data_16002_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16002
_Entry.PDB_ID 2K9U
_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 20
_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 4 . 1 1 1 A 2 2 ILE H H 2 8.800 8.464 0.336 1
1 5 . 1 1 1 A 2 2 ILE N N 2 126.630 120.916 5.714 1
1 6 . 1 1 1 A 3 3 PRO HA H 3 4.360 4.372 -0.012 1
1 13 . 1 1 1 A 3 3 PRO CA C 3 60.670 66.252 -5.582 1
1 14 . 1 1 1 A 3 3 PRO CB C 3 29.390 31.314 -1.924 1
1 17 . 1 1 1 A 4 4 GLU H H 4 8.270 8.009 0.261 1
1 18 . 1 1 1 A 4 4 GLU HA H 4 4.360 4.030 0.330 1
1 23 . 1 1 1 A 4 4 GLU CA C 4 53.690 58.350 -4.660 1
1 24 . 1 1 1 A 4 4 GLU CB C 4 29.430 27.853 1.577 1
1 26 . 1 1 1 A 4 4 GLU N N 4 119.290 115.622 3.668 1
1 27 . 1 1 1 A 5 5 PHE H H 5 8.810 8.141 0.669 1
1 28 . 1 1 1 A 5 5 PHE N N 5 126.600 117.495 9.105 1
1 29 . 1 1 1 A 6 6 PHE H H 6 8.070 8.402 -0.332 1
1 30 . 1 1 1 A 6 6 PHE HA H 6 4.650 4.490 0.160 1
1 33 . 1 1 1 A 6 6 PHE CA C 6 54.920 59.094 -4.174 1
1 34 . 1 1 1 A 6 6 PHE CB C 6 37.190 39.340 -2.150 1
1 35 . 1 1 1 A 6 6 PHE N N 6 120.380 118.907 1.473 1
1 36 . 1 1 1 A 7 7 GLN H H 7 7.980 9.150 -1.170 1
1 37 . 1 1 1 A 7 7 GLN HA H 7 4.430 4.250 0.180 1
1 42 . 1 1 1 A 7 7 GLN CA C 7 54.860 57.187 -2.327 1
1 43 . 1 1 1 A 7 7 GLN CB C 7 26.570 28.408 -1.838 1
1 45 . 1 1 1 A 7 7 GLN N N 7 119.930 119.330 0.600 1
1 46 . 1 1 1 A 8 8 PHE H H 8 8.030 8.233 -0.203 1
1 47 . 1 1 1 A 8 8 PHE HA H 8 4.630 4.729 -0.099 1
1 50 . 1 1 1 A 8 8 PHE CA C 8 55.020 58.695 -3.675 1
1 51 . 1 1 1 A 8 8 PHE CB C 8 36.840 41.236 -4.396 1
1 52 . 1 1 1 A 8 8 PHE N N 8 119.560 116.772 2.788 1
1 53 . 1 1 1 A 9 9 THR H H 9 8.040 8.130 -0.090 1
1 54 . 1 1 1 A 9 9 THR HA H 9 4.300 4.471 -0.171 1
1 59 . 1 1 1 A 9 9 THR CA C 9 59.410 62.435 -3.025 1
1 60 . 1 1 1 A 9 9 THR CB C 9 67.440 68.946 -1.506 1
1 62 . 1 1 1 A 9 9 THR N N 9 114.650 113.797 0.853 1
1 63 . 1 1 1 A 10 10 VAL H H 10 8.070 8.052 0.018 1
1 64 . 1 1 1 A 10 10 VAL HA H 10 4.210 3.833 0.377 1
1 72 . 1 1 1 A 10 10 VAL CA C 10 59.470 64.963 -5.493 1
1 73 . 1 1 1 A 10 10 VAL CB C 10 30.180 32.482 -2.302 1
1 75 . 1 1 1 A 10 10 VAL N N 10 120.380 121.941 -1.561 1
1 76 . 1 1 1 A 11 11 GLY H H 11 8.200 7.651 0.549 1
1 77 . 1 1 1 A 11 11 GLY HA2 H 11 4.090 4.071 0.019 1
1 78 . 1 1 1 A 11 11 GLY HA3 H 11 4.000 4.087 -0.087 1
1 79 . 1 1 1 A 11 11 GLY CA C 11 41.420 45.628 -4.208 1
1 80 . 1 1 1 A 11 11 GLY N N 11 110.910 109.285 1.625 1
1 81 . 1 1 1 A 12 12 PRO HA H 12 4.360 4.623 -0.263 1
1 88 . 1 1 1 A 12 12 PRO CA C 12 60.590 63.006 -2.416 1
1 89 . 1 1 1 A 12 12 PRO CB C 12 33.600 30.716 2.884 1
1 92 . 1 1 1 A 13 13 LEU H H 13 8.360 9.490 -1.130 1
1 93 . 1 1 1 A 13 13 LEU HA H 13 4.340 4.103 0.237 1
1 103 . 1 1 1 A 13 13 LEU CA C 13 52.800 55.645 -2.845 1
1 104 . 1 1 1 A 13 13 LEU CB C 13 39.650 39.847 -0.197 1
1 108 . 1 1 1 A 13 13 LEU N N 13 120.390 119.134 1.256 1
1 109 . 1 1 1 A 14 14 GLY H H 14 8.240 8.347 -0.107 1
1 110 . 1 1 1 A 14 14 GLY HA2 H 14 3.960 3.817 0.143 1
1 111 . 1 1 1 A 14 14 GLY HA3 H 14 3.660 3.857 -0.197 1
1 112 . 1 1 1 A 14 14 GLY CA C 14 40.240 45.278 -5.038 1
1 113 . 1 1 1 A 14 14 GLY N N 14 107.860 108.679 -0.819 1
1 114 . 1 1 1 A 15 15 GLU H H 15 8.250 9.480 -1.230 1
1 115 . 1 1 1 A 15 15 GLU HA H 15 4.360 4.036 0.324 1
1 120 . 1 1 1 A 15 15 GLU CA C 15 53.920 57.687 -3.767 1
1 121 . 1 1 1 A 15 15 GLU CB C 15 27.800 28.947 -1.147 1
1 123 . 1 1 1 A 15 15 GLU N N 15 118.800 119.132 -0.332 1
1 124 . 1 1 1 A 16 16 GLY H H 16 8.460 8.470 -0.010 1
1 125 . 1 1 1 A 16 16 GLY HA2 H 16 3.960 4.092 -0.132 1
1 126 . 1 1 1 A 16 16 GLY HA3 H 16 3.880 4.106 -0.226 1
1 127 . 1 1 1 A 16 16 GLY CA C 16 42.490 44.342 -1.852 1
1 128 . 1 1 1 A 16 16 GLY N N 16 108.190 107.255 0.935 1
1 129 . 1 1 1 A 17 17 GLY H H 17 8.300 8.991 -0.691 1
1 130 . 1 1 1 A 17 17 GLY HA2 H 17 4.430 3.957 0.473 1
1 131 . 1 1 1 A 17 17 GLY HA3 H 17 3.780 4.035 -0.255 1
1 132 . 1 1 1 A 17 17 GLY CA C 17 42.550 46.910 -4.360 1
1 133 . 1 1 1 A 17 17 GLY N N 17 105.790 112.298 -6.508 1
1 134 . 1 1 1 A 18 18 ALA H H 18 8.800 8.080 0.720 1
1 135 . 1 1 1 A 18 18 ALA HA H 18 3.760 4.122 -0.362 1
1 139 . 1 1 1 A 18 18 ALA CA C 18 52.780 54.399 -1.619 1
1 140 . 1 1 1 A 18 18 ALA CB C 18 16.810 18.499 -1.689 1
1 141 . 1 1 1 A 18 18 ALA N N 18 120.770 124.454 -3.684 1
1 142 . 1 1 1 A 19 19 HIS H H 19 8.230 7.708 0.522 1
1 143 . 1 1 1 A 19 19 HIS HA H 19 4.410 4.265 0.145 1
1 146 . 1 1 1 A 19 19 HIS CA C 19 54.740 59.212 -4.472 1
1 147 . 1 1 1 A 19 19 HIS CB C 19 26.240 30.232 -3.992 1
1 148 . 1 1 1 A 19 19 HIS N N 19 109.490 118.571 -9.081 1
1 149 . 1 1 1 A 20 20 LYS H H 20 7.570 8.188 -0.618 1
1 150 . 1 1 1 A 20 20 LYS HA H 20 4.170 3.915 0.255 1
1 159 . 1 1 1 A 20 20 LYS CA C 20 52.100 58.244 -6.144 1
1 160 . 1 1 1 A 20 20 LYS CB C 20 29.850 31.606 -1.756 1
1 164 . 1 1 1 A 20 20 LYS N N 20 115.920 116.897 -0.977 1
1 165 . 1 1 1 A 21 21 VAL H H 21 7.460 7.625 -0.165 1
1 166 . 1 1 1 A 21 21 VAL HA H 21 4.270 3.924 0.346 1
1 174 . 1 1 1 A 21 21 VAL CA C 21 60.730 62.636 -1.906 1
1 175 . 1 1 1 A 21 21 VAL CB C 21 29.340 31.569 -2.229 1
1 178 . 1 1 1 A 21 21 VAL N N 21 122.030 122.263 -0.233 1
1 179 . 1 1 1 A 22 22 ARG H H 22 7.840 8.537 -0.697 1
1 180 . 1 1 1 A 22 22 ARG HA H 22 5.100 5.198 -0.098 1
1 187 . 1 1 1 A 22 22 ARG CA C 22 51.230 54.255 -3.025 1
1 188 . 1 1 1 A 22 22 ARG CB C 22 31.930 33.562 -1.632 1
1 191 . 1 1 1 A 22 22 ARG N N 22 121.520 129.365 -7.845 1
1 192 . 1 1 1 A 23 23 ALA H H 23 8.920 8.805 0.115 1
1 193 . 1 1 1 A 23 23 ALA HA H 23 5.580 5.486 0.094 1
1 197 . 1 1 1 A 23 23 ALA CA C 23 47.810 51.473 -3.663 1
1 198 . 1 1 1 A 23 23 ALA CB C 23 21.660 21.408 0.252 1
1 199 . 1 1 1 A 23 23 ALA N N 23 123.300 127.340 -4.040 1
1 200 . 1 1 1 A 24 24 GLY H H 24 8.450 8.325 0.125 1
1 201 . 1 1 1 A 24 24 GLY HA2 H 24 4.200 4.373 -0.173 1
1 202 . 1 1 1 A 24 24 GLY HA3 H 24 4.160 4.378 -0.218 1
1 203 . 1 1 1 A 24 24 GLY CA C 24 43.560 45.116 -1.556 1
1 204 . 1 1 1 A 24 24 GLY N N 24 104.220 109.382 -5.162 1
1 205 . 1 1 1 A 25 25 GLY H H 25 8.770 8.364 0.406 1
1 206 . 1 1 1 A 25 25 GLY HA2 H 25 4.880 4.293 0.587 1
1 207 . 1 1 1 A 25 25 GLY HA3 H 25 4.050 4.368 -0.318 1
1 208 . 1 1 1 A 25 25 GLY CA C 25 42.110 46.058 -3.948 1
1 209 . 1 1 1 A 25 25 GLY N N 25 109.590 110.292 -0.702 1
1 210 . 1 1 1 A 26 26 THR H H 26 8.620 8.784 -0.164 1
1 211 . 1 1 1 A 26 26 THR HA H 26 4.030 4.228 -0.198 1
1 216 . 1 1 1 A 26 26 THR CA C 26 63.280 65.152 -1.872 1
1 217 . 1 1 1 A 26 26 THR CB C 26 65.990 69.057 -3.067 1
1 219 . 1 1 1 A 26 26 THR N N 26 113.050 114.880 -1.830 1
1 220 . 1 1 1 A 27 27 GLY H H 27 9.040 8.232 0.808 1
1 221 . 1 1 1 A 27 27 GLY HA2 H 27 4.270 4.099 0.171 1
1 222 . 1 1 1 A 27 27 GLY HA3 H 27 3.390 4.224 -0.834 1
1 223 . 1 1 1 A 27 27 GLY CA C 27 44.250 46.697 -2.447 1
1 224 . 1 1 1 A 27 27 GLY N N 27 105.190 107.811 -2.621 1
1 225 . 1 1 1 A 28 28 LEU H H 28 7.450 7.817 -0.367 1
1 226 . 1 1 1 A 28 28 LEU HA H 28 4.210 4.206 0.004 1
1 236 . 1 1 1 A 28 28 LEU CA C 28 51.150 54.201 -3.051 1
1 237 . 1 1 1 A 28 28 LEU CB C 28 37.670 41.476 -3.806 1
1 241 . 1 1 1 A 28 28 LEU N N 28 114.980 119.596 -4.616 1
1 242 . 1 1 1 A 29 29 GLU H H 29 7.980 7.921 0.059 1
1 243 . 1 1 1 A 29 29 GLU HA H 29 4.540 4.482 0.058 1
1 248 . 1 1 1 A 29 29 GLU CA C 29 54.910 56.959 -2.049 1
1 249 . 1 1 1 A 29 29 GLU CB C 29 29.430 32.889 -3.459 1
1 251 . 1 1 1 A 29 29 GLU N N 29 117.810 117.578 0.232 1
1 252 . 1 1 1 A 30 30 ARG H H 30 8.340 7.444 0.896 1
1 253 . 1 1 1 A 30 30 ARG HA H 30 4.720 4.797 -0.077 1
1 260 . 1 1 1 A 30 30 ARG CA C 30 53.350 54.972 -1.622 1
1 261 . 1 1 1 A 30 30 ARG CB C 30 29.440 32.703 -3.263 1
1 264 . 1 1 1 A 30 30 ARG N N 30 112.890 114.920 -2.030 1
1 265 . 1 1 1 A 31 31 GLY H H 31 8.100 8.013 0.087 1
1 266 . 1 1 1 A 31 31 GLY HA2 H 31 4.540 4.403 0.137 1
1 267 . 1 1 1 A 31 31 GLY HA3 H 31 3.610 4.429 -0.819 1
1 268 . 1 1 1 A 31 31 GLY CA C 31 41.630 45.400 -3.770 1
1 269 . 1 1 1 A 31 31 GLY N N 31 103.670 106.171 -2.501 1
1 270 . 1 1 1 A 32 32 VAL H H 32 9.410 8.453 0.957 1
1 271 . 1 1 1 A 32 32 VAL HA H 32 4.450 5.122 -0.672 1
1 279 . 1 1 1 A 32 32 VAL CA C 32 58.730 59.984 -1.254 1
1 280 . 1 1 1 A 32 32 VAL CB C 32 32.560 35.768 -3.208 1
1 283 . 1 1 1 A 32 32 VAL N N 32 122.160 120.313 1.847 1
1 284 . 1 1 1 A 33 33 ALA H H 33 8.560 8.514 0.046 1
1 285 . 1 1 1 A 33 33 ALA HA H 33 3.620 3.976 -0.356 1
1 289 . 1 1 1 A 33 33 ALA CA C 33 50.860 53.998 -3.138 1
1 290 . 1 1 1 A 33 33 ALA CB C 33 14.450 18.548 -4.098 1
1 291 . 1 1 1 A 33 33 ALA N N 33 129.490 128.868 0.622 1
1 292 . 1 1 1 A 34 34 GLY H H 34 8.590 8.801 -0.211 1
1 293 . 1 1 1 A 34 34 GLY HA2 H 34 4.320 3.889 0.431 1
1 294 . 1 1 1 A 34 34 GLY HA3 H 34 3.420 3.891 -0.471 1
1 295 . 1 1 1 A 34 34 GLY CA C 34 42.710 47.094 -4.384 1
1 296 . 1 1 1 A 34 34 GLY N N 34 106.900 111.682 -4.782 1
1 297 . 1 1 1 A 35 35 VAL H H 35 7.840 7.395 0.445 1
1 298 . 1 1 1 A 35 35 VAL HA H 35 4.450 4.376 0.074 1
1 306 . 1 1 1 A 35 35 VAL CA C 35 56.660 58.954 -2.294 1
1 307 . 1 1 1 A 35 35 VAL CB C 35 32.030 35.337 -3.307 1
1 310 . 1 1 1 A 35 35 VAL N N 35 121.520 119.315 2.205 1
1 311 . 1 1 1 A 36 36 PRO HA H 36 4.260 4.379 -0.119 1
1 318 . 1 1 1 A 36 36 PRO CA C 36 60.720 62.790 -2.070 1
1 319 . 1 1 1 A 36 36 PRO CB C 36 28.760 31.941 -3.181 1
1 322 . 1 1 1 A 37 37 ALA H H 37 8.920 8.177 0.743 1
1 323 . 1 1 1 A 37 37 ALA HA H 37 4.490 4.917 -0.427 1
1 327 . 1 1 1 A 37 37 ALA CA C 37 47.550 50.298 -2.748 1
1 328 . 1 1 1 A 37 37 ALA CB C 37 17.110 23.855 -6.745 1
1 329 . 1 1 1 A 37 37 ALA N N 37 129.160 123.333 5.827 1
1 330 . 1 1 1 A 38 38 GLU H H 38 8.470 8.884 -0.414 1
1 331 . 1 1 1 A 38 38 GLU HA H 38 4.330 5.178 -0.848 1
1 336 . 1 1 1 A 38 38 GLU CA C 38 52.150 55.072 -2.922 1
1 337 . 1 1 1 A 38 38 GLU CB C 38 31.010 33.915 -2.905 1
1 339 . 1 1 1 A 38 38 GLU N N 38 117.150 115.811 1.339 1
1 340 . 1 1 1 A 39 39 PHE H H 39 8.870 8.546 0.324 1
1 341 . 1 1 1 A 39 39 PHE HA H 39 4.520 5.150 -0.630 1
1 344 . 1 1 1 A 39 39 PHE CA C 39 54.670 56.261 -1.591 1
1 345 . 1 1 1 A 39 39 PHE CB C 39 37.170 41.061 -3.891 1
1 346 . 1 1 1 A 39 39 PHE N N 39 115.740 117.948 -2.208 1
1 347 . 1 1 1 A 40 40 SER H H 40 8.870 8.578 0.292 1
1 348 . 1 1 1 A 40 40 SER HA H 40 5.420 5.258 0.162 1
1 351 . 1 1 1 A 40 40 SER CA C 40 54.890 55.884 -0.994 1
1 352 . 1 1 1 A 40 40 SER CB C 40 63.790 65.433 -1.643 1
1 353 . 1 1 1 A 40 40 SER N N 40 113.140 113.680 -0.540 1
1 354 . 1 1 1 A 41 41 ILE H H 41 8.410 8.902 -0.492 1
1 355 . 1 1 1 A 41 41 ILE HA H 41 4.670 4.937 -0.267 1
1 365 . 1 1 1 A 41 41 ILE CA C 41 57.640 60.847 -3.207 1
1 366 . 1 1 1 A 41 41 ILE CB C 41 38.260 39.992 -1.732 1
1 370 . 1 1 1 A 41 41 ILE N N 41 118.020 122.312 -4.292 1
1 371 . 1 1 1 A 42 42 TRP H H 42 9.580 8.672 0.908 1
1 372 . 1 1 1 A 42 42 TRP HA H 42 4.870 4.988 -0.118 1
1 375 . 1 1 1 A 42 42 TRP CA C 42 56.240 57.824 -1.584 1
1 376 . 1 1 1 A 42 42 TRP CB C 42 27.690 30.631 -2.941 1
1 377 . 1 1 1 A 42 42 TRP N N 42 126.430 130.742 -4.312 1
1 378 . 1 1 1 A 43 43 THR H H 43 8.370 7.928 0.442 1
1 379 . 1 1 1 A 43 43 THR HA H 43 3.800 4.122 -0.322 1
1 384 . 1 1 1 A 43 43 THR CA C 43 59.210 59.808 -0.598 1
1 385 . 1 1 1 A 43 43 THR CB C 43 67.070 70.239 -3.169 1
1 387 . 1 1 1 A 43 43 THR N N 43 112.460 119.765 -7.305 1
1 388 . 1 1 1 A 44 44 ARG HA H 44 3.910 3.729 0.181 1
1 395 . 1 1 1 A 44 44 ARG CA C 44 57.190 56.702 0.488 1
1 396 . 1 1 1 A 44 44 ARG CB C 44 27.710 28.559 -0.849 1
1 399 . 1 1 1 A 45 45 GLU H H 45 8.260 7.865 0.395 1
1 400 . 1 1 1 A 45 45 GLU HA H 45 4.160 4.552 -0.392 1
1 405 . 1 1 1 A 45 45 GLU CA C 45 54.510 58.016 -3.506 1
1 406 . 1 1 1 A 45 45 GLU CB C 45 27.510 31.448 -3.938 1
1 408 . 1 1 1 A 45 45 GLU N N 45 113.080 122.205 -9.125 1
1 409 . 1 1 1 A 46 46 ALA H H 46 7.550 8.256 -0.706 1
1 410 . 1 1 1 A 46 46 ALA HA H 46 3.870 4.132 -0.262 1
1 414 . 1 1 1 A 46 46 ALA CA C 46 50.350 54.663 -4.313 1
1 415 . 1 1 1 A 46 46 ALA CB C 46 18.120 19.709 -1.589 1
1 416 . 1 1 1 A 46 46 ALA N N 46 119.560 122.250 -2.690 1
1 417 . 1 1 1 A 47 47 GLY H H 47 7.450 7.375 0.075 1
1 418 . 1 1 1 A 47 47 GLY HA2 H 47 4.180 4.057 0.123 1
1 419 . 1 1 1 A 47 47 GLY HA3 H 47 3.630 4.084 -0.454 1
1 420 . 1 1 1 A 47 47 GLY CA C 47 41.940 44.345 -2.405 1
1 421 . 1 1 1 A 47 47 GLY N N 47 102.870 102.099 0.771 1
1 422 . 1 1 1 A 48 48 ALA H H 48 8.220 8.394 -0.174 1
1 423 . 1 1 1 A 48 48 ALA HA H 48 4.290 4.402 -0.112 1
1 427 . 1 1 1 A 48 48 ALA CA C 48 49.360 52.764 -3.404 1
1 428 . 1 1 1 A 48 48 ALA CB C 48 16.590 19.645 -3.055 1
1 429 . 1 1 1 A 48 48 ALA N N 48 120.390 123.391 -3.001 1
1 430 . 1 1 1 A 49 49 GLY H H 49 8.000 8.296 -0.296 1
1 431 . 1 1 1 A 49 49 GLY HA2 H 49 3.720 3.704 0.016 1
1 432 . 1 1 1 A 49 49 GLY HA3 H 49 3.720 4.051 -0.331 1
1 433 . 1 1 1 A 49 49 GLY CA C 49 43.000 45.673 -2.673 1
1 434 . 1 1 1 A 49 49 GLY N N 49 106.720 106.767 -0.047 1
1 435 . 1 1 1 A 50 50 GLY H H 50 7.580 7.888 -0.308 1
1 436 . 1 1 1 A 50 50 GLY N N 50 104.780 109.628 -4.848 1
1 437 . 1 1 1 A 51 51 LEU HA H 51 5.300 5.195 0.105 1
1 444 . 1 1 1 A 51 51 LEU CA C 51 50.270 54.113 -3.843 1
1 445 . 1 1 1 A 51 51 LEU CB C 51 42.930 44.635 -1.705 1
1 448 . 1 1 1 A 52 52 SER H H 52 9.110 8.446 0.664 1
1 449 . 1 1 1 A 52 52 SER HA H 52 5.180 4.882 0.298 1
1 452 . 1 1 1 A 52 52 SER CA C 52 53.700 58.872 -5.172 1
1 453 . 1 1 1 A 52 52 SER CB C 52 63.000 63.959 -0.959 1
1 454 . 1 1 1 A 52 52 SER N N 52 117.210 124.029 -6.819 1
1 455 . 1 1 1 A 53 53 ILE H H 53 8.330 8.693 -0.363 1
1 456 . 1 1 1 A 53 53 ILE HA H 53 4.930 4.833 0.097 1
1 466 . 1 1 1 A 53 53 ILE CA C 53 57.220 60.890 -3.670 1
1 467 . 1 1 1 A 53 53 ILE CB C 53 37.710 40.021 -2.311 1
1 471 . 1 1 1 A 53 53 ILE N N 53 124.030 124.792 -0.762 1
1 472 . 1 1 1 A 54 54 ALA H H 54 8.920 8.643 0.277 1
1 473 . 1 1 1 A 54 54 ALA HA H 54 5.390 4.878 0.512 1
1 477 . 1 1 1 A 54 54 ALA CA C 54 47.440 50.608 -3.168 1
1 478 . 1 1 1 A 54 54 ALA CB C 54 19.810 20.267 -0.457 1
1 479 . 1 1 1 A 54 54 ALA N N 54 126.530 131.015 -4.485 1
1 480 . 1 1 1 A 55 55 VAL H H 55 9.010 8.782 0.228 1
1 481 . 1 1 1 A 55 55 VAL HA H 55 4.830 5.154 -0.324 1
1 489 . 1 1 1 A 55 55 VAL CA C 55 58.430 59.925 -1.495 1
1 490 . 1 1 1 A 55 55 VAL CB C 55 31.020 33.461 -2.441 1
1 493 . 1 1 1 A 55 55 VAL N N 55 119.590 119.457 0.133 1
1 494 . 1 1 1 A 56 56 GLU H H 56 9.270 8.969 0.301 1
1 495 . 1 1 1 A 56 56 GLU HA H 56 4.690 5.213 -0.523 1
1 500 . 1 1 1 A 56 56 GLU CA C 56 52.000 55.181 -3.181 1
1 501 . 1 1 1 A 56 56 GLU CB C 56 31.050 33.757 -2.707 1
1 503 . 1 1 1 A 56 56 GLU N N 56 127.360 123.606 3.754 1
1 504 . 1 1 1 A 57 57 GLY H H 57 8.620 8.200 0.420 1
1 505 . 1 1 1 A 57 57 GLY N N 57 108.540 111.485 -2.945 1
1 506 . 1 1 1 A 58 58 PRO HA H 58 4.480 4.328 0.152 1
1 513 . 1 1 1 A 58 58 PRO CA C 58 61.850 64.187 -2.337 1
1 514 . 1 1 1 A 58 58 PRO CB C 58 29.820 31.948 -2.128 1
1 517 . 1 1 1 A 59 59 SER H H 59 7.200 7.309 -0.109 1
1 518 . 1 1 1 A 59 59 SER HA H 59 4.620 4.947 -0.327 1
1 521 . 1 1 1 A 59 59 SER CA C 59 55.050 57.311 -2.261 1
1 522 . 1 1 1 A 59 59 SER CB C 59 63.650 65.918 -2.268 1
1 523 . 1 1 1 A 59 59 SER N N 59 106.970 108.640 -1.670 1
1 524 . 1 1 1 A 60 60 LYS H H 60 8.570 8.371 0.199 1
1 525 . 1 1 1 A 60 60 LYS HA H 60 4.000 4.686 -0.686 1
1 534 . 1 1 1 A 60 60 LYS CA C 60 54.090 55.888 -1.798 1
1 535 . 1 1 1 A 60 60 LYS CB C 60 30.480 32.944 -2.464 1
1 539 . 1 1 1 A 60 60 LYS N N 60 118.890 121.835 -2.945 1
1 540 . 1 1 1 A 61 61 ALA H H 61 8.830 8.537 0.293 1
1 541 . 1 1 1 A 61 61 ALA HA H 61 4.930 4.671 0.259 1
1 545 . 1 1 1 A 61 61 ALA CA C 61 47.980 52.002 -4.022 1
1 546 . 1 1 1 A 61 61 ALA CB C 61 17.500 19.199 -1.699 1
1 547 . 1 1 1 A 61 61 ALA N N 61 127.130 129.112 -1.982 1
1 548 . 1 1 1 A 62 62 GLU H H 62 8.440 8.560 -0.120 1
1 549 . 1 1 1 A 62 62 GLU HA H 62 4.610 4.489 0.121 1
1 554 . 1 1 1 A 62 62 GLU CA C 62 52.800 55.674 -2.874 1
1 555 . 1 1 1 A 62 62 GLU CB C 62 27.620 31.219 -3.599 1
1 557 . 1 1 1 A 62 62 GLU N N 62 121.980 121.551 0.429 1
1 558 . 1 1 1 A 63 63 ILE H H 63 8.710 8.506 0.204 1
1 559 . 1 1 1 A 63 63 ILE HA H 63 4.710 4.913 -0.203 1
1 569 . 1 1 1 A 63 63 ILE CA C 63 58.480 60.158 -1.678 1
1 570 . 1 1 1 A 63 63 ILE CB C 63 37.820 42.547 -4.727 1
1 574 . 1 1 1 A 63 63 ILE N N 63 125.400 123.291 2.109 1
1 575 . 1 1 1 A 64 64 ALA H H 64 9.350 8.576 0.774 1
1 576 . 1 1 1 A 64 64 ALA HA H 64 5.400 4.945 0.455 1
1 580 . 1 1 1 A 64 64 ALA CA C 64 47.440 51.609 -4.169 1
1 581 . 1 1 1 A 64 64 ALA CB C 64 19.750 21.356 -1.606 1
1 582 . 1 1 1 A 64 64 ALA N N 64 130.180 126.534 3.646 1
1 583 . 1 1 1 A 65 65 PHE H H 65 8.120 8.559 -0.439 1
1 584 . 1 1 1 A 65 65 PHE HA H 65 5.410 5.276 0.134 1
1 587 . 1 1 1 A 65 65 PHE CA C 65 53.210 55.501 -2.291 1
1 588 . 1 1 1 A 65 65 PHE CB C 65 40.490 40.340 0.150 1
1 589 . 1 1 1 A 65 65 PHE N N 65 115.800 121.644 -5.844 1
1 590 . 1 1 1 A 66 66 GLU H H 66 8.360 8.925 -0.565 1
1 591 . 1 1 1 A 66 66 GLU HA H 66 4.700 4.697 0.003 1
1 596 . 1 1 1 A 66 66 GLU CA C 66 52.100 55.161 -3.061 1
1 597 . 1 1 1 A 66 66 GLU CB C 66 30.280 32.423 -2.143 1
1 599 . 1 1 1 A 66 66 GLU N N 66 120.390 120.753 -0.363 1
1 600 . 1 1 1 A 67 67 ASP H H 67 8.880 9.129 -0.249 1
1 601 . 1 1 1 A 67 67 ASP HA H 67 5.120 4.835 0.285 1
1 604 . 1 1 1 A 67 67 ASP CA C 67 51.070 53.892 -2.822 1
1 605 . 1 1 1 A 67 67 ASP CB C 67 38.310 39.759 -1.449 1
1 606 . 1 1 1 A 67 67 ASP N N 67 124.860 127.021 -2.161 1
1 607 . 1 1 1 A 68 68 ARG H H 68 8.330 8.393 -0.063 1
1 608 . 1 1 1 A 68 68 ARG HA H 68 4.170 4.673 -0.503 1
1 613 . 1 1 1 A 68 68 ARG CA C 68 54.170 54.914 -0.744 1
1 614 . 1 1 1 A 68 68 ARG CB C 68 27.740 30.608 -2.868 1
1 615 . 1 1 1 A 68 68 ARG N N 68 125.010 124.762 0.248 1
1 616 . 1 1 1 A 69 69 LYS H H 69 7.980 8.076 -0.096 1
1 617 . 1 1 1 A 69 69 LYS HA H 69 4.030 4.497 -0.467 1
1 626 . 1 1 1 A 69 69 LYS CA C 69 55.530 55.012 0.518 1
1 627 . 1 1 1 A 69 69 LYS CB C 69 26.220 33.861 -7.641 1
1 631 . 1 1 1 A 69 69 LYS N N 69 118.110 123.175 -5.065 1
1 632 . 1 1 1 A 70 70 ASP H H 70 7.930 8.409 -0.479 1
1 633 . 1 1 1 A 70 70 ASP HA H 70 4.330 4.329 0.001 1
1 636 . 1 1 1 A 70 70 ASP CA C 70 52.540 55.457 -2.917 1
1 637 . 1 1 1 A 70 70 ASP CB C 70 40.020 40.393 -0.373 1
1 638 . 1 1 1 A 70 70 ASP N N 70 116.380 118.521 -2.141 1
1 639 . 1 1 1 A 71 71 GLY H H 71 9.080 8.399 0.681 1
1 640 . 1 1 1 A 71 71 GLY HA2 H 71 4.200 4.095 0.105 1
1 641 . 1 1 1 A 71 71 GLY HA3 H 71 3.630 4.312 -0.682 1
1 642 . 1 1 1 A 71 71 GLY CA C 71 42.480 45.609 -3.129 1
1 643 . 1 1 1 A 71 71 GLY N N 71 108.240 106.059 2.181 1
1 644 . 1 1 1 A 72 72 SER H H 72 8.400 8.002 0.398 1
1 645 . 1 1 1 A 72 72 SER HA H 72 5.470 4.740 0.730 1
1 648 . 1 1 1 A 72 72 SER CA C 72 54.440 58.747 -4.307 1
1 649 . 1 1 1 A 72 72 SER CB C 72 65.130 64.404 0.726 1
1 650 . 1 1 1 A 72 72 SER N N 72 116.980 116.880 0.100 1
1 651 . 1 1 1 A 73 73 CYS H H 73 8.810 8.773 0.037 1
1 652 . 1 1 1 A 73 73 CYS HA H 73 5.210 4.816 0.394 1
1 655 . 1 1 1 A 73 73 CYS CA C 73 53.240 58.359 -5.119 1
1 656 . 1 1 1 A 73 73 CYS CB C 73 28.520 28.884 -0.364 1
1 657 . 1 1 1 A 73 73 CYS N N 73 114.140 125.101 -10.961 1
1 658 . 1 1 1 A 74 74 GLY H H 74 8.880 8.679 0.201 1
1 659 . 1 1 1 A 74 74 GLY HA2 H 74 4.540 3.983 0.557 1
1 660 . 1 1 1 A 74 74 GLY HA3 H 74 3.610 4.050 -0.440 1
1 661 . 1 1 1 A 74 74 GLY CA C 74 41.630 44.999 -3.369 1
1 662 . 1 1 1 A 74 74 GLY N N 74 110.010 114.049 -4.039 1
1 663 . 1 1 1 A 75 75 VAL H H 75 8.480 8.746 -0.266 1
1 664 . 1 1 1 A 75 75 VAL HA H 75 4.550 4.783 -0.233 1
1 672 . 1 1 1 A 75 75 VAL CA C 75 57.860 61.358 -3.498 1
1 673 . 1 1 1 A 75 75 VAL CB C 75 30.530 31.526 -0.996 1
1 676 . 1 1 1 A 75 75 VAL N N 75 122.510 126.430 -3.920 1
1 677 . 1 1 1 A 76 76 SER H H 76 8.700 9.733 -1.033 1
1 678 . 1 1 1 A 76 76 SER HA H 76 5.540 5.088 0.452 1
1 681 . 1 1 1 A 76 76 SER CA C 76 53.360 57.126 -3.766 1
1 682 . 1 1 1 A 76 76 SER CB C 76 63.190 64.693 -1.503 1
1 683 . 1 1 1 A 76 76 SER N N 76 118.910 122.926 -4.016 1
1 684 . 1 1 1 A 77 77 TYR H H 77 8.960 8.986 -0.026 1
1 685 . 1 1 1 A 77 77 TYR HA H 77 4.420 5.756 -1.336 1
1 688 . 1 1 1 A 77 77 TYR CA C 77 52.780 55.354 -2.574 1
1 689 . 1 1 1 A 77 77 TYR CB C 77 39.950 41.450 -1.500 1
1 690 . 1 1 1 A 77 77 TYR N N 77 118.060 119.709 -1.649 1
1 691 . 1 1 1 A 78 78 VAL H H 78 8.160 8.437 -0.277 1
1 692 . 1 1 1 A 78 78 VAL HA H 78 4.320 4.573 -0.253 1
1 700 . 1 1 1 A 78 78 VAL CA C 78 57.510 61.484 -3.974 1
1 701 . 1 1 1 A 78 78 VAL CB C 78 32.620 35.049 -2.429 1
1 704 . 1 1 1 A 78 78 VAL N N 78 116.800 119.666 -2.866 1
1 705 . 1 1 1 A 79 79 VAL H H 79 8.730 8.583 0.147 1
1 706 . 1 1 1 A 79 79 VAL HA H 79 4.760 4.439 0.321 1
1 714 . 1 1 1 A 79 79 VAL CA C 79 55.750 60.394 -4.644 1
1 715 . 1 1 1 A 79 79 VAL CB C 79 30.530 33.660 -3.130 1
1 718 . 1 1 1 A 79 79 VAL N N 79 119.730 126.268 -6.538 1
1 719 . 1 1 1 A 80 80 GLN H H 80 8.030 9.159 -1.129 1
1 720 . 1 1 1 A 80 80 GLN HA H 80 4.240 4.432 -0.192 1
1 725 . 1 1 1 A 80 80 GLN CA C 80 53.910 57.031 -3.121 1
1 726 . 1 1 1 A 80 80 GLN CB C 80 27.130 30.509 -3.379 1
1 728 . 1 1 1 A 80 80 GLN N N 80 116.150 122.467 -6.317 1
1 729 . 1 1 1 A 81 81 GLU H H 81 7.070 8.061 -0.991 1
1 730 . 1 1 1 A 81 81 GLU HA H 81 5.010 4.792 0.218 1
1 735 . 1 1 1 A 81 81 GLU CA C 81 49.600 53.246 -3.646 1
1 736 . 1 1 1 A 81 81 GLU CB C 81 29.410 32.503 -3.093 1
1 738 . 1 1 1 A 81 81 GLU N N 81 113.990 116.653 -2.663 1
1 739 . 1 1 1 A 82 82 PRO HA H 82 5.040 4.360 0.680 1
1 746 . 1 1 1 A 82 82 PRO CA C 82 59.910 63.781 -3.871 1
1 747 . 1 1 1 A 82 82 PRO CB C 82 29.280 32.265 -2.985 1
1 750 . 1 1 1 A 83 83 GLY H H 83 8.840 7.827 1.013 1
1 751 . 1 1 1 A 83 83 GLY CA C 83 41.780 44.653 -2.873 1
1 752 . 1 1 1 A 83 83 GLY N N 83 104.910 107.982 -3.072 1
1 753 . 1 1 1 A 84 84 ASP H H 84 8.250 8.341 -0.091 1
1 754 . 1 1 1 A 84 84 ASP HA H 84 5.260 5.281 -0.021 1
1 757 . 1 1 1 A 84 84 ASP CA C 84 51.540 53.347 -1.807 1
1 758 . 1 1 1 A 84 84 ASP CB C 84 38.700 41.460 -2.760 1
1 759 . 1 1 1 A 84 84 ASP N N 84 118.800 120.613 -1.813 1
1 760 . 1 1 1 A 85 85 TYR H H 85 8.810 8.620 0.190 1
1 761 . 1 1 1 A 85 85 TYR HA H 85 3.970 4.971 -1.001 1
1 764 . 1 1 1 A 85 85 TYR CA C 85 53.930 58.628 -4.698 1
1 765 . 1 1 1 A 85 85 TYR CB C 85 37.760 39.758 -1.998 1
1 766 . 1 1 1 A 85 85 TYR N N 85 121.630 124.718 -3.088 1
1 767 . 1 1 1 A 86 86 GLU H H 86 9.320 9.240 0.080 1
1 768 . 1 1 1 A 86 86 GLU HA H 86 5.260 5.487 -0.227 1
1 773 . 1 1 1 A 86 86 GLU CA C 86 52.350 54.735 -2.385 1
1 774 . 1 1 1 A 86 86 GLU CB C 86 30.070 32.809 -2.739 1
1 776 . 1 1 1 A 86 86 GLU N N 86 120.420 120.002 0.418 1
1 777 . 1 1 1 A 87 87 VAL H H 87 9.810 8.635 1.175 1
1 778 . 1 1 1 A 87 87 VAL HA H 87 4.990 5.279 -0.289 1
1 786 . 1 1 1 A 87 87 VAL CA C 87 58.590 59.417 -0.827 1
1 787 . 1 1 1 A 87 87 VAL CB C 87 30.210 35.394 -5.184 1
1 790 . 1 1 1 A 87 87 VAL N N 87 129.200 122.309 6.891 1
1 791 . 1 1 1 A 88 88 SER H H 88 9.560 8.737 0.823 1
1 792 . 1 1 1 A 88 88 SER HA H 88 5.170 5.413 -0.243 1
1 795 . 1 1 1 A 88 88 SER CA C 88 55.170 56.762 -1.592 1
1 796 . 1 1 1 A 88 88 SER CB C 88 62.790 64.736 -1.946 1
1 797 . 1 1 1 A 88 88 SER N N 88 121.730 122.037 -0.307 1
1 798 . 1 1 1 A 89 89 ILE H H 89 9.570 9.035 0.535 1
1 799 . 1 1 1 A 89 89 ILE HA H 89 4.920 5.380 -0.460 1
1 809 . 1 1 1 A 89 89 ILE CA C 89 57.020 59.395 -2.375 1
1 810 . 1 1 1 A 89 89 ILE CB C 89 38.120 39.697 -1.577 1
1 814 . 1 1 1 A 89 89 ILE N N 89 125.650 122.202 3.448 1
1 815 . 1 1 1 A 90 90 LYS H H 90 8.760 8.631 0.129 1
1 816 . 1 1 1 A 90 90 LYS HA H 90 5.130 5.337 -0.207 1
1 825 . 1 1 1 A 90 90 LYS CA C 90 50.980 54.789 -3.809 1
1 826 . 1 1 1 A 90 90 LYS CB C 90 33.850 35.822 -1.972 1
1 830 . 1 1 1 A 90 90 LYS N N 90 122.170 125.188 -3.018 1
1 831 . 1 1 1 A 91 91 PHE H H 91 9.040 8.421 0.619 1
1 832 . 1 1 1 A 91 91 PHE HA H 91 5.330 4.933 0.397 1
1 835 . 1 1 1 A 91 91 PHE CA C 91 53.190 57.290 -4.100 1
1 836 . 1 1 1 A 91 91 PHE CB C 91 40.200 39.558 0.642 1
1 837 . 1 1 1 A 91 91 PHE N N 91 120.990 125.308 -4.318 1
1 838 . 1 1 1 A 92 92 ASN H H 92 9.210 9.805 -0.595 1
1 839 . 1 1 1 A 92 92 ASN HA H 92 4.220 4.235 -0.015 1
1 842 . 1 1 1 A 92 92 ASN CA C 92 51.480 53.970 -2.490 1
1 843 . 1 1 1 A 92 92 ASN CB C 92 33.610 36.960 -3.350 1
1 844 . 1 1 1 A 92 92 ASN N N 92 127.010 125.185 1.825 1
1 845 . 1 1 1 A 93 93 ASP H H 93 8.760 8.519 0.241 1
1 846 . 1 1 1 A 93 93 ASP HA H 93 3.970 4.370 -0.400 1
1 849 . 1 1 1 A 93 93 ASP CA C 93 53.920 56.132 -2.212 1
1 850 . 1 1 1 A 93 93 ASP CB C 93 38.060 39.242 -1.182 1
1 851 . 1 1 1 A 93 93 ASP N N 93 107.220 111.026 -3.806 1
1 852 . 1 1 1 A 94 94 GLU H H 94 7.500 8.187 -0.687 1
1 853 . 1 1 1 A 94 94 GLU HA H 94 4.700 4.410 0.290 1
1 857 . 1 1 1 A 94 94 GLU CA C 94 51.940 54.989 -3.049 1
1 858 . 1 1 1 A 94 94 GLU CB C 94 29.680 27.941 1.739 1
1 860 . 1 1 1 A 94 94 GLU N N 94 117.830 118.841 -1.011 1
1 861 . 1 1 1 A 95 95 HIS H H 95 8.770 7.858 0.912 1
1 862 . 1 1 1 A 95 95 HIS HA H 95 4.480 4.857 -0.377 1
1 865 . 1 1 1 A 95 95 HIS CA C 95 56.530 55.871 0.659 1
1 866 . 1 1 1 A 95 95 HIS CB C 95 29.690 29.979 -0.289 1
1 867 . 1 1 1 A 95 95 HIS N N 95 121.910 119.585 2.325 1
1 868 . 1 1 1 A 96 96 ILE H H 96 8.110 8.039 0.071 1
1 869 . 1 1 1 A 96 96 ILE HA H 96 4.310 4.282 0.028 1
1 871 . 1 1 1 A 96 96 ILE CA C 96 57.520 60.134 -2.614 1
1 872 . 1 1 1 A 96 96 ILE CB C 96 32.720 37.546 -4.826 1
1 873 . 1 1 1 A 96 96 ILE N N 96 116.370 120.261 -3.891 1
1 874 . 1 1 1 A 97 97 PRO CA C 97 63.500 65.573 -2.073 1
1 875 . 1 1 1 A 97 97 PRO CB C 97 28.690 31.732 -3.042 1
1 878 . 1 1 1 A 98 98 ASP H H 98 7.940 8.716 -0.776 1
1 879 . 1 1 1 A 98 98 ASP HA H 98 5.010 3.955 1.055 1
1 882 . 1 1 1 A 98 98 ASP CA C 98 54.510 57.211 -2.701 1
1 883 . 1 1 1 A 98 98 ASP CB C 98 37.760 39.676 -1.916 1
1 884 . 1 1 1 A 98 98 ASP N N 98 113.440 118.210 -4.770 1
1 885 . 1 1 1 A 99 99 SER H H 99 7.470 7.298 0.172 1
1 886 . 1 1 1 A 99 99 SER HA H 99 4.230 4.598 -0.368 1
1 889 . 1 1 1 A 99 99 SER CA C 99 52.370 56.485 -4.115 1
1 890 . 1 1 1 A 99 99 SER CB C 99 60.430 64.219 -3.789 1
1 891 . 1 1 1 A 99 99 SER N N 99 110.680 114.386 -3.706 1
1 892 . 1 1 1 A 100 100 PRO HA H 100 4.550 5.022 -0.472 1
1 899 . 1 1 1 A 100 100 PRO CA C 100 59.920 62.787 -2.867 1
1 900 . 1 1 1 A 100 100 PRO CB C 100 31.880 31.931 -0.051 1
1 903 . 1 1 1 A 101 101 PHE H H 101 9.270 8.738 0.532 1
1 904 . 1 1 1 A 101 101 PHE HA H 101 4.560 4.825 -0.265 1
1 907 . 1 1 1 A 101 101 PHE CA C 101 54.060 57.654 -3.594 1
1 908 . 1 1 1 A 101 101 PHE CB C 101 37.930 39.565 -1.635 1
1 909 . 1 1 1 A 101 101 PHE N N 101 119.180 122.935 -3.755 1
1 910 . 1 1 1 A 102 102 VAL H H 102 8.760 8.913 -0.153 1
1 911 . 1 1 1 A 102 102 VAL HA H 102 4.580 5.266 -0.686 1
1 919 . 1 1 1 A 102 102 VAL CA C 102 60.400 59.841 0.559 1
1 920 . 1 1 1 A 102 102 VAL CB C 102 28.970 35.040 -6.070 1
1 923 . 1 1 1 A 102 102 VAL N N 102 123.120 120.937 2.183 1
1 924 . 1 1 1 A 103 103 VAL H H 103 9.520 9.520 0.000 1
1 925 . 1 1 1 A 103 103 VAL HA H 103 4.390 4.726 -0.336 1
1 933 . 1 1 1 A 103 103 VAL CA C 103 57.200 59.201 -2.001 1
1 934 . 1 1 1 A 103 103 VAL CB C 103 32.060 33.086 -1.026 1
1 937 . 1 1 1 A 103 103 VAL N N 103 130.330 128.415 1.915 1
1 938 . 1 1 1 A 104 104 PRO HA H 104 4.370 4.810 -0.440 1
1 941 . 1 1 1 A 104 104 PRO CA C 104 60.240 62.748 -2.508 1
1 942 . 1 1 1 A 104 104 PRO CB C 104 29.660 31.790 -2.130 1
1 945 . 1 1 1 A 105 105 VAL H H 105 9.300 8.331 0.969 1
1 946 . 1 1 1 A 105 105 VAL HA H 105 4.300 4.694 -0.394 1
1 954 . 1 1 1 A 105 105 VAL CA C 105 59.210 61.846 -2.636 1
1 955 . 1 1 1 A 105 105 VAL CB C 105 28.840 32.765 -3.925 1
1 958 . 1 1 1 A 105 105 VAL N N 105 126.320 124.232 2.088 1
1 959 . 1 1 1 A 106 106 ALA H H 106 8.360 9.450 -1.090 1
1 960 . 1 1 1 A 106 106 ALA HA H 106 4.660 5.252 -0.592 1
1 964 . 1 1 1 A 106 106 ALA CA C 106 48.340 50.418 -2.078 1
1 965 . 1 1 1 A 106 106 ALA CB C 106 18.960 22.232 -3.272 1
1 966 . 1 1 1 A 106 106 ALA N N 106 130.550 128.816 1.734 1
1 967 . 1 1 1 A 107 107 SER H H 107 8.590 8.493 0.097 1
1 968 . 1 1 1 A 107 107 SER HA H 107 4.490 5.021 -0.531 1
1 971 . 1 1 1 A 107 107 SER CA C 107 55.570 57.467 -1.897 1
1 972 . 1 1 1 A 107 107 SER CB C 107 61.760 63.477 -1.717 1
1 973 . 1 1 1 A 107 107 SER N N 107 112.340 114.951 -2.611 1
1 974 . 1 1 1 A 108 108 LEU H H 108 8.660 8.873 -0.213 1
1 975 . 1 1 1 A 108 108 LEU HA H 108 4.300 3.937 0.363 1
1 985 . 1 1 1 A 108 108 LEU CA C 108 53.250 56.546 -3.296 1
1 986 . 1 1 1 A 108 108 LEU CB C 108 39.650 40.301 -0.651 1
1 990 . 1 1 1 A 108 108 LEU N N 108 123.200 120.916 2.284 1
1 991 . 1 1 1 A 109 109 SER H H 109 8.210 7.985 0.225 1
1 992 . 1 1 1 A 109 109 SER HA H 109 4.370 4.546 -0.176 1
1 995 . 1 1 1 A 109 109 SER CA C 109 55.810 59.534 -3.724 1
1 996 . 1 1 1 A 109 109 SER CB C 109 61.240 64.190 -2.950 1
1 997 . 1 1 1 A 109 109 SER N N 109 114.710 113.355 1.355 1
1 998 . 1 1 1 A 110 110 ASP H H 110 8.240 8.304 -0.064 1
1 999 . 1 1 1 A 110 110 ASP HA H 110 4.500 4.305 0.195 1
1 1002 . 1 1 1 A 110 110 ASP CA C 110 52.740 55.475 -2.735 1
1 1003 . 1 1 1 A 110 110 ASP CB C 110 38.260 40.538 -2.278 1
1 1004 . 1 1 1 A 110 110 ASP N N 110 121.030 120.042 0.988 1
1 1005 . 1 1 1 A 111 111 ASP H H 111 8.210 7.870 0.340 1
1 1006 . 1 1 1 A 111 111 ASP HA H 111 4.500 4.806 -0.306 1
1 1009 . 1 1 1 A 111 111 ASP CA C 111 52.770 54.182 -1.412 1
1 1010 . 1 1 1 A 111 111 ASP CB C 111 38.290 42.866 -4.576 1
1 1011 . 1 1 1 A 111 111 ASP N N 111 118.910 116.205 2.705 1
1 1012 . 1 1 1 A 112 112 ALA H H 112 8.050 8.550 -0.500 1
1 1013 . 1 1 1 A 112 112 ALA HA H 112 4.170 4.220 -0.050 1
1 1017 . 1 1 1 A 112 112 ALA CA C 112 50.710 52.946 -2.236 1
1 1018 . 1 1 1 A 112 112 ALA CB C 112 16.110 17.331 -1.221 1
1 1019 . 1 1 1 A 112 112 ALA N N 112 121.600 120.826 0.774 1
1 1020 . 1 1 1 A 113 113 ARG H H 113 7.960 7.908 0.052 1
