45 TRP H H 40 8.890 8.433 0.457 1
1 389 . 14 1 1 A 45 45 TRP HA H 40 4.820 5.155 -0.335 1
1 397 . 14 1 1 A 45 45 TRP CA C 40 59.410 58.411 0.999 1
1 398 . 14 1 1 A 45 45 TRP CB C 40 30.270 31.886 -1.616 1
1 399 . 14 1 1 A 45 45 TRP N N 40 121.200 120.511 0.689 1
1 400 . 14 1 1 A 46 46 GLU H H 41 7.970 8.251 -0.281 1
1 401 . 14 1 1 A 46 46 GLU HA H 41 4.720 4.893 -0.173 1
1 406 . 14 1 1 A 46 46 GLU CA C 41 54.070 54.507 -0.437 1
1 407 . 14 1 1 A 46 46 GLU CB C 41 29.640 29.325 0.315 1
1 409 . 14 1 1 A 46 46 GLU N N 41 119.500 118.016 1.484 1
1 410 . 14 1 1 A 47 47 PRO HA H 42 2.900 3.654 -0.754 1
1 417 . 14 1 1 A 47 47 PRO CA C 42 60.700 61.819 -1.119 1
1 418 . 14 1 1 A 47 47 PRO CB C 42 29.760 31.587 -1.827 1
1 421 . 14 1 1 A 48 48 PRO HA H 43 3.770 4.045 -0.275 1
1 428 . 14 1 1 A 48 48 PRO CA C 43 61.890 65.224 -3.334 1
1 429 . 14 1 1 A 48 48 PRO CB C 43 30.880 30.684 0.196 1
1 432 . 14 1 1 A 49 49 GLY H H 44 8.020 7.606 0.414 1
1 433 . 14 1 1 A 49 49 GLY HA2 H 44 3.770 3.738 0.032 1
1 434 . 14 1 1 A 49 49 GLY HA3 H 44 3.770 3.746 0.024 1
1 435 . 14 1 1 A 49 49 GLY CA C 44 44.770 46.752 -1.982 1
1 436 . 14 1 1 A 49 49 GLY N N 44 107.850 107.821 0.029 1
1 437 . 14 1 1 A 50 50 ARG H H 45 7.980 7.994 -0.014 1
1 438 . 14 1 1 A 50 50 ARG HA H 45 4.280 3.977 0.303 1
1 445 . 14 1 1 A 50 50 ARG CA C 45 55.730 59.196 -3.466 1
1 446 . 14 1 1 A 50 50 ARG CB C 45 31.150 30.407 0.743 1
1 449 . 14 1 1 A 50 50 ARG N N 45 119.870 118.470 1.400 1
1 450 . 14 1 1 A 51 51 ALA H H 46 8.340 7.399 0.941 1
1 451 . 14 1 1 A 51 51 ALA HA H 46 4.330 4.405 -0.075 1
1 455 . 14 1 1 A 51 51 ALA CA C 46 52.290 51.667 0.623 1
1 456 . 14 1 1 A 51 51 ALA CB C 46 19.450 21.153 -1.703 1
1 457 . 14 1 1 A 51 51 ALA N N 46 125.360 116.130 9.230 1
1 458 . 14 1 1 A 52 52 SER H H 47 8.360 8.642 -0.282 1
1 459 . 14 1 1 A 52 52 SER HA H 47 4.730 4.863 -0.133 1
1 462 . 14 1 1 A 52 52 SER CA C 47 56.520 56.031 0.489 1
1 463 . 14 1 1 A 52 52 SER CB C 47 63.460 63.255 0.205 1
1 464 . 14 1 1 A 52 52 SER N N 47 117.200 112.997 4.203 1
1 465 . 14 1 1 A 53 53 PRO HA H 48 4.490 4.697 -0.207 1
1 472 . 14 1 1 A 53 53 PRO CA C 48 63.450 62.447 1.003 1
1 473 . 14 1 1 A 53 53 PRO CB C 48 32.280 33.507 -1.227 1
1 476 . 14 1 1 A 54 54 SER H H 49 8.420 8.692 -0.272 1
1 477 . 14 1 1 A 54 54 SER HA H 49 4.440 4.731 -0.291 1
1 480 . 14 1 1 A 54 54 SER CA C 49 58.490 56.911 1.579 1
1 481 . 14 1 1 A 54 54 SER CB C 49 63.990 63.723 0.267 1
1 482 . 14 1 1 A 54 54 SER N N 49 116.680 116.472 0.208 1
1 8 . 15 1 1 A 7 7 SER H H 2 8.110 7.787 0.323 1
1 9 . 15 1 1 A 7 7 SER HA H 2 4.360 5.013 -0.653 1
1 12 . 15 1 1 A 7 7 SER CA C 2 58.690 57.490 1.200 1
1 13 . 15 1 1 A 7 7 SER CB C 2 63.740 67.231 -3.491 1
1 14 . 15 1 1 A 7 7 SER N N 2 115.530 113.102 2.428 1
1 15 . 15 1 1 A 8 8 PHE H H 3 8.100 7.669 0.431 1
1 16 . 15 1 1 A 8 8 PHE HA H 3 4.580 4.738 -0.158 1
1 21 . 15 1 1 A 8 8 PHE CA C 3 57.940 57.209 0.731 1
1 22 . 15 1 1 A 8 8 PHE CB C 3 39.440 40.516 -1.076 1
1 23 . 15 1 1 A 8 8 PHE N N 3 121.690 118.782 2.908 1
1 24 . 15 1 1 A 9 9 TRP H H 4 7.960 6.976 0.984 1
1 25 . 15 1 1 A 9 9 TRP HA H 4 4.580 4.411 0.169 1
1 33 . 15 1 1 A 9 9 TRP CA C 4 57.320 60.051 -2.731 1
1 34 . 15 1 1 A 9 9 TRP CB C 4 29.740 29.379 0.361 1
1 35 . 15 1 1 A 9 9 TRP N N 4 122.750 119.897 2.853 1
1 36 . 15 1 1 A 10 10 ASN H H 5 7.960 8.091 -0.131 1
1 37 . 15 1 1 A 10 10 ASN HA H 5 4.770 5.172 -0.402 1
1 42 . 15 1 1 A 10 10 ASN CA C 5 50.520 50.756 -0.236 1
1 43 . 15 1 1 A 10 10 ASN CB C 5 39.570 39.704 -0.134 1
1 44 . 15 1 1 A 10 10 ASN N N 5 122.600 114.639 7.961 1
1 46 . 15 1 1 A 11 11 PRO HA H 6 4.090 4.807 -0.717 1
1 53 . 15 1 1 A 11 11 PRO CA C 6 63.660 62.720 0.940 1
1 54 . 15 1 1 A 11 11 PRO CB C 6 32.160 32.632 -0.472 1
1 57 . 15 1 1 A 12 12 ASN H H 7 8.100 9.167 -1.067 1
1 58 . 15 1 1 A 12 12 ASN HA H 7 4.640 4.429 0.211 1
1 63 . 15 1 1 A 12 12 ASN CA C 7 53.330 54.392 -1.062 1
1 64 . 15 1 1 A 12 12 ASN CB C 7 38.910 37.707 1.203 1
1 65 . 15 1 1 A 12 12 ASN N N 7 116.820 118.947 -2.127 1
1 67 . 15 1 1 A 13 13 ALA H H 8 7.760 7.701 0.059 1
1 68 . 15 1 1 A 13 13 ALA HA H 8 4.190 4.518 -0.328 1
1 72 . 15 1 1 A 13 13 ALA CA C 8 52.840 51.542 1.298 1
1 73 . 15 1 1 A 13 13 ALA CB C 8 19.240 19.412 -0.172 1
1 74 . 15 1 1 A 13 13 ALA N N 8 123.280 118.588 4.692 1
1 75 . 15 1 1 A 14 14 PHE H H 9 7.980 8.069 -0.089 1
1 76 . 15 1 1 A 14 14 PHE HA H 9 4.680 4.866 -0.186 1
1 81 . 15 1 1 A 14 14 PHE CA C 9 57.310 56.136 1.174 1
1 82 . 15 1 1 A 14 14 PHE CB C 9 39.790 39.303 0.487 1
1 83 . 15 1 1 A 14 14 PHE N N 9 118.120 118.578 -0.458 1
1 84 . 15 1 1 A 15 15 GLU H H 10 8.340 8.361 -0.021 1
1 85 . 15 1 1 A 15 15 GLU HA H 10 4.410 4.261 0.149 1
1 90 . 15 1 1 A 15 15 GLU CA C 10 56.550 56.953 -0.403 1
1 91 . 15 1 1 A 15 15 GLU CB C 10 30.750 29.329 1.421 1
1 93 . 15 1 1 A 15 15 GLU N N 10 122.120 125.540 -3.420 1
1 94 . 15 1 1 A 16 16 THR H H 11 8.230 8.617 -0.387 1
1 95 . 15 1 1 A 16 16 THR HA H 11 4.380 4.386 -0.006 1
1 100 . 15 1 1 A 16 16 THR CA C 11 61.900 62.222 -0.322 1
1 101 . 15 1 1 A 16 16 THR CB C 11 69.890 69.503 0.387 1
1 103 . 15 1 1 A 16 16 THR N N 11 114.830 117.684 -2.854 1
1 104 . 15 1 1 A 17 17 ASP H H 12 8.480 8.754 -0.274 1
1 105 . 15 1 1 A 17 17 ASP HA H 12 4.710 4.816 -0.106 1
1 108 . 15 1 1 A 17 17 ASP CA C 12 54.650 53.894 0.756 1
1 109 . 15 1 1 A 17 17 ASP CB C 12 41.480 42.090 -0.610 1
1 110 . 15 1 1 A 17 17 ASP N N 12 122.650 122.448 0.202 1
1 111 . 15 1 1 A 18 18 SER H H 13 8.330 8.405 -0.075 1
1 112 . 15 1 1 A 18 18 SER HA H 13 4.430 4.624 -0.194 1
1 115 . 15 1 1 A 18 18 SER CA C 13 59.130 57.768 1.362 1
1 116 . 15 1 1 A 18 18 SER CB C 13 63.900 62.838 1.062 1
1 117 . 15 1 1 A 18 18 SER N N 13 116.280 114.085 2.195 1
1 118 . 15 1 1 A 19 19 ASP H H 14 8.560 8.160 0.400 1
1 119 . 15 1 1 A 19 19 ASP HA H 14 4.630 4.182 0.448 1
1 122 . 15 1 1 A 19 19 ASP CA C 14 54.300 54.670 -0.370 1
1 123 . 15 1 1 A 19 19 ASP CB C 14 40.820 39.348 1.472 1
1 124 . 15 1 1 A 19 19 ASP N N 14 121.330 119.577 1.753 1
1 125 . 15 1 1 A 20 20 LEU H H 15 7.990 8.078 -0.088 1
1 126 . 15 1 1 A 20 20 LEU HA H 15 4.630 4.414 0.216 1
1 136 . 15 1 1 A 20 20 LEU CA C 15 52.640 53.519 -0.879 1
1 137 . 15 1 1 A 20 20 LEU CB C 15 42.530 41.113 1.417 1
1 141 . 15 1 1 A 20 20 LEU N N 15 121.650 120.874 0.776 1
1 142 . 15 1 1 A 21 21 PRO HA H 16 4.570 4.634 -0.064 1
1 149 . 15 1 1 A 21 21 PRO CA C 16 62.080 62.367 -0.287 1
1 150 . 15 1 1 A 21 21 PRO CB C 16 31.760 33.182 -1.422 1
1 153 . 15 1 1 A 22 22 ALA H H 17 8.410 8.352 0.058 1
1 154 . 15 1 1 A 22 22 ALA HA H 17 4.210 4.529 -0.319 1
1 158 . 15 1 1 A 22 22 ALA CA C 17 53.950 52.726 1.224 1
1 159 . 15 1 1 A 22 22 ALA CB C 17 18.650 19.559 -0.909 1
1 160 . 15 1 1 A 22 22 ALA N N 17 122.940 122.742 0.198 1
1 161 . 15 1 1 A 23 23 GLY H H 18 8.710 8.691 0.019 1
1 162 . 15 1 1 A 23 23 GLY HA2 H 18 3.460 3.777 -0.317 1
1 163 . 15 1 1 A 23 23 GLY HA3 H 18 3.890 3.842 0.048 1
1 164 . 15 1 1 A 23 23 GLY CA C 18 45.110 44.924 0.186 1
1 165 . 15 1 1 A 23 23 GLY N N 18 110.320 110.306 0.014 1
1 166 . 15 1 1 A 24 24 TRP H H 19 7.810 8.012 -0.202 1
1 167 . 15 1 1 A 24 24 TRP HA H 19 5.520 5.275 0.245 1
1 175 . 15 1 1 A 24 24 TRP CA C 19 57.020 56.151 0.869 1
1 176 . 15 1 1 A 24 24 TRP CB C 19 32.270 32.871 -0.601 1
1 177 . 15 1 1 A 24 24 TRP N N 19 118.390 120.383 -1.993 1
1 178 . 15 1 1 A 25 25 MET H H 20 9.570 9.109 0.461 1
1 179 . 15 1 1 A 25 25 MET HA H 20 4.940 5.342 -0.402 1
1 184 . 15 1 1 A 25 25 MET CA C 20 54.390 53.843 0.547 1
1 185 . 15 1 1 A 25 25 MET CB C 20 37.220 36.212 1.008 1
1 187 . 15 1 1 A 25 25 MET N N 20 119.380 124.657 -5.277 1
1 188 . 15 1 1 A 26 26 ARG H H 21 8.880 8.760 0.120 1
1 189 . 15 1 1 A 26 26 ARG HA H 21 4.490 4.642 -0.152 1
1 196 . 15 1 1 A 26 26 ARG CA C 21 55.570 54.494 1.076 1
1 197 . 15 1 1 A 26 26 ARG CB C 21 31.880 32.226 -0.346 1
1 200 . 15 1 1 A 26 26 ARG N N 21 124.980 123.157 1.823 1
1 201 . 15 1 1 A 27 27 VAL H H 22 8.860 8.142 0.718 1
1 202 . 15 1 1 A 27 27 VAL HA H 22 3.960 4.645 -0.685 1
1 210 . 15 1 1 A 27 27 VAL CA C 22 61.320 60.043 1.277 1
1 211 . 15 1 1 A 27 27 VAL CB C 22 33.470 33.764 -0.294 1
1 214 . 15 1 1 A 27 27 VAL N N 22 128.370 126.367 2.003 1
1 215 . 15 1 1 A 28 28 GLN H H 23 8.230 8.641 -0.411 1
1 216 . 15 1 1 A 28 28 GLN HA H 23 4.980 4.825 0.155 1
1 223 . 15 1 1 A 28 28 GLN CA C 23 54.520 54.335 0.185 1
1 224 . 15 1 1 A 28 28 GLN CB C 23 30.560 29.368 1.192 1
1 226 . 15 1 1 A 28 28 GLN N N 23 123.980 122.008 1.972 1
1 228 . 15 1 1 A 29 29 ASP H H 24 8.710 8.728 -0.018 1
1 229 . 15 1 1 A 29 29 ASP HA H 24 4.900 4.807 0.093 1
1 232 . 15 1 1 A 29 29 ASP CA C 24 53.040 54.707 -1.667 1
1 233 . 15 1 1 A 29 29 ASP CB C 24 42.730 42.496 0.234 1
1 234 . 15 1 1 A 29 29 ASP N N 24 126.160 125.466 0.694 1
1 235 . 15 1 1 A 30 30 THR H H 25 8.250 8.659 -0.409 1
1 236 . 15 1 1 A 30 30 THR HA H 25 4.120 4.105 0.015 1
1 241 . 15 1 1 A 30 30 THR CA C 25 65.160 65.084 0.076 1
1 242 . 15 1 1 A 30 30 THR CB C 25 68.870 68.916 -0.046 1
1 244 . 15 1 1 A 30 30 THR N N 25 112.460 119.785 -7.325 1
1 245 . 15 1 1 A 31 31 SER H H 26 8.940 8.301 0.639 1
1 246 . 15 1 1 A 31 31 SER HA H 26 4.560 4.442 0.118 1
1 249 . 15 1 1 A 31 31 SER CA C 26 59.690 60.415 -0.725 1
1 250 . 15 1 1 A 31 31 SER CB C 26 64.170 63.842 0.328 1
1 251 . 15 1 1 A 31 31 SER N N 26 117.280 114.155 3.125 1
1 252 . 15 1 1 A 32 32 GLY H H 27 7.890 7.436 0.454 1
1 253 . 15 1 1 A 32 32 GLY HA2 H 27 3.950 4.201 -0.251 1
1 254 . 15 1 1 A 32 32 GLY HA3 H 27 4.760 4.307 0.453 1
1 255 . 15 1 1 A 32 32 GLY CA C 27 44.820 45.794 -0.974 1
1 256 . 15 1 1 A 32 32 GLY N N 27 110.950 105.499 5.451 1
1 257 . 15 1 1 A 33 33 THR H H 28 8.460 8.764 -0.304 1
1 258 . 15 1 1 A 33 33 THR HA H 28 5.230 5.112 0.118 1
1 263 . 15 1 1 A 33 33 THR CA C 28 61.750 63.267 -1.517 1
1 264 . 15 1 1 A 33 33 THR CB C 28 70.530 69.078 1.452 1
1 266 . 15 1 1 A 33 33 THR N N 28 117.690 116.393 1.297 1
1 267 . 15 1 1 A 34 34 TYR H H 29 8.700 8.518 0.182 1
1 268 . 15 1 1 A 34 34 TYR HA H 29 4.670 5.305 -0.635 1
1 275 . 15 1 1 A 34 34 TYR CA C 29 55.500 55.412 0.088 1
1 276 . 15 1 1 A 34 34 TYR CB C 29 38.140 40.654 -2.514 1
1 277 . 15 1 1 A 34 34 TYR N N 29 123.420 125.211 -1.791 1
1 278 . 15 1 1 A 35 35 TYR H H 30 8.920 8.865 0.055 1
1 279 . 15 1 1 A 35 35 TYR HA H 30 5.330 5.740 -0.410 1
1 286 . 15 1 1 A 35 35 TYR CA C 30 57.550 56.692 0.858 1
1 287 . 15 1 1 A 35 35 TYR CB C 30 41.270 42.767 -1.497 1
1 288 . 15 1 1 A 35 35 TYR N N 30 116.920 116.266 0.654 1
1 289 . 15 1 1 A 36 36 TRP H H 31 9.580 8.763 0.817 1
1 290 . 15 1 1 A 36 36 TRP HA H 31 5.740 5.555 0.185 1
1 299 . 15 1 1 A 36 36 TRP CA C 31 54.290 55.673 -1.383 1
1 300 . 15 1 1 A 36 36 TRP CB C 31 33.420 32.605 0.815 1
1 301 . 15 1 1 A 36 36 TRP N N 31 126.100 124.752 1.348 1
1 303 . 15 1 1 A 37 37 HIS H H 32 8.950 9.128 -0.178 1
1 304 . 15 1 1 A 37 37 HIS HA H 32 3.940 4.414 -0.474 1
1 309 . 15 1 1 A 37 37 HIS CA C 32 55.050 54.399 0.651 1
1 310 . 15 1 1 A 37 37 HIS CB C 32 29.110 29.183 -0.073 1
1 311 . 15 1 1 A 37 37 HIS N N 32 130.940 127.492 3.448 1
1 312 . 15 1 1 A 38 38 ILE H H 33 8.130 7.745 0.385 1
1 313 . 15 1 1 A 38 38 ILE HA H 33 2.920 3.043 -0.123 1
1 323 . 15 1 1 A 38 38 ILE CA C 33 65.700 65.861 -0.161 1
1 324 . 15 1 1 A 38 38 ILE CB C 33 35.350 34.685 0.665 1
1 328 . 15 1 1 A 38 38 ILE N N 33 127.650 125.709 1.941 1
1 329 . 15 1 1 A 39 39 PRO HA H 34 4.120 4.028 0.092 1
1 336 . 15 1 1 A 39 39 PRO CA C 34 65.700 66.207 -0.507 1
1 337 . 15 1 1 A 39 39 PRO CB C 34 32.150 30.590 1.560 1
1 340 . 15 1 1 A 40 40 THR H H 35 6.470 7.065 -0.595 1
1 341 . 15 1 1 A 40 40 THR HA H 35 4.510 4.256 0.254 1
1 346 . 15 1 1 A 40 40 THR CA C 35 61.240 64.022 -2.782 1
1 347 . 15 1 1 A 40 40 THR CB C 35 72.280 69.291 2.989 1
1 349 . 15 1 1 A 40 40 THR N N 35 100.770 110.432 -9.662 1
1 350 . 15 1 1 A 41 41 GLY H H 36 8.530 7.810 0.720 1
1 351 . 15 1 1 A 41 41 GLY HA2 H 36 3.660 4.079 -0.419 1
1 352 . 15 1 1 A 41 41 GLY HA3 H 36 4.210 4.241 -0.031 1
1 353 . 15 1 1 A 41 41 GLY CA C 36 46.220 45.098 1.122 1
1 354 . 15 1 1 A 41 41 GLY N N 36 113.280 108.484 4.796 1
1 355 . 15 1 1 A 42 42 THR H H 37 7.460 7.880 -0.420 1
1 356 . 15 1 1 A 42 42 THR HA H 37 4.260 4.354 -0.094 1
1 361 . 15 1 1 A 42 42 THR CA C 37 63.660 63.083 0.577 1
1 362 . 15 1 1 A 42 42 THR CB C 37 69.960 69.568 0.392 1
1 364 . 15 1 1 A 42 42 THR N N 37 115.720 117.783 -2.063 1
1 365 . 15 1 1 A 43 43 THR H H 38 8.420 8.841 -0.421 1
1 366 . 15 1 1 A 43 43 THR HA H 38 5.920 5.559 0.361 1
1 371 . 15 1 1 A 43 43 THR CA C 38 59.560 59.301 0.259 1
1 372 . 15 1 1 A 43 43 THR CB C 38 72.140 72.112 0.028 1
1 374 . 15 1 1 A 43 43 THR N N 38 116.010 114.934 1.076 1
1 375 . 15 1 1 A 44 44 GLN H H 39 9.180 8.350 0.830 1
1 376 . 15 1 1 A 44 44 GLN HA H 39 4.930 4.913 0.017 1
1 383 . 15 1 1 A 44 44 GLN CA C 39 54.890 54.452 0.438 1
1 384 . 15 1 1 A 44 44 GLN CB C 39 32.550 30.704 1.846 1
1 386 . 15 1 1 A 44 44 GLN N N 39 116.860 118.232 -1.372 1
1 388 . 15 1 1 A 45 45 TRP H H 40 8.890 8.417 0.473 1
1 389 . 15 1 1 A 45 45 TRP HA H 40 4.820 5.209 -0.389 1
1 397 . 15 1 1 A 45 45 TRP CA C 40 59.410 58.407 1.003 1
1 398 . 15 1 1 A 45 45 TRP CB C 40 30.270 32.006 -1.736 1
1 399 . 15 1 1 A 45 45 TRP N N 40 121.200 121.461 -0.261 1
1 400 . 15 1 1 A 46 46 GLU H H 41 7.970 8.306 -0.336 1
1 401 . 15 1 1 A 46 46 GLU HA H 41 4.720 4.821 -0.101 1
1 406 . 15 1 1 A 46 46 GLU CA C 41 54.070 54.178 -0.108 1
1 407 . 15 1 1 A 46 46 GLU CB C 41 29.640 30.119 -0.479 1
1 409 . 15 1 1 A 46 46 GLU N N 41 119.500 117.924 1.576 1
1 410 . 15 1 1 A 47 47 PRO HA H 42 2.900 3.583 -0.683 1
1 417 . 15 1 1 A 47 47 PRO CA C 42 60.700 61.530 -0.830 1
1 418 . 15 1 1 A 47 47 PRO CB C 42 29.760 32.041 -2.281 1
1 421 . 15 1 1 A 48 48 PRO HA H 43 3.770 4.143 -0.373 1
1 428 . 15 1 1 A 48 48 PRO CA C 43 61.890 62.879 -0.989 1
1 429 . 15 1 1 A 48 48 PRO CB C 43 30.880 31.940 -1.060 1
1 432 . 15 1 1 A 49 49 GLY H H 44 8.020 8.157 -0.137 1
1 433 . 15 1 1 A 49 49 GLY HA2 H 44 3.770 4.042 -0.272 1
1 434 . 15 1 1 A 49 49 GLY HA3 H 44 3.770 4.062 -0.292 1
1 435 . 15 1 1 A 49 49 GLY CA C 44 44.770 43.945 0.825 1
1 436 . 15 1 1 A 49 49 GLY N N 44 107.850 107.921 -0.071 1
1 437 . 15 1 1 A 50 50 ARG H H 45 7.980 8.500 -0.520 1
1 438 . 15 1 1 A 50 50 ARG HA H 45 4.280 4.730 -0.450 1
1 445 . 15 1 1 A 50 50 ARG CA C 45 55.730 55.647 0.083 1
1 446 . 15 1 1 A 50 50 ARG CB C 45 31.150 30.371 0.779 1
1 449 . 15 1 1 A 50 50 ARG N N 45 119.870 120.062 -0.192 1
1 450 . 15 1 1 A 51 51 ALA H H 46 8.340 8.558 -0.218 1
1 451 . 15 1 1 A 51 51 ALA HA H 46 4.330 5.065 -0.735 1
1 455 . 15 1 1 A 51 51 ALA CA C 46 52.290 51.237 1.053 1
1 456 . 15 1 1 A 51 51 ALA CB C 46 19.450 21.626 -2.176 1
1 457 . 15 1 1 A 51 51 ALA N N 46 125.360 126.278 -0.918 1
1 458 . 15 1 1 A 52 52 SER H H 47 8.360 8.543 -0.183 1
1 459 . 15 1 1 A 52 52 SER HA H 47 4.730 4.884 -0.154 1
1 462 . 15 1 1 A 52 52 SER CA C 47 56.520 55.873 0.647 1
1 463 . 15 1 1 A 52 52 SER CB C 47 63.460 64.309 -0.849 1
1 464 . 15 1 1 A 52 52 SER N N 47 117.200 117.513 -0.313 1
1 465 . 15 1 1 A 53 53 PRO HA H 48 4.490 4.734 -0.244 1
1 472 . 15 1 1 A 53 53 PRO CA C 48 63.450 62.349 1.101 1
1 473 . 15 1 1 A 53 53 PRO CB C 48 32.280 29.783 2.497 1
1 476 . 15 1 1 A 54 54 SER H H 49 8.420 8.155 0.265 1
1 477 . 15 1 1 A 54 54 SER HA H 49 4.440 4.594 -0.154 1
1 480 . 15 1 1 A 54 54 SER CA C 49 58.490 57.756 0.734 1
1 481 . 15 1 1 A 54 54 SER CB C 49 63.990 64.816 -0.826 1
1 482 . 15 1 1 A 54 54 SER N N 49 116.680 118.197 -1.517 1
1 8 . 16 1 1 A 7 7 SER H H 2 8.110 8.823 -0.713 1
1 9 . 16 1 1 A 7 7 SER HA H 2 4.360 4.728 -0.368 1
1 12 . 16 1 1 A 7 7 SER CA C 2 58.690 58.601 0.089 1
1 13 . 16 1 1 A 7 7 SER CB C 2 63.740 65.111 -1.371 1
1 14 . 16 1 1 A 7 7 SER N N 2 115.530 116.141 -0.611 1
1 15 . 16 1 1 A 8 8 PHE H H 3 8.100 8.879 -0.779 1
1 16 . 16 1 1 A 8 8 PHE HA H 3 4.580 4.345 0.235 1
1 21 . 16 1 1 A 8 8 PHE CA C 3 57.940 60.631 -2.691 1
1 22 . 16 1 1 A 8 8 PHE CB C 3 39.440 37.788 1.652 1
1 23 . 16 1 1 A 8 8 PHE N N 3 121.690 117.735 3.955 1
1 24 . 16 1 1 A 9 9 TRP H H 4 7.960 6.774 1.186 1
1 25 . 16 1 1 A 9 9 TRP HA H 4 4.580 4.115 0.465 1
1 33 . 16 1 1 A 9 9 TRP CA C 4 57.320 58.600 -1.280 1
1 34 . 16 1 1 A 9 9 TRP CB C 4 29.740 27.749 1.991 1
1 35 . 16 1 1 A 9 9 TRP N N 4 122.750 118.224 4.526 1
1 36 . 16 1 1 A 10 10 ASN H H 5 7.960 7.092 0.868 1
1 37 . 16 1 1 A 10 10 ASN HA H 5 4.770 4.604 0.166 1
1 42 . 16 1 1 A 10 10 ASN CA C 5 50.520 49.660 0.860 1
1 43 . 16 1 1 A 10 10 ASN CB C 5 39.570 37.682 1.888 1
1 44 . 16 1 1 A 10 10 ASN N N 5 122.600 117.432 5.168 1
1 46 . 16 1 1 A 11 11 PRO HA H 6 4.090 4.234 -0.144 1
1 53 . 16 1 1 A 11 11 PRO CA C 6 63.660 66.215 -2.555 1
1 54 . 16 1 1 A 11 11 PRO CB C 6 32.160 31.195 0.965 1
1 57 . 16 1 1 A 12 12 ASN H H 7 8.100 8.079 0.021 1
1 58 . 16 1 1 A 12 12 ASN HA H 7 4.640 4.528 0.112 1
1 63 . 16 1 1 A 12 12 ASN CA C 7 53.330 55.498 -2.168 1
1 64 . 16 1 1 A 12 12 ASN CB C 7 38.910 38.909 0.001 1
1 65 . 16 1 1 A 12 12 ASN N N 7 116.820 114.982 1.838 1
1 67 . 16 1 1 A 13 13 ALA H H 8 7.760 7.849 -0.089 1
1 68 . 16 1 1 A 13 13 ALA HA H 8 4.190 3.971 0.219 1
1 72 . 16 1 1 A 13 13 ALA CA C 8 52.840 52.917 -0.077 1
1 73 . 16 1 1 A 13 13 ALA CB C 8 19.240 17.256 1.984 1
1 74 . 16 1 1 A 13 13 ALA N N 8 123.280 120.060 3.220 1
1 75 . 16 1 1 A 14 14 PHE H H 9 7.980 7.894 0.086 1
1 76 . 16 1 1 A 14 14 PHE HA H 9 4.680 4.671 0.009 1
1 81 . 16 1 1 A 14 14 PHE CA C 9 57.310 57.493 -0.183 1
1 82 . 16 1 1 A 14 14 PHE CB C 9 39.790 39.441 0.349 1
1 83 . 16 1 1 A 14 14 PHE N N 9 118.120 116.684 1.436 1
1 84 . 16 1 1 A 15 15 GLU H H 10 8.340 7.884 0.456 1
1 85 . 16 1 1 A 15 15 GLU HA H 10 4.410 5.034 -0.624 1
1 90 . 16 1 1 A 15 15 GLU CA C 10 56.550 54.840 1.710 1
1 91 . 16 1 1 A 15 15 GLU CB C 10 30.750 32.499 -1.749 1
1 93 . 16 1 1 A 15 15 GLU N N 10 122.120 121.217 0.903 1
1 94 . 16 1 1 A 16 16 THR H H 11 8.230 8.728 -0.498 1
1 95 . 16 1 1 A 16 16 THR HA H 11 4.380 4.688 -0.308 1
1 100 . 16 1 1 A 16 16 THR CA C 11 61.900 60.482 1.418 1
1 101 . 16 1 1 A 16 16 THR CB C 11 69.890 71.113 -1.223 1
1 103 . 16 1 1 A 16 16 THR N N 11 114.830 116.475 -1.645 1
1 104 . 16 1 1 A 17 17 ASP H H 12 8.480 8.424 0.056 1
1 105 . 16 1 1 A 17 17 ASP HA H 12 4.710 4.641 0.069 1
1 108 . 16 1 1 A 17 17 ASP CA C 12 54.650 54.955 -0.305 1
1 109 . 16 1 1 A 17 17 ASP CB C 12 41.480 41.106 0.374 1
1 110 . 16 1 1 A 17 17 ASP N N 12 122.650 122.879 -0.229 1
1 111 . 16 1 1 A 18 18 SER H H 13 8.330 8.891 -0.561 1
1 112 . 16 1 1 A 18 18 SER HA H 13 4.430 4.222 0.208 1
1 115 . 16 1 1 A 18 18 SER CA C 13 59.130 61.475 -2.345 1
1 116 . 16 1 1 A 18 18 SER CB C 13 63.900 62.787 1.113 1
1 117 . 16 1 1 A 18 18 SER N N 13 116.280 116.770 -0.490 1
1 118 . 16 1 1 A 19 19 ASP H H 14 8.560 8.289 0.271 1
1 119 . 16 1 1 A 19 19 ASP HA H 14 4.630 4.880 -0.250 1
1 122 . 16 1 1 A 19 19 ASP CA C 14 54.300 53.179 1.121 1
1 123 . 16 1 1 A 19 19 ASP CB C 14 40.820 41.452 -0.632 1
1 124 . 16 1 1 A 19 19 ASP N N 14 121.330 118.592 2.738 1
1 125 . 16 1 1 A 20 20 LEU H H 15 7.990 7.882 0.108 1
1 126 . 16 1 1 A 20 20 LEU HA H 15 4.630 4.490 0.140 1
1 136 . 16 1 1 A 20 20 LEU CA C 15 52.640 52.768 -0.128 1
1 137 . 16 1 1 A 20 20 LEU CB C 15 42.530 41.144 1.386 1
1 141 . 16 1 1 A 20 20 LEU N N 15 121.650 122.698 -1.048 1
1 142 . 16 1 1 A 21 21 PRO HA H 16 4.570 4.653 -0.083 1
1 149 . 16 1 1 A 21 21 PRO CA C 16 62.080 62.299 -0.219 1
1 150 . 16 1 1 A 21 21 PRO CB C 16 31.760 33.185 -1.425 1
1 153 . 16 1 1 A 22 22 ALA H H 17 8.410 8.345 0.065 1
1 154 . 16 1 1 A 22 22 ALA HA H 17 4.210 4.339 -0.129 1
1 158 . 16 1 1 A 22 22 ALA CA C 17 53.950 52.810 1.140 1
1 159 . 16 1 1 A 22 22 ALA CB C 17 18.650 19.795 -1.145 1
1 160 . 16 1 1 A 22 22 ALA N N 17 122.940 123.255 -0.315 1
1 161 . 16 1 1 A 23 23 GLY H H 18 8.710 8.727 -0.017 1
1 162 . 16 1 1 A 23 23 GLY HA2 H 18 3.460 3.718 -0.258 1
1 163 . 16 1 1 A 23 23 GLY HA3 H 18 3.890 3.739 0.151 1
1 164 . 16 1 1 A 23 23 GLY CA C 18 45.110 45.432 -0.322 1
1 165 . 16 1 1 A 23 23 GLY N N 18 110.320 109.701 0.619 1
1 166 . 16 1 1 A 24 24 TRP H H 19 7.810 7.943 -0.133 1
1 167 . 16 1 1 A 24 24 TRP HA H 19 5.520 5.186 0.334 1
1 175 . 16 1 1 A 24 24 TRP CA C 19 57.020 55.941 1.079 1
1 176 . 16 1 1 A 24 24 TRP CB C 19 32.270 33.127 -0.857 1
1 177 . 16 1 1 A 24 24 TRP N N 19 118.390 120.445 -2.055 1
1 178 . 16 1 1 A 25 25 MET H H 20 9.570 9.102 0.468 1
1 179 . 16 1 1 A 25 25 MET HA H 20 4.940 5.360 -0.420 1