1 1021 . 1 1 1 A 113 113 ARG HA H 113 4.030 4.495 -0.465 1
1 1027 . 1 1 1 A 113 113 ARG CA C 113 55.200 55.627 -0.427 1
1 1028 . 1 1 1 A 113 113 ARG CB C 113 27.730 31.878 -4.148 1
1 1031 . 1 1 1 A 113 113 ARG N N 113 116.640 117.946 -1.306 1
1 1032 . 1 1 1 A 114 114 ARG H H 114 7.930 8.772 -0.842 1
1 1033 . 1 1 1 A 114 114 ARG HA H 114 4.000 4.285 -0.285 1
1 1040 . 1 1 1 A 114 114 ARG CA C 114 53.940 57.529 -3.589 1
1 1041 . 1 1 1 A 114 114 ARG CB C 114 30.550 30.491 0.059 1
1 1044 . 1 1 1 A 114 114 ARG N N 114 116.380 126.104 -9.724 1
1 1045 . 1 1 1 A 115 115 LEU H H 115 8.000 7.669 0.331 1
1 1046 . 1 1 1 A 115 115 LEU HA H 115 4.320 4.388 -0.068 1
1 1056 . 1 1 1 A 115 115 LEU CA C 115 52.870 55.832 -2.962 1
1 1057 . 1 1 1 A 115 115 LEU CB C 115 39.640 43.926 -4.286 1
1 1061 . 1 1 1 A 115 115 LEU N N 115 120.260 119.464 0.796 1
1 1062 . 1 1 1 A 116 116 THR H H 116 7.970 7.913 0.057 1
1 1063 . 1 1 1 A 116 116 THR HA H 116 4.390 4.238 0.152 1
1 1068 . 1 1 1 A 116 116 THR CA C 116 59.270 65.337 -6.067 1
1 1069 . 1 1 1 A 116 116 THR CB C 116 67.420 69.097 -1.677 1
1 1071 . 1 1 1 A 116 116 THR N N 116 113.250 114.697 -1.447 1
1 1072 . 1 1 1 A 117 117 VAL H H 117 8.070 8.081 -0.011 1
1 1073 . 1 1 1 A 117 117 VAL HA H 117 4.330 3.947 0.383 1
1 1078 . 1 1 1 A 117 117 VAL CA C 117 60.230 65.397 -5.167 1
1 1079 . 1 1 1 A 117 117 VAL CB C 117 30.360 31.802 -1.442 1
1 1081 . 1 1 1 A 117 117 VAL N N 117 120.990 119.743 1.247 1
1 1082 . 1 1 1 A 118 118 THR H H 118 8.210 7.731 0.479 1
1 1083 . 1 1 1 A 118 118 THR HA H 118 4.380 3.945 0.435 1
1 1088 . 1 1 1 A 118 118 THR CA C 118 58.770 63.068 -4.298 1
1 1089 . 1 1 1 A 118 118 THR CB C 118 67.420 67.636 -0.216 1
1 1091 . 1 1 1 A 118 118 THR N N 118 116.420 116.354 0.066 1
1 1098 . 1 2 2 B 6 6 GLU H H 6 8.780 8.481 0.299 1
1 1099 . 1 2 2 B 6 6 GLU HA H 6 4.160 4.119 0.041 1
1 1104 . 1 2 2 B 8 8 ARG H H 8 8.200 8.202 -0.002 1
1 1105 . 1 2 2 B 8 8 ARG HA H 8 4.210 4.718 -0.508 1
1 1111 . 1 2 2 B 9 9 VAL H H 9 9.000 8.571 0.429 1
1 1112 . 1 2 2 B 9 9 VAL HA H 9 4.070 4.220 -0.150 1
1 1123 . 1 2 2 B 11 11 SER H H 11 8.490 8.884 -0.394 1
1 1126 . 1 2 2 B 12 12 SER HA H 12 4.410 5.285 -0.875 1
1 1129 . 1 2 2 B 13 13 VAL H H 13 8.800 8.708 0.092 1
1 1130 . 1 2 2 B 13 13 VAL HA H 13 4.010 4.900 -0.890 1
1 1138 . 1 2 2 B 14 14 PHE HA H 14 4.620 5.107 -0.487 1
1 1143 . 1 2 2 B 15 15 ILE H H 15 8.710 8.805 -0.095 1
1 1144 . 1 2 2 B 15 15 ILE HA H 15 4.140 4.494 -0.354 1
1 1154 . 1 2 2 B 16 16 THR HA H 16 4.220 4.764 -0.544 1
1 1159 . 1 2 2 B 17 17 LEU H H 17 8.270 8.768 -0.498 1
1 1160 . 1 2 2 B 17 17 LEU HA H 17 4.130 4.868 -0.738 1
1 1170 . 1 2 2 B 18 18 ALA HA H 18 4.500 4.936 -0.436 1
1 4 . 2 1 1 A 2 2 ILE H H 2 8.800 7.812 0.988 1
1 5 . 2 1 1 A 2 2 ILE N N 2 126.630 119.682 6.948 1
1 6 . 2 1 1 A 3 3 PRO HA H 3 4.360 4.361 -0.001 1
1 13 . 2 1 1 A 3 3 PRO CA C 3 60.670 66.258 -5.588 1
1 14 . 2 1 1 A 3 3 PRO CB C 3 29.390 31.314 -1.924 1
1 17 . 2 1 1 A 4 4 GLU H H 4 8.270 8.193 0.077 1
1 18 . 2 1 1 A 4 4 GLU HA H 4 4.360 4.168 0.192 1
1 23 . 2 1 1 A 4 4 GLU CA C 4 53.690 58.046 -4.356 1
1 24 . 2 1 1 A 4 4 GLU CB C 4 29.430 29.370 0.060 1
1 26 . 2 1 1 A 4 4 GLU N N 4 119.290 118.509 0.781 1
1 27 . 2 1 1 A 5 5 PHE H H 5 8.810 8.087 0.723 1
1 28 . 2 1 1 A 5 5 PHE N N 5 126.600 115.832 10.768 1
1 29 . 2 1 1 A 6 6 PHE H H 6 8.070 8.441 -0.371 1
1 30 . 2 1 1 A 6 6 PHE HA H 6 4.650 4.493 0.157 1
1 33 . 2 1 1 A 6 6 PHE CA C 6 54.920 59.058 -4.138 1
1 34 . 2 1 1 A 6 6 PHE CB C 6 37.190 39.295 -2.105 1
1 35 . 2 1 1 A 6 6 PHE N N 6 120.380 118.805 1.575 1
1 36 . 2 1 1 A 7 7 GLN H H 7 7.980 9.159 -1.179 1
1 37 . 2 1 1 A 7 7 GLN HA H 7 4.430 4.246 0.184 1
1 42 . 2 1 1 A 7 7 GLN CA C 7 54.860 57.190 -2.330 1
1 43 . 2 1 1 A 7 7 GLN CB C 7 26.570 28.395 -1.825 1
1 45 . 2 1 1 A 7 7 GLN N N 7 119.930 119.318 0.612 1
1 46 . 2 1 1 A 8 8 PHE H H 8 8.030 8.262 -0.232 1
1 47 . 2 1 1 A 8 8 PHE HA H 8 4.630 4.733 -0.103 1
1 50 . 2 1 1 A 8 8 PHE CA C 8 55.020 58.695 -3.675 1
1 51 . 2 1 1 A 8 8 PHE CB C 8 36.840 41.238 -4.398 1
1 52 . 2 1 1 A 8 8 PHE N N 8 119.560 117.388 2.172 1
1 53 . 2 1 1 A 9 9 THR H H 9 8.040 8.134 -0.094 1
1 54 . 2 1 1 A 9 9 THR HA H 9 4.300 4.506 -0.206 1
1 59 . 2 1 1 A 9 9 THR CA C 9 59.410 62.744 -3.334 1
1 60 . 2 1 1 A 9 9 THR CB C 9 67.440 68.800 -1.360 1
1 62 . 2 1 1 A 9 9 THR N N 9 114.650 113.863 0.787 1
1 63 . 2 1 1 A 10 10 VAL H H 10 8.070 8.083 -0.013 1
1 64 . 2 1 1 A 10 10 VAL HA H 10 4.210 3.896 0.314 1
1 72 . 2 1 1 A 10 10 VAL CA C 10 59.470 64.961 -5.491 1
1 73 . 2 1 1 A 10 10 VAL CB C 10 30.180 32.323 -2.143 1
1 75 . 2 1 1 A 10 10 VAL N N 10 120.380 121.964 -1.584 1
1 76 . 2 1 1 A 11 11 GLY H H 11 8.200 7.670 0.530 1
1 77 . 2 1 1 A 11 11 GLY HA2 H 11 4.090 4.113 -0.023 1
1 78 . 2 1 1 A 11 11 GLY HA3 H 11 4.000 4.116 -0.116 1
1 79 . 2 1 1 A 11 11 GLY CA C 11 41.420 45.838 -4.418 1
1 80 . 2 1 1 A 11 11 GLY N N 11 110.910 109.253 1.657 1
1 81 . 2 1 1 A 12 12 PRO HA H 12 4.360 4.644 -0.284 1
1 88 . 2 1 1 A 12 12 PRO CA C 12 60.590 63.388 -2.798 1
1 89 . 2 1 1 A 12 12 PRO CB C 12 33.600 31.182 2.418 1
1 92 . 2 1 1 A 13 13 LEU H H 13 8.360 9.116 -0.756 1
1 93 . 2 1 1 A 13 13 LEU HA H 13 4.340 4.096 0.244 1
1 103 . 2 1 1 A 13 13 LEU CA C 13 52.800 56.367 -3.567 1
1 104 . 2 1 1 A 13 13 LEU CB C 13 39.650 40.633 -0.983 1
1 108 . 2 1 1 A 13 13 LEU N N 13 120.390 114.953 5.437 1
1 109 . 2 1 1 A 14 14 GLY H H 14 8.240 8.497 -0.257 1
1 110 . 2 1 1 A 14 14 GLY HA2 H 14 3.960 3.860 0.100 1
1 111 . 2 1 1 A 14 14 GLY HA3 H 14 3.660 3.941 -0.281 1
1 112 . 2 1 1 A 14 14 GLY CA C 14 40.240 45.384 -5.144 1
1 113 . 2 1 1 A 14 14 GLY N N 14 107.860 105.656 2.204 1
1 114 . 2 1 1 A 15 15 GLU H H 15 8.250 9.745 -1.495 1
1 115 . 2 1 1 A 15 15 GLU HA H 15 4.360 4.084 0.276 1
1 120 . 2 1 1 A 15 15 GLU CA C 15 53.920 57.645 -3.725 1
1 121 . 2 1 1 A 15 15 GLU CB C 15 27.800 29.038 -1.238 1
1 123 . 2 1 1 A 15 15 GLU N N 15 118.800 119.746 -0.946 1
1 124 . 2 1 1 A 16 16 GLY H H 16 8.460 8.618 -0.158 1
1 125 . 2 1 1 A 16 16 GLY HA2 H 16 3.960 4.021 -0.061 1
1 126 . 2 1 1 A 16 16 GLY HA3 H 16 3.880 4.024 -0.144 1
1 127 . 2 1 1 A 16 16 GLY CA C 16 42.490 44.799 -2.309 1
1 128 . 2 1 1 A 16 16 GLY N N 16 108.190 107.492 0.698 1
1 129 . 2 1 1 A 17 17 GLY H H 17 8.300 8.578 -0.278 1
1 130 . 2 1 1 A 17 17 GLY HA2 H 17 4.430 4.156 0.274 1
1 131 . 2 1 1 A 17 17 GLY HA3 H 17 3.780 4.305 -0.525 1
1 132 . 2 1 1 A 17 17 GLY CA C 17 42.550 45.846 -3.296 1
1 133 . 2 1 1 A 17 17 GLY N N 17 105.790 114.464 -8.674 1
1 134 . 2 1 1 A 18 18 ALA H H 18 8.800 8.873 -0.073 1
1 135 . 2 1 1 A 18 18 ALA HA H 18 3.760 4.232 -0.472 1
1 139 . 2 1 1 A 18 18 ALA CA C 18 52.780 53.921 -1.141 1
1 140 . 2 1 1 A 18 18 ALA CB C 18 16.810 18.514 -1.704 1
1 141 . 2 1 1 A 18 18 ALA N N 18 120.770 124.596 -3.826 1
1 142 . 2 1 1 A 19 19 HIS H H 19 8.230 8.117 0.113 1
1 143 . 2 1 1 A 19 19 HIS HA H 19 4.410 4.360 0.050 1
1 146 . 2 1 1 A 19 19 HIS CA C 19 54.740 57.767 -3.027 1
1 147 . 2 1 1 A 19 19 HIS CB C 19 26.240 30.532 -4.292 1
1 148 . 2 1 1 A 19 19 HIS N N 19 109.490 118.532 -9.042 1
1 149 . 2 1 1 A 20 20 LYS H H 20 7.570 8.882 -1.312 1
1 150 . 2 1 1 A 20 20 LYS HA H 20 4.170 4.354 -0.184 1
1 159 . 2 1 1 A 20 20 LYS CA C 20 52.100 56.079 -3.979 1
1 160 . 2 1 1 A 20 20 LYS CB C 20 29.850 33.863 -4.013 1
1 164 . 2 1 1 A 20 20 LYS N N 20 115.920 113.395 2.525 1
1 165 . 2 1 1 A 21 21 VAL H H 21 7.460 7.151 0.309 1
1 166 . 2 1 1 A 21 21 VAL HA H 21 4.270 4.149 0.121 1
1 174 . 2 1 1 A 21 21 VAL CA C 21 60.730 61.935 -1.205 1
1 175 . 2 1 1 A 21 21 VAL CB C 21 29.340 32.128 -2.788 1
1 178 . 2 1 1 A 21 21 VAL N N 21 122.030 121.216 0.814 1
1 179 . 2 1 1 A 22 22 ARG H H 22 7.840 9.041 -1.201 1
1 180 . 2 1 1 A 22 22 ARG HA H 22 5.100 5.121 -0.021 1
1 187 . 2 1 1 A 22 22 ARG CA C 22 51.230 54.472 -3.242 1
1 188 . 2 1 1 A 22 22 ARG CB C 22 31.930 33.276 -1.346 1
1 191 . 2 1 1 A 22 22 ARG N N 22 121.520 129.868 -8.348 1
1 192 . 2 1 1 A 23 23 ALA H H 23 8.920 9.016 -0.096 1
1 193 . 2 1 1 A 23 23 ALA HA H 23 5.580 5.357 0.223 1
1 197 . 2 1 1 A 23 23 ALA CA C 23 47.810 50.721 -2.911 1
1 198 . 2 1 1 A 23 23 ALA CB C 23 21.660 21.719 -0.059 1
1 199 . 2 1 1 A 23 23 ALA N N 23 123.300 128.881 -5.581 1
1 200 . 2 1 1 A 24 24 GLY H H 24 8.450 8.468 -0.018 1
1 201 . 2 1 1 A 24 24 GLY HA2 H 24 4.200 4.321 -0.121 1
1 202 . 2 1 1 A 24 24 GLY HA3 H 24 4.160 4.335 -0.175 1
1 203 . 2 1 1 A 24 24 GLY CA C 24 43.560 45.023 -1.463 1
1 204 . 2 1 1 A 24 24 GLY N N 24 104.220 109.685 -5.465 1
1 205 . 2 1 1 A 25 25 GLY H H 25 8.770 8.395 0.375 1
1 206 . 2 1 1 A 25 25 GLY HA2 H 25 4.880 4.322 0.558 1
1 207 . 2 1 1 A 25 25 GLY HA3 H 25 4.050 4.414 -0.364 1
1 208 . 2 1 1 A 25 25 GLY CA C 25 42.110 45.821 -3.711 1
1 209 . 2 1 1 A 25 25 GLY N N 25 109.590 110.280 -0.690 1
1 210 . 2 1 1 A 26 26 THR H H 26 8.620 8.778 -0.158 1
1 211 . 2 1 1 A 26 26 THR HA H 26 4.030 4.112 -0.082 1
1 216 . 2 1 1 A 26 26 THR CA C 26 63.280 65.132 -1.852 1
1 217 . 2 1 1 A 26 26 THR CB C 26 65.990 68.959 -2.969 1
1 219 . 2 1 1 A 26 26 THR N N 26 113.050 113.508 -0.458 1
1 220 . 2 1 1 A 27 27 GLY H H 27 9.040 8.260 0.780 1
1 221 . 2 1 1 A 27 27 GLY HA2 H 27 4.270 4.172 0.098 1
1 222 . 2 1 1 A 27 27 GLY HA3 H 27 3.390 4.360 -0.970 1
1 223 . 2 1 1 A 27 27 GLY CA C 27 44.250 46.561 -2.311 1
1 224 . 2 1 1 A 27 27 GLY N N 27 105.190 111.271 -6.081 1
1 225 . 2 1 1 A 28 28 LEU H H 28 7.450 7.944 -0.494 1
1 226 . 2 1 1 A 28 28 LEU HA H 28 4.210 3.978 0.232 1
1 236 . 2 1 1 A 28 28 LEU CA C 28 51.150 56.137 -4.987 1
1 237 . 2 1 1 A 28 28 LEU CB C 28 37.670 41.995 -4.325 1
1 241 . 2 1 1 A 28 28 LEU N N 28 114.980 121.283 -6.303 1
1 242 . 2 1 1 A 29 29 GLU H H 29 7.980 7.731 0.249 1
1 243 . 2 1 1 A 29 29 GLU HA H 29 4.540 4.328 0.212 1
1 248 . 2 1 1 A 29 29 GLU CA C 29 54.910 58.127 -3.217 1
1 249 . 2 1 1 A 29 29 GLU CB C 29 29.430 30.785 -1.355 1
1 251 . 2 1 1 A 29 29 GLU N N 29 117.810 116.812 0.998 1
1 252 . 2 1 1 A 30 30 ARG H H 30 8.340 7.288 1.052 1
1 253 . 2 1 1 A 30 30 ARG HA H 30 4.720 5.041 -0.321 1
1 260 . 2 1 1 A 30 30 ARG CA C 30 53.350 54.585 -1.235 1
1 261 . 2 1 1 A 30 30 ARG CB C 30 29.440 34.897 -5.457 1
1 264 . 2 1 1 A 30 30 ARG N N 30 112.890 117.551 -4.661 1
1 265 . 2 1 1 A 31 31 GLY H H 31 8.100 8.106 -0.006 1
1 266 . 2 1 1 A 31 31 GLY HA2 H 31 4.540 4.410 0.130 1
1 267 . 2 1 1 A 31 31 GLY HA3 H 31 3.610 4.419 -0.809 1
1 268 . 2 1 1 A 31 31 GLY CA C 31 41.630 45.415 -3.785 1
1 269 . 2 1 1 A 31 31 GLY N N 31 103.670 108.013 -4.343 1
1 270 . 2 1 1 A 32 32 VAL H H 32 9.410 8.430 0.980 1
1 271 . 2 1 1 A 32 32 VAL HA H 32 4.450 5.154 -0.704 1
1 279 . 2 1 1 A 32 32 VAL CA C 32 58.730 59.961 -1.231 1
1 280 . 2 1 1 A 32 32 VAL CB C 32 32.560 35.741 -3.181 1
1 283 . 2 1 1 A 32 32 VAL N N 32 122.160 120.418 1.742 1
1 284 . 2 1 1 A 33 33 ALA H H 33 8.560 8.509 0.051 1
1 285 . 2 1 1 A 33 33 ALA HA H 33 3.620 3.960 -0.340 1
1 289 . 2 1 1 A 33 33 ALA CA C 33 50.860 54.015 -3.155 1
1 290 . 2 1 1 A 33 33 ALA CB C 33 14.450 18.531 -4.081 1
1 291 . 2 1 1 A 33 33 ALA N N 33 129.490 129.328 0.162 1
1 292 . 2 1 1 A 34 34 GLY H H 34 8.590 8.773 -0.183 1
1 293 . 2 1 1 A 34 34 GLY HA2 H 34 4.320 3.853 0.467 1
1 294 . 2 1 1 A 34 34 GLY HA3 H 34 3.420 3.871 -0.451 1
1 295 . 2 1 1 A 34 34 GLY CA C 34 42.710 47.110 -4.400 1
1 296 . 2 1 1 A 34 34 GLY N N 34 106.900 111.607 -4.707 1
1 297 . 2 1 1 A 35 35 VAL H H 35 7.840 7.241 0.599 1
1 298 . 2 1 1 A 35 35 VAL HA H 35 4.450 4.384 0.066 1
1 306 . 2 1 1 A 35 35 VAL CA C 35 56.660 58.894 -2.234 1
1 307 . 2 1 1 A 35 35 VAL CB C 35 32.030 35.231 -3.201 1
1 310 . 2 1 1 A 35 35 VAL N N 35 121.520 119.381 2.139 1
1 311 . 2 1 1 A 36 36 PRO HA H 36 4.260 4.411 -0.151 1
1 318 . 2 1 1 A 36 36 PRO CA C 36 60.720 62.868 -2.148 1
1 319 . 2 1 1 A 36 36 PRO CB C 36 28.760 31.795 -3.035 1
1 322 . 2 1 1 A 37 37 ALA H H 37 8.920 7.890 1.030 1
1 323 . 2 1 1 A 37 37 ALA HA H 37 4.490 5.112 -0.622 1
1 327 . 2 1 1 A 37 37 ALA CA C 37 47.550 50.564 -3.014 1
1 328 . 2 1 1 A 37 37 ALA CB C 37 17.110 23.041 -5.931 1
1 329 . 2 1 1 A 37 37 ALA N N 37 129.160 125.804 3.356 1
1 330 . 2 1 1 A 38 38 GLU H H 38 8.470 9.097 -0.627 1
1 331 . 2 1 1 A 38 38 GLU HA H 38 4.330 5.352 -1.022 1
1 336 . 2 1 1 A 38 38 GLU CA C 38 52.150 55.097 -2.947 1
1 337 . 2 1 1 A 38 38 GLU CB C 38 31.010 33.917 -2.907 1
1 339 . 2 1 1 A 38 38 GLU N N 38 117.150 117.198 -0.048 1
1 340 . 2 1 1 A 39 39 PHE H H 39 8.870 7.973 0.897 1
1 341 . 2 1 1 A 39 39 PHE HA H 39 4.520 5.483 -0.963 1
1 344 . 2 1 1 A 39 39 PHE CA C 39 54.670 55.449 -0.779 1
1 345 . 2 1 1 A 39 39 PHE CB C 39 37.170 41.814 -4.644 1
1 346 . 2 1 1 A 39 39 PHE N N 39 115.740 117.710 -1.970 1
1 347 . 2 1 1 A 40 40 SER H H 40 8.870 8.811 0.059 1
1 348 . 2 1 1 A 40 40 SER HA H 40 5.420 5.396 0.024 1
1 351 . 2 1 1 A 40 40 SER CA C 40 54.890 55.951 -1.061 1
1 352 . 2 1 1 A 40 40 SER CB C 40 63.790 66.486 -2.696 1
1 353 . 2 1 1 A 40 40 SER N N 40 113.140 113.329 -0.189 1
1 354 . 2 1 1 A 41 41 ILE H H 41 8.410 8.799 -0.389 1
1 355 . 2 1 1 A 41 41 ILE HA H 41 4.670 5.100 -0.430 1
1 365 . 2 1 1 A 41 41 ILE CA C 41 57.640 60.348 -2.708 1
1 366 . 2 1 1 A 41 41 ILE CB C 41 38.260 40.896 -2.636 1
1 370 . 2 1 1 A 41 41 ILE N N 41 118.020 122.070 -4.050 1
1 371 . 2 1 1 A 42 42 TRP H H 42 9.580 8.924 0.656 1
1 372 . 2 1 1 A 42 42 TRP HA H 42 4.870 5.548 -0.678 1
1 375 . 2 1 1 A 42 42 TRP CA C 42 56.240 55.222 1.018 1
1 376 . 2 1 1 A 42 42 TRP CB C 42 27.690 32.694 -5.004 1
1 377 . 2 1 1 A 42 42 TRP N N 42 126.430 130.136 -3.706 1
1 378 . 2 1 1 A 43 43 THR H H 43 8.370 8.076 0.294 1
1 379 . 2 1 1 A 43 43 THR HA H 43 3.800 4.387 -0.587 1
1 384 . 2 1 1 A 43 43 THR CA C 43 59.210 60.323 -1.113 1
1 385 . 2 1 1 A 43 43 THR CB C 43 67.070 69.506 -2.436 1
1 387 . 2 1 1 A 43 43 THR N N 43 112.460 117.489 -5.029 1
1 388 . 2 1 1 A 44 44 ARG HA H 44 3.910 3.730 0.180 1
1 395 . 2 1 1 A 44 44 ARG CA C 44 57.190 56.657 0.533 1
1 396 . 2 1 1 A 44 44 ARG CB C 44 27.710 28.448 -0.738 1
1 399 . 2 1 1 A 45 45 GLU H H 45 8.260 7.853 0.407 1
1 400 . 2 1 1 A 45 45 GLU HA H 45 4.160 4.554 -0.394 1
1 405 . 2 1 1 A 45 45 GLU CA C 45 54.510 57.987 -3.477 1
1 406 . 2 1 1 A 45 45 GLU CB C 45 27.510 32.000 -4.490 1
1 408 . 2 1 1 A 45 45 GLU N N 45 113.080 123.416 -10.336 1
1 409 . 2 1 1 A 46 46 ALA H H 46 7.550 8.257 -0.707 1
1 410 . 2 1 1 A 46 46 ALA HA H 46 3.870 4.126 -0.256 1
1 414 . 2 1 1 A 46 46 ALA CA C 46 50.350 54.589 -4.239 1
1 415 . 2 1 1 A 46 46 ALA CB C 46 18.120 19.997 -1.877 1
1 416 . 2 1 1 A 46 46 ALA N N 46 119.560 121.645 -2.085 1
1 417 . 2 1 1 A 47 47 GLY H H 47 7.450 7.386 0.064 1
1 418 . 2 1 1 A 47 47 GLY HA2 H 47 4.180 4.084 0.096 1
1 419 . 2 1 1 A 47 47 GLY HA3 H 47 3.630 4.099 -0.469 1
1 420 . 2 1 1 A 47 47 GLY CA C 47 41.940 45.111 -3.171 1
1 421 . 2 1 1 A 47 47 GLY N N 47 102.870 102.562 0.308 1
1 422 . 2 1 1 A 48 48 ALA H H 48 8.220 8.360 -0.140 1
1 423 . 2 1 1 A 48 48 ALA HA H 48 4.290 4.383 -0.093 1
1 427 . 2 1 1 A 48 48 ALA CA C 48 49.360 52.812 -3.452 1
1 428 . 2 1 1 A 48 48 ALA CB C 48 16.590 19.533 -2.943 1
1 429 . 2 1 1 A 48 48 ALA N N 48 120.390 123.136 -2.746 1
1 430 . 2 1 1 A 49 49 GLY H H 49 8.000 8.324 -0.324 1
1 431 . 2 1 1 A 49 49 GLY HA2 H 49 3.720 3.618 0.102 1
1 432 . 2 1 1 A 49 49 GLY HA3 H 49 3.720 4.063 -0.343 1
1 433 . 2 1 1 A 49 49 GLY CA C 49 43.000 45.807 -2.807 1
1 434 . 2 1 1 A 49 49 GLY N N 49 106.720 106.804 -0.084 1
1 435 . 2 1 1 A 50 50 GLY H H 50 7.580 7.791 -0.211 1
1 436 . 2 1 1 A 50 50 GLY N N 50 104.780 108.803 -4.023 1
1 437 . 2 1 1 A 51 51 LEU HA H 51 5.300 5.302 -0.002 1
1 444 . 2 1 1 A 51 51 LEU CA C 51 50.270 53.925 -3.655 1
1 445 . 2 1 1 A 51 51 LEU CB C 51 42.930 44.272 -1.342 1
1 448 . 2 1 1 A 52 52 SER H H 52 9.110 8.271 0.839 1
1 449 . 2 1 1 A 52 52 SER HA H 52 5.180 5.104 0.076 1
1 452 . 2 1 1 A 52 52 SER CA C 52 53.700 57.083 -3.383 1
1 453 . 2 1 1 A 52 52 SER CB C 52 63.000 64.638 -1.638 1
1 454 . 2 1 1 A 52 52 SER N N 52 117.210 120.581 -3.371 1
1 455 . 2 1 1 A 53 53 ILE H H 53 8.330 8.786 -0.456 1
1 456 . 2 1 1 A 53 53 ILE HA H 53 4.930 4.983 -0.053 1
1 466 . 2 1 1 A 53 53 ILE CA C 53 57.220 60.506 -3.286 1
1 467 . 2 1 1 A 53 53 ILE CB C 53 37.710 40.876 -3.166 1
1 471 . 2 1 1 A 53 53 ILE N N 53 124.030 123.471 0.559 1
1 472 . 2 1 1 A 54 54 ALA H H 54 8.920 8.639 0.281 1
1 473 . 2 1 1 A 54 54 ALA HA H 54 5.390 5.058 0.332 1
1 477 . 2 1 1 A 54 54 ALA CA C 54 47.440 50.275 -2.835 1
1 478 . 2 1 1 A 54 54 ALA CB C 54 19.810 20.507 -0.697 1
1 479 . 2 1 1 A 54 54 ALA N N 54 126.530 130.630 -4.100 1
1 480 . 2 1 1 A 55 55 VAL H H 55 9.010 8.695 0.315 1
1 481 . 2 1 1 A 55 55 VAL HA H 55 4.830 5.257 -0.427 1
1 489 . 2 1 1 A 55 55 VAL CA C 55 58.430 59.805 -1.375 1
1 490 . 2 1 1 A 55 55 VAL CB C 55 31.020 33.777 -2.757 1
1 493 . 2 1 1 A 55 55 VAL N N 55 119.590 118.802 0.788 1
1 494 . 2 1 1 A 56 56 GLU H H 56 9.270 9.029 0.241 1
1 495 . 2 1 1 A 56 56 GLU HA H 56 4.690 5.314 -0.624 1
1 500 . 2 1 1 A 56 56 GLU CA C 56 52.000 55.255 -3.255 1
1 501 . 2 1 1 A 56 56 GLU CB C 56 31.050 33.843 -2.793 1
1 503 . 2 1 1 A 56 56 GLU N N 56 127.360 124.284 3.076 1
1 504 . 2 1 1 A 57 57 GLY H H 57 8.620 8.329 0.291 1
1 505 . 2 1 1 A 57 57 GLY N N 57 108.540 111.314 -2.774 1
1 506 . 2 1 1 A 58 58 PRO HA H 58 4.480 4.346 0.134 1
1 513 . 2 1 1 A 58 58 PRO CA C 58 61.850 64.411 -2.561 1
1 514 . 2 1 1 A 58 58 PRO CB C 58 29.820 32.174 -2.354 1
1 517 . 2 1 1 A 59 59 SER H H 59 7.200 7.763 -0.563 1
1 518 . 2 1 1 A 59 59 SER HA H 59 4.620 4.908 -0.288 1
1 521 . 2 1 1 A 59 59 SER CA C 59 55.050 56.652 -1.602 1
1 522 . 2 1 1 A 59 59 SER CB C 59 63.650 66.780 -3.130 1
1 523 . 2 1 1 A 59 59 SER N N 59 106.970 108.735 -1.765 1
1 524 . 2 1 1 A 60 60 LYS H H 60 8.570 8.488 0.082 1
1 525 . 2 1 1 A 60 60 LYS HA H 60 4.000 4.844 -0.844 1
1 534 . 2 1 1 A 60 60 LYS CA C 60 54.090 55.546 -1.456 1
1 535 . 2 1 1 A 60 60 LYS CB C 60 30.480 33.264 -2.784 1
1 539 . 2 1 1 A 60 60 LYS N N 60 118.890 119.616 -0.726 1
1 540 . 2 1 1 A 61 61 ALA H H 61 8.830 8.714 0.116 1
1 541 . 2 1 1 A 61 61 ALA HA H 61 4.930 4.381 0.549 1
1 545 . 2 1 1 A 61 61 ALA CA C 61 47.980 52.311 -4.331 1
1 546 . 2 1 1 A 61 61 ALA CB C 61 17.500 18.968 -1.468 1
1 547 . 2 1 1 A 61 61 ALA N N 61 127.130 128.674 -1.544 1
1 548 . 2 1 1 A 62 62 GLU H H 62 8.440 8.385 0.055 1
1 549 . 2 1 1 A 62 62 GLU HA H 62 4.610 4.483 0.127 1
1 554 . 2 1 1 A 62 62 GLU CA C 62 52.800 55.800 -3.000 1
1 555 . 2 1 1 A 62 62 GLU CB C 62 27.620 28.034 -0.414 1
1 557 . 2 1 1 A 62 62 GLU N N 62 121.980 123.752 -1.772 1
1 558 . 2 1 1 A 63 63 ILE H H 63 8.710 8.841 -0.131 1
1 559 . 2 1 1 A 63 63 ILE HA H 63 4.710 4.381 0.329 1
1 569 . 2 1 1 A 63 63 ILE CA C 63 58.480 62.236 -3.756 1
1 570 . 2 1 1 A 63 63 ILE CB C 63 37.820 38.477 -0.657 1
1 574 . 2 1 1 A 63 63 ILE N N 63 125.400 124.354 1.046 1
1 575 . 2 1 1 A 64 64 ALA H H 64 9.350 8.729 0.621 1
1 576 . 2 1 1 A 64 64 ALA HA H 64 5.400 4.920 0.480 1
1 580 . 2 1 1 A 64 64 ALA CA C 64 47.440 51.449 -4.009 1
1 581 . 2 1 1 A 64 64 ALA CB C 64 19.750 22.625 -2.875 1
1 582 . 2 1 1 A 64 64 ALA N N 64 130.180 126.139 4.041 1
1 583 . 2 1 1 A 65 65 PHE H H 65 8.120 8.405 -0.285 1
1 584 . 2 1 1 A 65 65 PHE HA H 65 5.410 5.170 0.240 1
1 587 . 2 1 1 A 65 65 PHE CA C 65 53.210 55.712 -2.502 1
1 588 . 2 1 1 A 65 65 PHE CB C 65 40.490 40.228 0.262 1
1 589 . 2 1 1 A 65 65 PHE N N 65 115.800 119.740 -3.940 1
1 590 . 2 1 1 A 66 66 GLU H H 66 8.360 9.488 -1.128 1
1 591 . 2 1 1 A 66 66 GLU HA H 66 4.700 4.830 -0.130 1
1 596 . 2 1 1 A 66 66 GLU CA C 66 52.100 55.084 -2.984 1
1 597 . 2 1 1 A 66 66 GLU CB C 66 30.280 33.012 -2.732 1
1 599 . 2 1 1 A 66 66 GLU N N 66 120.390 121.781 -1.391 1
1 600 . 2 1 1 A 67 67 ASP H H 67 8.880 8.927 -0.047 1
1 601 . 2 1 1 A 67 67 ASP HA H 67 5.120 5.047 0.073 1
1 604 . 2 1 1 A 67 67 ASP CA C 67 51.070 53.346 -2.276 1
1 605 . 2 1 1 A 67 67 ASP CB C 67 38.310 41.380 -3.070 1
1 606 . 2 1 1 A 67 67 ASP N N 67 124.860 126.442 -1.582 1
1 607 . 2 1 1 A 68 68 ARG H H 68 8.330 8.692 -0.362 1
1 608 . 2 1 1 A 68 68 ARG HA H 68 4.170 4.428 -0.258 1
1 613 . 2 1 1 A 68 68 ARG CA C 68 54.170 56.588 -2.418 1
1 614 . 2 1 1 A 68 68 ARG CB C 68 27.740 31.048 -3.308 1
1 615 . 2 1 1 A 68 68 ARG N N 68 125.010 123.614 1.396 1
1 616 . 2 1 1 A 69 69 LYS H H 69 7.980 7.713 0.267 1
1 617 . 2 1 1 A 69 69 LYS HA H 69 4.030 4.492 -0.462 1
1 626 . 2 1 1 A 69 69 LYS CA C 69 55.530 55.203 0.327 1
1 627 . 2 1 1 A 69 69 LYS CB C 69 26.220 33.621 -7.401 1
1 631 . 2 1 1 A 69 69 LYS N N 69 118.110 116.890 1.220 1
1 632 . 2 1 1 A 70 70 ASP H H 70 7.930 8.290 -0.360 1
1 633 . 2 1 1 A 70 70 ASP HA H 70 4.330 4.437 -0.107 1
1 636 . 2 1 1 A 70 70 ASP CA C 70 52.540 55.603 -3.063 1
1 637 . 2 1 1 A 70 70 ASP CB C 70 40.020 40.491 -0.471 1
1 638 . 2 1 1 A 70 70 ASP N N 70 116.380 117.754 -1.374 1
1 639 . 2 1 1 A 71 71 GLY H H 71 9.080 8.385 0.695 1
1 640 . 2 1 1 A 71 71 GLY HA2 H 71 4.200 3.983 0.217 1
1 641 . 2 1 1 A 71 71 GLY HA3 H 71 3.630 4.223 -0.593 1
1 642 . 2 1 1 A 71 71 GLY CA C 71 42.480 45.514 -3.034 1
1 643 . 2 1 1 A 71 71 GLY N N 71 108.240 106.925 1.315 1
1 644 . 2 1 1 A 72 72 SER H H 72 8.400 7.907 0.493 1
1 645 . 2 1 1 A 72 72 SER HA H 72 5.470 4.997 0.473 1
1 648 . 2 1 1 A 72 72 SER CA C 72 54.440 57.074 -2.634 1
1 649 . 2 1 1 A 72 72 SER CB C 72 65.130 64.683 0.447 1
1 650 . 2 1 1 A 72 72 SER N N 72 116.980 116.599 0.381 1
1 651 . 2 1 1 A 73 73 CYS H H 73 8.810 9.525 -0.715 1
1 652 . 2 1 1 A 73 73 CYS HA H 73 5.210 4.801 0.409 1
1 655 . 2 1 1 A 73 73 CYS CA C 73 53.240 57.480 -4.240 1
1 656 . 2 1 1 A 73 73 CYS CB C 73 28.520 27.512 1.008 1
1 657 . 2 1 1 A 73 73 CYS N N 73 114.140 126.878 -12.738 1
1 658 . 2 1 1 A 74 74 GLY H H 74 8.880 8.708 0.172 1
1 659 . 2 1 1 A 74 74 GLY HA2 H 74 4.540 3.982 0.558 1
1 660 . 2 1 1 A 74 74 GLY HA3 H 74 3.610 4.017 -0.407 1
1 661 . 2 1 1 A 74 74 GLY CA C 74 41.630 45.291 -3.661 1
1 662 . 2 1 1 A 74 74 GLY N N 74 110.010 113.411 -3.401 1
1 663 . 2 1 1 A 75 75 VAL H H 75 8.480 8.657 -0.177 1
1 664 . 2 1 1 A 75 75 VAL HA H 75 4.550 4.670 -0.120 1
1 672 . 2 1 1 A 75 75 VAL CA C 75 57.860 60.864 -3.004 1
1 673 . 2 1 1 A 75 75 VAL CB C 75 30.530 31.617 -1.087 1
1 676 . 2 1 1 A 75 75 VAL N N 75 122.510 126.372 -3.862 1
1 677 . 2 1 1 A 76 76 SER H H 76 8.700 9.468 -0.768 1
1 678 . 2 1 1 A 76 76 SER HA H 76 5.540 5.039 0.501 1
1 681 . 2 1 1 A 76 76 SER CA C 76 53.360 57.868 -4.508 1
1 682 . 2 1 1 A 76 76 SER CB C 76 63.190 64.110 -0.920 1
1 683 . 2 1 1 A 76 76 SER N N 76 118.910 123.836 -4.926 1
1 684 . 2 1 1 A 77 77 TYR H H 77 8.960 9.569 -0.609 1
1 685 . 2 1 1 A 77 77 TYR HA H 77 4.420 6.021 -1.601 1
1 688 . 2 1 1 A 77 77 TYR CA C 77 52.780 55.582 -2.802 1
1 689 . 2 1 1 A 77 77 TYR CB C 77 39.950 41.927 -1.977 1
1 690 . 2 1 1 A 77 77 TYR N N 77 118.060 121.802 -3.742 1
1 691 . 2 1 1 A 78 78 VAL H H 78 8.160 9.003 -0.843 1
1 692 . 2 1 1 A 78 78 VAL HA H 78 4.320 4.267 0.053 1
1 700 . 2 1 1 A 78 78 VAL CA C 78 57.510 61.251 -3.741 1
1 701 . 2 1 1 A 78 78 VAL CB C 78 32.620 32.343 0.277 1
1 704 . 2 1 1 A 78 78 VAL N N 78 116.800 123.605 -6.805 1
1 705 . 2 1 1 A 79 79 VAL H H 79 8.730 8.123 0.607 1
1 706 . 2 1 1 A 79 79 VAL HA H 79 4.760 4.309 0.451 1
1 714 . 2 1 1 A 79 79 VAL CA C 79 55.750 60.810 -5.060 1
1 715 . 2 1 1 A 79 79 VAL CB C 79 30.530 33.701 -3.171 1
1 718 . 2 1 1 A 79 79 VAL N N 79 119.730 127.226 -7.496 1
1 719 . 2 1 1 A 80 80 GLN H H 80 8.030 9.003 -0.973 1
1 720 . 2 1 1 A 80 80 GLN HA H 80 4.240 4.440 -0.200 1
1 725 . 2 1 1 A 80 80 GLN CA C 80 53.910 56.970 -3.060 1
1 726 . 2 1 1 A 80 80 GLN CB C 80 27.130 30.546 -3.416 1
1 728 . 2 1 1 A 80 80 GLN N N 80 116.150 122.115 -5.965 1
1 729 . 2 1 1 A 81 81 GLU H H 81 7.070 8.063 -0.993 1
1 730 . 2 1 1 A 81 81 GLU HA H 81 5.010 4.781 0.229 1
1 735 . 2 1 1 A 81 81 GLU CA C 81 49.600 53.236 -3.636 1
1 736 . 2 1 1 A 81 81 GLU CB C 81 29.410 32.300 -2.890 1
1 738 . 2 1 1 A 81 81 GLU N N 81 113.990 116.644 -2.654 1
1 739 . 2 1 1 A 82 82 PRO HA H 82 5.040 4.382 0.658 1
1 746 . 2 1 1 A 82 82 PRO CA C 82 59.910 63.770 -3.860 1
1 747 . 2 1 1 A 82 82 PRO CB C 82 29.280 32.424 -3.144 1
1 750 . 2 1 1 A 83 83 GLY H H 83 8.840 7.787 1.053 1
1 751 . 2 1 1 A 83 83 GLY CA C 83 41.780 44.397 -2.617 1
1 752 . 2 1 1 A 83 83 GLY N N 83 104.910 107.605 -2.695 1
1 753 . 2 1 1 A 84 84 ASP H H 84 8.250 8.431 -0.181 1
1 754 . 2 1 1 A 84 84 ASP HA H 84 5.260 5.162 0.098 1
1 757 . 2 1 1 A 84 84 ASP CA C 84 51.540 52.903 -1.363 1
1 758 . 2 1 1 A 84 84 ASP CB C 84 38.700 40.688 -1.988 1
1 759 . 2 1 1 A 84 84 ASP N N 84 118.800 118.668 0.132 1
1 760 . 2 1 1 A 85 85 TYR H H 85 8.810 8.454 0.356 1
1 761 . 2 1 1 A 85 85 TYR HA H 85 3.970 4.915 -0.945 1
1 764 . 2 1 1 A 85 85 TYR CA C 85 53.930 59.360 -5.430 1
1 765 . 2 1 1 A 85 85 TYR CB C 85 37.760 39.393 -1.633 1
1 766 . 2 1 1 A 85 85 TYR N N 85 121.630 125.404 -3.774 1
1 767 . 2 1 1 A 86 86 GLU H H 86 9.320 9.036 0.284 1
1 768 . 2 1 1 A 86 86 GLU HA H 86 5.260 5.224 0.036 1
1 773 . 2 1 1 A 86 86 GLU CA C 86 52.350 55.137 -2.787 1
1 774 . 2 1 1 A 86 86 GLU CB C 86 30.070 31.876 -1.806 1
1 776 . 2 1 1 A 86 86 GLU N N 86 120.420 123.351 -2.931 1
1 777 . 2 1 1 A 87 87 VAL H H 87 9.810 8.118 1.692 1
1 778 . 2 1 1 A 87 87 VAL HA H 87 4.990 4.967 0.023 1
1 786 . 2 1 1 A 87 87 VAL CA C 87 58.590 59.168 -0.578 1
1 787 . 2 1 1 A 87 87 VAL CB C 87 30.210 34.914 -4.704 1
1 790 . 2 1 1 A 87 87 VAL N N 87 129.200 122.524 6.676 1
1 791 . 2 1 1 A 88 88 SER H H 88 9.560 8.482 1.078 1
1 792 . 2 1 1 A 88 88 SER HA H 88 5.170 5.499 -0.329 1
1 795 . 2 1 1 A 88 88 SER CA C 88 55.170 56.950 -1.780 1
1 796 . 2 1 1 A 88 88 SER CB C 88 62.790 65.047 -2.257 1
1 797 . 2 1 1 A 88 88 SER N N 88 121.730 122.201 -0.471 1
1 798 . 2 1 1 A 89 89 ILE H H 89 9.570 9.589 -0.019 1
1 799 . 2 1 1 A 89 89 ILE HA H 89 4.920 5.394 -0.474 1
1 809 . 2 1 1 A 89 89 ILE CA C 89 57.020 58.871 -1.851 1
1 810 . 2 1 1 A 89 89 ILE CB C 89 38.120 40.494 -2.374 1
1 814 . 2 1 1 A 89 89 ILE N N 89 125.650 122.045 3.605 1
1 815 . 2 1 1 A 90 90 LYS H H 90 8.760 8.583 0.177 1
1 816 . 2 1 1 A 90 90 LYS HA H 90 5.130 5.370 -0.240 1
1 825 . 2 1 1 A 90 90 LYS CA C 90 50.980 54.739 -3.759 1
1 826 . 2 1 1 A 90 90 LYS CB C 90 33.850 36.000 -2.150 1
1 830 . 2 1 1 A 90 90 LYS N N 90 122.170 123.841 -1.671 1
1 831 . 2 1 1 A 91 91 PHE H H 91 9.040 8.416 0.624 1
1 832 . 2 1 1 A 91 91 PHE HA H 91 5.330 4.660 0.670 1
1 835 . 2 1 1 A 91 91 PHE CA C 91 53.190 57.429 -4.239 1
1 836 . 2 1 1 A 91 91 PHE CB C 91 40.200 39.559 0.641 1
1 837 . 2 1 1 A 91 91 PHE N N 91 120.990 125.497 -4.507 1
1 838 . 2 1 1 A 92 92 ASN H H 92 9.210 10.163 -0.953 1
1 839 . 2 1 1 A 92 92 ASN HA H 92 4.220 4.184 0.036 1
1 842 . 2 1 1 A 92 92 ASN CA C 92 51.480 53.895 -2.415 1
1 843 . 2 1 1 A 92 92 ASN CB C 92 33.610 36.895 -3.285 1
1 844 . 2 1 1 A 92 92 ASN N N 92 127.010 125.247 1.763 1
1 845 . 2 1 1 A 93 93 ASP H H 93 8.760 8.479 0.281 1
1 846 . 2 1 1 A 93 93 ASP HA H 93 3.970 4.162 -0.192 1
1 849 . 2 1 1 A 93 93 ASP CA C 93 53.920 55.975 -2.055 1
1 850 . 2 1 1 A 93 93 ASP CB C 93 38.060 39.120 -1.060 1
1 851 . 2 1 1 A 93 93 ASP N N 93 107.220 110.628 -3.408 1
1 852 . 2 1 1 A 94 94 GLU H H 94 7.500 8.006 -0.506 1
1 853 . 2 1 1 A 94 94 GLU HA H 94 4.700 4.574 0.126 1
1 857 . 2 1 1 A 94 94 GLU CA C 94 51.940 55.519 -3.579 1
1 858 . 2 1 1 A 94 94 GLU CB C 94 29.680 30.055 -0.375 1
1 860 . 2 1 1 A 94 94 GLU N N 94 117.830 117.509 0.321 1
1 861 . 2 1 1 A 95 95 HIS H H 95 8.770 8.435 0.335 1
1 862 . 2 1 1 A 95 95 HIS HA H 95 4.480 4.709 -0.229 1
1 865 . 2 1 1 A 95 95 HIS CA C 95 56.530 55.688 0.842 1
1 866 . 2 1 1 A 95 95 HIS CB C 95 29.690 29.830 -0.140 1
1 867 . 2 1 1 A 95 95 HIS N N 95 121.910 121.212 0.698 1
1 868 . 2 1 1 A 96 96 ILE H H 96 8.110 8.462 -0.352 1
1 869 . 2 1 1 A 96 96 ILE HA H 96 4.310 4.247 0.063 1
1 871 . 2 1 1 A 96 96 ILE CA C 96 57.520 60.169 -2.649 1
1 872 . 2 1 1 A 96 96 ILE CB C 96 32.720 37.738 -5.018 1
1 873 . 2 1 1 A 96 96 ILE N N 96 116.370 121.835 -5.465 1
1 874 . 2 1 1 A 97 97 PRO CA C 97 63.500 62.353 1.147 1
1 875 . 2 1 1 A 97 97 PRO CB C 97 28.690 29.549 -0.859 1
1 878 . 2 1 1 A 98 98 ASP H H 98 7.940 8.907 -0.967 1
1 879 . 2 1 1 A 98 98 ASP HA H 98 5.010 4.852 0.158 1
1 882 . 2 1 1 A 98 98 ASP CA C 98 54.510 55.315 -0.805 1
1 883 . 2 1 1 A 98 98 ASP CB C 98 37.760 43.765 -6.005 1
1 884 . 2 1 1 A 98 98 ASP N N 98 113.440 122.131 -8.691 1
1 885 . 2 1 1 A 99 99 SER H H 99 7.470 8.011 -0.541 1
1 886 . 2 1 1 A 99 99 SER HA H 99 4.230 4.624 -0.394 1
1 889 . 2 1 1 A 99 99 SER CA C 99 52.370 57.734 -5.364 1
1 890 . 2 1 1 A 99 99 SER CB C 99 60.430 63.602 -3.172 1
1 891 . 2 1 1 A 99 99 SER N N 99 110.680 116.130 -5.450 1
1 892 . 2 1 1 A 100 100 PRO HA H 100 4.550 5.028 -0.478 1
1 899 . 2 1 1 A 100 100 PRO CA C 100 59.920 62.321 -2.401 1
1 900 . 2 1 1 A 100 100 PRO CB C 100 31.880 31.838 0.042 1
1 903 . 2 1 1 A 101 101 PHE H H 101 9.270 7.641 1.629 1
1 904 . 2 1 1 A 101 101 PHE HA H 101 4.560 5.179 -0.619 1
1 907 . 2 1 1 A 101 101 PHE CA C 101 54.060 55.104 -1.044 1
1 908 . 2 1 1 A 101 101 PHE CB C 101 37.930 41.945 -4.015 1
1 909 . 2 1 1 A 101 101 PHE N N 101 119.180 118.559 0.621 1
1 910 . 2 1 1 A 102 102 VAL H H 102 8.760 8.461 0.299 1
1 911 . 2 1 1 A 102 102 VAL HA H 102 4.580 4.930 -0.350 1
1 919 . 2 1 1 A 102 102 VAL CA C 102 60.400 60.528 -0.128 1
1 920 . 2 1 1 A 102 102 VAL CB C 102 28.970 33.718 -4.748 1
1 923 . 2 1 1 A 102 102 VAL N N 102 123.120 120.429 2.691 1
1 924 . 2 1 1 A 103 103 VAL H H 103 9.520 9.841 -0.321 1
1 925 . 2 1 1 A 103 103 VAL HA H 103 4.390 4.795 -0.405 1
1 933 . 2 1 1 A 103 103 VAL CA C 103 57.200 59.351 -2.151 1
1 934 . 2 1 1 A 103 103 VAL CB C 103 32.060 33.355 -1.295 1
1 937 . 2 1 1 A 103 103 VAL N N 103 130.330 128.582 1.748 1
1 938 . 2 1 1 A 104 104 PRO HA H 104 4.370 4.736 -0.366 1
1 941 . 2 1 1 A 104 104 PRO CA C 104 60.240 62.968 -2.728 1
1 942 . 2 1 1 A 104 104 PRO CB C 104 29.660 31.857 -2.197 1
1 945 . 2 1 1 A 105 105 VAL H H 105 9.300 8.428 0.872 1
1 946 . 2 1 1 A 105 105 VAL HA H 105 4.300 4.709 -0.409 1
1 954 . 2 1 1 A 105 105 VAL CA C 105 59.210 61.788 -2.578 1
1 955 . 2 1 1 A 105 105 VAL CB C 105 28.840 33.113 -4.273 1
1 958 . 2 1 1 A 105 105 VAL N N 105 126.320 124.421 1.899 1
1 959 . 2 1 1 A 106 106 ALA H H 106 8.360 9.989 -1.629 1
1 960 . 2 1 1 A 106 106 ALA HA H 106 4.660 5.265 -0.605 1
1 964 . 2 1 1 A 106 106 ALA CA C 106 48.340 50.210 -1.870 1
1 965 . 2 1 1 A 106 106 ALA CB C 106 18.960 21.570 -2.610 1
1 966 . 2 1 1 A 106 106 ALA N N 106 130.550 129.646 0.904 1
1 967 . 2 1 1 A 107 107 SER H H 107 8.590 8.860 -0.270 1
1 968 . 2 1 1 A 107 107 SER HA H 107 4.490 4.760 -0.270 1
1 971 . 2 1 1 A 107 107 SER CA C 107 55.570 57.248 -1.678 1
1 972 . 2 1 1 A 107 107 SER CB C 107 61.760 64.150 -2.390 1
1 973 . 2 1 1 A 107 107 SER N N 107 112.340 119.345 -7.005 1
1 974 . 2 1 1 A 108 108 LEU H H 108 8.660 8.934 -0.274 1
1 975 . 2 1 1 A 108 108 LEU HA H 108 4.300 3.932 0.368 1
1 985 . 2 1 1 A 108 108 LEU CA C 108 53.250 56.978 -3.728 1
1 986 . 2 1 1 A 108 108 LEU CB C 108 39.650 40.029 -0.379 1
1 990 . 2 1 1 A 108 108 LEU N N 108 123.200 128.005 -4.805 1
1 991 . 2 1 1 A 109 109 SER H H 109 8.210 8.273 -0.063 1
1 992 . 2 1 1 A 109 109 SER HA H 109 4.370 4.343 0.027 1
1 995 . 2 1 1 A 109 109 SER CA C 109 55.810 61.071 -5.261 1
1 996 . 2 1 1 A 109 109 SER CB C 109 61.240 63.667 -2.427 1
1 997 . 2 1 1 A 109 109 SER N N 109 114.710 115.084 -0.374 1
1 998 . 2 1 1 A 110 110 ASP H H 110 8.240 8.051 0.189 1
1 999 . 2 1 1 A 110 110 ASP HA H 110 4.500 4.391 0.109 1
1 1002 . 2 1 1 A 110 110 ASP CA C 110 52.740 55.648 -2.908 1
1 1003 . 2 1 1 A 110 110 ASP CB C 110 38.260 39.458 -1.198 1
1 1004 . 2 1 1 A 110 110 ASP N N 110 121.030 118.986 2.044 1
1 1005 . 2 1 1 A 111 111 ASP H H 111 8.210 7.975 0.235 1
1 1006 . 2 1 1 A 111 111 ASP HA H 111 4.500 4.895 -0.395 1
1 1009 . 2 1 1 A 111 111 ASP CA C 111 52.770 54.865 -2.095 1
1 1010 . 2 1 1 A 111 111 ASP CB C 111 38.290 44.119 -5.829 1
1 1011 . 2 1 1 A 111 111 ASP N N 111 118.910 118.549 0.361 1
1 1012 . 2 1 1 A 112 112 ALA H H 112 8.050 8.418 -0.368 1
1 1013 . 2 1 1 A 112 112 ALA HA H 112 4.170 4.161 0.009 1
1 1017 . 2 1 1 A 112 112 ALA CA C 112 50.710 54.288 -3.578 1
1 1018 . 2 1 1 A 112 112 ALA CB C 112 16.110 18.088 -1.978 1
1 1019 . 2 1 1 A 112 112 ALA N N 112 121.600 120.636 0.964 1
1 1020 . 2 1 1 A 113 113 ARG H H 113 7.960 8.652 -0.692 1
1 1021 . 2 1 1 A 113 113 ARG HA H 113 4.030 4.392 -0.362 1
1 1027 . 2 1 1 A 113 113 ARG CA C 113 55.200 55.993 -0.793 1
1 1028 . 2 1 1 A 113 113 ARG CB C 113 27.730 30.476 -2.746 1
1 1031 . 2 1 1 A 113 113 ARG N N 113 116.640 121.344 -4.704 1
1 1032 . 2 1 1 A 114 114 ARG H H 114 7.930 8.883 -0.953 1
1 1033 . 2 1 1 A 114 114 ARG HA H 114 4.000 4.310 -0.310 1
1 1040 . 2 1 1 A 114 114 ARG CA C 114 53.940 57.482 -3.542 1
1 1041 . 2 1 1 A 114 114 ARG CB C 114 30.550 30.361 0.189 1
1 1044 . 2 1 1 A 114 114 ARG N N 114 116.380 126.468 -10.088 1
1 1045 . 2 1 1 A 115 115 LEU H H 115 8.000 7.608 0.392 1
1 1046 . 2 1 1 A 115 115 LEU HA H 115 4.320 4.384 -0.064 1
1 1056 . 2 1 1 A 115 115 LEU CA C 115 52.870 55.729 -2.859 1
1 1057 . 2 1 1 A 115 115 LEU CB C 115 39.640 43.966 -4.326 1
1 1061 . 2 1 1 A 115 115 LEU N N 115 120.260 119.347 0.913 1
1 1062 . 2 1 1 A 116 116 THR H H 116 7.970 7.816 0.154 1
1 1063 . 2 1 1 A 116 116 THR HA H 116 4.390 4.328 0.062 1
1 1068 . 2 1 1 A 116 116 THR CA C 116 59.270 64.508 -5.238 1
1 1069 . 2 1 1 A 116 116 THR CB C 116 67.420 69.300 -1.880 1
1 1071 . 2 1 1 A 116 116 THR N N 116 113.250 112.755 0.495 1
1 1072 . 2 1 1 A 117 117 VAL H H 117 8.070 8.105 -0.035 1
1 1073 . 2 1 1 A 117 117 VAL HA H 117 4.330 3.960 0.370 1
1 1078 . 2 1 1 A 117 117 VAL CA C 117 60.230 65.335 -5.105 1
1 1079 . 2 1 1 A 117 117 VAL CB C 117 30.360 31.799 -1.439 1
1 1081 . 2 1 1 A 117 117 VAL N N 117 120.990 119.545 1.445 1
1 1082 . 2 1 1 A 118 118 THR H H 118 8.210 7.892 0.318 1
1 1083 . 2 1 1 A 118 118 THR HA H 118 4.380 3.964 0.416 1
1 1088 . 2 1 1 A 118 118 THR CA C 118 58.770 63.070 -4.300 1
1 1089 . 2 1 1 A 118 118 THR CB C 118 67.420 67.639 -0.219 1
1 1091 . 2 1 1 A 118 118 THR N N 118 116.420 116.353 0.067 1
1 1098 . 2 2 2 B 6 6 GLU H H 6 8.780 8.354 0.426 1
1 1099 . 2 2 2 B 6 6 GLU HA H 6 4.160 4.561 -0.401 1
1 1104 . 2 2 2 B 8 8 ARG H H 8 8.200 8.441 -0.241 1
1 1105 . 2 2 2 B 8 8 ARG HA H 8 4.210 4.392 -0.182 1
1 1111 . 2 2 2 B 9 9 VAL H H 9 9.000 8.340 0.660 1
1 1112 . 2 2 2 B 9 9 VAL HA H 9 4.070 4.073 -0.003 1
1 1123 . 2 2 2 B 11 11 SER H H 11 8.490 8.782 -0.292 1
1 1126 . 2 2 2 B 12 12 SER HA H 12 4.410 5.291 -0.881 1
1 1129 . 2 2 2 B 13 13 VAL H H 13 8.800 8.673 0.127 1
1 1130 . 2 2 2 B 13 13 VAL HA H 13 4.010 4.767 -0.757 1
1 1138 . 2 2 2 B 14 14 PHE HA H 14 4.620 5.114 -0.494 1
1 1143 . 2 2 2 B 15 15 ILE H H 15 8.710 8.830 -0.120 1
1 1144 . 2 2 2 B 15 15 ILE HA H 15 4.140 4.704 -0.564 1
1 1154 . 2 2 2 B 16 16 THR HA H 16 4.220 5.152 -0.932 1
1 1159 . 2 2 2 B 17 17 LEU H H 17 8.270 8.815 -0.545 1
1 1160 . 2 2 2 B 17 17 LEU HA H 17 4.130 5.110 -0.980 1
1 1170 . 2 2 2 B 18 18 ALA HA H 18 4.500 4.795 -0.295 1
1 4 . 3 1 1 A 2 2 ILE H H 2 8.800 8.444 0.356 1
1 5 . 3 1 1 A 2 2 ILE N N 2 126.630 115.653 10.977 1
1 6 . 3 1 1 A 3 3 PRO HA H 3 4.360 4.144 0.216 1
1 13 . 3 1 1 A 3 3 PRO CA C 3 60.670 66.198 -5.528 1
1 14 . 3 1 1 A 3 3 PRO CB C 3 29.390 31.203 -1.813 1
1 17 . 3 1 1 A 4 4 GLU H H 4 8.270 8.183 0.087 1
1 18 . 3 1 1 A 4 4 GLU HA H 4 4.360 4.216 0.144 1
1 23 . 3 1 1 A 4 4 GLU CA C 4 53.690 58.141 -4.451 1
1 24 . 3 1 1 A 4 4 GLU CB C 4 29.430 29.478 -0.048 1
1 26 . 3 1 1 A 4 4 GLU N N 4 119.290 118.539 0.751 1
1 27 . 3 1 1 A 5 5 PHE H H 5 8.810 8.090 0.720 1
1 28 . 3 1 1 A 5 5 PHE N N 5 126.600 115.802 10.798 1
1 29 . 3 1 1 A 6 6 PHE H H 6 8.070 8.451 -0.381 1
1 30 . 3 1 1 A 6 6 PHE HA H 6 4.650 4.492 0.158 1
1 33 . 3 1 1 A 6 6 PHE CA C 6 54.920 58.945 -4.025 1
1 34 . 3 1 1 A 6 6 PHE CB C 6 37.190 39.303 -2.113 1
1 35 . 3 1 1 A 6 6 PHE N N 6 120.380 118.734 1.646 1
1 36 . 3 1 1 A 7 7 GLN H H 7 7.980 9.157 -1.177 1
1 37 . 3 1 1 A 7 7 GLN HA H 7 4.430 4.320 0.110 1
1 42 . 3 1 1 A 7 7 GLN CA C 7 54.860 57.328 -2.468 1
1 43 . 3 1 1 A 7 7 GLN CB C 7 26.570 28.492 -1.922 1
1 45 . 3 1 1 A 7 7 GLN N N 7 119.930 119.316 0.614 1
1 46 . 3 1 1 A 8 8 PHE H H 8 8.030 8.149 -0.119 1
1 47 . 3 1 1 A 8 8 PHE HA H 8 4.630 4.877 -0.247 1
1 50 . 3 1 1 A 8 8 PHE CA C 8 55.020 59.105 -4.085 1
1 51 . 3 1 1 A 8 8 PHE CB C 8 36.840 41.877 -5.037 1
1 52 . 3 1 1 A 8 8 PHE N N 8 119.560 119.276 0.284 1
1 53 . 3 1 1 A 9 9 THR H H 9 8.040 8.191 -0.151 1
1 54 . 3 1 1 A 9 9 THR HA H 9 4.300 4.465 -0.165 1
1 59 . 3 1 1 A 9 9 THR CA C 9 59.410 62.444 -3.034 1
1 60 . 3 1 1 A 9 9 THR CB C 9 67.440 68.985 -1.545 1
1 62 . 3 1 1 A 9 9 THR N N 9 114.650 112.689 1.961 1
1 63 . 3 1 1 A 10 10 VAL H H 10 8.070 8.069 0.001 1
1 64 . 3 1 1 A 10 10 VAL HA H 10 4.210 3.892 0.318 1
1 72 . 3 1 1 A 10 10 VAL CA C 10 59.470 64.904 -5.434 1
1 73 . 3 1 1 A 10 10 VAL CB C 10 30.180 32.556 -2.376 1
1 75 . 3 1 1 A 10 10 VAL N N 10 120.380 121.922 -1.542 1
1 76 . 3 1 1 A 11 11 GLY H H 11 8.200 7.668 0.532 1
1 77 . 3 1 1 A 11 11 GLY HA2 H 11 4.090 4.031 0.059 1
1 78 . 3 1 1 A 11 11 GLY HA3 H 11 4.000 4.035 -0.035 1
1 79 . 3 1 1 A 11 11 GLY CA C 11 41.420 45.536 -4.116 1
1 80 . 3 1 1 A 11 11 GLY N N 11 110.910 109.240 1.670 1
1 81 . 3 1 1 A 12 12 PRO HA H 12 4.360 4.568 -0.208 1
1 88 . 3 1 1 A 12 12 PRO CA C 12 60.590 63.299 -2.709 1
1 89 . 3 1 1 A 12 12 PRO CB C 12 33.600 31.239 2.361 1
1 92 . 3 1 1 A 13 13 LEU H H 13 8.360 8.876 -0.516 1
1 93 . 3 1 1 A 13 13 LEU HA H 13 4.340 3.878 0.462 1
1 103 . 3 1 1 A 13 13 LEU CA C 13 52.800 55.274 -2.474 1
1 104 . 3 1 1 A 13 13 LEU CB C 13 39.650 39.383 0.267 1
1 108 . 3 1 1 A 13 13 LEU N N 13 120.390 119.197 1.193 1
1 109 . 3 1 1 A 14 14 GLY H H 14 8.240 8.339 -0.099 1
1 110 . 3 1 1 A 14 14 GLY HA2 H 14 3.960 3.899 0.061 1
1 111 . 3 1 1 A 14 14 GLY HA3 H 14 3.660 3.917 -0.257 1
1 112 . 3 1 1 A 14 14 GLY CA C 14 40.240 45.243 -5.003 1
1 113 . 3 1 1 A 14 14 GLY N N 14 107.860 108.056 -0.196 1
1 114 . 3 1 1 A 15 15 GLU H H 15 8.250 9.086 -0.836 1
1 115 . 3 1 1 A 15 15 GLU HA H 15 4.360 4.036 0.324 1
1 120 . 3 1 1 A 15 15 GLU CA C 15 53.920 57.604 -3.684 1
1 121 . 3 1 1 A 15 15 GLU CB C 15 27.800 28.884 -1.084 1
1 123 . 3 1 1 A 15 15 GLU N N 15 118.800 119.649 -0.849 1
1 124 . 3 1 1 A 16 16 GLY H H 16 8.460 8.669 -0.209 1
1 125 . 3 1 1 A 16 16 GLY HA2 H 16 3.960 4.027 -0.067 1
1 126 . 3 1 1 A 16 16 GLY HA3 H 16 3.880 4.051 -0.171 1
1 127 . 3 1 1 A 16 16 GLY CA C 16 42.490 44.886 -2.396 1
1 128 . 3 1 1 A 16 16 GLY N N 16 108.190 107.115 1.075 1
1 129 . 3 1 1 A 17 17 GLY H H 17 8.300 8.408 -0.108 1
1 130 . 3 1 1 A 17 17 GLY HA2 H 17 4.430 3.732 0.698 1
1 131 . 3 1 1 A 17 17 GLY HA3 H 17 3.780 3.987 -0.207 1
1 132 . 3 1 1 A 17 17 GLY CA C 17 42.550 45.423 -2.873 1
1 133 . 3 1 1 A 17 17 GLY N N 17 105.790 114.432 -8.642 1
1 134 . 3 1 1 A 18 18 ALA H H 18 8.800 7.938 0.862 1
1 135 . 3 1 1 A 18 18 ALA HA H 18 3.760 4.314 -0.554 1
1 139 . 3 1 1 A 18 18 ALA CA C 18 52.780 54.139 -1.359 1
1 140 . 3 1 1 A 18 18 ALA CB C 18 16.810 18.447 -1.637 1
1 141 . 3 1 1 A 18 18 ALA N N 18 120.770 123.974 -3.204 1
1 142 . 3 1 1 A 19 19 HIS H H 19 8.230 7.927 0.303 1
1 143 . 3 1 1 A 19 19 HIS HA H 19 4.410 4.330 0.080 1
1 146 . 3 1 1 A 19 19 HIS CA C 19 54.740 57.529 -2.789 1
1 147 . 3 1 1 A 19 19 HIS CB C 19 26.240 30.468 -4.228 1
1 148 . 3 1 1 A 19 19 HIS N N 19 109.490 118.443 -8.953 1
1 149 . 3 1 1 A 20 20 LYS H H 20 7.570 8.832 -1.262 1
1 150 . 3 1 1 A 20 20 LYS HA H 20 4.170 4.059 0.111 1
1 159 . 3 1 1 A 20 20 LYS CA C 20 52.100 55.747 -3.647 1
1 160 . 3 1 1 A 20 20 LYS CB C 20 29.850 33.534 -3.684 1
1 164 . 3 1 1 A 20 20 LYS N N 20 115.920 112.868 3.052 1
1 165 . 3 1 1 A 21 21 VAL H H 21 7.460 7.439 0.021 1
1 166 . 3 1 1 A 21 21 VAL HA H 21 4.270 3.837 0.433 1
1 174 . 3 1 1 A 21 21 VAL CA C 21 60.730 61.759 -1.029 1
1 175 . 3 1 1 A 21 21 VAL CB C 21 29.340 32.086 -2.746 1
1 178 . 3 1 1 A 21 21 VAL N N 21 122.030 121.314 0.716 1
1 179 . 3 1 1 A 22 22 ARG H H 22 7.840 8.482 -0.642 1
1 180 . 3 1 1 A 22 22 ARG HA H 22 5.100 5.012 0.088 1
1 187 . 3 1 1 A 22 22 ARG CA C 22 51.230 54.275 -3.045 1
1 188 . 3 1 1 A 22 22 ARG CB C 22 31.930 32.891 -0.961 1
1 191 . 3 1 1 A 22 22 ARG N N 22 121.520 130.176 -8.656 1
1 192 . 3 1 1 A 23 23 ALA H H 23 8.920 8.789 0.131 1
1 193 . 3 1 1 A 23 23 ALA HA H 23 5.580 5.400 0.180 1
1 197 . 3 1 1 A 23 23 ALA CA C 23 47.810 51.402 -3.592 1
1 198 . 3 1 1 A 23 23 ALA CB C 23 21.660 21.455 0.205 1
1 199 . 3 1 1 A 23 23 ALA N N 23 123.300 127.224 -3.924 1
1 200 . 3 1 1 A 24 24 GLY H H 24 8.450 8.421 0.029 1
1 201 . 3 1 1 A 24 24 GLY HA2 H 24 4.200 4.354 -0.154 1
1 202 . 3 1 1 A 24 24 GLY HA3 H 24 4.160 4.370 -0.210 1
1 203 . 3 1 1 A 24 24 GLY CA C 24 43.560 44.957 -1.397 1
1 204 . 3 1 1 A 24 24 GLY N N 24 104.220 109.779 -5.559 1
1 205 . 3 1 1 A 25 25 GLY H H 25 8.770 8.386 0.384 1
1 206 . 3 1 1 A 25 25 GLY HA2 H 25 4.880 4.342 0.538 1
1 207 . 3 1 1 A 25 25 GLY HA3 H 25 4.050 4.422 -0.372 1
1 208 . 3 1 1 A 25 25 GLY CA C 25 42.110 45.922 -3.812 1
1 209 . 3 1 1 A 25 25 GLY N N 25 109.590 110.227 -0.637 1
1 210 . 3 1 1 A 26 26 THR H H 26 8.620 8.793 -0.173 1
1 211 . 3 1 1 A 26 26 THR HA H 26 4.030 4.129 -0.099 1
1 216 . 3 1 1 A 26 26 THR CA C 26 63.280 65.142 -1.862 1
1 217 . 3 1 1 A 26 26 THR CB C 26 65.990 69.057 -3.067 1
1 219 . 3 1 1 A 26 26 THR N N 26 113.050 113.437 -0.387 1
1 220 . 3 1 1 A 27 27 GLY H H 27 9.040 8.133 0.907 1
1 221 . 3 1 1 A 27 27 GLY HA2 H 27 4.270 4.199 0.071 1
1 222 . 3 1 1 A 27 27 GLY HA3 H 27 3.390 4.301 -0.911 1
1 223 . 3 1 1 A 27 27 GLY CA C 27 44.250 46.581 -2.331 1
1 224 . 3 1 1 A 27 27 GLY N N 27 105.190 111.641 -6.451 1
1 225 . 3 1 1 A 28 28 LEU H H 28 7.450 8.043 -0.593 1
1 226 . 3 1 1 A 28 28 LEU HA H 28 4.210 4.532 -0.322 1
1 236 . 3 1 1 A 28 28 LEU CA C 28 51.150 54.598 -3.448 1
1 237 . 3 1 1 A 28 28 LEU CB C 28 37.670 41.596 -3.926 1
1 241 . 3 1 1 A 28 28 LEU N N 28 114.980 119.970 -4.990 1
1 242 . 3 1 1 A 29 29 GLU H H 29 7.980 7.675 0.305 1
1 243 . 3 1 1 A 29 29 GLU HA H 29 4.540 4.539 0.001 1
1 248 . 3 1 1 A 29 29 GLU CA C 29 54.910 57.116 -2.206 1
1 249 . 3 1 1 A 29 29 GLU CB C 29 29.430 32.903 -3.473 1
1 251 . 3 1 1 A 29 29 GLU N N 29 117.810 117.973 -0.163 1
1 252 . 3 1 1 A 30 30 ARG H H 30 8.340 7.582 0.758 1
1 253 . 3 1 1 A 30 30 ARG HA H 30 4.720 4.723 -0.003 1
1 260 . 3 1 1 A 30 30 ARG CA C 30 53.350 55.018 -1.668 1
1 261 . 3 1 1 A 30 30 ARG CB C 30 29.440 32.823 -3.383 1
1 264 . 3 1 1 A 30 30 ARG N N 30 112.890 114.831 -1.941 1
1 265 . 3 1 1 A 31 31 GLY H H 31 8.100 8.053 0.047 1
1 266 . 3 1 1 A 31 31 GLY HA2 H 31 4.540 4.388 0.152 1
1 267 . 3 1 1 A 31 31 GLY HA3 H 31 3.610 4.389 -0.779 1
1 268 . 3 1 1 A 31 31 GLY CA C 31 41.630 45.471 -3.841 1
1 269 . 3 1 1 A 31 31 GLY N N 31 103.670 106.175 -2.505 1
1 270 . 3 1 1 A 32 32 VAL H H 32 9.410 8.395 1.015 1
1 271 . 3 1 1 A 32 32 VAL HA H 32 4.450 5.147 -0.697 1
1 279 . 3 1 1 A 32 32 VAL CA C 32 58.730 59.973 -1.243 1
1 280 . 3 1 1 A 32 32 VAL CB C 32 32.560 35.739 -3.179 1
1 283 . 3 1 1 A 32 32 VAL N N 32 122.160 120.129 2.031 1
1 284 . 3 1 1 A 33 33 ALA H H 33 8.560 8.508 0.052 1
1 285 . 3 1 1 A 33 33 ALA HA H 33 3.620 3.987 -0.367 1
1 289 . 3 1 1 A 33 33 ALA CA C 33 50.860 53.954 -3.094 1
1 290 . 3 1 1 A 33 33 ALA CB C 33 14.450 18.482 -4.032 1
1 291 . 3 1 1 A 33 33 ALA N N 33 129.490 129.334 0.156 1
1 292 . 3 1 1 A 34 34 GLY H H 34 8.590 8.795 -0.205 1
1 293 . 3 1 1 A 34 34 GLY HA2 H 34 4.320 3.855 0.465 1
1 294 . 3 1 1 A 34 34 GLY HA3 H 34 3.420 3.870 -0.450 1
1 295 . 3 1 1 A 34 34 GLY CA C 34 42.710 47.076 -4.366 1
1 296 . 3 1 1 A 34 34 GLY N N 34 106.900 111.690 -4.790 1
1 297 . 3 1 1 A 35 35 VAL H H 35 7.840 7.266 0.574 1
1 298 . 3 1 1 A 35 35 VAL HA H 35 4.450 4.374 0.076 1
1 306 . 3 1 1 A 35 35 VAL CA C 35 56.660 58.922 -2.262 1
1 307 . 3 1 1 A 35 35 VAL CB C 35 32.030 35.227 -3.197 1
1 310 . 3 1 1 A 35 35 VAL N N 35 121.520 119.257 2.263 1
1 311 . 3 1 1 A 36 36 PRO HA H 36 4.260 4.367 -0.107 1
1 318 . 3 1 1 A 36 36 PRO CA C 36 60.720 62.981 -2.261 1
1 319 . 3 1 1 A 36 36 PRO CB C 36 28.760 31.908 -3.148 1
1 322 . 3 1 1 A 37 37 ALA H H 37 8.920 7.903 1.017 1
1 323 . 3 1 1 A 37 37 ALA HA H 37 4.490 5.007 -0.517 1
1 327 . 3 1 1 A 37 37 ALA CA C 37 47.550 50.551 -3.001 1
1 328 . 3 1 1 A 37 37 ALA CB C 37 17.110 22.552 -5.442 1
1 329 . 3 1 1 A 37 37 ALA N N 37 129.160 125.462 3.698 1
1 330 . 3 1 1 A 38 38 GLU H H 38 8.470 9.179 -0.709 1
1 331 . 3 1 1 A 38 38 GLU HA H 38 4.330 5.412 -1.082 1
1 336 . 3 1 1 A 38 38 GLU CA C 38 52.150 54.893 -2.743 1
1 337 . 3 1 1 A 38 38 GLU CB C 38 31.010 33.960 -2.950 1
1 339 . 3 1 1 A 38 38 GLU N N 38 117.150 117.849 -0.699 1
1 340 . 3 1 1 A 39 39 PHE H H 39 8.870 8.060 0.810 1
1 341 . 3 1 1 A 39 39 PHE HA H 39 4.520 5.511 -0.991 1
1 344 . 3 1 1 A 39 39 PHE CA C 39 54.670 55.510 -0.840 1
1 345 . 3 1 1 A 39 39 PHE CB C 39 37.170 41.893 -4.723 1
1 346 . 3 1 1 A 39 39 PHE N N 39 115.740 117.624 -1.884 1
1 347 . 3 1 1 A 40 40 SER H H 40 8.870 8.565 0.305 1
1 348 . 3 1 1 A 40 40 SER HA H 40 5.420 5.399 0.021 1
1 351 . 3 1 1 A 40 40 SER CA C 40 54.890 57.343 -2.453 1
1 352 . 3 1 1 A 40 40 SER CB C 40 63.790 65.841 -2.051 1
1 353 . 3 1 1 A 40 40 SER N N 40 113.140 115.669 -2.529 1
1 354 . 3 1 1 A 41 41 ILE H H 41 8.410 8.971 -0.561 1
1 355 . 3 1 1 A 41 41 ILE HA H 41 4.670 5.166 -0.496 1
1 365 . 3 1 1 A 41 41 ILE CA C 41 57.640 60.550 -2.910 1
1 366 . 3 1 1 A 41 41 ILE CB C 41 38.260 40.821 -2.561 1
1 370 . 3 1 1 A 41 41 ILE N N 41 118.020 123.506 -5.486 1
1 371 . 3 1 1 A 42 42 TRP H H 42 9.580 8.698 0.882 1
1 372 . 3 1 1 A 42 42 TRP HA H 42 4.870 5.580 -0.710 1
1 375 . 3 1 1 A 42 42 TRP CA C 42 56.240 55.272 0.968 1
1 376 . 3 1 1 A 42 42 TRP CB C 42 27.690 32.503 -4.813 1
1 377 . 3 1 1 A 42 42 TRP N N 42 126.430 129.864 -3.434 1
1 378 . 3 1 1 A 43 43 THR H H 43 8.370 8.746 -0.376 1
1 379 . 3 1 1 A 43 43 THR HA H 43 3.800 4.413 -0.613 1
1 384 . 3 1 1 A 43 43 THR CA C 43 59.210 60.857 -1.647 1
1 385 . 3 1 1 A 43 43 THR CB C 43 67.070 71.087 -4.017 1
1 387 . 3 1 1 A 43 43 THR N N 43 112.460 121.379 -8.919 1
1 388 . 3 1 1 A 44 44 ARG HA H 44 3.910 4.706 -0.796 1
1 395 . 3 1 1 A 44 44 ARG CA C 44 57.190 54.753 2.437 1
1 396 . 3 1 1 A 44 44 ARG CB C 44 27.710 30.176 -2.466 1
1 399 . 3 1 1 A 45 45 GLU H H 45 8.260 8.320 -0.060 1
1 400 . 3 1 1 A 45 45 GLU HA H 45 4.160 4.606 -0.446 1
1 405 . 3 1 1 A 45 45 GLU CA C 45 54.510 57.959 -3.449 1
1 406 . 3 1 1 A 45 45 GLU CB C 45 27.510 32.346 -4.836 1
1 408 . 3 1 1 A 45 45 GLU N N 45 113.080 121.423 -8.343 1
1 409 . 3 1 1 A 46 46 ALA H H 46 7.550 8.215 -0.665 1
1 410 . 3 1 1 A 46 46 ALA HA H 46 3.870 4.143 -0.273 1
1 414 . 3 1 1 A 46 46 ALA CA C 46 50.350 54.478 -4.128 1
1 415 . 3 1 1 A 46 46 ALA CB C 46 18.120 19.544 -1.424 1
1 416 . 3 1 1 A 46 46 ALA N N 46 119.560 120.291 -0.731 1
1 417 . 3 1 1 A 47 47 GLY H H 47 7.450 7.352 0.098 1
1 418 . 3 1 1 A 47 47 GLY HA2 H 47 4.180 4.068 0.112 1
1 419 . 3 1 1 A 47 47 GLY HA3 H 47 3.630 4.077 -0.447 1
1 420 . 3 1 1 A 47 47 GLY CA C 47 41.940 45.422 -3.482 1
1 421 . 3 1 1 A 47 47 GLY N N 47 102.870 101.904 0.966 1
1 422 . 3 1 1 A 48 48 ALA H H 48 8.220 8.347 -0.127 1
1 423 . 3 1 1 A 48 48 ALA HA H 48 4.290 4.464 -0.174 1
1 427 . 3 1 1 A 48 48 ALA CA C 48 49.360 52.701 -3.341 1
1 428 . 3 1 1 A 48 48 ALA CB C 48 16.590 19.334 -2.744 1
1 429 . 3 1 1 A 48 48 ALA N N 48 120.390 123.615 -3.225 1
1 430 . 3 1 1 A 49 49 GLY H H 49 8.000 8.223 -0.223 1
1 431 . 3 1 1 A 49 49 GLY HA2 H 49 3.720 3.984 -0.264 1
1 432 . 3 1 1 A 49 49 GLY HA3 H 49 3.720 4.160 -0.440 1
1 433 . 3 1 1 A 49 49 GLY CA C 49 43.000 46.037 -3.037 1
1 434 . 3 1 1 A 49 49 GLY N N 49 106.720 107.334 -0.614 1
1 435 . 3 1 1 A 50 50 GLY H H 50 7.580 7.690 -0.110 1
1 436 . 3 1 1 A 50 50 GLY N N 50 104.780 111.344 -6.564 1
1 437 . 3 1 1 A 51 51 LEU HA H 51 5.300 5.057 0.243 1
1 444 . 3 1 1 A 51 51 LEU CA C 51 50.270 54.205 -3.935 1
1 445 . 3 1 1 A 51 51 LEU CB C 51 42.930 44.453 -1.523 1
1 448 . 3 1 1 A 52 52 SER H H 52 9.110 8.304 0.806 1
1 449 . 3 1 1 A 52 52 SER HA H 52 5.180 4.957 0.223 1
1 452 . 3 1 1 A 52 52 SER CA C 52 53.700 58.705 -5.005 1
1 453 . 3 1 1 A 52 52 SER CB C 52 63.000 64.135 -1.135 1
1 454 . 3 1 1 A 52 52 SER N N 52 117.210 123.746 -6.536 1
1 455 . 3 1 1 A 53 53 ILE H H 53 8.330 8.680 -0.350 1
1 456 . 3 1 1 A 53 53 ILE HA H 53 4.930 4.893 0.037 1
1 466 . 3 1 1 A 53 53 ILE CA C 53 57.220 60.911 -3.691 1
1 467 . 3 1 1 A 53 53 ILE CB C 53 37.710 39.993 -2.283 1
1 471 . 3 1 1 A 53 53 ILE N N 53 124.030 124.704 -0.674 1
1 472 . 3 1 1 A 54 54 ALA H H 54 8.920 8.651 0.269 1
1 473 . 3 1 1 A 54 54 ALA HA H 54 5.390 4.907 0.483 1
1 477 . 3 1 1 A 54 54 ALA CA C 54 47.440 50.567 -3.127 1
1 478 . 3 1 1 A 54 54 ALA CB C 54 19.810 20.271 -0.461 1
1 479 . 3 1 1 A 54 54 ALA N N 54 126.530 130.974 -4.444 1
1 480 . 3 1 1 A 55 55 VAL H H 55 9.010 9.144 -0.134 1
1 481 . 3 1 1 A 55 55 VAL HA H 55 4.830 4.992 -0.162 1
1 489 . 3 1 1 A 55 55 VAL CA C 55 58.430 61.258 -2.828 1
1 490 . 3 1 1 A 55 55 VAL CB C 55 31.020 33.438 -2.418 1
1 493 . 3 1 1 A 55 55 VAL N N 55 119.590 124.226 -4.636 1
1 494 . 3 1 1 A 56 56 GLU H H 56 9.270 8.905 0.365 1
1 495 . 3 1 1 A 56 56 GLU HA H 56 4.690 5.212 -0.522 1
1 500 . 3 1 1 A 56 56 GLU CA C 56 52.000 55.162 -3.162 1
1 501 . 3 1 1 A 56 56 GLU CB C 56 31.050 33.633 -2.583 1
1 503 . 3 1 1 A 56 56 GLU N N 56 127.360 126.759 0.601 1
1 504 . 3 1 1 A 57 57 GLY H H 57 8.620 8.313 0.307 1
1 505 . 3 1 1 A 57 57 GLY N N 57 108.540 111.856 -3.316 1
1 506 . 3 1 1 A 58 58 PRO HA H 58 4.480 4.325 0.155 1
1 513 . 3 1 1 A 58 58 PRO CA C 58 61.850 64.476 -2.626 1
1 514 . 3 1 1 A 58 58 PRO CB C 58 29.820 32.100 -2.280 1
1 517 . 3 1 1 A 59 59 SER H H 59 7.200 7.485 -0.285 1
1 518 . 3 1 1 A 59 59 SER HA H 59 4.620 5.023 -0.403 1
1 521 . 3 1 1 A 59 59 SER CA C 59 55.050 57.548 -2.498 1
1 522 . 3 1 1 A 59 59 SER CB C 59 63.650 67.321 -3.671 1
1 523 . 3 1 1 A 59 59 SER N N 59 106.970 113.774 -6.804 1
1 524 . 3 1 1 A 60 60 LYS H H 60 8.570 8.527 0.043 1
1 525 . 3 1 1 A 60 60 LYS HA H 60 4.000 4.774 -0.774 1
1 534 . 3 1 1 A 60 60 LYS CA C 60 54.090 55.579 -1.489 1
1 535 . 3 1 1 A 60 60 LYS CB C 60 30.480 32.239 -1.759 1
1 539 . 3 1 1 A 60 60 LYS N N 60 118.890 123.290 -4.400 1
1 540 . 3 1 1 A 61 61 ALA H H 61 8.830 8.163 0.667 1
1 541 . 3 1 1 A 61 61 ALA HA H 61 4.930 4.503 0.427 1
1 545 . 3 1 1 A 61 61 ALA CA C 61 47.980 52.877 -4.897 1
1 546 . 3 1 1 A 61 61 ALA CB C 61 17.500 19.151 -1.651 1
1 547 . 3 1 1 A 61 61 ALA N N 61 127.130 127.778 -0.648 1
1 548 . 3 1 1 A 62 62 GLU H H 62 8.440 8.383 0.057 1
1 549 . 3 1 1 A 62 62 GLU HA H 62 4.610 4.475 0.135 1
1 554 . 3 1 1 A 62 62 GLU CA C 62 52.800 55.681 -2.881 1
1 555 . 3 1 1 A 62 62 GLU CB C 62 27.620 28.580 -0.960 1
1 557 . 3 1 1 A 62 62 GLU N N 62 121.980 121.559 0.421 1
1 558 . 3 1 1 A 63 63 ILE H H 63 8.710 8.731 -0.021 1
1 559 . 3 1 1 A 63 63 ILE HA H 63 4.710 4.349 0.361 1
1 569 . 3 1 1 A 63 63 ILE CA C 63 58.480 62.235 -3.755 1
1 570 . 3 1 1 A 63 63 ILE CB C 63 37.820 38.584 -0.764 1
1 574 . 3 1 1 A 63 63 ILE N N 63 125.400 127.748 -2.348 1
1 575 . 3 1 1 A 64 64 ALA H H 64 9.350 8.635 0.715 1
1 576 . 3 1 1 A 64 64 ALA HA H 64 5.400 4.976 0.424 1
1 580 . 3 1 1 A 64 64 ALA CA C 64 47.440 51.479 -4.039 1
1 581 . 3 1 1 A 64 64 ALA CB C 64 19.750 21.201 -1.451 1
1 582 . 3 1 1 A 64 64 ALA N N 64 130.180 131.290 -1.110 1
1 583 . 3 1 1 A 65 65 PHE H H 65 8.120 8.371 -0.251 1
1 584 . 3 1 1 A 65 65 PHE HA H 65 5.410 5.189 0.221 1
1 587 . 3 1 1 A 65 65 PHE CA C 65 53.210 55.903 -2.693 1
1 588 . 3 1 1 A 65 65 PHE CB C 65 40.490 40.372 0.118 1
1 589 . 3 1 1 A 65 65 PHE N N 65 115.800 121.453 -5.653 1
1 590 . 3 1 1 A 66 66 GLU H H 66 8.360 8.961 -0.601 1
1 591 . 3 1 1 A 66 66 GLU HA H 66 4.700 4.753 -0.053 1
1 596 . 3 1 1 A 66 66 GLU CA C 66 52.100 55.088 -2.988 1
1 597 . 3 1 1 A 66 66 GLU CB C 66 30.280 32.498 -2.218 1
1 599 . 3 1 1 A 66 66 GLU N N 66 120.390 122.585 -2.195 1
1 600 . 3 1 1 A 67 67 ASP H H 67 8.880 8.977 -0.097 1
1 601 . 3 1 1 A 67 67 ASP HA H 67 5.120 4.876 0.244 1
1 604 . 3 1 1 A 67 67 ASP CA C 67 51.070 53.736 -2.666 1
1 605 . 3 1 1 A 67 67 ASP CB C 67 38.310 40.352 -2.042 1
1 606 . 3 1 1 A 67 67 ASP N N 67 124.860 126.069 -1.209 1
1 607 . 3 1 1 A 68 68 ARG H H 68 8.330 9.009 -0.679 1
1 608 . 3 1 1 A 68 68 ARG HA H 68 4.170 4.364 -0.194 1
1 613 . 3 1 1 A 68 68 ARG CA C 68 54.170 57.884 -3.714 1
1 614 . 3 1 1 A 68 68 ARG CB C 68 27.740 30.628 -2.888 1
1 615 . 3 1 1 A 68 68 ARG N N 68 125.010 125.057 -0.047 1
1 616 . 3 1 1 A 69 69 LYS H H 69 7.980 7.620 0.360 1
1 617 . 3 1 1 A 69 69 LYS HA H 69 4.030 4.440 -0.410 1
1 626 . 3 1 1 A 69 69 LYS CA C 69 55.530 55.097 0.433 1
1 627 . 3 1 1 A 69 69 LYS CB C 69 26.220 33.508 -7.288 1
1 631 . 3 1 1 A 69 69 LYS N N 69 118.110 116.790 1.320 1
1 632 . 3 1 1 A 70 70 ASP H H 70 7.930 8.295 -0.365 1
1 633 . 3 1 1 A 70 70 ASP HA H 70 4.330 4.378 -0.048 1
1 636 . 3 1 1 A 70 70 ASP CA C 70 52.540 55.620 -3.080 1
1 637 . 3 1 1 A 70 70 ASP CB C 70 40.020 40.474 -0.454 1
1 638 . 3 1 1 A 70 70 ASP N N 70 116.380 117.705 -1.325 1
1 639 . 3 1 1 A 71 71 GLY H H 71 9.080 8.213 0.867 1
1 640 . 3 1 1 A 71 71 GLY HA2 H 71 4.200 4.097 0.103 1
1 641 . 3 1 1 A 71 71 GLY HA3 H 71 3.630 4.150 -0.520 1
1 642 . 3 1 1 A 71 71 GLY CA C 71 42.480 45.526 -3.046 1
1 643 . 3 1 1 A 71 71 GLY N N 71 108.240 106.997 1.243 1
1 644 . 3 1 1 A 72 72 SER H H 72 8.400 7.796 0.604 1
1 645 . 3 1 1 A 72 72 SER HA H 72 5.470 4.819 0.651 1
1 648 . 3 1 1 A 72 72 SER CA C 72 54.440 57.028 -2.588 1
1 649 . 3 1 1 A 72 72 SER CB C 72 65.130 63.958 1.172 1
1 650 . 3 1 1 A 72 72 SER N N 72 116.980 116.491 0.489 1
1 651 . 3 1 1 A 73 73 CYS H H 73 8.810 9.826 -1.016 1
1 652 . 3 1 1 A 73 73 CYS HA H 73 5.210 4.748 0.462 1
1 655 . 3 1 1 A 73 73 CYS CA C 73 53.240 58.391 -5.151 1
1 656 . 3 1 1 A 73 73 CYS CB C 73 28.520 27.789 0.731 1
1 657 . 3 1 1 A 73 73 CYS N N 73 114.140 128.520 -14.380 1
1 658 . 3 1 1 A 74 74 GLY H H 74 8.880 9.029 -0.149 1
1 659 . 3 1 1 A 74 74 GLY HA2 H 74 4.540 3.994 0.546 1
1 660 . 3 1 1 A 74 74 GLY HA3 H 74 3.610 4.029 -0.419 1
1 661 . 3 1 1 A 74 74 GLY CA C 74 41.630 45.018 -3.388 1
1 662 . 3 1 1 A 74 74 GLY N N 74 110.010 114.589 -4.579 1
1 663 . 3 1 1 A 75 75 VAL H H 75 8.480 8.701 -0.221 1
1 664 . 3 1 1 A 75 75 VAL HA H 75 4.550 4.692 -0.142 1
1 672 . 3 1 1 A 75 75 VAL CA C 75 57.860 60.831 -2.971 1
1 673 . 3 1 1 A 75 75 VAL CB C 75 30.530 31.812 -1.282 1
1 676 . 3 1 1 A 75 75 VAL N N 75 122.510 126.495 -3.985 1
1 677 . 3 1 1 A 76 76 SER H H 76 8.700 9.441 -0.741 1
1 678 . 3 1 1 A 76 76 SER HA H 76 5.540 5.065 0.475 1
1 681 . 3 1 1 A 76 76 SER CA C 76 53.360 57.868 -4.508 1
1 682 . 3 1 1 A 76 76 SER CB C 76 63.190 64.145 -0.955 1
1 683 . 3 1 1 A 76 76 SER N N 76 118.910 123.716 -4.806 1
1 684 . 3 1 1 A 77 77 TYR H H 77 8.960 9.723 -0.763 1
1 685 . 3 1 1 A 77 77 TYR HA H 77 4.420 5.992 -1.572 1
1 688 . 3 1 1 A 77 77 TYR CA C 77 52.780 55.540 -2.760 1
1 689 . 3 1 1 A 77 77 TYR CB C 77 39.950 41.663 -1.713 1
1 690 . 3 1 1 A 77 77 TYR N N 77 118.060 122.258 -4.198 1
1 691 . 3 1 1 A 78 78 VAL H H 78 8.160 8.997 -0.837 1
1 692 . 3 1 1 A 78 78 VAL HA H 78 4.320 4.401 -0.081 1
1 700 . 3 1 1 A 78 78 VAL CA C 78 57.510 61.620 -4.110 1
1 701 . 3 1 1 A 78 78 VAL CB C 78 32.620 32.044 0.576 1
1 704 . 3 1 1 A 78 78 VAL N N 78 116.800 124.166 -7.366 1
1 705 . 3 1 1 A 79 79 VAL H H 79 8.730 8.131 0.599 1
1 706 . 3 1 1 A 79 79 VAL HA H 79 4.760 4.084 0.676 1
1 714 . 3 1 1 A 79 79 VAL CA C 79 55.750 61.638 -5.888 1
1 715 . 3 1 1 A 79 79 VAL CB C 79 30.530 33.038 -2.508 1
1 718 . 3 1 1 A 79 79 VAL N N 79 119.730 127.432 -7.702 1
1 719 . 3 1 1 A 80 80 GLN H H 80 8.030 9.218 -1.188 1
1 720 . 3 1 1 A 80 80 GLN HA H 80 4.240 4.444 -0.204 1
1 725 . 3 1 1 A 80 80 GLN CA C 80 53.910 57.087 -3.177 1
1 726 . 3 1 1 A 80 80 GLN CB C 80 27.130 30.564 -3.434 1
1 728 . 3 1 1 A 80 80 GLN N N 80 116.150 122.518 -6.368 1
1 729 . 3 1 1 A 81 81 GLU H H 81 7.070 7.918 -0.848 1
1 730 . 3 1 1 A 81 81 GLU HA H 81 5.010 4.791 0.219 1
1 735 . 3 1 1 A 81 81 GLU CA C 81 49.600 54.446 -4.846 1
1 736 . 3 1 1 A 81 81 GLU CB C 81 29.410 32.404 -2.994 1
1 738 . 3 1 1 A 81 81 GLU N N 81 113.990 114.417 -0.427 1
1 739 . 3 1 1 A 82 82 PRO HA H 82 5.040 4.361 0.679 1
1 746 . 3 1 1 A 82 82 PRO CA C 82 59.910 63.717 -3.807 1
1 747 . 3 1 1 A 82 82 PRO CB C 82 29.280 32.388 -3.108 1
1 750 . 3 1 1 A 83 83 GLY H H 83 8.840 7.802 1.038 1
1 751 . 3 1 1 A 83 83 GLY CA C 83 41.780 44.754 -2.974 1
1 752 . 3 1 1 A 83 83 GLY N N 83 104.910 107.888 -2.978 1
1 753 . 3 1 1 A 84 84 ASP H H 84 8.250 8.307 -0.057 1
1 754 . 3 1 1 A 84 84 ASP HA H 84 5.260 5.204 0.056 1
1 757 . 3 1 1 A 84 84 ASP CA C 84 51.540 53.233 -1.693 1
1 758 . 3 1 1 A 84 84 ASP CB C 84 38.700 41.130 -2.430 1
1 759 . 3 1 1 A 84 84 ASP N N 84 118.800 120.881 -2.081 1
1 760 . 3 1 1 A 85 85 TYR H H 85 8.810 8.578 0.232 1
1 761 . 3 1 1 A 85 85 TYR HA H 85 3.970 4.975 -1.005 1
1 764 . 3 1 1 A 85 85 TYR CA C 85 53.930 58.898 -4.968 1
1 765 . 3 1 1 A 85 85 TYR CB C 85 37.760 39.337 -1.577 1
1 766 . 3 1 1 A 85 85 TYR N N 85 121.630 124.485 -2.855 1
1 767 . 3 1 1 A 86 86 GLU H H 86 9.320 8.854 0.466 1
1 768 . 3 1 1 A 86 86 GLU HA H 86 5.260 5.130 0.130 1
1 773 . 3 1 1 A 86 86 GLU CA C 86 52.350 55.018 -2.668 1
1 774 . 3 1 1 A 86 86 GLU CB C 86 30.070 32.498 -2.428 1
1 776 . 3 1 1 A 86 86 GLU N N 86 120.420 122.843 -2.423 1
1 777 . 3 1 1 A 87 87 VAL H H 87 9.810 8.311 1.499 1
1 778 . 3 1 1 A 87 87 VAL HA H 87 4.990 4.941 0.049 1
1 786 . 3 1 1 A 87 87 VAL CA C 87 58.590 59.044 -0.454 1
1 787 . 3 1 1 A 87 87 VAL CB C 87 30.210 34.604 -4.394 1
1 790 . 3 1 1 A 87 87 VAL N N 87 129.200 122.662 6.538 1
1 791 . 3 1 1 A 88 88 SER H H 88 9.560 8.555 1.005 1
1 792 . 3 1 1 A 88 88 SER HA H 88 5.170 4.930 0.240 1
1 795 . 3 1 1 A 88 88 SER CA C 88 55.170 56.708 -1.538 1
1 796 . 3 1 1 A 88 88 SER CB C 88 62.790 64.031 -1.241 1
1 797 . 3 1 1 A 88 88 SER N N 88 121.730 123.421 -1.691 1
1 798 . 3 1 1 A 89 89 ILE H H 89 9.570 9.009 0.561 1
1 799 . 3 1 1 A 89 89 ILE HA H 89 4.920 5.426 -0.506 1
1 809 . 3 1 1 A 89 89 ILE CA C 89 57.020 59.101 -2.081 1
1 810 . 3 1 1 A 89 89 ILE CB C 89 38.120 40.508 -2.388 1
1 814 . 3 1 1 A 89 89 ILE N N 89 125.650 123.678 1.972 1
1 815 . 3 1 1 A 90 90 LYS H H 90 8.760 8.631 0.129 1
1 816 . 3 1 1 A 90 90 LYS HA H 90 5.130 5.463 -0.333 1
1 825 . 3 1 1 A 90 90 LYS CA C 90 50.980 54.743 -3.763 1
1 826 . 3 1 1 A 90 90 LYS CB C 90 33.850 35.944 -2.094 1
1 830 . 3 1 1 A 90 90 LYS N N 90 122.170 124.502 -2.332 1
1 831 . 3 1 1 A 91 91 PHE H H 91 9.040 8.422 0.618 1
1 832 . 3 1 1 A 91 91 PHE HA H 91 5.330 4.957 0.373 1
1 835 . 3 1 1 A 91 91 PHE CA C 91 53.190 57.316 -4.126 1
1 836 . 3 1 1 A 91 91 PHE CB C 91 40.200 39.510 0.690 1
1 837 . 3 1 1 A 91 91 PHE N N 91 120.990 125.245 -4.255 1
1 838 . 3 1 1 A 92 92 ASN H H 92 9.210 9.722 -0.512 1
1 839 . 3 1 1 A 92 92 ASN HA H 92 4.220 4.249 -0.029 1
1 842 . 3 1 1 A 92 92 ASN CA C 92 51.480 54.023 -2.543 1
1 843 . 3 1 1 A 92 92 ASN CB C 92 33.610 37.086 -3.476 1
1 844 . 3 1 1 A 92 92 ASN N N 92 127.010 125.173 1.837 1
1 845 . 3 1 1 A 93 93 ASP H H 93 8.760 8.513 0.247 1
1 846 . 3 1 1 A 93 93 ASP HA H 93 3.970 4.307 -0.337 1
1 849 . 3 1 1 A 93 93 ASP CA C 93 53.920 56.060 -2.140 1
1 850 . 3 1 1 A 93 93 ASP CB C 93 38.060 39.062 -1.002 1
1 851 . 3 1 1 A 93 93 ASP N N 93 107.220 111.052 -3.832 1
1 852 . 3 1 1 A 94 94 GLU H H 94 7.500 7.905 -0.405 1
1 853 . 3 1 1 A 94 94 GLU HA H 94 4.700 4.573 0.127 1
1 857 . 3 1 1 A 94 94 GLU CA C 94 51.940 55.540 -3.600 1
1 858 . 3 1 1 A 94 94 GLU CB C 94 29.680 29.663 0.017 1
1 860 . 3 1 1 A 94 94 GLU N N 94 117.830 117.366 0.464 1
1 861 . 3 1 1 A 95 95 HIS H H 95 8.770 8.195 0.575 1