1 184 . 16 1 1 A 25 25 MET CA C 20 54.390 54.148 0.242 1
1 185 . 16 1 1 A 25 25 MET CB C 20 37.220 35.935 1.285 1
1 187 . 16 1 1 A 25 25 MET N N 20 119.380 124.553 -5.173 1
1 188 . 16 1 1 A 26 26 ARG H H 21 8.880 8.818 0.062 1
1 189 . 16 1 1 A 26 26 ARG HA H 21 4.490 4.919 -0.429 1
1 196 . 16 1 1 A 26 26 ARG CA C 21 55.570 54.660 0.910 1
1 197 . 16 1 1 A 26 26 ARG CB C 21 31.880 32.705 -0.825 1
1 200 . 16 1 1 A 26 26 ARG N N 21 124.980 123.896 1.084 1
1 201 . 16 1 1 A 27 27 VAL H H 22 8.860 8.291 0.569 1
1 202 . 16 1 1 A 27 27 VAL HA H 22 3.960 4.769 -0.809 1
1 210 . 16 1 1 A 27 27 VAL CA C 22 61.320 59.744 1.576 1
1 211 . 16 1 1 A 27 27 VAL CB C 22 33.470 34.082 -0.612 1
1 214 . 16 1 1 A 27 27 VAL N N 22 128.370 125.996 2.374 1
1 215 . 16 1 1 A 28 28 GLN H H 23 8.230 8.677 -0.447 1
1 216 . 16 1 1 A 28 28 GLN HA H 23 4.980 4.845 0.135 1
1 223 . 16 1 1 A 28 28 GLN CA C 23 54.520 54.334 0.186 1
1 224 . 16 1 1 A 28 28 GLN CB C 23 30.560 29.451 1.109 1
1 226 . 16 1 1 A 28 28 GLN N N 23 123.980 122.140 1.840 1
1 228 . 16 1 1 A 29 29 ASP H H 24 8.710 8.701 0.009 1
1 229 . 16 1 1 A 29 29 ASP HA H 24 4.900 5.009 -0.109 1
1 232 . 16 1 1 A 29 29 ASP CA C 24 53.040 54.371 -1.331 1
1 233 . 16 1 1 A 29 29 ASP CB C 24 42.730 42.048 0.682 1
1 234 . 16 1 1 A 29 29 ASP N N 24 126.160 125.685 0.475 1
1 235 . 16 1 1 A 30 30 THR H H 25 8.250 8.926 -0.676 1
1 236 . 16 1 1 A 30 30 THR HA H 25 4.120 3.945 0.175 1
1 241 . 16 1 1 A 30 30 THR CA C 25 65.160 65.486 -0.326 1
1 242 . 16 1 1 A 30 30 THR CB C 25 68.870 68.158 0.712 1
1 244 . 16 1 1 A 30 30 THR N N 25 112.460 118.393 -5.933 1
1 245 . 16 1 1 A 31 31 SER H H 26 8.940 8.083 0.857 1
1 246 . 16 1 1 A 31 31 SER HA H 26 4.560 4.439 0.121 1
1 249 . 16 1 1 A 31 31 SER CA C 26 59.690 59.659 0.031 1
1 250 . 16 1 1 A 31 31 SER CB C 26 64.170 64.394 -0.224 1
1 251 . 16 1 1 A 31 31 SER N N 26 117.280 114.371 2.909 1
1 252 . 16 1 1 A 32 32 GLY H H 27 7.890 7.424 0.466 1
1 253 . 16 1 1 A 32 32 GLY HA2 H 27 3.950 4.164 -0.214 1
1 254 . 16 1 1 A 32 32 GLY HA3 H 27 4.760 4.240 0.520 1
1 255 . 16 1 1 A 32 32 GLY CA C 27 44.820 45.422 -0.602 1
1 256 . 16 1 1 A 32 32 GLY N N 27 110.950 107.645 3.305 1
1 257 . 16 1 1 A 33 33 THR H H 28 8.460 8.684 -0.224 1
1 258 . 16 1 1 A 33 33 THR HA H 28 5.230 5.000 0.230 1
1 263 . 16 1 1 A 33 33 THR CA C 28 61.750 63.293 -1.543 1
1 264 . 16 1 1 A 33 33 THR CB C 28 70.530 68.943 1.587 1
1 266 . 16 1 1 A 33 33 THR N N 28 117.690 116.288 1.402 1
1 267 . 16 1 1 A 34 34 TYR H H 29 8.700 8.569 0.131 1
1 268 . 16 1 1 A 34 34 TYR HA H 29 4.670 5.057 -0.387 1
1 275 . 16 1 1 A 34 34 TYR CA C 29 55.500 55.203 0.297 1
1 276 . 16 1 1 A 34 34 TYR CB C 29 38.140 40.585 -2.445 1
1 277 . 16 1 1 A 34 34 TYR N N 29 123.420 125.168 -1.748 1
1 278 . 16 1 1 A 35 35 TYR H H 30 8.920 8.247 0.673 1
1 279 . 16 1 1 A 35 35 TYR HA H 30 5.330 5.719 -0.389 1
1 286 . 16 1 1 A 35 35 TYR CA C 30 57.550 56.714 0.836 1
1 287 . 16 1 1 A 35 35 TYR CB C 30 41.270 42.714 -1.444 1
1 288 . 16 1 1 A 35 35 TYR N N 30 116.920 116.105 0.815 1
1 289 . 16 1 1 A 36 36 TRP H H 31 9.580 8.769 0.811 1
1 290 . 16 1 1 A 36 36 TRP HA H 31 5.740 5.597 0.143 1
1 299 . 16 1 1 A 36 36 TRP CA C 31 54.290 55.223 -0.933 1
1 300 . 16 1 1 A 36 36 TRP CB C 31 33.420 32.389 1.031 1
1 301 . 16 1 1 A 36 36 TRP N N 31 126.100 124.268 1.832 1
1 303 . 16 1 1 A 37 37 HIS H H 32 8.950 9.138 -0.188 1
1 304 . 16 1 1 A 37 37 HIS HA H 32 3.940 4.108 -0.168 1
1 309 . 16 1 1 A 37 37 HIS CA C 32 55.050 54.477 0.573 1
1 310 . 16 1 1 A 37 37 HIS CB C 32 29.110 29.116 -0.006 1
1 311 . 16 1 1 A 37 37 HIS N N 32 130.940 127.295 3.645 1
1 312 . 16 1 1 A 38 38 ILE H H 33 8.130 7.746 0.384 1
1 313 . 16 1 1 A 38 38 ILE HA H 33 2.920 2.993 -0.073 1
1 323 . 16 1 1 A 38 38 ILE CA C 33 65.700 65.794 -0.094 1
1 324 . 16 1 1 A 38 38 ILE CB C 33 35.350 34.808 0.542 1
1 328 . 16 1 1 A 38 38 ILE N N 33 127.650 125.775 1.875 1
1 329 . 16 1 1 A 39 39 PRO HA H 34 4.120 4.027 0.093 1
1 336 . 16 1 1 A 39 39 PRO CA C 34 65.700 66.124 -0.424 1
1 337 . 16 1 1 A 39 39 PRO CB C 34 32.150 30.507 1.643 1
1 340 . 16 1 1 A 40 40 THR H H 35 6.470 7.139 -0.669 1
1 341 . 16 1 1 A 40 40 THR HA H 35 4.510 4.300 0.210 1
1 346 . 16 1 1 A 40 40 THR CA C 35 61.240 63.782 -2.542 1
1 347 . 16 1 1 A 40 40 THR CB C 35 72.280 69.364 2.916 1
1 349 . 16 1 1 A 40 40 THR N N 35 100.770 109.989 -9.219 1
1 350 . 16 1 1 A 41 41 GLY H H 36 8.530 7.887 0.643 1
1 351 . 16 1 1 A 41 41 GLY HA2 H 36 3.660 4.143 -0.483 1
1 352 . 16 1 1 A 41 41 GLY HA3 H 36 4.210 4.317 -0.107 1
1 353 . 16 1 1 A 41 41 GLY CA C 36 46.220 45.089 1.131 1
1 354 . 16 1 1 A 41 41 GLY N N 36 113.280 108.436 4.844 1
1 355 . 16 1 1 A 42 42 THR H H 37 7.460 7.793 -0.333 1
1 356 . 16 1 1 A 42 42 THR HA H 37 4.260 4.409 -0.149 1
1 361 . 16 1 1 A 42 42 THR CA C 37 63.660 63.048 0.612 1
1 362 . 16 1 1 A 42 42 THR CB C 37 69.960 69.608 0.352 1
1 364 . 16 1 1 A 42 42 THR N N 37 115.720 117.504 -1.784 1
1 365 . 16 1 1 A 43 43 THR H H 38 8.420 8.845 -0.425 1
1 366 . 16 1 1 A 43 43 THR HA H 38 5.920 5.521 0.399 1
1 371 . 16 1 1 A 43 43 THR CA C 38 59.560 59.370 0.190 1
1 372 . 16 1 1 A 43 43 THR CB C 38 72.140 72.100 0.040 1
1 374 . 16 1 1 A 43 43 THR N N 38 116.010 114.838 1.172 1
1 375 . 16 1 1 A 44 44 GLN H H 39 9.180 8.286 0.894 1
1 376 . 16 1 1 A 44 44 GLN HA H 39 4.930 4.957 -0.027 1
1 383 . 16 1 1 A 44 44 GLN CA C 39 54.890 53.827 1.063 1
1 384 . 16 1 1 A 44 44 GLN CB C 39 32.550 32.821 -0.271 1
1 386 . 16 1 1 A 44 44 GLN N N 39 116.860 118.447 -1.587 1
1 388 . 16 1 1 A 45 45 TRP H H 40 8.890 8.787 0.103 1
1 389 . 16 1 1 A 45 45 TRP HA H 40 4.820 5.274 -0.454 1
1 397 . 16 1 1 A 45 45 TRP CA C 40 59.410 57.341 2.069 1
1 398 . 16 1 1 A 45 45 TRP CB C 40 30.270 31.261 -0.991 1
1 399 . 16 1 1 A 45 45 TRP N N 40 121.200 119.440 1.760 1
1 400 . 16 1 1 A 46 46 GLU H H 41 7.970 7.992 -0.022 1
1 401 . 16 1 1 A 46 46 GLU HA H 41 4.720 4.844 -0.124 1
1 406 . 16 1 1 A 46 46 GLU CA C 41 54.070 53.370 0.700 1
1 407 . 16 1 1 A 46 46 GLU CB C 41 29.640 31.097 -1.457 1
1 409 . 16 1 1 A 46 46 GLU N N 41 119.500 119.440 0.060 1
1 410 . 16 1 1 A 47 47 PRO HA H 42 2.900 4.172 -1.272 1
1 417 . 16 1 1 A 47 47 PRO CA C 42 60.700 62.183 -1.483 1
1 418 . 16 1 1 A 47 47 PRO CB C 42 29.760 31.610 -1.850 1
1 421 . 16 1 1 A 48 48 PRO HA H 43 3.770 4.317 -0.547 1
1 428 . 16 1 1 A 48 48 PRO CA C 43 61.890 62.827 -0.937 1
1 429 . 16 1 1 A 48 48 PRO CB C 43 30.880 31.850 -0.970 1
1 432 . 16 1 1 A 49 49 GLY H H 44 8.020 7.987 0.033 1
1 433 . 16 1 1 A 49 49 GLY HA2 H 44 3.770 4.036 -0.266 1
1 434 . 16 1 1 A 49 49 GLY HA3 H 44 3.770 4.048 -0.278 1
1 435 . 16 1 1 A 49 49 GLY CA C 44 44.770 44.474 0.296 1
1 436 . 16 1 1 A 49 49 GLY N N 44 107.850 108.503 -0.653 1
1 437 . 16 1 1 A 50 50 ARG H H 45 7.980 8.423 -0.443 1
1 438 . 16 1 1 A 50 50 ARG HA H 45 4.280 4.840 -0.560 1
1 445 . 16 1 1 A 50 50 ARG CA C 45 55.730 54.589 1.141 1
1 446 . 16 1 1 A 50 50 ARG CB C 45 31.150 33.675 -2.525 1
1 449 . 16 1 1 A 50 50 ARG N N 45 119.870 121.088 -1.218 1
1 450 . 16 1 1 A 51 51 ALA H H 46 8.340 8.571 -0.231 1
1 451 . 16 1 1 A 51 51 ALA HA H 46 4.330 4.042 0.288 1
1 455 . 16 1 1 A 51 51 ALA CA C 46 52.290 53.847 -1.557 1
1 456 . 16 1 1 A 51 51 ALA CB C 46 19.450 18.259 1.191 1
1 457 . 16 1 1 A 51 51 ALA N N 46 125.360 127.707 -2.347 1
1 458 . 16 1 1 A 52 52 SER H H 47 8.360 8.522 -0.162 1
1 459 . 16 1 1 A 52 52 SER HA H 47 4.730 4.694 0.036 1
1 462 . 16 1 1 A 52 52 SER CA C 47 56.520 58.611 -2.091 1
1 463 . 16 1 1 A 52 52 SER CB C 47 63.460 64.473 -1.013 1
1 464 . 16 1 1 A 52 52 SER N N 47 117.200 114.028 3.172 1
1 465 . 16 1 1 A 53 53 PRO HA H 48 4.490 4.630 -0.140 1
1 472 . 16 1 1 A 53 53 PRO CA C 48 63.450 62.551 0.899 1
1 473 . 16 1 1 A 53 53 PRO CB C 48 32.280 33.366 -1.086 1
1 476 . 16 1 1 A 54 54 SER H H 49 8.420 8.485 -0.065 1
1 477 . 16 1 1 A 54 54 SER HA H 49 4.440 5.078 -0.638 1
1 480 . 16 1 1 A 54 54 SER CA C 49 58.490 57.653 0.837 1
1 481 . 16 1 1 A 54 54 SER CB C 49 63.990 65.724 -1.734 1
1 482 . 16 1 1 A 54 54 SER N N 49 116.680 113.329 3.351 1
1 8 . 17 1 1 A 7 7 SER H H 2 8.110 8.922 -0.812 1
1 9 . 17 1 1 A 7 7 SER HA H 2 4.360 4.632 -0.272 1
1 12 . 17 1 1 A 7 7 SER CA C 2 58.690 59.292 -0.602 1
1 13 . 17 1 1 A 7 7 SER CB C 2 63.740 63.854 -0.114 1
1 14 . 17 1 1 A 7 7 SER N N 2 115.530 117.678 -2.148 1
1 15 . 17 1 1 A 8 8 PHE H H 3 8.100 8.360 -0.260 1
1 16 . 17 1 1 A 8 8 PHE HA H 3 4.580 4.743 -0.163 1
1 21 . 17 1 1 A 8 8 PHE CA C 3 57.940 57.625 0.315 1
1 22 . 17 1 1 A 8 8 PHE CB C 3 39.440 39.931 -0.491 1
1 23 . 17 1 1 A 8 8 PHE N N 3 121.690 118.452 3.238 1
1 24 . 17 1 1 A 9 9 TRP H H 4 7.960 8.981 -1.021 1
1 25 . 17 1 1 A 9 9 TRP HA H 4 4.580 4.933 -0.353 1
1 33 . 17 1 1 A 9 9 TRP CA C 4 57.320 58.156 -0.836 1
1 34 . 17 1 1 A 9 9 TRP CB C 4 29.740 32.151 -2.411 1
1 35 . 17 1 1 A 9 9 TRP N N 4 122.750 119.742 3.008 1
1 36 . 17 1 1 A 10 10 ASN H H 5 7.960 8.282 -0.322 1
1 37 . 17 1 1 A 10 10 ASN HA H 5 4.770 5.343 -0.573 1
1 42 . 17 1 1 A 10 10 ASN CA C 5 50.520 50.579 -0.059 1
1 43 . 17 1 1 A 10 10 ASN CB C 5 39.570 39.168 0.402 1
1 44 . 17 1 1 A 10 10 ASN N N 5 122.600 117.721 4.879 1
1 46 . 17 1 1 A 11 11 PRO HA H 6 4.090 4.476 -0.386 1
1 53 . 17 1 1 A 11 11 PRO CA C 6 63.660 66.073 -2.413 1
1 54 . 17 1 1 A 11 11 PRO CB C 6 32.160 31.440 0.720 1
1 57 . 17 1 1 A 12 12 ASN H H 7 8.100 8.141 -0.041 1
1 58 . 17 1 1 A 12 12 ASN HA H 7 4.640 4.889 -0.249 1
1 63 . 17 1 1 A 12 12 ASN CA C 7 53.330 51.669 1.661 1
1 64 . 17 1 1 A 12 12 ASN CB C 7 38.910 38.555 0.355 1
1 65 . 17 1 1 A 12 12 ASN N N 7 116.820 114.953 1.867 1
1 67 . 17 1 1 A 13 13 ALA H H 8 7.760 7.799 -0.039 1
1 68 . 17 1 1 A 13 13 ALA HA H 8 4.190 4.551 -0.361 1
1 72 . 17 1 1 A 13 13 ALA CA C 8 52.840 50.140 2.700 1
1 73 . 17 1 1 A 13 13 ALA CB C 8 19.240 20.428 -1.188 1
1 74 . 17 1 1 A 13 13 ALA N N 8 123.280 124.489 -1.209 1
1 75 . 17 1 1 A 14 14 PHE H H 9 7.980 8.757 -0.777 1
1 76 . 17 1 1 A 14 14 PHE HA H 9 4.680 4.400 0.280 1
1 81 . 17 1 1 A 14 14 PHE CA C 9 57.310 59.841 -2.531 1
1 82 . 17 1 1 A 14 14 PHE CB C 9 39.790 39.612 0.178 1
1 83 . 17 1 1 A 14 14 PHE N N 9 118.120 117.692 0.428 1
1 84 . 17 1 1 A 15 15 GLU H H 10 8.340 8.845 -0.505 1
1 85 . 17 1 1 A 15 15 GLU HA H 10 4.410 4.651 -0.241 1
1 90 . 17 1 1 A 15 15 GLU CA C 10 56.550 55.643 0.907 1
1 91 . 17 1 1 A 15 15 GLU CB C 10 30.750 30.275 0.475 1
1 93 . 17 1 1 A 15 15 GLU N N 10 122.120 126.402 -4.282 1
1 94 . 17 1 1 A 16 16 THR H H 11 8.230 7.587 0.643 1
1 95 . 17 1 1 A 16 16 THR HA H 11 4.380 4.434 -0.054 1
1 100 . 17 1 1 A 16 16 THR CA C 11 61.900 62.509 -0.609 1
1 101 . 17 1 1 A 16 16 THR CB C 11 69.890 69.743 0.147 1
1 103 . 17 1 1 A 16 16 THR N N 11 114.830 114.794 0.036 1
1 104 . 17 1 1 A 17 17 ASP H H 12 8.480 8.533 -0.053 1
1 105 . 17 1 1 A 17 17 ASP HA H 12 4.710 4.681 0.029 1
1 108 . 17 1 1 A 17 17 ASP CA C 12 54.650 54.822 -0.172 1
1 109 . 17 1 1 A 17 17 ASP CB C 12 41.480 41.237 0.243 1
1 110 . 17 1 1 A 17 17 ASP N N 12 122.650 122.743 -0.093 1
1 111 . 17 1 1 A 18 18 SER H H 13 8.330 9.002 -0.672 1
1 112 . 17 1 1 A 18 18 SER HA H 13 4.430 4.567 -0.137 1
1 115 . 17 1 1 A 18 18 SER CA C 13 59.130 59.005 0.125 1
1 116 . 17 1 1 A 18 18 SER CB C 13 63.900 63.382 0.518 1
1 117 . 17 1 1 A 18 18 SER N N 13 116.280 114.428 1.852 1
1 118 . 17 1 1 A 19 19 ASP H H 14 8.560 7.771 0.789 1
1 119 . 17 1 1 A 19 19 ASP HA H 14 4.630 4.910 -0.280 1
1 122 . 17 1 1 A 19 19 ASP CA C 14 54.300 53.104 1.196 1
1 123 . 17 1 1 A 19 19 ASP CB C 14 40.820 40.761 0.059 1
1 124 . 17 1 1 A 19 19 ASP N N 14 121.330 118.055 3.275 1
1 125 . 17 1 1 A 20 20 LEU H H 15 7.990 7.658 0.332 1
1 126 . 17 1 1 A 20 20 LEU HA H 15 4.630 4.384 0.246 1
1 136 . 17 1 1 A 20 20 LEU CA C 15 52.640 53.244 -0.604 1
1 137 . 17 1 1 A 20 20 LEU CB C 15 42.530 40.630 1.900 1
1 141 . 17 1 1 A 20 20 LEU N N 15 121.650 122.575 -0.925 1
1 142 . 17 1 1 A 21 21 PRO HA H 16 4.570 4.626 -0.056 1
1 149 . 17 1 1 A 21 21 PRO CA C 16 62.080 62.270 -0.190 1
1 150 . 17 1 1 A 21 21 PRO CB C 16 31.760 33.267 -1.507 1
1 153 . 17 1 1 A 22 22 ALA H H 17 8.410 8.341 0.069 1
1 154 . 17 1 1 A 22 22 ALA HA H 17 4.210 4.701 -0.491 1
1 158 . 17 1 1 A 22 22 ALA CA C 17 53.950 52.183 1.767 1
1 159 . 17 1 1 A 22 22 ALA CB C 17 18.650 20.065 -1.415 1
1 160 . 17 1 1 A 22 22 ALA N N 17 122.940 122.629 0.311 1
1 161 . 17 1 1 A 23 23 GLY H H 18 8.710 8.779 -0.069 1
1 162 . 17 1 1 A 23 23 GLY HA2 H 18 3.460 3.879 -0.419 1
1 163 . 17 1 1 A 23 23 GLY HA3 H 18 3.890 3.925 -0.035 1
1 164 . 17 1 1 A 23 23 GLY CA C 18 45.110 45.118 -0.008 1
1 165 . 17 1 1 A 23 23 GLY N N 18 110.320 110.479 -0.159 1
1 166 . 17 1 1 A 24 24 TRP H H 19 7.810 7.995 -0.185 1
1 167 . 17 1 1 A 24 24 TRP HA H 19 5.520 4.944 0.576 1
1 175 . 17 1 1 A 24 24 TRP CA C 19 57.020 56.435 0.585 1
1 176 . 17 1 1 A 24 24 TRP CB C 19 32.270 31.710 0.560 1
1 177 . 17 1 1 A 24 24 TRP N N 19 118.390 120.629 -2.239 1
1 178 . 17 1 1 A 25 25 MET H H 20 9.570 8.997 0.573 1
1 179 . 17 1 1 A 25 25 MET HA H 20 4.940 5.233 -0.293 1
1 184 . 17 1 1 A 25 25 MET CA C 20 54.390 54.188 0.202 1
1 185 . 17 1 1 A 25 25 MET CB C 20 37.220 35.442 1.778 1
1 187 . 17 1 1 A 25 25 MET N N 20 119.380 122.747 -3.367 1
1 188 . 17 1 1 A 26 26 ARG H H 21 8.880 8.826 0.054 1
1 189 . 17 1 1 A 26 26 ARG HA H 21 4.490 5.083 -0.593 1
1 196 . 17 1 1 A 26 26 ARG CA C 21 55.570 54.668 0.902 1
1 197 . 17 1 1 A 26 26 ARG CB C 21 31.880 32.932 -1.052 1
1 200 . 17 1 1 A 26 26 ARG N N 21 124.980 123.024 1.956 1
1 201 . 17 1 1 A 27 27 VAL H H 22 8.860 8.292 0.568 1
1 202 . 17 1 1 A 27 27 VAL HA H 22 3.960 4.748 -0.788 1
1 210 . 17 1 1 A 27 27 VAL CA C 22 61.320 59.739 1.581 1
1 211 . 17 1 1 A 27 27 VAL CB C 22 33.470 34.407 -0.937 1
1 214 . 17 1 1 A 27 27 VAL N N 22 128.370 125.590 2.780 1
1 215 . 17 1 1 A 28 28 GLN H H 23 8.230 8.622 -0.392 1
1 216 . 17 1 1 A 28 28 GLN HA H 23 4.980 4.822 0.158 1
1 223 . 17 1 1 A 28 28 GLN CA C 23 54.520 54.384 0.136 1
1 224 . 17 1 1 A 28 28 GLN CB C 23 30.560 30.481 0.079 1
1 226 . 17 1 1 A 28 28 GLN N N 23 123.980 124.586 -0.606 1
1 228 . 17 1 1 A 29 29 ASP H H 24 8.710 8.429 0.281 1
1 229 . 17 1 1 A 29 29 ASP HA H 24 4.900 4.976 -0.076 1
1 232 . 17 1 1 A 29 29 ASP CA C 24 53.040 52.699 0.341 1
1 233 . 17 1 1 A 29 29 ASP CB C 24 42.730 43.191 -0.461 1
1 234 . 17 1 1 A 29 29 ASP N N 24 126.160 127.622 -1.462 1
1 235 . 17 1 1 A 30 30 THR H H 25 8.250 8.868 -0.618 1
1 236 . 17 1 1 A 30 30 THR HA H 25 4.120 3.988 0.132 1
1 241 . 17 1 1 A 30 30 THR CA C 25 65.160 65.810 -0.650 1
1 242 . 17 1 1 A 30 30 THR CB C 25 68.870 68.255 0.615 1
1 244 . 17 1 1 A 30 30 THR N N 25 112.460 116.577 -4.117 1
1 245 . 17 1 1 A 31 31 SER H H 26 8.940 8.050 0.890 1
1 246 . 17 1 1 A 31 31 SER HA H 26 4.560 4.306 0.254 1
1 249 . 17 1 1 A 31 31 SER CA C 26 59.690 61.994 -2.304 1
1 250 . 17 1 1 A 31 31 SER CB C 26 64.170 63.827 0.343 1
1 251 . 17 1 1 A 31 31 SER N N 26 117.280 117.085 0.195 1
1 252 . 17 1 1 A 32 32 GLY H H 27 7.890 7.452 0.438 1
1 253 . 17 1 1 A 32 32 GLY HA2 H 27 3.950 4.171 -0.221 1
1 254 . 17 1 1 A 32 32 GLY HA3 H 27 4.760 4.280 0.480 1
1 255 . 17 1 1 A 32 32 GLY CA C 27 44.820 45.802 -0.982 1
1 256 . 17 1 1 A 32 32 GLY N N 27 110.950 105.601 5.349 1
1 257 . 17 1 1 A 33 33 THR H H 28 8.460 8.682 -0.222 1
1 258 . 17 1 1 A 33 33 THR HA H 28 5.230 4.997 0.233 1
1 263 . 17 1 1 A 33 33 THR CA C 28 61.750 63.176 -1.426 1
1 264 . 17 1 1 A 33 33 THR CB C 28 70.530 69.026 1.504 1
1 266 . 17 1 1 A 33 33 THR N N 28 117.690 116.324 1.366 1
1 267 . 17 1 1 A 34 34 TYR H H 29 8.700 8.410 0.290 1
1 268 . 17 1 1 A 34 34 TYR HA H 29 4.670 4.992 -0.322 1
1 275 . 17 1 1 A 34 34 TYR CA C 29 55.500 55.017 0.483 1
1 276 . 17 1 1 A 34 34 TYR CB C 29 38.140 40.784 -2.644 1
1 277 . 17 1 1 A 34 34 TYR N N 29 123.420 125.002 -1.582 1
1 278 . 17 1 1 A 35 35 TYR H H 30 8.920 8.837 0.083 1
1 279 . 17 1 1 A 35 35 TYR HA H 30 5.330 5.699 -0.369 1
1 286 . 17 1 1 A 35 35 TYR CA C 30 57.550 56.535 1.015 1
1 287 . 17 1 1 A 35 35 TYR CB C 30 41.270 41.681 -0.411 1
1 288 . 17 1 1 A 35 35 TYR N N 30 116.920 116.610 0.310 1
1 289 . 17 1 1 A 36 36 TRP H H 31 9.580 8.957 0.623 1
1 290 . 17 1 1 A 36 36 TRP HA H 31 5.740 5.347 0.393 1
1 299 . 17 1 1 A 36 36 TRP CA C 31 54.290 56.374 -2.084 1
1 300 . 17 1 1 A 36 36 TRP CB C 31 33.420 31.114 2.306 1
1 301 . 17 1 1 A 36 36 TRP N N 31 126.100 126.073 0.027 1
1 303 . 17 1 1 A 37 37 HIS H H 32 8.950 9.064 -0.114 1
1 304 . 17 1 1 A 37 37 HIS HA H 32 3.940 3.931 0.009 1
1 309 . 17 1 1 A 37 37 HIS CA C 32 55.050 54.994 0.056 1
1 310 . 17 1 1 A 37 37 HIS CB C 32 29.110 29.679 -0.569 1
1 311 . 17 1 1 A 37 37 HIS N N 32 130.940 127.518 3.422 1
1 312 . 17 1 1 A 38 38 ILE H H 33 8.130 8.159 -0.029 1
1 313 . 17 1 1 A 38 38 ILE HA H 33 2.920 3.278 -0.358 1
1 323 . 17 1 1 A 38 38 ILE CA C 33 65.700 65.986 -0.286 1
1 324 . 17 1 1 A 38 38 ILE CB C 33 35.350 35.070 0.280 1
1 328 . 17 1 1 A 38 38 ILE N N 33 127.650 127.235 0.415 1
1 329 . 17 1 1 A 39 39 PRO HA H 34 4.120 4.120 0.000 1
1 336 . 17 1 1 A 39 39 PRO CA C 34 65.700 66.078 -0.378 1
1 337 . 17 1 1 A 39 39 PRO CB C 34 32.150 30.538 1.612 1
1 340 . 17 1 1 A 40 40 THR H H 35 6.470 7.014 -0.544 1
1 341 . 17 1 1 A 40 40 THR HA H 35 4.510 4.075 0.435 1
1 346 . 17 1 1 A 40 40 THR CA C 35 61.240 62.264 -1.024 1
1 347 . 17 1 1 A 40 40 THR CB C 35 72.280 69.923 2.357 1
1 349 . 17 1 1 A 40 40 THR N N 35 100.770 109.103 -8.333 1
1 350 . 17 1 1 A 41 41 GLY H H 36 8.530 7.702 0.828 1
1 351 . 17 1 1 A 41 41 GLY HA2 H 36 3.660 4.042 -0.382 1
1 352 . 17 1 1 A 41 41 GLY HA3 H 36 4.210 4.158 0.052 1
1 353 . 17 1 1 A 41 41 GLY CA C 36 46.220 46.187 0.033 1
1 354 . 17 1 1 A 41 41 GLY N N 36 113.280 112.005 1.275 1
1 355 . 17 1 1 A 42 42 THR H H 37 7.460 7.817 -0.357 1
1 356 . 17 1 1 A 42 42 THR HA H 37 4.260 4.546 -0.286 1
1 361 . 17 1 1 A 42 42 THR CA C 37 63.660 62.427 1.233 1
1 362 . 17 1 1 A 42 42 THR CB C 37 69.960 69.903 0.057 1
1 364 . 17 1 1 A 42 42 THR N N 37 115.720 117.167 -1.447 1
1 365 . 17 1 1 A 43 43 THR H H 38 8.420 9.116 -0.696 1
1 366 . 17 1 1 A 43 43 THR HA H 38 5.920 5.728 0.192 1
1 371 . 17 1 1 A 43 43 THR CA C 38 59.560 59.324 0.236 1
1 372 . 17 1 1 A 43 43 THR CB C 38 72.140 72.068 0.072 1
1 374 . 17 1 1 A 43 43 THR N N 38 116.010 113.843 2.167 1
1 375 . 17 1 1 A 44 44 GLN H H 39 9.180 8.329 0.851 1
1 376 . 17 1 1 A 44 44 GLN HA H 39 4.930 4.960 -0.030 1
1 383 . 17 1 1 A 44 44 GLN CA C 39 54.890 54.508 0.382 1
1 384 . 17 1 1 A 44 44 GLN CB C 39 32.550 30.781 1.769 1
1 386 . 17 1 1 A 44 44 GLN N N 39 116.860 118.399 -1.539 1
1 388 . 17 1 1 A 45 45 TRP H H 40 8.890 8.526 0.364 1
1 389 . 17 1 1 A 45 45 TRP HA H 40 4.820 5.092 -0.272 1
1 397 . 17 1 1 A 45 45 TRP CA C 40 59.410 58.386 1.024 1
1 398 . 17 1 1 A 45 45 TRP CB C 40 30.270 31.970 -1.700 1
1 399 . 17 1 1 A 45 45 TRP N N 40 121.200 121.200 0.000 1
1 400 . 17 1 1 A 46 46 GLU H H 41 7.970 8.315 -0.345 1
1 401 . 17 1 1 A 46 46 GLU HA H 41 4.720 4.886 -0.166 1
1 406 . 17 1 1 A 46 46 GLU CA C 41 54.070 54.397 -0.327 1
1 407 . 17 1 1 A 46 46 GLU CB C 41 29.640 29.677 -0.037 1
1 409 . 17 1 1 A 46 46 GLU N N 41 119.500 118.474 1.026 1
1 410 . 17 1 1 A 47 47 PRO HA H 42 2.900 3.633 -0.733 1
1 417 . 17 1 1 A 47 47 PRO CA C 42 60.700 61.596 -0.896 1
1 418 . 17 1 1 A 47 47 PRO CB C 42 29.760 31.634 -1.874 1
1 421 . 17 1 1 A 48 48 PRO HA H 43 3.770 4.345 -0.575 1
1 428 . 17 1 1 A 48 48 PRO CA C 43 61.890 61.865 0.025 1
1 429 . 17 1 1 A 48 48 PRO CB C 43 30.880 28.599 2.281 1
1 432 . 17 1 1 A 49 49 GLY H H 44 8.020 8.284 -0.264 1
1 433 . 17 1 1 A 49 49 GLY HA2 H 44 3.770 4.091 -0.321 1
1 434 . 17 1 1 A 49 49 GLY HA3 H 44 3.770 4.109 -0.339 1
1 435 . 17 1 1 A 49 49 GLY CA C 44 44.770 44.106 0.664 1
1 436 . 17 1 1 A 49 49 GLY N N 44 107.850 110.233 -2.383 1
1 437 . 17 1 1 A 50 50 ARG H H 45 7.980 8.517 -0.537 1
1 438 . 17 1 1 A 50 50 ARG HA H 45 4.280 4.218 0.062 1
1 445 . 17 1 1 A 50 50 ARG CA C 45 55.730 56.257 -0.527 1
1 446 . 17 1 1 A 50 50 ARG CB C 45 31.150 30.805 0.345 1
1 449 . 17 1 1 A 50 50 ARG N N 45 119.870 120.037 -0.167 1
1 450 . 17 1 1 A 51 51 ALA H H 46 8.340 8.955 -0.615 1
1 451 . 17 1 1 A 51 51 ALA HA H 46 4.330 3.848 0.482 1
1 455 . 17 1 1 A 51 51 ALA CA C 46 52.290 54.202 -1.912 1
1 456 . 17 1 1 A 51 51 ALA CB C 46 19.450 18.203 1.247 1
1 457 . 17 1 1 A 51 51 ALA N N 46 125.360 121.989 3.371 1
1 458 . 17 1 1 A 52 52 SER H H 47 8.360 8.307 0.053 1
1 459 . 17 1 1 A 52 52 SER HA H 47 4.730 4.310 0.420 1
1 462 . 17 1 1 A 52 52 SER CA C 47 56.520 59.718 -3.198 1