1 862 . 3 1 1 A 95 95 HIS HA H 95 4.480 4.670 -0.190 1
1 865 . 3 1 1 A 95 95 HIS CA C 95 56.530 55.594 0.936 1
1 866 . 3 1 1 A 95 95 HIS CB C 95 29.690 28.961 0.729 1
1 867 . 3 1 1 A 95 95 HIS N N 95 121.910 122.561 -0.651 1
1 868 . 3 1 1 A 96 96 ILE H H 96 8.110 8.135 -0.025 1
1 869 . 3 1 1 A 96 96 ILE HA H 96 4.310 3.928 0.382 1
1 871 . 3 1 1 A 96 96 ILE CA C 96 57.520 59.388 -1.868 1
1 872 . 3 1 1 A 96 96 ILE CB C 96 32.720 39.682 -6.962 1
1 873 . 3 1 1 A 96 96 ILE N N 96 116.370 126.089 -9.719 1
1 874 . 3 1 1 A 97 97 PRO CA C 97 63.500 65.698 -2.198 1
1 875 . 3 1 1 A 97 97 PRO CB C 97 28.690 31.888 -3.198 1
1 878 . 3 1 1 A 98 98 ASP H H 98 7.940 8.810 -0.870 1
1 879 . 3 1 1 A 98 98 ASP HA H 98 5.010 4.274 0.736 1
1 882 . 3 1 1 A 98 98 ASP CA C 98 54.510 57.508 -2.998 1
1 883 . 3 1 1 A 98 98 ASP CB C 98 37.760 40.441 -2.681 1
1 884 . 3 1 1 A 98 98 ASP N N 98 113.440 118.287 -4.847 1
1 885 . 3 1 1 A 99 99 SER H H 99 7.470 7.943 -0.473 1
1 886 . 3 1 1 A 99 99 SER HA H 99 4.230 4.820 -0.590 1
1 889 . 3 1 1 A 99 99 SER CA C 99 52.370 56.921 -4.551 1
1 890 . 3 1 1 A 99 99 SER CB C 99 60.430 63.193 -2.763 1
1 891 . 3 1 1 A 99 99 SER N N 99 110.680 112.707 -2.027 1
1 892 . 3 1 1 A 100 100 PRO HA H 100 4.550 5.090 -0.540 1
1 899 . 3 1 1 A 100 100 PRO CA C 100 59.920 62.583 -2.663 1
1 900 . 3 1 1 A 100 100 PRO CB C 100 31.880 31.786 0.094 1
1 903 . 3 1 1 A 101 101 PHE H H 101 9.270 8.194 1.076 1
1 904 . 3 1 1 A 101 101 PHE HA H 101 4.560 5.350 -0.790 1
1 907 . 3 1 1 A 101 101 PHE CA C 101 54.060 55.142 -1.082 1
1 908 . 3 1 1 A 101 101 PHE CB C 101 37.930 42.139 -4.209 1
1 909 . 3 1 1 A 101 101 PHE N N 101 119.180 118.616 0.564 1
1 910 . 3 1 1 A 102 102 VAL H H 102 8.760 8.667 0.093 1
1 911 . 3 1 1 A 102 102 VAL HA H 102 4.580 4.840 -0.260 1
1 919 . 3 1 1 A 102 102 VAL CA C 102 60.400 60.040 0.360 1
1 920 . 3 1 1 A 102 102 VAL CB C 102 28.970 33.789 -4.819 1
1 923 . 3 1 1 A 102 102 VAL N N 102 123.120 121.106 2.014 1
1 924 . 3 1 1 A 103 103 VAL H H 103 9.520 10.336 -0.816 1
1 925 . 3 1 1 A 103 103 VAL HA H 103 4.390 4.789 -0.399 1
1 933 . 3 1 1 A 103 103 VAL CA C 103 57.200 59.332 -2.132 1
1 934 . 3 1 1 A 103 103 VAL CB C 103 32.060 33.064 -1.004 1
1 937 . 3 1 1 A 103 103 VAL N N 103 130.330 128.081 2.249 1
1 938 . 3 1 1 A 104 104 PRO HA H 104 4.370 4.731 -0.361 1
1 941 . 3 1 1 A 104 104 PRO CA C 104 60.240 62.826 -2.586 1
1 942 . 3 1 1 A 104 104 PRO CB C 104 29.660 31.810 -2.150 1
1 945 . 3 1 1 A 105 105 VAL H H 105 9.300 8.316 0.984 1
1 946 . 3 1 1 A 105 105 VAL HA H 105 4.300 4.746 -0.446 1
1 954 . 3 1 1 A 105 105 VAL CA C 105 59.210 61.828 -2.618 1
1 955 . 3 1 1 A 105 105 VAL CB C 105 28.840 33.106 -4.266 1
1 958 . 3 1 1 A 105 105 VAL N N 105 126.320 124.320 2.000 1
1 959 . 3 1 1 A 106 106 ALA H H 106 8.360 9.361 -1.001 1
1 960 . 3 1 1 A 106 106 ALA HA H 106 4.660 5.216 -0.556 1
1 964 . 3 1 1 A 106 106 ALA CA C 106 48.340 50.517 -2.177 1
1 965 . 3 1 1 A 106 106 ALA CB C 106 18.960 22.646 -3.686 1
1 966 . 3 1 1 A 106 106 ALA N N 106 130.550 128.861 1.689 1
1 967 . 3 1 1 A 107 107 SER H H 107 8.590 8.479 0.111 1
1 968 . 3 1 1 A 107 107 SER HA H 107 4.490 4.802 -0.312 1
1 971 . 3 1 1 A 107 107 SER CA C 107 55.570 57.334 -1.764 1
1 972 . 3 1 1 A 107 107 SER CB C 107 61.760 62.732 -0.972 1
1 973 . 3 1 1 A 107 107 SER N N 107 112.340 116.533 -4.193 1
1 974 . 3 1 1 A 108 108 LEU H H 108 8.660 8.056 0.604 1
1 975 . 3 1 1 A 108 108 LEU HA H 108 4.300 3.939 0.361 1
1 985 . 3 1 1 A 108 108 LEU CA C 108 53.250 56.694 -3.444 1
1 986 . 3 1 1 A 108 108 LEU CB C 108 39.650 40.186 -0.536 1
1 990 . 3 1 1 A 108 108 LEU N N 108 123.200 118.155 5.045 1
1 991 . 3 1 1 A 109 109 SER H H 109 8.210 8.064 0.146 1
1 992 . 3 1 1 A 109 109 SER HA H 109 4.370 4.489 -0.119 1
1 995 . 3 1 1 A 109 109 SER CA C 109 55.810 59.504 -3.694 1
1 996 . 3 1 1 A 109 109 SER CB C 109 61.240 63.883 -2.643 1
1 997 . 3 1 1 A 109 109 SER N N 109 114.710 113.703 1.007 1
1 998 . 3 1 1 A 110 110 ASP H H 110 8.240 8.241 -0.001 1
1 999 . 3 1 1 A 110 110 ASP HA H 110 4.500 4.318 0.182 1
1 1002 . 3 1 1 A 110 110 ASP CA C 110 52.740 55.044 -2.304 1
1 1003 . 3 1 1 A 110 110 ASP CB C 110 38.260 38.616 -0.356 1
1 1004 . 3 1 1 A 110 110 ASP N N 110 121.030 120.623 0.407 1
1 1005 . 3 1 1 A 111 111 ASP H H 111 8.210 7.971 0.239 1
1 1006 . 3 1 1 A 111 111 ASP HA H 111 4.500 4.885 -0.385 1
1 1009 . 3 1 1 A 111 111 ASP CA C 111 52.770 55.010 -2.240 1
1 1010 . 3 1 1 A 111 111 ASP CB C 111 38.290 43.897 -5.607 1
1 1011 . 3 1 1 A 111 111 ASP N N 111 118.910 119.742 -0.832 1
1 1012 . 3 1 1 A 112 112 ALA H H 112 8.050 8.415 -0.365 1
1 1013 . 3 1 1 A 112 112 ALA HA H 112 4.170 4.062 0.108 1
1 1017 . 3 1 1 A 112 112 ALA CA C 112 50.710 54.353 -3.643 1
1 1018 . 3 1 1 A 112 112 ALA CB C 112 16.110 17.903 -1.793 1
1 1019 . 3 1 1 A 112 112 ALA N N 112 121.600 120.968 0.632 1
1 1020 . 3 1 1 A 113 113 ARG H H 113 7.960 8.372 -0.412 1
1 1021 . 3 1 1 A 113 113 ARG HA H 113 4.030 4.633 -0.603 1
1 1027 . 3 1 1 A 113 113 ARG CA C 113 55.200 55.088 0.112 1
1 1028 . 3 1 1 A 113 113 ARG CB C 113 27.730 32.539 -4.809 1
1 1031 . 3 1 1 A 113 113 ARG N N 113 116.640 120.468 -3.828 1
1 1032 . 3 1 1 A 114 114 ARG H H 114 7.930 8.543 -0.613 1
1 1033 . 3 1 1 A 114 114 ARG HA H 114 4.000 4.608 -0.608 1
1 1040 . 3 1 1 A 114 114 ARG CA C 114 53.940 55.724 -1.784 1
1 1041 . 3 1 1 A 114 114 ARG CB C 114 30.550 32.538 -1.988 1
1 1044 . 3 1 1 A 114 114 ARG N N 114 116.380 121.502 -5.122 1
1 1045 . 3 1 1 A 115 115 LEU H H 115 8.000 7.933 0.067 1
1 1046 . 3 1 1 A 115 115 LEU HA H 115 4.320 4.625 -0.305 1
1 1056 . 3 1 1 A 115 115 LEU CA C 115 52.870 54.903 -2.033 1
1 1057 . 3 1 1 A 115 115 LEU CB C 115 39.640 44.080 -4.440 1
1 1061 . 3 1 1 A 115 115 LEU N N 115 120.260 114.542 5.718 1
1 1062 . 3 1 1 A 116 116 THR H H 116 7.970 7.882 0.088 1
1 1063 . 3 1 1 A 116 116 THR HA H 116 4.390 4.353 0.037 1
1 1068 . 3 1 1 A 116 116 THR CA C 116 59.270 64.339 -5.069 1
1 1069 . 3 1 1 A 116 116 THR CB C 116 67.420 69.289 -1.869 1
1 1071 . 3 1 1 A 116 116 THR N N 116 113.250 115.408 -2.158 1
1 1072 . 3 1 1 A 117 117 VAL H H 117 8.070 8.108 -0.038 1
1 1073 . 3 1 1 A 117 117 VAL HA H 117 4.330 3.955 0.375 1
1 1078 . 3 1 1 A 117 117 VAL CA C 117 60.230 65.128 -4.898 1
1 1079 . 3 1 1 A 117 117 VAL CB C 117 30.360 31.800 -1.440 1
1 1081 . 3 1 1 A 117 117 VAL N N 117 120.990 119.527 1.463 1
1 1082 . 3 1 1 A 118 118 THR H H 118 8.210 8.056 0.154 1
1 1083 . 3 1 1 A 118 118 THR HA H 118 4.380 3.942 0.438 1
1 1088 . 3 1 1 A 118 118 THR CA C 118 58.770 63.117 -4.347 1
1 1089 . 3 1 1 A 118 118 THR CB C 118 67.420 67.665 -0.245 1
1 1091 . 3 1 1 A 118 118 THR N N 118 116.420 116.364 0.056 1
1 1098 . 3 2 2 B 6 6 GLU H H 6 8.780 8.948 -0.168 1
1 1099 . 3 2 2 B 6 6 GLU HA H 6 4.160 4.220 -0.060 1
1 1104 . 3 2 2 B 8 8 ARG H H 8 8.200 8.170 0.030 1
1 1105 . 3 2 2 B 8 8 ARG HA H 8 4.210 4.522 -0.312 1
1 1111 . 3 2 2 B 9 9 VAL H H 9 9.000 8.202 0.798 1
1 1112 . 3 2 2 B 9 9 VAL HA H 9 4.070 4.705 -0.635 1
1 1123 . 3 2 2 B 11 11 SER H H 11 8.490 8.840 -0.350 1
1 1126 . 3 2 2 B 12 12 SER HA H 12 4.410 5.113 -0.703 1
1 1129 . 3 2 2 B 13 13 VAL H H 13 8.800 8.521 0.279 1
1 1130 . 3 2 2 B 13 13 VAL HA H 13 4.010 4.862 -0.852 1
1 1138 . 3 2 2 B 14 14 PHE HA H 14 4.620 5.105 -0.485 1
1 1143 . 3 2 2 B 15 15 ILE H H 15 8.710 8.882 -0.172 1
1 1144 . 3 2 2 B 15 15 ILE HA H 15 4.140 4.691 -0.551 1
1 1154 . 3 2 2 B 16 16 THR HA H 16 4.220 5.111 -0.891 1
1 1159 . 3 2 2 B 17 17 LEU H H 17 8.270 8.804 -0.534 1
1 1160 . 3 2 2 B 17 17 LEU HA H 17 4.130 5.020 -0.890 1
1 1170 . 3 2 2 B 18 18 ALA HA H 18 4.500 4.830 -0.330 1
1 4 . 4 1 1 A 2 2 ILE H H 2 8.800 8.464 0.336 1
1 5 . 4 1 1 A 2 2 ILE N N 2 126.630 120.004 6.626 1
1 6 . 4 1 1 A 3 3 PRO HA H 3 4.360 4.431 -0.071 1
1 13 . 4 1 1 A 3 3 PRO CA C 3 60.670 66.204 -5.534 1
1 14 . 4 1 1 A 3 3 PRO CB C 3 29.390 31.359 -1.969 1
1 17 . 4 1 1 A 4 4 GLU H H 4 8.270 8.154 0.116 1
1 18 . 4 1 1 A 4 4 GLU HA H 4 4.360 4.347 0.013 1
1 23 . 4 1 1 A 4 4 GLU CA C 4 53.690 58.477 -4.787 1
1 24 . 4 1 1 A 4 4 GLU CB C 4 29.430 29.337 0.093 1
1 26 . 4 1 1 A 4 4 GLU N N 4 119.290 118.082 1.208 1
1 27 . 4 1 1 A 5 5 PHE H H 5 8.810 10.123 -1.313 1
1 28 . 4 1 1 A 5 5 PHE N N 5 126.600 118.624 7.976 1
1 29 . 4 1 1 A 6 6 PHE H H 6 8.070 8.306 -0.236 1
1 30 . 4 1 1 A 6 6 PHE HA H 6 4.650 4.704 -0.054 1
1 33 . 4 1 1 A 6 6 PHE CA C 6 54.920 57.022 -2.102 1
1 34 . 4 1 1 A 6 6 PHE CB C 6 37.190 40.144 -2.954 1
1 35 . 4 1 1 A 6 6 PHE N N 6 120.380 116.217 4.163 1
1 36 . 4 1 1 A 7 7 GLN H H 7 7.980 8.376 -0.396 1
1 37 . 4 1 1 A 7 7 GLN HA H 7 4.430 3.661 0.769 1
1 42 . 4 1 1 A 7 7 GLN CA C 7 54.860 56.868 -2.008 1
1 43 . 4 1 1 A 7 7 GLN CB C 7 26.570 28.347 -1.777 1
1 45 . 4 1 1 A 7 7 GLN N N 7 119.930 119.054 0.876 1
1 46 . 4 1 1 A 8 8 PHE H H 8 8.030 8.041 -0.011 1
1 47 . 4 1 1 A 8 8 PHE HA H 8 4.630 4.797 -0.167 1
1 50 . 4 1 1 A 8 8 PHE CA C 8 55.020 59.046 -4.026 1
1 51 . 4 1 1 A 8 8 PHE CB C 8 36.840 41.664 -4.824 1
1 52 . 4 1 1 A 8 8 PHE N N 8 119.560 119.542 0.018 1
1 53 . 4 1 1 A 9 9 THR H H 9 8.040 8.254 -0.214 1
1 54 . 4 1 1 A 9 9 THR HA H 9 4.300 4.516 -0.216 1
1 59 . 4 1 1 A 9 9 THR CA C 9 59.410 63.859 -4.449 1
1 60 . 4 1 1 A 9 9 THR CB C 9 67.440 68.196 -0.756 1
1 62 . 4 1 1 A 9 9 THR N N 9 114.650 113.731 0.919 1
1 63 . 4 1 1 A 10 10 VAL H H 10 8.070 7.931 0.139 1
1 64 . 4 1 1 A 10 10 VAL HA H 10 4.210 3.924 0.286 1
1 72 . 4 1 1 A 10 10 VAL CA C 10 59.470 64.874 -5.404 1
1 73 . 4 1 1 A 10 10 VAL CB C 10 30.180 32.514 -2.334 1
1 75 . 4 1 1 A 10 10 VAL N N 10 120.380 121.867 -1.487 1
1 76 . 4 1 1 A 11 11 GLY H H 11 8.200 7.663 0.537 1
1 77 . 4 1 1 A 11 11 GLY HA2 H 11 4.090 4.021 0.069 1
1 78 . 4 1 1 A 11 11 GLY HA3 H 11 4.000 4.029 -0.029 1
1 79 . 4 1 1 A 11 11 GLY CA C 11 41.420 45.644 -4.224 1
1 80 . 4 1 1 A 11 11 GLY N N 11 110.910 109.432 1.478 1
1 81 . 4 1 1 A 12 12 PRO HA H 12 4.360 4.518 -0.158 1
1 88 . 4 1 1 A 12 12 PRO CA C 12 60.590 63.037 -2.447 1
1 89 . 4 1 1 A 12 12 PRO CB C 12 33.600 30.692 2.908 1
1 92 . 4 1 1 A 13 13 LEU H H 13 8.360 9.051 -0.691 1
1 93 . 4 1 1 A 13 13 LEU HA H 13 4.340 3.965 0.375 1
1 103 . 4 1 1 A 13 13 LEU CA C 13 52.800 55.316 -2.516 1
1 104 . 4 1 1 A 13 13 LEU CB C 13 39.650 39.609 0.041 1
1 108 . 4 1 1 A 13 13 LEU N N 13 120.390 119.132 1.258 1
1 109 . 4 1 1 A 14 14 GLY H H 14 8.240 8.133 0.107 1
1 110 . 4 1 1 A 14 14 GLY HA2 H 14 3.960 3.603 0.357 1
1 111 . 4 1 1 A 14 14 GLY HA3 H 14 3.660 3.716 -0.056 1
1 112 . 4 1 1 A 14 14 GLY CA C 14 40.240 45.007 -4.767 1
1 113 . 4 1 1 A 14 14 GLY N N 14 107.860 108.585 -0.725 1
1 114 . 4 1 1 A 15 15 GLU H H 15 8.250 9.200 -0.950 1
1 115 . 4 1 1 A 15 15 GLU HA H 15 4.360 3.928 0.432 1
1 120 . 4 1 1 A 15 15 GLU CA C 15 53.920 57.586 -3.666 1
1 121 . 4 1 1 A 15 15 GLU CB C 15 27.800 29.032 -1.232 1
1 123 . 4 1 1 A 15 15 GLU N N 15 118.800 119.304 -0.504 1
1 124 . 4 1 1 A 16 16 GLY H H 16 8.460 8.313 0.147 1
1 125 . 4 1 1 A 16 16 GLY HA2 H 16 3.960 4.007 -0.047 1
1 126 . 4 1 1 A 16 16 GLY HA3 H 16 3.880 4.015 -0.135 1
1 127 . 4 1 1 A 16 16 GLY CA C 16 42.490 45.580 -3.090 1
1 128 . 4 1 1 A 16 16 GLY N N 16 108.190 107.532 0.658 1
1 129 . 4 1 1 A 17 17 GLY H H 17 8.300 8.919 -0.619 1
1 130 . 4 1 1 A 17 17 GLY HA2 H 17 4.430 3.884 0.546 1
1 131 . 4 1 1 A 17 17 GLY HA3 H 17 3.780 3.932 -0.152 1
1 132 . 4 1 1 A 17 17 GLY CA C 17 42.550 46.140 -3.590 1
1 133 . 4 1 1 A 17 17 GLY N N 17 105.790 113.089 -7.299 1
1 134 . 4 1 1 A 18 18 ALA H H 18 8.800 8.062 0.738 1
1 135 . 4 1 1 A 18 18 ALA HA H 18 3.760 4.106 -0.346 1
1 139 . 4 1 1 A 18 18 ALA CA C 18 52.780 54.312 -1.532 1
1 140 . 4 1 1 A 18 18 ALA CB C 18 16.810 18.415 -1.605 1
1 141 . 4 1 1 A 18 18 ALA N N 18 120.770 123.829 -3.059 1
1 142 . 4 1 1 A 19 19 HIS H H 19 8.230 7.412 0.818 1
1 143 . 4 1 1 A 19 19 HIS HA H 19 4.410 4.244 0.166 1
1 146 . 4 1 1 A 19 19 HIS CA C 19 54.740 58.659 -3.919 1
1 147 . 4 1 1 A 19 19 HIS CB C 19 26.240 30.300 -4.060 1
1 148 . 4 1 1 A 19 19 HIS N N 19 109.490 118.550 -9.060 1
1 149 . 4 1 1 A 20 20 LYS H H 20 7.570 8.016 -0.446 1
1 150 . 4 1 1 A 20 20 LYS HA H 20 4.170 3.817 0.353 1
1 159 . 4 1 1 A 20 20 LYS CA C 20 52.100 58.427 -6.327 1
1 160 . 4 1 1 A 20 20 LYS CB C 20 29.850 31.898 -2.048 1
1 164 . 4 1 1 A 20 20 LYS N N 20 115.920 116.887 -0.967 1
1 165 . 4 1 1 A 21 21 VAL H H 21 7.460 7.687 -0.227 1
1 166 . 4 1 1 A 21 21 VAL HA H 21 4.270 3.759 0.511 1
1 174 . 4 1 1 A 21 21 VAL CA C 21 60.730 62.469 -1.739 1
1 175 . 4 1 1 A 21 21 VAL CB C 21 29.340 32.137 -2.797 1
1 178 . 4 1 1 A 21 21 VAL N N 21 122.030 121.062 0.968 1
1 179 . 4 1 1 A 22 22 ARG H H 22 7.840 8.585 -0.745 1
1 180 . 4 1 1 A 22 22 ARG HA H 22 5.100 4.920 0.180 1
1 187 . 4 1 1 A 22 22 ARG CA C 22 51.230 54.923 -3.693 1
1 188 . 4 1 1 A 22 22 ARG CB C 22 31.930 31.731 0.199 1
1 191 . 4 1 1 A 22 22 ARG N N 22 121.520 130.372 -8.852 1
1 192 . 4 1 1 A 23 23 ALA H H 23 8.920 8.746 0.174 1
1 193 . 4 1 1 A 23 23 ALA HA H 23 5.580 5.395 0.185 1
1 197 . 4 1 1 A 23 23 ALA CA C 23 47.810 51.392 -3.582 1
1 198 . 4 1 1 A 23 23 ALA CB C 23 21.660 21.466 0.194 1
1 199 . 4 1 1 A 23 23 ALA N N 23 123.300 127.372 -4.072 1
1 200 . 4 1 1 A 24 24 GLY H H 24 8.450 8.220 0.230 1
1 201 . 4 1 1 A 24 24 GLY HA2 H 24 4.200 4.262 -0.062 1
1 202 . 4 1 1 A 24 24 GLY HA3 H 24 4.160 4.286 -0.126 1
1 203 . 4 1 1 A 24 24 GLY CA C 24 43.560 45.577 -2.017 1
1 204 . 4 1 1 A 24 24 GLY N N 24 104.220 109.084 -4.864 1
1 205 . 4 1 1 A 25 25 GLY H H 25 8.770 8.399 0.371 1
1 206 . 4 1 1 A 25 25 GLY HA2 H 25 4.880 4.301 0.579 1
1 207 . 4 1 1 A 25 25 GLY HA3 H 25 4.050 4.393 -0.343 1
1 208 . 4 1 1 A 25 25 GLY CA C 25 42.110 45.957 -3.847 1
1 209 . 4 1 1 A 25 25 GLY N N 25 109.590 109.143 0.447 1
1 210 . 4 1 1 A 26 26 THR H H 26 8.620 9.034 -0.414 1
1 211 . 4 1 1 A 26 26 THR HA H 26 4.030 4.058 -0.028 1
1 216 . 4 1 1 A 26 26 THR CA C 26 63.280 66.142 -2.862 1
1 217 . 4 1 1 A 26 26 THR CB C 26 65.990 68.721 -2.731 1
1 219 . 4 1 1 A 26 26 THR N N 26 113.050 113.110 -0.060 1
1 220 . 4 1 1 A 27 27 GLY H H 27 9.040 8.212 0.828 1
1 221 . 4 1 1 A 27 27 GLY HA2 H 27 4.270 4.107 0.163 1
1 222 . 4 1 1 A 27 27 GLY HA3 H 27 3.390 4.173 -0.783 1
1 223 . 4 1 1 A 27 27 GLY CA C 27 44.250 46.619 -2.369 1
1 224 . 4 1 1 A 27 27 GLY N N 27 105.190 107.994 -2.804 1
1 225 . 4 1 1 A 28 28 LEU H H 28 7.450 7.908 -0.458 1
1 226 . 4 1 1 A 28 28 LEU HA H 28 4.210 4.059 0.151 1
1 236 . 4 1 1 A 28 28 LEU CA C 28 51.150 55.684 -4.534 1
1 237 . 4 1 1 A 28 28 LEU CB C 28 37.670 42.001 -4.331 1
1 241 . 4 1 1 A 28 28 LEU N N 28 114.980 121.220 -6.240 1
1 242 . 4 1 1 A 29 29 GLU H H 29 7.980 7.814 0.166 1
1 243 . 4 1 1 A 29 29 GLU HA H 29 4.540 4.306 0.234 1
1 248 . 4 1 1 A 29 29 GLU CA C 29 54.910 58.238 -3.328 1
1 249 . 4 1 1 A 29 29 GLU CB C 29 29.430 30.796 -1.366 1
1 251 . 4 1 1 A 29 29 GLU N N 29 117.810 116.881 0.929 1
1 252 . 4 1 1 A 30 30 ARG H H 30 8.340 7.312 1.028 1
1 253 . 4 1 1 A 30 30 ARG HA H 30 4.720 4.975 -0.255 1
1 260 . 4 1 1 A 30 30 ARG CA C 30 53.350 54.647 -1.297 1
1 261 . 4 1 1 A 30 30 ARG CB C 30 29.440 35.202 -5.762 1
1 264 . 4 1 1 A 30 30 ARG N N 30 112.890 117.553 -4.663 1
1 265 . 4 1 1 A 31 31 GLY H H 31 8.100 7.955 0.145 1
1 266 . 4 1 1 A 31 31 GLY HA2 H 31 4.540 4.465 0.075 1
1 267 . 4 1 1 A 31 31 GLY HA3 H 31 3.610 4.470 -0.860 1
1 268 . 4 1 1 A 31 31 GLY CA C 31 41.630 45.031 -3.401 1
1 269 . 4 1 1 A 31 31 GLY N N 31 103.670 108.710 -5.040 1
1 270 . 4 1 1 A 32 32 VAL H H 32 9.410 8.677 0.733 1
1 271 . 4 1 1 A 32 32 VAL HA H 32 4.450 5.124 -0.674 1
1 279 . 4 1 1 A 32 32 VAL CA C 32 58.730 59.949 -1.219 1
1 280 . 4 1 1 A 32 32 VAL CB C 32 32.560 35.766 -3.206 1
1 283 . 4 1 1 A 32 32 VAL N N 32 122.160 120.604 1.556 1
1 284 . 4 1 1 A 33 33 ALA H H 33 8.560 8.503 0.057 1
1 285 . 4 1 1 A 33 33 ALA HA H 33 3.620 3.959 -0.339 1
1 289 . 4 1 1 A 33 33 ALA CA C 33 50.860 53.951 -3.091 1
1 290 . 4 1 1 A 33 33 ALA CB C 33 14.450 18.547 -4.097 1
1 291 . 4 1 1 A 33 33 ALA N N 33 129.490 129.342 0.148 1
1 292 . 4 1 1 A 34 34 GLY H H 34 8.590 8.808 -0.218 1
1 293 . 4 1 1 A 34 34 GLY HA2 H 34 4.320 3.855 0.465 1
1 294 . 4 1 1 A 34 34 GLY HA3 H 34 3.420 3.873 -0.453 1
1 295 . 4 1 1 A 34 34 GLY CA C 34 42.710 47.081 -4.371 1
1 296 . 4 1 1 A 34 34 GLY N N 34 106.900 111.655 -4.755 1
1 297 . 4 1 1 A 35 35 VAL H H 35 7.840 7.465 0.375 1
1 298 . 4 1 1 A 35 35 VAL HA H 35 4.450 4.375 0.075 1
1 306 . 4 1 1 A 35 35 VAL CA C 35 56.660 59.131 -2.471 1
1 307 . 4 1 1 A 35 35 VAL CB C 35 32.030 33.871 -1.841 1
1 310 . 4 1 1 A 35 35 VAL N N 35 121.520 119.452 2.068 1
1 311 . 4 1 1 A 36 36 PRO HA H 36 4.260 4.326 -0.066 1
1 318 . 4 1 1 A 36 36 PRO CA C 36 60.720 62.728 -2.008 1
1 319 . 4 1 1 A 36 36 PRO CB C 36 28.760 32.248 -3.488 1
1 322 . 4 1 1 A 37 37 ALA H H 37 8.920 8.192 0.728 1
1 323 . 4 1 1 A 37 37 ALA HA H 37 4.490 5.006 -0.516 1
1 327 . 4 1 1 A 37 37 ALA CA C 37 47.550 51.001 -3.451 1
1 328 . 4 1 1 A 37 37 ALA CB C 37 17.110 24.323 -7.213 1
1 329 . 4 1 1 A 37 37 ALA N N 37 129.160 121.703 7.457 1
1 330 . 4 1 1 A 38 38 GLU H H 38 8.470 9.170 -0.700 1
1 331 . 4 1 1 A 38 38 GLU HA H 38 4.330 5.468 -1.138 1
1 336 . 4 1 1 A 38 38 GLU CA C 38 52.150 55.156 -3.006 1
1 337 . 4 1 1 A 38 38 GLU CB C 38 31.010 33.976 -2.966 1
1 339 . 4 1 1 A 38 38 GLU N N 38 117.150 116.000 1.150 1
1 340 . 4 1 1 A 39 39 PHE H H 39 8.870 8.221 0.649 1
1 341 . 4 1 1 A 39 39 PHE HA H 39 4.520 5.492 -0.972 1
1 344 . 4 1 1 A 39 39 PHE CA C 39 54.670 55.680 -1.010 1
1 345 . 4 1 1 A 39 39 PHE CB C 39 37.170 41.489 -4.319 1
1 346 . 4 1 1 A 39 39 PHE N N 39 115.740 117.700 -1.960 1
1 347 . 4 1 1 A 40 40 SER H H 40 8.870 8.548 0.322 1
1 348 . 4 1 1 A 40 40 SER HA H 40 5.420 5.477 -0.057 1
1 351 . 4 1 1 A 40 40 SER CA C 40 54.890 56.918 -2.028 1
1 352 . 4 1 1 A 40 40 SER CB C 40 63.790 66.281 -2.491 1
1 353 . 4 1 1 A 40 40 SER N N 40 113.140 115.450 -2.310 1
1 354 . 4 1 1 A 41 41 ILE H H 41 8.410 9.462 -1.052 1
1 355 . 4 1 1 A 41 41 ILE HA H 41 4.670 4.907 -0.237 1
1 365 . 4 1 1 A 41 41 ILE CA C 41 57.640 60.992 -3.352 1
1 366 . 4 1 1 A 41 41 ILE CB C 41 38.260 40.059 -1.799 1
1 370 . 4 1 1 A 41 41 ILE N N 41 118.020 123.136 -5.116 1
1 371 . 4 1 1 A 42 42 TRP H H 42 9.580 8.749 0.831 1
1 372 . 4 1 1 A 42 42 TRP HA H 42 4.870 5.224 -0.354 1
1 375 . 4 1 1 A 42 42 TRP CA C 42 56.240 56.437 -0.197 1
1 376 . 4 1 1 A 42 42 TRP CB C 42 27.690 32.266 -4.576 1
1 377 . 4 1 1 A 42 42 TRP N N 42 126.430 130.610 -4.180 1
1 378 . 4 1 1 A 43 43 THR H H 43 8.370 8.756 -0.386 1
1 379 . 4 1 1 A 43 43 THR HA H 43 3.800 4.347 -0.547 1
1 384 . 4 1 1 A 43 43 THR CA C 43 59.210 60.433 -1.223 1
1 385 . 4 1 1 A 43 43 THR CB C 43 67.070 71.146 -4.076 1
1 387 . 4 1 1 A 43 43 THR N N 43 112.460 120.531 -8.071 1
1 388 . 4 1 1 A 44 44 ARG HA H 44 3.910 4.644 -0.734 1
1 395 . 4 1 1 A 44 44 ARG CA C 44 57.190 56.100 1.090 1
1 396 . 4 1 1 A 44 44 ARG CB C 44 27.710 30.491 -2.781 1
1 399 . 4 1 1 A 45 45 GLU H H 45 8.260 8.442 -0.182 1
1 400 . 4 1 1 A 45 45 GLU HA H 45 4.160 4.532 -0.372 1
1 405 . 4 1 1 A 45 45 GLU CA C 45 54.510 58.002 -3.492 1
1 406 . 4 1 1 A 45 45 GLU CB C 45 27.510 31.633 -4.123 1
1 408 . 4 1 1 A 45 45 GLU N N 45 113.080 125.948 -12.868 1
1 409 . 4 1 1 A 46 46 ALA H H 46 7.550 8.266 -0.716 1
1 410 . 4 1 1 A 46 46 ALA HA H 46 3.870 4.108 -0.238 1
1 414 . 4 1 1 A 46 46 ALA CA C 46 50.350 54.629 -4.279 1
1 415 . 4 1 1 A 46 46 ALA CB C 46 18.120 19.499 -1.379 1
1 416 . 4 1 1 A 46 46 ALA N N 46 119.560 122.574 -3.014 1
1 417 . 4 1 1 A 47 47 GLY H H 47 7.450 7.398 0.052 1
1 418 . 4 1 1 A 47 47 GLY HA2 H 47 4.180 4.129 0.051 1
1 419 . 4 1 1 A 47 47 GLY HA3 H 47 3.630 4.152 -0.522 1
1 420 . 4 1 1 A 47 47 GLY CA C 47 41.940 44.529 -2.589 1
1 421 . 4 1 1 A 47 47 GLY N N 47 102.870 102.422 0.448 1
1 422 . 4 1 1 A 48 48 ALA H H 48 8.220 8.276 -0.056 1
1 423 . 4 1 1 A 48 48 ALA HA H 48 4.290 4.529 -0.239 1
1 427 . 4 1 1 A 48 48 ALA CA C 48 49.360 52.551 -3.191 1
1 428 . 4 1 1 A 48 48 ALA CB C 48 16.590 20.037 -3.447 1
1 429 . 4 1 1 A 48 48 ALA N N 48 120.390 123.312 -2.922 1
1 430 . 4 1 1 A 49 49 GLY H H 49 8.000 8.391 -0.391 1
1 431 . 4 1 1 A 49 49 GLY HA2 H 49 3.720 3.197 0.523 1
1 432 . 4 1 1 A 49 49 GLY HA3 H 49 3.720 3.918 -0.198 1
1 433 . 4 1 1 A 49 49 GLY CA C 49 43.000 45.599 -2.599 1
1 434 . 4 1 1 A 49 49 GLY N N 49 106.720 106.570 0.150 1
1 435 . 4 1 1 A 50 50 GLY H H 50 7.580 8.195 -0.615 1
1 436 . 4 1 1 A 50 50 GLY N N 50 104.780 107.845 -3.065 1
1 437 . 4 1 1 A 51 51 LEU HA H 51 5.300 5.303 -0.003 1
1 444 . 4 1 1 A 51 51 LEU CA C 51 50.270 53.967 -3.697 1
1 445 . 4 1 1 A 51 51 LEU CB C 51 42.930 44.252 -1.322 1
1 448 . 4 1 1 A 52 52 SER H H 52 9.110 8.537 0.573 1
1 449 . 4 1 1 A 52 52 SER HA H 52 5.180 4.945 0.235 1
1 452 . 4 1 1 A 52 52 SER CA C 52 53.700 58.648 -4.948 1
1 453 . 4 1 1 A 52 52 SER CB C 52 63.000 64.326 -1.326 1
1 454 . 4 1 1 A 52 52 SER N N 52 117.210 124.368 -7.158 1
1 455 . 4 1 1 A 53 53 ILE H H 53 8.330 8.774 -0.444 1
1 456 . 4 1 1 A 53 53 ILE HA H 53 4.930 5.004 -0.074 1
1 466 . 4 1 1 A 53 53 ILE CA C 53 57.220 60.697 -3.477 1
1 467 . 4 1 1 A 53 53 ILE CB C 53 37.710 40.476 -2.766 1
1 471 . 4 1 1 A 53 53 ILE N N 53 124.030 125.484 -1.454 1
1 472 . 4 1 1 A 54 54 ALA H H 54 8.920 8.656 0.264 1
1 473 . 4 1 1 A 54 54 ALA HA H 54 5.390 4.882 0.508 1
1 477 . 4 1 1 A 54 54 ALA CA C 54 47.440 50.571 -3.131 1
1 478 . 4 1 1 A 54 54 ALA CB C 54 19.810 20.266 -0.456 1
1 479 . 4 1 1 A 54 54 ALA N N 54 126.530 131.288 -4.758 1
1 480 . 4 1 1 A 55 55 VAL H H 55 9.010 8.686 0.324 1
1 481 . 4 1 1 A 55 55 VAL HA H 55 4.830 5.246 -0.416 1
1 489 . 4 1 1 A 55 55 VAL CA C 55 58.430 59.958 -1.528 1
1 490 . 4 1 1 A 55 55 VAL CB C 55 31.020 33.664 -2.644 1
1 493 . 4 1 1 A 55 55 VAL N N 55 119.590 119.053 0.537 1
1 494 . 4 1 1 A 56 56 GLU H H 56 9.270 8.886 0.384 1
1 495 . 4 1 1 A 56 56 GLU HA H 56 4.690 5.265 -0.575 1
1 500 . 4 1 1 A 56 56 GLU CA C 56 52.000 55.209 -3.209 1
1 501 . 4 1 1 A 56 56 GLU CB C 56 31.050 33.759 -2.709 1
1 503 . 4 1 1 A 56 56 GLU N N 56 127.360 124.284 3.076 1
1 504 . 4 1 1 A 57 57 GLY H H 57 8.620 8.259 0.361 1
1 505 . 4 1 1 A 57 57 GLY N N 57 108.540 111.513 -2.973 1
1 506 . 4 1 1 A 58 58 PRO HA H 58 4.480 4.323 0.157 1
1 513 . 4 1 1 A 58 58 PRO CA C 58 61.850 64.466 -2.616 1
1 514 . 4 1 1 A 58 58 PRO CB C 58 29.820 32.129 -2.309 1
1 517 . 4 1 1 A 59 59 SER H H 59 7.200 7.456 -0.256 1
1 518 . 4 1 1 A 59 59 SER HA H 59 4.620 5.011 -0.391 1
1 521 . 4 1 1 A 59 59 SER CA C 59 55.050 57.543 -2.493 1
1 522 . 4 1 1 A 59 59 SER CB C 59 63.650 67.522 -3.872 1
1 523 . 4 1 1 A 59 59 SER N N 59 106.970 114.101 -7.131 1
1 524 . 4 1 1 A 60 60 LYS H H 60 8.570 8.635 -0.065 1
1 525 . 4 1 1 A 60 60 LYS HA H 60 4.000 4.822 -0.822 1
1 534 . 4 1 1 A 60 60 LYS CA C 60 54.090 55.531 -1.441 1
1 535 . 4 1 1 A 60 60 LYS CB C 60 30.480 32.779 -2.299 1
1 539 . 4 1 1 A 60 60 LYS N N 60 118.890 122.866 -3.976 1
1 540 . 4 1 1 A 61 61 ALA H H 61 8.830 8.656 0.174 1
1 541 . 4 1 1 A 61 61 ALA HA H 61 4.930 4.570 0.360 1
1 545 . 4 1 1 A 61 61 ALA CA C 61 47.980 52.624 -4.644 1
1 546 . 4 1 1 A 61 61 ALA CB C 61 17.500 19.237 -1.737 1
1 547 . 4 1 1 A 61 61 ALA N N 61 127.130 128.430 -1.300 1
1 548 . 4 1 1 A 62 62 GLU H H 62 8.440 8.538 -0.098 1
1 549 . 4 1 1 A 62 62 GLU HA H 62 4.610 4.513 0.097 1
1 554 . 4 1 1 A 62 62 GLU CA C 62 52.800 55.862 -3.062 1
1 555 . 4 1 1 A 62 62 GLU CB C 62 27.620 30.845 -3.225 1
1 557 . 4 1 1 A 62 62 GLU N N 62 121.980 122.189 -0.209 1
1 558 . 4 1 1 A 63 63 ILE H H 63 8.710 8.561 0.149 1
1 559 . 4 1 1 A 63 63 ILE HA H 63 4.710 4.920 -0.210 1
1 569 . 4 1 1 A 63 63 ILE CA C 63 58.480 60.322 -1.842 1
1 570 . 4 1 1 A 63 63 ILE CB C 63 37.820 42.469 -4.649 1
1 574 . 4 1 1 A 63 63 ILE N N 63 125.400 123.613 1.787 1
1 575 . 4 1 1 A 64 64 ALA H H 64 9.350 8.389 0.961 1
1 576 . 4 1 1 A 64 64 ALA HA H 64 5.400 4.947 0.453 1
1 580 . 4 1 1 A 64 64 ALA CA C 64 47.440 51.617 -4.177 1
1 581 . 4 1 1 A 64 64 ALA CB C 64 19.750 21.129 -1.379 1
1 582 . 4 1 1 A 64 64 ALA N N 64 130.180 126.940 3.240 1
1 583 . 4 1 1 A 65 65 PHE H H 65 8.120 8.706 -0.586 1
1 584 . 4 1 1 A 65 65 PHE HA H 65 5.410 5.036 0.374 1
1 587 . 4 1 1 A 65 65 PHE CA C 65 53.210 56.157 -2.947 1
1 588 . 4 1 1 A 65 65 PHE CB C 65 40.490 40.168 0.322 1
1 589 . 4 1 1 A 65 65 PHE N N 65 115.800 121.562 -5.762 1
1 590 . 4 1 1 A 66 66 GLU H H 66 8.360 9.126 -0.766 1
1 591 . 4 1 1 A 66 66 GLU HA H 66 4.700 4.702 -0.002 1
1 596 . 4 1 1 A 66 66 GLU CA C 66 52.100 55.093 -2.993 1
1 597 . 4 1 1 A 66 66 GLU CB C 66 30.280 33.441 -3.161 1
1 599 . 4 1 1 A 66 66 GLU N N 66 120.390 122.685 -2.295 1
1 600 . 4 1 1 A 67 67 ASP H H 67 8.880 9.027 -0.147 1
1 601 . 4 1 1 A 67 67 ASP HA H 67 5.120 4.751 0.369 1
1 604 . 4 1 1 A 67 67 ASP CA C 67 51.070 54.449 -3.379 1
1 605 . 4 1 1 A 67 67 ASP CB C 67 38.310 40.807 -2.497 1
1 606 . 4 1 1 A 67 67 ASP N N 67 124.860 126.283 -1.423 1
1 607 . 4 1 1 A 68 68 ARG H H 68 8.330 9.154 -0.824 1
1 608 . 4 1 1 A 68 68 ARG HA H 68 4.170 4.528 -0.358 1
1 613 . 4 1 1 A 68 68 ARG CA C 68 54.170 56.900 -2.730 1
1 614 . 4 1 1 A 68 68 ARG CB C 68 27.740 31.754 -4.014 1
1 615 . 4 1 1 A 68 68 ARG N N 68 125.010 123.714 1.296 1
1 616 . 4 1 1 A 69 69 LYS H H 69 7.980 7.659 0.321 1
1 617 . 4 1 1 A 69 69 LYS HA H 69 4.030 4.439 -0.409 1
1 626 . 4 1 1 A 69 69 LYS CA C 69 55.530 55.202 0.328 1
1 627 . 4 1 1 A 69 69 LYS CB C 69 26.220 33.646 -7.426 1
1 631 . 4 1 1 A 69 69 LYS N N 69 118.110 116.397 1.713 1
1 632 . 4 1 1 A 70 70 ASP H H 70 7.930 8.232 -0.302 1
1 633 . 4 1 1 A 70 70 ASP HA H 70 4.330 4.417 -0.087 1
1 636 . 4 1 1 A 70 70 ASP CA C 70 52.540 55.636 -3.096 1
1 637 . 4 1 1 A 70 70 ASP CB C 70 40.020 40.438 -0.418 1
1 638 . 4 1 1 A 70 70 ASP N N 70 116.380 118.037 -1.657 1
1 639 . 4 1 1 A 71 71 GLY H H 71 9.080 8.167 0.913 1
1 640 . 4 1 1 A 71 71 GLY HA2 H 71 4.200 3.922 0.278 1
1 641 . 4 1 1 A 71 71 GLY HA3 H 71 3.630 4.019 -0.389 1
1 642 . 4 1 1 A 71 71 GLY CA C 71 42.480 45.925 -3.445 1
1 643 . 4 1 1 A 71 71 GLY N N 71 108.240 107.148 1.092 1
1 644 . 4 1 1 A 72 72 SER H H 72 8.400 8.034 0.366 1
1 645 . 4 1 1 A 72 72 SER HA H 72 5.470 4.722 0.748 1
1 648 . 4 1 1 A 72 72 SER CA C 72 54.440 58.676 -4.236 1
1 649 . 4 1 1 A 72 72 SER CB C 72 65.130 64.036 1.094 1
1 650 . 4 1 1 A 72 72 SER N N 72 116.980 115.556 1.424 1
1 651 . 4 1 1 A 73 73 CYS H H 73 8.810 8.759 0.051 1
1 652 . 4 1 1 A 73 73 CYS HA H 73 5.210 4.890 0.320 1
1 655 . 4 1 1 A 73 73 CYS CA C 73 53.240 58.568 -5.328 1
1 656 . 4 1 1 A 73 73 CYS CB C 73 28.520 28.646 -0.126 1
1 657 . 4 1 1 A 73 73 CYS N N 73 114.140 125.878 -11.738 1
1 658 . 4 1 1 A 74 74 GLY H H 74 8.880 8.583 0.297 1
1 659 . 4 1 1 A 74 74 GLY HA2 H 74 4.540 4.086 0.454 1
1 660 . 4 1 1 A 74 74 GLY HA3 H 74 3.610 4.118 -0.508 1
1 661 . 4 1 1 A 74 74 GLY CA C 74 41.630 44.733 -3.103 1
1 662 . 4 1 1 A 74 74 GLY N N 74 110.010 114.118 -4.108 1
1 663 . 4 1 1 A 75 75 VAL H H 75 8.480 8.263 0.217 1
1 664 . 4 1 1 A 75 75 VAL HA H 75 4.550 5.023 -0.473 1
1 672 . 4 1 1 A 75 75 VAL CA C 75 57.860 60.602 -2.742 1
1 673 . 4 1 1 A 75 75 VAL CB C 75 30.530 33.938 -3.408 1
1 676 . 4 1 1 A 75 75 VAL N N 75 122.510 125.410 -2.900 1
1 677 . 4 1 1 A 76 76 SER H H 76 8.700 9.266 -0.566 1
1 678 . 4 1 1 A 76 76 SER HA H 76 5.540 5.066 0.474 1
1 681 . 4 1 1 A 76 76 SER CA C 76 53.360 57.705 -4.345 1
1 682 . 4 1 1 A 76 76 SER CB C 76 63.190 64.093 -0.903 1
1 683 . 4 1 1 A 76 76 SER N N 76 118.910 126.257 -7.347 1
1 684 . 4 1 1 A 77 77 TYR H H 77 8.960 9.527 -0.567 1
1 685 . 4 1 1 A 77 77 TYR HA H 77 4.420 5.509 -1.089 1
1 688 . 4 1 1 A 77 77 TYR CA C 77 52.780 55.414 -2.634 1
1 689 . 4 1 1 A 77 77 TYR CB C 77 39.950 41.439 -1.489 1
1 690 . 4 1 1 A 77 77 TYR N N 77 118.060 122.451 -4.391 1
1 691 . 4 1 1 A 78 78 VAL H H 78 8.160 8.309 -0.149 1
1 692 . 4 1 1 A 78 78 VAL HA H 78 4.320 4.397 -0.077 1
1 700 . 4 1 1 A 78 78 VAL CA C 78 57.510 60.256 -2.746 1
1 701 . 4 1 1 A 78 78 VAL CB C 78 32.620 35.785 -3.165 1
1 704 . 4 1 1 A 78 78 VAL N N 78 116.800 119.405 -2.605 1
1 705 . 4 1 1 A 79 79 VAL H H 79 8.730 8.402 0.328 1
1 706 . 4 1 1 A 79 79 VAL HA H 79 4.760 4.606 0.154 1
1 714 . 4 1 1 A 79 79 VAL CA C 79 55.750 58.909 -3.159 1
1 715 . 4 1 1 A 79 79 VAL CB C 79 30.530 34.381 -3.851 1
1 718 . 4 1 1 A 79 79 VAL N N 79 119.730 120.536 -0.806 1
1 719 . 4 1 1 A 80 80 GLN H H 80 8.030 9.116 -1.086 1
1 720 . 4 1 1 A 80 80 GLN HA H 80 4.240 4.377 -0.137 1
1 725 . 4 1 1 A 80 80 GLN CA C 80 53.910 57.027 -3.117 1
1 726 . 4 1 1 A 80 80 GLN CB C 80 27.130 30.508 -3.378 1
1 728 . 4 1 1 A 80 80 GLN N N 80 116.150 122.411 -6.261 1
1 729 . 4 1 1 A 81 81 GLU H H 81 7.070 7.912 -0.842 1
1 730 . 4 1 1 A 81 81 GLU HA H 81 5.010 4.824 0.186 1
1 735 . 4 1 1 A 81 81 GLU CA C 81 49.600 54.246 -4.646 1
1 736 . 4 1 1 A 81 81 GLU CB C 81 29.410 32.056 -2.646 1
1 738 . 4 1 1 A 81 81 GLU N N 81 113.990 114.417 -0.427 1
1 739 . 4 1 1 A 82 82 PRO HA H 82 5.040 4.403 0.637 1
1 746 . 4 1 1 A 82 82 PRO CA C 82 59.910 63.764 -3.854 1
1 747 . 4 1 1 A 82 82 PRO CB C 82 29.280 32.272 -2.992 1
1 750 . 4 1 1 A 83 83 GLY H H 83 8.840 7.805 1.035 1
1 751 . 4 1 1 A 83 83 GLY CA C 83 41.780 44.659 -2.879 1
1 752 . 4 1 1 A 83 83 GLY N N 83 104.910 107.499 -2.589 1
1 753 . 4 1 1 A 84 84 ASP H H 84 8.250 8.453 -0.203 1
1 754 . 4 1 1 A 84 84 ASP HA H 84 5.260 5.006 0.254 1
1 757 . 4 1 1 A 84 84 ASP CA C 84 51.540 53.189 -1.649 1
1 758 . 4 1 1 A 84 84 ASP CB C 84 38.700 39.913 -1.213 1
1 759 . 4 1 1 A 84 84 ASP N N 84 118.800 120.717 -1.917 1
1 760 . 4 1 1 A 85 85 TYR H H 85 8.810 8.538 0.272 1
1 761 . 4 1 1 A 85 85 TYR HA H 85 3.970 4.838 -0.868 1
1 764 . 4 1 1 A 85 85 TYR CA C 85 53.930 59.544 -5.614 1
1 765 . 4 1 1 A 85 85 TYR CB C 85 37.760 39.519 -1.759 1
1 766 . 4 1 1 A 85 85 TYR N N 85 121.630 124.426 -2.796 1
1 767 . 4 1 1 A 86 86 GLU H H 86 9.320 8.990 0.330 1
1 768 . 4 1 1 A 86 86 GLU HA H 86 5.260 4.911 0.349 1
1 773 . 4 1 1 A 86 86 GLU CA C 86 52.350 54.715 -2.365 1
1 774 . 4 1 1 A 86 86 GLU CB C 86 30.070 32.142 -2.072 1
1 776 . 4 1 1 A 86 86 GLU N N 86 120.420 121.782 -1.362 1
1 777 . 4 1 1 A 87 87 VAL H H 87 9.810 8.241 1.569 1
1 778 . 4 1 1 A 87 87 VAL HA H 87 4.990 5.070 -0.080 1
1 786 . 4 1 1 A 87 87 VAL CA C 87 58.590 59.049 -0.459 1
1 787 . 4 1 1 A 87 87 VAL CB C 87 30.210 34.809 -4.599 1
1 790 . 4 1 1 A 87 87 VAL N N 87 129.200 123.651 5.549 1
1 791 . 4 1 1 A 88 88 SER H H 88 9.560 8.516 1.044 1
1 792 . 4 1 1 A 88 88 SER HA H 88 5.170 5.181 -0.011 1
1 795 . 4 1 1 A 88 88 SER CA C 88 55.170 57.726 -2.556 1
1 796 . 4 1 1 A 88 88 SER CB C 88 62.790 64.993 -2.203 1
1 797 . 4 1 1 A 88 88 SER N N 88 121.730 123.926 -2.196 1
1 798 . 4 1 1 A 89 89 ILE H H 89 9.570 8.916 0.654 1
1 799 . 4 1 1 A 89 89 ILE HA H 89 4.920 5.367 -0.447 1
1 809 . 4 1 1 A 89 89 ILE CA C 89 57.020 59.316 -2.296 1
1 810 . 4 1 1 A 89 89 ILE CB C 89 38.120 39.838 -1.718 1
1 814 . 4 1 1 A 89 89 ILE N N 89 125.650 121.866 3.784 1
1 815 . 4 1 1 A 90 90 LYS H H 90 8.760 8.557 0.203 1
1 816 . 4 1 1 A 90 90 LYS HA H 90 5.130 5.333 -0.203 1
1 825 . 4 1 1 A 90 90 LYS CA C 90 50.980 54.813 -3.833 1
1 826 . 4 1 1 A 90 90 LYS CB C 90 33.850 36.125 -2.275 1
1 830 . 4 1 1 A 90 90 LYS N N 90 122.170 124.463 -2.293 1
1 831 . 4 1 1 A 91 91 PHE H H 91 9.040 8.465 0.575 1
1 832 . 4 1 1 A 91 91 PHE HA H 91 5.330 4.679 0.651 1
1 835 . 4 1 1 A 91 91 PHE CA C 91 53.190 57.781 -4.591 1
1 836 . 4 1 1 A 91 91 PHE CB C 91 40.200 39.795 0.405 1
1 837 . 4 1 1 A 91 91 PHE N N 91 120.990 124.873 -3.883 1
1 838 . 4 1 1 A 92 92 ASN H H 92 9.210 10.295 -1.085 1
1 839 . 4 1 1 A 92 92 ASN HA H 92 4.220 4.175 0.045 1
1 842 . 4 1 1 A 92 92 ASN CA C 92 51.480 53.875 -2.395 1
1 843 . 4 1 1 A 92 92 ASN CB C 92 33.610 36.935 -3.325 1
1 844 . 4 1 1 A 92 92 ASN N N 92 127.010 125.278 1.732 1
1 845 . 4 1 1 A 93 93 ASP H H 93 8.760 8.492 0.268 1
1 846 . 4 1 1 A 93 93 ASP HA H 93 3.970 4.298 -0.328 1
1 849 . 4 1 1 A 93 93 ASP CA C 93 53.920 55.979 -2.059 1
1 850 . 4 1 1 A 93 93 ASP CB C 93 38.060 39.222 -1.162 1
1 851 . 4 1 1 A 93 93 ASP N N 93 107.220 111.111 -3.891 1
1 852 . 4 1 1 A 94 94 GLU H H 94 7.500 8.024 -0.524 1
1 853 . 4 1 1 A 94 94 GLU HA H 94 4.700 4.598 0.102 1
1 857 . 4 1 1 A 94 94 GLU CA C 94 51.940 55.481 -3.541 1
1 858 . 4 1 1 A 94 94 GLU CB C 94 29.680 29.998 -0.318 1
1 860 . 4 1 1 A 94 94 GLU N N 94 117.830 117.381 0.449 1
1 861 . 4 1 1 A 95 95 HIS H H 95 8.770 8.563 0.207 1
1 862 . 4 1 1 A 95 95 HIS HA H 95 4.480 4.742 -0.262 1
1 865 . 4 1 1 A 95 95 HIS CA C 95 56.530 55.751 0.779 1
1 866 . 4 1 1 A 95 95 HIS CB C 95 29.690 29.769 -0.079 1
1 867 . 4 1 1 A 95 95 HIS N N 95 121.910 121.077 0.833 1
1 868 . 4 1 1 A 96 96 ILE H H 96 8.110 8.541 -0.431 1
1 869 . 4 1 1 A 96 96 ILE HA H 96 4.310 4.191 0.119 1
1 871 . 4 1 1 A 96 96 ILE CA C 96 57.520 60.136 -2.616 1
1 872 . 4 1 1 A 96 96 ILE CB C 96 32.720 37.503 -4.783 1
1 873 . 4 1 1 A 96 96 ILE N N 96 116.370 120.503 -4.133 1
1 874 . 4 1 1 A 97 97 PRO CA C 97 63.500 65.527 -2.027 1
1 875 . 4 1 1 A 97 97 PRO CB C 97 28.690 31.650 -2.960 1
1 878 . 4 1 1 A 98 98 ASP H H 98 7.940 8.855 -0.915 1
1 879 . 4 1 1 A 98 98 ASP HA H 98 5.010 4.333 0.677 1
1 882 . 4 1 1 A 98 98 ASP CA C 98 54.510 57.523 -3.013 1
1 883 . 4 1 1 A 98 98 ASP CB C 98 37.760 40.547 -2.787 1
1 884 . 4 1 1 A 98 98 ASP N N 98 113.440 118.918 -5.478 1
1 885 . 4 1 1 A 99 99 SER H H 99 7.470 7.917 -0.447 1
1 886 . 4 1 1 A 99 99 SER HA H 99 4.230 4.831 -0.601 1
1 889 . 4 1 1 A 99 99 SER CA C 99 52.370 56.957 -4.587 1
1 890 . 4 1 1 A 99 99 SER CB C 99 60.430 63.091 -2.661 1
1 891 . 4 1 1 A 99 99 SER N N 99 110.680 112.454 -1.774 1
1 892 . 4 1 1 A 100 100 PRO HA H 100 4.550 4.994 -0.444 1
1 899 . 4 1 1 A 100 100 PRO CA C 100 59.920 62.423 -2.503 1
1 900 . 4 1 1 A 100 100 PRO CB C 100 31.880 31.819 0.061 1
1 903 . 4 1 1 A 101 101 PHE H H 101 9.270 8.109 1.161 1
1 904 . 4 1 1 A 101 101 PHE HA H 101 4.560 5.397 -0.837 1
1 907 . 4 1 1 A 101 101 PHE CA C 101 54.060 55.116 -1.056 1
1 908 . 4 1 1 A 101 101 PHE CB C 101 37.930 42.176 -4.246 1
1 909 . 4 1 1 A 101 101 PHE N N 101 119.180 118.399 0.781 1
1 910 . 4 1 1 A 102 102 VAL H H 102 8.760 8.717 0.043 1
1 911 . 4 1 1 A 102 102 VAL HA H 102 4.580 4.896 -0.316 1
1 919 . 4 1 1 A 102 102 VAL CA C 102 60.400 60.566 -0.166 1
1 920 . 4 1 1 A 102 102 VAL CB C 102 28.970 33.632 -4.662 1
1 923 . 4 1 1 A 102 102 VAL N N 102 123.120 121.195 1.925 1
1 924 . 4 1 1 A 103 103 VAL H H 103 9.520 9.853 -0.333 1
1 925 . 4 1 1 A 103 103 VAL HA H 103 4.390 4.792 -0.402 1
1 933 . 4 1 1 A 103 103 VAL CA C 103 57.200 59.325 -2.125 1
1 934 . 4 1 1 A 103 103 VAL CB C 103 32.060 33.342 -1.282 1
1 937 . 4 1 1 A 103 103 VAL N N 103 130.330 128.555 1.775 1
1 938 . 4 1 1 A 104 104 PRO HA H 104 4.370 4.652 -0.282 1
1 941 . 4 1 1 A 104 104 PRO CA C 104 60.240 62.773 -2.533 1
1 942 . 4 1 1 A 104 104 PRO CB C 104 29.660 31.785 -2.125 1
1 945 . 4 1 1 A 105 105 VAL H H 105 9.300 8.444 0.856 1
1 946 . 4 1 1 A 105 105 VAL HA H 105 4.300 4.780 -0.480 1
1 954 . 4 1 1 A 105 105 VAL CA C 105 59.210 61.624 -2.414 1
1 955 . 4 1 1 A 105 105 VAL CB C 105 28.840 33.101 -4.261 1
1 958 . 4 1 1 A 105 105 VAL N N 105 126.320 124.425 1.895 1
1 959 . 4 1 1 A 106 106 ALA H H 106 8.360 9.489 -1.129 1
1 960 . 4 1 1 A 106 106 ALA HA H 106 4.660 5.188 -0.528 1
1 964 . 4 1 1 A 106 106 ALA CA C 106 48.340 50.449 -2.109 1
1 965 . 4 1 1 A 106 106 ALA CB C 106 18.960 22.208 -3.248 1
1 966 . 4 1 1 A 106 106 ALA N N 106 130.550 129.005 1.545 1
1 967 . 4 1 1 A 107 107 SER H H 107 8.590 8.428 0.162 1
1 968 . 4 1 1 A 107 107 SER HA H 107 4.490 4.932 -0.442 1
1 971 . 4 1 1 A 107 107 SER CA C 107 55.570 57.518 -1.948 1
1 972 . 4 1 1 A 107 107 SER CB C 107 61.760 63.032 -1.272 1
1 973 . 4 1 1 A 107 107 SER N N 107 112.340 115.784 -3.444 1
1 974 . 4 1 1 A 108 108 LEU H H 108 8.660 8.756 -0.096 1
1 975 . 4 1 1 A 108 108 LEU HA H 108 4.300 3.948 0.352 1
1 985 . 4 1 1 A 108 108 LEU CA C 108 53.250 56.519 -3.269 1
1 986 . 4 1 1 A 108 108 LEU CB C 108 39.650 40.259 -0.609 1
1 990 . 4 1 1 A 108 108 LEU N N 108 123.200 120.218 2.982 1
1 991 . 4 1 1 A 109 109 SER H H 109 8.210 7.987 0.223 1
1 992 . 4 1 1 A 109 109 SER HA H 109 4.370 4.508 -0.138 1
1 995 . 4 1 1 A 109 109 SER CA C 109 55.810 59.568 -3.758 1
1 996 . 4 1 1 A 109 109 SER CB C 109 61.240 64.155 -2.915 1
1 997 . 4 1 1 A 109 109 SER N N 109 114.710 113.456 1.254 1
1 998 . 4 1 1 A 110 110 ASP H H 110 8.240 8.123 0.117 1
1 999 . 4 1 1 A 110 110 ASP HA H 110 4.500 4.392 0.108 1
1 1002 . 4 1 1 A 110 110 ASP CA C 110 52.740 55.535 -2.795 1
1 1003 . 4 1 1 A 110 110 ASP CB C 110 38.260 39.529 -1.269 1
1 1004 . 4 1 1 A 110 110 ASP N N 110 121.030 119.066 1.964 1
1 1005 . 4 1 1 A 111 111 ASP H H 111 8.210 7.848 0.362 1
1 1006 . 4 1 1 A 111 111 ASP HA H 111 4.500 4.811 -0.311 1
1 1009 . 4 1 1 A 111 111 ASP CA C 111 52.770 54.307 -1.537 1
1 1010 . 4 1 1 A 111 111 ASP CB C 111 38.290 42.934 -4.644 1
1 1011 . 4 1 1 A 111 111 ASP N N 111 118.910 114.931 3.979 1
1 1012 . 4 1 1 A 112 112 ALA H H 112 8.050 8.537 -0.487 1
1 1013 . 4 1 1 A 112 112 ALA HA H 112 4.170 4.036 0.134 1
1 1017 . 4 1 1 A 112 112 ALA CA C 112 50.710 54.313 -3.603 1
1 1018 . 4 1 1 A 112 112 ALA CB C 112 16.110 17.899 -1.789 1
1 1019 . 4 1 1 A 112 112 ALA N N 112 121.600 120.776 0.824 1
1 1020 . 4 1 1 A 113 113 ARG H H 113 7.960 8.412 -0.452 1
1 1021 . 4 1 1 A 113 113 ARG HA H 113 4.030 4.644 -0.614 1
1 1027 . 4 1 1 A 113 113 ARG CA C 113 55.200 55.069 0.131 1
1 1028 . 4 1 1 A 113 113 ARG CB C 113 27.730 32.500 -4.770 1
1 1031 . 4 1 1 A 113 113 ARG N N 113 116.640 119.938 -3.298 1
1 1032 . 4 1 1 A 114 114 ARG H H 114 7.930 8.556 -0.626 1
1 1033 . 4 1 1 A 114 114 ARG HA H 114 4.000 4.608 -0.608 1
1 1040 . 4 1 1 A 114 114 ARG CA C 114 53.940 55.796 -1.856 1
1 1041 . 4 1 1 A 114 114 ARG CB C 114 30.550 32.515 -1.965 1
1 1044 . 4 1 1 A 114 114 ARG N N 114 116.380 121.914 -5.534 1
1 1045 . 4 1 1 A 115 115 LEU H H 115 8.000 7.912 0.088 1
1 1046 . 4 1 1 A 115 115 LEU HA H 115 4.320 4.417 -0.097 1
1 1056 . 4 1 1 A 115 115 LEU CA C 115 52.870 55.849 -2.979 1
1 1057 . 4 1 1 A 115 115 LEU CB C 115 39.640 44.249 -4.609 1
1 1061 . 4 1 1 A 115 115 LEU N N 115 120.260 119.108 1.152 1
1 1062 . 4 1 1 A 116 116 THR H H 116 7.970 7.904 0.066 1
1 1063 . 4 1 1 A 116 116 THR HA H 116 4.390 4.295 0.095 1
1 1068 . 4 1 1 A 116 116 THR CA C 116 59.270 64.428 -5.158 1
1 1069 . 4 1 1 A 116 116 THR CB C 116 67.420 69.362 -1.942 1
1 1071 . 4 1 1 A 116 116 THR N N 116 113.250 113.582 -0.332 1
1 1072 . 4 1 1 A 117 117 VAL H H 117 8.070 8.108 -0.038 1
1 1073 . 4 1 1 A 117 117 VAL HA H 117 4.330 3.955 0.375 1
1 1078 . 4 1 1 A 117 117 VAL CA C 117 60.230 65.383 -5.153 1
1 1079 . 4 1 1 A 117 117 VAL CB C 117 30.360 31.801 -1.441 1
1 1081 . 4 1 1 A 117 117 VAL N N 117 120.990 119.519 1.471 1
1 1082 . 4 1 1 A 118 118 THR H H 118 8.210 8.018 0.192 1
1 1083 . 4 1 1 A 118 118 THR HA H 118 4.380 3.942 0.438 1
1 1088 . 4 1 1 A 118 118 THR CA C 118 58.770 63.117 -4.347 1
1 1089 . 4 1 1 A 118 118 THR CB C 118 67.420 67.664 -0.244 1
1 1091 . 4 1 1 A 118 118 THR N N 118 116.420 116.360 0.060 1
1 1098 . 4 2 2 B 6 6 GLU H H 6 8.780 7.726 1.054 1
1 1099 . 4 2 2 B 6 6 GLU HA H 6 4.160 4.873 -0.713 1
1 1104 . 4 2 2 B 8 8 ARG H H 8 8.200 8.492 -0.292 1
1 1105 . 4 2 2 B 8 8 ARG HA H 8 4.210 4.637 -0.427 1
1 1111 . 4 2 2 B 9 9 VAL H H 9 9.000 8.338 0.662 1
1 1112 . 4 2 2 B 9 9 VAL HA H 9 4.070 4.123 -0.053 1
1 1123 . 4 2 2 B 11 11 SER H H 11 8.490 8.755 -0.265 1
1 1126 . 4 2 2 B 12 12 SER HA H 12 4.410 5.291 -0.881 1
1 1129 . 4 2 2 B 13 13 VAL H H 13 8.800 8.670 0.130 1
1 1130 . 4 2 2 B 13 13 VAL HA H 13 4.010 4.866 -0.856 1
1 1138 . 4 2 2 B 14 14 PHE HA H 14 4.620 5.101 -0.481 1
1 1143 . 4 2 2 B 15 15 ILE H H 15 8.710 8.872 -0.162 1
1 1144 . 4 2 2 B 15 15 ILE HA H 15 4.140 4.641 -0.501 1
1 1154 . 4 2 2 B 16 16 THR HA H 16 4.220 5.158 -0.938 1
1 1159 . 4 2 2 B 17 17 LEU H H 17 8.270 8.940 -0.670 1
1 1160 . 4 2 2 B 17 17 LEU HA H 17 4.130 4.903 -0.773 1
1 1170 . 4 2 2 B 18 18 ALA HA H 18 4.500 4.903 -0.403 1
1 4 . 5 1 1 A 2 2 ILE H H 2 8.800 8.427 0.373 1
1 5 . 5 1 1 A 2 2 ILE N N 2 126.630 121.845 4.785 1
1 6 . 5 1 1 A 3 3 PRO HA H 3 4.360 4.289 0.071 1
1 13 . 5 1 1 A 3 3 PRO CA C 3 60.670 66.128 -5.458 1
1 14 . 5 1 1 A 3 3 PRO CB C 3 29.390 31.267 -1.877 1
1 17 . 5 1 1 A 4 4 GLU H H 4 8.270 8.182 0.088 1
1 18 . 5 1 1 A 4 4 GLU HA H 4 4.360 4.188 0.172 1
1 23 . 5 1 1 A 4 4 GLU CA C 4 53.690 58.140 -4.450 1
1 24 . 5 1 1 A 4 4 GLU CB C 4 29.430 29.525 -0.095 1
1 26 . 5 1 1 A 4 4 GLU N N 4 119.290 118.483 0.807 1
1 27 . 5 1 1 A 5 5 PHE H H 5 8.810 8.059 0.751 1
1 28 . 5 1 1 A 5 5 PHE N N 5 126.600 120.301 6.299 1
1 29 . 5 1 1 A 6 6 PHE H H 6 8.070 8.362 -0.292 1
1 30 . 5 1 1 A 6 6 PHE HA H 6 4.650 4.388 0.262 1
1 33 . 5 1 1 A 6 6 PHE CA C 6 54.920 58.764 -3.844 1
1 34 . 5 1 1 A 6 6 PHE CB C 6 37.190 39.120 -1.930 1
1 35 . 5 1 1 A 6 6 PHE N N 6 120.380 118.565 1.815 1
1 36 . 5 1 1 A 7 7 GLN H H 7 7.980 9.028 -1.048 1
1 37 . 5 1 1 A 7 7 GLN HA H 7 4.430 4.271 0.159 1
1 42 . 5 1 1 A 7 7 GLN CA C 7 54.860 57.248 -2.388 1
1 43 . 5 1 1 A 7 7 GLN CB C 7 26.570 28.424 -1.854 1
1 45 . 5 1 1 A 7 7 GLN N N 7 119.930 119.164 0.766 1
1 46 . 5 1 1 A 8 8 PHE H H 8 8.030 8.091 -0.061 1
1 47 . 5 1 1 A 8 8 PHE HA H 8 4.630 4.875 -0.245 1
1 50 . 5 1 1 A 8 8 PHE CA C 8 55.020 59.094 -4.074 1
1 51 . 5 1 1 A 8 8 PHE CB C 8 36.840 41.780 -4.940 1
1 52 . 5 1 1 A 8 8 PHE N N 8 119.560 119.244 0.316 1
1 53 . 5 1 1 A 9 9 THR H H 9 8.040 8.176 -0.136 1
1 54 . 5 1 1 A 9 9 THR HA H 9 4.300 4.436 -0.136 1
1 59 . 5 1 1 A 9 9 THR CA C 9 59.410 62.569 -3.159 1
1 60 . 5 1 1 A 9 9 THR CB C 9 67.440 68.875 -1.435 1
1 62 . 5 1 1 A 9 9 THR N N 9 114.650 112.784 1.866 1
1 63 . 5 1 1 A 10 10 VAL H H 10 8.070 7.949 0.121 1
1 64 . 5 1 1 A 10 10 VAL HA H 10 4.210 3.799 0.411 1
1 72 . 5 1 1 A 10 10 VAL CA C 10 59.470 64.801 -5.331 1
1 73 . 5 1 1 A 10 10 VAL CB C 10 30.180 32.355 -2.175 1
1 75 . 5 1 1 A 10 10 VAL N N 10 120.380 121.871 -1.491 1
1 76 . 5 1 1 A 11 11 GLY H H 11 8.200 7.557 0.643 1
1 77 . 5 1 1 A 11 11 GLY HA2 H 11 4.090 3.996 0.094 1
1 78 . 5 1 1 A 11 11 GLY HA3 H 11 4.000 3.996 0.004 1
1 79 . 5 1 1 A 11 11 GLY CA C 11 41.420 45.541 -4.121 1
1 80 . 5 1 1 A 11 11 GLY N N 11 110.910 109.205 1.705 1
1 81 . 5 1 1 A 12 12 PRO HA H 12 4.360 4.577 -0.217 1
1 88 . 5 1 1 A 12 12 PRO CA C 12 60.590 63.073 -2.483 1
1 89 . 5 1 1 A 12 12 PRO CB C 12 33.600 30.751 2.849 1
1 92 . 5 1 1 A 13 13 LEU H H 13 8.360 9.259 -0.899 1
1 93 . 5 1 1 A 13 13 LEU HA H 13 4.340 3.788 0.552 1
1 103 . 5 1 1 A 13 13 LEU CA C 13 52.800 55.400 -2.600 1
1 104 . 5 1 1 A 13 13 LEU CB C 13 39.650 39.537 0.113 1
1 108 . 5 1 1 A 13 13 LEU N N 13 120.390 119.244 1.146 1
1 109 . 5 1 1 A 14 14 GLY H H 14 8.240 8.321 -0.081 1
1 110 . 5 1 1 A 14 14 GLY HA2 H 14 3.960 3.914 0.046 1
1 111 . 5 1 1 A 14 14 GLY HA3 H 14 3.660 3.918 -0.258 1
1 112 . 5 1 1 A 14 14 GLY CA C 14 40.240 45.300 -5.060 1
1 113 . 5 1 1 A 14 14 GLY N N 14 107.860 108.794 -0.934 1
1 114 . 5 1 1 A 15 15 GLU H H 15 8.250 9.253 -1.003 1
1 115 . 5 1 1 A 15 15 GLU HA H 15 4.360 4.026 0.334 1
1 120 . 5 1 1 A 15 15 GLU CA C 15 53.920 57.711 -3.791 1
1 121 . 5 1 1 A 15 15 GLU CB C 15 27.800 28.885 -1.085 1
1 123 . 5 1 1 A 15 15 GLU N N 15 118.800 119.622 -0.822 1
1 124 . 5 1 1 A 16 16 GLY H H 16 8.460 8.623 -0.163 1
1 125 . 5 1 1 A 16 16 GLY HA2 H 16 3.960 4.050 -0.090 1
1 126 . 5 1 1 A 16 16 GLY HA3 H 16 3.880 4.067 -0.187 1
1 127 . 5 1 1 A 16 16 GLY CA C 16 42.490 44.717 -2.227 1
1 128 . 5 1 1 A 16 16 GLY N N 16 108.190 107.236 0.954 1
1 129 . 5 1 1 A 17 17 GLY H H 17 8.300 8.680 -0.380 1
1 130 . 5 1 1 A 17 17 GLY HA2 H 17 4.430 4.167 0.263 1
1 131 . 5 1 1 A 17 17 GLY HA3 H 17 3.780 4.282 -0.502 1
1 132 . 5 1 1 A 17 17 GLY CA C 17 42.550 45.848 -3.298 1
1 133 . 5 1 1 A 17 17 GLY N N 17 105.790 113.351 -7.561 1
1 134 . 5 1 1 A 18 18 ALA H H 18 8.800 9.012 -0.212 1
1 135 . 5 1 1 A 18 18 ALA HA H 18 3.760 4.143 -0.383 1
1 139 . 5 1 1 A 18 18 ALA CA C 18 52.780 54.244 -1.464 1
1 140 . 5 1 1 A 18 18 ALA CB C 18 16.810 18.472 -1.662 1
1 141 . 5 1 1 A 18 18 ALA N N 18 120.770 124.670 -3.900 1
1 142 . 5 1 1 A 19 19 HIS H H 19 8.230 7.963 0.267 1
1 143 . 5 1 1 A 19 19 HIS HA H 19 4.410 4.273 0.137 1
1 146 . 5 1 1 A 19 19 HIS CA C 19 54.740 59.158 -4.418 1
1 147 . 5 1 1 A 19 19 HIS CB C 19 26.240 30.180 -3.940 1
1 148 . 5 1 1 A 19 19 HIS N N 19 109.490 118.673 -9.183 1
1 149 . 5 1 1 A 20 20 LYS H H 20 7.570 8.040 -0.470 1
1 150 . 5 1 1 A 20 20 LYS HA H 20 4.170 4.198 -0.028 1
1 159 . 5 1 1 A 20 20 LYS CA C 20 52.100 57.328 -5.228 1
1 160 . 5 1 1 A 20 20 LYS CB C 20 29.850 32.424 -2.574 1
1 164 . 5 1 1 A 20 20 LYS N N 20 115.920 115.651 0.269 1
1 165 . 5 1 1 A 21 21 VAL H H 21 7.460 7.591 -0.131 1
1 166 . 5 1 1 A 21 21 VAL HA H 21 4.270 3.981 0.289 1
1 174 . 5 1 1 A 21 21 VAL CA C 21 60.730 62.022 -1.292 1
1 175 . 5 1 1 A 21 21 VAL CB C 21 29.340 32.010 -2.670 1
1 178 . 5 1 1 A 21 21 VAL N N 21 122.030 122.362 -0.332 1
1 179 . 5 1 1 A 22 22 ARG H H 22 7.840 9.280 -1.440 1
1 180 . 5 1 1 A 22 22 ARG HA H 22 5.100 5.153 -0.053 1
1 187 . 5 1 1 A 22 22 ARG CA C 22 51.230 54.747 -3.517 1
1 188 . 5 1 1 A 22 22 ARG CB C 22 31.930 32.193 -0.263 1
1 191 . 5 1 1 A 22 22 ARG N N 22 121.520 129.403 -7.883 1
1 192 . 5 1 1 A 23 23 ALA H H 23 8.920 8.811 0.109 1
1 193 . 5 1 1 A 23 23 ALA HA H 23 5.580 5.294 0.286 1
1 197 . 5 1 1 A 23 23 ALA CA C 23 47.810 51.252 -3.442 1
1 198 . 5 1 1 A 23 23 ALA CB C 23 21.660 21.750 -0.090 1
1 199 . 5 1 1 A 23 23 ALA N N 23 123.300 127.496 -4.196 1
1 200 . 5 1 1 A 24 24 GLY H H 24 8.450 8.474 -0.024 1
1 201 . 5 1 1 A 24 24 GLY HA2 H 24 4.200 4.284 -0.084 1
1 202 . 5 1 1 A 24 24 GLY HA3 H 24 4.160 4.303 -0.143 1
1 203 . 5 1 1 A 24 24 GLY CA C 24 43.560 45.240 -1.680 1
1 204 . 5 1 1 A 24 24 GLY N N 24 104.220 109.381 -5.161 1
1 205 . 5 1 1 A 25 25 GLY H H 25 8.770 8.421 0.349 1
1 206 . 5 1 1 A 25 25 GLY HA2 H 25 4.880 4.314 0.566 1
1 207 . 5 1 1 A 25 25 GLY HA3 H 25 4.050 4.409 -0.359 1
1 208 . 5 1 1 A 25 25 GLY CA C 25 42.110 45.940 -3.830 1
1 209 . 5 1 1 A 25 25 GLY N N 25 109.590 110.281 -0.691 1
1 210 . 5 1 1 A 26 26 THR H H 26 8.620 9.147 -0.527 1
1 211 . 5 1 1 A 26 26 THR HA H 26 4.030 3.964 0.066 1
1 216 . 5 1 1 A 26 26 THR CA C 26 63.280 66.198 -2.918 1
1 217 . 5 1 1 A 26 26 THR CB C 26 65.990 68.618 -2.628 1
1 219 . 5 1 1 A 26 26 THR N N 26 113.050 114.218 -1.168 1
1 220 . 5 1 1 A 27 27 GLY H H 27 9.040 8.177 0.863 1
1 221 . 5 1 1 A 27 27 GLY HA2 H 27 4.270 4.096 0.174 1
1 222 . 5 1 1 A 27 27 GLY HA3 H 27 3.390 4.265 -0.875 1
1 223 . 5 1 1 A 27 27 GLY CA C 27 44.250 46.790 -2.540 1
1 224 . 5 1 1 A 27 27 GLY N N 27 105.190 107.793 -2.603 1
1 225 . 5 1 1 A 28 28 LEU H H 28 7.450 7.933 -0.483 1
1 226 . 5 1 1 A 28 28 LEU HA H 28 4.210 3.849 0.361 1
1 236 . 5 1 1 A 28 28 LEU CA C 28 51.150 56.253 -5.103 1
1 237 . 5 1 1 A 28 28 LEU CB C 28 37.670 41.488 -3.818 1
1 241 . 5 1 1 A 28 28 LEU N N 28 114.980 121.834 -6.854 1
1 242 . 5 1 1 A 29 29 GLU H H 29 7.980 7.761 0.219 1
1 243 . 5 1 1 A 29 29 GLU HA H 29 4.540 4.309 0.231 1
1 248 . 5 1 1 A 29 29 GLU CA C 29 54.910 58.077 -3.167 1
1 249 . 5 1 1 A 29 29 GLU CB C 29 29.430 31.037 -1.607 1
1 251 . 5 1 1 A 29 29 GLU N N 29 117.810 116.741 1.069 1
1 252 . 5 1 1 A 30 30 ARG H H 30 8.340 7.374 0.966 1
1 253 . 5 1 1 A 30 30 ARG HA H 30 4.720 4.613 0.107 1
1 260 . 5 1 1 A 30 30 ARG CA C 30 53.350 54.940 -1.590 1
1 261 . 5 1 1 A 30 30 ARG CB C 30 29.440 31.621 -2.181 1
1 264 . 5 1 1 A 30 30 ARG N N 30 112.890 114.675 -1.785 1
1 265 . 5 1 1 A 31 31 GLY H H 31 8.100 8.081 0.019 1
1 266 . 5 1 1 A 31 31 GLY HA2 H 31 4.540 4.445 0.095 1
1 267 . 5 1 1 A 31 31 GLY HA3 H 31 3.610 4.472 -0.862 1
1 268 . 5 1 1 A 31 31 GLY CA C 31 41.630 45.543 -3.913 1
1 269 . 5 1 1 A 31 31 GLY N N 31 103.670 106.393 -2.723 1
1 270 . 5 1 1 A 32 32 VAL H H 32 9.410 8.441 0.969 1
1 271 . 5 1 1 A 32 32 VAL HA H 32 4.450 5.115 -0.665 1
1 279 . 5 1 1 A 32 32 VAL CA C 32 58.730 59.996 -1.266 1
1 280 . 5 1 1 A 32 32 VAL CB C 32 32.560 35.778 -3.218 1
1 283 . 5 1 1 A 32 32 VAL N N 32 122.160 120.225 1.935 1
1 284 . 5 1 1 A 33 33 ALA H H 33 8.560 8.520 0.040 1
1 285 . 5 1 1 A 33 33 ALA HA H 33 3.620 3.983 -0.363 1
1 289 . 5 1 1 A 33 33 ALA CA C 33 50.860 53.998 -3.138 1
1 290 . 5 1 1 A 33 33 ALA CB C 33 14.450 18.556 -4.106 1
1 291 . 5 1 1 A 33 33 ALA N N 33 129.490 129.354 0.136 1
1 292 . 5 1 1 A 34 34 GLY H H 34 8.590 8.842 -0.252 1
1 293 . 5 1 1 A 34 34 GLY HA2 H 34 4.320 3.883 0.437 1
1 294 . 5 1 1 A 34 34 GLY HA3 H 34 3.420 3.890 -0.470 1
1 295 . 5 1 1 A 34 34 GLY CA C 34 42.710 47.107 -4.397 1
1 296 . 5 1 1 A 34 34 GLY N N 34 106.900 111.699 -4.799 1
1 297 . 5 1 1 A 35 35 VAL H H 35 7.840 7.426 0.414 1
1 298 . 5 1 1 A 35 35 VAL HA H 35 4.450 4.405 0.045 1
1 306 . 5 1 1 A 35 35 VAL CA C 35 56.660 59.130 -2.470 1
1 307 . 5 1 1 A 35 35 VAL CB C 35 32.030 33.977 -1.947 1
1 310 . 5 1 1 A 35 35 VAL N N 35 121.520 119.587 1.933 1
1 311 . 5 1 1 A 36 36 PRO HA H 36 4.260 4.400 -0.140 1
1 318 . 5 1 1 A 36 36 PRO CA C 36 60.720 62.791 -2.071 1
1 319 . 5 1 1 A 36 36 PRO CB C 36 28.760 31.906 -3.146 1
1 322 . 5 1 1 A 37 37 ALA H H 37 8.920 7.817 1.103 1
1 323 . 5 1 1 A 37 37 ALA HA H 37 4.490 4.938 -0.448 1
1 327 . 5 1 1 A 37 37 ALA CA C 37 47.550 50.688 -3.138 1
1 328 . 5 1 1 A 37 37 ALA CB C 37 17.110 23.670 -6.560 1
1 329 . 5 1 1 A 37 37 ALA N N 37 129.160 122.703 6.457 1
1 330 . 5 1 1 A 38 38 GLU H H 38 8.470 8.997 -0.527 1
1 331 . 5 1 1 A 38 38 GLU HA H 38 4.330 5.458 -1.128 1
1 336 . 5 1 1 A 38 38 GLU CA C 38 52.150 55.647 -3.497 1
1 337 . 5 1 1 A 38 38 GLU CB C 38 31.010 32.981 -1.971 1
1 339 . 5 1 1 A 38 38 GLU N N 38 117.150 115.035 2.115 1
1 340 . 5 1 1 A 39 39 PHE H H 39 8.870 8.004 0.866 1
1 341 . 5 1 1 A 39 39 PHE HA H 39 4.520 5.464 -0.944 1
1 344 . 5 1 1 A 39 39 PHE CA C 39 54.670 55.489 -0.819 1
1 345 . 5 1 1 A 39 39 PHE CB C 39 37.170 41.800 -4.630 1
1 346 . 5 1 1 A 39 39 PHE N N 39 115.740 118.030 -2.290 1
1 347 . 5 1 1 A 40 40 SER H H 40 8.870 8.760 0.110 1
1 348 . 5 1 1 A 40 40 SER HA H 40 5.420 5.599 -0.179 1
1 351 . 5 1 1 A 40 40 SER CA C 40 54.890 56.514 -1.624 1
1 352 . 5 1 1 A 40 40 SER CB C 40 63.790 66.240 -2.450 1
1 353 . 5 1 1 A 40 40 SER N N 40 113.140 114.689 -1.549 1
1 354 . 5 1 1 A 41 41 ILE H H 41 8.410 9.205 -0.795 1
1 355 . 5 1 1 A 41 41 ILE HA H 41 4.670 5.003 -0.333 1
1 365 . 5 1 1 A 41 41 ILE CA C 41 57.640 60.916 -3.276 1
1 366 . 5 1 1 A 41 41 ILE CB C 41 38.260 40.130 -1.870 1
1 370 . 5 1 1 A 41 41 ILE N N 41 118.020 124.211 -6.191 1
1 371 . 5 1 1 A 42 42 TRP H H 42 9.580 8.701 0.879 1
1 372 . 5 1 1 A 42 42 TRP HA H 42 4.870 4.998 -0.128 1
1 375 . 5 1 1 A 42 42 TRP CA C 42 56.240 57.718 -1.478 1
1 376 . 5 1 1 A 42 42 TRP CB C 42 27.690 30.936 -3.246 1
1 377 . 5 1 1 A 42 42 TRP N N 42 126.430 130.759 -4.329 1
1 378 . 5 1 1 A 43 43 THR H H 43 8.370 7.998 0.372 1
1 379 . 5 1 1 A 43 43 THR HA H 43 3.800 4.221 -0.421 1
1 384 . 5 1 1 A 43 43 THR CA C 43 59.210 60.026 -0.816 1
1 385 . 5 1 1 A 43 43 THR CB C 43 67.070 69.536 -2.466 1
1 387 . 5 1 1 A 43 43 THR N N 43 112.460 119.832 -7.372 1
1 388 . 5 1 1 A 44 44 ARG HA H 44 3.910 3.726 0.184 1
1 395 . 5 1 1 A 44 44 ARG CA C 44 57.190 56.665 0.525 1
1 396 . 5 1 1 A 44 44 ARG CB C 44 27.710 28.446 -0.736 1
1 399 . 5 1 1 A 45 45 GLU H H 45 8.260 7.849 0.411 1
1 400 . 5 1 1 A 45 45 GLU HA H 45 4.160 4.559 -0.399 1
1 405 . 5 1 1 A 45 45 GLU CA C 45 54.510 57.921 -3.411 1
1 406 . 5 1 1 A 45 45 GLU CB C 45 27.510 32.209 -4.699 1
1 408 . 5 1 1 A 45 45 GLU N N 45 113.080 123.222 -10.142 1
1 409 . 5 1 1 A 46 46 ALA H H 46 7.550 8.282 -0.732 1
1 410 . 5 1 1 A 46 46 ALA HA H 46 3.870 4.155 -0.285 1
1 414 . 5 1 1 A 46 46 ALA CA C 46 50.350 54.695 -4.345 1
1 415 . 5 1 1 A 46 46 ALA CB C 46 18.120 19.696 -1.576 1
1 416 . 5 1 1 A 46 46 ALA N N 46 119.560 121.852 -2.292 1
1 417 . 5 1 1 A 47 47 GLY H H 47 7.450 7.426 0.024 1
1 418 . 5 1 1 A 47 47 GLY HA2 H 47 4.180 4.085 0.095 1
1 419 . 5 1 1 A 47 47 GLY HA3 H 47 3.630 4.104 -0.474 1
1 420 . 5 1 1 A 47 47 GLY CA C 47 41.940 45.291 -3.351 1
1 421 . 5 1 1 A 47 47 GLY N N 47 102.870 102.091 0.779 1
1 422 . 5 1 1 A 48 48 ALA H H 48 8.220 8.314 -0.094 1
1 423 . 5 1 1 A 48 48 ALA HA H 48 4.290 4.379 -0.089 1
1 427 . 5 1 1 A 48 48 ALA CA C 48 49.360 52.932 -3.572 1
1 428 . 5 1 1 A 48 48 ALA CB C 48 16.590 18.986 -2.396 1
1 429 . 5 1 1 A 48 48 ALA N N 48 120.390 123.173 -2.783 1
1 430 . 5 1 1 A 49 49 GLY H H 49 8.000 8.449 -0.449 1
1 431 . 5 1 1 A 49 49 GLY HA2 H 49 3.720 3.640 0.080 1
1 432 . 5 1 1 A 49 49 GLY HA3 H 49 3.720 4.124 -0.404 1
1 433 . 5 1 1 A 49 49 GLY CA C 49 43.000 45.911 -2.911 1
1 434 . 5 1 1 A 49 49 GLY N N 49 106.720 108.245 -1.525 1
1 435 . 5 1 1 A 50 50 GLY H H 50 7.580 7.904 -0.324 1
1 436 . 5 1 1 A 50 50 GLY N N 50 104.780 108.771 -3.991 1
1 437 . 5 1 1 A 51 51 LEU HA H 51 5.300 5.118 0.182 1
1 444 . 5 1 1 A 51 51 LEU CA C 51 50.270 54.065 -3.795 1
1 445 . 5 1 1 A 51 51 LEU CB C 51 42.930 43.593 -0.663 1
1 448 . 5 1 1 A 52 52 SER H H 52 9.110 8.411 0.699 1
1 449 . 5 1 1 A 52 52 SER HA H 52 5.180 5.068 0.112 1
1 452 . 5 1 1 A 52 52 SER CA C 52 53.700 58.553 -4.853 1
1 453 . 5 1 1 A 52 52 SER CB C 52 63.000 64.519 -1.519 1
1 454 . 5 1 1 A 52 52 SER N N 52 117.210 124.550 -7.340 1
1 455 . 5 1 1 A 53 53 ILE H H 53 8.330 8.763 -0.433 1
1 456 . 5 1 1 A 53 53 ILE HA H 53 4.930 5.095 -0.165 1
1 466 . 5 1 1 A 53 53 ILE CA C 53 57.220 60.442 -3.222 1
1 467 . 5 1 1 A 53 53 ILE CB C 53 37.710 41.213 -3.503 1
1 471 . 5 1 1 A 53 53 ILE N N 53 124.030 124.176 -0.146 1
1 472 . 5 1 1 A 54 54 ALA H H 54 8.920 8.497 0.423 1
1 473 . 5 1 1 A 54 54 ALA HA H 54 5.390 5.063 0.327 1
1 477 . 5 1 1 A 54 54 ALA CA C 54 47.440 50.241 -2.801 1
1 478 . 5 1 1 A 54 54 ALA CB C 54 19.810 20.509 -0.699 1
1 479 . 5 1 1 A 54 54 ALA N N 54 126.530 130.469 -3.939 1
1 480 . 5 1 1 A 55 55 VAL H H 55 9.010 8.755 0.255 1
1 481 . 5 1 1 A 55 55 VAL HA H 55 4.830 5.248 -0.418 1
1 489 . 5 1 1 A 55 55 VAL CA C 55 58.430 59.744 -1.314 1
1 490 . 5 1 1 A 55 55 VAL CB C 55 31.020 33.607 -2.587 1
1 493 . 5 1 1 A 55 55 VAL N N 55 119.590 119.193 0.397 1
1 494 . 5 1 1 A 56 56 GLU H H 56 9.270 8.922 0.348 1
1 495 . 5 1 1 A 56 56 GLU HA H 56 4.690 5.296 -0.606 1
1 500 . 5 1 1 A 56 56 GLU CA C 56 52.000 55.125 -3.125 1
1 501 . 5 1 1 A 56 56 GLU CB C 56 31.050 33.716 -2.666 1
1 503 . 5 1 1 A 56 56 GLU N N 56 127.360 124.010 3.350 1
1 504 . 5 1 1 A 57 57 GLY H H 57 8.620 8.289 0.331 1
1 505 . 5 1 1 A 57 57 GLY N N 57 108.540 111.641 -3.101 1
1 506 . 5 1 1 A 58 58 PRO HA H 58 4.480 4.338 0.142 1
1 513 . 5 1 1 A 58 58 PRO CA C 58 61.850 64.441 -2.591 1
1 514 . 5 1 1 A 58 58 PRO CB C 58 29.820 32.135 -2.315 1
1 517 . 5 1 1 A 59 59 SER H H 59 7.200 7.636 -0.436 1
1 518 . 5 1 1 A 59 59 SER HA H 59 4.620 5.061 -0.441 1
1 521 . 5 1 1 A 59 59 SER CA C 59 55.050 57.783 -2.733 1
1 522 . 5 1 1 A 59 59 SER CB C 59 63.650 67.317 -3.667 1
1 523 . 5 1 1 A 59 59 SER N N 59 106.970 113.838 -6.868 1
1 524 . 5 1 1 A 60 60 LYS H H 60 8.570 8.275 0.295 1
1 525 . 5 1 1 A 60 60 LYS HA H 60 4.000 4.641 -0.641 1
1 534 . 5 1 1 A 60 60 LYS CA C 60 54.090 55.715 -1.625 1
1 535 . 5 1 1 A 60 60 LYS CB C 60 30.480 31.964 -1.484 1
1 539 . 5 1 1 A 60 60 LYS N N 60 118.890 124.303 -5.413 1
1 540 . 5 1 1 A 61 61 ALA H H 61 8.830 8.246 0.584 1
1 541 . 5 1 1 A 61 61 ALA HA H 61 4.930 4.571 0.359 1
1 545 . 5 1 1 A 61 61 ALA CA C 61 47.980 52.733 -4.753 1
1 546 . 5 1 1 A 61 61 ALA CB C 61 17.500 19.126 -1.626 1
1 547 . 5 1 1 A 61 61 ALA N N 61 127.130 127.932 -0.802 1
1 548 . 5 1 1 A 62 62 GLU H H 62 8.440 8.187 0.253 1
1 549 . 5 1 1 A 62 62 GLU HA H 62 4.610 4.601 0.009 1
1 554 . 5 1 1 A 62 62 GLU CA C 62 52.800 56.469 -3.669 1
1 555 . 5 1 1 A 62 62 GLU CB C 62 27.620 31.180 -3.560 1
1 557 . 5 1 1 A 62 62 GLU N N 62 121.980 121.352 0.628 1
1 558 . 5 1 1 A 63 63 ILE H H 63 8.710 8.461 0.249 1
1 559 . 5 1 1 A 63 63 ILE HA H 63 4.710 5.236 -0.526 1
1 569 . 5 1 1 A 63 63 ILE CA C 63 58.480 59.922 -1.442 1
1 570 . 5 1 1 A 63 63 ILE CB C 63 37.820 42.293 -4.473 1
1 574 . 5 1 1 A 63 63 ILE N N 63 125.400 120.444 4.956 1
1 575 . 5 1 1 A 64 64 ALA H H 64 9.350 8.700 0.650 1
1 576 . 5 1 1 A 64 64 ALA HA H 64 5.400 4.965 0.435 1
1 580 . 5 1 1 A 64 64 ALA CA C 64 47.440 51.657 -4.217 1
1 581 . 5 1 1 A 64 64 ALA CB C 64 19.750 22.139 -2.389 1
1 582 . 5 1 1 A 64 64 ALA N N 64 130.180 125.896 4.284 1
1 583 . 5 1 1 A 65 65 PHE H H 65 8.120 8.583 -0.463 1
1 584 . 5 1 1 A 65 65 PHE HA H 65 5.410 5.353 0.057 1
1 587 . 5 1 1 A 65 65 PHE CA C 65 53.210 55.442 -2.232 1
1 588 . 5 1 1 A 65 65 PHE CB C 65 40.490 40.357 0.133 1
1 589 . 5 1 1 A 65 65 PHE N N 65 115.800 120.624 -4.824 1
1 590 . 5 1 1 A 66 66 GLU H H 66 8.360 9.332 -0.972 1
1 591 . 5 1 1 A 66 66 GLU HA H 66 4.700 4.788 -0.088 1
1 596 . 5 1 1 A 66 66 GLU CA C 66 52.100 55.193 -3.093 1
1 597 . 5 1 1 A 66 66 GLU CB C 66 30.280 33.369 -3.089 1
1 599 . 5 1 1 A 66 66 GLU N N 66 120.390 120.718 -0.328 1
1 600 . 5 1 1 A 67 67 ASP H H 67 8.880 9.022 -0.142 1
1 601 . 5 1 1 A 67 67 ASP HA H 67 5.120 4.911 0.209 1
1 604 . 5 1 1 A 67 67 ASP CA C 67 51.070 53.654 -2.584 1
1 605 . 5 1 1 A 67 67 ASP CB C 67 38.310 39.965 -1.655 1
1 606 . 5 1 1 A 67 67 ASP N N 67 124.860 126.192 -1.332 1
1 607 . 5 1 1 A 68 68 ARG H H 68 8.330 8.249 0.081 1
1 608 . 5 1 1 A 68 68 ARG HA H 68 4.170 4.565 -0.395 1
1 613 . 5 1 1 A 68 68 ARG CA C 68 54.170 54.943 -0.773 1
1 614 . 5 1 1 A 68 68 ARG CB C 68 27.740 32.214 -4.474 1
1 615 . 5 1 1 A 68 68 ARG N N 68 125.010 125.103 -0.093 1
1 616 . 5 1 1 A 69 69 LYS H H 69 7.980 9.431 -1.451 1
1 617 . 5 1 1 A 69 69 LYS HA H 69 4.030 3.995 0.035 1
1 626 . 5 1 1 A 69 69 LYS CA C 69 55.530 57.707 -2.177 1
1 627 . 5 1 1 A 69 69 LYS CB C 69 26.220 30.370 -4.150 1
1 631 . 5 1 1 A 69 69 LYS N N 69 118.110 118.378 -0.268 1
1 632 . 5 1 1 A 70 70 ASP H H 70 7.930 8.546 -0.616 1
1 633 . 5 1 1 A 70 70 ASP HA H 70 4.330 4.319 0.011 1
1 636 . 5 1 1 A 70 70 ASP CA C 70 52.540 55.588 -3.048 1
1 637 . 5 1 1 A 70 70 ASP CB C 70 40.020 40.485 -0.465 1
1 638 . 5 1 1 A 70 70 ASP N N 70 116.380 118.474 -2.094 1
1 639 . 5 1 1 A 71 71 GLY H H 71 9.080 7.949 1.131 1
1 640 . 5 1 1 A 71 71 GLY HA2 H 71 4.200 4.109 0.091 1
1 641 . 5 1 1 A 71 71 GLY HA3 H 71 3.630 4.337 -0.707 1
1 642 . 5 1 1 A 71 71 GLY CA C 71 42.480 45.682 -3.202 1
1 643 . 5 1 1 A 71 71 GLY N N 71 108.240 107.000 1.240 1
1 644 . 5 1 1 A 72 72 SER H H 72 8.400 7.735 0.665 1
1 645 . 5 1 1 A 72 72 SER HA H 72 5.470 4.964 0.506 1
1 648 . 5 1 1 A 72 72 SER CA C 72 54.440 57.442 -3.002 1
1 649 . 5 1 1 A 72 72 SER CB C 72 65.130 64.597 0.533 1
1 650 . 5 1 1 A 72 72 SER N N 72 116.980 116.630 0.350 1
1 651 . 5 1 1 A 73 73 CYS H H 73 8.810 8.441 0.369 1
1 652 . 5 1 1 A 73 73 CYS HA H 73 5.210 4.641 0.569 1
1 655 . 5 1 1 A 73 73 CYS CA C 73 53.240 59.176 -5.936 1
1 656 . 5 1 1 A 73 73 CYS CB C 73 28.520 28.590 -0.070 1
1 657 . 5 1 1 A 73 73 CYS N N 73 114.140 125.858 -11.718 1
1 658 . 5 1 1 A 74 74 GLY H H 74 8.880 8.975 -0.095 1
1 659 . 5 1 1 A 74 74 GLY HA2 H 74 4.540 4.178 0.362 1
1 660 . 5 1 1 A 74 74 GLY HA3 H 74 3.610 4.215 -0.605 1
1 661 . 5 1 1 A 74 74 GLY CA C 74 41.630 44.823 -3.193 1
1 662 . 5 1 1 A 74 74 GLY N N 74 110.010 112.008 -1.998 1
1 663 . 5 1 1 A 75 75 VAL H H 75 8.480 8.671 -0.191 1
1 664 . 5 1 1 A 75 75 VAL HA H 75 4.550 4.655 -0.105 1
1 672 . 5 1 1 A 75 75 VAL CA C 75 57.860 61.153 -3.293 1
1 673 . 5 1 1 A 75 75 VAL CB C 75 30.530 31.389 -0.859 1
1 676 . 5 1 1 A 75 75 VAL N N 75 122.510 126.543 -4.033 1
1 677 . 5 1 1 A 76 76 SER H H 76 8.700 10.054 -1.354 1
1 678 . 5 1 1 A 76 76 SER HA H 76 5.540 4.890 0.650 1
1 681 . 5 1 1 A 76 76 SER CA C 76 53.360 58.258 -4.898 1
1 682 . 5 1 1 A 76 76 SER CB C 76 63.190 64.811 -1.621 1