1 463 . 17 1 1 A 52 52 SER CB C 47 63.460 62.479 0.981 1
1 464 . 17 1 1 A 52 52 SER N N 47 117.200 114.178 3.022 1
1 465 . 17 1 1 A 53 53 PRO HA H 48 4.490 4.662 -0.172 1
1 472 . 17 1 1 A 53 53 PRO CA C 48 63.450 62.394 1.056 1
1 473 . 17 1 1 A 53 53 PRO CB C 48 32.280 33.249 -0.969 1
1 476 . 17 1 1 A 54 54 SER H H 49 8.420 8.671 -0.251 1
1 477 . 17 1 1 A 54 54 SER HA H 49 4.440 4.987 -0.547 1
1 480 . 17 1 1 A 54 54 SER CA C 49 58.490 57.429 1.061 1
1 481 . 17 1 1 A 54 54 SER CB C 49 63.990 65.186 -1.196 1
1 482 . 17 1 1 A 54 54 SER N N 49 116.680 116.758 -0.078 1
1 8 . 18 1 1 A 7 7 SER H H 2 8.110 8.949 -0.839 1
1 9 . 18 1 1 A 7 7 SER HA H 2 4.360 4.164 0.196 1
1 12 . 18 1 1 A 7 7 SER CA C 2 58.690 58.924 -0.234 1
1 13 . 18 1 1 A 7 7 SER CB C 2 63.740 61.628 2.112 1
1 14 . 18 1 1 A 7 7 SER N N 2 115.530 115.077 0.453 1
1 15 . 18 1 1 A 8 8 PHE H H 3 8.100 8.374 -0.274 1
1 16 . 18 1 1 A 8 8 PHE HA H 3 4.580 4.737 -0.157 1
1 21 . 18 1 1 A 8 8 PHE CA C 3 57.940 56.285 1.655 1
1 22 . 18 1 1 A 8 8 PHE CB C 3 39.440 38.405 1.035 1
1 23 . 18 1 1 A 8 8 PHE N N 3 121.690 122.834 -1.144 1
1 24 . 18 1 1 A 9 9 TRP H H 4 7.960 7.893 0.067 1
1 25 . 18 1 1 A 9 9 TRP HA H 4 4.580 4.988 -0.408 1
1 33 . 18 1 1 A 9 9 TRP CA C 4 57.320 58.535 -1.215 1
1 34 . 18 1 1 A 9 9 TRP CB C 4 29.740 31.140 -1.400 1
1 35 . 18 1 1 A 9 9 TRP N N 4 122.750 122.038 0.712 1
1 36 . 18 1 1 A 10 10 ASN H H 5 7.960 8.247 -0.287 1
1 37 . 18 1 1 A 10 10 ASN HA H 5 4.770 5.322 -0.552 1
1 42 . 18 1 1 A 10 10 ASN CA C 5 50.520 49.605 0.915 1
1 43 . 18 1 1 A 10 10 ASN CB C 5 39.570 41.639 -2.069 1
1 44 . 18 1 1 A 10 10 ASN N N 5 122.600 116.473 6.127 1
1 46 . 18 1 1 A 11 11 PRO HA H 6 4.090 4.423 -0.333 1
1 53 . 18 1 1 A 11 11 PRO CA C 6 63.660 65.989 -2.329 1
1 54 . 18 1 1 A 11 11 PRO CB C 6 32.160 31.508 0.652 1
1 57 . 18 1 1 A 12 12 ASN H H 7 8.100 8.697 -0.597 1
1 58 . 18 1 1 A 12 12 ASN HA H 7 4.640 4.817 -0.177 1
1 63 . 18 1 1 A 12 12 ASN CA C 7 53.330 52.393 0.937 1
1 64 . 18 1 1 A 12 12 ASN CB C 7 38.910 37.834 1.076 1
1 65 . 18 1 1 A 12 12 ASN N N 7 116.820 114.670 2.150 1
1 67 . 18 1 1 A 13 13 ALA H H 8 7.760 7.637 0.123 1
1 68 . 18 1 1 A 13 13 ALA HA H 8 4.190 4.890 -0.700 1
1 72 . 18 1 1 A 13 13 ALA CA C 8 52.840 50.143 2.697 1
1 73 . 18 1 1 A 13 13 ALA CB C 8 19.240 22.307 -3.067 1
1 74 . 18 1 1 A 13 13 ALA N N 8 123.280 122.478 0.802 1
1 75 . 18 1 1 A 14 14 PHE H H 9 7.980 8.730 -0.750 1
1 76 . 18 1 1 A 14 14 PHE HA H 9 4.680 4.431 0.249 1
1 81 . 18 1 1 A 14 14 PHE CA C 9 57.310 60.194 -2.884 1
1 82 . 18 1 1 A 14 14 PHE CB C 9 39.790 39.593 0.197 1
1 83 . 18 1 1 A 14 14 PHE N N 9 118.120 120.213 -2.093 1
1 84 . 18 1 1 A 15 15 GLU H H 10 8.340 8.567 -0.227 1
1 85 . 18 1 1 A 15 15 GLU HA H 10 4.410 4.801 -0.391 1
1 90 . 18 1 1 A 15 15 GLU CA C 10 56.550 54.032 2.518 1
1 91 . 18 1 1 A 15 15 GLU CB C 10 30.750 33.792 -3.042 1
1 93 . 18 1 1 A 15 15 GLU N N 10 122.120 124.084 -1.964 1
1 94 . 18 1 1 A 16 16 THR H H 11 8.230 8.407 -0.177 1
1 95 . 18 1 1 A 16 16 THR HA H 11 4.380 4.411 -0.031 1
1 100 . 18 1 1 A 16 16 THR CA C 11 61.900 62.090 -0.190 1
1 101 . 18 1 1 A 16 16 THR CB C 11 69.890 69.277 0.613 1
1 103 . 18 1 1 A 16 16 THR N N 11 114.830 114.832 -0.002 1
1 104 . 18 1 1 A 17 17 ASP H H 12 8.480 8.411 0.069 1
1 105 . 18 1 1 A 17 17 ASP HA H 12 4.710 4.572 0.138 1
1 108 . 18 1 1 A 17 17 ASP CA C 12 54.650 54.979 -0.329 1
1 109 . 18 1 1 A 17 17 ASP CB C 12 41.480 41.057 0.423 1
1 110 . 18 1 1 A 17 17 ASP N N 12 122.650 122.896 -0.246 1
1 111 . 18 1 1 A 18 18 SER H H 13 8.330 8.531 -0.201 1
1 112 . 18 1 1 A 18 18 SER HA H 13 4.430 4.248 0.182 1
1 115 . 18 1 1 A 18 18 SER CA C 13 59.130 61.204 -2.074 1
1 116 . 18 1 1 A 18 18 SER CB C 13 63.900 63.263 0.637 1
1 117 . 18 1 1 A 18 18 SER N N 13 116.280 118.070 -1.790 1
1 118 . 18 1 1 A 19 19 ASP H H 14 8.560 8.415 0.145 1
1 119 . 18 1 1 A 19 19 ASP HA H 14 4.630 4.809 -0.179 1
1 122 . 18 1 1 A 19 19 ASP CA C 14 54.300 53.271 1.029 1
1 123 . 18 1 1 A 19 19 ASP CB C 14 40.820 41.453 -0.633 1
1 124 . 18 1 1 A 19 19 ASP N N 14 121.330 119.729 1.601 1
1 125 . 18 1 1 A 20 20 LEU H H 15 7.990 7.520 0.470 1
1 126 . 18 1 1 A 20 20 LEU HA H 15 4.630 4.533 0.097 1
1 136 . 18 1 1 A 20 20 LEU CA C 15 52.640 52.463 0.177 1
1 137 . 18 1 1 A 20 20 LEU CB C 15 42.530 41.700 0.830 1
1 141 . 18 1 1 A 20 20 LEU N N 15 121.650 121.565 0.085 1
1 142 . 18 1 1 A 21 21 PRO HA H 16 4.570 4.630 -0.060 1
1 149 . 18 1 1 A 21 21 PRO CA C 16 62.080 62.317 -0.237 1
1 150 . 18 1 1 A 21 21 PRO CB C 16 31.760 33.180 -1.420 1
1 153 . 18 1 1 A 22 22 ALA H H 17 8.410 8.349 0.061 1
1 154 . 18 1 1 A 22 22 ALA HA H 17 4.210 4.389 -0.179 1
1 158 . 18 1 1 A 22 22 ALA CA C 17 53.950 52.879 1.071 1
1 159 . 18 1 1 A 22 22 ALA CB C 17 18.650 19.580 -0.930 1
1 160 . 18 1 1 A 22 22 ALA N N 17 122.940 123.320 -0.380 1
1 161 . 18 1 1 A 23 23 GLY H H 18 8.710 8.666 0.044 1
1 162 . 18 1 1 A 23 23 GLY HA2 H 18 3.460 3.758 -0.298 1
1 163 . 18 1 1 A 23 23 GLY HA3 H 18 3.890 3.789 0.101 1
1 164 . 18 1 1 A 23 23 GLY CA C 18 45.110 45.443 -0.333 1
1 165 . 18 1 1 A 23 23 GLY N N 18 110.320 109.748 0.572 1
1 166 . 18 1 1 A 24 24 TRP H H 19 7.810 7.863 -0.053 1
1 167 . 18 1 1 A 24 24 TRP HA H 19 5.520 4.980 0.540 1
1 175 . 18 1 1 A 24 24 TRP CA C 19 57.020 56.442 0.578 1
1 176 . 18 1 1 A 24 24 TRP CB C 19 32.270 31.979 0.291 1
1 177 . 18 1 1 A 24 24 TRP N N 19 118.390 120.492 -2.102 1
1 178 . 18 1 1 A 25 25 MET H H 20 9.570 8.984 0.586 1
1 179 . 18 1 1 A 25 25 MET HA H 20 4.940 5.221 -0.281 1
1 184 . 18 1 1 A 25 25 MET CA C 20 54.390 54.171 0.219 1
1 185 . 18 1 1 A 25 25 MET CB C 20 37.220 35.730 1.490 1
1 187 . 18 1 1 A 25 25 MET N N 20 119.380 122.760 -3.380 1
1 188 . 18 1 1 A 26 26 ARG H H 21 8.880 8.763 0.117 1
1 189 . 18 1 1 A 26 26 ARG HA H 21 4.490 4.915 -0.425 1
1 196 . 18 1 1 A 26 26 ARG CA C 21 55.570 54.614 0.956 1
1 197 . 18 1 1 A 26 26 ARG CB C 21 31.880 32.543 -0.663 1
1 200 . 18 1 1 A 26 26 ARG N N 21 124.980 123.526 1.454 1
1 201 . 18 1 1 A 27 27 VAL H H 22 8.860 8.101 0.759 1
1 202 . 18 1 1 A 27 27 VAL HA H 22 3.960 4.654 -0.694 1
1 210 . 18 1 1 A 27 27 VAL CA C 22 61.320 60.058 1.262 1
1 211 . 18 1 1 A 27 27 VAL CB C 22 33.470 33.788 -0.318 1
1 214 . 18 1 1 A 27 27 VAL N N 22 128.370 126.458 1.912 1
1 215 . 18 1 1 A 28 28 GLN H H 23 8.230 8.688 -0.458 1
1 216 . 18 1 1 A 28 28 GLN HA H 23 4.980 4.764 0.216 1
1 223 . 18 1 1 A 28 28 GLN CA C 23 54.520 54.413 0.107 1
1 224 . 18 1 1 A 28 28 GLN CB C 23 30.560 29.751 0.809 1
1 226 . 18 1 1 A 28 28 GLN N N 23 123.980 123.989 -0.009 1
1 228 . 18 1 1 A 29 29 ASP H H 24 8.710 8.745 -0.035 1
1 229 . 18 1 1 A 29 29 ASP HA H 24 4.900 4.936 -0.036 1
1 232 . 18 1 1 A 29 29 ASP CA C 24 53.040 54.198 -1.158 1
1 233 . 18 1 1 A 29 29 ASP CB C 24 42.730 41.969 0.761 1
1 234 . 18 1 1 A 29 29 ASP N N 24 126.160 128.221 -2.061 1
1 235 . 18 1 1 A 30 30 THR H H 25 8.250 8.921 -0.671 1
1 236 . 18 1 1 A 30 30 THR HA H 25 4.120 3.961 0.159 1
1 241 . 18 1 1 A 30 30 THR CA C 25 65.160 65.464 -0.304 1
1 242 . 18 1 1 A 30 30 THR CB C 25 68.870 68.284 0.586 1
1 244 . 18 1 1 A 30 30 THR N N 25 112.460 117.150 -4.690 1
1 245 . 18 1 1 A 31 31 SER H H 26 8.940 8.273 0.667 1
1 246 . 18 1 1 A 31 31 SER HA H 26 4.560 4.370 0.190 1
1 249 . 18 1 1 A 31 31 SER CA C 26 59.690 60.147 -0.457 1
1 250 . 18 1 1 A 31 31 SER CB C 26 64.170 63.719 0.451 1
1 251 . 18 1 1 A 31 31 SER N N 26 117.280 115.544 1.736 1
1 252 . 18 1 1 A 32 32 GLY H H 27 7.890 7.434 0.456 1
1 253 . 18 1 1 A 32 32 GLY HA2 H 27 3.950 4.161 -0.211 1
1 254 . 18 1 1 A 32 32 GLY HA3 H 27 4.760 4.225 0.535 1
1 255 . 18 1 1 A 32 32 GLY CA C 27 44.820 45.221 -0.401 1
1 256 . 18 1 1 A 32 32 GLY N N 27 110.950 107.041 3.909 1
1 257 . 18 1 1 A 33 33 THR H H 28 8.460 8.599 -0.139 1
1 258 . 18 1 1 A 33 33 THR HA H 28 5.230 5.138 0.092 1
1 263 . 18 1 1 A 33 33 THR CA C 28 61.750 63.225 -1.475 1
1 264 . 18 1 1 A 33 33 THR CB C 28 70.530 68.997 1.533 1
1 266 . 18 1 1 A 33 33 THR N N 28 117.690 116.406 1.284 1
1 267 . 18 1 1 A 34 34 TYR H H 29 8.700 8.398 0.302 1
1 268 . 18 1 1 A 34 34 TYR HA H 29 4.670 5.070 -0.400 1
1 275 . 18 1 1 A 34 34 TYR CA C 29 55.500 55.268 0.232 1
1 276 . 18 1 1 A 34 34 TYR CB C 29 38.140 40.503 -2.363 1
1 277 . 18 1 1 A 34 34 TYR N N 29 123.420 125.124 -1.704 1
1 278 . 18 1 1 A 35 35 TYR H H 30 8.920 8.718 0.202 1
1 279 . 18 1 1 A 35 35 TYR HA H 30 5.330 5.687 -0.357 1
1 286 . 18 1 1 A 35 35 TYR CA C 30 57.550 56.728 0.822 1
1 287 . 18 1 1 A 35 35 TYR CB C 30 41.270 42.246 -0.976 1
1 288 . 18 1 1 A 35 35 TYR N N 30 116.920 116.269 0.651 1
1 289 . 18 1 1 A 36 36 TRP H H 31 9.580 8.932 0.648 1
1 290 . 18 1 1 A 36 36 TRP HA H 31 5.740 5.555 0.185 1
1 299 . 18 1 1 A 36 36 TRP CA C 31 54.290 55.273 -0.983 1
1 300 . 18 1 1 A 36 36 TRP CB C 31 33.420 31.707 1.713 1
1 301 . 18 1 1 A 36 36 TRP N N 31 126.100 124.756 1.344 1
1 303 . 18 1 1 A 37 37 HIS H H 32 8.950 8.964 -0.014 1
1 304 . 18 1 1 A 37 37 HIS HA H 32 3.940 3.942 -0.002 1
1 309 . 18 1 1 A 37 37 HIS CA C 32 55.050 54.541 0.509 1
1 310 . 18 1 1 A 37 37 HIS CB C 32 29.110 29.217 -0.107 1
1 311 . 18 1 1 A 37 37 HIS N N 32 130.940 127.011 3.929 1
1 312 . 18 1 1 A 38 38 ILE H H 33 8.130 7.964 0.166 1
1 313 . 18 1 1 A 38 38 ILE HA H 33 2.920 3.210 -0.290 1
1 323 . 18 1 1 A 38 38 ILE CA C 33 65.700 65.933 -0.233 1
1 324 . 18 1 1 A 38 38 ILE CB C 33 35.350 34.834 0.516 1
1 328 . 18 1 1 A 38 38 ILE N N 33 127.650 126.731 0.919 1
1 329 . 18 1 1 A 39 39 PRO HA H 34 4.120 4.112 0.008 1
1 336 . 18 1 1 A 39 39 PRO CA C 34 65.700 66.017 -0.317 1
1 337 . 18 1 1 A 39 39 PRO CB C 34 32.150 30.543 1.607 1
1 340 . 18 1 1 A 40 40 THR H H 35 6.470 7.042 -0.572 1
1 341 . 18 1 1 A 40 40 THR HA H 35 4.510 4.054 0.456 1
1 346 . 18 1 1 A 40 40 THR CA C 35 61.240 62.242 -1.002 1
1 347 . 18 1 1 A 40 40 THR CB C 35 72.280 69.858 2.422 1
1 349 . 18 1 1 A 40 40 THR N N 35 100.770 109.086 -8.316 1
1 350 . 18 1 1 A 41 41 GLY H H 36 8.530 7.706 0.824 1
1 351 . 18 1 1 A 41 41 GLY HA2 H 36 3.660 4.018 -0.358 1
1 352 . 18 1 1 A 41 41 GLY HA3 H 36 4.210 4.122 0.088 1
1 353 . 18 1 1 A 41 41 GLY CA C 36 46.220 46.008 0.212 1
1 354 . 18 1 1 A 41 41 GLY N N 36 113.280 111.980 1.300 1
1 355 . 18 1 1 A 42 42 THR H H 37 7.460 7.819 -0.359 1
1 356 . 18 1 1 A 42 42 THR HA H 37 4.260 4.531 -0.271 1
1 361 . 18 1 1 A 42 42 THR CA C 37 63.660 62.391 1.269 1
1 362 . 18 1 1 A 42 42 THR CB C 37 69.960 69.854 0.106 1
1 364 . 18 1 1 A 42 42 THR N N 37 115.720 117.346 -1.626 1
1 365 . 18 1 1 A 43 43 THR H H 38 8.420 9.011 -0.591 1
1 366 . 18 1 1 A 43 43 THR HA H 38 5.920 5.579 0.341 1
1 371 . 18 1 1 A 43 43 THR CA C 38 59.560 59.290 0.270 1
1 372 . 18 1 1 A 43 43 THR CB C 38 72.140 72.090 0.050 1
1 374 . 18 1 1 A 43 43 THR N N 38 116.010 113.700 2.310 1
1 375 . 18 1 1 A 44 44 GLN H H 39 9.180 8.270 0.910 1
1 376 . 18 1 1 A 44 44 GLN HA H 39 4.930 4.909 0.021 1
1 383 . 18 1 1 A 44 44 GLN CA C 39 54.890 54.309 0.581 1
1 384 . 18 1 1 A 44 44 GLN CB C 39 32.550 30.655 1.895 1
1 386 . 18 1 1 A 44 44 GLN N N 39 116.860 117.973 -1.113 1
1 388 . 18 1 1 A 45 45 TRP H H 40 8.890 8.421 0.469 1
1 389 . 18 1 1 A 45 45 TRP HA H 40 4.820 5.109 -0.289 1
1 397 . 18 1 1 A 45 45 TRP CA C 40 59.410 58.385 1.025 1
1 398 . 18 1 1 A 45 45 TRP CB C 40 30.270 31.897 -1.627 1
1 399 . 18 1 1 A 45 45 TRP N N 40 121.200 121.436 -0.236 1
1 400 . 18 1 1 A 46 46 GLU H H 41 7.970 8.098 -0.128 1
1 401 . 18 1 1 A 46 46 GLU HA H 41 4.720 4.807 -0.087 1
1 406 . 18 1 1 A 46 46 GLU CA C 41 54.070 54.800 -0.730 1
1 407 . 18 1 1 A 46 46 GLU CB C 41 29.640 28.711 0.929 1
1 409 . 18 1 1 A 46 46 GLU N N 41 119.500 118.569 0.931 1
1 410 . 18 1 1 A 47 47 PRO HA H 42 2.900 3.583 -0.683 1
1 417 . 18 1 1 A 47 47 PRO CA C 42 60.700 61.738 -1.038 1
1 418 . 18 1 1 A 47 47 PRO CB C 42 29.760 31.663 -1.903 1
1 421 . 18 1 1 A 48 48 PRO HA H 43 3.770 4.159 -0.389 1
1 428 . 18 1 1 A 48 48 PRO CA C 43 61.890 63.100 -1.210 1
1 429 . 18 1 1 A 48 48 PRO CB C 43 30.880 30.521 0.359 1
1 432 . 18 1 1 A 49 49 GLY H H 44 8.020 7.974 0.046 1
1 433 . 18 1 1 A 49 49 GLY HA2 H 44 3.770 4.069 -0.299 1
1 434 . 18 1 1 A 49 49 GLY HA3 H 44 3.770 4.089 -0.319 1
1 435 . 18 1 1 A 49 49 GLY CA C 44 44.770 45.799 -1.029 1
1 436 . 18 1 1 A 49 49 GLY N N 44 107.850 110.594 -2.744 1
1 437 . 18 1 1 A 50 50 ARG H H 45 7.980 8.326 -0.346 1
1 438 . 18 1 1 A 50 50 ARG HA H 45 4.280 4.836 -0.556 1
1 445 . 18 1 1 A 50 50 ARG CA C 45 55.730 54.737 0.993 1
1 446 . 18 1 1 A 50 50 ARG CB C 45 31.150 32.315 -1.165 1
1 449 . 18 1 1 A 50 50 ARG N N 45 119.870 125.013 -5.143 1
1 450 . 18 1 1 A 51 51 ALA H H 46 8.340 8.591 -0.251 1
1 451 . 18 1 1 A 51 51 ALA HA H 46 4.330 4.660 -0.330 1
1 455 . 18 1 1 A 51 51 ALA CA C 46 52.290 50.564 1.726 1
1 456 . 18 1 1 A 51 51 ALA CB C 46 19.450 19.038 0.412 1
1 457 . 18 1 1 A 51 51 ALA N N 46 125.360 128.857 -3.497 1
1 458 . 18 1 1 A 52 52 SER H H 47 8.360 8.484 -0.124 1
1 459 . 18 1 1 A 52 52 SER HA H 47 4.730 4.329 0.401 1
1 462 . 18 1 1 A 52 52 SER CA C 47 56.520 62.952 -6.432 1
1 463 . 18 1 1 A 52 52 SER CB C 47 63.460 61.171 2.289 1
1 464 . 18 1 1 A 52 52 SER N N 47 117.200 118.757 -1.557 1
1 465 . 18 1 1 A 53 53 PRO HA H 48 4.490 4.665 -0.175 1
1 472 . 18 1 1 A 53 53 PRO CA C 48 63.450 62.378 1.072 1
1 473 . 18 1 1 A 53 53 PRO CB C 48 32.280 29.509 2.771 1
1 476 . 18 1 1 A 54 54 SER H H 49 8.420 8.628 -0.208 1
1 477 . 18 1 1 A 54 54 SER HA H 49 4.440 4.683 -0.243 1
1 480 . 18 1 1 A 54 54 SER CA C 49 58.490 59.378 -0.888 1
1 481 . 18 1 1 A 54 54 SER CB C 49 63.990 64.146 -0.156 1
1 482 . 18 1 1 A 54 54 SER N N 49 116.680 119.603 -2.923 1
1 8 . 19 1 1 A 7 7 SER H H 2 8.110 7.849 0.261 1
1 9 . 19 1 1 A 7 7 SER HA H 2 4.360 4.440 -0.080 1
1 12 . 19 1 1 A 7 7 SER CA C 2 58.690 58.100 0.590 1
1 13 . 19 1 1 A 7 7 SER CB C 2 63.740 64.728 -0.988 1
1 14 . 19 1 1 A 7 7 SER N N 2 115.530 113.481 2.049 1
1 15 . 19 1 1 A 8 8 PHE H H 3 8.100 8.780 -0.680 1
1 16 . 19 1 1 A 8 8 PHE HA H 3 4.580 4.722 -0.142 1
1 21 . 19 1 1 A 8 8 PHE CA C 3 57.940 59.336 -1.396 1
1 22 . 19 1 1 A 8 8 PHE CB C 3 39.440 40.102 -0.662 1
1 23 . 19 1 1 A 8 8 PHE N N 3 121.690 117.351 4.339 1
1 24 . 19 1 1 A 9 9 TRP H H 4 7.960 8.127 -0.167 1
1 25 . 19 1 1 A 9 9 TRP HA H 4 4.580 4.763 -0.183 1
1 33 . 19 1 1 A 9 9 TRP CA C 4 57.320 57.986 -0.666 1
1 34 . 19 1 1 A 9 9 TRP CB C 4 29.740 30.125 -0.385 1
1 35 . 19 1 1 A 9 9 TRP N N 4 122.750 119.908 2.842 1
1 36 . 19 1 1 A 10 10 ASN H H 5 7.960 8.772 -0.812 1
1 37 . 19 1 1 A 10 10 ASN HA H 5 4.770 5.112 -0.342 1
1 42 . 19 1 1 A 10 10 ASN CA C 5 50.520 51.617 -1.097 1
1 43 . 19 1 1 A 10 10 ASN CB C 5 39.570 38.497 1.073 1
1 44 . 19 1 1 A 10 10 ASN N N 5 122.600 120.213 2.387 1
1 46 . 19 1 1 A 11 11 PRO HA H 6 4.090 4.576 -0.486 1
1 53 . 19 1 1 A 11 11 PRO CA C 6 63.660 64.494 -0.834 1
1 54 . 19 1 1 A 11 11 PRO CB C 6 32.160 32.178 -0.018 1
1 57 . 19 1 1 A 12 12 ASN H H 7 8.100 8.457 -0.357 1
1 58 . 19 1 1 A 12 12 ASN HA H 7 4.640 5.035 -0.395 1
1 63 . 19 1 1 A 12 12 ASN CA C 7 53.330 52.638 0.692 1
1 64 . 19 1 1 A 12 12 ASN CB C 7 38.910 38.941 -0.031 1
1 65 . 19 1 1 A 12 12 ASN N N 7 116.820 116.551 0.269 1
1 67 . 19 1 1 A 13 13 ALA H H 8 7.760 7.816 -0.056 1
1 68 . 19 1 1 A 13 13 ALA HA H 8 4.190 4.426 -0.236 1
1 72 . 19 1 1 A 13 13 ALA CA C 8 52.840 53.552 -0.712 1
1 73 . 19 1 1 A 13 13 ALA CB C 8 19.240 19.029 0.211 1
1 74 . 19 1 1 A 13 13 ALA N N 8 123.280 121.994 1.286 1
1 75 . 19 1 1 A 14 14 PHE H H 9 7.980 7.747 0.233 1
1 76 . 19 1 1 A 14 14 PHE HA H 9 4.680 4.858 -0.178 1
1 81 . 19 1 1 A 14 14 PHE CA C 9 57.310 58.125 -0.815 1
1 82 . 19 1 1 A 14 14 PHE CB C 9 39.790 40.827 -1.037 1
1 83 . 19 1 1 A 14 14 PHE N N 9 118.120 114.822 3.298 1
1 84 . 19 1 1 A 15 15 GLU H H 10 8.340 8.778 -0.438 1
1 85 . 19 1 1 A 15 15 GLU HA H 10 4.410 4.818 -0.408 1
1 90 . 19 1 1 A 15 15 GLU CA C 10 56.550 54.944 1.606 1
1 91 . 19 1 1 A 15 15 GLU CB C 10 30.750 33.275 -2.525 1
1 93 . 19 1 1 A 15 15 GLU N N 10 122.120 125.458 -3.338 1
1 94 . 19 1 1 A 16 16 THR H H 11 8.230 8.594 -0.364 1
1 95 . 19 1 1 A 16 16 THR HA H 11 4.380 4.426 -0.046 1
1 100 . 19 1 1 A 16 16 THR CA C 11 61.900 62.061 -0.161 1
1 101 . 19 1 1 A 16 16 THR CB C 11 69.890 69.188 0.702 1
1 103 . 19 1 1 A 16 16 THR N N 11 114.830 115.786 -0.956 1
1 104 . 19 1 1 A 17 17 ASP H H 12 8.480 8.613 -0.133 1
1 105 . 19 1 1 A 17 17 ASP HA H 12 4.710 4.644 0.066 1
1 108 . 19 1 1 A 17 17 ASP CA C 12 54.650 53.012 1.638 1
1 109 . 19 1 1 A 17 17 ASP CB C 12 41.480 41.411 0.069 1
1 110 . 19 1 1 A 17 17 ASP N N 12 122.650 123.021 -0.371 1
1 111 . 19 1 1 A 18 18 SER H H 13 8.330 8.441 -0.111 1
1 112 . 19 1 1 A 18 18 SER HA H 13 4.430 4.580 -0.150 1
1 115 . 19 1 1 A 18 18 SER CA C 13 59.130 57.726 1.404 1
1 116 . 19 1 1 A 18 18 SER CB C 13 63.900 62.857 1.043 1
1 117 . 19 1 1 A 18 18 SER N N 13 116.280 113.682 2.598 1
1 118 . 19 1 1 A 19 19 ASP H H 14 8.560 7.995 0.565 1
1 119 . 19 1 1 A 19 19 ASP HA H 14 4.630 4.156 0.474 1
1 122 . 19 1 1 A 19 19 ASP CA C 14 54.300 55.190 -0.890 1
1 123 . 19 1 1 A 19 19 ASP CB C 14 40.820 39.205 1.615 1
1 124 . 19 1 1 A 19 19 ASP N N 14 121.330 114.939 6.391 1
1 125 . 19 1 1 A 20 20 LEU H H 15 7.990 7.632 0.358 1
1 126 . 19 1 1 A 20 20 LEU HA H 15 4.630 4.367 0.263 1
1 136 . 19 1 1 A 20 20 LEU CA C 15 52.640 53.410 -0.770 1
1 137 . 19 1 1 A 20 20 LEU CB C 15 42.530 40.945 1.585 1
1 141 . 19 1 1 A 20 20 LEU N N 15 121.650 119.675 1.975 1
1 142 . 19 1 1 A 21 21 PRO HA H 16 4.570 4.570 0.000 1
1 149 . 19 1 1 A 21 21 PRO CA C 16 62.080 62.248 -0.168 1
1 150 . 19 1 1 A 21 21 PRO CB C 16 31.760 33.200 -1.440 1
1 153 . 19 1 1 A 22 22 ALA H H 17 8.410 8.342 0.068 1
1 154 . 19 1 1 A 22 22 ALA HA H 17 4.210 4.297 -0.087 1
1 158 . 19 1 1 A 22 22 ALA CA C 17 53.950 53.231 0.719 1
1 159 . 19 1 1 A 22 22 ALA CB C 17 18.650 19.239 -0.589 1
1 160 . 19 1 1 A 22 22 ALA N N 17 122.940 123.527 -0.587 1
1 161 . 19 1 1 A 23 23 GLY H H 18 8.710 8.786 -0.076 1
1 162 . 19 1 1 A 23 23 GLY HA2 H 18 3.460 3.842 -0.382 1
1 163 . 19 1 1 A 23 23 GLY HA3 H 18 3.890 3.858 0.032 1
1 164 . 19 1 1 A 23 23 GLY CA C 18 45.110 45.348 -0.238 1
1 165 . 19 1 1 A 23 23 GLY N N 18 110.320 109.955 0.365 1
1 166 . 19 1 1 A 24 24 TRP H H 19 7.810 7.957 -0.147 1
1 167 . 19 1 1 A 24 24 TRP HA H 19 5.520 4.632 0.888 1
1 175 . 19 1 1 A 24 24 TRP CA C 19 57.020 57.632 -0.612 1
1 176 . 19 1 1 A 24 24 TRP CB C 19 32.270 30.541 1.729 1
1 177 . 19 1 1 A 24 24 TRP N N 19 118.390 121.317 -2.927 1
1 178 . 19 1 1 A 25 25 MET H H 20 9.570 9.028 0.542 1
1 179 . 19 1 1 A 25 25 MET HA H 20 4.940 5.352 -0.412 1
1 184 . 19 1 1 A 25 25 MET CA C 20 54.390 54.221 0.169 1
1 185 . 19 1 1 A 25 25 MET CB C 20 37.220 36.577 0.643 1
1 187 . 19 1 1 A 25 25 MET N N 20 119.380 122.068 -2.688 1
1 188 . 19 1 1 A 26 26 ARG H H 21 8.880 8.828 0.052 1
1 189 . 19 1 1 A 26 26 ARG HA H 21 4.490 4.990 -0.500 1
1 196 . 19 1 1 A 26 26 ARG CA C 21 55.570 54.648 0.922 1
1 197 . 19 1 1 A 26 26 ARG CB C 21 31.880 32.572 -0.692 1
1 200 . 19 1 1 A 26 26 ARG N N 21 124.980 123.247 1.733 1
1 201 . 19 1 1 A 27 27 VAL H H 22 8.860 8.157 0.703 1
1 202 . 19 1 1 A 27 27 VAL HA H 22 3.960 4.616 -0.656 1
1 210 . 19 1 1 A 27 27 VAL CA C 22 61.320 60.101 1.219 1
1 211 . 19 1 1 A 27 27 VAL CB C 22 33.470 33.730 -0.260 1
1 214 . 19 1 1 A 27 27 VAL N N 22 128.370 126.447 1.923 1
1 215 . 19 1 1 A 28 28 GLN H H 23 8.230 8.664 -0.434 1
1 216 . 19 1 1 A 28 28 GLN HA H 23 4.980 4.787 0.193 1
1 223 . 19 1 1 A 28 28 GLN CA C 23 54.520 54.406 0.114 1
1 224 . 19 1 1 A 28 28 GLN CB C 23 30.560 29.376 1.184 1
1 226 . 19 1 1 A 28 28 GLN N N 23 123.980 122.787 1.193 1
1 228 . 19 1 1 A 29 29 ASP H H 24 8.710 8.281 0.429 1
1 229 . 19 1 1 A 29 29 ASP HA H 24 4.900 5.021 -0.121 1
1 232 . 19 1 1 A 29 29 ASP CA C 24 53.040 53.541 -0.501 1
1 233 . 19 1 1 A 29 29 ASP CB C 24 42.730 42.457 0.273 1
1 234 . 19 1 1 A 29 29 ASP N N 24 126.160 125.591 0.569 1
1 235 . 19 1 1 A 30 30 THR H H 25 8.250 8.924 -0.674 1
1 236 . 19 1 1 A 30 30 THR HA H 25 4.120 3.976 0.144 1
1 241 . 19 1 1 A 30 30 THR CA C 25 65.160 66.018 -0.858 1
1 242 . 19 1 1 A 30 30 THR CB C 25 68.870 68.323 0.547 1
1 244 . 19 1 1 A 30 30 THR N N 25 112.460 116.975 -4.515 1
1 245 . 19 1 1 A 31 31 SER H H 26 8.940 8.040 0.900 1
1 246 . 19 1 1 A 31 31 SER HA H 26 4.560 4.276 0.284 1
1 249 . 19 1 1 A 31 31 SER CA C 26 59.690 60.980 -1.290 1
1 250 . 19 1 1 A 31 31 SER CB C 26 64.170 63.819 0.351 1
1 251 . 19 1 1 A 31 31 SER N N 26 117.280 116.741 0.539 1
1 252 . 19 1 1 A 32 32 GLY H H 27 7.890 7.525 0.365 1