1 683 . 5 1 1 A 76 76 SER N N 76 118.910 124.162 -5.252 1
1 684 . 5 1 1 A 77 77 TYR H H 77 8.960 8.358 0.602 1
1 685 . 5 1 1 A 77 77 TYR HA H 77 4.420 5.569 -1.149 1
1 688 . 5 1 1 A 77 77 TYR CA C 77 52.780 56.106 -3.326 1
1 689 . 5 1 1 A 77 77 TYR CB C 77 39.950 40.714 -0.764 1
1 690 . 5 1 1 A 77 77 TYR N N 77 118.060 119.681 -1.621 1
1 691 . 5 1 1 A 78 78 VAL H H 78 8.160 8.299 -0.139 1
1 692 . 5 1 1 A 78 78 VAL HA H 78 4.320 4.433 -0.113 1
1 700 . 5 1 1 A 78 78 VAL CA C 78 57.510 60.197 -2.687 1
1 701 . 5 1 1 A 78 78 VAL CB C 78 32.620 34.902 -2.282 1
1 704 . 5 1 1 A 78 78 VAL N N 78 116.800 121.064 -4.264 1
1 705 . 5 1 1 A 79 79 VAL H H 79 8.730 8.545 0.185 1
1 706 . 5 1 1 A 79 79 VAL HA H 79 4.760 4.412 0.348 1
1 714 . 5 1 1 A 79 79 VAL CA C 79 55.750 60.672 -4.922 1
1 715 . 5 1 1 A 79 79 VAL CB C 79 30.530 33.551 -3.021 1
1 718 . 5 1 1 A 79 79 VAL N N 79 119.730 125.664 -5.934 1
1 719 . 5 1 1 A 80 80 GLN H H 80 8.030 9.221 -1.191 1
1 720 . 5 1 1 A 80 80 GLN HA H 80 4.240 4.401 -0.161 1
1 725 . 5 1 1 A 80 80 GLN CA C 80 53.910 57.105 -3.195 1
1 726 . 5 1 1 A 80 80 GLN CB C 80 27.130 30.476 -3.346 1
1 728 . 5 1 1 A 80 80 GLN N N 80 116.150 122.475 -6.325 1
1 729 . 5 1 1 A 81 81 GLU H H 81 7.070 8.056 -0.986 1
1 730 . 5 1 1 A 81 81 GLU HA H 81 5.010 4.847 0.163 1
1 735 . 5 1 1 A 81 81 GLU CA C 81 49.600 53.250 -3.650 1
1 736 . 5 1 1 A 81 81 GLU CB C 81 29.410 32.541 -3.131 1
1 738 . 5 1 1 A 81 81 GLU N N 81 113.990 116.214 -2.224 1
1 739 . 5 1 1 A 82 82 PRO HA H 82 5.040 4.364 0.676 1
1 746 . 5 1 1 A 82 82 PRO CA C 82 59.910 63.723 -3.813 1
1 747 . 5 1 1 A 82 82 PRO CB C 82 29.280 32.197 -2.917 1
1 750 . 5 1 1 A 83 83 GLY H H 83 8.840 7.778 1.062 1
1 751 . 5 1 1 A 83 83 GLY CA C 83 41.780 44.790 -3.010 1
1 752 . 5 1 1 A 83 83 GLY N N 83 104.910 108.073 -3.163 1
1 753 . 5 1 1 A 84 84 ASP H H 84 8.250 8.294 -0.044 1
1 754 . 5 1 1 A 84 84 ASP HA H 84 5.260 5.274 -0.014 1
1 757 . 5 1 1 A 84 84 ASP CA C 84 51.540 53.229 -1.689 1
1 758 . 5 1 1 A 84 84 ASP CB C 84 38.700 41.495 -2.795 1
1 759 . 5 1 1 A 84 84 ASP N N 84 118.800 121.203 -2.403 1
1 760 . 5 1 1 A 85 85 TYR H H 85 8.810 8.644 0.166 1
1 761 . 5 1 1 A 85 85 TYR HA H 85 3.970 4.969 -0.999 1
1 764 . 5 1 1 A 85 85 TYR CA C 85 53.930 58.835 -4.905 1
1 765 . 5 1 1 A 85 85 TYR CB C 85 37.760 39.485 -1.725 1
1 766 . 5 1 1 A 85 85 TYR N N 85 121.630 124.704 -3.074 1
1 767 . 5 1 1 A 86 86 GLU H H 86 9.320 8.867 0.453 1
1 768 . 5 1 1 A 86 86 GLU HA H 86 5.260 5.206 0.054 1
1 773 . 5 1 1 A 86 86 GLU CA C 86 52.350 55.079 -2.729 1
1 774 . 5 1 1 A 86 86 GLU CB C 86 30.070 32.307 -2.237 1
1 776 . 5 1 1 A 86 86 GLU N N 86 120.420 122.860 -2.440 1
1 777 . 5 1 1 A 87 87 VAL H H 87 9.810 8.304 1.506 1
1 778 . 5 1 1 A 87 87 VAL HA H 87 4.990 4.960 0.030 1
1 786 . 5 1 1 A 87 87 VAL CA C 87 58.590 59.134 -0.544 1
1 787 . 5 1 1 A 87 87 VAL CB C 87 30.210 34.854 -4.644 1
1 790 . 5 1 1 A 87 87 VAL N N 87 129.200 122.710 6.490 1
1 791 . 5 1 1 A 88 88 SER H H 88 9.560 8.635 0.925 1
1 792 . 5 1 1 A 88 88 SER HA H 88 5.170 5.574 -0.404 1
1 795 . 5 1 1 A 88 88 SER CA C 88 55.170 56.591 -1.421 1
1 796 . 5 1 1 A 88 88 SER CB C 88 62.790 64.629 -1.839 1
1 797 . 5 1 1 A 88 88 SER N N 88 121.730 123.744 -2.014 1
1 798 . 5 1 1 A 89 89 ILE H H 89 9.570 8.884 0.686 1
1 799 . 5 1 1 A 89 89 ILE HA H 89 4.920 5.336 -0.416 1
1 809 . 5 1 1 A 89 89 ILE CA C 89 57.020 59.260 -2.240 1
1 810 . 5 1 1 A 89 89 ILE CB C 89 38.120 39.986 -1.866 1
1 814 . 5 1 1 A 89 89 ILE N N 89 125.650 122.261 3.389 1
1 815 . 5 1 1 A 90 90 LYS H H 90 8.760 8.475 0.285 1
1 816 . 5 1 1 A 90 90 LYS HA H 90 5.130 5.242 -0.112 1
1 825 . 5 1 1 A 90 90 LYS CA C 90 50.980 54.579 -3.599 1
1 826 . 5 1 1 A 90 90 LYS CB C 90 33.850 35.537 -1.687 1
1 830 . 5 1 1 A 90 90 LYS N N 90 122.170 124.311 -2.141 1
1 831 . 5 1 1 A 91 91 PHE H H 91 9.040 8.356 0.684 1
1 832 . 5 1 1 A 91 91 PHE HA H 91 5.330 4.624 0.706 1
1 835 . 5 1 1 A 91 91 PHE CA C 91 53.190 57.597 -4.407 1
1 836 . 5 1 1 A 91 91 PHE CB C 91 40.200 39.578 0.622 1
1 837 . 5 1 1 A 91 91 PHE N N 91 120.990 125.364 -4.374 1
1 838 . 5 1 1 A 92 92 ASN H H 92 9.210 9.113 0.097 1
1 839 . 5 1 1 A 92 92 ASN HA H 92 4.220 4.166 0.054 1
1 842 . 5 1 1 A 92 92 ASN CA C 92 51.480 53.868 -2.388 1
1 843 . 5 1 1 A 92 92 ASN CB C 92 33.610 36.916 -3.306 1
1 844 . 5 1 1 A 92 92 ASN N N 92 127.010 125.214 1.796 1
1 845 . 5 1 1 A 93 93 ASP H H 93 8.760 8.417 0.343 1
1 846 . 5 1 1 A 93 93 ASP HA H 93 3.970 4.060 -0.090 1
1 849 . 5 1 1 A 93 93 ASP CA C 93 53.920 55.890 -1.970 1
1 850 . 5 1 1 A 93 93 ASP CB C 93 38.060 39.181 -1.121 1
1 851 . 5 1 1 A 93 93 ASP N N 93 107.220 110.849 -3.629 1
1 852 . 5 1 1 A 94 94 GLU H H 94 7.500 7.925 -0.425 1
1 853 . 5 1 1 A 94 94 GLU HA H 94 4.700 4.696 0.004 1
1 857 . 5 1 1 A 94 94 GLU CA C 94 51.940 55.296 -3.356 1
1 858 . 5 1 1 A 94 94 GLU CB C 94 29.680 30.321 -0.641 1
1 860 . 5 1 1 A 94 94 GLU N N 94 117.830 117.553 0.277 1
1 861 . 5 1 1 A 95 95 HIS H H 95 8.770 8.866 -0.096 1
1 862 . 5 1 1 A 95 95 HIS HA H 95 4.480 4.728 -0.248 1
1 865 . 5 1 1 A 95 95 HIS CA C 95 56.530 56.361 0.169 1
1 866 . 5 1 1 A 95 95 HIS CB C 95 29.690 29.052 0.638 1
1 867 . 5 1 1 A 95 95 HIS N N 95 121.910 124.215 -2.305 1
1 868 . 5 1 1 A 96 96 ILE H H 96 8.110 8.406 -0.296 1
1 869 . 5 1 1 A 96 96 ILE HA H 96 4.310 4.255 0.055 1
1 871 . 5 1 1 A 96 96 ILE CA C 96 57.520 60.194 -2.674 1
1 872 . 5 1 1 A 96 96 ILE CB C 96 32.720 37.748 -5.028 1
1 873 . 5 1 1 A 96 96 ILE N N 96 116.370 123.163 -6.793 1
1 874 . 5 1 1 A 97 97 PRO CA C 97 63.500 62.590 0.910 1
1 875 . 5 1 1 A 97 97 PRO CB C 97 28.690 29.349 -0.659 1
1 878 . 5 1 1 A 98 98 ASP H H 98 7.940 9.799 -1.859 1
1 879 . 5 1 1 A 98 98 ASP HA H 98 5.010 4.861 0.149 1
1 882 . 5 1 1 A 98 98 ASP CA C 98 54.510 55.220 -0.710 1
1 883 . 5 1 1 A 98 98 ASP CB C 98 37.760 43.620 -5.860 1
1 884 . 5 1 1 A 98 98 ASP N N 98 113.440 120.823 -7.383 1
1 885 . 5 1 1 A 99 99 SER H H 99 7.470 7.709 -0.239 1
1 886 . 5 1 1 A 99 99 SER HA H 99 4.230 4.738 -0.508 1
1 889 . 5 1 1 A 99 99 SER CA C 99 52.370 56.384 -4.014 1
1 890 . 5 1 1 A 99 99 SER CB C 99 60.430 63.902 -3.472 1
1 891 . 5 1 1 A 99 99 SER N N 99 110.680 114.876 -4.196 1
1 892 . 5 1 1 A 100 100 PRO HA H 100 4.550 5.022 -0.472 1
1 899 . 5 1 1 A 100 100 PRO CA C 100 59.920 62.453 -2.533 1
1 900 . 5 1 1 A 100 100 PRO CB C 100 31.880 31.827 0.053 1
1 903 . 5 1 1 A 101 101 PHE H H 101 9.270 7.791 1.479 1
1 904 . 5 1 1 A 101 101 PHE HA H 101 4.560 5.247 -0.687 1
1 907 . 5 1 1 A 101 101 PHE CA C 101 54.060 54.893 -0.833 1
1 908 . 5 1 1 A 101 101 PHE CB C 101 37.930 42.033 -4.103 1
1 909 . 5 1 1 A 101 101 PHE N N 101 119.180 118.630 0.550 1
1 910 . 5 1 1 A 102 102 VAL H H 102 8.760 8.624 0.136 1
1 911 . 5 1 1 A 102 102 VAL HA H 102 4.580 4.883 -0.303 1
1 919 . 5 1 1 A 102 102 VAL CA C 102 60.400 60.678 -0.278 1
1 920 . 5 1 1 A 102 102 VAL CB C 102 28.970 33.605 -4.635 1
1 923 . 5 1 1 A 102 102 VAL N N 102 123.120 121.169 1.951 1
1 924 . 5 1 1 A 103 103 VAL H H 103 9.520 10.222 -0.702 1
1 925 . 5 1 1 A 103 103 VAL HA H 103 4.390 4.789 -0.399 1
1 933 . 5 1 1 A 103 103 VAL CA C 103 57.200 59.353 -2.153 1
1 934 . 5 1 1 A 103 103 VAL CB C 103 32.060 33.097 -1.037 1
1 937 . 5 1 1 A 103 103 VAL N N 103 130.330 128.235 2.095 1
1 938 . 5 1 1 A 104 104 PRO HA H 104 4.370 4.837 -0.467 1
1 941 . 5 1 1 A 104 104 PRO CA C 104 60.240 62.783 -2.543 1
1 942 . 5 1 1 A 104 104 PRO CB C 104 29.660 31.750 -2.090 1
1 945 . 5 1 1 A 105 105 VAL H H 105 9.300 8.243 1.057 1
1 946 . 5 1 1 A 105 105 VAL HA H 105 4.300 4.655 -0.355 1
1 954 . 5 1 1 A 105 105 VAL CA C 105 59.210 61.915 -2.705 1
1 955 . 5 1 1 A 105 105 VAL CB C 105 28.840 32.509 -3.669 1
1 958 . 5 1 1 A 105 105 VAL N N 105 126.320 124.325 1.995 1
1 959 . 5 1 1 A 106 106 ALA H H 106 8.360 9.396 -1.036 1
1 960 . 5 1 1 A 106 106 ALA HA H 106 4.660 5.225 -0.565 1
1 964 . 5 1 1 A 106 106 ALA CA C 106 48.340 50.431 -2.091 1
1 965 . 5 1 1 A 106 106 ALA CB C 106 18.960 22.374 -3.414 1
1 966 . 5 1 1 A 106 106 ALA N N 106 130.550 128.989 1.561 1
1 967 . 5 1 1 A 107 107 SER H H 107 8.590 8.488 0.102 1
1 968 . 5 1 1 A 107 107 SER HA H 107 4.490 4.940 -0.450 1
1 971 . 5 1 1 A 107 107 SER CA C 107 55.570 57.518 -1.948 1
1 972 . 5 1 1 A 107 107 SER CB C 107 61.760 63.045 -1.285 1
1 973 . 5 1 1 A 107 107 SER N N 107 112.340 115.710 -3.370 1
1 974 . 5 1 1 A 108 108 LEU H H 108 8.660 8.759 -0.099 1
1 975 . 5 1 1 A 108 108 LEU HA H 108 4.300 3.950 0.350 1
1 985 . 5 1 1 A 108 108 LEU CA C 108 53.250 56.522 -3.272 1
1 986 . 5 1 1 A 108 108 LEU CB C 108 39.650 40.266 -0.616 1
1 990 . 5 1 1 A 108 108 LEU N N 108 123.200 120.210 2.990 1
1 991 . 5 1 1 A 109 109 SER H H 109 8.210 8.100 0.110 1
1 992 . 5 1 1 A 109 109 SER HA H 109 4.370 4.491 -0.121 1
1 995 . 5 1 1 A 109 109 SER CA C 109 55.810 58.744 -2.934 1
1 996 . 5 1 1 A 109 109 SER CB C 109 61.240 64.988 -3.748 1
1 997 . 5 1 1 A 109 109 SER N N 109 114.710 111.524 3.186 1
1 998 . 5 1 1 A 110 110 ASP H H 110 8.240 8.304 -0.064 1
1 999 . 5 1 1 A 110 110 ASP HA H 110 4.500 4.312 0.188 1
1 1002 . 5 1 1 A 110 110 ASP CA C 110 52.740 55.428 -2.688 1
1 1003 . 5 1 1 A 110 110 ASP CB C 110 38.260 40.263 -2.003 1
1 1004 . 5 1 1 A 110 110 ASP N N 110 121.030 120.601 0.429 1
1 1005 . 5 1 1 A 111 111 ASP H H 111 8.210 7.786 0.424 1
1 1006 . 5 1 1 A 111 111 ASP HA H 111 4.500 4.911 -0.411 1
1 1009 . 5 1 1 A 111 111 ASP CA C 111 52.770 54.995 -2.225 1
1 1010 . 5 1 1 A 111 111 ASP CB C 111 38.290 43.959 -5.669 1
1 1011 . 5 1 1 A 111 111 ASP N N 111 118.910 119.174 -0.264 1
1 1012 . 5 1 1 A 112 112 ALA H H 112 8.050 8.438 -0.388 1
1 1013 . 5 1 1 A 112 112 ALA HA H 112 4.170 4.039 0.131 1
1 1017 . 5 1 1 A 112 112 ALA CA C 112 50.710 52.801 -2.091 1
1 1018 . 5 1 1 A 112 112 ALA CB C 112 16.110 17.903 -1.793 1
1 1019 . 5 1 1 A 112 112 ALA N N 112 121.600 120.678 0.922 1
1 1020 . 5 1 1 A 113 113 ARG H H 113 7.960 8.148 -0.188 1
1 1021 . 5 1 1 A 113 113 ARG HA H 113 4.030 4.430 -0.400 1
1 1027 . 5 1 1 A 113 113 ARG CA C 113 55.200 55.863 -0.663 1
1 1028 . 5 1 1 A 113 113 ARG CB C 113 27.730 31.648 -3.918 1
1 1031 . 5 1 1 A 113 113 ARG N N 113 116.640 121.316 -4.676 1
1 1032 . 5 1 1 A 114 114 ARG H H 114 7.930 8.649 -0.719 1
1 1033 . 5 1 1 A 114 114 ARG HA H 114 4.000 4.530 -0.530 1
1 1040 . 5 1 1 A 114 114 ARG CA C 114 53.940 55.874 -1.934 1
1 1041 . 5 1 1 A 114 114 ARG CB C 114 30.550 32.039 -1.489 1
1 1044 . 5 1 1 A 114 114 ARG N N 114 116.380 122.118 -5.738 1
1 1045 . 5 1 1 A 115 115 LEU H H 115 8.000 7.913 0.087 1
1 1046 . 5 1 1 A 115 115 LEU HA H 115 4.320 4.409 -0.089 1
1 1056 . 5 1 1 A 115 115 LEU CA C 115 52.870 55.693 -2.823 1
1 1057 . 5 1 1 A 115 115 LEU CB C 115 39.640 44.060 -4.420 1
1 1061 . 5 1 1 A 115 115 LEU N N 115 120.260 119.063 1.197 1
1 1062 . 5 1 1 A 116 116 THR H H 116 7.970 7.882 0.088 1
1 1063 . 5 1 1 A 116 116 THR HA H 116 4.390 4.395 -0.005 1
1 1068 . 5 1 1 A 116 116 THR CA C 116 59.270 64.337 -5.067 1
1 1069 . 5 1 1 A 116 116 THR CB C 116 67.420 69.501 -2.081 1
1 1071 . 5 1 1 A 116 116 THR N N 116 113.250 112.470 0.780 1
1 1072 . 5 1 1 A 117 117 VAL H H 117 8.070 8.081 -0.011 1
1 1073 . 5 1 1 A 117 117 VAL HA H 117 4.330 3.956 0.374 1
1 1078 . 5 1 1 A 117 117 VAL CA C 117 60.230 65.382 -5.152 1
1 1079 . 5 1 1 A 117 117 VAL CB C 117 30.360 31.800 -1.440 1
1 1081 . 5 1 1 A 117 117 VAL N N 117 120.990 119.527 1.463 1
1 1082 . 5 1 1 A 118 118 THR H H 118 8.210 8.024 0.186 1
1 1083 . 5 1 1 A 118 118 THR HA H 118 4.380 3.958 0.422 1
1 1088 . 5 1 1 A 118 118 THR CA C 118 58.770 63.068 -4.298 1
1 1089 . 5 1 1 A 118 118 THR CB C 118 67.420 67.579 -0.159 1
1 1091 . 5 1 1 A 118 118 THR N N 118 116.420 116.351 0.069 1
1 1098 . 5 2 2 B 6 6 GLU H H 6 8.780 8.659 0.121 1
1 1099 . 5 2 2 B 6 6 GLU HA H 6 4.160 4.675 -0.515 1
1 1104 . 5 2 2 B 8 8 ARG H H 8 8.200 8.910 -0.710 1
1 1105 . 5 2 2 B 8 8 ARG HA H 8 4.210 4.529 -0.319 1
1 1111 . 5 2 2 B 9 9 VAL H H 9 9.000 7.415 1.585 1
1 1112 . 5 2 2 B 9 9 VAL HA H 9 4.070 4.428 -0.358 1
1 1123 . 5 2 2 B 11 11 SER H H 11 8.490 8.663 -0.173 1
1 1126 . 5 2 2 B 12 12 SER HA H 12 4.410 5.397 -0.987 1
1 1129 . 5 2 2 B 13 13 VAL H H 13 8.800 8.666 0.134 1
1 1130 . 5 2 2 B 13 13 VAL HA H 13 4.010 4.752 -0.742 1
1 1138 . 5 2 2 B 14 14 PHE HA H 14 4.620 5.104 -0.484 1
1 1143 . 5 2 2 B 15 15 ILE H H 15 8.710 8.702 0.008 1
1 1144 . 5 2 2 B 15 15 ILE HA H 15 4.140 4.564 -0.424 1
1 1154 . 5 2 2 B 16 16 THR HA H 16 4.220 5.103 -0.883 1
1 1159 . 5 2 2 B 17 17 LEU H H 17 8.270 8.677 -0.407 1
1 1160 . 5 2 2 B 17 17 LEU HA H 17 4.130 5.132 -1.002 1
1 1170 . 5 2 2 B 18 18 ALA HA H 18 4.500 4.831 -0.331 1
1 4 . 6 1 1 A 2 2 ILE H H 2 8.800 8.397 0.403 1
1 5 . 6 1 1 A 2 2 ILE N N 2 126.630 120.809 5.821 1
1 6 . 6 1 1 A 3 3 PRO HA H 3 4.360 4.181 0.179 1
1 13 . 6 1 1 A 3 3 PRO CA C 3 60.670 66.160 -5.490 1
1 14 . 6 1 1 A 3 3 PRO CB C 3 29.390 31.252 -1.862 1
1 17 . 6 1 1 A 4 4 GLU H H 4 8.270 8.223 0.047 1
1 18 . 6 1 1 A 4 4 GLU HA H 4 4.360 4.250 0.110 1
1 23 . 6 1 1 A 4 4 GLU CA C 4 53.690 58.224 -4.534 1
1 24 . 6 1 1 A 4 4 GLU CB C 4 29.430 29.609 -0.179 1
1 26 . 6 1 1 A 4 4 GLU N N 4 119.290 118.537 0.753 1
1 27 . 6 1 1 A 5 5 PHE H H 5 8.810 8.133 0.677 1
1 28 . 6 1 1 A 5 5 PHE N N 5 126.600 115.525 11.075 1
1 29 . 6 1 1 A 6 6 PHE H H 6 8.070 8.497 -0.427 1
1 30 . 6 1 1 A 6 6 PHE HA H 6 4.650 4.510 0.140 1
1 33 . 6 1 1 A 6 6 PHE CA C 6 54.920 59.076 -4.156 1
1 34 . 6 1 1 A 6 6 PHE CB C 6 37.190 39.333 -2.143 1
1 35 . 6 1 1 A 6 6 PHE N N 6 120.380 118.838 1.542 1
1 36 . 6 1 1 A 7 7 GLN H H 7 7.980 9.232 -1.252 1
1 37 . 6 1 1 A 7 7 GLN HA H 7 4.430 4.439 -0.009 1
1 42 . 6 1 1 A 7 7 GLN CA C 7 54.860 57.400 -2.540 1
1 43 . 6 1 1 A 7 7 GLN CB C 7 26.570 28.537 -1.967 1
1 45 . 6 1 1 A 7 7 GLN N N 7 119.930 119.389 0.541 1
1 46 . 6 1 1 A 8 8 PHE H H 8 8.030 8.175 -0.145 1
1 47 . 6 1 1 A 8 8 PHE HA H 8 4.630 4.906 -0.276 1
1 50 . 6 1 1 A 8 8 PHE CA C 8 55.020 59.184 -4.164 1
1 51 . 6 1 1 A 8 8 PHE CB C 8 36.840 41.833 -4.993 1
1 52 . 6 1 1 A 8 8 PHE N N 8 119.560 119.449 0.111 1
1 53 . 6 1 1 A 9 9 THR H H 9 8.040 8.197 -0.157 1
1 54 . 6 1 1 A 9 9 THR HA H 9 4.300 4.366 -0.066 1
1 59 . 6 1 1 A 9 9 THR CA C 9 59.410 62.369 -2.959 1
1 60 . 6 1 1 A 9 9 THR CB C 9 67.440 68.987 -1.547 1
1 62 . 6 1 1 A 9 9 THR N N 9 114.650 112.598 2.052 1
1 63 . 6 1 1 A 10 10 VAL H H 10 8.070 8.007 0.063 1
1 64 . 6 1 1 A 10 10 VAL HA H 10 4.210 3.910 0.300 1
1 72 . 6 1 1 A 10 10 VAL CA C 10 59.470 64.851 -5.381 1
1 73 . 6 1 1 A 10 10 VAL CB C 10 30.180 32.651 -2.471 1
1 75 . 6 1 1 A 10 10 VAL N N 10 120.380 121.814 -1.434 1
1 76 . 6 1 1 A 11 11 GLY H H 11 8.200 7.695 0.505 1
1 77 . 6 1 1 A 11 11 GLY HA2 H 11 4.090 4.010 0.080 1
1 78 . 6 1 1 A 11 11 GLY HA3 H 11 4.000 4.028 -0.028 1
1 79 . 6 1 1 A 11 11 GLY CA C 11 41.420 45.540 -4.120 1
1 80 . 6 1 1 A 11 11 GLY N N 11 110.910 109.115 1.795 1
1 81 . 6 1 1 A 12 12 PRO HA H 12 4.360 4.599 -0.239 1
1 88 . 6 1 1 A 12 12 PRO CA C 12 60.590 63.111 -2.521 1
1 89 . 6 1 1 A 12 12 PRO CB C 12 33.600 30.860 2.740 1
1 92 . 6 1 1 A 13 13 LEU H H 13 8.360 9.058 -0.698 1
1 93 . 6 1 1 A 13 13 LEU HA H 13 4.340 3.940 0.400 1
1 103 . 6 1 1 A 13 13 LEU CA C 13 52.800 55.573 -2.773 1
1 104 . 6 1 1 A 13 13 LEU CB C 13 39.650 39.730 -0.080 1
1 108 . 6 1 1 A 13 13 LEU N N 13 120.390 119.416 0.974 1
1 109 . 6 1 1 A 14 14 GLY H H 14 8.240 8.398 -0.158 1
1 110 . 6 1 1 A 14 14 GLY HA2 H 14 3.960 3.961 -0.001 1
1 111 . 6 1 1 A 14 14 GLY HA3 H 14 3.660 3.984 -0.324 1
1 112 . 6 1 1 A 14 14 GLY CA C 14 40.240 45.270 -5.030 1
1 113 . 6 1 1 A 14 14 GLY N N 14 107.860 108.886 -1.026 1
1 114 . 6 1 1 A 15 15 GLU H H 15 8.250 9.231 -0.981 1
1 115 . 6 1 1 A 15 15 GLU HA H 15 4.360 4.060 0.300 1
1 120 . 6 1 1 A 15 15 GLU CA C 15 53.920 57.633 -3.713 1
1 121 . 6 1 1 A 15 15 GLU CB C 15 27.800 28.922 -1.122 1
1 123 . 6 1 1 A 15 15 GLU N N 15 118.800 119.681 -0.881 1
1 124 . 6 1 1 A 16 16 GLY H H 16 8.460 8.617 -0.157 1
1 125 . 6 1 1 A 16 16 GLY HA2 H 16 3.960 4.055 -0.095 1
1 126 . 6 1 1 A 16 16 GLY HA3 H 16 3.880 4.069 -0.189 1
1 127 . 6 1 1 A 16 16 GLY CA C 16 42.490 44.750 -2.260 1
1 128 . 6 1 1 A 16 16 GLY N N 16 108.190 107.425 0.765 1
1 129 . 6 1 1 A 17 17 GLY H H 17 8.300 8.627 -0.327 1
1 130 . 6 1 1 A 17 17 GLY HA2 H 17 4.430 3.992 0.438 1
1 131 . 6 1 1 A 17 17 GLY HA3 H 17 3.780 4.190 -0.410 1
1 132 . 6 1 1 A 17 17 GLY CA C 17 42.550 45.761 -3.211 1
1 133 . 6 1 1 A 17 17 GLY N N 17 105.790 113.395 -7.605 1
1 134 . 6 1 1 A 18 18 ALA H H 18 8.800 9.286 -0.486 1
1 135 . 6 1 1 A 18 18 ALA HA H 18 3.760 4.337 -0.577 1
1 139 . 6 1 1 A 18 18 ALA CA C 18 52.780 54.323 -1.543 1
1 140 . 6 1 1 A 18 18 ALA CB C 18 16.810 18.587 -1.777 1
1 141 . 6 1 1 A 18 18 ALA N N 18 120.770 124.473 -3.703 1
1 142 . 6 1 1 A 19 19 HIS H H 19 8.230 7.899 0.331 1
1 143 . 6 1 1 A 19 19 HIS HA H 19 4.410 4.240 0.170 1
1 146 . 6 1 1 A 19 19 HIS CA C 19 54.740 59.007 -4.267 1
1 147 . 6 1 1 A 19 19 HIS CB C 19 26.240 30.330 -4.090 1
1 148 . 6 1 1 A 19 19 HIS N N 19 109.490 118.541 -9.051 1
1 149 . 6 1 1 A 20 20 LYS H H 20 7.570 8.043 -0.473 1
1 150 . 6 1 1 A 20 20 LYS HA H 20 4.170 3.970 0.200 1
1 159 . 6 1 1 A 20 20 LYS CA C 20 52.100 58.774 -6.674 1
1 160 . 6 1 1 A 20 20 LYS CB C 20 29.850 32.654 -2.804 1
1 164 . 6 1 1 A 20 20 LYS N N 20 115.920 116.336 -0.416 1
1 165 . 6 1 1 A 21 21 VAL H H 21 7.460 7.588 -0.128 1
1 166 . 6 1 1 A 21 21 VAL HA H 21 4.270 3.695 0.575 1
1 174 . 6 1 1 A 21 21 VAL CA C 21 60.730 62.877 -2.147 1
1 175 . 6 1 1 A 21 21 VAL CB C 21 29.340 31.956 -2.616 1
1 178 . 6 1 1 A 21 21 VAL N N 21 122.030 121.007 1.023 1
1 179 . 6 1 1 A 22 22 ARG H H 22 7.840 8.003 -0.163 1
1 180 . 6 1 1 A 22 22 ARG HA H 22 5.100 5.040 0.060 1
1 187 . 6 1 1 A 22 22 ARG CA C 22 51.230 54.053 -2.823 1
1 188 . 6 1 1 A 22 22 ARG CB C 22 31.930 33.046 -1.116 1
1 191 . 6 1 1 A 22 22 ARG N N 22 121.520 130.304 -8.784 1
1 192 . 6 1 1 A 23 23 ALA H H 23 8.920 8.914 0.006 1
1 193 . 6 1 1 A 23 23 ALA HA H 23 5.580 5.325 0.255 1
1 197 . 6 1 1 A 23 23 ALA CA C 23 47.810 50.561 -2.751 1
1 198 . 6 1 1 A 23 23 ALA CB C 23 21.660 21.696 -0.036 1
1 199 . 6 1 1 A 23 23 ALA N N 23 123.300 128.822 -5.522 1
1 200 . 6 1 1 A 24 24 GLY H H 24 8.450 8.761 -0.311 1
1 201 . 6 1 1 A 24 24 GLY HA2 H 24 4.200 4.281 -0.081 1
1 202 . 6 1 1 A 24 24 GLY HA3 H 24 4.160 4.327 -0.167 1
1 203 . 6 1 1 A 24 24 GLY CA C 24 43.560 44.981 -1.421 1
1 204 . 6 1 1 A 24 24 GLY N N 24 104.220 109.864 -5.644 1
1 205 . 6 1 1 A 25 25 GLY H H 25 8.770 8.379 0.391 1
1 206 . 6 1 1 A 25 25 GLY HA2 H 25 4.880 4.270 0.610 1
1 207 . 6 1 1 A 25 25 GLY HA3 H 25 4.050 4.359 -0.309 1
1 208 . 6 1 1 A 25 25 GLY CA C 25 42.110 45.879 -3.769 1
1 209 . 6 1 1 A 25 25 GLY N N 25 109.590 110.387 -0.797 1
1 210 . 6 1 1 A 26 26 THR H H 26 8.620 8.774 -0.154 1
1 211 . 6 1 1 A 26 26 THR HA H 26 4.030 4.113 -0.083 1
1 216 . 6 1 1 A 26 26 THR CA C 26 63.280 64.884 -1.604 1
1 217 . 6 1 1 A 26 26 THR CB C 26 65.990 68.933 -2.943 1
1 219 . 6 1 1 A 26 26 THR N N 26 113.050 113.602 -0.552 1
1 220 . 6 1 1 A 27 27 GLY H H 27 9.040 8.640 0.400 1
1 221 . 6 1 1 A 27 27 GLY HA2 H 27 4.270 4.199 0.071 1
1 222 . 6 1 1 A 27 27 GLY HA3 H 27 3.390 4.354 -0.964 1
1 223 . 6 1 1 A 27 27 GLY CA C 27 44.250 46.757 -2.507 1
1 224 . 6 1 1 A 27 27 GLY N N 27 105.190 112.365 -7.175 1
1 225 . 6 1 1 A 28 28 LEU H H 28 7.450 7.687 -0.237 1
1 226 . 6 1 1 A 28 28 LEU HA H 28 4.210 4.293 -0.083 1
1 236 . 6 1 1 A 28 28 LEU CA C 28 51.150 55.430 -4.280 1
1 237 . 6 1 1 A 28 28 LEU CB C 28 37.670 42.171 -4.501 1
1 241 . 6 1 1 A 28 28 LEU N N 28 114.980 121.218 -6.238 1
1 242 . 6 1 1 A 29 29 GLU H H 29 7.980 8.047 -0.067 1
1 243 . 6 1 1 A 29 29 GLU HA H 29 4.540 4.302 0.238 1
1 248 . 6 1 1 A 29 29 GLU CA C 29 54.910 58.188 -3.278 1
1 249 . 6 1 1 A 29 29 GLU CB C 29 29.430 30.807 -1.377 1
1 251 . 6 1 1 A 29 29 GLU N N 29 117.810 117.040 0.770 1
1 252 . 6 1 1 A 30 30 ARG H H 30 8.340 7.271 1.069 1
1 253 . 6 1 1 A 30 30 ARG HA H 30 4.720 4.727 -0.007 1
1 260 . 6 1 1 A 30 30 ARG CA C 30 53.350 54.974 -1.624 1
1 261 . 6 1 1 A 30 30 ARG CB C 30 29.440 32.398 -2.958 1
1 264 . 6 1 1 A 30 30 ARG N N 30 112.890 114.032 -1.142 1
1 265 . 6 1 1 A 31 31 GLY H H 31 8.100 8.008 0.092 1
1 266 . 6 1 1 A 31 31 GLY HA2 H 31 4.540 4.376 0.164 1
1 267 . 6 1 1 A 31 31 GLY HA3 H 31 3.610 4.382 -0.772 1
1 268 . 6 1 1 A 31 31 GLY CA C 31 41.630 45.469 -3.839 1
1 269 . 6 1 1 A 31 31 GLY N N 31 103.670 106.492 -2.822 1
1 270 . 6 1 1 A 32 32 VAL H H 32 9.410 8.407 1.003 1
1 271 . 6 1 1 A 32 32 VAL HA H 32 4.450 5.097 -0.647 1
1 279 . 6 1 1 A 32 32 VAL CA C 32 58.730 60.072 -1.342 1
1 280 . 6 1 1 A 32 32 VAL CB C 32 32.560 35.729 -3.169 1
1 283 . 6 1 1 A 32 32 VAL N N 32 122.160 120.196 1.964 1
1 284 . 6 1 1 A 33 33 ALA H H 33 8.560 8.527 0.033 1
1 285 . 6 1 1 A 33 33 ALA HA H 33 3.620 3.960 -0.340 1
1 289 . 6 1 1 A 33 33 ALA CA C 33 50.860 53.949 -3.089 1
1 290 . 6 1 1 A 33 33 ALA CB C 33 14.450 18.524 -4.074 1
1 291 . 6 1 1 A 33 33 ALA N N 33 129.490 129.303 0.187 1
1 292 . 6 1 1 A 34 34 GLY H H 34 8.590 8.754 -0.164 1
1 293 . 6 1 1 A 34 34 GLY HA2 H 34 4.320 3.857 0.463 1
1 294 . 6 1 1 A 34 34 GLY HA3 H 34 3.420 3.870 -0.450 1
1 295 . 6 1 1 A 34 34 GLY CA C 34 42.710 46.869 -4.159 1
1 296 . 6 1 1 A 34 34 GLY N N 34 106.900 111.561 -4.661 1
1 297 . 6 1 1 A 35 35 VAL H H 35 7.840 7.370 0.470 1
1 298 . 6 1 1 A 35 35 VAL HA H 35 4.450 4.385 0.065 1
1 306 . 6 1 1 A 35 35 VAL CA C 35 56.660 58.893 -2.233 1
1 307 . 6 1 1 A 35 35 VAL CB C 35 32.030 35.321 -3.291 1
1 310 . 6 1 1 A 35 35 VAL N N 35 121.520 119.706 1.814 1
1 311 . 6 1 1 A 36 36 PRO HA H 36 4.260 4.327 -0.067 1
1 318 . 6 1 1 A 36 36 PRO CA C 36 60.720 62.945 -2.225 1
1 319 . 6 1 1 A 36 36 PRO CB C 36 28.760 31.879 -3.119 1
1 322 . 6 1 1 A 37 37 ALA H H 37 8.920 7.937 0.983 1
1 323 . 6 1 1 A 37 37 ALA HA H 37 4.490 5.070 -0.580 1
1 327 . 6 1 1 A 37 37 ALA CA C 37 47.550 50.216 -2.666 1
1 328 . 6 1 1 A 37 37 ALA CB C 37 17.110 22.360 -5.250 1
1 329 . 6 1 1 A 37 37 ALA N N 37 129.160 125.626 3.534 1
1 330 . 6 1 1 A 38 38 GLU H H 38 8.470 8.968 -0.498 1
1 331 . 6 1 1 A 38 38 GLU HA H 38 4.330 5.412 -1.082 1
1 336 . 6 1 1 A 38 38 GLU CA C 38 52.150 55.278 -3.128 1
1 337 . 6 1 1 A 38 38 GLU CB C 38 31.010 33.686 -2.676 1
1 339 . 6 1 1 A 38 38 GLU N N 38 117.150 116.718 0.432 1
1 340 . 6 1 1 A 39 39 PHE H H 39 8.870 8.107 0.763 1
1 341 . 6 1 1 A 39 39 PHE HA H 39 4.520 5.522 -1.002 1
1 344 . 6 1 1 A 39 39 PHE CA C 39 54.670 55.528 -0.858 1
1 345 . 6 1 1 A 39 39 PHE CB C 39 37.170 41.762 -4.592 1
1 346 . 6 1 1 A 39 39 PHE N N 39 115.740 117.983 -2.243 1
1 347 . 6 1 1 A 40 40 SER H H 40 8.870 8.640 0.230 1
1 348 . 6 1 1 A 40 40 SER HA H 40 5.420 5.364 0.056 1
1 351 . 6 1 1 A 40 40 SER CA C 40 54.890 57.454 -2.564 1
1 352 . 6 1 1 A 40 40 SER CB C 40 63.790 65.472 -1.682 1
1 353 . 6 1 1 A 40 40 SER N N 40 113.140 115.542 -2.402 1
1 354 . 6 1 1 A 41 41 ILE H H 41 8.410 9.378 -0.968 1
1 355 . 6 1 1 A 41 41 ILE HA H 41 4.670 5.375 -0.705 1
1 365 . 6 1 1 A 41 41 ILE CA C 41 57.640 59.635 -1.995 1
1 366 . 6 1 1 A 41 41 ILE CB C 41 38.260 41.455 -3.195 1
1 370 . 6 1 1 A 41 41 ILE N N 41 118.020 125.710 -7.690 1
1 371 . 6 1 1 A 42 42 TRP H H 42 9.580 8.586 0.994 1
1 372 . 6 1 1 A 42 42 TRP HA H 42 4.870 5.391 -0.521 1
1 375 . 6 1 1 A 42 42 TRP CA C 42 56.240 55.573 0.667 1
1 376 . 6 1 1 A 42 42 TRP CB C 42 27.690 32.203 -4.513 1
1 377 . 6 1 1 A 42 42 TRP N N 42 126.430 123.088 3.342 1
1 378 . 6 1 1 A 43 43 THR H H 43 8.370 8.893 -0.523 1
1 379 . 6 1 1 A 43 43 THR HA H 43 3.800 3.866 -0.066 1
1 384 . 6 1 1 A 43 43 THR CA C 43 59.210 62.007 -2.797 1
1 385 . 6 1 1 A 43 43 THR CB C 43 67.070 66.581 0.489 1
1 387 . 6 1 1 A 43 43 THR N N 43 112.460 111.583 0.877 1
1 388 . 6 1 1 A 44 44 ARG HA H 44 3.910 4.556 -0.646 1
1 395 . 6 1 1 A 44 44 ARG CA C 44 57.190 54.547 2.643 1
1 396 . 6 1 1 A 44 44 ARG CB C 44 27.710 30.162 -2.452 1
1 399 . 6 1 1 A 45 45 GLU H H 45 8.260 8.091 0.169 1
1 400 . 6 1 1 A 45 45 GLU HA H 45 4.160 4.317 -0.157 1
1 405 . 6 1 1 A 45 45 GLU CA C 45 54.510 58.171 -3.661 1
1 406 . 6 1 1 A 45 45 GLU CB C 45 27.510 29.501 -1.991 1
1 408 . 6 1 1 A 45 45 GLU N N 45 113.080 120.641 -7.561 1
1 409 . 6 1 1 A 46 46 ALA H H 46 7.550 7.988 -0.438 1
1 410 . 6 1 1 A 46 46 ALA HA H 46 3.870 4.128 -0.258 1
1 414 . 6 1 1 A 46 46 ALA CA C 46 50.350 54.488 -4.138 1
1 415 . 6 1 1 A 46 46 ALA CB C 46 18.120 19.614 -1.494 1
1 416 . 6 1 1 A 46 46 ALA N N 46 119.560 121.495 -1.935 1
1 417 . 6 1 1 A 47 47 GLY H H 47 7.450 7.510 -0.060 1
1 418 . 6 1 1 A 47 47 GLY HA2 H 47 4.180 4.171 0.009 1
1 419 . 6 1 1 A 47 47 GLY HA3 H 47 3.630 4.175 -0.545 1
1 420 . 6 1 1 A 47 47 GLY CA C 47 41.940 44.179 -2.239 1
1 421 . 6 1 1 A 47 47 GLY N N 47 102.870 102.418 0.452 1
1 422 . 6 1 1 A 48 48 ALA H H 48 8.220 8.309 -0.089 1
1 423 . 6 1 1 A 48 48 ALA HA H 48 4.290 4.435 -0.145 1
1 427 . 6 1 1 A 48 48 ALA CA C 48 49.360 52.821 -3.461 1
1 428 . 6 1 1 A 48 48 ALA CB C 48 16.590 19.353 -2.763 1
1 429 . 6 1 1 A 48 48 ALA N N 48 120.390 123.394 -3.004 1
1 430 . 6 1 1 A 49 49 GLY H H 49 8.000 8.324 -0.324 1
1 431 . 6 1 1 A 49 49 GLY HA2 H 49 3.720 3.586 0.134 1
1 432 . 6 1 1 A 49 49 GLY HA3 H 49 3.720 4.073 -0.353 1
1 433 . 6 1 1 A 49 49 GLY CA C 49 43.000 45.887 -2.887 1
1 434 . 6 1 1 A 49 49 GLY N N 49 106.720 107.700 -0.980 1
1 435 . 6 1 1 A 50 50 GLY H H 50 7.580 7.968 -0.388 1
1 436 . 6 1 1 A 50 50 GLY N N 50 104.780 108.820 -4.040 1
1 437 . 6 1 1 A 51 51 LEU HA H 51 5.300 5.153 0.147 1
1 444 . 6 1 1 A 51 51 LEU CA C 51 50.270 54.048 -3.778 1
1 445 . 6 1 1 A 51 51 LEU CB C 51 42.930 43.514 -0.584 1
1 448 . 6 1 1 A 52 52 SER H H 52 9.110 8.349 0.761 1
1 449 . 6 1 1 A 52 52 SER HA H 52 5.180 4.861 0.319 1
1 452 . 6 1 1 A 52 52 SER CA C 52 53.700 58.890 -5.190 1
1 453 . 6 1 1 A 52 52 SER CB C 52 63.000 63.926 -0.926 1
1 454 . 6 1 1 A 52 52 SER N N 52 117.210 124.107 -6.897 1
1 455 . 6 1 1 A 53 53 ILE H H 53 8.330 8.835 -0.505 1
1 456 . 6 1 1 A 53 53 ILE HA H 53 4.930 5.059 -0.129 1
1 466 . 6 1 1 A 53 53 ILE CA C 53 57.220 60.242 -3.022 1
1 467 . 6 1 1 A 53 53 ILE CB C 53 37.710 41.215 -3.505 1
1 471 . 6 1 1 A 53 53 ILE N N 53 124.030 124.309 -0.279 1
1 472 . 6 1 1 A 54 54 ALA H H 54 8.920 8.577 0.343 1
1 473 . 6 1 1 A 54 54 ALA HA H 54 5.390 5.123 0.267 1
1 477 . 6 1 1 A 54 54 ALA CA C 54 47.440 50.323 -2.883 1
1 478 . 6 1 1 A 54 54 ALA CB C 54 19.810 20.720 -0.910 1
1 479 . 6 1 1 A 54 54 ALA N N 54 126.530 129.925 -3.395 1
1 480 . 6 1 1 A 55 55 VAL H H 55 9.010 9.044 -0.034 1
1 481 . 6 1 1 A 55 55 VAL HA H 55 4.830 4.968 -0.138 1
1 489 . 6 1 1 A 55 55 VAL CA C 55 58.430 61.187 -2.757 1
1 490 . 6 1 1 A 55 55 VAL CB C 55 31.020 33.394 -2.374 1
1 493 . 6 1 1 A 55 55 VAL N N 55 119.590 123.933 -4.343 1
1 494 . 6 1 1 A 56 56 GLU H H 56 9.270 8.848 0.422 1
1 495 . 6 1 1 A 56 56 GLU HA H 56 4.690 5.200 -0.510 1
1 500 . 6 1 1 A 56 56 GLU CA C 56 52.000 55.112 -3.112 1
1 501 . 6 1 1 A 56 56 GLU CB C 56 31.050 33.607 -2.557 1
1 503 . 6 1 1 A 56 56 GLU N N 56 127.360 126.243 1.117 1
1 504 . 6 1 1 A 57 57 GLY H H 57 8.620 8.192 0.428 1
1 505 . 6 1 1 A 57 57 GLY N N 57 108.540 111.683 -3.143 1
1 506 . 6 1 1 A 58 58 PRO HA H 58 4.480 4.326 0.154 1
1 513 . 6 1 1 A 58 58 PRO CA C 58 61.850 63.997 -2.147 1
1 514 . 6 1 1 A 58 58 PRO CB C 58 29.820 31.999 -2.179 1
1 517 . 6 1 1 A 59 59 SER H H 59 7.200 7.306 -0.106 1
1 518 . 6 1 1 A 59 59 SER HA H 59 4.620 4.976 -0.356 1
1 521 . 6 1 1 A 59 59 SER CA C 59 55.050 57.371 -2.321 1
1 522 . 6 1 1 A 59 59 SER CB C 59 63.650 66.266 -2.616 1
1 523 . 6 1 1 A 59 59 SER N N 59 106.970 108.615 -1.645 1
1 524 . 6 1 1 A 60 60 LYS H H 60 8.570 8.449 0.121 1
1 525 . 6 1 1 A 60 60 LYS HA H 60 4.000 5.021 -1.021 1
1 534 . 6 1 1 A 60 60 LYS CA C 60 54.090 55.744 -1.654 1
1 535 . 6 1 1 A 60 60 LYS CB C 60 30.480 33.984 -3.504 1
1 539 . 6 1 1 A 60 60 LYS N N 60 118.890 120.838 -1.948 1
1 540 . 6 1 1 A 61 61 ALA H H 61 8.830 8.931 -0.101 1
1 541 . 6 1 1 A 61 61 ALA HA H 61 4.930 4.810 0.120 1
1 545 . 6 1 1 A 61 61 ALA CA C 61 47.980 51.869 -3.889 1
1 546 . 6 1 1 A 61 61 ALA CB C 61 17.500 19.535 -2.035 1
1 547 . 6 1 1 A 61 61 ALA N N 61 127.130 128.144 -1.014 1
1 548 . 6 1 1 A 62 62 GLU H H 62 8.440 8.302 0.138 1
1 549 . 6 1 1 A 62 62 GLU HA H 62 4.610 4.488 0.122 1
1 554 . 6 1 1 A 62 62 GLU CA C 62 52.800 55.594 -2.794 1
1 555 . 6 1 1 A 62 62 GLU CB C 62 27.620 29.184 -1.564 1
1 557 . 6 1 1 A 62 62 GLU N N 62 121.980 122.202 -0.222 1
1 558 . 6 1 1 A 63 63 ILE H H 63 8.710 8.004 0.706 1
1 559 . 6 1 1 A 63 63 ILE HA H 63 4.710 4.437 0.273 1
1 569 . 6 1 1 A 63 63 ILE CA C 63 58.480 62.273 -3.793 1
1 570 . 6 1 1 A 63 63 ILE CB C 63 37.820 38.586 -0.766 1
1 574 . 6 1 1 A 63 63 ILE N N 63 125.400 127.248 -1.848 1
1 575 . 6 1 1 A 64 64 ALA H H 64 9.350 8.372 0.978 1
1 576 . 6 1 1 A 64 64 ALA HA H 64 5.400 4.871 0.529 1
1 580 . 6 1 1 A 64 64 ALA CA C 64 47.440 51.413 -3.973 1
1 581 . 6 1 1 A 64 64 ALA CB C 64 19.750 21.185 -1.435 1
1 582 . 6 1 1 A 64 64 ALA N N 64 130.180 124.952 5.228 1
1 583 . 6 1 1 A 65 65 PHE H H 65 8.120 8.166 -0.046 1
1 584 . 6 1 1 A 65 65 PHE HA H 65 5.410 4.996 0.414 1
1 587 . 6 1 1 A 65 65 PHE CA C 65 53.210 56.171 -2.961 1
1 588 . 6 1 1 A 65 65 PHE CB C 65 40.490 40.478 0.012 1
1 589 . 6 1 1 A 65 65 PHE N N 65 115.800 121.481 -5.681 1
1 590 . 6 1 1 A 66 66 GLU H H 66 8.360 8.893 -0.533 1
1 591 . 6 1 1 A 66 66 GLU HA H 66 4.700 4.801 -0.101 1
1 596 . 6 1 1 A 66 66 GLU CA C 66 52.100 55.088 -2.988 1
1 597 . 6 1 1 A 66 66 GLU CB C 66 30.280 32.910 -2.630 1
1 599 . 6 1 1 A 66 66 GLU N N 66 120.390 123.501 -3.111 1
1 600 . 6 1 1 A 67 67 ASP H H 67 8.880 8.916 -0.036 1
1 601 . 6 1 1 A 67 67 ASP HA H 67 5.120 4.809 0.311 1
1 604 . 6 1 1 A 67 67 ASP CA C 67 51.070 54.480 -3.410 1
1 605 . 6 1 1 A 67 67 ASP CB C 67 38.310 40.745 -2.435 1
1 606 . 6 1 1 A 67 67 ASP N N 67 124.860 126.759 -1.899 1
1 607 . 6 1 1 A 68 68 ARG H H 68 8.330 9.047 -0.717 1
1 608 . 6 1 1 A 68 68 ARG HA H 68 4.170 4.632 -0.462 1
1 613 . 6 1 1 A 68 68 ARG CA C 68 54.170 56.569 -2.399 1
1 614 . 6 1 1 A 68 68 ARG CB C 68 27.740 32.023 -4.283 1
1 615 . 6 1 1 A 68 68 ARG N N 68 125.010 122.732 2.278 1
1 616 . 6 1 1 A 69 69 LYS H H 69 7.980 7.690 0.290 1
1 617 . 6 1 1 A 69 69 LYS HA H 69 4.030 4.456 -0.426 1
1 626 . 6 1 1 A 69 69 LYS CA C 69 55.530 55.266 0.264 1
1 627 . 6 1 1 A 69 69 LYS CB C 69 26.220 33.169 -6.949 1
1 631 . 6 1 1 A 69 69 LYS N N 69 118.110 116.439 1.671 1
1 632 . 6 1 1 A 70 70 ASP H H 70 7.930 8.240 -0.310 1
1 633 . 6 1 1 A 70 70 ASP HA H 70 4.330 4.551 -0.221 1
1 636 . 6 1 1 A 70 70 ASP CA C 70 52.540 55.781 -3.241 1
1 637 . 6 1 1 A 70 70 ASP CB C 70 40.020 40.469 -0.449 1
1 638 . 6 1 1 A 70 70 ASP N N 70 116.380 117.875 -1.495 1
1 639 . 6 1 1 A 71 71 GLY H H 71 9.080 8.723 0.357 1
1 640 . 6 1 1 A 71 71 GLY HA2 H 71 4.200 4.048 0.152 1
1 641 . 6 1 1 A 71 71 GLY HA3 H 71 3.630 4.052 -0.422 1
1 642 . 6 1 1 A 71 71 GLY CA C 71 42.480 46.305 -3.825 1
1 643 . 6 1 1 A 71 71 GLY N N 71 108.240 106.845 1.395 1
1 644 . 6 1 1 A 72 72 SER H H 72 8.400 7.891 0.509 1
1 645 . 6 1 1 A 72 72 SER HA H 72 5.470 5.006 0.464 1
1 648 . 6 1 1 A 72 72 SER CA C 72 54.440 58.470 -4.030 1
1 649 . 6 1 1 A 72 72 SER CB C 72 65.130 63.313 1.817 1
1 650 . 6 1 1 A 72 72 SER N N 72 116.980 115.426 1.554 1
1 651 . 6 1 1 A 73 73 CYS H H 73 8.810 9.361 -0.551 1
1 652 . 6 1 1 A 73 73 CYS HA H 73 5.210 4.831 0.379 1
1 655 . 6 1 1 A 73 73 CYS CA C 73 53.240 58.205 -4.965 1
1 656 . 6 1 1 A 73 73 CYS CB C 73 28.520 28.029 0.491 1
1 657 . 6 1 1 A 73 73 CYS N N 73 114.140 125.223 -11.083 1
1 658 . 6 1 1 A 74 74 GLY H H 74 8.880 8.554 0.326 1
1 659 . 6 1 1 A 74 74 GLY HA2 H 74 4.540 4.084 0.456 1
1 660 . 6 1 1 A 74 74 GLY HA3 H 74 3.610 4.117 -0.507 1
1 661 . 6 1 1 A 74 74 GLY CA C 74 41.630 44.660 -3.030 1
1 662 . 6 1 1 A 74 74 GLY N N 74 110.010 114.078 -4.068 1
1 663 . 6 1 1 A 75 75 VAL H H 75 8.480 8.662 -0.182 1
1 664 . 6 1 1 A 75 75 VAL HA H 75 4.550 4.734 -0.184 1
1 672 . 6 1 1 A 75 75 VAL CA C 75 57.860 60.877 -3.017 1
1 673 . 6 1 1 A 75 75 VAL CB C 75 30.530 32.372 -1.842 1
1 676 . 6 1 1 A 75 75 VAL N N 75 122.510 126.434 -3.924 1
1 677 . 6 1 1 A 76 76 SER H H 76 8.700 8.978 -0.278 1
1 678 . 6 1 1 A 76 76 SER HA H 76 5.540 5.075 0.465 1
1 681 . 6 1 1 A 76 76 SER CA C 76 53.360 57.601 -4.241 1
1 682 . 6 1 1 A 76 76 SER CB C 76 63.190 64.057 -0.867 1
1 683 . 6 1 1 A 76 76 SER N N 76 118.910 124.026 -5.116 1
1 684 . 6 1 1 A 77 77 TYR H H 77 8.960 9.430 -0.470 1
1 685 . 6 1 1 A 77 77 TYR HA H 77 4.420 6.082 -1.662 1
1 688 . 6 1 1 A 77 77 TYR CA C 77 52.780 55.476 -2.696 1
1 689 . 6 1 1 A 77 77 TYR CB C 77 39.950 41.743 -1.793 1
1 690 . 6 1 1 A 77 77 TYR N N 77 118.060 122.729 -4.669 1
1 691 . 6 1 1 A 78 78 VAL H H 78 8.160 8.921 -0.761 1
1 692 . 6 1 1 A 78 78 VAL HA H 78 4.320 4.362 -0.042 1
1 700 . 6 1 1 A 78 78 VAL CA C 78 57.510 61.579 -4.069 1
1 701 . 6 1 1 A 78 78 VAL CB C 78 32.620 32.398 0.222 1
1 704 . 6 1 1 A 78 78 VAL N N 78 116.800 123.854 -7.054 1
1 705 . 6 1 1 A 79 79 VAL H H 79 8.730 8.276 0.454 1
1 706 . 6 1 1 A 79 79 VAL HA H 79 4.760 4.198 0.562 1
1 714 . 6 1 1 A 79 79 VAL CA C 79 55.750 61.672 -5.922 1
1 715 . 6 1 1 A 79 79 VAL CB C 79 30.530 33.343 -2.813 1
1 718 . 6 1 1 A 79 79 VAL N N 79 119.730 127.487 -7.757 1
1 719 . 6 1 1 A 80 80 GLN H H 80 8.030 9.176 -1.146 1
1 720 . 6 1 1 A 80 80 GLN HA H 80 4.240 4.442 -0.202 1
1 725 . 6 1 1 A 80 80 GLN CA C 80 53.910 57.064 -3.154 1
1 726 . 6 1 1 A 80 80 GLN CB C 80 27.130 30.558 -3.428 1
1 728 . 6 1 1 A 80 80 GLN N N 80 116.150 122.501 -6.351 1
1 729 . 6 1 1 A 81 81 GLU H H 81 7.070 8.065 -0.995 1
1 730 . 6 1 1 A 81 81 GLU HA H 81 5.010 4.777 0.233 1
1 735 . 6 1 1 A 81 81 GLU CA C 81 49.600 53.242 -3.642 1
1 736 . 6 1 1 A 81 81 GLU CB C 81 29.410 32.395 -2.985 1
1 738 . 6 1 1 A 81 81 GLU N N 81 113.990 116.398 -2.408 1
1 739 . 6 1 1 A 82 82 PRO HA H 82 5.040 4.402 0.638 1
1 746 . 6 1 1 A 82 82 PRO CA C 82 59.910 63.771 -3.861 1
1 747 . 6 1 1 A 82 82 PRO CB C 82 29.280 32.427 -3.147 1
1 750 . 6 1 1 A 83 83 GLY H H 83 8.840 7.802 1.038 1
1 751 . 6 1 1 A 83 83 GLY CA C 83 41.780 44.424 -2.644 1
1 752 . 6 1 1 A 83 83 GLY N N 83 104.910 107.643 -2.733 1
1 753 . 6 1 1 A 84 84 ASP H H 84 8.250 8.424 -0.174 1
1 754 . 6 1 1 A 84 84 ASP HA H 84 5.260 5.103 0.157 1
1 757 . 6 1 1 A 84 84 ASP CA C 84 51.540 53.227 -1.687 1
1 758 . 6 1 1 A 84 84 ASP CB C 84 38.700 40.816 -2.116 1
1 759 . 6 1 1 A 84 84 ASP N N 84 118.800 120.533 -1.733 1
1 760 . 6 1 1 A 85 85 TYR H H 85 8.810 8.612 0.198 1
1 761 . 6 1 1 A 85 85 TYR HA H 85 3.970 4.956 -0.986 1
1 764 . 6 1 1 A 85 85 TYR CA C 85 53.930 59.306 -5.376 1
1 765 . 6 1 1 A 85 85 TYR CB C 85 37.760 39.749 -1.989 1
1 766 . 6 1 1 A 85 85 TYR N N 85 121.630 124.558 -2.928 1
1 767 . 6 1 1 A 86 86 GLU H H 86 9.320 8.816 0.504 1
1 768 . 6 1 1 A 86 86 GLU HA H 86 5.260 5.186 0.074 1
1 773 . 6 1 1 A 86 86 GLU CA C 86 52.350 54.991 -2.641 1
1 774 . 6 1 1 A 86 86 GLU CB C 86 30.070 32.133 -2.063 1
1 776 . 6 1 1 A 86 86 GLU N N 86 120.420 122.444 -2.024 1
1 777 . 6 1 1 A 87 87 VAL H H 87 9.810 8.217 1.593 1
1 778 . 6 1 1 A 87 87 VAL HA H 87 4.990 4.909 0.081 1
1 786 . 6 1 1 A 87 87 VAL CA C 87 58.590 58.877 -0.287 1
1 787 . 6 1 1 A 87 87 VAL CB C 87 30.210 34.438 -4.228 1
1 790 . 6 1 1 A 87 87 VAL N N 87 129.200 122.808 6.392 1
1 791 . 6 1 1 A 88 88 SER H H 88 9.560 8.543 1.017 1
1 792 . 6 1 1 A 88 88 SER HA H 88 5.170 5.220 -0.050 1
1 795 . 6 1 1 A 88 88 SER CA C 88 55.170 56.620 -1.450 1
1 796 . 6 1 1 A 88 88 SER CB C 88 62.790 65.241 -2.451 1
1 797 . 6 1 1 A 88 88 SER N N 88 121.730 122.738 -1.008 1
1 798 . 6 1 1 A 89 89 ILE H H 89 9.570 8.987 0.583 1
1 799 . 6 1 1 A 89 89 ILE HA H 89 4.920 5.402 -0.482 1
1 809 . 6 1 1 A 89 89 ILE CA C 89 57.020 58.912 -1.892 1
1 810 . 6 1 1 A 89 89 ILE CB C 89 38.120 40.409 -2.289 1
1 814 . 6 1 1 A 89 89 ILE N N 89 125.650 121.840 3.810 1
1 815 . 6 1 1 A 90 90 LYS H H 90 8.760 8.616 0.144 1
1 816 . 6 1 1 A 90 90 LYS HA H 90 5.130 5.522 -0.392 1
1 825 . 6 1 1 A 90 90 LYS CA C 90 50.980 54.756 -3.776 1
1 826 . 6 1 1 A 90 90 LYS CB C 90 33.850 35.852 -2.002 1
1 830 . 6 1 1 A 90 90 LYS N N 90 122.170 122.920 -0.750 1
1 831 . 6 1 1 A 91 91 PHE H H 91 9.040 8.398 0.642 1
1 832 . 6 1 1 A 91 91 PHE HA H 91 5.330 4.709 0.621 1
1 835 . 6 1 1 A 91 91 PHE CA C 91 53.190 57.229 -4.039 1
1 836 . 6 1 1 A 91 91 PHE CB C 91 40.200 39.458 0.742 1
1 837 . 6 1 1 A 91 91 PHE N N 91 120.990 125.460 -4.470 1
1 838 . 6 1 1 A 92 92 ASN H H 92 9.210 9.547 -0.337 1
1 839 . 6 1 1 A 92 92 ASN HA H 92 4.220 4.239 -0.019 1
1 842 . 6 1 1 A 92 92 ASN CA C 92 51.480 54.089 -2.609 1
1 843 . 6 1 1 A 92 92 ASN CB C 92 33.610 37.076 -3.466 1
1 844 . 6 1 1 A 92 92 ASN N N 92 127.010 124.988 2.022 1
1 845 . 6 1 1 A 93 93 ASP H H 93 8.760 8.531 0.229 1
1 846 . 6 1 1 A 93 93 ASP HA H 93 3.970 4.291 -0.321 1
1 849 . 6 1 1 A 93 93 ASP CA C 93 53.920 56.065 -2.145 1
1 850 . 6 1 1 A 93 93 ASP CB C 93 38.060 39.316 -1.256 1
1 851 . 6 1 1 A 93 93 ASP N N 93 107.220 111.158 -3.938 1
1 852 . 6 1 1 A 94 94 GLU H H 94 7.500 8.016 -0.516 1
1 853 . 6 1 1 A 94 94 GLU HA H 94 4.700 4.440 0.260 1
1 857 . 6 1 1 A 94 94 GLU CA C 94 51.940 55.219 -3.279 1
1 858 . 6 1 1 A 94 94 GLU CB C 94 29.680 28.988 0.692 1
1 860 . 6 1 1 A 94 94 GLU N N 94 117.830 118.887 -1.057 1
1 861 . 6 1 1 A 95 95 HIS H H 95 8.770 8.665 0.105 1
1 862 . 6 1 1 A 95 95 HIS HA H 95 4.480 4.768 -0.288 1
1 865 . 6 1 1 A 95 95 HIS CA C 95 56.530 54.816 1.714 1
1 866 . 6 1 1 A 95 95 HIS CB C 95 29.690 29.614 0.076 1
1 867 . 6 1 1 A 95 95 HIS N N 95 121.910 127.377 -5.467 1
1 868 . 6 1 1 A 96 96 ILE H H 96 8.110 7.960 0.150 1
1 869 . 6 1 1 A 96 96 ILE HA H 96 4.310 4.184 0.126 1
1 871 . 6 1 1 A 96 96 ILE CA C 96 57.520 60.587 -3.067 1
1 872 . 6 1 1 A 96 96 ILE CB C 96 32.720 37.624 -4.904 1
1 873 . 6 1 1 A 96 96 ILE N N 96 116.370 128.513 -12.143 1
1 874 . 6 1 1 A 97 97 PRO CA C 97 63.500 64.450 -0.950 1
1 875 . 6 1 1 A 97 97 PRO CB C 97 28.690 31.841 -3.151 1
1 878 . 6 1 1 A 98 98 ASP H H 98 7.940 8.280 -0.340 1
1 879 . 6 1 1 A 98 98 ASP HA H 98 5.010 4.473 0.537 1
1 882 . 6 1 1 A 98 98 ASP CA C 98 54.510 56.865 -2.355 1
1 883 . 6 1 1 A 98 98 ASP CB C 98 37.760 41.072 -3.312 1
1 884 . 6 1 1 A 98 98 ASP N N 98 113.440 118.387 -4.947 1
1 885 . 6 1 1 A 99 99 SER H H 99 7.470 7.259 0.211 1
1 886 . 6 1 1 A 99 99 SER HA H 99 4.230 4.613 -0.383 1
1 889 . 6 1 1 A 99 99 SER CA C 99 52.370 56.717 -4.347 1
1 890 . 6 1 1 A 99 99 SER CB C 99 60.430 62.744 -2.314 1
1 891 . 6 1 1 A 99 99 SER N N 99 110.680 112.853 -2.173 1
1 892 . 6 1 1 A 100 100 PRO HA H 100 4.550 4.936 -0.386 1
1 899 . 6 1 1 A 100 100 PRO CA C 100 59.920 62.234 -2.314 1
1 900 . 6 1 1 A 100 100 PRO CB C 100 31.880 31.866 0.014 1
1 903 . 6 1 1 A 101 101 PHE H H 101 9.270 7.162 2.108 1
1 904 . 6 1 1 A 101 101 PHE HA H 101 4.560 4.728 -0.168 1
1 907 . 6 1 1 A 101 101 PHE CA C 101 54.060 56.001 -1.941 1
1 908 . 6 1 1 A 101 101 PHE CB C 101 37.930 40.791 -2.861 1
1 909 . 6 1 1 A 101 101 PHE N N 101 119.180 118.652 0.528 1
1 910 . 6 1 1 A 102 102 VAL H H 102 8.760 8.451 0.309 1
1 911 . 6 1 1 A 102 102 VAL HA H 102 4.580 4.944 -0.364 1
1 919 . 6 1 1 A 102 102 VAL CA C 102 60.400 60.385 0.015 1
1 920 . 6 1 1 A 102 102 VAL CB C 102 28.970 34.186 -5.216 1
1 923 . 6 1 1 A 102 102 VAL N N 102 123.120 121.325 1.795 1
1 924 . 6 1 1 A 103 103 VAL H H 103 9.520 9.925 -0.405 1
1 925 . 6 1 1 A 103 103 VAL HA H 103 4.390 4.759 -0.369 1
1 933 . 6 1 1 A 103 103 VAL CA C 103 57.200 59.334 -2.134 1
1 934 . 6 1 1 A 103 103 VAL CB C 103 32.060 33.058 -0.998 1
1 937 . 6 1 1 A 103 103 VAL N N 103 130.330 128.632 1.698 1
1 938 . 6 1 1 A 104 104 PRO HA H 104 4.370 4.825 -0.455 1
1 941 . 6 1 1 A 104 104 PRO CA C 104 60.240 62.690 -2.450 1
1 942 . 6 1 1 A 104 104 PRO CB C 104 29.660 31.788 -2.128 1
1 945 . 6 1 1 A 105 105 VAL H H 105 9.300 8.453 0.847 1
1 946 . 6 1 1 A 105 105 VAL HA H 105 4.300 4.770 -0.470 1
1 954 . 6 1 1 A 105 105 VAL CA C 105 59.210 61.793 -2.583 1
1 955 . 6 1 1 A 105 105 VAL CB C 105 28.840 33.057 -4.217 1
1 958 . 6 1 1 A 105 105 VAL N N 105 126.320 124.349 1.971 1
1 959 . 6 1 1 A 106 106 ALA H H 106 8.360 9.067 -0.707 1
1 960 . 6 1 1 A 106 106 ALA HA H 106 4.660 5.188 -0.528 1
1 964 . 6 1 1 A 106 106 ALA CA C 106 48.340 50.666 -2.326 1
1 965 . 6 1 1 A 106 106 ALA CB C 106 18.960 22.883 -3.923 1
1 966 . 6 1 1 A 106 106 ALA N N 106 130.550 128.465 2.085 1
1 967 . 6 1 1 A 107 107 SER H H 107 8.590 8.778 -0.188 1
1 968 . 6 1 1 A 107 107 SER HA H 107 4.490 4.609 -0.119 1
1 971 . 6 1 1 A 107 107 SER CA C 107 55.570 57.694 -2.124 1
1 972 . 6 1 1 A 107 107 SER CB C 107 61.760 61.626 0.134 1
1 973 . 6 1 1 A 107 107 SER N N 107 112.340 118.711 -6.371 1
1 974 . 6 1 1 A 108 108 LEU H H 108 8.660 8.157 0.503 1
1 975 . 6 1 1 A 108 108 LEU HA H 108 4.300 4.167 0.133 1
1 985 . 6 1 1 A 108 108 LEU CA C 108 53.250 56.309 -3.059 1
1 986 . 6 1 1 A 108 108 LEU CB C 108 39.650 42.015 -2.365 1
1 990 . 6 1 1 A 108 108 LEU N N 108 123.200 119.568 3.632 1
1 991 . 6 1 1 A 109 109 SER H H 109 8.210 8.287 -0.077 1
1 992 . 6 1 1 A 109 109 SER HA H 109 4.370 4.420 -0.050 1
1 995 . 6 1 1 A 109 109 SER CA C 109 55.810 60.423 -4.613 1
1 996 . 6 1 1 A 109 109 SER CB C 109 61.240 63.710 -2.470 1
1 997 . 6 1 1 A 109 109 SER N N 109 114.710 116.338 -1.628 1
1 998 . 6 1 1 A 110 110 ASP H H 110 8.240 8.236 0.004 1
1 999 . 6 1 1 A 110 110 ASP HA H 110 4.500 4.321 0.179 1
1 1002 . 6 1 1 A 110 110 ASP CA C 110 52.740 55.055 -2.315 1
1 1003 . 6 1 1 A 110 110 ASP CB C 110 38.260 38.613 -0.353 1
1 1004 . 6 1 1 A 110 110 ASP N N 110 121.030 120.414 0.616 1
1 1005 . 6 1 1 A 111 111 ASP H H 111 8.210 8.359 -0.149 1
1 1006 . 6 1 1 A 111 111 ASP HA H 111 4.500 4.770 -0.270 1
1 1009 . 6 1 1 A 111 111 ASP CA C 111 52.770 54.281 -1.511 1
1 1010 . 6 1 1 A 111 111 ASP CB C 111 38.290 43.261 -4.971 1
1 1011 . 6 1 1 A 111 111 ASP N N 111 118.910 118.495 0.415 1
1 1012 . 6 1 1 A 112 112 ALA H H 112 8.050 8.599 -0.549 1
1 1013 . 6 1 1 A 112 112 ALA HA H 112 4.170 3.956 0.214 1
1 1017 . 6 1 1 A 112 112 ALA CA C 112 50.710 52.925 -2.215 1
1 1018 . 6 1 1 A 112 112 ALA CB C 112 16.110 17.390 -1.280 1
1 1019 . 6 1 1 A 112 112 ALA N N 112 121.600 120.915 0.685 1
1 1020 . 6 1 1 A 113 113 ARG H H 113 7.960 8.353 -0.393 1
1 1021 . 6 1 1 A 113 113 ARG HA H 113 4.030 4.317 -0.287 1
1 1027 . 6 1 1 A 113 113 ARG CA C 113 55.200 56.027 -0.827 1
1 1028 . 6 1 1 A 113 113 ARG CB C 113 27.730 30.510 -2.780 1
1 1031 . 6 1 1 A 113 113 ARG N N 113 116.640 118.477 -1.837 1
1 1032 . 6 1 1 A 114 114 ARG H H 114 7.930 8.996 -1.066 1
1 1033 . 6 1 1 A 114 114 ARG HA H 114 4.000 4.413 -0.413 1
1 1040 . 6 1 1 A 114 114 ARG CA C 114 53.940 57.023 -3.083 1
1 1041 . 6 1 1 A 114 114 ARG CB C 114 30.550 30.624 -0.074 1
1 1044 . 6 1 1 A 114 114 ARG N N 114 116.380 124.705 -8.325 1
1 1045 . 6 1 1 A 115 115 LEU H H 115 8.000 7.591 0.409 1
1 1046 . 6 1 1 A 115 115 LEU HA H 115 4.320 4.415 -0.095 1
1 1056 . 6 1 1 A 115 115 LEU CA C 115 52.870 55.618 -2.748 1
1 1057 . 6 1 1 A 115 115 LEU CB C 115 39.640 43.991 -4.351 1
1 1061 . 6 1 1 A 115 115 LEU N N 115 120.260 119.244 1.016 1
1 1062 . 6 1 1 A 116 116 THR H H 116 7.970 7.874 0.096 1
1 1063 . 6 1 1 A 116 116 THR HA H 116 4.390 4.424 -0.034 1
1 1068 . 6 1 1 A 116 116 THR CA C 116 59.270 64.348 -5.078 1
1 1069 . 6 1 1 A 116 116 THR CB C 116 67.420 69.474 -2.054 1
1 1071 . 6 1 1 A 116 116 THR N N 116 113.250 112.114 1.136 1
1 1072 . 6 1 1 A 117 117 VAL H H 117 8.070 8.064 0.006 1
1 1073 . 6 1 1 A 117 117 VAL HA H 117 4.330 3.968 0.362 1
1 1078 . 6 1 1 A 117 117 VAL CA C 117 60.230 65.139 -4.909 1
1 1079 . 6 1 1 A 117 117 VAL CB C 117 30.360 31.776 -1.416 1
1 1081 . 6 1 1 A 117 117 VAL N N 117 120.990 119.543 1.447 1
1 1082 . 6 1 1 A 118 118 THR H H 118 8.210 8.059 0.151 1
1 1083 . 6 1 1 A 118 118 THR HA H 118 4.380 3.945 0.435 1
1 1088 . 6 1 1 A 118 118 THR CA C 118 58.770 63.119 -4.349 1
1 1089 . 6 1 1 A 118 118 THR CB C 118 67.420 67.638 -0.218 1
1 1091 . 6 1 1 A 118 118 THR N N 118 116.420 116.370 0.050 1
1 1098 . 6 2 2 B 6 6 GLU H H 6 8.780 9.013 -0.233 1
1 1099 . 6 2 2 B 6 6 GLU HA H 6 4.160 4.169 -0.009 1
1 1104 . 6 2 2 B 8 8 ARG H H 8 8.200 7.890 0.310 1
1 1105 . 6 2 2 B 8 8 ARG HA H 8 4.210 4.654 -0.444 1
1 1111 . 6 2 2 B 9 9 VAL H H 9 9.000 8.361 0.639 1
1 1112 . 6 2 2 B 9 9 VAL HA H 9 4.070 4.118 -0.048 1
1 1123 . 6 2 2 B 11 11 SER H H 11 8.490 8.793 -0.303 1
1 1126 . 6 2 2 B 12 12 SER HA H 12 4.410 5.307 -0.897 1
1 1129 . 6 2 2 B 13 13 VAL H H 13 8.800 8.632 0.168 1
1 1130 . 6 2 2 B 13 13 VAL HA H 13 4.010 4.795 -0.785 1
1 1138 . 6 2 2 B 14 14 PHE HA H 14 4.620 5.105 -0.485 1
1 1143 . 6 2 2 B 15 15 ILE H H 15 8.710 8.855 -0.145 1
1 1144 . 6 2 2 B 15 15 ILE HA H 15 4.140 4.636 -0.496 1
1 1154 . 6 2 2 B 16 16 THR HA H 16 4.220 5.210 -0.990 1
1 1159 . 6 2 2 B 17 17 LEU H H 17 8.270 8.723 -0.453 1
1 1160 . 6 2 2 B 17 17 LEU HA H 17 4.130 5.034 -0.904 1
1 1170 . 6 2 2 B 18 18 ALA HA H 18 4.500 4.893 -0.393 1
1 4 . 7 1 1 A 2 2 ILE H H 2 8.800 8.470 0.330 1
1 5 . 7 1 1 A 2 2 ILE N N 2 126.630 121.858 4.772 1
1 6 . 7 1 1 A 3 3 PRO HA H 3 4.360 4.366 -0.006 1
1 13 . 7 1 1 A 3 3 PRO CA C 3 60.670 66.241 -5.571 1
1 14 . 7 1 1 A 3 3 PRO CB C 3 29.390 31.279 -1.889 1
1 17 . 7 1 1 A 4 4 GLU H H 4 8.270 8.180 0.090 1
1 18 . 7 1 1 A 4 4 GLU HA H 4 4.360 4.158 0.202 1
1 23 . 7 1 1 A 4 4 GLU CA C 4 53.690 58.048 -4.358 1
1 24 . 7 1 1 A 4 4 GLU CB C 4 29.430 29.389 0.041 1
1 26 . 7 1 1 A 4 4 GLU N N 4 119.290 118.464 0.826 1
1 27 . 7 1 1 A 5 5 PHE H H 5 8.810 7.998 0.812 1
1 28 . 7 1 1 A 5 5 PHE N N 5 126.600 115.815 10.785 1
1 29 . 7 1 1 A 6 6 PHE H H 6 8.070 8.407 -0.337 1
1 30 . 7 1 1 A 6 6 PHE HA H 6 4.650 4.514 0.136 1
1 33 . 7 1 1 A 6 6 PHE CA C 6 54.920 58.984 -4.064 1
1 34 . 7 1 1 A 6 6 PHE CB C 6 37.190 39.348 -2.158 1
1 35 . 7 1 1 A 6 6 PHE N N 6 120.380 118.846 1.534 1
1 36 . 7 1 1 A 7 7 GLN H H 7 7.980 9.275 -1.295 1
1 37 . 7 1 1 A 7 7 GLN HA H 7 4.430 4.535 -0.105 1
1 42 . 7 1 1 A 7 7 GLN CA C 7 54.860 57.469 -2.609 1
1 43 . 7 1 1 A 7 7 GLN CB C 7 26.570 28.593 -2.023 1
1 45 . 7 1 1 A 7 7 GLN N N 7 119.930 119.426 0.504 1
1 46 . 7 1 1 A 8 8 PHE H H 8 8.030 8.215 -0.185 1
1 47 . 7 1 1 A 8 8 PHE HA H 8 4.630 4.938 -0.308 1
1 50 . 7 1 1 A 8 8 PHE CA C 8 55.020 59.166 -4.146 1
1 51 . 7 1 1 A 8 8 PHE CB C 8 36.840 41.927 -5.087 1
1 52 . 7 1 1 A 8 8 PHE N N 8 119.560 119.495 0.065 1
1 53 . 7 1 1 A 9 9 THR H H 9 8.040 8.194 -0.154 1
1 54 . 7 1 1 A 9 9 THR HA H 9 4.300 4.416 -0.116 1
1 59 . 7 1 1 A 9 9 THR CA C 9 59.410 62.408 -2.998 1
1 60 . 7 1 1 A 9 9 THR CB C 9 67.440 69.019 -1.579 1
1 62 . 7 1 1 A 9 9 THR N N 9 114.650 112.658 1.992 1
1 63 . 7 1 1 A 10 10 VAL H H 10 8.070 7.906 0.164 1
1 64 . 7 1 1 A 10 10 VAL HA H 10 4.210 3.914 0.296 1
1 72 . 7 1 1 A 10 10 VAL CA C 10 59.470 65.859 -6.389 1
1 73 . 7 1 1 A 10 10 VAL CB C 10 30.180 31.728 -1.548 1
1 75 . 7 1 1 A 10 10 VAL N N 10 120.380 122.606 -2.226 1
1 76 . 7 1 1 A 11 11 GLY H H 11 8.200 7.861 0.339 1
1 77 . 7 1 1 A 11 11 GLY HA2 H 11 4.090 4.077 0.013 1
1 78 . 7 1 1 A 11 11 GLY HA3 H 11 4.000 4.098 -0.098 1
1 79 . 7 1 1 A 11 11 GLY CA C 11 41.420 44.010 -2.590 1
1 80 . 7 1 1 A 11 11 GLY N N 11 110.910 109.535 1.375 1
1 81 . 7 1 1 A 12 12 PRO HA H 12 4.360 4.415 -0.055 1
1 88 . 7 1 1 A 12 12 PRO CA C 12 60.590 64.232 -3.642 1
1 89 . 7 1 1 A 12 12 PRO CB C 12 33.600 31.547 2.053 1
1 92 . 7 1 1 A 13 13 LEU H H 13 8.360 7.326 1.034 1
1 93 . 7 1 1 A 13 13 LEU HA H 13 4.340 4.340 0.000 1
1 103 . 7 1 1 A 13 13 LEU CA C 13 52.800 54.067 -1.267 1
1 104 . 7 1 1 A 13 13 LEU CB C 13 39.650 42.826 -3.176 1
1 108 . 7 1 1 A 13 13 LEU N N 13 120.390 114.715 5.675 1
1 109 . 7 1 1 A 14 14 GLY H H 14 8.240 8.050 0.190 1
1 110 . 7 1 1 A 14 14 GLY HA2 H 14 3.960 3.811 0.149 1
1 111 . 7 1 1 A 14 14 GLY HA3 H 14 3.660 3.931 -0.271 1
1 112 . 7 1 1 A 14 14 GLY CA C 14 40.240 45.308 -5.068 1
1 113 . 7 1 1 A 14 14 GLY N N 14 107.860 109.101 -1.241 1
1 114 . 7 1 1 A 15 15 GLU H H 15 8.250 8.810 -0.560 1
1 115 . 7 1 1 A 15 15 GLU HA H 15 4.360 4.027 0.333 1
1 120 . 7 1 1 A 15 15 GLU CA C 15 53.920 57.534 -3.614 1
1 121 . 7 1 1 A 15 15 GLU CB C 15 27.800 28.862 -1.062 1
1 123 . 7 1 1 A 15 15 GLU N N 15 118.800 119.594 -0.794 1
1 124 . 7 1 1 A 16 16 GLY H H 16 8.460 8.406 0.054 1
1 125 . 7 1 1 A 16 16 GLY HA2 H 16 3.960 4.021 -0.061 1
1 126 . 7 1 1 A 16 16 GLY HA3 H 16 3.880 4.027 -0.147 1
1 127 . 7 1 1 A 16 16 GLY CA C 16 42.490 45.317 -2.827 1
1 128 . 7 1 1 A 16 16 GLY N N 16 108.190 106.712 1.478 1
1 129 . 7 1 1 A 17 17 GLY H H 17 8.300 8.828 -0.528 1
1 130 . 7 1 1 A 17 17 GLY HA2 H 17 4.430 3.955 0.475 1
1 131 . 7 1 1 A 17 17 GLY HA3 H 17 3.780 3.990 -0.210 1
1 132 . 7 1 1 A 17 17 GLY CA C 17 42.550 45.998 -3.448 1
1 133 . 7 1 1 A 17 17 GLY N N 17 105.790 111.895 -6.105 1
1 134 . 7 1 1 A 18 18 ALA H H 18 8.800 8.168 0.632 1
1 135 . 7 1 1 A 18 18 ALA HA H 18 3.760 4.171 -0.411 1
1 139 . 7 1 1 A 18 18 ALA CA C 18 52.780 54.408 -1.628 1
1 140 . 7 1 1 A 18 18 ALA CB C 18 16.810 18.520 -1.710 1
1 141 . 7 1 1 A 18 18 ALA N N 18 120.770 123.892 -3.122 1
1 142 . 7 1 1 A 19 19 HIS H H 19 8.230 7.479 0.751 1
1 143 . 7 1 1 A 19 19 HIS HA H 19 4.410 4.258 0.152 1
1 146 . 7 1 1 A 19 19 HIS CA C 19 54.740 59.051 -4.311 1
1 147 . 7 1 1 A 19 19 HIS CB C 19 26.240 30.354 -4.114 1
1 148 . 7 1 1 A 19 19 HIS N N 19 109.490 118.576 -9.086 1
1 149 . 7 1 1 A 20 20 LYS H H 20 7.570 8.045 -0.475 1
1 150 . 7 1 1 A 20 20 LYS HA H 20 4.170 3.813 0.357 1
1 159 . 7 1 1 A 20 20 LYS CA C 20 52.100 58.467 -6.367 1
1 160 . 7 1 1 A 20 20 LYS CB C 20 29.850 31.914 -2.064 1
1 164 . 7 1 1 A 20 20 LYS N N 20 115.920 116.645 -0.725 1
1 165 . 7 1 1 A 21 21 VAL H H 21 7.460 8.323 -0.863 1
1 166 . 7 1 1 A 21 21 VAL HA H 21 4.270 3.563 0.707 1
1 174 . 7 1 1 A 21 21 VAL CA C 21 60.730 62.425 -1.695 1
1 175 . 7 1 1 A 21 21 VAL CB C 21 29.340 31.774 -2.434 1
1 178 . 7 1 1 A 21 21 VAL N N 21 122.030 122.098 -0.068 1
1 179 . 7 1 1 A 22 22 ARG H H 22 7.840 7.664 0.176 1
1 180 . 7 1 1 A 22 22 ARG HA H 22 5.100 4.803 0.297 1
1 187 . 7 1 1 A 22 22 ARG CA C 22 51.230 54.437 -3.207 1
1 188 . 7 1 1 A 22 22 ARG CB C 22 31.930 31.223 0.707 1
1 191 . 7 1 1 A 22 22 ARG N N 22 121.520 128.402 -6.882 1
1 192 . 7 1 1 A 23 23 ALA H H 23 8.920 8.724 0.196 1
1 193 . 7 1 1 A 23 23 ALA HA H 23 5.580 5.292 0.288 1
1 197 . 7 1 1 A 23 23 ALA CA C 23 47.810 51.342 -3.532 1
1 198 . 7 1 1 A 23 23 ALA CB C 23 21.660 21.228 0.432 1
1 199 . 7 1 1 A 23 23 ALA N N 23 123.300 127.144 -3.844 1
1 200 . 7 1 1 A 24 24 GLY H H 24 8.450 8.495 -0.045 1
1 201 . 7 1 1 A 24 24 GLY HA2 H 24 4.200 4.331 -0.131 1
1 202 . 7 1 1 A 24 24 GLY HA3 H 24 4.160 4.365 -0.205 1
1 203 . 7 1 1 A 24 24 GLY CA C 24 43.560 44.995 -1.435 1
1 204 . 7 1 1 A 24 24 GLY N N 24 104.220 109.595 -5.375 1
1 205 . 7 1 1 A 25 25 GLY H H 25 8.770 8.391 0.379 1
1 206 . 7 1 1 A 25 25 GLY HA2 H 25 4.880 4.311 0.569 1
1 207 . 7 1 1 A 25 25 GLY HA3 H 25 4.050 4.397 -0.347 1
1 208 . 7 1 1 A 25 25 GLY CA C 25 42.110 45.995 -3.885 1
1 209 . 7 1 1 A 25 25 GLY N N 25 109.590 109.925 -0.335 1
1 210 . 7 1 1 A 26 26 THR H H 26 8.620 9.036 -0.416 1
1 211 . 7 1 1 A 26 26 THR HA H 26 4.030 4.067 -0.037 1
1 216 . 7 1 1 A 26 26 THR CA C 26 63.280 66.154 -2.874 1
1 217 . 7 1 1 A 26 26 THR CB C 26 65.990 68.677 -2.687 1
1 219 . 7 1 1 A 26 26 THR N N 26 113.050 113.083 -0.033 1
1 220 . 7 1 1 A 27 27 GLY H H 27 9.040 8.258 0.782 1
1 221 . 7 1 1 A 27 27 GLY HA2 H 27 4.270 4.111 0.159 1
1 222 . 7 1 1 A 27 27 GLY HA3 H 27 3.390 4.238 -0.848 1
1 223 . 7 1 1 A 27 27 GLY CA C 27 44.250 46.822 -2.572 1
1 224 . 7 1 1 A 27 27 GLY N N 27 105.190 108.230 -3.040 1
1 225 . 7 1 1 A 28 28 LEU H H 28 7.450 7.975 -0.525 1
1 226 . 7 1 1 A 28 28 LEU HA H 28 4.210 4.220 -0.010 1
1 236 . 7 1 1 A 28 28 LEU CA C 28 51.150 55.645 -4.495 1
1 237 . 7 1 1 A 28 28 LEU CB C 28 37.670 41.846 -4.176 1
1 241 . 7 1 1 A 28 28 LEU N N 28 114.980 121.599 -6.619 1
1 242 . 7 1 1 A 29 29 GLU H H 29 7.980 7.916 0.064 1
1 243 . 7 1 1 A 29 29 GLU HA H 29 4.540 4.302 0.238 1
1 248 . 7 1 1 A 29 29 GLU CA C 29 54.910 58.125 -3.215 1
1 249 . 7 1 1 A 29 29 GLU CB C 29 29.430 30.907 -1.477 1
1 251 . 7 1 1 A 29 29 GLU N N 29 117.810 116.694 1.116 1
1 252 . 7 1 1 A 30 30 ARG H H 30 8.340 7.302 1.038 1
1 253 . 7 1 1 A 30 30 ARG HA H 30 4.720 4.687 0.033 1
1 260 . 7 1 1 A 30 30 ARG CA C 30 53.350 54.980 -1.630 1
1 261 . 7 1 1 A 30 30 ARG CB C 30 29.440 31.957 -2.517 1
1 264 . 7 1 1 A 30 30 ARG N N 30 112.890 114.195 -1.305 1
1 265 . 7 1 1 A 31 31 GLY H H 31 8.100 8.056 0.044 1
1 266 . 7 1 1 A 31 31 GLY HA2 H 31 4.540 4.417 0.123 1
1 267 . 7 1 1 A 31 31 GLY HA3 H 31 3.610 4.431 -0.821 1
1 268 . 7 1 1 A 31 31 GLY CA C 31 41.630 45.488 -3.858 1
1 269 . 7 1 1 A 31 31 GLY N N 31 103.670 106.489 -2.819 1
1 270 . 7 1 1 A 32 32 VAL H H 32 9.410 8.428 0.982 1
1 271 . 7 1 1 A 32 32 VAL HA H 32 4.450 5.077 -0.627 1
1 279 . 7 1 1 A 32 32 VAL CA C 32 58.730 60.088 -1.358 1
1 280 . 7 1 1 A 32 32 VAL CB C 32 32.560 35.743 -3.183 1
1 283 . 7 1 1 A 32 32 VAL N N 32 122.160 120.308 1.852 1
1 284 . 7 1 1 A 33 33 ALA H H 33 8.560 8.537 0.023 1
1 285 . 7 1 1 A 33 33 ALA HA H 33 3.620 3.971 -0.351 1
1 289 . 7 1 1 A 33 33 ALA CA C 33 50.860 54.006 -3.146 1
1 290 . 7 1 1 A 33 33 ALA CB C 33 14.450 18.594 -4.144 1
1 291 . 7 1 1 A 33 33 ALA N N 33 129.490 129.311 0.179 1
1 292 . 7 1 1 A 34 34 GLY H H 34 8.590 8.803 -0.213 1
1 293 . 7 1 1 A 34 34 GLY HA2 H 34 4.320 3.866 0.454 1
1 294 . 7 1 1 A 34 34 GLY HA3 H 34 3.420 3.876 -0.456 1
1 295 . 7 1 1 A 34 34 GLY CA C 34 42.710 46.873 -4.163 1
1 296 . 7 1 1 A 34 34 GLY N N 34 106.900 111.664 -4.764 1
1 297 . 7 1 1 A 35 35 VAL H H 35 7.840 7.151 0.689 1
1 298 . 7 1 1 A 35 35 VAL HA H 35 4.450 4.583 -0.133 1
1 306 . 7 1 1 A 35 35 VAL CA C 35 56.660 58.118 -1.458 1
1 307 . 7 1 1 A 35 35 VAL CB C 35 32.030 34.806 -2.776 1
1 310 . 7 1 1 A 35 35 VAL N N 35 121.520 119.420 2.100 1
1 311 . 7 1 1 A 36 36 PRO HA H 36 4.260 4.469 -0.209 1
1 318 . 7 1 1 A 36 36 PRO CA C 36 60.720 62.672 -1.952 1
1 319 . 7 1 1 A 36 36 PRO CB C 36 28.760 31.865 -3.105 1
1 322 . 7 1 1 A 37 37 ALA H H 37 8.920 8.081 0.839 1
1 323 . 7 1 1 A 37 37 ALA HA H 37 4.490 5.001 -0.511 1
1 327 . 7 1 1 A 37 37 ALA CA C 37 47.550 50.347 -2.797 1
1 328 . 7 1 1 A 37 37 ALA CB C 37 17.110 23.780 -6.670 1
1 329 . 7 1 1 A 37 37 ALA N N 37 129.160 123.761 5.399 1
1 330 . 7 1 1 A 38 38 GLU H H 38 8.470 9.022 -0.552 1
1 331 . 7 1 1 A 38 38 GLU HA H 38 4.330 5.421 -1.091 1
1 336 . 7 1 1 A 38 38 GLU CA C 38 52.150 55.468 -3.318 1
1 337 . 7 1 1 A 38 38 GLU CB C 38 31.010 33.642 -2.632 1
1 339 . 7 1 1 A 38 38 GLU N N 38 117.150 115.924 1.226 1
1 340 . 7 1 1 A 39 39 PHE H H 39 8.870 8.097 0.773 1
1 341 . 7 1 1 A 39 39 PHE HA H 39 4.520 5.521 -1.001 1
1 344 . 7 1 1 A 39 39 PHE CA C 39 54.670 55.600 -0.930 1
1 345 . 7 1 1 A 39 39 PHE CB C 39 37.170 41.750 -4.580 1
1 346 . 7 1 1 A 39 39 PHE N N 39 115.740 118.014 -2.274 1
1 347 . 7 1 1 A 40 40 SER H H 40 8.870 8.634 0.236 1
1 348 . 7 1 1 A 40 40 SER HA H 40 5.420 5.407 0.013 1
1 351 . 7 1 1 A 40 40 SER CA C 40 54.890 57.376 -2.486 1
1 352 . 7 1 1 A 40 40 SER CB C 40 63.790 65.607 -1.817 1
1 353 . 7 1 1 A 40 40 SER N N 40 113.140 115.629 -2.489 1
1 354 . 7 1 1 A 41 41 ILE H H 41 8.410 9.450 -1.040 1
1 355 . 7 1 1 A 41 41 ILE HA H 41 4.670 4.977 -0.307 1
1 365 . 7 1 1 A 41 41 ILE CA C 41 57.640 60.419 -2.779 1
1 366 . 7 1 1 A 41 41 ILE CB C 41 38.260 40.919 -2.659 1
1 370 . 7 1 1 A 41 41 ILE N N 41 118.020 124.456 -6.436 1
1 371 . 7 1 1 A 42 42 TRP H H 42 9.580 8.184 1.396 1
1 372 . 7 1 1 A 42 42 TRP HA H 42 4.870 5.989 -1.119 1
1 375 . 7 1 1 A 42 42 TRP CA C 42 56.240 54.633 1.607 1
1 376 . 7 1 1 A 42 42 TRP CB C 42 27.690 32.748 -5.058 1
1 377 . 7 1 1 A 42 42 TRP N N 42 126.430 126.121 0.309 1
1 378 . 7 1 1 A 43 43 THR H H 43 8.370 8.866 -0.496 1
1 379 . 7 1 1 A 43 43 THR HA H 43 3.800 4.752 -0.952 1
1 384 . 7 1 1 A 43 43 THR CA C 43 59.210 60.466 -1.256 1
1 385 . 7 1 1 A 43 43 THR CB C 43 67.070 71.176 -4.106 1
1 387 . 7 1 1 A 43 43 THR N N 43 112.460 115.499 -3.039 1
1 388 . 7 1 1 A 44 44 ARG HA H 44 3.910 4.776 -0.866 1
1 395 . 7 1 1 A 44 44 ARG CA C 44 57.190 55.711 1.479 1
1 396 . 7 1 1 A 44 44 ARG CB C 44 27.710 30.555 -2.845 1
1 399 . 7 1 1 A 45 45 GLU H H 45 8.260 8.331 -0.071 1
1 400 . 7 1 1 A 45 45 GLU HA H 45 4.160 4.649 -0.489 1
1 405 . 7 1 1 A 45 45 GLU CA C 45 54.510 58.101 -3.591 1
1 406 . 7 1 1 A 45 45 GLU CB C 45 27.510 31.912 -4.402 1
1 408 . 7 1 1 A 45 45 GLU N N 45 113.080 124.617 -11.537 1
1 409 . 7 1 1 A 46 46 ALA H H 46 7.550 8.231 -0.681 1
1 410 . 7 1 1 A 46 46 ALA HA H 46 3.870 4.172 -0.302 1
1 414 . 7 1 1 A 46 46 ALA CA C 46 50.350 54.577 -4.227 1
1 415 . 7 1 1 A 46 46 ALA CB C 46 18.120 19.705 -1.585 1
1 416 . 7 1 1 A 46 46 ALA N N 46 119.560 121.537 -1.977 1
1 417 . 7 1 1 A 47 47 GLY H H 47 7.450 7.500 -0.050 1
1 418 . 7 1 1 A 47 47 GLY HA2 H 47 4.180 4.108 0.072 1
1 419 . 7 1 1 A 47 47 GLY HA3 H 47 3.630 4.123 -0.493 1
1 420 . 7 1 1 A 47 47 GLY CA C 47 41.940 44.226 -2.286 1
1 421 . 7 1 1 A 47 47 GLY N N 47 102.870 102.223 0.647 1
1 422 . 7 1 1 A 48 48 ALA H H 48 8.220 8.307 -0.087 1
1 423 . 7 1 1 A 48 48 ALA HA H 48 4.290 4.498 -0.208 1
1 427 . 7 1 1 A 48 48 ALA CA C 48 49.360 52.831 -3.471 1
1 428 . 7 1 1 A 48 48 ALA CB C 48 16.590 19.709 -3.119 1
1 429 . 7 1 1 A 48 48 ALA N N 48 120.390 123.284 -2.894 1
1 430 . 7 1 1 A 49 49 GLY H H 49 8.000 8.469 -0.469 1
1 431 . 7 1 1 A 49 49 GLY HA2 H 49 3.720 3.615 0.105 1
1 432 . 7 1 1 A 49 49 GLY HA3 H 49 3.720 4.097 -0.377 1
1 433 . 7 1 1 A 49 49 GLY CA C 49 43.000 45.785 -2.785 1
1 434 . 7 1 1 A 49 49 GLY N N 49 106.720 106.890 -0.170 1
1 435 . 7 1 1 A 50 50 GLY H H 50 7.580 7.728 -0.148 1
1 436 . 7 1 1 A 50 50 GLY N N 50 104.780 109.300 -4.520 1
1 437 . 7 1 1 A 51 51 LEU HA H 51 5.300 5.331 -0.031 1
1 444 . 7 1 1 A 51 51 LEU CA C 51 50.270 53.772 -3.502 1
1 445 . 7 1 1 A 51 51 LEU CB C 51 42.930 44.359 -1.429 1
1 448 . 7 1 1 A 52 52 SER H H 52 9.110 8.550 0.560 1
1 449 . 7 1 1 A 52 52 SER HA H 52 5.180 5.063 0.117 1
1 452 . 7 1 1 A 52 52 SER CA C 52 53.700 57.983 -4.283 1
1 453 . 7 1 1 A 52 52 SER CB C 52 63.000 64.070 -1.070 1
1 454 . 7 1 1 A 52 52 SER N N 52 117.210 123.526 -6.316 1
1 455 . 7 1 1 A 53 53 ILE H H 53 8.330 8.784 -0.454 1
1 456 . 7 1 1 A 53 53 ILE HA H 53 4.930 5.009 -0.079 1
1 466 . 7 1 1 A 53 53 ILE CA C 53 57.220 60.270 -3.050 1
1 467 . 7 1 1 A 53 53 ILE CB C 53 37.710 41.275 -3.565 1
1 471 . 7 1 1 A 53 53 ILE N N 53 124.030 125.217 -1.187 1
1 472 . 7 1 1 A 54 54 ALA H H 54 8.920 8.665 0.255 1
1 473 . 7 1 1 A 54 54 ALA HA H 54 5.390 5.044 0.346 1
1 477 . 7 1 1 A 54 54 ALA CA C 54 47.440 50.192 -2.752 1
1 478 . 7 1 1 A 54 54 ALA CB C 54 19.810 20.493 -0.683 1
1 479 . 7 1 1 A 54 54 ALA N N 54 126.530 130.161 -3.631 1
1 480 . 7 1 1 A 55 55 VAL H H 55 9.010 8.665 0.345 1
1 481 . 7 1 1 A 55 55 VAL HA H 55 4.830 5.137 -0.307 1
1 489 . 7 1 1 A 55 55 VAL CA C 55 58.430 59.857 -1.427 1
1 490 . 7 1 1 A 55 55 VAL CB C 55 31.020 33.624 -2.604 1
1 493 . 7 1 1 A 55 55 VAL N N 55 119.590 119.013 0.577 1
1 494 . 7 1 1 A 56 56 GLU H H 56 9.270 8.901 0.369 1
1 495 . 7 1 1 A 56 56 GLU HA H 56 4.690 5.243 -0.553 1
1 500 . 7 1 1 A 56 56 GLU CA C 56 52.000 55.195 -3.195 1
1 501 . 7 1 1 A 56 56 GLU CB C 56 31.050 33.757 -2.707 1
1 503 . 7 1 1 A 56 56 GLU N N 56 127.360 124.231 3.129 1
1 504 . 7 1 1 A 57 57 GLY H H 57 8.620 8.279 0.341 1
1 505 . 7 1 1 A 57 57 GLY N N 57 108.540 111.782 -3.242 1
1 506 . 7 1 1 A 58 58 PRO HA H 58 4.480 4.343 0.137 1
1 513 . 7 1 1 A 58 58 PRO CA C 58 61.850 64.476 -2.626 1
1 514 . 7 1 1 A 58 58 PRO CB C 58 29.820 32.168 -2.348 1
1 517 . 7 1 1 A 59 59 SER H H 59 7.200 7.590 -0.390 1
1 518 . 7 1 1 A 59 59 SER HA H 59 4.620 5.081 -0.461 1