1 253 . 19 1 1 A 32 32 GLY HA2 H 27 3.950 4.149 -0.199 1
1 254 . 19 1 1 A 32 32 GLY HA3 H 27 4.760 4.186 0.574 1
1 255 . 19 1 1 A 32 32 GLY CA C 27 44.820 44.907 -0.087 1
1 256 . 19 1 1 A 32 32 GLY N N 27 110.950 106.672 4.278 1
1 257 . 19 1 1 A 33 33 THR H H 28 8.460 8.701 -0.241 1
1 258 . 19 1 1 A 33 33 THR HA H 28 5.230 5.140 0.090 1
1 263 . 19 1 1 A 33 33 THR CA C 28 61.750 63.424 -1.674 1
1 264 . 19 1 1 A 33 33 THR CB C 28 70.530 68.915 1.615 1
1 266 . 19 1 1 A 33 33 THR N N 28 117.690 116.428 1.262 1
1 267 . 19 1 1 A 34 34 TYR H H 29 8.700 8.477 0.223 1
1 268 . 19 1 1 A 34 34 TYR HA H 29 4.670 5.120 -0.450 1
1 275 . 19 1 1 A 34 34 TYR CA C 29 55.500 55.014 0.486 1
1 276 . 19 1 1 A 34 34 TYR CB C 29 38.140 40.433 -2.293 1
1 277 . 19 1 1 A 34 34 TYR N N 29 123.420 125.050 -1.630 1
1 278 . 19 1 1 A 35 35 TYR H H 30 8.920 8.717 0.203 1
1 279 . 19 1 1 A 35 35 TYR HA H 30 5.330 5.725 -0.395 1
1 286 . 19 1 1 A 35 35 TYR CA C 30 57.550 56.591 0.959 1
1 287 . 19 1 1 A 35 35 TYR CB C 30 41.270 41.383 -0.113 1
1 288 . 19 1 1 A 35 35 TYR N N 30 116.920 116.746 0.174 1
1 289 . 19 1 1 A 36 36 TRP H H 31 9.580 9.029 0.551 1
1 290 . 19 1 1 A 36 36 TRP HA H 31 5.740 5.457 0.283 1
1 299 . 19 1 1 A 36 36 TRP CA C 31 54.290 56.306 -2.016 1
1 300 . 19 1 1 A 36 36 TRP CB C 31 33.420 31.171 2.249 1
1 301 . 19 1 1 A 36 36 TRP N N 31 126.100 126.164 -0.064 1
1 303 . 19 1 1 A 37 37 HIS H H 32 8.950 9.112 -0.162 1
1 304 . 19 1 1 A 37 37 HIS HA H 32 3.940 4.048 -0.108 1
1 309 . 19 1 1 A 37 37 HIS CA C 32 55.050 54.556 0.494 1
1 310 . 19 1 1 A 37 37 HIS CB C 32 29.110 29.386 -0.276 1
1 311 . 19 1 1 A 37 37 HIS N N 32 130.940 127.430 3.510 1
1 312 . 19 1 1 A 38 38 ILE H H 33 8.130 8.014 0.116 1
1 313 . 19 1 1 A 38 38 ILE HA H 33 2.920 3.183 -0.263 1
1 323 . 19 1 1 A 38 38 ILE CA C 33 65.700 65.927 -0.227 1
1 324 . 19 1 1 A 38 38 ILE CB C 33 35.350 34.996 0.354 1
1 328 . 19 1 1 A 38 38 ILE N N 33 127.650 126.776 0.874 1
1 329 . 19 1 1 A 39 39 PRO HA H 34 4.120 4.097 0.023 1
1 336 . 19 1 1 A 39 39 PRO CA C 34 65.700 66.058 -0.358 1
1 337 . 19 1 1 A 39 39 PRO CB C 34 32.150 30.518 1.632 1
1 340 . 19 1 1 A 40 40 THR H H 35 6.470 7.033 -0.563 1
1 341 . 19 1 1 A 40 40 THR HA H 35 4.510 4.035 0.475 1
1 346 . 19 1 1 A 40 40 THR CA C 35 61.240 62.210 -0.970 1
1 347 . 19 1 1 A 40 40 THR CB C 35 72.280 69.902 2.378 1
1 349 . 19 1 1 A 40 40 THR N N 35 100.770 109.076 -8.306 1
1 350 . 19 1 1 A 41 41 GLY H H 36 8.530 7.678 0.852 1
1 351 . 19 1 1 A 41 41 GLY HA2 H 36 3.660 3.998 -0.338 1
1 352 . 19 1 1 A 41 41 GLY HA3 H 36 4.210 4.084 0.126 1
1 353 . 19 1 1 A 41 41 GLY CA C 36 46.220 45.916 0.304 1
1 354 . 19 1 1 A 41 41 GLY N N 36 113.280 112.072 1.208 1
1 355 . 19 1 1 A 42 42 THR H H 37 7.460 7.773 -0.313 1
1 356 . 19 1 1 A 42 42 THR HA H 37 4.260 4.460 -0.200 1
1 361 . 19 1 1 A 42 42 THR CA C 37 63.660 62.735 0.925 1
1 362 . 19 1 1 A 42 42 THR CB C 37 69.960 69.696 0.264 1
1 364 . 19 1 1 A 42 42 THR N N 37 115.720 117.365 -1.645 1
1 365 . 19 1 1 A 43 43 THR H H 38 8.420 8.984 -0.564 1
1 366 . 19 1 1 A 43 43 THR HA H 38 5.920 5.630 0.290 1
1 371 . 19 1 1 A 43 43 THR CA C 38 59.560 59.295 0.265 1
1 372 . 19 1 1 A 43 43 THR CB C 38 72.140 71.935 0.205 1
1 374 . 19 1 1 A 43 43 THR N N 38 116.010 113.948 2.062 1
1 375 . 19 1 1 A 44 44 GLN H H 39 9.180 8.373 0.807 1
1 376 . 19 1 1 A 44 44 GLN HA H 39 4.930 4.840 0.090 1
1 383 . 19 1 1 A 44 44 GLN CA C 39 54.890 54.408 0.482 1
1 384 . 19 1 1 A 44 44 GLN CB C 39 32.550 30.694 1.856 1
1 386 . 19 1 1 A 44 44 GLN N N 39 116.860 118.180 -1.320 1
1 388 . 19 1 1 A 45 45 TRP H H 40 8.890 8.392 0.498 1
1 389 . 19 1 1 A 45 45 TRP HA H 40 4.820 5.060 -0.240 1
1 397 . 19 1 1 A 45 45 TRP CA C 40 59.410 58.388 1.022 1
1 398 . 19 1 1 A 45 45 TRP CB C 40 30.270 31.863 -1.593 1
1 399 . 19 1 1 A 45 45 TRP N N 40 121.200 121.435 -0.235 1
1 400 . 19 1 1 A 46 46 GLU H H 41 7.970 8.209 -0.239 1
1 401 . 19 1 1 A 46 46 GLU HA H 41 4.720 4.856 -0.136 1
1 406 . 19 1 1 A 46 46 GLU CA C 41 54.070 54.815 -0.745 1
1 407 . 19 1 1 A 46 46 GLU CB C 41 29.640 28.942 0.698 1
1 409 . 19 1 1 A 46 46 GLU N N 41 119.500 118.109 1.391 1
1 410 . 19 1 1 A 47 47 PRO HA H 42 2.900 3.743 -0.843 1
1 417 . 19 1 1 A 47 47 PRO CA C 42 60.700 61.741 -1.041 1
1 418 . 19 1 1 A 47 47 PRO CB C 42 29.760 31.770 -2.010 1
1 421 . 19 1 1 A 48 48 PRO HA H 43 3.770 3.956 -0.186 1
1 428 . 19 1 1 A 48 48 PRO CA C 43 61.890 63.216 -1.326 1
1 429 . 19 1 1 A 48 48 PRO CB C 43 30.880 30.298 0.582 1
1 432 . 19 1 1 A 49 49 GLY H H 44 8.020 8.447 -0.427 1
1 433 . 19 1 1 A 49 49 GLY HA2 H 44 3.770 3.951 -0.181 1
1 434 . 19 1 1 A 49 49 GLY HA3 H 44 3.770 3.975 -0.205 1
1 435 . 19 1 1 A 49 49 GLY CA C 44 44.770 44.675 0.095 1
1 436 . 19 1 1 A 49 49 GLY N N 44 107.850 111.899 -4.049 1
1 437 . 19 1 1 A 50 50 ARG H H 45 7.980 8.295 -0.315 1
1 438 . 19 1 1 A 50 50 ARG HA H 45 4.280 4.946 -0.666 1
1 445 . 19 1 1 A 50 50 ARG CA C 45 55.730 54.276 1.454 1
1 446 . 19 1 1 A 50 50 ARG CB C 45 31.150 33.225 -2.075 1
1 449 . 19 1 1 A 50 50 ARG N N 45 119.870 121.044 -1.174 1
1 450 . 19 1 1 A 51 51 ALA H H 46 8.340 8.507 -0.167 1
1 451 . 19 1 1 A 51 51 ALA HA H 46 4.330 3.925 0.405 1
1 455 . 19 1 1 A 51 51 ALA CA C 46 52.290 54.286 -1.996 1
1 456 . 19 1 1 A 51 51 ALA CB C 46 19.450 17.805 1.645 1
1 457 . 19 1 1 A 51 51 ALA N N 46 125.360 127.980 -2.620 1
1 458 . 19 1 1 A 52 52 SER H H 47 8.360 8.593 -0.233 1
1 459 . 19 1 1 A 52 52 SER HA H 47 4.730 4.946 -0.216 1
1 462 . 19 1 1 A 52 52 SER CA C 47 56.520 54.786 1.734 1
1 463 . 19 1 1 A 52 52 SER CB C 47 63.460 64.289 -0.829 1
1 464 . 19 1 1 A 52 52 SER N N 47 117.200 115.364 1.836 1
1 465 . 19 1 1 A 53 53 PRO HA H 48 4.490 4.643 -0.153 1
1 472 . 19 1 1 A 53 53 PRO CA C 48 63.450 62.240 1.210 1
1 473 . 19 1 1 A 53 53 PRO CB C 48 32.280 33.424 -1.144 1
1 476 . 19 1 1 A 54 54 SER H H 49 8.420 8.426 -0.006 1
1 477 . 19 1 1 A 54 54 SER HA H 49 4.440 4.945 -0.505 1
1 480 . 19 1 1 A 54 54 SER CA C 49 58.490 57.292 1.198 1
1 481 . 19 1 1 A 54 54 SER CB C 49 63.990 66.454 -2.464 1
1 482 . 19 1 1 A 54 54 SER N N 49 116.680 114.358 2.322 1
1 8 . 20 1 1 A 7 7 SER H H 2 8.110 8.779 -0.669 1
1 9 . 20 1 1 A 7 7 SER HA H 2 4.360 4.274 0.086 1
1 12 . 20 1 1 A 7 7 SER CA C 2 58.690 59.880 -1.190 1
1 13 . 20 1 1 A 7 7 SER CB C 2 63.740 64.297 -0.557 1
1 14 . 20 1 1 A 7 7 SER N N 2 115.530 115.750 -0.220 1
1 15 . 20 1 1 A 8 8 PHE H H 3 8.100 8.081 0.019 1
1 16 . 20 1 1 A 8 8 PHE HA H 3 4.580 4.080 0.500 1
1 21 . 20 1 1 A 8 8 PHE CA C 3 57.940 58.832 -0.892 1
1 22 . 20 1 1 A 8 8 PHE CB C 3 39.440 37.735 1.705 1
1 23 . 20 1 1 A 8 8 PHE N N 3 121.690 117.025 4.665 1
1 24 . 20 1 1 A 9 9 TRP H H 4 7.960 8.098 -0.138 1
1 25 . 20 1 1 A 9 9 TRP HA H 4 4.580 4.388 0.192 1
1 33 . 20 1 1 A 9 9 TRP CA C 4 57.320 59.689 -2.369 1
1 34 . 20 1 1 A 9 9 TRP CB C 4 29.740 28.281 1.459 1
1 35 . 20 1 1 A 9 9 TRP N N 4 122.750 122.753 -0.003 1
1 36 . 20 1 1 A 10 10 ASN H H 5 7.960 8.871 -0.911 1
1 37 . 20 1 1 A 10 10 ASN HA H 5 4.770 5.111 -0.341 1
1 42 . 20 1 1 A 10 10 ASN CA C 5 50.520 49.718 0.802 1
1 43 . 20 1 1 A 10 10 ASN CB C 5 39.570 39.919 -0.349 1
1 44 . 20 1 1 A 10 10 ASN N N 5 122.600 121.915 0.685 1
1 46 . 20 1 1 A 11 11 PRO HA H 6 4.090 4.452 -0.362 1
1 53 . 20 1 1 A 11 11 PRO CA C 6 63.660 64.769 -1.109 1
1 54 . 20 1 1 A 11 11 PRO CB C 6 32.160 32.168 -0.008 1
1 57 . 20 1 1 A 12 12 ASN H H 7 8.100 8.011 0.089 1
1 58 . 20 1 1 A 12 12 ASN HA H 7 4.640 4.569 0.071 1
1 63 . 20 1 1 A 12 12 ASN CA C 7 53.330 55.929 -2.599 1
1 64 . 20 1 1 A 12 12 ASN CB C 7 38.910 39.023 -0.113 1
1 65 . 20 1 1 A 12 12 ASN N N 7 116.820 115.215 1.605 1
1 67 . 20 1 1 A 13 13 ALA H H 8 7.760 7.752 0.008 1
1 68 . 20 1 1 A 13 13 ALA HA H 8 4.190 4.033 0.157 1
1 72 . 20 1 1 A 13 13 ALA CA C 8 52.840 54.256 -1.416 1
1 73 . 20 1 1 A 13 13 ALA CB C 8 19.240 17.860 1.380 1
1 74 . 20 1 1 A 13 13 ALA N N 8 123.280 120.445 2.835 1
1 75 . 20 1 1 A 14 14 PHE H H 9 7.980 8.613 -0.633 1
1 76 . 20 1 1 A 14 14 PHE HA H 9 4.680 4.737 -0.057 1
1 81 . 20 1 1 A 14 14 PHE CA C 9 57.310 58.304 -0.994 1
1 82 . 20 1 1 A 14 14 PHE CB C 9 39.790 39.610 0.180 1
1 83 . 20 1 1 A 14 14 PHE N N 9 118.120 117.821 0.299 1
1 84 . 20 1 1 A 15 15 GLU H H 10 8.340 8.317 0.023 1
1 85 . 20 1 1 A 15 15 GLU HA H 10 4.410 4.337 0.073 1
1 90 . 20 1 1 A 15 15 GLU CA C 10 56.550 56.899 -0.349 1
1 91 . 20 1 1 A 15 15 GLU CB C 10 30.750 30.700 0.050 1
1 93 . 20 1 1 A 15 15 GLU N N 10 122.120 123.067 -0.947 1
1 94 . 20 1 1 A 16 16 THR H H 11 8.230 8.383 -0.153 1
1 95 . 20 1 1 A 16 16 THR HA H 11 4.380 4.607 -0.227 1
1 100 . 20 1 1 A 16 16 THR CA C 11 61.900 61.357 0.543 1
1 101 . 20 1 1 A 16 16 THR CB C 11 69.890 69.453 0.437 1
1 103 . 20 1 1 A 16 16 THR N N 11 114.830 117.827 -2.997 1
1 104 . 20 1 1 A 17 17 ASP H H 12 8.480 8.534 -0.054 1
1 105 . 20 1 1 A 17 17 ASP HA H 12 4.710 4.567 0.143 1
1 108 . 20 1 1 A 17 17 ASP CA C 12 54.650 53.091 1.559 1
1 109 . 20 1 1 A 17 17 ASP CB C 12 41.480 41.569 -0.089 1
1 110 . 20 1 1 A 17 17 ASP N N 12 122.650 122.864 -0.214 1
1 111 . 20 1 1 A 18 18 SER H H 13 8.330 8.504 -0.174 1
1 112 . 20 1 1 A 18 18 SER HA H 13 4.430 4.547 -0.117 1
1 115 . 20 1 1 A 18 18 SER CA C 13 59.130 58.315 0.815 1
1 116 . 20 1 1 A 18 18 SER CB C 13 63.900 63.626 0.274 1
1 117 . 20 1 1 A 18 18 SER N N 13 116.280 113.533 2.747 1
1 118 . 20 1 1 A 19 19 ASP H H 14 8.560 8.277 0.283 1
1 119 . 20 1 1 A 19 19 ASP HA H 14 4.630 4.862 -0.232 1
1 122 . 20 1 1 A 19 19 ASP CA C 14 54.300 52.991 1.309 1
1 123 . 20 1 1 A 19 19 ASP CB C 14 40.820 41.564 -0.744 1
1 124 . 20 1 1 A 19 19 ASP N N 14 121.330 118.816 2.514 1
1 125 . 20 1 1 A 20 20 LEU H H 15 7.990 7.690 0.300 1
1 126 . 20 1 1 A 20 20 LEU HA H 15 4.630 4.534 0.096 1
1 136 . 20 1 1 A 20 20 LEU CA C 15 52.640 52.899 -0.259 1
1 137 . 20 1 1 A 20 20 LEU CB C 15 42.530 41.057 1.473 1
1 141 . 20 1 1 A 20 20 LEU N N 15 121.650 124.235 -2.585 1
1 142 . 20 1 1 A 21 21 PRO HA H 16 4.570 4.641 -0.071 1
1 149 . 20 1 1 A 21 21 PRO CA C 16 62.080 62.338 -0.258 1
1 150 . 20 1 1 A 21 21 PRO CB C 16 31.760 33.267 -1.507 1
1 153 . 20 1 1 A 22 22 ALA H H 17 8.410 8.327 0.083 1
1 154 . 20 1 1 A 22 22 ALA HA H 17 4.210 4.657 -0.447 1
1 158 . 20 1 1 A 22 22 ALA CA C 17 53.950 52.454 1.496 1
1 159 . 20 1 1 A 22 22 ALA CB C 17 18.650 19.825 -1.175 1
1 160 . 20 1 1 A 22 22 ALA N N 17 122.940 122.722 0.218 1
1 161 . 20 1 1 A 23 23 GLY H H 18 8.710 8.718 -0.008 1
1 162 . 20 1 1 A 23 23 GLY HA2 H 18 3.460 3.854 -0.394 1
1 163 . 20 1 1 A 23 23 GLY HA3 H 18 3.890 3.903 -0.013 1
1 164 . 20 1 1 A 23 23 GLY CA C 18 45.110 45.101 0.009 1
1 165 . 20 1 1 A 23 23 GLY N N 18 110.320 110.522 -0.202 1
1 166 . 20 1 1 A 24 24 TRP H H 19 7.810 7.948 -0.138 1
1 167 . 20 1 1 A 24 24 TRP HA H 19 5.520 5.193 0.327 1
1 175 . 20 1 1 A 24 24 TRP CA C 19 57.020 55.943 1.077 1
1 176 . 20 1 1 A 24 24 TRP CB C 19 32.270 32.912 -0.642 1
1 177 . 20 1 1 A 24 24 TRP N N 19 118.390 120.483 -2.093 1
1 178 . 20 1 1 A 25 25 MET H H 20 9.570 9.127 0.443 1
1 179 . 20 1 1 A 25 25 MET HA H 20 4.940 5.328 -0.388 1
1 184 . 20 1 1 A 25 25 MET CA C 20 54.390 54.192 0.198 1
1 185 . 20 1 1 A 25 25 MET CB C 20 37.220 36.916 0.304 1
1 187 . 20 1 1 A 25 25 MET N N 20 119.380 121.011 -1.631 1
1 188 . 20 1 1 A 26 26 ARG H H 21 8.880 8.762 0.118 1
1 189 . 20 1 1 A 26 26 ARG HA H 21 4.490 4.547 -0.057 1
1 196 . 20 1 1 A 26 26 ARG CA C 21 55.570 54.456 1.114 1
1 197 . 20 1 1 A 26 26 ARG CB C 21 31.880 32.150 -0.270 1
1 200 . 20 1 1 A 26 26 ARG N N 21 124.980 123.200 1.780 1
1 201 . 20 1 1 A 27 27 VAL H H 22 8.860 8.115 0.745 1
1 202 . 20 1 1 A 27 27 VAL HA H 22 3.960 4.729 -0.769 1
1 210 . 20 1 1 A 27 27 VAL CA C 22 61.320 59.960 1.360 1
1 211 . 20 1 1 A 27 27 VAL CB C 22 33.470 33.965 -0.495 1
1 214 . 20 1 1 A 27 27 VAL N N 22 128.370 126.277 2.093 1
1 215 . 20 1 1 A 28 28 GLN H H 23 8.230 8.554 -0.324 1
1 216 . 20 1 1 A 28 28 GLN HA H 23 4.980 4.625 0.355 1
1 223 . 20 1 1 A 28 28 GLN CA C 23 54.520 54.252 0.268 1
1 224 . 20 1 1 A 28 28 GLN CB C 23 30.560 29.260 1.300 1
1 226 . 20 1 1 A 28 28 GLN N N 23 123.980 123.734 0.246 1
1 228 . 20 1 1 A 29 29 ASP H H 24 8.710 8.601 0.109 1
1 229 . 20 1 1 A 29 29 ASP HA H 24 4.900 4.875 0.025 1
1 232 . 20 1 1 A 29 29 ASP CA C 24 53.040 53.547 -0.507 1
1 233 . 20 1 1 A 29 29 ASP CB C 24 42.730 42.571 0.159 1
1 234 . 20 1 1 A 29 29 ASP N N 24 126.160 125.105 1.055 1
1 235 . 20 1 1 A 30 30 THR H H 25 8.250 8.719 -0.469 1
1 236 . 20 1 1 A 30 30 THR HA H 25 4.120 3.992 0.128 1
1 241 . 20 1 1 A 30 30 THR CA C 25 65.160 65.194 -0.034 1
1 242 . 20 1 1 A 30 30 THR CB C 25 68.870 68.604 0.266 1
1 244 . 20 1 1 A 30 30 THR N N 25 112.460 116.379 -3.919 1
1 245 . 20 1 1 A 31 31 SER H H 26 8.940 8.188 0.752 1
1 246 . 20 1 1 A 31 31 SER HA H 26 4.560 4.373 0.187 1
1 249 . 20 1 1 A 31 31 SER CA C 26 59.690 60.306 -0.616 1
1 250 . 20 1 1 A 31 31 SER CB C 26 64.170 63.579 0.591 1
1 251 . 20 1 1 A 31 31 SER N N 26 117.280 117.005 0.275 1
1 252 . 20 1 1 A 32 32 GLY H H 27 7.890 7.511 0.379 1
1 253 . 20 1 1 A 32 32 GLY HA2 H 27 3.950 4.142 -0.192 1
1 254 . 20 1 1 A 32 32 GLY HA3 H 27 4.760 4.283 0.477 1
1 255 . 20 1 1 A 32 32 GLY CA C 27 44.820 45.251 -0.431 1
1 256 . 20 1 1 A 32 32 GLY N N 27 110.950 107.252 3.698 1
1 257 . 20 1 1 A 33 33 THR H H 28 8.460 8.186 0.274 1
1 258 . 20 1 1 A 33 33 THR HA H 28 5.230 4.981 0.249 1
1 263 . 20 1 1 A 33 33 THR CA C 28 61.750 62.573 -0.823 1
1 264 . 20 1 1 A 33 33 THR CB C 28 70.530 69.025 1.505 1
1 266 . 20 1 1 A 33 33 THR N N 28 117.690 116.405 1.285 1
1 267 . 20 1 1 A 34 34 TYR H H 29 8.700 8.521 0.179 1
1 268 . 20 1 1 A 34 34 TYR HA H 29 4.670 5.072 -0.402 1
1 275 . 20 1 1 A 34 34 TYR CA C 29 55.500 55.185 0.315 1
1 276 . 20 1 1 A 34 34 TYR CB C 29 38.140 41.240 -3.100 1
1 277 . 20 1 1 A 34 34 TYR N N 29 123.420 124.847 -1.427 1
1 278 . 20 1 1 A 35 35 TYR H H 30 8.920 9.136 -0.216 1
1 279 . 20 1 1 A 35 35 TYR HA H 30 5.330 5.697 -0.367 1
1 286 . 20 1 1 A 35 35 TYR CA C 30 57.550 56.555 0.995 1
1 287 . 20 1 1 A 35 35 TYR CB C 30 41.270 42.063 -0.793 1
1 288 . 20 1 1 A 35 35 TYR N N 30 116.920 116.619 0.301 1
1 289 . 20 1 1 A 36 36 TRP H H 31 9.580 8.853 0.727 1
1 290 . 20 1 1 A 36 36 TRP HA H 31 5.740 5.488 0.252 1
1 299 . 20 1 1 A 36 36 TRP CA C 31 54.290 56.240 -1.950 1
1 300 . 20 1 1 A 36 36 TRP CB C 31 33.420 32.398 1.022 1
1 301 . 20 1 1 A 36 36 TRP N N 31 126.100 126.163 -0.063 1
1 303 . 20 1 1 A 37 37 HIS H H 32 8.950 9.053 -0.103 1
1 304 . 20 1 1 A 37 37 HIS HA H 32 3.940 3.949 -0.009 1
1 309 . 20 1 1 A 37 37 HIS CA C 32 55.050 54.370 0.680 1
1 310 . 20 1 1 A 37 37 HIS CB C 32 29.110 29.398 -0.288 1
1 311 . 20 1 1 A 37 37 HIS N N 32 130.940 127.755 3.185 1
1 312 . 20 1 1 A 38 38 ILE H H 33 8.130 7.746 0.384 1
1 313 . 20 1 1 A 38 38 ILE HA H 33 2.920 3.090 -0.170 1
1 323 . 20 1 1 A 38 38 ILE CA C 33 65.700 65.856 -0.156 1
1 324 . 20 1 1 A 38 38 ILE CB C 33 35.350 34.692 0.658 1
1 328 . 20 1 1 A 38 38 ILE N N 33 127.650 126.081 1.569 1
1 329 . 20 1 1 A 39 39 PRO HA H 34 4.120 4.119 0.001 1
1 336 . 20 1 1 A 39 39 PRO CA C 34 65.700 66.201 -0.501 1
1 337 . 20 1 1 A 39 39 PRO CB C 34 32.150 30.557 1.593 1
1 340 . 20 1 1 A 40 40 THR H H 35 6.470 7.015 -0.545 1
1 341 . 20 1 1 A 40 40 THR HA H 35 4.510 4.145 0.365 1
1 346 . 20 1 1 A 40 40 THR CA C 35 61.240 62.390 -1.150 1
1 347 . 20 1 1 A 40 40 THR CB C 35 72.280 70.204 2.076 1
1 349 . 20 1 1 A 40 40 THR N N 35 100.770 109.022 -8.252 1
1 350 . 20 1 1 A 41 41 GLY H H 36 8.530 7.848 0.682 1
1 351 . 20 1 1 A 41 41 GLY HA2 H 36 3.660 4.083 -0.423 1
1 352 . 20 1 1 A 41 41 GLY HA3 H 36 4.210 4.244 -0.034 1
1 353 . 20 1 1 A 41 41 GLY CA C 36 46.220 45.109 1.111 1
1 354 . 20 1 1 A 41 41 GLY N N 36 113.280 111.232 2.048 1
1 355 . 20 1 1 A 42 42 THR H H 37 7.460 7.670 -0.210 1
1 356 . 20 1 1 A 42 42 THR HA H 37 4.260 4.512 -0.252 1
1 361 . 20 1 1 A 42 42 THR CA C 37 63.660 62.832 0.828 1
1 362 . 20 1 1 A 42 42 THR CB C 37 69.960 69.876 0.084 1
1 364 . 20 1 1 A 42 42 THR N N 37 115.720 116.976 -1.256 1
1 365 . 20 1 1 A 43 43 THR H H 38 8.420 8.906 -0.486 1
1 366 . 20 1 1 A 43 43 THR HA H 38 5.920 5.838 0.082 1
1 371 . 20 1 1 A 43 43 THR CA C 38 59.560 59.783 -0.223 1
1 372 . 20 1 1 A 43 43 THR CB C 38 72.140 71.859 0.281 1
1 374 . 20 1 1 A 43 43 THR N N 38 116.010 114.168 1.842 1
1 375 . 20 1 1 A 44 44 GLN H H 39 9.180 8.534 0.646 1
1 376 . 20 1 1 A 44 44 GLN HA H 39 4.930 5.109 -0.179 1
1 383 . 20 1 1 A 44 44 GLN CA C 39 54.890 54.480 0.410 1
1 384 . 20 1 1 A 44 44 GLN CB C 39 32.550 31.198 1.352 1
1 386 . 20 1 1 A 44 44 GLN N N 39 116.860 118.464 -1.604 1
1 388 . 20 1 1 A 45 45 TRP H H 40 8.890 8.790 0.100 1
1 389 . 20 1 1 A 45 45 TRP HA H 40 4.820 5.092 -0.272 1
1 397 . 20 1 1 A 45 45 TRP CA C 40 59.410 58.697 0.713 1
1 398 . 20 1 1 A 45 45 TRP CB C 40 30.270 31.689 -1.419 1
1 399 . 20 1 1 A 45 45 TRP N N 40 121.200 122.263 -1.063 1
1 400 . 20 1 1 A 46 46 GLU H H 41 7.970 8.164 -0.194 1
1 401 . 20 1 1 A 46 46 GLU HA H 41 4.720 4.685 0.035 1
1 406 . 20 1 1 A 46 46 GLU CA C 41 54.070 54.598 -0.528 1
1 407 . 20 1 1 A 46 46 GLU CB C 41 29.640 28.784 0.856 1
1 409 . 20 1 1 A 46 46 GLU N N 41 119.500 118.605 0.895 1
1 410 . 20 1 1 A 47 47 PRO HA H 42 2.900 3.136 -0.236 1
1 417 . 20 1 1 A 47 47 PRO CA C 42 60.700 61.469 -0.769 1
1 418 . 20 1 1 A 47 47 PRO CB C 42 29.760 31.596 -1.836 1
1 421 . 20 1 1 A 48 48 PRO HA H 43 3.770 3.904 -0.134 1
1 428 . 20 1 1 A 48 48 PRO CA C 43 61.890 63.287 -1.397 1
1 429 . 20 1 1 A 48 48 PRO CB C 43 30.880 30.616 0.264 1
1 432 . 20 1 1 A 49 49 GLY H H 44 8.020 8.340 -0.320 1
1 433 . 20 1 1 A 49 49 GLY HA2 H 44 3.770 4.049 -0.279 1
1 434 . 20 1 1 A 49 49 GLY HA3 H 44 3.770 4.071 -0.301 1
1 435 . 20 1 1 A 49 49 GLY CA C 44 44.770 44.514 0.256 1
1 436 . 20 1 1 A 49 49 GLY N N 44 107.850 110.845 -2.995 1
1 437 . 20 1 1 A 50 50 ARG H H 45 7.980 8.457 -0.477 1
1 438 . 20 1 1 A 50 50 ARG HA H 45 4.280 4.178 0.102 1
1 445 . 20 1 1 A 50 50 ARG CA C 45 55.730 56.611 -0.881 1
1 446 . 20 1 1 A 50 50 ARG CB C 45 31.150 30.529 0.621 1
1 449 . 20 1 1 A 50 50 ARG N N 45 119.870 122.084 -2.214 1
1 450 . 20 1 1 A 51 51 ALA H H 46 8.340 8.267 0.073 1
1 451 . 20 1 1 A 51 51 ALA HA H 46 4.330 4.310 0.020 1
1 455 . 20 1 1 A 51 51 ALA CA C 46 52.290 52.989 -0.699 1
1 456 . 20 1 1 A 51 51 ALA CB C 46 19.450 19.090 0.360 1
1 457 . 20 1 1 A 51 51 ALA N N 46 125.360 128.370 -3.010 1
1 458 . 20 1 1 A 52 52 SER H H 47 8.360 8.613 -0.253 1
1 459 . 20 1 1 A 52 52 SER HA H 47 4.730 5.063 -0.333 1
1 462 . 20 1 1 A 52 52 SER CA C 47 56.520 55.325 1.195 1
1 463 . 20 1 1 A 52 52 SER CB C 47 63.460 63.476 -0.016 1
1 464 . 20 1 1 A 52 52 SER N N 47 117.200 118.891 -1.691 1
1 465 . 20 1 1 A 53 53 PRO HA H 48 4.490 4.733 -0.243 1
1 472 . 20 1 1 A 53 53 PRO CA C 48 63.450 62.382 1.068 1
1 473 . 20 1 1 A 53 53 PRO CB C 48 32.280 33.211 -0.931 1
1 476 . 20 1 1 A 54 54 SER H H 49 8.420 8.492 -0.072 1
1 477 . 20 1 1 A 54 54 SER HA H 49 4.440 5.065 -0.625 1
1 480 . 20 1 1 A 54 54 SER CA C 49 58.490 57.691 0.799 1
1 481 . 20 1 1 A 54 54 SER CB C 49 63.990 65.664 -1.674 1
1 482 . 20 1 1 A 54 54 SER N N 49 116.680 112.725 3.955 1
1 8 . 21 1 1 A 7 7 SER H H 2 8.110 8.453 -0.343 1
1 9 . 21 1 1 A 7 7 SER HA H 2 4.360 5.036 -0.676 1
1 12 . 21 1 1 A 7 7 SER CA C 2 58.690 56.538 2.152 1
1 13 . 21 1 1 A 7 7 SER CB C 2 63.740 63.212 0.528 1
1 14 . 21 1 1 A 7 7 SER N N 2 115.530 116.296 -0.766 1
1 15 . 21 1 1 A 8 8 PHE H H 3 8.100 8.973 -0.873 1
1 16 . 21 1 1 A 8 8 PHE HA H 3 4.580 5.043 -0.463 1
1 21 . 21 1 1 A 8 8 PHE CA C 3 57.940 57.432 0.508 1
1 22 . 21 1 1 A 8 8 PHE CB C 3 39.440 42.249 -2.809 1
1 23 . 21 1 1 A 8 8 PHE N N 3 121.690 125.973 -4.283 1
1 24 . 21 1 1 A 9 9 TRP H H 4 7.960 8.282 -0.322 1
1 25 . 21 1 1 A 9 9 TRP HA H 4 4.580 3.865 0.715 1
1 33 . 21 1 1 A 9 9 TRP CA C 4 57.320 57.858 -0.538 1
1 34 . 21 1 1 A 9 9 TRP CB C 4 29.740 27.682 2.058 1
1 35 . 21 1 1 A 9 9 TRP N N 4 122.750 127.595 -4.845 1
1 36 . 21 1 1 A 10 10 ASN H H 5 7.960 7.866 0.094 1
1 37 . 21 1 1 A 10 10 ASN HA H 5 4.770 4.779 -0.009 1
1 42 . 21 1 1 A 10 10 ASN CA C 5 50.520 52.185 -1.665 1
1 43 . 21 1 1 A 10 10 ASN CB C 5 39.570 38.430 1.140 1
1 44 . 21 1 1 A 10 10 ASN N N 5 122.600 117.360 5.240 1
1 46 . 21 1 1 A 11 11 PRO HA H 6 4.090 4.547 -0.457 1
1 53 . 21 1 1 A 11 11 PRO CA C 6 63.660 65.925 -2.265 1
1 54 . 21 1 1 A 11 11 PRO CB C 6 32.160 31.554 0.606 1
1 57 . 21 1 1 A 12 12 ASN H H 7 8.100 8.066 0.034 1
1 58 . 21 1 1 A 12 12 ASN HA H 7 4.640 5.045 -0.405 1
1 63 . 21 1 1 A 12 12 ASN CA C 7 53.330 52.182 1.148 1
1 64 . 21 1 1 A 12 12 ASN CB C 7 38.910 38.640 0.270 1
1 65 . 21 1 1 A 12 12 ASN N N 7 116.820 115.199 1.621 1
1 67 . 21 1 1 A 13 13 ALA H H 8 7.760 8.274 -0.514 1
1 68 . 21 1 1 A 13 13 ALA HA H 8 4.190 4.725 -0.535 1
1 72 . 21 1 1 A 13 13 ALA CA C 8 52.840 52.043 0.797 1
1 73 . 21 1 1 A 13 13 ALA CB C 8 19.240 20.469 -1.229 1
1 74 . 21 1 1 A 13 13 ALA N N 8 123.280 125.946 -2.666 1
1 75 . 21 1 1 A 14 14 PHE H H 9 7.980 9.026 -1.046 1
1 76 . 21 1 1 A 14 14 PHE HA H 9 4.680 4.696 -0.016 1
1 81 . 21 1 1 A 14 14 PHE CA C 9 57.310 58.212 -0.902 1
1 82 . 21 1 1 A 14 14 PHE CB C 9 39.790 40.285 -0.495 1
1 83 . 21 1 1 A 14 14 PHE N N 9 118.120 121.276 -3.156 1
1 84 . 21 1 1 A 15 15 GLU H H 10 8.340 8.869 -0.529 1
1 85 . 21 1 1 A 15 15 GLU HA H 10 4.410 4.197 0.213 1
1 90 . 21 1 1 A 15 15 GLU CA C 10 56.550 57.341 -0.791 1
1 91 . 21 1 1 A 15 15 GLU CB C 10 30.750 29.381 1.369 1
1 93 . 21 1 1 A 15 15 GLU N N 10 122.120 127.841 -5.721 1
1 94 . 21 1 1 A 16 16 THR H H 11 8.230 8.438 -0.208 1
1 95 . 21 1 1 A 16 16 THR HA H 11 4.380 4.795 -0.415 1
1 100 . 21 1 1 A 16 16 THR CA C 11 61.900 60.608 1.292 1
1 101 . 21 1 1 A 16 16 THR CB C 11 69.890 70.124 -0.234 1
1 103 . 21 1 1 A 16 16 THR N N 11 114.830 116.715 -1.885 1
1 104 . 21 1 1 A 17 17 ASP H H 12 8.480 8.667 -0.187 1
1 105 . 21 1 1 A 17 17 ASP HA H 12 4.710 5.170 -0.460 1
1 108 . 21 1 1 A 17 17 ASP CA C 12 54.650 52.254 2.396 1
1 109 . 21 1 1 A 17 17 ASP CB C 12 41.480 44.234 -2.754 1
1 110 . 21 1 1 A 17 17 ASP N N 12 122.650 122.367 0.283 1
1 111 . 21 1 1 A 18 18 SER H H 13 8.330 8.827 -0.497 1
1 112 . 21 1 1 A 18 18 SER HA H 13 4.430 4.618 -0.188 1
1 115 . 21 1 1 A 18 18 SER CA C 13 59.130 57.786 1.344 1
1 116 . 21 1 1 A 18 18 SER CB C 13 63.900 62.588 1.312 1
1 117 . 21 1 1 A 18 18 SER N N 13 116.280 117.731 -1.451 1
1 118 . 21 1 1 A 19 19 ASP H H 14 8.560 8.212 0.348 1
1 119 . 21 1 1 A 19 19 ASP HA H 14 4.630 4.253 0.377 1
1 122 . 21 1 1 A 19 19 ASP CA C 14 54.300 54.963 -0.663 1
1 123 . 21 1 1 A 19 19 ASP CB C 14 40.820 39.552 1.268 1
1 124 . 21 1 1 A 19 19 ASP N N 14 121.330 118.859 2.471 1
1 125 . 21 1 1 A 20 20 LEU H H 15 7.990 7.835 0.155 1
1 126 . 21 1 1 A 20 20 LEU HA H 15 4.630 4.646 -0.016 1
1 136 . 21 1 1 A 20 20 LEU CA C 15 52.640 52.683 -0.043 1
1 137 . 21 1 1 A 20 20 LEU CB C 15 42.530 41.527 1.003 1
1 141 . 21 1 1 A 20 20 LEU N N 15 121.650 119.942 1.708 1
1 142 . 21 1 1 A 21 21 PRO HA H 16 4.570 4.653 -0.083 1
1 149 . 21 1 1 A 21 21 PRO CA C 16 62.080 62.309 -0.229 1
1 150 . 21 1 1 A 21 21 PRO CB C 16 31.760 33.319 -1.559 1
1 153 . 21 1 1 A 22 22 ALA H H 17 8.410 8.360 0.050 1
1 154 . 21 1 1 A 22 22 ALA HA H 17 4.210 4.719 -0.509 1
1 158 . 21 1 1 A 22 22 ALA CA C 17 53.950 51.990 1.960 1
1 159 . 21 1 1 A 22 22 ALA CB C 17 18.650 20.012 -1.362 1
1 160 . 21 1 1 A 22 22 ALA N N 17 122.940 123.031 -0.091 1
1 161 . 21 1 1 A 23 23 GLY H H 18 8.710 8.747 -0.037 1
1 162 . 21 1 1 A 23 23 GLY HA2 H 18 3.460 3.896 -0.436 1
1 163 . 21 1 1 A 23 23 GLY HA3 H 18 3.890 3.950 -0.060 1
1 164 . 21 1 1 A 23 23 GLY CA C 18 45.110 45.103 0.007 1
1 165 . 21 1 1 A 23 23 GLY N N 18 110.320 110.519 -0.199 1
1 166 . 21 1 1 A 24 24 TRP H H 19 7.810 7.970 -0.160 1
1 167 . 21 1 1 A 24 24 TRP HA H 19 5.520 5.119 0.401 1
1 175 . 21 1 1 A 24 24 TRP CA C 19 57.020 56.203 0.817 1
1 176 . 21 1 1 A 24 24 TRP CB C 19 32.270 32.930 -0.660 1
1 177 . 21 1 1 A 24 24 TRP N N 19 118.390 120.486 -2.096 1
1 178 . 21 1 1 A 25 25 MET H H 20 9.570 8.949 0.621 1
1 179 . 21 1 1 A 25 25 MET HA H 20 4.940 5.292 -0.352 1
1 184 . 21 1 1 A 25 25 MET CA C 20 54.390 54.089 0.301 1
1 185 . 21 1 1 A 25 25 MET CB C 20 37.220 36.494 0.726 1
1 187 . 21 1 1 A 25 25 MET N N 20 119.380 121.748 -2.368 1
1 188 . 21 1 1 A 26 26 ARG H H 21 8.880 8.763 0.117 1
1 189 . 21 1 1 A 26 26 ARG HA H 21 4.490 4.772 -0.282 1
1 196 . 21 1 1 A 26 26 ARG CA C 21 55.570 54.493 1.077 1
1 197 . 21 1 1 A 26 26 ARG CB C 21 31.880 32.359 -0.479 1
1 200 . 21 1 1 A 26 26 ARG N N 21 124.980 123.186 1.794 1
1 201 . 21 1 1 A 27 27 VAL H H 22 8.860 8.214 0.646 1
1 202 . 21 1 1 A 27 27 VAL HA H 22 3.960 4.716 -0.756 1
1 210 . 21 1 1 A 27 27 VAL CA C 22 61.320 59.920 1.400 1
1 211 . 21 1 1 A 27 27 VAL CB C 22 33.470 34.013 -0.543 1
1 214 . 21 1 1 A 27 27 VAL N N 22 128.370 126.357 2.013 1
1 215 . 21 1 1 A 28 28 GLN H H 23 8.230 8.588 -0.358 1
1 216 . 21 1 1 A 28 28 GLN HA H 23 4.980 4.875 0.105 1
1 223 . 21 1 1 A 28 28 GLN CA C 23 54.520 54.362 0.158 1
1 224 . 21 1 1 A 28 28 GLN CB C 23 30.560 29.436 1.124 1
1 226 . 21 1 1 A 28 28 GLN N N 23 123.980 122.608 1.372 1
1 228 . 21 1 1 A 29 29 ASP H H 24 8.710 8.766 -0.056 1
1 229 . 21 1 1 A 29 29 ASP HA H 24 4.900 4.966 -0.066 1
1 232 . 21 1 1 A 29 29 ASP CA C 24 53.040 53.784 -0.744 1
1 233 . 21 1 1 A 29 29 ASP CB C 24 42.730 42.577 0.153 1
1 234 . 21 1 1 A 29 29 ASP N N 24 126.160 124.721 1.439 1
1 235 . 21 1 1 A 30 30 THR H H 25 8.250 8.838 -0.588 1
1 236 . 21 1 1 A 30 30 THR HA H 25 4.120 3.993 0.127 1
1 241 . 21 1 1 A 30 30 THR CA C 25 65.160 66.100 -0.940 1
1 242 . 21 1 1 A 30 30 THR CB C 25 68.870 68.257 0.613 1
1 244 . 21 1 1 A 30 30 THR N N 25 112.460 116.826 -4.366 1
1 245 . 21 1 1 A 31 31 SER H H 26 8.940 8.224 0.716 1
1 246 . 21 1 1 A 31 31 SER HA H 26 4.560 4.299 0.261 1
1 249 . 21 1 1 A 31 31 SER CA C 26 59.690 60.284 -0.594 1
1 250 . 21 1 1 A 31 31 SER CB C 26 64.170 63.610 0.560 1
1 251 . 21 1 1 A 31 31 SER N N 26 117.280 116.524 0.756 1
1 252 . 21 1 1 A 32 32 GLY H H 27 7.890 7.342 0.548 1
1 253 . 21 1 1 A 32 32 GLY HA2 H 27 3.950 4.192 -0.242 1
1 254 . 21 1 1 A 32 32 GLY HA3 H 27 4.760 4.204 0.556 1
1 255 . 21 1 1 A 32 32 GLY CA C 27 44.820 44.929 -0.109 1
1 256 . 21 1 1 A 32 32 GLY N N 27 110.950 107.082 3.868 1
1 257 . 21 1 1 A 33 33 THR H H 28 8.460 8.606 -0.146 1
1 258 . 21 1 1 A 33 33 THR HA H 28 5.230 5.298 -0.068 1
1 263 . 21 1 1 A 33 33 THR CA C 28 61.750 63.012 -1.262 1
1 264 . 21 1 1 A 33 33 THR CB C 28 70.530 69.354 1.176 1
1 266 . 21 1 1 A 33 33 THR N N 28 117.690 116.806 0.884 1
1 267 . 21 1 1 A 34 34 TYR H H 29 8.700 8.765 -0.065 1
1 268 . 21 1 1 A 34 34 TYR HA H 29 4.670 5.602 -0.932 1
1 275 . 21 1 1 A 34 34 TYR CA C 29 55.500 55.570 -0.070 1
1 276 . 21 1 1 A 34 34 TYR CB C 29 38.140 41.092 -2.952 1
1 277 . 21 1 1 A 34 34 TYR N N 29 123.420 125.248 -1.828 1
1 278 . 21 1 1 A 35 35 TYR H H 30 8.920 9.031 -0.111 1
1 279 . 21 1 1 A 35 35 TYR HA H 30 5.330 5.787 -0.457 1
1 286 . 21 1 1 A 35 35 TYR CA C 30 57.550 56.693 0.857 1
1 287 . 21 1 1 A 35 35 TYR CB C 30 41.270 42.155 -0.885 1
1 288 . 21 1 1 A 35 35 TYR N N 30 116.920 116.587 0.333 1
1 289 . 21 1 1 A 36 36 TRP H H 31 9.580 8.913 0.667 1
1 290 . 21 1 1 A 36 36 TRP HA H 31 5.740 5.505 0.235 1
1 299 . 21 1 1 A 36 36 TRP CA C 31 54.290 55.634 -1.344 1
1 300 . 21 1 1 A 36 36 TRP CB C 31 33.420 31.240 2.180 1
1 301 . 21 1 1 A 36 36 TRP N N 31 126.100 125.426 0.674 1
1 303 . 21 1 1 A 37 37 HIS H H 32 8.950 8.976 -0.026 1
1 304 . 21 1 1 A 37 37 HIS HA H 32 3.940 3.731 0.209 1
1 309 . 21 1 1 A 37 37 HIS CA C 32 55.050 54.880 0.170 1
1 310 . 21 1 1 A 37 37 HIS CB C 32 29.110 29.634 -0.524 1
1 311 . 21 1 1 A 37 37 HIS N N 32 130.940 127.253 3.687 1
1 312 . 21 1 1 A 38 38 ILE H H 33 8.130 8.093 0.037 1
1 313 . 21 1 1 A 38 38 ILE HA H 33 2.920 3.150 -0.230 1
1 323 . 21 1 1 A 38 38 ILE CA C 33 65.700 65.928 -0.228 1
1 324 . 21 1 1 A 38 38 ILE CB C 33 35.350 35.033 0.317 1
1 328 . 21 1 1 A 38 38 ILE N N 33 127.650 127.157 0.493 1
1 329 . 21 1 1 A 39 39 PRO HA H 34 4.120 4.113 0.007 1
1 336 . 21 1 1 A 39 39 PRO CA C 34 65.700 66.155 -0.455 1
1 337 . 21 1 1 A 39 39 PRO CB C 34 32.150 30.569 1.581 1
1 340 . 21 1 1 A 40 40 THR H H 35 6.470 7.081 -0.611 1
1 341 . 21 1 1 A 40 40 THR HA H 35 4.510 4.071 0.439 1
1 346 . 21 1 1 A 40 40 THR CA C 35 61.240 62.195 -0.955 1
1 347 . 21 1 1 A 40 40 THR CB C 35 72.280 70.222 2.058 1
1 349 . 21 1 1 A 40 40 THR N N 35 100.770 109.080 -8.310 1
1 350 . 21 1 1 A 41 41 GLY H H 36 8.530 7.828 0.702 1
1 351 . 21 1 1 A 41 41 GLY HA2 H 36 3.660 4.021 -0.361 1
1 352 . 21 1 1 A 41 41 GLY HA3 H 36 4.210 4.152 0.058 1
1 353 . 21 1 1 A 41 41 GLY CA C 36 46.220 45.364 0.856 1
1 354 . 21 1 1 A 41 41 GLY N N 36 113.280 111.053 2.227 1
1 355 . 21 1 1 A 42 42 THR H H 37 7.460 7.440 0.020 1
1 356 . 21 1 1 A 42 42 THR HA H 37 4.260 4.336 -0.076 1
1 361 . 21 1 1 A 42 42 THR CA C 37 63.660 62.926 0.734 1
1 362 . 21 1 1 A 42 42 THR CB C 37 69.960 69.933 0.027 1
1 364 . 21 1 1 A 42 42 THR N N 37 115.720 116.594 -0.874 1
1 365 . 21 1 1 A 43 43 THR H H 38 8.420 8.762 -0.342 1
1 366 . 21 1 1 A 43 43 THR HA H 38 5.920 5.567 0.353 1
1 371 . 21 1 1 A 43 43 THR CA C 38 59.560 59.576 -0.016 1
1 372 . 21 1 1 A 43 43 THR CB C 38 72.140 71.793 0.347 1
1 374 . 21 1 1 A 43 43 THR N N 38 116.010 113.834 2.176 1
1 375 . 21 1 1 A 44 44 GLN H H 39 9.180 8.131 1.049 1
1 376 . 21 1 1 A 44 44 GLN HA H 39 4.930 4.757 0.173 1
1 383 . 21 1 1 A 44 44 GLN CA C 39 54.890 54.000 0.890 1
1 384 . 21 1 1 A 44 44 GLN CB C 39 32.550 31.307 1.243 1
1 386 . 21 1 1 A 44 44 GLN N N 39 116.860 118.153 -1.293 1
1 388 . 21 1 1 A 45 45 TRP H H 40 8.890 8.327 0.563 1
1 389 . 21 1 1 A 45 45 TRP HA H 40 4.820 5.186 -0.366 1
1 397 . 21 1 1 A 45 45 TRP CA C 40 59.410 58.295 1.115 1
1 398 . 21 1 1 A 45 45 TRP CB C 40 30.270 31.970 -1.700 1
1 399 . 21 1 1 A 45 45 TRP N N 40 121.200 120.662 0.538 1
1 400 . 21 1 1 A 46 46 GLU H H 41 7.970 8.186 -0.216 1
1 401 . 21 1 1 A 46 46 GLU HA H 41 4.720 4.696 0.024 1
1 406 . 21 1 1 A 46 46 GLU CA C 41 54.070 53.968 0.102 1
1 407 . 21 1 1 A 46 46 GLU CB C 41 29.640 29.925 -0.285 1
1 409 . 21 1 1 A 46 46 GLU N N 41 119.500 117.771 1.729 1
1 410 . 21 1 1 A 47 47 PRO HA H 42 2.900 3.388 -0.488 1
1 417 . 21 1 1 A 47 47 PRO CA C 42 60.700 61.481 -0.781 1
1 418 . 21 1 1 A 47 47 PRO CB C 42 29.760 31.529 -1.769 1
1 421 . 21 1 1 A 48 48 PRO HA H 43 3.770 4.030 -0.260 1
1 428 . 21 1 1 A 48 48 PRO CA C 43 61.890 63.962 -2.072 1
1 429 . 21 1 1 A 48 48 PRO CB C 43 30.880 31.181 -0.301 1
1 432 . 21 1 1 A 49 49 GLY H H 44 8.020 8.104 -0.084 1
1 433 . 21 1 1 A 49 49 GLY HA2 H 44 3.770 3.789 -0.019 1
1 434 . 21 1 1 A 49 49 GLY HA3 H 44 3.770 3.798 -0.028 1
1 435 . 21 1 1 A 49 49 GLY CA C 44 44.770 45.212 -0.442 1
1 436 . 21 1 1 A 49 49 GLY N N 44 107.850 110.143 -2.293 1
1 437 . 21 1 1 A 50 50 ARG H H 45 7.980 8.582 -0.602 1
1 438 . 21 1 1 A 50 50 ARG HA H 45 4.280 3.910 0.370 1
1 445 . 21 1 1 A 50 50 ARG CA C 45 55.730 59.269 -3.539 1
1 446 . 21 1 1 A 50 50 ARG CB C 45 31.150 30.314 0.836 1
1 449 . 21 1 1 A 50 50 ARG N N 45 119.870 121.971 -2.101 1
1 450 . 21 1 1 A 51 51 ALA H H 46 8.340 7.874 0.466 1
1 451 . 21 1 1 A 51 51 ALA HA H 46 4.330 4.108 0.222 1
1 455 . 21 1 1 A 51 51 ALA CA C 46 52.290 52.939 -0.649 1
1 456 . 21 1 1 A 51 51 ALA CB C 46 19.450 17.959 1.491 1
1 457 . 21 1 1 A 51 51 ALA N N 46 125.360 121.276 4.084 1
1 458 . 21 1 1 A 52 52 SER H H 47 8.360 8.440 -0.080 1
1 459 . 21 1 1 A 52 52 SER HA H 47 4.730 4.932 -0.202 1
1 462 . 21 1 1 A 52 52 SER CA C 47 56.520 54.873 1.647 1
1 463 . 21 1 1 A 52 52 SER CB C 47 63.460 64.732 -1.272 1
1 464 . 21 1 1 A 52 52 SER N N 47 117.200 118.879 -1.679 1
1 465 . 21 1 1 A 53 53 PRO HA H 48 4.490 4.746 -0.256 1
1 472 . 21 1 1 A 53 53 PRO CA C 48 63.450 62.400 1.050 1
1 473 . 21 1 1 A 53 53 PRO CB C 48 32.280 29.429 2.851 1
1 476 . 21 1 1 A 54 54 SER H H 49 8.420 8.332 0.088 1
1 477 . 21 1 1 A 54 54 SER HA H 49 4.440 4.990 -0.550 1
1 480 . 21 1 1 A 54 54 SER CA C 49 58.490 56.493 1.997 1
1 481 . 21 1 1 A 54 54 SER CB C 49 63.990 66.404 -2.414 1
1 482 . 21 1 1 A 54 54 SER N N 49 116.680 118.989 -2.309 1
1 8 . 22 1 1 A 7 7 SER H H 2 8.110 8.391 -0.281 1
1 9 . 22 1 1 A 7 7 SER HA H 2 4.360 4.969 -0.609 1
1 12 . 22 1 1 A 7 7 SER CA C 2 58.690 56.749 1.941 1
1 13 . 22 1 1 A 7 7 SER CB C 2 63.740 65.338 -1.598 1
1 14 . 22 1 1 A 7 7 SER N N 2 115.530 115.451 0.079 1
1 15 . 22 1 1 A 8 8 PHE H H 3 8.100 8.946 -0.846 1
1 16 . 22 1 1 A 8 8 PHE HA H 3 4.580 4.856 -0.276 1
1 21 . 22 1 1 A 8 8 PHE CA C 3 57.940 56.961 0.979 1
1 22 . 22 1 1 A 8 8 PHE CB C 3 39.440 39.468 -0.028 1
1 23 . 22 1 1 A 8 8 PHE N N 3 121.690 125.301 -3.611 1
1 24 . 22 1 1 A 9 9 TRP H H 4 7.960 8.888 -0.928 1
1 25 . 22 1 1 A 9 9 TRP HA H 4 4.580 4.646 -0.066 1
1 33 . 22 1 1 A 9 9 TRP CA C 4 57.320 56.771 0.549 1
1 34 . 22 1 1 A 9 9 TRP CB C 4 29.740 30.808 -1.068 1
1 35 . 22 1 1 A 9 9 TRP N N 4 122.750 126.633 -3.883 1
1 36 . 22 1 1 A 10 10 ASN H H 5 7.960 8.620 -0.660 1
1 37 . 22 1 1 A 10 10 ASN HA H 5 4.770 4.522 0.248 1
1 42 . 22 1 1 A 10 10 ASN CA C 5 50.520 51.565 -1.045 1
1 43 . 22 1 1 A 10 10 ASN CB C 5 39.570 37.494 2.076 1
1 44 . 22 1 1 A 10 10 ASN N N 5 122.600 118.458 4.142 1
1 46 . 22 1 1 A 11 11 PRO HA H 6 4.090 3.840 0.250 1
1 53 . 22 1 1 A 11 11 PRO CA C 6 63.660 65.840 -2.180 1
1 54 . 22 1 1 A 11 11 PRO CB C 6 32.160 31.189 0.971 1
1 57 . 22 1 1 A 12 12 ASN H H 7 8.100 7.904 0.196 1
1 58 . 22 1 1 A 12 12 ASN HA H 7 4.640 4.544 0.096 1
1 63 . 22 1 1 A 12 12 ASN CA C 7 53.330 55.999 -2.669 1
1 64 . 22 1 1 A 12 12 ASN CB C 7 38.910 38.744 0.166 1
1 65 . 22 1 1 A 12 12 ASN N N 7 116.820 115.168 1.652 1
1 67 . 22 1 1 A 13 13 ALA H H 8 7.760 7.883 -0.123 1
1 68 . 22 1 1 A 13 13 ALA HA H 8 4.190 4.161 0.029 1
1 72 . 22 1 1 A 13 13 ALA CA C 8 52.840 54.452 -1.612 1
1 73 . 22 1 1 A 13 13 ALA CB C 8 19.240 17.985 1.255 1
1 74 . 22 1 1 A 13 13 ALA N N 8 123.280 120.639 2.641 1
1 75 . 22 1 1 A 14 14 PHE H H 9 7.980 8.780 -0.800 1
1 76 . 22 1 1 A 14 14 PHE HA H 9 4.680 4.795 -0.115 1
1 81 . 22 1 1 A 14 14 PHE CA C 9 57.310 58.379 -1.069 1
1 82 . 22 1 1 A 14 14 PHE CB C 9 39.790 39.452 0.338 1
1 83 . 22 1 1 A 14 14 PHE N N 9 118.120 119.008 -0.888 1
1 84 . 22 1 1 A 15 15 GLU H H 10 8.340 8.459 -0.119 1
1 85 . 22 1 1 A 15 15 GLU HA H 10 4.410 4.399 0.011 1
1 90 . 22 1 1 A 15 15 GLU CA C 10 56.550 57.335 -0.785 1
1 91 . 22 1 1 A 15 15 GLU CB C 10 30.750 30.469 0.281 1
1 93 . 22 1 1 A 15 15 GLU N N 10 122.120 123.323 -1.203 1
1 94 . 22 1 1 A 16 16 THR H H 11 8.230 8.420 -0.190 1
1 95 . 22 1 1 A 16 16 THR HA H 11 4.380 4.671 -0.291 1
1 100 . 22 1 1 A 16 16 THR CA C 11 61.900 60.637 1.263 1
1 101 . 22 1 1 A 16 16 THR CB C 11 69.890 70.580 -0.690 1
1 103 . 22 1 1 A 16 16 THR N N 11 114.830 116.268 -1.438 1
1 104 . 22 1 1 A 17 17 ASP H H 12 8.480 8.520 -0.040 1
1 105 . 22 1 1 A 17 17 ASP HA H 12 4.710 4.637 0.073 1
1 108 . 22 1 1 A 17 17 ASP CA C 12 54.650 53.130 1.520 1
1 109 . 22 1 1 A 17 17 ASP CB C 12 41.480 41.609 -0.129 1
1 110 . 22 1 1 A 17 17 ASP N N 12 122.650 122.448 0.202 1
1 111 . 22 1 1 A 18 18 SER H H 13 8.330 8.880 -0.550 1
1 112 . 22 1 1 A 18 18 SER HA H 13 4.430 4.563 -0.133 1
1 115 . 22 1 1 A 18 18 SER CA C 13 59.130 60.380 -1.250 1
1 116 . 22 1 1 A 18 18 SER CB C 13 63.900 65.584 -1.684 1
1 117 . 22 1 1 A 18 18 SER N N 13 116.280 113.183 3.097 1
1 118 . 22 1 1 A 19 19 ASP H H 14 8.560 8.103 0.457 1
1 119 . 22 1 1 A 19 19 ASP HA H 14 4.630 4.752 -0.122 1
1 122 . 22 1 1 A 19 19 ASP CA C 14 54.300 53.439 0.861 1
1 123 . 22 1 1 A 19 19 ASP CB C 14 40.820 41.296 -0.476 1
1 124 . 22 1 1 A 19 19 ASP N N 14 121.330 120.264 1.066 1
1 125 . 22 1 1 A 20 20 LEU H H 15 7.990 7.669 0.321 1
1 126 . 22 1 1 A 20 20 LEU HA H 15 4.630 4.448 0.182 1
1 136 . 22 1 1 A 20 20 LEU CA C 15 52.640 52.419 0.221 1
1 137 . 22 1 1 A 20 20 LEU CB C 15 42.530 41.573 0.957 1
1 141 . 22 1 1 A 20 20 LEU N N 15 121.650 122.322 -0.672 1
1 142 . 22 1 1 A 21 21 PRO HA H 16 4.570 4.567 0.003 1
1 149 . 22 1 1 A 21 21 PRO CA C 16 62.080 62.240 -0.160 1
1 150 . 22 1 1 A 21 21 PRO CB C 16 31.760 33.175 -1.415 1
1 153 . 22 1 1 A 22 22 ALA H H 17 8.410 8.313 0.097 1
1 154 . 22 1 1 A 22 22 ALA HA H 17 4.210 4.398 -0.188 1
1 158 . 22 1 1 A 22 22 ALA CA C 17 53.950 52.965 0.985 1
1 159 . 22 1 1 A 22 22 ALA CB C 17 18.650 19.412 -0.762 1
1 160 . 22 1 1 A 22 22 ALA N N 17 122.940 123.368 -0.428 1
1 161 . 22 1 1 A 23 23 GLY H H 18 8.710 8.872 -0.162 1
1 162 . 22 1 1 A 23 23 GLY HA2 H 18 3.460 3.856 -0.396 1
1 163 . 22 1 1 A 23 23 GLY HA3 H 18 3.890 3.888 0.002 1
1 164 . 22 1 1 A 23 23 GLY CA C 18 45.110 45.130 -0.020 1
1 165 . 22 1 1 A 23 23 GLY N N 18 110.320 109.923 0.397 1
1 166 . 22 1 1 A 24 24 TRP H H 19 7.810 7.901 -0.091 1
1 167 . 22 1 1 A 24 24 TRP HA H 19 5.520 4.546 0.974 1
1 175 . 22 1 1 A 24 24 TRP CA C 19 57.020 58.021 -1.001 1
1 176 . 22 1 1 A 24 24 TRP CB C 19 32.270 29.831 2.439 1
1 177 . 22 1 1 A 24 24 TRP N N 19 118.390 120.977 -2.587 1
1 178 . 22 1 1 A 25 25 MET H H 20 9.570 8.984 0.586 1
1 179 . 22 1 1 A 25 25 MET HA H 20 4.940 5.243 -0.303 1
1 184 . 22 1 1 A 25 25 MET CA C 20 54.390 54.114 0.276 1
1 185 . 22 1 1 A 25 25 MET CB C 20 37.220 35.624 1.596 1
1 187 . 22 1 1 A 25 25 MET N N 20 119.380 121.919 -2.539 1
1 188 . 22 1 1 A 26 26 ARG H H 21 8.880 8.819 0.061 1
1 189 . 22 1 1 A 26 26 ARG HA H 21 4.490 5.313 -0.823 1
1 196 . 22 1 1 A 26 26 ARG CA C 21 55.570 54.836 0.734 1
1 197 . 22 1 1 A 26 26 ARG CB C 21 31.880 32.702 -0.822 1
1 200 . 22 1 1 A 26 26 ARG N N 21 124.980 123.480 1.500 1
1 201 . 22 1 1 A 27 27 VAL H H 22 8.860 8.295 0.565 1
1 202 . 22 1 1 A 27 27 VAL HA H 22 3.960 4.776 -0.816 1
1 210 . 22 1 1 A 27 27 VAL CA C 22 61.320 59.984 1.336 1
1 211 . 22 1 1 A 27 27 VAL CB C 22 33.470 34.120 -0.650 1
1 214 . 22 1 1 A 27 27 VAL N N 22 128.370 126.286 2.084 1
1 215 . 22 1 1 A 28 28 GLN H H 23 8.230 8.558 -0.328 1
1 216 . 22 1 1 A 28 28 GLN HA H 23 4.980 4.980 0.000 1
1 223 . 22 1 1 A 28 28 GLN CA C 23 54.520 54.042 0.478 1
1 224 . 22 1 1 A 28 28 GLN CB C 23 30.560 31.006 -0.446 1
1 226 . 22 1 1 A 28 28 GLN N N 23 123.980 123.627 0.353 1
1 228 . 22 1 1 A 29 29 ASP H H 24 8.710 8.879 -0.169 1
1 229 . 22 1 1 A 29 29 ASP HA H 24 4.900 5.096 -0.196 1
1 232 . 22 1 1 A 29 29 ASP CA C 24 53.040 52.605 0.435 1
1 233 . 22 1 1 A 29 29 ASP CB C 24 42.730 44.095 -1.365 1
1 234 . 22 1 1 A 29 29 ASP N N 24 126.160 126.028 0.132 1
1 235 . 22 1 1 A 30 30 THR H H 25 8.250 8.740 -0.490 1
1 236 . 22 1 1 A 30 30 THR HA H 25 4.120 3.980 0.140 1
1 241 . 22 1 1 A 30 30 THR CA C 25 65.160 66.052 -0.892 1
1 242 . 22 1 1 A 30 30 THR CB C 25 68.870 68.483 0.387 1
1 244 . 22 1 1 A 30 30 THR N N 25 112.460 116.670 -4.210 1
1 245 . 22 1 1 A 31 31 SER H H 26 8.940 8.148 0.792 1
1 246 . 22 1 1 A 31 31 SER HA H 26 4.560 4.307 0.253 1
1 249 . 22 1 1 A 31 31 SER CA C 26 59.690 60.687 -0.997 1
1 250 . 22 1 1 A 31 31 SER CB C 26 64.170 63.728 0.442 1
1 251 . 22 1 1 A 31 31 SER N N 26 117.280 116.606 0.674 1
1 252 . 22 1 1 A 32 32 GLY H H 27 7.890 7.553 0.337 1
1 253 . 22 1 1 A 32 32 GLY HA2 H 27 3.950 4.146 -0.196 1
1 254 . 22 1 1 A 32 32 GLY HA3 H 27 4.760 4.248 0.512 1
1 255 . 22 1 1 A 32 32 GLY CA C 27 44.820 45.107 -0.287 1
1 256 . 22 1 1 A 32 32 GLY N N 27 110.950 106.782 4.168 1
1 257 . 22 1 1 A 33 33 THR H H 28 8.460 8.644 -0.184 1
1 258 . 22 1 1 A 33 33 THR HA H 28 5.230 4.957 0.273 1
1 263 . 22 1 1 A 33 33 THR CA C 28 61.750 63.125 -1.375 1
1 264 . 22 1 1 A 33 33 THR CB C 28 70.530 68.868 1.662 1
1 266 . 22 1 1 A 33 33 THR N N 28 117.690 116.315 1.375 1
1 267 . 22 1 1 A 34 34 TYR H H 29 8.700 8.265 0.435 1
1 268 . 22 1 1 A 34 34 TYR HA H 29 4.670 4.616 0.054 1
1 275 . 22 1 1 A 34 34 TYR CA C 29 55.500 54.880 0.620 1
1 276 . 22 1 1 A 34 34 TYR CB C 29 38.140 40.087 -1.947 1
1 277 . 22 1 1 A 34 34 TYR N N 29 123.420 125.025 -1.605 1
1 278 . 22 1 1 A 35 35 TYR H H 30 8.920 8.320 0.600 1
1 279 . 22 1 1 A 35 35 TYR HA H 30 5.330 5.684 -0.354 1
1 286 . 22 1 1 A 35 35 TYR CA C 30 57.550 56.702 0.848 1
1 287 . 22 1 1 A 35 35 TYR CB C 30 41.270 42.733 -1.463 1
1 288 . 22 1 1 A 35 35 TYR N N 30 116.920 116.157 0.763 1
1 289 . 22 1 1 A 36 36 TRP H H 31 9.580 8.904 0.676 1
1 290 . 22 1 1 A 36 36 TRP HA H 31 5.740 5.563 0.177 1
1 299 . 22 1 1 A 36 36 TRP CA C 31 54.290 55.184 -0.894 1
1 300 . 22 1 1 A 36 36 TRP CB C 31 33.420 32.250 1.170 1
1 301 . 22 1 1 A 36 36 TRP N N 31 126.100 124.360 1.740 1
1 303 . 22 1 1 A 37 37 HIS H H 32 8.950 8.977 -0.027 1
1 304 . 22 1 1 A 37 37 HIS HA H 32 3.940 3.585 0.355 1
1 309 . 22 1 1 A 37 37 HIS CA C 32 55.050 54.818 0.232 1
1 310 . 22 1 1 A 37 37 HIS CB C 32 29.110 29.590 -0.480 1
1 311 . 22 1 1 A 37 37 HIS N N 32 130.940 127.270 3.670 1
1 312 . 22 1 1 A 38 38 ILE H H 33 8.130 8.086 0.044 1
1 313 . 22 1 1 A 38 38 ILE HA H 33 2.920 3.186 -0.266 1
1 323 . 22 1 1 A 38 38 ILE CA C 33 65.700 65.956 -0.256 1
1 324 . 22 1 1 A 38 38 ILE CB C 33 35.350 34.885 0.465 1
1 328 . 22 1 1 A 38 38 ILE N N 33 127.650 127.112 0.538 1
1 329 . 22 1 1 A 39 39 PRO HA H 34 4.120 4.114 0.006 1
1 336 . 22 1 1 A 39 39 PRO CA C 34 65.700 65.896 -0.196 1
1 337 . 22 1 1 A 39 39 PRO CB C 34 32.150 30.391 1.759 1
1 340 . 22 1 1 A 40 40 THR H H 35 6.470 7.081 -0.611 1
1 341 . 22 1 1 A 40 40 THR HA H 35 4.510 4.078 0.432 1
1 346 . 22 1 1 A 40 40 THR CA C 35 61.240 62.212 -0.972 1
1 347 . 22 1 1 A 40 40 THR CB C 35 72.280 70.202 2.078 1
1 349 . 22 1 1 A 40 40 THR N N 35 100.770 109.064 -8.294 1
1 350 . 22 1 1 A 41 41 GLY H H 36 8.530 7.841 0.689 1
1 351 . 22 1 1 A 41 41 GLY HA2 H 36 3.660 4.028 -0.368 1
1 352 . 22 1 1 A 41 41 GLY HA3 H 36 4.210 4.160 0.050 1
1 353 . 22 1 1 A 41 41 GLY CA C 36 46.220 45.453 0.767 1
1 354 . 22 1 1 A 41 41 GLY N N 36 113.280 111.292 1.988 1
1 355 . 22 1 1 A 42 42 THR H H 37 7.460 7.339 0.121 1
1 356 . 22 1 1 A 42 42 THR HA H 37 4.260 4.522 -0.262 1
1 361 . 22 1 1 A 42 42 THR CA C 37 63.660 62.731 0.929 1
1 362 . 22 1 1 A 42 42 THR CB C 37 69.960 69.814 0.146 1
1 364 . 22 1 1 A 42 42 THR N N 37 115.720 116.108 -0.388 1
1 365 . 22 1 1 A 43 43 THR H H 38 8.420 8.912 -0.492 1
1 366 . 22 1 1 A 43 43 THR HA H 38 5.920 5.568 0.352 1
1 371 . 22 1 1 A 43 43 THR CA C 38 59.560 59.573 -0.013 1
1 372 . 22 1 1 A 43 43 THR CB C 38 72.140 72.054 0.086 1
1 374 . 22 1 1 A 43 43 THR N N 38 116.010 113.663 2.347 1
1 375 . 22 1 1 A 44 44 GLN H H 39 9.180 8.507 0.673 1
1 376 . 22 1 1 A 44 44 GLN HA H 39 4.930 5.176 -0.246 1
1 383 . 22 1 1 A 44 44 GLN CA C 39 54.890 53.861 1.029 1
1 384 . 22 1 1 A 44 44 GLN CB C 39 32.550 33.313 -0.763 1
1 386 . 22 1 1 A 44 44 GLN N N 39 116.860 118.326 -1.466 1
1 388 . 22 1 1 A 45 45 TRP H H 40 8.890 8.868 0.022 1
1 389 . 22 1 1 A 45 45 TRP HA H 40 4.820 5.002 -0.182 1
1 397 . 22 1 1 A 45 45 TRP CA C 40 59.410 57.190 2.220 1
1 398 . 22 1 1 A 45 45 TRP CB C 40 30.270 31.111 -0.841 1
1 399 . 22 1 1 A 45 45 TRP N N 40 121.200 119.034 2.166 1
1 400 . 22 1 1 A 46 46 GLU H H 41 7.970 8.109 -0.139 1
1 401 . 22 1 1 A 46 46 GLU HA H 41 4.720 4.815 -0.095 1
1 406 . 22 1 1 A 46 46 GLU CA C 41 54.070 53.630 0.440 1
1 407 . 22 1 1 A 46 46 GLU CB C 41 29.640 30.788 -1.148 1
1 409 . 22 1 1 A 46 46 GLU N N 41 119.500 119.827 -0.327 1
1 410 . 22 1 1 A 47 47 PRO HA H 42 2.900 4.349 -1.449 1
1 417 . 22 1 1 A 47 47 PRO CA C 42 60.700 62.151 -1.451 1
1 418 . 22 1 1 A 47 47 PRO CB C 42 29.760 31.591 -1.831 1
1 421 . 22 1 1 A 48 48 PRO HA H 43 3.770 4.254 -0.484 1
1 428 . 22 1 1 A 48 48 PRO CA C 43 61.890 62.378 -0.488 1
1 429 . 22 1 1 A 48 48 PRO CB C 43 30.880 31.820 -0.940 1
1 432 . 22 1 1 A 49 49 GLY H H 44 8.020 8.316 -0.296 1
1 433 . 22 1 1 A 49 49 GLY HA2 H 44 3.770 4.057 -0.287 1
1 434 . 22 1 1 A 49 49 GLY HA3 H 44 3.770 4.073 -0.303 1
1 435 . 22 1 1 A 49 49 GLY CA C 44 44.770 45.439 -0.669 1
1 436 . 22 1 1 A 49 49 GLY N N 44 107.850 109.722 -1.872 1
1 437 . 22 1 1 A 50 50 ARG H H 45 7.980 8.104 -0.124 1
1 438 . 22 1 1 A 50 50 ARG HA H 45 4.280 4.330 -0.050 1
1 445 . 22 1 1 A 50 50 ARG CA C 45 55.730 57.309 -1.579 1
1 446 . 22 1 1 A 50 50 ARG CB C 45 31.150 31.252 -0.102 1
1 449 . 22 1 1 A 50 50 ARG N N 45 119.870 121.532 -1.662 1
1 450 . 22 1 1 A 51 51 ALA H H 46 8.340 7.467 0.873 1
1 451 . 22 1 1 A 51 51 ALA HA H 46 4.330 4.363 -0.033 1
1 455 . 22 1 1 A 51 51 ALA CA C 46 52.290 52.629 -0.339 1
1 456 . 22 1 1 A 51 51 ALA CB C 46 19.450 19.278 0.172 1
1 457 . 22 1 1 A 51 51 ALA N N 46 125.360 120.783 4.577 1
1 458 . 22 1 1 A 52 52 SER H H 47 8.360 8.750 -0.390 1
1 459 . 22 1 1 A 52 52 SER HA H 47 4.730 4.621 0.109 1
1 462 . 22 1 1 A 52 52 SER CA C 47 56.520 58.200 -1.680 1
1 463 . 22 1 1 A 52 52 SER CB C 47 63.460 61.905 1.555 1
1 464 . 22 1 1 A 52 52 SER N N 47 117.200 117.365 -0.165 1
1 465 . 22 1 1 A 53 53 PRO HA H 48 4.490 4.386 0.104 1
1 472 . 22 1 1 A 53 53 PRO CA C 48 63.450 66.033 -2.583 1
1 473 . 22 1 1 A 53 53 PRO CB C 48 32.280 31.466 0.814 1
1 476 . 22 1 1 A 54 54 SER H H 49 8.420 8.130 0.290 1
1 477 . 22 1 1 A 54 54 SER HA H 49 4.440 4.832 -0.392 1
1 480 . 22 1 1 A 54 54 SER CA C 49 58.490 56.553 1.937 1
1 481 . 22 1 1 A 54 54 SER CB C 49 63.990 65.356 -1.366 1
1 482 . 22 1 1 A 54 54 SER N N 49 116.680 112.885 3.795 1
1 8 . 23 1 1 A 7 7 SER H H 2 8.110 8.750 -0.640 1
1 9 . 23 1 1 A 7 7 SER HA H 2 4.360 4.994 -0.634 1
1 12 . 23 1 1 A 7 7 SER CA C 2 58.690 57.527 1.163 1
1 13 . 23 1 1 A 7 7 SER CB C 2 63.740 65.231 -1.491 1
1 14 . 23 1 1 A 7 7 SER N N 2 115.530 118.155 -2.625 1
1 15 . 23 1 1 A 8 8 PHE H H 3 8.100 8.849 -0.749 1
1 16 . 23 1 1 A 8 8 PHE HA H 3 4.580 4.731 -0.151 1
1 21 . 23 1 1 A 8 8 PHE CA C 3 57.940 59.189 -1.249 1
1 22 . 23 1 1 A 8 8 PHE CB C 3 39.440 40.768 -1.328 1
1 23 . 23 1 1 A 8 8 PHE N N 3 121.690 119.898 1.792 1
1 24 . 23 1 1 A 9 9 TRP H H 4 7.960 8.472 -0.512 1
1 25 . 23 1 1 A 9 9 TRP HA H 4 4.580 4.429 0.151 1
1 33 . 23 1 1 A 9 9 TRP CA C 4 57.320 60.065 -2.745 1
1 34 . 23 1 1 A 9 9 TRP CB C 4 29.740 29.645 0.095 1
1 35 . 23 1 1 A 9 9 TRP N N 4 122.750 120.065 2.685 1
1 36 . 23 1 1 A 10 10 ASN H H 5 7.960 7.962 -0.002 1
1 37 . 23 1 1 A 10 10 ASN HA H 5 4.770 5.131 -0.361 1
1 42 . 23 1 1 A 10 10 ASN CA C 5 50.520 49.748 0.772 1
1 43 . 23 1 1 A 10 10 ASN CB C 5 39.570 39.017 0.553 1
1 44 . 23 1 1 A 10 10 ASN N N 5 122.600 118.220 4.380 1
1 46 . 23 1 1 A 11 11 PRO HA H 6 4.090 4.481 -0.391 1
1 53 . 23 1 1 A 11 11 PRO CA C 6 63.660 64.254 -0.594 1
1 54 . 23 1 1 A 11 11 PRO CB C 6 32.160 31.899 0.261 1
1 57 . 23 1 1 A 12 12 ASN H H 7 8.100 7.936 0.164 1
1 58 . 23 1 1 A 12 12 ASN HA H 7 4.640 4.928 -0.288 1
1 63 . 23 1 1 A 12 12 ASN CA C 7 53.330 52.315 1.015 1
1 64 . 23 1 1 A 12 12 ASN CB C 7 38.910 39.014 -0.104 1
1 65 . 23 1 1 A 12 12 ASN N N 7 116.820 114.574 2.246 1
1 67 . 23 1 1 A 13 13 ALA H H 8 7.760 8.132 -0.372 1
1 68 . 23 1 1 A 13 13 ALA HA H 8 4.190 3.982 0.208 1
1 72 . 23 1 1 A 13 13 ALA CA C 8 52.840 54.335 -1.495 1
1 73 . 23 1 1 A 13 13 ALA CB C 8 19.240 18.269 0.971 1
1 74 . 23 1 1 A 13 13 ALA N N 8 123.280 120.330 2.950 1
1 75 . 23 1 1 A 14 14 PHE H H 9 7.980 8.391 -0.411 1
1 76 . 23 1 1 A 14 14 PHE HA H 9 4.680 4.262 0.418 1
1 81 . 23 1 1 A 14 14 PHE CA C 9 57.310 58.641 -1.331 1
1 82 . 23 1 1 A 14 14 PHE CB C 9 39.790 37.569 2.221 1
1 83 . 23 1 1 A 14 14 PHE N N 9 118.120 117.158 0.962 1
1 84 . 23 1 1 A 15 15 GLU H H 10 8.340 8.617 -0.277 1
1 85 . 23 1 1 A 15 15 GLU HA H 10 4.410 4.216 0.194 1
1 90 . 23 1 1 A 15 15 GLU CA C 10 56.550 57.042 -0.492 1
1 91 . 23 1 1 A 15 15 GLU CB C 10 30.750 30.262 0.488 1
1 93 . 23 1 1 A 15 15 GLU N N 10 122.120 125.172 -3.052 1
1 94 . 23 1 1 A 16 16 THR H H 11 8.230 8.179 0.051 1
1 95 . 23 1 1 A 16 16 THR HA H 11 4.380 4.338 0.042 1
1 100 . 23 1 1 A 16 16 THR CA C 11 61.900 60.625 1.275 1
1 101 . 23 1 1 A 16 16 THR CB C 11 69.890 70.699 -0.809 1
1 103 . 23 1 1 A 16 16 THR N N 11 114.830 116.985 -2.155 1
1 104 . 23 1 1 A 17 17 ASP H H 12 8.480 8.246 0.234 1
1 105 . 23 1 1 A 17 17 ASP HA H 12 4.710 4.383 0.327 1
1 108 . 23 1 1 A 17 17 ASP CA C 12 54.650 54.586 0.064 1
1 109 . 23 1 1 A 17 17 ASP CB C 12 41.480 42.383 -0.903 1
1 110 . 23 1 1 A 17 17 ASP N N 12 122.650 123.483 -0.833 1
1 111 . 23 1 1 A 18 18 SER H H 13 8.330 8.697 -0.367 1
1 112 . 23 1 1 A 18 18 SER HA H 13 4.430 4.492 -0.062 1
1 115 . 23 1 1 A 18 18 SER CA C 13 59.130 58.331 0.799 1
1 116 . 23 1 1 A 18 18 SER CB C 13 63.900 63.647 0.253 1
1 117 . 23 1 1 A 18 18 SER N N 13 116.280 117.637 -1.357 1
1 118 . 23 1 1 A 19 19 ASP H H 14 8.560 8.326 0.234 1
1 119 . 23 1 1 A 19 19 ASP HA H 14 4.630 4.813 -0.183 1
1 122 . 23 1 1 A 19 19 ASP CA C 14 54.300 52.995 1.305 1
1 123 . 23 1 1 A 19 19 ASP CB C 14 40.820 41.440 -0.620 1
1 124 . 23 1 1 A 19 19 ASP N N 14 121.330 119.559 1.771 1
1 125 . 23 1 1 A 20 20 LEU H H 15 7.990 8.003 -0.013 1
1 126 . 23 1 1 A 20 20 LEU HA H 15 4.630 4.558 0.072 1
1 136 . 23 1 1 A 20 20 LEU CA C 15 52.640 52.710 -0.070 1
1 137 . 23 1 1 A 20 20 LEU CB C 15 42.530 41.400 1.130 1
1 141 . 23 1 1 A 20 20 LEU N N 15 121.650 124.015 -2.365 1
1 142 . 23 1 1 A 21 21 PRO HA H 16 4.570 4.623 -0.053 1
1 149 . 23 1 1 A 21 21 PRO CA C 16 62.080 62.388 -0.308 1
1 150 . 23 1 1 A 21 21 PRO CB C 16 31.760 32.583 -0.823 1
1 153 . 23 1 1 A 22 22 ALA H H 17 8.410 8.278 0.132 1
1 154 . 23 1 1 A 22 22 ALA HA H 17 4.210 4.073 0.137 1
1 158 . 23 1 1 A 22 22 ALA CA C 17 53.950 53.830 0.120 1
1 159 . 23 1 1 A 22 22 ALA CB C 17 18.650 18.469 0.181 1
1 160 . 23 1 1 A 22 22 ALA N N 17 122.940 123.846 -0.906 1
1 161 . 23 1 1 A 23 23 GLY H H 18 8.710 8.774 -0.064 1
1 162 . 23 1 1 A 23 23 GLY HA2 H 18 3.460 3.821 -0.361 1
1 163 . 23 1 1 A 23 23 GLY HA3 H 18 3.890 3.874 0.016 1
1 164 . 23 1 1 A 23 23 GLY CA C 18 45.110 44.960 0.150 1
1 165 . 23 1 1 A 23 23 GLY N N 18 110.320 110.424 -0.104 1
1 166 . 23 1 1 A 24 24 TRP H H 19 7.810 7.548 0.262 1
1 167 . 23 1 1 A 24 24 TRP HA H 19 5.520 5.316 0.204 1
1 175 . 23 1 1 A 24 24 TRP CA C 19 57.020 55.895 1.125 1
1 176 . 23 1 1 A 24 24 TRP CB C 19 32.270 32.888 -0.618 1
1 177 . 23 1 1 A 24 24 TRP N N 19 118.390 120.358 -1.968 1
1 178 . 23 1 1 A 25 25 MET H H 20 9.570 9.187 0.383 1
1 179 . 23 1 1 A 25 25 MET HA H 20 4.940 5.367 -0.427 1
1 184 . 23 1 1 A 25 25 MET CA C 20 54.390 54.175 0.215 1
1 185 . 23 1 1 A 25 25 MET CB C 20 37.220 37.068 0.152 1
1 187 . 23 1 1 A 25 25 MET N N 20 119.380 120.865 -1.485 1
1 188 . 23 1 1 A 26 26 ARG H H 21 8.880 8.785 0.095 1
1 189 . 23 1 1 A 26 26 ARG HA H 21 4.490 4.588 -0.098 1
1 196 . 23 1 1 A 26 26 ARG CA C 21 55.570 54.497 1.073 1
1 197 . 23 1 1 A 26 26 ARG CB C 21 31.880 32.081 -0.201 1
1 200 . 23 1 1 A 26 26 ARG N N 21 124.980 123.232 1.748 1
1 201 . 23 1 1 A 27 27 VAL H H 22 8.860 8.066 0.794 1
1 202 . 23 1 1 A 27 27 VAL HA H 22 3.960 4.793 -0.833 1
1 210 . 23 1 1 A 27 27 VAL CA C 22 61.320 59.998 1.322 1
1 211 . 23 1 1 A 27 27 VAL CB C 22 33.470 33.941 -0.471 1
1 214 . 23 1 1 A 27 27 VAL N N 22 128.370 126.414 1.956 1
1 215 . 23 1 1 A 28 28 GLN H H 23 8.230 8.813 -0.583 1
1 216 . 23 1 1 A 28 28 GLN HA H 23 4.980 4.926 0.054 1
1 223 . 23 1 1 A 28 28 GLN CA C 23 54.520 54.454 0.066 1
1 224 . 23 1 1 A 28 28 GLN CB C 23 30.560 30.413 0.147 1
1 226 . 23 1 1 A 28 28 GLN N N 23 123.980 123.755 0.225 1
1 228 . 23 1 1 A 29 29 ASP H H 24 8.710 8.537 0.173 1
1 229 . 23 1 1 A 29 29 ASP HA H 24 4.900 5.069 -0.169 1
1 232 . 23 1 1 A 29 29 ASP CA C 24 53.040 52.933 0.107 1
1 233 . 23 1 1 A 29 29 ASP CB C 24 42.730 42.993 -0.263 1
1 234 . 23 1 1 A 29 29 ASP N N 24 126.160 127.374 -1.214 1
1 235 . 23 1 1 A 30 30 THR H H 25 8.250 8.959 -0.709 1
1 236 . 23 1 1 A 30 30 THR HA H 25 4.120 4.017 0.103 1
1 241 . 23 1 1 A 30 30 THR CA C 25 65.160 65.821 -0.661 1
1 242 . 23 1 1 A 30 30 THR CB C 25 68.870 68.252 0.618 1
1 244 . 23 1 1 A 30 30 THR N N 25 112.460 117.156 -4.696 1
1 245 . 23 1 1 A 31 31 SER H H 26 8.940 7.859 1.081 1
1 246 . 23 1 1 A 31 31 SER HA H 26 4.560 4.379 0.181 1
1 249 . 23 1 1 A 31 31 SER CA C 26 59.690 60.422 -0.732 1
1 250 . 23 1 1 A 31 31 SER CB C 26 64.170 64.150 0.020 1
1 251 . 23 1 1 A 31 31 SER N N 26 117.280 116.483 0.797 1
1 252 . 23 1 1 A 32 32 GLY H H 27 7.890 7.444 0.446 1
1 253 . 23 1 1 A 32 32 GLY HA2 H 27 3.950 4.136 -0.186 1
1 254 . 23 1 1 A 32 32 GLY HA3 H 27 4.760 4.244 0.516 1
1 255 . 23 1 1 A 32 32 GLY CA C 27 44.820 44.828 -0.008 1
1 256 . 23 1 1 A 32 32 GLY N N 27 110.950 107.696 3.254 1
1 257 . 23 1 1 A 33 33 THR H H 28 8.460 8.386 0.074 1
1 258 . 23 1 1 A 33 33 THR HA H 28 5.230 4.949 0.281 1
1 263 . 23 1 1 A 33 33 THR CA C 28 61.750 63.009 -1.259 1
1 264 . 23 1 1 A 33 33 THR CB C 28 70.530 68.734 1.796 1
1 266 . 23 1 1 A 33 33 THR N N 28 117.690 116.262 1.428 1
1 267 . 23 1 1 A 34 34 TYR H H 29 8.700 8.406 0.294 1
1 268 . 23 1 1 A 34 34 TYR HA H 29 4.670 5.172 -0.502 1
1 275 . 23 1 1 A 34 34 TYR CA C 29 55.500 55.245 0.255 1
1 276 . 23 1 1 A 34 34 TYR CB C 29 38.140 41.462 -3.322 1
1 277 . 23 1 1 A 34 34 TYR N N 29 123.420 125.092 -1.672 1
1 278 . 23 1 1 A 35 35 TYR H H 30 8.920 9.132 -0.212 1
1 279 . 23 1 1 A 35 35 TYR HA H 30 5.330 5.627 -0.297 1
1 286 . 23 1 1 A 35 35 TYR CA C 30 57.550 56.772 0.778 1
1 287 . 23 1 1 A 35 35 TYR CB C 30 41.270 41.020 0.250 1
1 288 . 23 1 1 A 35 35 TYR N N 30 116.920 116.821 0.099 1
1 289 . 23 1 1 A 36 36 TRP H H 31 9.580 8.959 0.621 1
1 290 . 23 1 1 A 36 36 TRP HA H 31 5.740 5.518 0.222 1
1 299 . 23 1 1 A 36 36 TRP CA C 31 54.290 56.934 -2.644 1
1 300 . 23 1 1 A 36 36 TRP CB C 31 33.420 31.834 1.586 1
1 301 . 23 1 1 A 36 36 TRP N N 31 126.100 127.577 -1.477 1
1 303 . 23 1 1 A 37 37 HIS H H 32 8.950 8.803 0.147 1
1 304 . 23 1 1 A 37 37 HIS HA H 32 3.940 3.926 0.014 1
1 309 . 23 1 1 A 37 37 HIS CA C 32 55.050 54.209 0.841 1
1 310 . 23 1 1 A 37 37 HIS CB C 32 29.110 29.816 -0.706 1
1 311 . 23 1 1 A 37 37 HIS N N 32 130.940 126.559 4.381 1
1 312 . 23 1 1 A 38 38 ILE H H 33 8.130 7.654 0.476 1
1 313 . 23 1 1 A 38 38 ILE HA H 33 2.920 2.871 0.049 1
1 323 . 23 1 1 A 38 38 ILE CA C 33 65.700 65.683 0.017 1
1 324 . 23 1 1 A 38 38 ILE CB C 33 35.350 34.622 0.728 1
1 328 . 23 1 1 A 38 38 ILE N N 33 127.650 125.861 1.789 1
1 329 . 23 1 1 A 39 39 PRO HA H 34 4.120 4.026 0.094 1
1 336 . 23 1 1 A 39 39 PRO CA C 34 65.700 66.130 -0.430 1
1 337 . 23 1 1 A 39 39 PRO CB C 34 32.150 30.549 1.601 1
1 340 . 23 1 1 A 40 40 THR H H 35 6.470 7.019 -0.549 1
1 341 . 23 1 1 A 40 40 THR HA H 35 4.510 4.242 0.268 1
1 346 . 23 1 1 A 40 40 THR CA C 35 61.240 63.899 -2.659 1
1 347 . 23 1 1 A 40 40 THR CB C 35 72.280 69.221 3.059 1
1 349 . 23 1 1 A 40 40 THR N N 35 100.770 110.531 -9.761 1
1 350 . 23 1 1 A 41 41 GLY H H 36 8.530 7.842 0.688 1
1 351 . 23 1 1 A 41 41 GLY HA2 H 36 3.660 4.100 -0.440 1
1 352 . 23 1 1 A 41 41 GLY HA3 H 36 4.210 4.230 -0.020 1
1 353 . 23 1 1 A 41 41 GLY CA C 36 46.220 45.084 1.136 1
1 354 . 23 1 1 A 41 41 GLY N N 36 113.280 108.482 4.798 1
1 355 . 23 1 1 A 42 42 THR H H 37 7.460 7.885 -0.425 1
1 356 . 23 1 1 A 42 42 THR HA H 37 4.260 4.525 -0.265 1
1 361 . 23 1 1 A 42 42 THR CA C 37 63.660 62.893 0.767 1
1 362 . 23 1 1 A 42 42 THR CB C 37 69.960 69.787 0.173 1
1 364 . 23 1 1 A 42 42 THR N N 37 115.720 117.531 -1.811 1
1 365 . 23 1 1 A 43 43 THR H H 38 8.420 9.044 -0.624 1
1 366 . 23 1 1 A 43 43 THR HA H 38 5.920 6.042 -0.122 1
1 371 . 23 1 1 A 43 43 THR CA C 38 59.560 59.661 -0.101 1
1 372 . 23 1 1 A 43 43 THR CB C 38 72.140 71.912 0.228 1
1 374 . 23 1 1 A 43 43 THR N N 38 116.010 114.087 1.923 1
1 375 . 23 1 1 A 44 44 GLN H H 39 9.180 8.533 0.647 1
1 376 . 23 1 1 A 44 44 GLN HA H 39 4.930 5.162 -0.232 1
1 383 . 23 1 1 A 44 44 GLN CA C 39 54.890 54.500 0.390 1
1 384 . 23 1 1 A 44 44 GLN CB C 39 32.550 30.909 1.641 1
1 386 . 23 1 1 A 44 44 GLN N N 39 116.860 118.641 -1.781 1
1 388 . 23 1 1 A 45 45 TRP H H 40 8.890 8.770 0.120 1
1 389 . 23 1 1 A 45 45 TRP HA H 40 4.820 5.088 -0.268 1
1 397 . 23 1 1 A 45 45 TRP CA C 40 59.410 58.853 0.557 1
1 398 . 23 1 1 A 45 45 TRP CB C 40 30.270 31.685 -1.415 1
1 399 . 23 1 1 A 45 45 TRP N N 40 121.200 123.128 -1.928 1
1 400 . 23 1 1 A 46 46 GLU H H 41 7.970 8.185 -0.215 1
1 401 . 23 1 1 A 46 46 GLU HA H 41 4.720 4.695 0.025 1
1 406 . 23 1 1 A 46 46 GLU CA C 41 54.070 54.732 -0.662 1
1 407 . 23 1 1 A 46 46 GLU CB C 41 29.640 28.731 0.909 1
1 409 . 23 1 1 A 46 46 GLU N N 41 119.500 118.717 0.783 1
1 410 . 23 1 1 A 47 47 PRO HA H 42 2.900 2.925 -0.025 1
1 417 . 23 1 1 A 47 47 PRO CA C 42 60.700 61.569 -0.869 1
1 418 . 23 1 1 A 47 47 PRO CB C 42 29.760 31.578 -1.818 1
1 421 . 23 1 1 A 48 48 PRO HA H 43 3.770 4.262 -0.492 1
1 428 . 23 1 1 A 48 48 PRO CA C 43 61.890 62.224 -0.334 1
1 429 . 23 1 1 A 48 48 PRO CB C 43 30.880 31.400 -0.520 1
1 432 . 23 1 1 A 49 49 GLY H H 44 8.020 8.067 -0.047 1
1 433 . 23 1 1 A 49 49 GLY HA2 H 44 3.770 4.084 -0.314 1
1 434 . 23 1 1 A 49 49 GLY HA3 H 44 3.770 4.098 -0.328 1
1 435 . 23 1 1 A 49 49 GLY CA C 44 44.770 45.133 -0.363 1
1 436 . 23 1 1 A 49 49 GLY N N 44 107.850 107.763 0.087 1
1 437 . 23 1 1 A 50 50 ARG H H 45 7.980 8.562 -0.582 1
1 438 . 23 1 1 A 50 50 ARG HA H 45 4.280 4.276 0.004 1
1 445 . 23 1 1 A 50 50 ARG CA C 45 55.730 57.160 -1.430 1
1 446 . 23 1 1 A 50 50 ARG CB C 45 31.150 31.585 -0.435 1
1 449 . 23 1 1 A 50 50 ARG N N 45 119.870 122.577 -2.707 1
1 450 . 23 1 1 A 51 51 ALA H H 46 8.340 7.526 0.814 1
1 451 . 23 1 1 A 51 51 ALA HA H 46 4.330 4.414 -0.084 1
1 455 . 23 1 1 A 51 51 ALA CA C 46 52.290 52.255 0.035 1
1 456 . 23 1 1 A 51 51 ALA CB C 46 19.450 20.276 -0.826 1
1 457 . 23 1 1 A 51 51 ALA N N 46 125.360 120.508 4.852 1
1 458 . 23 1 1 A 52 52 SER H H 47 8.360 8.747 -0.387 1
1 459 . 23 1 1 A 52 52 SER HA H 47 4.730 4.586 0.144 1
1 462 . 23 1 1 A 52 52 SER CA C 47 56.520 56.941 -0.421 1
1 463 . 23 1 1 A 52 52 SER CB C 47 63.460 62.616 0.844 1
1 464 . 23 1 1 A 52 52 SER N N 47 117.200 118.432 -1.232 1
1 465 . 23 1 1 A 53 53 PRO HA H 48 4.490 4.729 -0.239 1
1 472 . 23 1 1 A 53 53 PRO CA C 48 63.450 62.462 0.988 1
1 473 . 23 1 1 A 53 53 PRO CB C 48 32.280 33.296 -1.016 1
1 476 . 23 1 1 A 54 54 SER H H 49 8.420 8.522 -0.102 1
1 477 . 23 1 1 A 54 54 SER HA H 49 4.440 5.226 -0.786 1
1 480 . 23 1 1 A 54 54 SER CA C 49 58.490 56.958 1.532 1
1 481 . 23 1 1 A 54 54 SER CB C 49 63.990 66.710 -2.720 1
1 482 . 23 1 1 A 54 54 SER N N 49 116.680 115.110 1.570 1
1 8 . 24 1 1 A 7 7 SER H H 2 8.110 8.611 -0.501 1
1 9 . 24 1 1 A 7 7 SER HA H 2 4.360 4.427 -0.067 1
1 12 . 24 1 1 A 7 7 SER CA C 2 58.690 60.289 -1.599 1
1 13 . 24 1 1 A 7 7 SER CB C 2 63.740 63.230 0.510 1
1 14 . 24 1 1 A 7 7 SER N N 2 115.530 115.964 -0.434 1
1 15 . 24 1 1 A 8 8 PHE H H 3 8.100 9.061 -0.961 1
1 16 . 24 1 1 A 8 8 PHE HA H 3 4.580 4.091 0.489 1
1 21 . 24 1 1 A 8 8 PHE CA C 3 57.940 61.653 -3.713 1
1 22 . 24 1 1 A 8 8 PHE CB C 3 39.440 39.396 0.044 1
1 23 . 24 1 1 A 8 8 PHE N N 3 121.690 125.913 -4.223 1
1 24 . 24 1 1 A 9 9 TRP H H 4 7.960 7.890 0.070 1
1 25 . 24 1 1 A 9 9 TRP HA H 4 4.580 4.330 0.250 1
1 33 . 24 1 1 A 9 9 TRP CA C 4 57.320 56.831 0.489 1
1 34 . 24 1 1 A 9 9 TRP CB C 4 29.740 28.880 0.860 1
1 35 . 24 1 1 A 9 9 TRP N N 4 122.750 117.064 5.686 1
1 36 . 24 1 1 A 10 10 ASN H H 5 7.960 8.034 -0.074 1
1 37 . 24 1 1 A 10 10 ASN HA H 5 4.770 5.018 -0.248 1
1 42 . 24 1 1 A 10 10 ASN CA C 5 50.520 51.492 -0.972 1
1 43 . 24 1 1 A 10 10 ASN CB C 5 39.570 39.508 0.062 1
1 44 . 24 1 1 A 10 10 ASN N N 5 122.600 123.522 -0.922 1
1 46 . 24 1 1 A 11 11 PRO HA H 6 4.090 4.517 -0.427 1
1 53 . 24 1 1 A 11 11 PRO CA C 6 63.660 64.373 -0.713 1
1 54 . 24 1 1 A 11 11 PRO CB C 6 32.160 32.173 -0.013 1
1 57 . 24 1 1 A 12 12 ASN H H 7 8.100 8.348 -0.248 1
1 58 . 24 1 1 A 12 12 ASN HA H 7 4.640 4.943 -0.303 1
1 63 . 24 1 1 A 12 12 ASN CA C 7 53.330 52.383 0.947 1
1 64 . 24 1 1 A 12 12 ASN CB C 7 38.910 38.940 -0.030 1
1 65 . 24 1 1 A 12 12 ASN N N 7 116.820 116.299 0.521 1
1 67 . 24 1 1 A 13 13 ALA H H 8 7.760 7.966 -0.206 1
1 68 . 24 1 1 A 13 13 ALA HA H 8 4.190 4.988 -0.798 1
1 72 . 24 1 1 A 13 13 ALA CA C 8 52.840 49.983 2.857 1
1 73 . 24 1 1 A 13 13 ALA CB C 8 19.240 22.174 -2.934 1
1 74 . 24 1 1 A 13 13 ALA N N 8 123.280 123.330 -0.050 1
1 75 . 24 1 1 A 14 14 PHE H H 9 7.980 8.769 -0.789 1
1 76 . 24 1 1 A 14 14 PHE HA H 9 4.680 4.462 0.218 1
1 81 . 24 1 1 A 14 14 PHE CA C 9 57.310 58.307 -0.997 1
1 82 . 24 1 1 A 14 14 PHE CB C 9 39.790 39.418 0.372 1
1 83 . 24 1 1 A 14 14 PHE N N 9 118.120 122.372 -4.252 1
1 84 . 24 1 1 A 15 15 GLU H H 10 8.340 8.599 -0.259 1
1 85 . 24 1 1 A 15 15 GLU HA H 10 4.410 4.294 0.116 1
1 90 . 24 1 1 A 15 15 GLU CA C 10 56.550 55.051 1.499 1
1 91 . 24 1 1 A 15 15 GLU CB C 10 30.750 30.199 0.551 1
1 93 . 24 1 1 A 15 15 GLU N N 10 122.120 125.440 -3.320 1
1 94 . 24 1 1 A 16 16 THR H H 11 8.230 8.382 -0.152 1
1 95 . 24 1 1 A 16 16 THR HA H 11 4.380 4.307 0.073 1
1 100 . 24 1 1 A 16 16 THR CA C 11 61.900 60.932 0.968 1
1 101 . 24 1 1 A 16 16 THR CB C 11 69.890 69.608 0.282 1
1 103 . 24 1 1 A 16 16 THR N N 11 114.830 113.644 1.186 1
1 104 . 24 1 1 A 17 17 ASP H H 12 8.480 8.377 0.103 1
1 105 . 24 1 1 A 17 17 ASP HA H 12 4.710 4.680 0.030 1
1 108 . 24 1 1 A 17 17 ASP CA C 12 54.650 53.028 1.622 1
1 109 . 24 1 1 A 17 17 ASP CB C 12 41.480 41.452 0.028 1
1 110 . 24 1 1 A 17 17 ASP N N 12 122.650 122.963 -0.313 1
1 111 . 24 1 1 A 18 18 SER H H 13 8.330 8.766 -0.436 1
1 112 . 24 1 1 A 18 18 SER HA H 13 4.430 4.668 -0.238 1
1 115 . 24 1 1 A 18 18 SER CA C 13 59.130 58.636 0.494 1
1 116 . 24 1 1 A 18 18 SER CB C 13 63.900 64.306 -0.406 1
1 117 . 24 1 1 A 18 18 SER N N 13 116.280 113.365 2.915 1
1 118 . 24 1 1 A 19 19 ASP H H 14 8.560 7.691 0.869 1
1 119 . 24 1 1 A 19 19 ASP HA H 14 4.630 4.936 -0.306 1
1 122 . 24 1 1 A 19 19 ASP CA C 14 54.300 53.029 1.271 1
1 123 . 24 1 1 A 19 19 ASP CB C 14 40.820 40.581 0.239 1
1 124 . 24 1 1 A 19 19 ASP N N 14 121.330 118.555 2.775 1
1 125 . 24 1 1 A 20 20 LEU H H 15 7.990 8.489 -0.499 1
1 126 . 24 1 1 A 20 20 LEU HA H 15 4.630 4.620 0.010 1
1 136 . 24 1 1 A 20 20 LEU CA C 15 52.640 52.717 -0.077 1
1 137 . 24 1 1 A 20 20 LEU CB C 15 42.530 41.475 1.055 1
1 141 . 24 1 1 A 20 20 LEU N N 15 121.650 122.281 -0.631 1
1 142 . 24 1 1 A 21 21 PRO HA H 16 4.570 4.642 -0.072 1
1 149 . 24 1 1 A 21 21 PRO CA C 16 62.080 62.347 -0.267 1
1 150 . 24 1 1 A 21 21 PRO CB C 16 31.760 33.342 -1.582 1
1 153 . 24 1 1 A 22 22 ALA H H 17 8.410 8.352 0.058 1
1 154 . 24 1 1 A 22 22 ALA HA H 17 4.210 4.669 -0.459 1
1 158 . 24 1 1 A 22 22 ALA CA C 17 53.950 51.949 2.001 1
1 159 . 24 1 1 A 22 22 ALA CB C 17 18.650 20.016 -1.366 1
1 160 . 24 1 1 A 22 22 ALA N N 17 122.940 122.980 -0.040 1
1 161 . 24 1 1 A 23 23 GLY H H 18 8.710 8.806 -0.096 1
1 162 . 24 1 1 A 23 23 GLY HA2 H 18 3.460 3.884 -0.424 1
1 163 . 24 1 1 A 23 23 GLY HA3 H 18 3.890 3.923 -0.033 1
1 164 . 24 1 1 A 23 23 GLY CA C 18 45.110 45.063 0.047 1
1 165 . 24 1 1 A 23 23 GLY N N 18 110.320 110.694 -0.374 1
1 166 . 24 1 1 A 24 24 TRP H H 19 7.810 7.987 -0.177 1
1 167 . 24 1 1 A 24 24 TRP HA H 19 5.520 4.692 0.828 1
1 175 . 24 1 1 A 24 24 TRP CA C 19 57.020 57.298 -0.278 1
1 176 . 24 1 1 A 24 24 TRP CB C 19 32.270 30.985 1.285 1
1 177 . 24 1 1 A 24 24 TRP N N 19 118.390 121.265 -2.875 1
1 178 . 24 1 1 A 25 25 MET H H 20 9.570 8.972 0.598 1
1 179 . 24 1 1 A 25 25 MET HA H 20 4.940 5.320 -0.380 1
1 184 . 24 1 1 A 25 25 MET CA C 20 54.390 54.166 0.224 1
1 185 . 24 1 1 A 25 25 MET CB C 20 37.220 36.684 0.536 1
1 187 . 24 1 1 A 25 25 MET N N 20 119.380 120.891 -1.511 1
1 188 . 24 1 1 A 26 26 ARG H H 21 8.880 8.794 0.086 1
1 189 . 24 1 1 A 26 26 ARG HA H 21 4.490 4.799 -0.309 1
1 196 . 24 1 1 A 26 26 ARG CA C 21 55.570 54.584 0.986 1
1 197 . 24 1 1 A 26 26 ARG CB C 21 31.880 32.535 -0.655 1
1 200 . 24 1 1 A 26 26 ARG N N 21 124.980 123.087 1.893 1
1 201 . 24 1 1 A 27 27 VAL H H 22 8.860 8.210 0.650 1
1 202 . 24 1 1 A 27 27 VAL HA H 22 3.960 4.881 -0.921 1
1 210 . 24 1 1 A 27 27 VAL CA C 22 61.320 60.001 1.319 1
1 211 . 24 1 1 A 27 27 VAL CB C 22 33.470 34.105 -0.635 1
1 214 . 24 1 1 A 27 27 VAL N N 22 128.370 126.255 2.115 1
1 215 . 24 1 1 A 28 28 GLN H H 23 8.230 8.555 -0.325 1
1 216 . 24 1 1 A 28 28 GLN HA H 23 4.980 4.695 0.285 1
1 223 . 24 1 1 A 28 28 GLN CA C 23 54.520 54.302 0.218 1
1 224 . 24 1 1 A 28 28 GLN CB C 23 30.560 29.475 1.085 1
1 226 . 24 1 1 A 28 28 GLN N N 23 123.980 124.113 -0.133 1
1 228 . 24 1 1 A 29 29 ASP H H 24 8.710 8.529 0.181 1
1 229 . 24 1 1 A 29 29 ASP HA H 24 4.900 4.937 -0.037 1
1 232 . 24 1 1 A 29 29 ASP CA C 24 53.040 53.456 -0.416 1
1 233 . 24 1 1 A 29 29 ASP CB C 24 42.730 42.583 0.147 1
1 234 . 24 1 1 A 29 29 ASP N N 24 126.160 127.524 -1.364 1
1 235 . 24 1 1 A 30 30 THR H H 25 8.250 8.808 -0.558 1
1 236 . 24 1 1 A 30 30 THR HA H 25 4.120 3.968 0.152 1
1 241 . 24 1 1 A 30 30 THR CA C 25 65.160 65.860 -0.700 1
1 242 . 24 1 1 A 30 30 THR CB C 25 68.870 68.236 0.634 1
1 244 . 24 1 1 A 30 30 THR N N 25 112.460 116.784 -4.324 1
1 245 . 24 1 1 A 31 31 SER H H 26 8.940 8.198 0.742 1
1 246 . 24 1 1 A 31 31 SER HA H 26 4.560 4.351 0.209 1
1 249 . 24 1 1 A 31 31 SER CA C 26 59.690 60.082 -0.392 1
1 250 . 24 1 1 A 31 31 SER CB C 26 64.170 63.602 0.568 1
1 251 . 24 1 1 A 31 31 SER N N 26 117.280 115.933 1.347 1
1 252 . 24 1 1 A 32 32 GLY H H 27 7.890 7.292 0.598 1
1 253 . 24 1 1 A 32 32 GLY HA2 H 27 3.950 4.187 -0.237 1
1 254 . 24 1 1 A 32 32 GLY HA3 H 27 4.760 4.319 0.441 1
1 255 . 24 1 1 A 32 32 GLY CA C 27 44.820 44.806 0.014 1
1 256 . 24 1 1 A 32 32 GLY N N 27 110.950 106.916 4.034 1
1 257 . 24 1 1 A 33 33 THR H H 28 8.460 8.639 -0.179 1
1 258 . 24 1 1 A 33 33 THR HA H 28 5.230 5.074 0.156 1
1 263 . 24 1 1 A 33 33 THR CA C 28 61.750 63.144 -1.394 1
1 264 . 24 1 1 A 33 33 THR CB C 28 70.530 69.011 1.519 1
1 266 . 24 1 1 A 33 33 THR N N 28 117.690 116.410 1.280 1
1 267 . 24 1 1 A 34 34 TYR H H 29 8.700 8.471 0.229 1
1 268 . 24 1 1 A 34 34 TYR HA H 29 4.670 5.157 -0.487 1
1 275 . 24 1 1 A 34 34 TYR CA C 29 55.500 55.178 0.322 1
1 276 . 24 1 1 A 34 34 TYR CB C 29 38.140 40.244 -2.104 1
1 277 . 24 1 1 A 34 34 TYR N N 29 123.420 124.966 -1.546 1
1 278 . 24 1 1 A 35 35 TYR H H 30 8.920 8.620 0.300 1
1 279 . 24 1 1 A 35 35 TYR HA H 30 5.330 5.656 -0.326 1
1 286 . 24 1 1 A 35 35 TYR CA C 30 57.550 56.640 0.910 1
1 287 . 24 1 1 A 35 35 TYR CB C 30 41.270 42.816 -1.546 1
1 288 . 24 1 1 A 35 35 TYR N N 30 116.920 116.124 0.796 1
1 289 . 24 1 1 A 36 36 TRP H H 31 9.580 8.903 0.677 1
1 290 . 24 1 1 A 36 36 TRP HA H 31 5.740 5.622 0.118 1
1 299 . 24 1 1 A 36 36 TRP CA C 31 54.290 55.316 -1.026 1
1 300 . 24 1 1 A 36 36 TRP CB C 31 33.420 32.116 1.304 1
1 301 . 24 1 1 A 36 36 TRP N N 31 126.100 124.423 1.677 1
1 303 . 24 1 1 A 37 37 HIS H H 32 8.950 9.021 -0.071 1
1 304 . 24 1 1 A 37 37 HIS HA H 32 3.940 3.719 0.221 1
1 309 . 24 1 1 A 37 37 HIS CA C 32 55.050 54.678 0.372 1
1 310 . 24 1 1 A 37 37 HIS CB C 32 29.110 29.369 -0.259 1
1 311 . 24 1 1 A 37 37 HIS N N 32 130.940 127.410 3.530 1
1 312 . 24 1 1 A 38 38 ILE H H 33 8.130 8.075 0.055 1
1 313 . 24 1 1 A 38 38 ILE HA H 33 2.920 3.217 -0.297 1
1 323 . 24 1 1 A 38 38 ILE CA C 33 65.700 65.946 -0.246 1
1 324 . 24 1 1 A 38 38 ILE CB C 33 35.350 35.034 0.316 1
1 328 . 24 1 1 A 38 38 ILE N N 33 127.650 127.047 0.603 1
1 329 . 24 1 1 A 39 39 PRO HA H 34 4.120 4.118 0.002 1
1 336 . 24 1 1 A 39 39 PRO CA C 34 65.700 65.996 -0.296 1
1 337 . 24 1 1 A 39 39 PRO CB C 34 32.150 30.547 1.603 1
1 340 . 24 1 1 A 40 40 THR H H 35 6.470 7.099 -0.629 1
1 341 . 24 1 1 A 40 40 THR HA H 35 4.510 4.074 0.436 1
1 346 . 24 1 1 A 40 40 THR CA C 35 61.240 62.197 -0.957 1
1 347 . 24 1 1 A 40 40 THR CB C 35 72.280 70.158 2.122 1
1 349 . 24 1 1 A 40 40 THR N N 35 100.770 109.095 -8.325 1
1 350 . 24 1 1 A 41 41 GLY H H 36 8.530 7.740 0.790 1
1 351 . 24 1 1 A 41 41 GLY HA2 H 36 3.660 4.040 -0.380 1
1 352 . 24 1 1 A 41 41 GLY HA3 H 36 4.210 4.169 0.041 1
1 353 . 24 1 1 A 41 41 GLY CA C 36 46.220 45.454 0.766 1
1 354 . 24 1 1 A 41 41 GLY N N 36 113.280 111.574 1.706 1
1 355 . 24 1 1 A 42 42 THR H H 37 7.460 7.415 0.045 1
1 356 . 24 1 1 A 42 42 THR HA H 37 4.260 4.520 -0.260 1
1 361 . 24 1 1 A 42 42 THR CA C 37 63.660 62.796 0.864 1
1 362 . 24 1 1 A 42 42 THR CB C 37 69.960 69.888 0.072 1
1 364 . 24 1 1 A 42 42 THR N N 37 115.720 116.478 -0.758 1
1 365 . 24 1 1 A 43 43 THR H H 38 8.420 8.909 -0.489 1
1 366 . 24 1 1 A 43 43 THR HA H 38 5.920 5.550 0.370 1
1 371 . 24 1 1 A 43 43 THR CA C 38 59.560 59.497 0.063 1
1 372 . 24 1 1 A 43 43 THR CB C 38 72.140 71.954 0.186 1
1 374 . 24 1 1 A 43 43 THR N N 38 116.010 113.839 2.171 1
1 375 . 24 1 1 A 44 44 GLN H H 39 9.180 8.649 0.531 1
1 376 . 24 1 1 A 44 44 GLN HA H 39 4.930 5.073 -0.143 1
1 383 . 24 1 1 A 44 44 GLN CA C 39 54.890 53.972 0.918 1
1 384 . 24 1 1 A 44 44 GLN CB C 39 32.550 32.949 -0.399 1
1 386 . 24 1 1 A 44 44 GLN N N 39 116.860 118.947 -2.087 1
1 388 . 24 1 1 A 45 45 TRP H H 40 8.890 8.778 0.112 1
1 389 . 24 1 1 A 45 45 TRP HA H 40 4.820 5.385 -0.565 1
1 397 . 24 1 1 A 45 45 TRP CA C 40 59.410 57.358 2.052 1
1 398 . 24 1 1 A 45 45 TRP CB C 40 30.270 31.305 -1.035 1
1 399 . 24 1 1 A 45 45 TRP N N 40 121.200 119.413 1.787 1
1 400 . 24 1 1 A 46 46 GLU H H 41 7.970 7.941 0.029 1
1 401 . 24 1 1 A 46 46 GLU HA H 41 4.720 4.660 0.060 1
1 406 . 24 1 1 A 46 46 GLU CA C 41 54.070 53.134 0.936 1
1 407 . 24 1 1 A 46 46 GLU CB C 41 29.640 30.732 -1.092 1
1 409 . 24 1 1 A 46 46 GLU N N 41 119.500 119.279 0.221 1
1 410 . 24 1 1 A 47 47 PRO HA H 42 2.900 4.115 -1.215 1
1 417 . 24 1 1 A 47 47 PRO CA C 42 60.700 61.850 -1.150 1
1 418 . 24 1 1 A 47 47 PRO CB C 42 29.760 31.526 -1.766 1
1 421 . 24 1 1 A 48 48 PRO HA H 43 3.770 4.186 -0.416 1
1 428 . 24 1 1 A 48 48 PRO CA C 43 61.890 63.034 -1.144 1
1 429 . 24 1 1 A 48 48 PRO CB C 43 30.880 30.891 -0.011 1
1 432 . 24 1 1 A 49 49 GLY H H 44 8.020 8.106 -0.086 1
1 433 . 24 1 1 A 49 49 GLY HA2 H 44 3.770 4.038 -0.268 1
1 434 . 24 1 1 A 49 49 GLY HA3 H 44 3.770 4.045 -0.275 1
1 435 . 24 1 1 A 49 49 GLY CA C 44 44.770 45.650 -0.880 1
1 436 . 24 1 1 A 49 49 GLY N N 44 107.850 107.764 0.086 1
1 437 . 24 1 1 A 50 50 ARG H H 45 7.980 7.603 0.377 1
1 438 . 24 1 1 A 50 50 ARG HA H 45 4.280 4.539 -0.259 1
1 445 . 24 1 1 A 50 50 ARG CA C 45 55.730 54.871 0.859 1
1 446 . 24 1 1 A 50 50 ARG CB C 45 31.150 30.941 0.209 1
1 449 . 24 1 1 A 50 50 ARG N N 45 119.870 120.899 -1.029 1
1 450 . 24 1 1 A 51 51 ALA H H 46 8.340 8.529 -0.189 1
1 451 . 24 1 1 A 51 51 ALA HA H 46 4.330 3.960 0.370 1
1 455 . 24 1 1 A 51 51 ALA CA C 46 52.290 54.360 -2.070 1
1 456 . 24 1 1 A 51 51 ALA CB C 46 19.450 17.937 1.513 1
1 457 . 24 1 1 A 51 51 ALA N N 46 125.360 130.298 -4.938 1
1 458 . 24 1 1 A 52 52 SER H H 47 8.360 8.926 -0.566 1
1 459 . 24 1 1 A 52 52 SER HA H 47 4.730 4.556 0.174 1
1 462 . 24 1 1 A 52 52 SER CA C 47 56.520 62.667 -6.147 1
1 463 . 24 1 1 A 52 52 SER CB C 47 63.460 62.993 0.467 1
1 464 . 24 1 1 A 52 52 SER N N 47 117.200 115.090 2.110 1
1 465 . 24 1 1 A 53 53 PRO HA H 48 4.490 4.691 -0.201 1
1 472 . 24 1 1 A 53 53 PRO CA C 48 63.450 62.688 0.762 1
1 473 . 24 1 1 A 53 53 PRO CB C 48 32.280 31.662 0.618 1
1 476 . 24 1 1 A 54 54 SER H H 49 8.420 8.468 -0.048 1
1 477 . 24 1 1 A 54 54 SER HA H 49 4.440 5.237 -0.797 1
1 480 . 24 1 1 A 54 54 SER CA C 49 58.490 57.545 0.945 1
1 481 . 24 1 1 A 54 54 SER CB C 49 63.990 65.425 -1.435 1
1 482 . 24 1 1 A 54 54 SER N N 49 116.680 113.839 2.841 1
1 8 . 25 1 1 A 7 7 SER H H 2 8.110 8.677 -0.567 1
1 9 . 25 1 1 A 7 7 SER HA H 2 4.360 5.174 -0.814 1
1 12 . 25 1 1 A 7 7 SER CA C 2 58.690 57.379 1.311 1
1 13 . 25 1 1 A 7 7 SER CB C 2 63.740 66.341 -2.601 1
1 14 . 25 1 1 A 7 7 SER N N 2 115.530 115.095 0.435 1
1 15 . 25 1 1 A 8 8 PHE H H 3 8.100 8.602 -0.502 1
1 16 . 25 1 1 A 8 8 PHE HA H 3 4.580 3.961 0.619 1
1 21 . 25 1 1 A 8 8 PHE CA C 3 57.940 59.022 -1.082 1
1 22 . 25 1 1 A 8 8 PHE CB C 3 39.440 35.787 3.653 1
1 23 . 25 1 1 A 8 8 PHE N N 3 121.690 117.025 4.665 1
1 24 . 25 1 1 A 9 9 TRP H H 4 7.960 8.371 -0.411 1
1 25 . 25 1 1 A 9 9 TRP HA H 4 4.580 4.633 -0.053 1
1 33 . 25 1 1 A 9 9 TRP CA C 4 57.320 60.259 -2.939 1
1 34 . 25 1 1 A 9 9 TRP CB C 4 29.740 28.323 1.417 1
1 35 . 25 1 1 A 9 9 TRP N N 4 122.750 118.885 3.865 1
1 36 . 25 1 1 A 10 10 ASN H H 5 7.960 6.719 1.241 1
1 37 . 25 1 1 A 10 10 ASN HA H 5 4.770 3.970 0.800 1
1 42 . 25 1 1 A 10 10 ASN CA C 5 50.520 51.336 -0.816 1
1 43 . 25 1 1 A 10 10 ASN CB C 5 39.570 37.865 1.705 1
1 44 . 25 1 1 A 10 10 ASN N N 5 122.600 120.078 2.522 1
1 46 . 25 1 1 A 11 11 PRO HA H 6 4.090 4.556 -0.466 1
1 53 . 25 1 1 A 11 11 PRO CA C 6 63.660 64.316 -0.656 1
1 54 . 25 1 1 A 11 11 PRO CB C 6 32.160 32.013 0.147 1
1 57 . 25 1 1 A 12 12 ASN H H 7 8.100 8.222 -0.122 1
1 58 . 25 1 1 A 12 12 ASN HA H 7 4.640 4.991 -0.351 1
1 63 . 25 1 1 A 12 12 ASN CA C 7 53.330 51.988 1.342 1
1 64 . 25 1 1 A 12 12 ASN CB C 7 38.910 38.522 0.388 1
1 65 . 25 1 1 A 12 12 ASN N N 7 116.820 115.421 1.399 1
1 67 . 25 1 1 A 13 13 ALA H H 8 7.760 8.065 -0.305 1
1 68 . 25 1 1 A 13 13 ALA HA H 8 4.190 4.131 0.059 1
1 72 . 25 1 1 A 13 13 ALA CA C 8 52.840 54.868 -2.028 1
1 73 . 25 1 1 A 13 13 ALA CB C 8 19.240 18.864 0.376 1
1 74 . 25 1 1 A 13 13 ALA N N 8 123.280 125.156 -1.876 1
1 75 . 25 1 1 A 14 14 PHE H H 9 7.980 7.789 0.191 1
1 76 . 25 1 1 A 14 14 PHE HA H 9 4.680 4.398 0.282 1
1 81 . 25 1 1 A 14 14 PHE CA C 9 57.310 59.726 -2.416 1
1 82 . 25 1 1 A 14 14 PHE CB C 9 39.790 39.632 0.158 1
1 83 . 25 1 1 A 14 14 PHE N N 9 118.120 120.595 -2.475 1
1 84 . 25 1 1 A 15 15 GLU H H 10 8.340 8.508 -0.168 1
1 85 . 25 1 1 A 15 15 GLU HA H 10 4.410 4.526 -0.116 1
1 90 . 25 1 1 A 15 15 GLU CA C 10 56.550 55.430 1.120 1
1 91 . 25 1 1 A 15 15 GLU CB C 10 30.750 32.688 -1.938 1
1 93 . 25 1 1 A 15 15 GLU N N 10 122.120 126.508 -4.388 1
1 94 . 25 1 1 A 16 16 THR H H 11 8.230 8.520 -0.290 1
1 95 . 25 1 1 A 16 16 THR HA H 11 4.380 4.435 -0.055 1
1 100 . 25 1 1 A 16 16 THR CA C 11 61.900 61.140 0.760 1
1 101 . 25 1 1 A 16 16 THR CB C 11 69.890 69.376 0.514 1
1 103 . 25 1 1 A 16 16 THR N N 11 114.830 115.820 -0.990 1
1 104 . 25 1 1 A 17 17 ASP H H 12 8.480 8.190 0.290 1
1 105 . 25 1 1 A 17 17 ASP HA H 12 4.710 4.359 0.351 1
1 108 . 25 1 1 A 17 17 ASP CA C 12 54.650 54.795 -0.145 1
1 109 . 25 1 1 A 17 17 ASP CB C 12 41.480 42.417 -0.937 1
1 110 . 25 1 1 A 17 17 ASP N N 12 122.650 122.779 -0.129 1
1 111 . 25 1 1 A 18 18 SER H H 13 8.330 8.511 -0.181 1
1 112 . 25 1 1 A 18 18 SER HA H 13 4.430 4.301 0.129 1
1 115 . 25 1 1 A 18 18 SER CA C 13 59.130 59.922 -0.792 1
1 116 . 25 1 1 A 18 18 SER CB C 13 63.900 63.504 0.396 1
1 117 . 25 1 1 A 18 18 SER N N 13 116.280 117.839 -1.559 1
1 118 . 25 1 1 A 19 19 ASP H H 14 8.560 7.626 0.934 1
1 119 . 25 1 1 A 19 19 ASP HA H 14 4.630 4.923 -0.293 1
1 122 . 25 1 1 A 19 19 ASP CA C 14 54.300 53.068 1.232 1
1 123 . 25 1 1 A 19 19 ASP CB C 14 40.820 40.712 0.108 1
1 124 . 25 1 1 A 19 19 ASP N N 14 121.330 118.071 3.259 1
1 125 . 25 1 1 A 20 20 LEU H H 15 7.990 8.103 -0.113 1
1 126 . 25 1 1 A 20 20 LEU HA H 15 4.630 4.601 0.029 1
1 136 . 25 1 1 A 20 20 LEU CA C 15 52.640 52.730 -0.090 1
1 137 . 25 1 1 A 20 20 LEU CB C 15 42.530 41.464 1.066 1
1 141 . 25 1 1 A 20 20 LEU N N 15 121.650 121.885 -0.235 1
1 142 . 25 1 1 A 21 21 PRO HA H 16 4.570 4.649 -0.079 1
1 149 . 25 1 1 A 21 21 PRO CA C 16 62.080 62.353 -0.273 1
1 150 . 25 1 1 A 21 21 PRO CB C 16 31.760 33.296 -1.536 1
1 153 . 25 1 1 A 22 22 ALA H H 17 8.410 8.343 0.067 1
1 154 . 25 1 1 A 22 22 ALA HA H 17 4.210 4.618 -0.408 1
1 158 . 25 1 1 A 22 22 ALA CA C 17 53.950 52.443 1.507 1
1 159 . 25 1 1 A 22 22 ALA CB C 17 18.650 19.836 -1.186 1
1 160 . 25 1 1 A 22 22 ALA N N 17 122.940 122.725 0.215 1
1 161 . 25 1 1 A 23 23 GLY H H 18 8.710 8.747 -0.037 1
1 162 . 25 1 1 A 23 23 GLY HA2 H 18 3.460 3.860 -0.400 1
1 163 . 25 1 1 A 23 23 GLY HA3 H 18 3.890 3.909 -0.019 1
1 164 . 25 1 1 A 23 23 GLY CA C 18 45.110 45.220 -0.110 1
1 165 . 25 1 1 A 23 23 GLY N N 18 110.320 110.501 -0.181 1
1 166 . 25 1 1 A 24 24 TRP H H 19 7.810 7.957 -0.147 1
1 167 . 25 1 1 A 24 24 TRP HA H 19 5.520 5.137 0.383 1
1 175 . 25 1 1 A 24 24 TRP CA C 19 57.020 56.242 0.778 1
1 176 . 25 1 1 A 24 24 TRP CB C 19 32.270 32.950 -0.680 1
1 177 . 25 1 1 A 24 24 TRP N N 19 118.390 120.459 -2.069 1
1 178 . 25 1 1 A 25 25 MET H H 20 9.570 9.109 0.461 1
1 179 . 25 1 1 A 25 25 MET HA H 20 4.940 5.379 -0.439 1
1 184 . 25 1 1 A 25 25 MET CA C 20 54.390 54.122 0.268 1
1 185 . 25 1 1 A 25 25 MET CB C 20 37.220 36.833 0.387 1
1 187 . 25 1 1 A 25 25 MET N N 20 119.380 121.340 -1.960 1
1 188 . 25 1 1 A 26 26 ARG H H 21 8.880 8.722 0.158 1
1 189 . 25 1 1 A 26 26 ARG HA H 21 4.490 4.594 -0.104 1
1 196 . 25 1 1 A 26 26 ARG CA C 21 55.570 54.385 1.185 1
1 197 . 25 1 1 A 26 26 ARG CB C 21 31.880 32.266 -0.386 1
1 200 . 25 1 1 A 26 26 ARG N N 21 124.980 123.068 1.912 1
1 201 . 25 1 1 A 27 27 VAL H H 22 8.860 8.202 0.658 1
1 202 . 25 1 1 A 27 27 VAL HA H 22 3.960 4.724 -0.764 1
1 210 . 25 1 1 A 27 27 VAL CA C 22 61.320 59.991 1.329 1
1 211 . 25 1 1 A 27 27 VAL CB C 22 33.470 33.955 -0.485 1
1 214 . 25 1 1 A 27 27 VAL N N 22 128.370 126.217 2.153 1
1 215 . 25 1 1 A 28 28 GLN H H 23 8.230 8.558 -0.328 1
1 216 . 25 1 1 A 28 28 GLN HA H 23 4.980 4.694 0.286 1
1 223 . 25 1 1 A 28 28 GLN CA C 23 54.520 54.266 0.254 1
1 224 . 25 1 1 A 28 28 GLN CB C 23 30.560 29.218 1.342 1
1 226 . 25 1 1 A 28 28 GLN N N 23 123.980 124.670 -0.690 1
1 228 . 25 1 1 A 29 29 ASP H H 24 8.710 8.509 0.201 1
1 229 . 25 1 1 A 29 29 ASP HA H 24 4.900 4.941 -0.041 1
1 232 . 25 1 1 A 29 29 ASP CA C 24 53.040 54.188 -1.148 1
1 233 . 25 1 1 A 29 29 ASP CB C 24 42.730 42.291 0.439 1
1 234 . 25 1 1 A 29 29 ASP N N 24 126.160 126.225 -0.065 1
1 235 . 25 1 1 A 30 30 THR H H 25 8.250 8.909 -0.659 1
1 236 . 25 1 1 A 30 30 THR HA H 25 4.120 3.968 0.152 1
1 241 . 25 1 1 A 30 30 THR CA C 25 65.160 66.171 -1.011 1
1 242 . 25 1 1 A 30 30 THR CB C 25 68.870 68.317 0.553 1
1 244 . 25 1 1 A 30 30 THR N N 25 112.460 117.941 -5.481 1
1 245 . 25 1 1 A 31 31 SER H H 26 8.940 8.088 0.852 1
1 246 . 25 1 1 A 31 31 SER HA H 26 4.560 4.351 0.209 1
1 249 . 25 1 1 A 31 31 SER CA C 26 59.690 61.058 -1.368 1
1 250 . 25 1 1 A 31 31 SER CB C 26 64.170 63.649 0.521 1
1 251 . 25 1 1 A 31 31 SER N N 26 117.280 117.149 0.131 1
1 252 . 25 1 1 A 32 32 GLY H H 27 7.890 7.440 0.450 1
1 253 . 25 1 1 A 32 32 GLY HA2 H 27 3.950 4.155 -0.205 1
1 254 . 25 1 1 A 32 32 GLY HA3 H 27 4.760 4.324 0.436 1
1 255 . 25 1 1 A 32 32 GLY CA C 27 44.820 45.756 -0.936 1
1 256 . 25 1 1 A 32 32 GLY N N 27 110.950 107.113 3.837 1
1 257 . 25 1 1 A 33 33 THR H H 28 8.460 8.207 0.253 1
1 258 . 25 1 1 A 33 33 THR HA H 28 5.230 5.149 0.081 1
1 263 . 25 1 1 A 33 33 THR CA C 28 61.750 62.093 -0.343 1
1 264 . 25 1 1 A 33 33 THR CB C 28 70.530 69.236 1.294 1
1 266 . 25 1 1 A 33 33 THR N N 28 117.690 116.385 1.305 1
1 267 . 25 1 1 A 34 34 TYR H H 29 8.700 8.519 0.181 1
1 268 . 25 1 1 A 34 34 TYR HA H 29 4.670 5.147 -0.477 1
1 275 . 25 1 1 A 34 34 TYR CA C 29 55.500 55.269 0.231 1
1 276 . 25 1 1 A 34 34 TYR CB C 29 38.140 41.521 -3.381 1
1 277 . 25 1 1 A 34 34 TYR N N 29 123.420 124.796 -1.376 1
1 278 . 25 1 1 A 35 35 TYR H H 30 8.920 9.166 -0.246 1
1 279 . 25 1 1 A 35 35 TYR HA H 30 5.330 5.743 -0.413 1
1 286 . 25 1 1 A 35 35 TYR CA C 30 57.550 56.703 0.847 1
1 287 . 25 1 1 A 35 35 TYR CB C 30 41.270 42.124 -0.854 1
1 288 . 25 1 1 A 35 35 TYR N N 30 116.920 116.374 0.546 1
1 289 . 25 1 1 A 36 36 TRP H H 31 9.580 8.940 0.640 1
1 290 . 25 1 1 A 36 36 TRP HA H 31 5.740 5.573 0.167 1
1 299 . 25 1 1 A 36 36 TRP CA C 31 54.290 55.997 -1.707 1
1 300 . 25 1 1 A 36 36 TRP CB C 31 33.420 31.836 1.584 1
1 301 . 25 1 1 A 36 36 TRP N N 31 126.100 125.419 0.681 1
1 303 . 25 1 1 A 37 37 HIS H H 32 8.950 9.183 -0.233 1
1 304 . 25 1 1 A 37 37 HIS HA H 32 3.940 4.085 -0.145 1
1 309 . 25 1 1 A 37 37 HIS CA C 32 55.050 54.495 0.555 1
1 310 . 25 1 1 A 37 37 HIS CB C 32 29.110 29.570 -0.460 1
1 311 . 25 1 1 A 37 37 HIS N N 32 130.940 127.560 3.380 1
1 312 . 25 1 1 A 38 38 ILE H H 33 8.130 7.934 0.196 1
1 313 . 25 1 1 A 38 38 ILE HA H 33 2.920 3.197 -0.277 1
1 323 . 25 1 1 A 38 38 ILE CA C 33 65.700 65.943 -0.243 1
1 324 . 25 1 1 A 38 38 ILE CB C 33 35.350 35.034 0.316 1
1 328 . 25 1 1 A 38 38 ILE N N 33 127.650 126.752 0.898 1
1 329 . 25 1 1 A 39 39 PRO HA H 34 4.120 4.118 0.002 1
1 336 . 25 1 1 A 39 39 PRO CA C 34 65.700 66.199 -0.499 1
1 337 . 25 1 1 A 39 39 PRO CB C 34 32.150 30.574 1.576 1
1 340 . 25 1 1 A 40 40 THR H H 35 6.470 7.043 -0.573 1
1 341 . 25 1 1 A 40 40 THR HA H 35 4.510 4.152 0.358 1
1 346 . 25 1 1 A 40 40 THR CA C 35 61.240 62.259 -1.019 1
1 347 . 25 1 1 A 40 40 THR CB C 35 72.280 70.067 2.213 1
1 349 . 25 1 1 A 40 40 THR N N 35 100.770 109.076 -8.306 1
1 350 . 25 1 1 A 41 41 GLY H H 36 8.530 7.848 0.682 1
1 351 . 25 1 1 A 41 41 GLY HA2 H 36 3.660 4.023 -0.363 1
1 352 . 25 1 1 A 41 41 GLY HA3 H 36 4.210 4.174 0.036 1
1 353 . 25 1 1 A 41 41 GLY CA C 36 46.220 45.257 0.963 1
1 354 . 25 1 1 A 41 41 GLY N N 36 113.280 111.207 2.073 1
1 355 . 25 1 1 A 42 42 THR H H 37 7.460 7.674 -0.214 1
1 356 . 25 1 1 A 42 42 THR HA H 37 4.260 4.426 -0.166 1
1 361 . 25 1 1 A 42 42 THR CA C 37 63.660 62.999 0.661 1
1 362 . 25 1 1 A 42 42 THR CB C 37 69.960 69.836 0.124 1
1 364 . 25 1 1 A 42 42 THR N N 37 115.720 117.068 -1.348 1
1 365 . 25 1 1 A 43 43 THR H H 38 8.420 8.661 -0.241 1
1 366 . 25 1 1 A 43 43 THR HA H 38 5.920 5.799 0.121 1
1 371 . 25 1 1 A 43 43 THR CA C 38 59.560 59.691 -0.131 1
1 372 . 25 1 1 A 43 43 THR CB C 38 72.140 72.159 -0.019 1
1 374 . 25 1 1 A 43 43 THR N N 38 116.010 115.166 0.844 1
1 375 . 25 1 1 A 44 44 GLN H H 39 9.180 8.837 0.343 1
1 376 . 25 1 1 A 44 44 GLN HA H 39 4.930 5.056 -0.126 1
1 383 . 25 1 1 A 44 44 GLN CA C 39 54.890 54.628 0.262 1
1 384 . 25 1 1 A 44 44 GLN CB C 39 32.550 30.689 1.861 1
1 386 . 25 1 1 A 44 44 GLN N N 39 116.860 120.230 -3.370 1
1 388 . 25 1 1 A 45 45 TRP H H 40 8.890 8.700 0.190 1
1 389 . 25 1 1 A 45 45 TRP HA H 40 4.820 5.139 -0.319 1
1 397 . 25 1 1 A 45 45 TRP CA C 40 59.410 58.621 0.789 1
1 398 . 25 1 1 A 45 45 TRP CB C 40 30.270 31.846 -1.576 1
1 399 . 25 1 1 A 45 45 TRP N N 40 121.200 122.333 -1.133 1
1 400 . 25 1 1 A 46 46 GLU H H 41 7.970 8.148 -0.178 1
1 401 . 25 1 1 A 46 46 GLU HA H 41 4.720 4.594 0.126 1
1 406 . 25 1 1 A 46 46 GLU CA C 41 54.070 54.465 -0.395 1
1 407 . 25 1 1 A 46 46 GLU CB C 41 29.640 28.825 0.815 1
1 409 . 25 1 1 A 46 46 GLU N N 41 119.500 118.562 0.938 1
1 410 . 25 1 1 A 47 47 PRO HA H 42 2.900 3.763 -0.863 1
1 417 . 25 1 1 A 47 47 PRO CA C 42 60.700 61.740 -1.040 1
1 418 . 25 1 1 A 47 47 PRO CB C 42 29.760 31.506 -1.746 1
1 421 . 25 1 1 A 48 48 PRO HA H 43 3.770 4.335 -0.565 1
1 428 . 25 1 1 A 48 48 PRO CA C 43 61.890 62.837 -0.947 1
1 429 . 25 1 1 A 48 48 PRO CB C 43 30.880 29.850 1.030 1
1 432 . 25 1 1 A 49 49 GLY H H 44 8.020 7.650 0.370 1
1 433 . 25 1 1 A 49 49 GLY HA2 H 44 3.770 4.082 -0.312 1
1 434 . 25 1 1 A 49 49 GLY HA3 H 44 3.770 4.098 -0.328 1
1 435 . 25 1 1 A 49 49 GLY CA C 44 44.770 44.387 0.383 1
1 436 . 25 1 1 A 49 49 GLY N N 44 107.850 111.241 -3.391 1
1 437 . 25 1 1 A 50 50 ARG H H 45 7.980 8.774 -0.794 1
1 438 . 25 1 1 A 50 50 ARG HA H 45 4.280 4.339 -0.059 1
1 445 . 25 1 1 A 50 50 ARG CA C 45 55.730 58.379 -2.649 1
1 446 . 25 1 1 A 50 50 ARG CB C 45 31.150 30.816 0.334 1
1 449 . 25 1 1 A 50 50 ARG N N 45 119.870 120.499 -0.629 1
1 450 . 25 1 1 A 51 51 ALA H H 46 8.340 7.620 0.720 1
1 451 . 25 1 1 A 51 51 ALA HA H 46 4.330 4.447 -0.117 1
1 455 . 25 1 1 A 51 51 ALA CA C 46 52.290 53.520 -1.230 1
1 456 . 25 1 1 A 51 51 ALA CB C 46 19.450 21.108 -1.658 1
1 457 . 25 1 1 A 51 51 ALA N N 46 125.360 118.420 6.940 1
1 458 . 25 1 1 A 52 52 SER H H 47 8.360 7.926 0.434 1
1 459 . 25 1 1 A 52 52 SER HA H 47 4.730 4.811 -0.081 1
1 462 . 25 1 1 A 52 52 SER CA C 47 56.520 56.139 0.381 1
1 463 . 25 1 1 A 52 52 SER CB C 47 63.460 65.138 -1.678 1
1 464 . 25 1 1 A 52 52 SER N N 47 117.200 109.329 7.871 1
1 465 . 25 1 1 A 53 53 PRO HA H 48 4.490 4.530 -0.040 1
1 472 . 25 1 1 A 53 53 PRO CA C 48 63.450 62.631 0.819 1
1 473 . 25 1 1 A 53 53 PRO CB C 48 32.280 29.879 2.401 1
1 476 . 25 1 1 A 54 54 SER H H 49 8.420 8.338 0.082 1
1 477 . 25 1 1 A 54 54 SER HA H 49 4.440 4.204 0.236 1
1 480 . 25 1 1 A 54 54 SER CA C 49 58.490 59.701 -1.211 1
1 481 . 25 1 1 A 54 54 SER CB C 49 63.990 62.492 1.498 1
1 482 . 25 1 1 A 54 54 SER N N 49 116.680 118.259 -1.579 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 48 1.089 1
3 1 1 1 "RMS(OBS, PRED)" CB 44 1.176 1
4 1 1 1 "RMS(OBS, PRED)" H 42 0.477 1
5 1 1 1 "RMS(OBS, PRED)" HA 52 0.341 1
6 1 1 1 "RMS(OBS, PRED)" N 42 3.360 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 48 0.993 1
9 1 2 1 "RMS(OBS, PRED)" CB 44 1.175 1
10 1 2 1 "RMS(OBS, PRED)" H 42 0.462 1
11 1 2 1 "RMS(OBS, PRED)" HA 52 0.281 1
12 1 2 1 "RMS(OBS, PRED)" N 42 2.715 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 48 1.402 1
15 1 3 1 "RMS(OBS, PRED)" CB 44 1.271 1
16 1 3 1 "RMS(OBS, PRED)" H 42 0.443 1
17 1 3 1 "RMS(OBS, PRED)" HA 52 0.392 1
18 1 3 1 "RMS(OBS, PRED)" N 42 3.029 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 48 1.169 1
21 1 4 1 "RMS(OBS, PRED)" CB 44 1.381 1
22 1 4 1 "RMS(OBS, PRED)" H 42 0.444 1
23 1 4 1 "RMS(OBS, PRED)" HA 52 0.299 1
24 1 4 1 "RMS(OBS, PRED)" N 42 2.670 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 48 0.955 1
27 1 5 1 "RMS(OBS, PRED)" CB 44 1.334 1
28 1 5 1 "RMS(OBS, PRED)" H 42 0.494 1
29 1 5 1 "RMS(OBS, PRED)" HA 52 0.338 1
30 1 5 1 "RMS(OBS, PRED)" N 42 2.819 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 48 0.959 1
33 1 6 1 "RMS(OBS, PRED)" CB 44 1.240 1
34 1 6 1 "RMS(OBS, PRED)" H 42 0.426 1
35 1 6 1 "RMS(OBS, PRED)" HA 52 0.343 1
36 1 6 1 "RMS(OBS, PRED)" N 42 2.876 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 48 1.191 1
39 1 7 1 "RMS(OBS, PRED)" CB 44 1.238 1
40 1 7 1 "RMS(OBS, PRED)" H 42 0.471 1
41 1 7 1 "RMS(OBS, PRED)" HA 52 0.329 1
42 1 7 1 "RMS(OBS, PRED)" N 42 2.735 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 48 1.104 1
45 1 8 1 "RMS(OBS, PRED)" CB 44 1.314 1
46 1 8 1 "RMS(OBS, PRED)" H 42 0.451 1
47 1 8 1 "RMS(OBS, PRED)" HA 52 0.316 1
48 1 8 1 "RMS(OBS, PRED)" N 42 3.302 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 48 1.147 1
51 1 9 1 "RMS(OBS, PRED)" CB 44 1.215 1
52 1 9 1 "RMS(OBS, PRED)" H 42 0.486 1
53 1 9 1 "RMS(OBS, PRED)" HA 52 0.413 1
54 1 9 1 "RMS(OBS, PRED)" N 42 2.629 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 48 1.022 1
57 1 10 1 "RMS(OBS, PRED)" CB 44 1.304 1
58 1 10 1 "RMS(OBS, PRED)" H 42 0.445 1
59 1 10 1 "RMS(OBS, PRED)" HA 52 0.350 1
60 1 10 1 "RMS(OBS, PRED)" N 42 3.235 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 48 1.102 1
63 1 11 1 "RMS(OBS, PRED)" CB 44 1.197 1
64 1 11 1 "RMS(OBS, PRED)" H 42 0.469 1
65 1 11 1 "RMS(OBS, PRED)" HA 52 0.358 1
66 1 11 1 "RMS(OBS, PRED)" N 42 3.050 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 48 1.187 1
69 1 12 1 "RMS(OBS, PRED)" CB 44 1.321 1
70 1 12 1 "RMS(OBS, PRED)" H 42 0.466 1
71 1 12 1 "RMS(OBS, PRED)" HA 52 0.310 1
72 1 12 1 "RMS(OBS, PRED)" N 42 2.711 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 48 1.489 1
75 1 13 1 "RMS(OBS, PRED)" CB 44 1.403 1
76 1 13 1 "RMS(OBS, PRED)" H 42 0.493 1
77 1 13 1 "RMS(OBS, PRED)" HA 52 0.330 1
78 1 13 1 "RMS(OBS, PRED)" N 42 2.868 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 48 1.451 1
81 1 14 1 "RMS(OBS, PRED)" CB 44 1.268 1
82 1 14 1 "RMS(OBS, PRED)" H 42 0.523 1
83 1 14 1 "RMS(OBS, PRED)" HA 52 0.297 1
84 1 14 1 "RMS(OBS, PRED)" N 42 3.329 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 48 1.030 1
87 1 15 1 "RMS(OBS, PRED)" CB 44 1.352 1
88 1 15 1 "RMS(OBS, PRED)" H 42 0.448 1
89 1 15 1 "RMS(OBS, PRED)" HA 52 0.341 1
90 1 15 1 "RMS(OBS, PRED)" N 42 3.238 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 48 1.241 1
93 1 16 1 "RMS(OBS, PRED)" CB 44 1.349 1
94 1 16 1 "RMS(OBS, PRED)" H 42 0.492 1
95 1 16 1 "RMS(OBS, PRED)" HA 52 0.364 1
96 1 16 1 "RMS(OBS, PRED)" N 42 2.968 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 48 1.217 1
99 1 17 1 "RMS(OBS, PRED)" CB 44 1.239 1
100 1 17 1 "RMS(OBS, PRED)" H 42 0.507 1
101 1 17 1 "RMS(OBS, PRED)" HA 52 0.353 1
102 1 17 1 "RMS(OBS, PRED)" N 42 2.643 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 48 1.493 1
105 1 18 1 "RMS(OBS, PRED)" CB 44 1.427 1
106 1 18 1 "RMS(OBS, PRED)" H 42 0.437 1
107 1 18 1 "RMS(OBS, PRED)" HA 52 0.331 1
108 1 18 1 "RMS(OBS, PRED)" N 42 2.645 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 48 1.011 1
111 1 19 1 "RMS(OBS, PRED)" CB 44 1.300 1
112 1 19 1 "RMS(OBS, PRED)" H 42 0.444 1
113 1 19 1 "RMS(OBS, PRED)" HA 52 0.352 1
114 1 19 1 "RMS(OBS, PRED)" N 42 2.744 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 48 1.030 1
117 1 20 1 "RMS(OBS, PRED)" CB 44 1.081 1
118 1 20 1 "RMS(OBS, PRED)" H 42 0.399 1
119 1 20 1 "RMS(OBS, PRED)" HA 52 0.285 1
120 1 20 1 "RMS(OBS, PRED)" N 42 2.459 1
121 1 21 1 "RMS(OBS, PRED)" C 0 0.000 1
122 1 21 1 "RMS(OBS, PRED)" CA 48 1.222 1
123 1 21 1 "RMS(OBS, PRED)" CB 44 1.419 1
124 1 21 1 "RMS(OBS, PRED)" H 42 0.463 1
125 1 21 1 "RMS(OBS, PRED)" HA 52 0.372 1
126 1 21 1 "RMS(OBS, PRED)" N 42 2.839 1
127 1 22 1 "RMS(OBS, PRED)" C 0 0.000 1
128 1 22 1 "RMS(OBS, PRED)" CA 48 1.189 1
129 1 22 1 "RMS(OBS, PRED)" CB 44 1.177 1
130 1 22 1 "RMS(OBS, PRED)" H 42 0.469 1
131 1 22 1 "RMS(OBS, PRED)" HA 52 0.383 1
132 1 22 1 "RMS(OBS, PRED)" N 42 2.590 1
133 1 23 1 "RMS(OBS, PRED)" C 0 0.000 1
134 1 23 1 "RMS(OBS, PRED)" CA 48 1.057 1
135 1 23 1 "RMS(OBS, PRED)" CB 44 1.225 1
136 1 23 1 "RMS(OBS, PRED)" H 42 0.462 1
137 1 23 1 "RMS(OBS, PRED)" HA 52 0.306 1
138 1 23 1 "RMS(OBS, PRED)" N 42 2.803 1
139 1 24 1 "RMS(OBS, PRED)" C 0 0.000 1
140 1 24 1 "RMS(OBS, PRED)" CA 48 1.485 1
141 1 24 1 "RMS(OBS, PRED)" CB 44 1.069 1
142 1 24 1 "RMS(OBS, PRED)" H 42 0.445 1
143 1 24 1 "RMS(OBS, PRED)" HA 52 0.400 1
144 1 24 1 "RMS(OBS, PRED)" N 42 2.703 1
145 1 25 1 "RMS(OBS, PRED)" C 0 0.000 1
146 1 25 1 "RMS(OBS, PRED)" CA 48 1.133 1
147 1 25 1 "RMS(OBS, PRED)" CB 44 1.425 1
148 1 25 1 "RMS(OBS, PRED)" H 42 0.468 1
149 1 25 1 "RMS(OBS, PRED)" HA 52 0.352 1
150 1 25 1 "RMS(OBS, PRED)" N 42 3.046 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 8 . 1 1 A 7 7 SER H H 2 8.110 8.447 -0.337 2
1 9 . 1 1 A 7 7 SER HA H 2 4.360 4.651 -0.291 2
1 12 . 1 1 A 7 7 SER CA C 2 58.690 58.025 0.665 2
1 13 . 1 1 A 7 7 SER CB C 2 63.740 64.165 -0.425 2
1 14 . 1 1 A 7 7 SER N N 2 115.530 115.183 0.347 2
1 15 . 1 1 A 8 8 PHE H H 3 8.100 8.596 -0.496 2
1 16 . 1 1 A 8 8 PHE HA H 3 4.580 4.604 -0.024 2
1 21 . 1 1 A 8 8 PHE CA C 3 57.940 58.639 -0.699 2
1 22 . 1 1 A 8 8 PHE CB C 3 39.440 39.521 -0.081 2
1 23 . 1 1 A 8 8 PHE N N 3 121.690 121.840 -0.150 2
1 24 . 1 1 A 9 9 TRP H H 4 7.960 8.088 -0.128 2
1 25 . 1 1 A 9 9 TRP HA H 4 4.580 4.553 0.027 2
1 33 . 1 1 A 9 9 TRP CA C 4 57.320 58.544 -1.224 2
1 34 . 1 1 A 9 9 TRP CB C 4 29.740 29.714 0.026 2
1 35 . 1 1 A 9 9 TRP N N 4 122.750 120.654 2.096 2
1 36 . 1 1 A 10 10 ASN H H 5 7.960 8.216 -0.256 2
1 37 . 1 1 A 10 10 ASN HA H 5 4.770 4.936 -0.166 2
1 42 . 1 1 A 10 10 ASN CA C 5 50.520 50.765 -0.245 2
1 43 . 1 1 A 10 10 ASN CB C 5 39.570 39.024 0.546 2
1 44 . 1 1 A 10 10 ASN N N 5 122.600 120.466 2.134 2
1 46 . 1 1 A 11 11 PRO HA H 6 4.090 4.457 -0.367 2
1 53 . 1 1 A 11 11 PRO CA C 6 63.660 64.730 -1.070 2
1 54 . 1 1 A 11 11 PRO CB C 6 32.160 31.944 0.216 2
1 57 . 1 1 A 12 12 ASN H H 7 8.100 8.265 -0.165 2
1 58 . 1 1 A 12 12 ASN HA H 7 4.640 4.773 -0.133 2
1 63 . 1 1 A 12 12 ASN CA C 7 53.330 53.893 -0.563 2
1 64 . 1 1 A 12 12 ASN CB C 7 38.910 38.771 0.139 2
1 65 . 1 1 A 12 12 ASN N N 7 116.820 115.551 1.269 2
1 67 . 1 1 A 13 13 ALA H H 8 7.760 7.812 -0.052 2
1 68 . 1 1 A 13 13 ALA HA H 8 4.190 4.256 -0.066 2
1 72 . 1 1 A 13 13 ALA CA C 8 52.840 52.632 0.208 2
1 73 . 1 1 A 13 13 ALA CB C 8 19.240 19.042 0.198 2
1 74 . 1 1 A 13 13 ALA N N 8 123.280 121.697 1.583 2
1 75 . 1 1 A 14 14 PHE H H 9 7.980 8.307 -0.327 2
1 76 . 1 1 A 14 14 PHE HA H 9 4.680 4.640 0.040 2
1 81 . 1 1 A 14 14 PHE CA C 9 57.310 57.907 -0.597 2
1 82 . 1 1 A 14 14 PHE CB C 9 39.790 39.306 0.484 2
1 83 . 1 1 A 14 14 PHE N N 9 118.120 118.364 -0.244 2
1 84 . 1 1 A 15 15 GLU H H 10 8.340 8.413 -0.073 2
1 85 . 1 1 A 15 15 GLU HA H 10 4.410 4.536 -0.126 2
1 90 . 1 1 A 15 15 GLU CA C 10 56.550 55.862 0.688 2
1 91 . 1 1 A 15 15 GLU CB C 10 30.750 31.314 -0.564 2
1 93 . 1 1 A 15 15 GLU N N 10 122.120 123.431 -1.311 2
1 94 . 1 1 A 16 16 THR H H 11 8.230 8.456 -0.226 2
1 95 . 1 1 A 16 16 THR HA H 11 4.380 4.559 -0.179 2
1 100 . 1 1 A 16 16 THR CA C 11 61.900 61.373 0.527 2
1 101 . 1 1 A 16 16 THR CB C 11 69.890 69.882 0.008 2
1 103 . 1 1 A 16 16 THR N N 11 114.830 115.975 -1.145 2
1 104 . 1 1 A 17 17 ASP H H 12 8.480 8.591 -0.111 2
1 105 . 1 1 A 17 17 ASP HA H 12 4.710 4.609 0.101 2
1 108 . 1 1 A 17 17 ASP CA C 12 54.650 54.108 0.542 2
1 109 . 1 1 A 17 17 ASP CB C 12 41.480 41.369 0.111 2
1 110 . 1 1 A 17 17 ASP N N 12 122.650 122.980 -0.330 2
1 111 . 1 1 A 18 18 SER H H 13 8.330 8.607 -0.277 2
1 112 . 1 1 A 18 18 SER HA H 13 4.430 4.464 -0.034 2
1 115 . 1 1 A 18 18 SER CA C 13 59.130 59.557 -0.427 2
1 116 . 1 1 A 18 18 SER CB C 13 63.900 63.461 0.439 2
1 117 . 1 1 A 18 18 SER N N 13 116.280 116.168 0.112 2
1 118 . 1 1 A 19 19 ASP H H 14 8.560 8.060 0.500 2
1 119 . 1 1 A 19 19 ASP HA H 14 4.630 4.734 -0.104 2
1 122 . 1 1 A 19 19 ASP CA C 14 54.300 53.656 0.644 2
1 123 . 1 1 A 19 19 ASP CB C 14 40.820 40.878 -0.058 2
1 124 . 1 1 A 19 19 ASP N N 14 121.330 118.742 2.588 2
1 125 . 1 1 A 20 20 LEU H H 15 7.990 7.876 0.114 2
1 126 . 1 1 A 20 20 LEU HA H 15 4.630 4.502 0.128 2
1 136 . 1 1 A 20 20 LEU CA C 15 52.640 52.932 -0.292 2
1 137 . 1 1 A 20 20 LEU CB C 15 42.530 41.205 1.325 2
1 141 . 1 1 A 20 20 LEU N N 15 121.650 122.447 -0.797 2
1 142 . 1 1 A 21 21 PRO HA H 16 4.570 4.617 -0.047 2
1 149 . 1 1 A 21 21 PRO CA C 16 62.080 62.309 -0.229 2
1 150 . 1 1 A 21 21 PRO CB C 16 31.760 33.166 -1.406 2
1 153 . 1 1 A 22 22 ALA H H 17 8.410 8.315 0.095 2
1 154 . 1 1 A 22 22 ALA HA H 17 4.210 4.412 -0.202 2
1 158 . 1 1 A 22 22 ALA CA C 17 53.950 52.821 1.129 2
1 159 . 1 1 A 22 22 ALA CB C 17 18.650 19.433 -0.783 2
1 160 . 1 1 A 22 22 ALA N N 17 122.940 123.228 -0.288 2
1 161 . 1 1 A 23 23 GLY H H 18 8.710 8.764 -0.054 2
1 162 . 1 1 A 23 23 GLY HA2 H 18 3.460 3.825 -0.365 2
1 163 . 1 1 A 23 23 GLY HA3 H 18 3.890 3.863 0.027 2
1 164 . 1 1 A 23 23 GLY CA C 18 45.110 45.157 -0.047 2
1 165 . 1 1 A 23 23 GLY N N 18 110.320 110.272 0.048 2
1 166 . 1 1 A 24 24 TRP H H 19 7.810 7.910 -0.100 2
1 167 . 1 1 A 24 24 TRP HA H 19 5.520 5.017 0.503 2
1 175 . 1 1 A 24 24 TRP CA C 19 57.020 56.480 0.540 2
1 176 . 1 1 A 24 24 TRP CB C 19 32.270 32.165 0.105 2
1 177 . 1 1 A 24 24 TRP N N 19 118.390 120.620 -2.230 2
1 178 . 1 1 A 25 25 MET H H 20 9.570 9.065 0.505 2
1 179 . 1 1 A 25 25 MET HA H 20 4.940 5.303 -0.363 2
1 184 . 1 1 A 25 25 MET CA C 20 54.390 54.111 0.279 2
1 185 . 1 1 A 25 25 MET CB C 20 37.220 36.404 0.816 2
1 187 . 1 1 A 25 25 MET N N 20 119.380 122.093 -2.713 2
1 188 . 1 1 A 26 26 ARG H H 21 8.880 8.779 0.101 2
1 189 . 1 1 A 26 26 ARG HA H 21 4.490 4.863 -0.373 2
1 196 . 1 1 A 26 26 ARG CA C 21 55.570 54.604 0.966 2
1 197 . 1 1 A 26 26 ARG CB C 21 31.880 32.476 -0.596 2
1 200 . 1 1 A 26 26 ARG N N 21 124.980 123.349 1.631 2
1 201 . 1 1 A 27 27 VAL H H 22 8.860 8.191 0.669 2
1 202 . 1 1 A 27 27 VAL HA H 22 3.960 4.735 -0.775 2
1 210 . 1 1 A 27 27 VAL CA C 22 61.320 59.991 1.329 2
1 211 . 1 1 A 27 27 VAL CB C 22 33.470 33.991 -0.521 2
1 214 . 1 1 A 27 27 VAL N N 22 128.370 126.270 2.100 2
1 215 . 1 1 A 28 28 GLN H H 23 8.230 8.652 -0.422 2
1 216 . 1 1 A 28 28 GLN HA H 23 4.980 4.837 0.143 2
1 223 . 1 1 A 28 28 GLN CA C 23 54.520 54.347 0.173 2
1 224 . 1 1 A 28 28 GLN CB C 23 30.560 29.729 0.831 2
1 226 . 1 1 A 28 28 GLN N N 23 123.980 123.325 0.655 2
1 228 . 1 1 A 29 29 ASP H H 24 8.710 8.582 0.128 2
1 229 . 1 1 A 29 29 ASP HA H 24 4.900 4.940 -0.040 2
1 232 . 1 1 A 29 29 ASP CA C 24 53.040 53.635 -0.595 2
1 233 . 1 1 A 29 29 ASP CB C 24 42.730 42.585 0.145 2
1 234 . 1 1 A 29 29 ASP N N 24 126.160 126.311 -0.151 2
1 235 . 1 1 A 30 30 THR H H 25 8.250 8.795 -0.545 2
1 236 . 1 1 A 30 30 THR HA H 25 4.120 4.034 0.086 2
1 241 . 1 1 A 30 30 THR CA C 25 65.160 65.395 -0.235 2
1 242 . 1 1 A 30 30 THR CB C 25 68.870 68.496 0.374 2
1 244 . 1 1 A 30 30 THR N N 25 112.460 117.379 -4.919 2
1 245 . 1 1 A 31 31 SER H H 26 8.940 8.129 0.811 2
1 246 . 1 1 A 31 31 SER HA H 26 4.560 4.394 0.166 2
1 249 . 1 1 A 31 31 SER CA C 26 59.690 60.271 -0.581 2
1 250 . 1 1 A 31 31 SER CB C 26 64.170 63.947 0.223 2
1 251 . 1 1 A 31 31 SER N N 26 117.280 115.687 1.593 2
1 252 . 1 1 A 32 32 GLY H H 27 7.890 7.425 0.465 2
1 253 . 1 1 A 32 32 GLY HA2 H 27 3.950 4.161 -0.211 2
1 254 . 1 1 A 32 32 GLY HA3 H 27 4.760 4.260 0.500 2
1 255 . 1 1 A 32 32 GLY CA C 27 44.820 45.371 -0.551 2
1 256 . 1 1 A 32 32 GLY N N 27 110.950 106.800 4.150 2
1 257 . 1 1 A 33 33 THR H H 28 8.460 8.564 -0.104 2
1 258 . 1 1 A 33 33 THR HA H 28 5.230 5.089 0.141 2
1 263 . 1 1 A 33 33 THR CA C 28 61.750 63.007 -1.257 2
1 264 . 1 1 A 33 33 THR CB C 28 70.530 69.026 1.504 2
1 266 . 1 1 A 33 33 THR N N 28 117.690 116.382 1.308 2
1 267 . 1 1 A 34 34 TYR H H 29 8.700 8.478 0.222 2
1 268 . 1 1 A 34 34 TYR HA H 29 4.670 5.067 -0.397 2
1 275 . 1 1 A 34 34 TYR CA C 29 55.500 55.159 0.341 2
1 276 . 1 1 A 34 34 TYR CB C 29 38.140 40.766 -2.626 2
1 277 . 1 1 A 34 34 TYR N N 29 123.420 125.018 -1.598 2
1 278 . 1 1 A 35 35 TYR H H 30 8.920 8.727 0.193 2
1 279 . 1 1 A 35 35 TYR HA H 30 5.330 5.709 -0.379 2
1 286 . 1 1 A 35 35 TYR CA C 30 57.550 56.659 0.891 2
1 287 . 1 1 A 35 35 TYR CB C 30 41.270 42.208 -0.938 2
1 288 . 1 1 A 35 35 TYR N N 30 116.920 116.433 0.487 2
1 289 . 1 1 A 36 36 TRP H H 31 9.580 8.911 0.669 2
1 290 . 1 1 A 36 36 TRP HA H 31 5.740 5.533 0.207 2
1 299 . 1 1 A 36 36 TRP CA C 31 54.290 55.777 -1.487 2
1 300 . 1 1 A 36 36 TRP CB C 31 33.420 31.883 1.537 2
1 301 . 1 1 A 36 36 TRP N N 31 126.100 125.312 0.788 2
1 303 . 1 1 A 37 37 HIS H H 32 8.950 9.046 -0.096 2
1 304 . 1 1 A 37 37 HIS HA H 32 3.940 3.954 -0.014 2
1 309 . 1 1 A 37 37 HIS CA C 32 55.050 54.518 0.532 2
1 310 . 1 1 A 37 37 HIS CB C 32 29.110 29.319 -0.209 2
1 311 . 1 1 A 37 37 HIS N N 32 130.940 127.330 3.610 2
1 312 . 1 1 A 38 38 ILE H H 33 8.130 7.891 0.239 2
1 313 . 1 1 A 38 38 ILE HA H 33 2.920 3.122 -0.202 2
1 323 . 1 1 A 38 38 ILE CA C 33 65.700 65.901 -0.201 2
1 324 . 1 1 A 38 38 ILE CB C 33 35.350 34.874 0.476 2
1 328 . 1 1 A 38 38 ILE N N 33 127.650 126.361 1.289 2
1 329 . 1 1 A 39 39 PRO HA H 34 4.120 4.104 0.016 2
1 336 . 1 1 A 39 39 PRO CA C 34 65.700 65.967 -0.267 2
1 337 . 1 1 A 39 39 PRO CB C 34 32.150 30.606 1.544 2
1 340 . 1 1 A 40 40 THR H H 35 6.470 7.137 -0.667 2
1 341 . 1 1 A 40 40 THR HA H 35 4.510 4.169 0.341 2
1 346 . 1 1 A 40 40 THR CA C 35 61.240 62.836 -1.596 2
1 347 . 1 1 A 40 40 THR CB C 35 72.280 69.754 2.526 2
1 349 . 1 1 A 40 40 THR N N 35 100.770 109.648 -8.878 2
1 350 . 1 1 A 41 41 GLY H H 36 8.530 7.813 0.717 2
1 351 . 1 1 A 41 41 GLY HA2 H 36 3.660 4.051 -0.391 2
1 352 . 1 1 A 41 41 GLY HA3 H 36 4.210 4.187 0.023 2
1 353 . 1 1 A 41 41 GLY CA C 36 46.220 45.364 0.856 2
1 354 . 1 1 A 41 41 GLY N N 36 113.280 110.235 3.045 2
1 355 . 1 1 A 42 42 THR H H 37 7.460 7.684 -0.224 2
1 356 . 1 1 A 42 42 THR HA H 37 4.260 4.457 -0.197 2
1 361 . 1 1 A 42 42 THR CA C 37 63.660 62.785 0.875 2
1 362 . 1 1 A 42 42 THR CB C 37 69.960 69.794 0.166 2
1 364 . 1 1 A 42 42 THR N N 37 115.720 116.908 -1.188 2
1 365 . 1 1 A 43 43 THR H H 38 8.420 8.881 -0.461 2
1 366 . 1 1 A 43 43 THR HA H 38 5.920 5.658 0.262 2
1 371 . 1 1 A 43 43 THR CA C 38 59.560 59.531 0.029 2
1 372 . 1 1 A 43 43 THR CB C 38 72.140 71.963 0.177 2
1 374 . 1 1 A 43 43 THR N N 38 116.010 114.125 1.885 2
1 375 . 1 1 A 44 44 GLN H H 39 9.180 8.460 0.720 2
1 376 . 1 1 A 44 44 GLN HA H 39 4.930 4.985 -0.055 2
1 383 . 1 1 A 44 44 GLN CA C 39 54.890 54.144 0.746 2
1 384 . 1 1 A 44 44 GLN CB C 39 32.550 31.870 0.680 2
1 386 . 1 1 A 44 44 GLN N N 39 116.860 118.493 -1.633 2
1 388 . 1 1 A 45 45 TRP H H 40 8.890 8.653 0.237 2
1 389 . 1 1 A 45 45 TRP HA H 40 4.820 5.135 -0.315 2
1 397 . 1 1 A 45 45 TRP CA C 40 59.410 58.119 1.291 2
1 398 . 1 1 A 45 45 TRP CB C 40 30.270 31.668 -1.398 2
1 399 . 1 1 A 45 45 TRP N N 40 121.200 120.798 0.402 2
1 400 . 1 1 A 46 46 GLU H H 41 7.970 8.146 -0.176 2
1 401 . 1 1 A 46 46 GLU HA H 41 4.720 4.787 -0.067 2
1 406 . 1 1 A 46 46 GLU CA C 41 54.070 54.165 -0.095 2
1 407 . 1 1 A 46 46 GLU CB C 41 29.640 29.766 -0.126 2
1 409 . 1 1 A 46 46 GLU N N 41 119.500 118.744 0.756 2
1 410 . 1 1 A 47 47 PRO HA H 42 2.900 3.740 -0.840 2
1 417 . 1 1 A 47 47 PRO CA C 42 60.700 61.770 -1.070 2
1 418 . 1 1 A 47 47 PRO CB C 42 29.760 31.667 -1.907 2
1 421 . 1 1 A 48 48 PRO HA H 43 3.770 4.198 -0.428 2
1 428 . 1 1 A 48 48 PRO CA C 43 61.890 62.900 -1.010 2
1 429 . 1 1 A 48 48 PRO CB C 43 30.880 30.789 0.091 2
1 432 . 1 1 A 49 49 GLY H H 44 8.020 8.141 -0.121 2
1 433 . 1 1 A 49 49 GLY HA2 H 44 3.770 3.982 -0.212 2
1 434 . 1 1 A 49 49 GLY HA3 H 44 3.770 3.996 -0.226 2
1 435 . 1 1 A 49 49 GLY CA C 44 44.770 45.228 -0.458 2
1 436 . 1 1 A 49 49 GLY N N 44 107.850 109.153 -1.303 2
1 437 . 1 1 A 50 50 ARG H H 45 7.980 8.321 -0.341 2
1 438 . 1 1 A 50 50 ARG HA H 45 4.280 4.456 -0.176 2
1 445 . 1 1 A 50 50 ARG CA C 45 55.730 56.192 -0.462 2
1 446 . 1 1 A 50 50 ARG CB C 45 31.150 31.431 -0.281 2
1 449 . 1 1 A 50 50 ARG N N 45 119.870 121.844 -1.974 2
1 450 . 1 1 A 51 51 ALA H H 46 8.340 8.173 0.167 2
1 451 . 1 1 A 51 51 ALA HA H 46 4.330 4.402 -0.072 2
1 455 . 1 1 A 51 51 ALA CA C 46 52.290 52.308 -0.018 2
1 456 . 1 1 A 51 51 ALA CB C 46 19.450 19.673 -0.223 2
1 457 . 1 1 A 51 51 ALA N N 46 125.360 124.441 0.919 2
1 458 . 1 1 A 52 52 SER H H 47 8.360 8.521 -0.161 2
1 459 . 1 1 A 52 52 SER HA H 47 4.730 4.692 0.038 2
1 462 . 1 1 A 52 52 SER CA C 47 56.520 57.587 -1.067 2
1 463 . 1 1 A 52 52 SER CB C 47 63.460 63.464 -0.004 2
1 464 . 1 1 A 52 52 SER N N 47 117.200 115.394 1.806 2
1 465 . 1 1 A 53 53 PRO HA H 48 4.490 4.602 -0.112 2
1 472 . 1 1 A 53 53 PRO CA C 48 63.450 63.049 0.401 2
1 473 . 1 1 A 53 53 PRO CB C 48 32.280 31.908 0.372 2
1 476 . 1 1 A 54 54 SER H H 49 8.420 8.392 0.028 2
1 477 . 1 1 A 54 54 SER HA H 49 4.440 4.722 -0.282 2
1 480 . 1 1 A 54 54 SER CA C 49 58.490 57.817 0.673 2
1 481 . 1 1 A 54 54 SER CB C 49 63.990 64.843 -0.853 2
1 482 . 1 1 A 54 54 SER N N 49 116.680 114.926 1.754 2
stop_
save_