1 521 . 7 1 1 A 59 59 SER CA C 59 55.050 57.869 -2.819 1
1 522 . 7 1 1 A 59 59 SER CB C 59 63.650 67.228 -3.578 1
1 523 . 7 1 1 A 59 59 SER N N 59 106.970 114.022 -7.052 1
1 524 . 7 1 1 A 60 60 LYS H H 60 8.570 8.298 0.272 1
1 525 . 7 1 1 A 60 60 LYS HA H 60 4.000 4.430 -0.430 1
1 534 . 7 1 1 A 60 60 LYS CA C 60 54.090 56.233 -2.143 1
1 535 . 7 1 1 A 60 60 LYS CB C 60 30.480 32.331 -1.851 1
1 539 . 7 1 1 A 60 60 LYS N N 60 118.890 123.633 -4.743 1
1 540 . 7 1 1 A 61 61 ALA H H 61 8.830 8.579 0.251 1
1 541 . 7 1 1 A 61 61 ALA HA H 61 4.930 4.693 0.237 1
1 545 . 7 1 1 A 61 61 ALA CA C 61 47.980 52.328 -4.348 1
1 546 . 7 1 1 A 61 61 ALA CB C 61 17.500 19.288 -1.788 1
1 547 . 7 1 1 A 61 61 ALA N N 61 127.130 127.641 -0.511 1
1 548 . 7 1 1 A 62 62 GLU H H 62 8.440 8.240 0.200 1
1 549 . 7 1 1 A 62 62 GLU HA H 62 4.610 4.523 0.087 1
1 554 . 7 1 1 A 62 62 GLU CA C 62 52.800 56.970 -4.170 1
1 555 . 7 1 1 A 62 62 GLU CB C 62 27.620 30.975 -3.355 1
1 557 . 7 1 1 A 62 62 GLU N N 62 121.980 121.134 0.846 1
1 558 . 7 1 1 A 63 63 ILE H H 63 8.710 8.518 0.192 1
1 559 . 7 1 1 A 63 63 ILE HA H 63 4.710 5.203 -0.493 1
1 569 . 7 1 1 A 63 63 ILE CA C 63 58.480 59.949 -1.469 1
1 570 . 7 1 1 A 63 63 ILE CB C 63 37.820 42.340 -4.520 1
1 574 . 7 1 1 A 63 63 ILE N N 63 125.400 120.519 4.881 1
1 575 . 7 1 1 A 64 64 ALA H H 64 9.350 8.728 0.622 1
1 576 . 7 1 1 A 64 64 ALA HA H 64 5.400 5.016 0.384 1
1 580 . 7 1 1 A 64 64 ALA CA C 64 47.440 51.629 -4.189 1
1 581 . 7 1 1 A 64 64 ALA CB C 64 19.750 21.376 -1.626 1
1 582 . 7 1 1 A 64 64 ALA N N 64 130.180 125.930 4.250 1
1 583 . 7 1 1 A 65 65 PHE H H 65 8.120 8.754 -0.634 1
1 584 . 7 1 1 A 65 65 PHE HA H 65 5.410 5.218 0.192 1
1 587 . 7 1 1 A 65 65 PHE CA C 65 53.210 55.883 -2.673 1
1 588 . 7 1 1 A 65 65 PHE CB C 65 40.490 40.196 0.294 1
1 589 . 7 1 1 A 65 65 PHE N N 65 115.800 121.265 -5.465 1
1 590 . 7 1 1 A 66 66 GLU H H 66 8.360 9.287 -0.927 1
1 591 . 7 1 1 A 66 66 GLU HA H 66 4.700 4.732 -0.032 1
1 596 . 7 1 1 A 66 66 GLU CA C 66 52.100 54.980 -2.880 1
1 597 . 7 1 1 A 66 66 GLU CB C 66 30.280 33.333 -3.053 1
1 599 . 7 1 1 A 66 66 GLU N N 66 120.390 122.003 -1.613 1
1 600 . 7 1 1 A 67 67 ASP H H 67 8.880 8.888 -0.008 1
1 601 . 7 1 1 A 67 67 ASP HA H 67 5.120 4.819 0.301 1
1 604 . 7 1 1 A 67 67 ASP CA C 67 51.070 54.159 -3.089 1
1 605 . 7 1 1 A 67 67 ASP CB C 67 38.310 40.964 -2.654 1
1 606 . 7 1 1 A 67 67 ASP N N 67 124.860 126.395 -1.535 1
1 607 . 7 1 1 A 68 68 ARG H H 68 8.330 8.657 -0.327 1
1 608 . 7 1 1 A 68 68 ARG HA H 68 4.170 4.334 -0.164 1
1 613 . 7 1 1 A 68 68 ARG CA C 68 54.170 57.330 -3.160 1
1 614 . 7 1 1 A 68 68 ARG CB C 68 27.740 31.041 -3.301 1
1 615 . 7 1 1 A 68 68 ARG N N 68 125.010 123.717 1.293 1
1 616 . 7 1 1 A 69 69 LYS H H 69 7.980 7.352 0.628 1
1 617 . 7 1 1 A 69 69 LYS HA H 69 4.030 4.481 -0.451 1
1 626 . 7 1 1 A 69 69 LYS CA C 69 55.530 55.087 0.443 1
1 627 . 7 1 1 A 69 69 LYS CB C 69 26.220 32.788 -6.568 1
1 631 . 7 1 1 A 69 69 LYS N N 69 118.110 116.258 1.852 1
1 632 . 7 1 1 A 70 70 ASP H H 70 7.930 8.234 -0.304 1
1 633 . 7 1 1 A 70 70 ASP HA H 70 4.330 4.520 -0.190 1
1 636 . 7 1 1 A 70 70 ASP CA C 70 52.540 55.747 -3.207 1
1 637 . 7 1 1 A 70 70 ASP CB C 70 40.020 40.565 -0.545 1
1 638 . 7 1 1 A 70 70 ASP N N 70 116.380 117.646 -1.266 1
1 639 . 7 1 1 A 71 71 GLY H H 71 9.080 8.506 0.574 1
1 640 . 7 1 1 A 71 71 GLY HA2 H 71 4.200 3.996 0.204 1
1 641 . 7 1 1 A 71 71 GLY HA3 H 71 3.630 4.019 -0.389 1
1 642 . 7 1 1 A 71 71 GLY CA C 71 42.480 45.556 -3.076 1
1 643 . 7 1 1 A 71 71 GLY N N 71 108.240 107.056 1.184 1
1 644 . 7 1 1 A 72 72 SER H H 72 8.400 7.823 0.577 1
1 645 . 7 1 1 A 72 72 SER HA H 72 5.470 4.718 0.752 1
1 648 . 7 1 1 A 72 72 SER CA C 72 54.440 57.116 -2.676 1
1 649 . 7 1 1 A 72 72 SER CB C 72 65.130 64.398 0.732 1
1 650 . 7 1 1 A 72 72 SER N N 72 116.980 113.345 3.635 1
1 651 . 7 1 1 A 73 73 CYS H H 73 8.810 9.772 -0.962 1
1 652 . 7 1 1 A 73 73 CYS HA H 73 5.210 4.880 0.330 1
1 655 . 7 1 1 A 73 73 CYS CA C 73 53.240 57.838 -4.598 1
1 656 . 7 1 1 A 73 73 CYS CB C 73 28.520 28.383 0.137 1
1 657 . 7 1 1 A 73 73 CYS N N 73 114.140 124.703 -10.563 1
1 658 . 7 1 1 A 74 74 GLY H H 74 8.880 9.056 -0.176 1
1 659 . 7 1 1 A 74 74 GLY HA2 H 74 4.540 4.089 0.451 1
1 660 . 7 1 1 A 74 74 GLY HA3 H 74 3.610 4.117 -0.507 1
1 661 . 7 1 1 A 74 74 GLY CA C 74 41.630 44.688 -3.058 1
1 662 . 7 1 1 A 74 74 GLY N N 74 110.010 114.306 -4.296 1
1 663 . 7 1 1 A 75 75 VAL H H 75 8.480 8.764 -0.284 1
1 664 . 7 1 1 A 75 75 VAL HA H 75 4.550 4.760 -0.210 1
1 672 . 7 1 1 A 75 75 VAL CA C 75 57.860 60.827 -2.967 1
1 673 . 7 1 1 A 75 75 VAL CB C 75 30.530 32.189 -1.659 1
1 676 . 7 1 1 A 75 75 VAL N N 75 122.510 126.687 -4.177 1
1 677 . 7 1 1 A 76 76 SER H H 76 8.700 9.296 -0.596 1
1 678 . 7 1 1 A 76 76 SER HA H 76 5.540 5.258 0.282 1
1 681 . 7 1 1 A 76 76 SER CA C 76 53.360 57.465 -4.105 1
1 682 . 7 1 1 A 76 76 SER CB C 76 63.190 64.714 -1.524 1
1 683 . 7 1 1 A 76 76 SER N N 76 118.910 123.446 -4.536 1
1 684 . 7 1 1 A 77 77 TYR H H 77 8.960 9.091 -0.131 1
1 685 . 7 1 1 A 77 77 TYR HA H 77 4.420 5.935 -1.515 1
1 688 . 7 1 1 A 77 77 TYR CA C 77 52.780 55.801 -3.021 1
1 689 . 7 1 1 A 77 77 TYR CB C 77 39.950 42.188 -2.238 1
1 690 . 7 1 1 A 77 77 TYR N N 77 118.060 118.333 -0.273 1
1 691 . 7 1 1 A 78 78 VAL H H 78 8.160 8.360 -0.200 1
1 692 . 7 1 1 A 78 78 VAL HA H 78 4.320 4.474 -0.154 1
1 700 . 7 1 1 A 78 78 VAL CA C 78 57.510 60.013 -2.503 1
1 701 . 7 1 1 A 78 78 VAL CB C 78 32.620 34.925 -2.305 1
1 704 . 7 1 1 A 78 78 VAL N N 78 116.800 120.940 -4.140 1
1 705 . 7 1 1 A 79 79 VAL H H 79 8.730 8.522 0.208 1
1 706 . 7 1 1 A 79 79 VAL HA H 79 4.760 4.374 0.386 1
1 714 . 7 1 1 A 79 79 VAL CA C 79 55.750 60.832 -5.082 1
1 715 . 7 1 1 A 79 79 VAL CB C 79 30.530 33.274 -2.744 1
1 718 . 7 1 1 A 79 79 VAL N N 79 119.730 125.153 -5.423 1
1 719 . 7 1 1 A 80 80 GLN H H 80 8.030 9.194 -1.164 1
1 720 . 7 1 1 A 80 80 GLN HA H 80 4.240 4.411 -0.171 1
1 725 . 7 1 1 A 80 80 GLN CA C 80 53.910 57.099 -3.189 1
1 726 . 7 1 1 A 80 80 GLN CB C 80 27.130 30.494 -3.364 1
1 728 . 7 1 1 A 80 80 GLN N N 80 116.150 122.756 -6.606 1
1 729 . 7 1 1 A 81 81 GLU H H 81 7.070 8.084 -1.014 1
1 730 . 7 1 1 A 81 81 GLU HA H 81 5.010 4.806 0.204 1
1 735 . 7 1 1 A 81 81 GLU CA C 81 49.600 53.254 -3.654 1
1 736 . 7 1 1 A 81 81 GLU CB C 81 29.410 32.338 -2.928 1
1 738 . 7 1 1 A 81 81 GLU N N 81 113.990 116.413 -2.423 1
1 739 . 7 1 1 A 82 82 PRO HA H 82 5.040 4.372 0.668 1
1 746 . 7 1 1 A 82 82 PRO CA C 82 59.910 63.738 -3.828 1
1 747 . 7 1 1 A 82 82 PRO CB C 82 29.280 32.400 -3.120 1
1 750 . 7 1 1 A 83 83 GLY H H 83 8.840 7.830 1.010 1
1 751 . 7 1 1 A 83 83 GLY CA C 83 41.780 44.692 -2.912 1
1 752 . 7 1 1 A 83 83 GLY N N 83 104.910 107.978 -3.068 1
1 753 . 7 1 1 A 84 84 ASP H H 84 8.250 8.317 -0.067 1
1 754 . 7 1 1 A 84 84 ASP HA H 84 5.260 5.237 0.023 1
1 757 . 7 1 1 A 84 84 ASP CA C 84 51.540 53.187 -1.647 1
1 758 . 7 1 1 A 84 84 ASP CB C 84 38.700 41.107 -2.407 1
1 759 . 7 1 1 A 84 84 ASP N N 84 118.800 120.720 -1.920 1
1 760 . 7 1 1 A 85 85 TYR H H 85 8.810 8.633 0.177 1
1 761 . 7 1 1 A 85 85 TYR HA H 85 3.970 5.014 -1.044 1
1 764 . 7 1 1 A 85 85 TYR CA C 85 53.930 58.828 -4.898 1
1 765 . 7 1 1 A 85 85 TYR CB C 85 37.760 39.578 -1.818 1
1 766 . 7 1 1 A 85 85 TYR N N 85 121.630 124.859 -3.229 1
1 767 . 7 1 1 A 86 86 GLU H H 86 9.320 9.112 0.208 1
1 768 . 7 1 1 A 86 86 GLU HA H 86 5.260 5.221 0.039 1
1 773 . 7 1 1 A 86 86 GLU CA C 86 52.350 54.628 -2.278 1
1 774 . 7 1 1 A 86 86 GLU CB C 86 30.070 32.423 -2.353 1
1 776 . 7 1 1 A 86 86 GLU N N 86 120.420 123.326 -2.906 1
1 777 . 7 1 1 A 87 87 VAL H H 87 9.810 8.296 1.514 1
1 778 . 7 1 1 A 87 87 VAL HA H 87 4.990 5.005 -0.015 1
1 786 . 7 1 1 A 87 87 VAL CA C 87 58.590 59.023 -0.433 1
1 787 . 7 1 1 A 87 87 VAL CB C 87 30.210 34.708 -4.498 1
1 790 . 7 1 1 A 87 87 VAL N N 87 129.200 123.377 5.823 1
1 791 . 7 1 1 A 88 88 SER H H 88 9.560 8.559 1.001 1
1 792 . 7 1 1 A 88 88 SER HA H 88 5.170 5.277 -0.107 1
1 795 . 7 1 1 A 88 88 SER CA C 88 55.170 56.710 -1.540 1
1 796 . 7 1 1 A 88 88 SER CB C 88 62.790 64.763 -1.973 1
1 797 . 7 1 1 A 88 88 SER N N 88 121.730 122.903 -1.173 1
1 798 . 7 1 1 A 89 89 ILE H H 89 9.570 8.941 0.629 1
1 799 . 7 1 1 A 89 89 ILE HA H 89 4.920 5.415 -0.495 1
1 809 . 7 1 1 A 89 89 ILE CA C 89 57.020 58.901 -1.881 1
1 810 . 7 1 1 A 89 89 ILE CB C 89 38.120 40.456 -2.336 1
1 814 . 7 1 1 A 89 89 ILE N N 89 125.650 122.165 3.485 1
1 815 . 7 1 1 A 90 90 LYS H H 90 8.760 8.587 0.173 1
1 816 . 7 1 1 A 90 90 LYS HA H 90 5.130 5.353 -0.223 1
1 825 . 7 1 1 A 90 90 LYS CA C 90 50.980 54.770 -3.790 1
1 826 . 7 1 1 A 90 90 LYS CB C 90 33.850 35.684 -1.834 1
1 830 . 7 1 1 A 90 90 LYS N N 90 122.170 124.148 -1.978 1
1 831 . 7 1 1 A 91 91 PHE H H 91 9.040 8.388 0.652 1
1 832 . 7 1 1 A 91 91 PHE HA H 91 5.330 4.675 0.655 1
1 835 . 7 1 1 A 91 91 PHE CA C 91 53.190 57.696 -4.506 1
1 836 . 7 1 1 A 91 91 PHE CB C 91 40.200 39.588 0.612 1
1 837 . 7 1 1 A 91 91 PHE N N 91 120.990 125.475 -4.485 1
1 838 . 7 1 1 A 92 92 ASN H H 92 9.210 10.236 -1.026 1
1 839 . 7 1 1 A 92 92 ASN HA H 92 4.220 4.167 0.053 1
1 842 . 7 1 1 A 92 92 ASN CA C 92 51.480 53.880 -2.400 1
1 843 . 7 1 1 A 92 92 ASN CB C 92 33.610 36.941 -3.331 1
1 844 . 7 1 1 A 92 92 ASN N N 92 127.010 125.262 1.748 1
1 845 . 7 1 1 A 93 93 ASP H H 93 8.760 8.461 0.299 1
1 846 . 7 1 1 A 93 93 ASP HA H 93 3.970 4.167 -0.197 1
1 849 . 7 1 1 A 93 93 ASP CA C 93 53.920 55.978 -2.058 1
1 850 . 7 1 1 A 93 93 ASP CB C 93 38.060 39.172 -1.112 1
1 851 . 7 1 1 A 93 93 ASP N N 93 107.220 110.892 -3.672 1
1 852 . 7 1 1 A 94 94 GLU H H 94 7.500 7.977 -0.477 1
1 853 . 7 1 1 A 94 94 GLU HA H 94 4.700 4.528 0.172 1
1 857 . 7 1 1 A 94 94 GLU CA C 94 51.940 55.324 -3.384 1
1 858 . 7 1 1 A 94 94 GLU CB C 94 29.680 30.098 -0.418 1
1 860 . 7 1 1 A 94 94 GLU N N 94 117.830 117.495 0.335 1
1 861 . 7 1 1 A 95 95 HIS H H 95 8.770 8.256 0.514 1
1 862 . 7 1 1 A 95 95 HIS HA H 95 4.480 4.671 -0.191 1
1 865 . 7 1 1 A 95 95 HIS CA C 95 56.530 55.761 0.769 1
1 866 . 7 1 1 A 95 95 HIS CB C 95 29.690 29.770 -0.080 1
1 867 . 7 1 1 A 95 95 HIS N N 95 121.910 121.330 0.580 1
1 868 . 7 1 1 A 96 96 ILE H H 96 8.110 8.062 0.048 1
1 869 . 7 1 1 A 96 96 ILE HA H 96 4.310 4.069 0.241 1
1 871 . 7 1 1 A 96 96 ILE CA C 96 57.520 60.716 -3.196 1
1 872 . 7 1 1 A 96 96 ILE CB C 96 32.720 37.751 -5.031 1
1 873 . 7 1 1 A 96 96 ILE N N 96 116.370 124.852 -8.482 1
1 874 . 7 1 1 A 97 97 PRO CA C 97 63.500 65.185 -1.685 1
1 875 . 7 1 1 A 97 97 PRO CB C 97 28.690 31.789 -3.099 1
1 878 . 7 1 1 A 98 98 ASP H H 98 7.940 8.599 -0.659 1
1 879 . 7 1 1 A 98 98 ASP HA H 98 5.010 4.384 0.626 1
1 882 . 7 1 1 A 98 98 ASP CA C 98 54.510 57.446 -2.936 1
1 883 . 7 1 1 A 98 98 ASP CB C 98 37.760 40.763 -3.003 1
1 884 . 7 1 1 A 98 98 ASP N N 98 113.440 118.540 -5.100 1
1 885 . 7 1 1 A 99 99 SER H H 99 7.470 7.816 -0.346 1
1 886 . 7 1 1 A 99 99 SER HA H 99 4.230 4.730 -0.500 1
1 889 . 7 1 1 A 99 99 SER CA C 99 52.370 56.948 -4.578 1
1 890 . 7 1 1 A 99 99 SER CB C 99 60.430 63.108 -2.678 1
1 891 . 7 1 1 A 99 99 SER N N 99 110.680 112.231 -1.551 1
1 892 . 7 1 1 A 100 100 PRO HA H 100 4.550 5.035 -0.485 1
1 899 . 7 1 1 A 100 100 PRO CA C 100 59.920 62.423 -2.503 1
1 900 . 7 1 1 A 100 100 PRO CB C 100 31.880 31.769 0.111 1
1 903 . 7 1 1 A 101 101 PHE H H 101 9.270 7.825 1.445 1
1 904 . 7 1 1 A 101 101 PHE HA H 101 4.560 5.307 -0.747 1
1 907 . 7 1 1 A 101 101 PHE CA C 101 54.060 54.950 -0.890 1
1 908 . 7 1 1 A 101 101 PHE CB C 101 37.930 42.107 -4.177 1
1 909 . 7 1 1 A 101 101 PHE N N 101 119.180 118.567 0.613 1
1 910 . 7 1 1 A 102 102 VAL H H 102 8.760 8.719 0.041 1
1 911 . 7 1 1 A 102 102 VAL HA H 102 4.580 4.922 -0.342 1
1 919 . 7 1 1 A 102 102 VAL CA C 102 60.400 60.640 -0.240 1
1 920 . 7 1 1 A 102 102 VAL CB C 102 28.970 33.487 -4.517 1
1 923 . 7 1 1 A 102 102 VAL N N 102 123.120 121.096 2.024 1
1 924 . 7 1 1 A 103 103 VAL H H 103 9.520 9.950 -0.430 1
1 925 . 7 1 1 A 103 103 VAL HA H 103 4.390 4.803 -0.413 1
1 933 . 7 1 1 A 103 103 VAL CA C 103 57.200 59.358 -2.158 1
1 934 . 7 1 1 A 103 103 VAL CB C 103 32.060 33.424 -1.364 1
1 937 . 7 1 1 A 103 103 VAL N N 103 130.330 128.575 1.755 1
1 938 . 7 1 1 A 104 104 PRO HA H 104 4.370 4.732 -0.362 1
1 941 . 7 1 1 A 104 104 PRO CA C 104 60.240 62.795 -2.555 1
1 942 . 7 1 1 A 104 104 PRO CB C 104 29.660 31.767 -2.107 1
1 945 . 7 1 1 A 105 105 VAL H H 105 9.300 8.321 0.979 1
1 946 . 7 1 1 A 105 105 VAL HA H 105 4.300 4.766 -0.466 1
1 954 . 7 1 1 A 105 105 VAL CA C 105 59.210 61.746 -2.536 1
1 955 . 7 1 1 A 105 105 VAL CB C 105 28.840 33.126 -4.286 1
1 958 . 7 1 1 A 105 105 VAL N N 105 126.320 124.431 1.889 1
1 959 . 7 1 1 A 106 106 ALA H H 106 8.360 9.152 -0.792 1
1 960 . 7 1 1 A 106 106 ALA HA H 106 4.660 5.224 -0.564 1
1 964 . 7 1 1 A 106 106 ALA CA C 106 48.340 50.583 -2.243 1
1 965 . 7 1 1 A 106 106 ALA CB C 106 18.960 22.900 -3.940 1
1 966 . 7 1 1 A 106 106 ALA N N 106 130.550 128.683 1.867 1
1 967 . 7 1 1 A 107 107 SER H H 107 8.590 8.427 0.163 1
1 968 . 7 1 1 A 107 107 SER HA H 107 4.490 4.698 -0.208 1
1 971 . 7 1 1 A 107 107 SER CA C 107 55.570 57.391 -1.821 1
1 972 . 7 1 1 A 107 107 SER CB C 107 61.760 62.650 -0.890 1
1 973 . 7 1 1 A 107 107 SER N N 107 112.340 117.998 -5.658 1
1 974 . 7 1 1 A 108 108 LEU H H 108 8.660 8.191 0.469 1
1 975 . 7 1 1 A 108 108 LEU HA H 108 4.300 4.189 0.111 1
1 985 . 7 1 1 A 108 108 LEU CA C 108 53.250 56.288 -3.038 1
1 986 . 7 1 1 A 108 108 LEU CB C 108 39.650 42.010 -2.360 1
1 990 . 7 1 1 A 108 108 LEU N N 108 123.200 120.992 2.208 1
1 991 . 7 1 1 A 109 109 SER H H 109 8.210 8.302 -0.092 1
1 992 . 7 1 1 A 109 109 SER HA H 109 4.370 4.370 0.000 1
1 995 . 7 1 1 A 109 109 SER CA C 109 55.810 60.788 -4.978 1
1 996 . 7 1 1 A 109 109 SER CB C 109 61.240 63.681 -2.441 1
1 997 . 7 1 1 A 109 109 SER N N 109 114.710 116.023 -1.313 1
1 998 . 7 1 1 A 110 110 ASP H H 110 8.240 8.022 0.218 1
1 999 . 7 1 1 A 110 110 ASP HA H 110 4.500 4.376 0.124 1
1 1002 . 7 1 1 A 110 110 ASP CA C 110 52.740 55.681 -2.941 1
1 1003 . 7 1 1 A 110 110 ASP CB C 110 38.260 39.502 -1.242 1
1 1004 . 7 1 1 A 110 110 ASP N N 110 121.030 119.032 1.998 1
1 1005 . 7 1 1 A 111 111 ASP H H 111 8.210 8.405 -0.195 1
1 1006 . 7 1 1 A 111 111 ASP HA H 111 4.500 4.787 -0.287 1
1 1009 . 7 1 1 A 111 111 ASP CA C 111 52.770 54.180 -1.410 1
1 1010 . 7 1 1 A 111 111 ASP CB C 111 38.290 43.394 -5.104 1
1 1011 . 7 1 1 A 111 111 ASP N N 111 118.910 117.325 1.585 1
1 1012 . 7 1 1 A 112 112 ALA H H 112 8.050 8.532 -0.482 1
1 1013 . 7 1 1 A 112 112 ALA HA H 112 4.170 3.957 0.213 1
1 1017 . 7 1 1 A 112 112 ALA CA C 112 50.710 52.918 -2.208 1
1 1018 . 7 1 1 A 112 112 ALA CB C 112 16.110 17.497 -1.387 1
1 1019 . 7 1 1 A 112 112 ALA N N 112 121.600 121.512 0.088 1
1 1020 . 7 1 1 A 113 113 ARG H H 113 7.960 7.652 0.308 1
1 1021 . 7 1 1 A 113 113 ARG HA H 113 4.030 4.447 -0.417 1
1 1027 . 7 1 1 A 113 113 ARG CA C 113 55.200 55.638 -0.438 1
1 1028 . 7 1 1 A 113 113 ARG CB C 113 27.730 31.729 -3.999 1
1 1031 . 7 1 1 A 113 113 ARG N N 113 116.640 118.407 -1.767 1
1 1032 . 7 1 1 A 114 114 ARG H H 114 7.930 8.637 -0.707 1
1 1033 . 7 1 1 A 114 114 ARG HA H 114 4.000 4.617 -0.617 1
1 1040 . 7 1 1 A 114 114 ARG CA C 114 53.940 55.629 -1.689 1
1 1041 . 7 1 1 A 114 114 ARG CB C 114 30.550 32.257 -1.707 1
1 1044 . 7 1 1 A 114 114 ARG N N 114 116.380 121.625 -5.245 1
1 1045 . 7 1 1 A 115 115 LEU H H 115 8.000 7.912 0.088 1
1 1046 . 7 1 1 A 115 115 LEU HA H 115 4.320 4.398 -0.078 1
1 1056 . 7 1 1 A 115 115 LEU CA C 115 52.870 55.791 -2.921 1
1 1057 . 7 1 1 A 115 115 LEU CB C 115 39.640 43.990 -4.350 1
1 1061 . 7 1 1 A 115 115 LEU N N 115 120.260 119.260 1.000 1
1 1062 . 7 1 1 A 116 116 THR H H 116 7.970 7.874 0.096 1
1 1063 . 7 1 1 A 116 116 THR HA H 116 4.390 4.351 0.039 1
1 1068 . 7 1 1 A 116 116 THR CA C 116 59.270 64.432 -5.162 1
1 1069 . 7 1 1 A 116 116 THR CB C 116 67.420 69.306 -1.886 1
1 1071 . 7 1 1 A 116 116 THR N N 116 113.250 112.363 0.887 1
1 1072 . 7 1 1 A 117 117 VAL H H 117 8.070 8.105 -0.035 1
1 1073 . 7 1 1 A 117 117 VAL HA H 117 4.330 4.054 0.276 1
1 1078 . 7 1 1 A 117 117 VAL CA C 117 60.230 64.592 -4.362 1
1 1079 . 7 1 1 A 117 117 VAL CB C 117 30.360 31.791 -1.431 1
1 1081 . 7 1 1 A 117 117 VAL N N 117 120.990 119.220 1.770 1
1 1082 . 7 1 1 A 118 118 THR H H 118 8.210 8.017 0.193 1
1 1083 . 7 1 1 A 118 118 THR HA H 118 4.380 3.967 0.413 1
1 1088 . 7 1 1 A 118 118 THR CA C 118 58.770 63.074 -4.304 1
1 1089 . 7 1 1 A 118 118 THR CB C 118 67.420 67.556 -0.136 1
1 1091 . 7 1 1 A 118 118 THR N N 118 116.420 116.040 0.380 1
1 1098 . 7 2 2 B 6 6 GLU H H 6 8.780 8.858 -0.078 1
1 1099 . 7 2 2 B 6 6 GLU HA H 6 4.160 4.590 -0.430 1
1 1104 . 7 2 2 B 8 8 ARG H H 8 8.200 8.516 -0.316 1
1 1105 . 7 2 2 B 8 8 ARG HA H 8 4.210 4.647 -0.437 1
1 1111 . 7 2 2 B 9 9 VAL H H 9 9.000 8.323 0.677 1
1 1112 . 7 2 2 B 9 9 VAL HA H 9 4.070 4.129 -0.059 1
1 1123 . 7 2 2 B 11 11 SER H H 11 8.490 8.762 -0.272 1
1 1126 . 7 2 2 B 12 12 SER HA H 12 4.410 5.474 -1.064 1
1 1129 . 7 2 2 B 13 13 VAL H H 13 8.800 8.644 0.156 1
1 1130 . 7 2 2 B 13 13 VAL HA H 13 4.010 4.777 -0.767 1
1 1138 . 7 2 2 B 14 14 PHE HA H 14 4.620 5.105 -0.485 1
1 1143 . 7 2 2 B 15 15 ILE H H 15 8.710 8.817 -0.107 1
1 1144 . 7 2 2 B 15 15 ILE HA H 15 4.140 4.608 -0.468 1
1 1154 . 7 2 2 B 16 16 THR HA H 16 4.220 5.042 -0.822 1
1 1159 . 7 2 2 B 17 17 LEU H H 17 8.270 8.747 -0.477 1
1 1160 . 7 2 2 B 17 17 LEU HA H 17 4.130 5.085 -0.955 1
1 1170 . 7 2 2 B 18 18 ALA HA H 18 4.500 4.863 -0.363 1
1 4 . 8 1 1 A 2 2 ILE H H 2 8.800 8.596 0.204 1
1 5 . 8 1 1 A 2 2 ILE N N 2 126.630 121.639 4.991 1
1 6 . 8 1 1 A 3 3 PRO HA H 3 4.360 4.326 0.034 1
1 13 . 8 1 1 A 3 3 PRO CA C 3 60.670 66.316 -5.646 1
1 14 . 8 1 1 A 3 3 PRO CB C 3 29.390 31.276 -1.886 1
1 17 . 8 1 1 A 4 4 GLU H H 4 8.270 8.119 0.151 1
1 18 . 8 1 1 A 4 4 GLU HA H 4 4.360 4.178 0.182 1
1 23 . 8 1 1 A 4 4 GLU CA C 4 53.690 58.042 -4.352 1
1 24 . 8 1 1 A 4 4 GLU CB C 4 29.430 29.314 0.116 1
1 26 . 8 1 1 A 4 4 GLU N N 4 119.290 118.400 0.890 1
1 27 . 8 1 1 A 5 5 PHE H H 5 8.810 8.011 0.799 1
1 28 . 8 1 1 A 5 5 PHE N N 5 126.600 115.670 10.930 1
1 29 . 8 1 1 A 6 6 PHE H H 6 8.070 8.434 -0.364 1
1 30 . 8 1 1 A 6 6 PHE HA H 6 4.650 4.469 0.181 1
1 33 . 8 1 1 A 6 6 PHE CA C 6 54.920 59.043 -4.123 1
1 34 . 8 1 1 A 6 6 PHE CB C 6 37.190 39.288 -2.098 1
1 35 . 8 1 1 A 6 6 PHE N N 6 120.380 118.799 1.581 1
1 36 . 8 1 1 A 7 7 GLN H H 7 7.980 9.134 -1.154 1
1 37 . 8 1 1 A 7 7 GLN HA H 7 4.430 4.433 -0.003 1
1 42 . 8 1 1 A 7 7 GLN CA C 7 54.860 57.356 -2.496 1
1 43 . 8 1 1 A 7 7 GLN CB C 7 26.570 26.839 -0.269 1
1 45 . 8 1 1 A 7 7 GLN N N 7 119.930 119.575 0.355 1
1 46 . 8 1 1 A 8 8 PHE H H 8 8.030 8.140 -0.110 1
1 47 . 8 1 1 A 8 8 PHE HA H 8 4.630 4.881 -0.251 1
1 50 . 8 1 1 A 8 8 PHE CA C 8 55.020 59.159 -4.139 1
1 51 . 8 1 1 A 8 8 PHE CB C 8 36.840 41.821 -4.981 1
1 52 . 8 1 1 A 8 8 PHE N N 8 119.560 119.017 0.543 1
1 53 . 8 1 1 A 9 9 THR H H 9 8.040 8.155 -0.115 1
1 54 . 8 1 1 A 9 9 THR HA H 9 4.300 4.300 0.000 1
1 59 . 8 1 1 A 9 9 THR CA C 9 59.410 62.335 -2.925 1
1 60 . 8 1 1 A 9 9 THR CB C 9 67.440 69.011 -1.571 1
1 62 . 8 1 1 A 9 9 THR N N 9 114.650 112.571 2.079 1
1 63 . 8 1 1 A 10 10 VAL H H 10 8.070 8.041 0.029 1
1 64 . 8 1 1 A 10 10 VAL HA H 10 4.210 3.820 0.390 1
1 72 . 8 1 1 A 10 10 VAL CA C 10 59.470 64.762 -5.292 1
1 73 . 8 1 1 A 10 10 VAL CB C 10 30.180 32.393 -2.213 1
1 75 . 8 1 1 A 10 10 VAL N N 10 120.380 121.852 -1.472 1
1 76 . 8 1 1 A 11 11 GLY H H 11 8.200 7.533 0.667 1
1 77 . 8 1 1 A 11 11 GLY HA2 H 11 4.090 3.956 0.134 1
1 78 . 8 1 1 A 11 11 GLY HA3 H 11 4.000 3.975 0.025 1
1 79 . 8 1 1 A 11 11 GLY CA C 11 41.420 45.476 -4.056 1
1 80 . 8 1 1 A 11 11 GLY N N 11 110.910 109.165 1.745 1
1 81 . 8 1 1 A 12 12 PRO HA H 12 4.360 4.572 -0.212 1
1 88 . 8 1 1 A 12 12 PRO CA C 12 60.590 63.305 -2.715 1
1 89 . 8 1 1 A 12 12 PRO CB C 12 33.600 31.119 2.481 1
1 92 . 8 1 1 A 13 13 LEU H H 13 8.360 8.595 -0.235 1
1 93 . 8 1 1 A 13 13 LEU HA H 13 4.340 3.861 0.479 1
1 103 . 8 1 1 A 13 13 LEU CA C 13 52.800 55.636 -2.836 1
1 104 . 8 1 1 A 13 13 LEU CB C 13 39.650 39.416 0.234 1
1 108 . 8 1 1 A 13 13 LEU N N 13 120.390 116.615 3.775 1
1 109 . 8 1 1 A 14 14 GLY H H 14 8.240 8.388 -0.148 1
1 110 . 8 1 1 A 14 14 GLY HA2 H 14 3.960 3.856 0.104 1
1 111 . 8 1 1 A 14 14 GLY HA3 H 14 3.660 3.913 -0.253 1
1 112 . 8 1 1 A 14 14 GLY CA C 14 40.240 45.265 -5.025 1
1 113 . 8 1 1 A 14 14 GLY N N 14 107.860 107.638 0.222 1
1 114 . 8 1 1 A 15 15 GLU H H 15 8.250 9.224 -0.974 1
1 115 . 8 1 1 A 15 15 GLU HA H 15 4.360 4.100 0.260 1
1 120 . 8 1 1 A 15 15 GLU CA C 15 53.920 57.653 -3.733 1
1 121 . 8 1 1 A 15 15 GLU CB C 15 27.800 28.947 -1.147 1
1 123 . 8 1 1 A 15 15 GLU N N 15 118.800 119.589 -0.789 1
1 124 . 8 1 1 A 16 16 GLY H H 16 8.460 8.636 -0.176 1
1 125 . 8 1 1 A 16 16 GLY HA2 H 16 3.960 4.042 -0.082 1
1 126 . 8 1 1 A 16 16 GLY HA3 H 16 3.880 4.044 -0.164 1
1 127 . 8 1 1 A 16 16 GLY CA C 16 42.490 44.874 -2.384 1
1 128 . 8 1 1 A 16 16 GLY N N 16 108.190 107.401 0.789 1
1 129 . 8 1 1 A 17 17 GLY H H 17 8.300 8.512 -0.212 1
1 130 . 8 1 1 A 17 17 GLY HA2 H 17 4.430 4.014 0.416 1
1 131 . 8 1 1 A 17 17 GLY HA3 H 17 3.780 4.176 -0.396 1
1 132 . 8 1 1 A 17 17 GLY CA C 17 42.550 45.749 -3.199 1
1 133 . 8 1 1 A 17 17 GLY N N 17 105.790 114.370 -8.580 1
1 134 . 8 1 1 A 18 18 ALA H H 18 8.800 8.779 0.021 1
1 135 . 8 1 1 A 18 18 ALA HA H 18 3.760 4.351 -0.591 1
1 139 . 8 1 1 A 18 18 ALA CA C 18 52.780 53.987 -1.207 1
1 140 . 8 1 1 A 18 18 ALA CB C 18 16.810 18.460 -1.650 1
1 141 . 8 1 1 A 18 18 ALA N N 18 120.770 124.611 -3.841 1
1 142 . 8 1 1 A 19 19 HIS H H 19 8.230 8.078 0.152 1
1 143 . 8 1 1 A 19 19 HIS HA H 19 4.410 4.305 0.105 1
1 146 . 8 1 1 A 19 19 HIS CA C 19 54.740 57.680 -2.940 1
1 147 . 8 1 1 A 19 19 HIS CB C 19 26.240 30.584 -4.344 1
1 148 . 8 1 1 A 19 19 HIS N N 19 109.490 118.632 -9.142 1
1 149 . 8 1 1 A 20 20 LYS H H 20 7.570 8.672 -1.102 1
1 150 . 8 1 1 A 20 20 LYS HA H 20 4.170 4.028 0.142 1
1 159 . 8 1 1 A 20 20 LYS CA C 20 52.100 55.896 -3.796 1
1 160 . 8 1 1 A 20 20 LYS CB C 20 29.850 33.696 -3.846 1
1 164 . 8 1 1 A 20 20 LYS N N 20 115.920 113.389 2.531 1
1 165 . 8 1 1 A 21 21 VAL H H 21 7.460 7.118 0.342 1
1 166 . 8 1 1 A 21 21 VAL HA H 21 4.270 3.836 0.434 1
1 174 . 8 1 1 A 21 21 VAL CA C 21 60.730 61.792 -1.062 1
1 175 . 8 1 1 A 21 21 VAL CB C 21 29.340 31.942 -2.602 1
1 178 . 8 1 1 A 21 21 VAL N N 21 122.030 121.497 0.533 1
1 179 . 8 1 1 A 22 22 ARG H H 22 7.840 8.812 -0.972 1
1 180 . 8 1 1 A 22 22 ARG HA H 22 5.100 4.994 0.106 1
1 187 . 8 1 1 A 22 22 ARG CA C 22 51.230 54.962 -3.732 1
1 188 . 8 1 1 A 22 22 ARG CB C 22 31.930 31.782 0.148 1
1 191 . 8 1 1 A 22 22 ARG N N 22 121.520 129.033 -7.513 1
1 192 . 8 1 1 A 23 23 ALA H H 23 8.920 8.862 0.058 1
1 193 . 8 1 1 A 23 23 ALA HA H 23 5.580 5.455 0.125 1
1 197 . 8 1 1 A 23 23 ALA CA C 23 47.810 51.188 -3.378 1
1 198 . 8 1 1 A 23 23 ALA CB C 23 21.660 21.907 -0.247 1
1 199 . 8 1 1 A 23 23 ALA N N 23 123.300 128.113 -4.813 1
1 200 . 8 1 1 A 24 24 GLY H H 24 8.450 8.403 0.047 1
1 201 . 8 1 1 A 24 24 GLY HA2 H 24 4.200 4.308 -0.108 1
1 202 . 8 1 1 A 24 24 GLY HA3 H 24 4.160 4.313 -0.153 1
1 203 . 8 1 1 A 24 24 GLY CA C 24 43.560 45.354 -1.794 1
1 204 . 8 1 1 A 24 24 GLY N N 24 104.220 109.156 -4.936 1
1 205 . 8 1 1 A 25 25 GLY H H 25 8.770 8.440 0.330 1
1 206 . 8 1 1 A 25 25 GLY HA2 H 25 4.880 4.272 0.608 1
1 207 . 8 1 1 A 25 25 GLY HA3 H 25 4.050 4.371 -0.321 1
1 208 . 8 1 1 A 25 25 GLY CA C 25 42.110 46.070 -3.960 1
1 209 . 8 1 1 A 25 25 GLY N N 25 109.590 110.051 -0.461 1
1 210 . 8 1 1 A 26 26 THR H H 26 8.620 8.741 -0.121 1
1 211 . 8 1 1 A 26 26 THR HA H 26 4.030 4.132 -0.102 1
1 216 . 8 1 1 A 26 26 THR CA C 26 63.280 64.700 -1.420 1
1 217 . 8 1 1 A 26 26 THR CB C 26 65.990 69.085 -3.095 1
1 219 . 8 1 1 A 26 26 THR N N 26 113.050 112.678 0.372 1
1 220 . 8 1 1 A 27 27 GLY H H 27 9.040 8.286 0.754 1
1 221 . 8 1 1 A 27 27 GLY HA2 H 27 4.270 4.131 0.139 1
1 222 . 8 1 1 A 27 27 GLY HA3 H 27 3.390 4.248 -0.858 1
1 223 . 8 1 1 A 27 27 GLY CA C 27 44.250 46.139 -1.889 1
1 224 . 8 1 1 A 27 27 GLY N N 27 105.190 111.802 -6.612 1
1 225 . 8 1 1 A 28 28 LEU H H 28 7.450 7.898 -0.448 1
1 226 . 8 1 1 A 28 28 LEU HA H 28 4.210 4.356 -0.146 1
1 236 . 8 1 1 A 28 28 LEU CA C 28 51.150 54.821 -3.671 1
1 237 . 8 1 1 A 28 28 LEU CB C 28 37.670 41.709 -4.039 1
1 241 . 8 1 1 A 28 28 LEU N N 28 114.980 119.921 -4.941 1
1 242 . 8 1 1 A 29 29 GLU H H 29 7.980 7.559 0.421 1
1 243 . 8 1 1 A 29 29 GLU HA H 29 4.540 4.401 0.139 1
1 248 . 8 1 1 A 29 29 GLU CA C 29 54.910 57.691 -2.781 1
1 249 . 8 1 1 A 29 29 GLU CB C 29 29.430 31.737 -2.307 1
1 251 . 8 1 1 A 29 29 GLU N N 29 117.810 116.421 1.389 1
1 252 . 8 1 1 A 30 30 ARG H H 30 8.340 7.332 1.008 1
1 253 . 8 1 1 A 30 30 ARG HA H 30 4.720 4.670 0.050 1
1 260 . 8 1 1 A 30 30 ARG CA C 30 53.350 54.994 -1.644 1
1 261 . 8 1 1 A 30 30 ARG CB C 30 29.440 32.641 -3.201 1
1 264 . 8 1 1 A 30 30 ARG N N 30 112.890 114.414 -1.524 1
1 265 . 8 1 1 A 31 31 GLY H H 31 8.100 8.007 0.093 1
1 266 . 8 1 1 A 31 31 GLY HA2 H 31 4.540 4.442 0.098 1
1 267 . 8 1 1 A 31 31 GLY HA3 H 31 3.610 4.463 -0.853 1
1 268 . 8 1 1 A 31 31 GLY CA C 31 41.630 45.101 -3.471 1
1 269 . 8 1 1 A 31 31 GLY N N 31 103.670 106.240 -2.570 1
1 270 . 8 1 1 A 32 32 VAL H H 32 9.410 8.613 0.797 1
1 271 . 8 1 1 A 32 32 VAL HA H 32 4.450 5.155 -0.705 1
1 279 . 8 1 1 A 32 32 VAL CA C 32 58.730 59.980 -1.250 1
1 280 . 8 1 1 A 32 32 VAL CB C 32 32.560 35.692 -3.132 1
1 283 . 8 1 1 A 32 32 VAL N N 32 122.160 120.527 1.633 1
1 284 . 8 1 1 A 33 33 ALA H H 33 8.560 8.530 0.030 1
1 285 . 8 1 1 A 33 33 ALA HA H 33 3.620 3.990 -0.370 1
1 289 . 8 1 1 A 33 33 ALA CA C 33 50.860 53.976 -3.116 1
1 290 . 8 1 1 A 33 33 ALA CB C 33 14.450 18.543 -4.093 1
1 291 . 8 1 1 A 33 33 ALA N N 33 129.490 129.397 0.093 1
1 292 . 8 1 1 A 34 34 GLY H H 34 8.590 8.828 -0.238 1
1 293 . 8 1 1 A 34 34 GLY HA2 H 34 4.320 3.907 0.413 1
1 294 . 8 1 1 A 34 34 GLY HA3 H 34 3.420 3.909 -0.489 1
1 295 . 8 1 1 A 34 34 GLY CA C 34 42.710 46.953 -4.243 1
1 296 . 8 1 1 A 34 34 GLY N N 34 106.900 111.634 -4.734 1
1 297 . 8 1 1 A 35 35 VAL H H 35 7.840 7.542 0.298 1
1 298 . 8 1 1 A 35 35 VAL HA H 35 4.450 4.412 0.038 1
1 306 . 8 1 1 A 35 35 VAL CA C 35 56.660 59.070 -2.410 1
1 307 . 8 1 1 A 35 35 VAL CB C 35 32.030 34.484 -2.454 1
1 310 . 8 1 1 A 35 35 VAL N N 35 121.520 119.721 1.799 1
1 311 . 8 1 1 A 36 36 PRO HA H 36 4.260 4.424 -0.164 1
1 318 . 8 1 1 A 36 36 PRO CA C 36 60.720 62.817 -2.097 1
1 319 . 8 1 1 A 36 36 PRO CB C 36 28.760 31.913 -3.153 1
1 322 . 8 1 1 A 37 37 ALA H H 37 8.920 8.096 0.824 1
1 323 . 8 1 1 A 37 37 ALA HA H 37 4.490 4.964 -0.474 1
1 327 . 8 1 1 A 37 37 ALA CA C 37 47.550 50.223 -2.673 1
1 328 . 8 1 1 A 37 37 ALA CB C 37 17.110 23.894 -6.784 1
1 329 . 8 1 1 A 37 37 ALA N N 37 129.160 123.519 5.641 1
1 330 . 8 1 1 A 38 38 GLU H H 38 8.470 8.861 -0.391 1
1 331 . 8 1 1 A 38 38 GLU HA H 38 4.330 5.140 -0.810 1
1 336 . 8 1 1 A 38 38 GLU CA C 38 52.150 55.555 -3.405 1
1 337 . 8 1 1 A 38 38 GLU CB C 38 31.010 33.581 -2.571 1
1 339 . 8 1 1 A 38 38 GLU N N 38 117.150 115.817 1.333 1
1 340 . 8 1 1 A 39 39 PHE H H 39 8.870 8.547 0.323 1
1 341 . 8 1 1 A 39 39 PHE HA H 39 4.520 5.262 -0.742 1
1 344 . 8 1 1 A 39 39 PHE CA C 39 54.670 56.203 -1.533 1
1 345 . 8 1 1 A 39 39 PHE CB C 39 37.170 41.118 -3.948 1
1 346 . 8 1 1 A 39 39 PHE N N 39 115.740 117.978 -2.238 1
1 347 . 8 1 1 A 40 40 SER H H 40 8.870 8.316 0.554 1
1 348 . 8 1 1 A 40 40 SER HA H 40 5.420 5.095 0.325 1
1 351 . 8 1 1 A 40 40 SER CA C 40 54.890 57.751 -2.861 1
1 352 . 8 1 1 A 40 40 SER CB C 40 63.790 64.796 -1.006 1
1 353 . 8 1 1 A 40 40 SER N N 40 113.140 116.318 -3.178 1
1 354 . 8 1 1 A 41 41 ILE H H 41 8.410 9.312 -0.902 1
1 355 . 8 1 1 A 41 41 ILE HA H 41 4.670 4.925 -0.255 1
1 365 . 8 1 1 A 41 41 ILE CA C 41 57.640 60.931 -3.291 1
1 366 . 8 1 1 A 41 41 ILE CB C 41 38.260 39.847 -1.587 1
1 370 . 8 1 1 A 41 41 ILE N N 41 118.020 123.500 -5.480 1
1 371 . 8 1 1 A 42 42 TRP H H 42 9.580 8.818 0.762 1
1 372 . 8 1 1 A 42 42 TRP HA H 42 4.870 5.113 -0.243 1
1 375 . 8 1 1 A 42 42 TRP CA C 42 56.240 56.670 -0.430 1
1 376 . 8 1 1 A 42 42 TRP CB C 42 27.690 31.528 -3.838 1
1 377 . 8 1 1 A 42 42 TRP N N 42 126.430 130.671 -4.241 1
1 378 . 8 1 1 A 43 43 THR H H 43 8.370 8.839 -0.469 1
1 379 . 8 1 1 A 43 43 THR HA H 43 3.800 4.402 -0.602 1
1 384 . 8 1 1 A 43 43 THR CA C 43 59.210 60.901 -1.691 1
1 385 . 8 1 1 A 43 43 THR CB C 43 67.070 71.001 -3.931 1
1 387 . 8 1 1 A 43 43 THR N N 43 112.460 120.684 -8.224 1
1 388 . 8 1 1 A 44 44 ARG HA H 44 3.910 4.714 -0.804 1
1 395 . 8 1 1 A 44 44 ARG CA C 44 57.190 55.201 1.989 1
1 396 . 8 1 1 A 44 44 ARG CB C 44 27.710 30.523 -2.813 1
1 399 . 8 1 1 A 45 45 GLU H H 45 8.260 8.486 -0.226 1
1 400 . 8 1 1 A 45 45 GLU HA H 45 4.160 4.566 -0.406 1
1 405 . 8 1 1 A 45 45 GLU CA C 45 54.510 57.989 -3.479 1
1 406 . 8 1 1 A 45 45 GLU CB C 45 27.510 31.813 -4.303 1
1 408 . 8 1 1 A 45 45 GLU N N 45 113.080 122.050 -8.970 1
1 409 . 8 1 1 A 46 46 ALA H H 46 7.550 8.092 -0.542 1
1 410 . 8 1 1 A 46 46 ALA HA H 46 3.870 4.143 -0.273 1
1 414 . 8 1 1 A 46 46 ALA CA C 46 50.350 54.482 -4.132 1
1 415 . 8 1 1 A 46 46 ALA CB C 46 18.120 19.919 -1.799 1
1 416 . 8 1 1 A 46 46 ALA N N 46 119.560 121.116 -1.556 1
1 417 . 8 1 1 A 47 47 GLY H H 47 7.450 7.381 0.069 1
1 418 . 8 1 1 A 47 47 GLY HA2 H 47 4.180 4.083 0.097 1
1 419 . 8 1 1 A 47 47 GLY HA3 H 47 3.630 4.095 -0.465 1
1 420 . 8 1 1 A 47 47 GLY CA C 47 41.940 45.086 -3.146 1
1 421 . 8 1 1 A 47 47 GLY N N 47 102.870 102.134 0.736 1
1 422 . 8 1 1 A 48 48 ALA H H 48 8.220 8.380 -0.160 1
1 423 . 8 1 1 A 48 48 ALA HA H 48 4.290 4.513 -0.223 1
1 427 . 8 1 1 A 48 48 ALA CA C 48 49.360 52.722 -3.362 1
1 428 . 8 1 1 A 48 48 ALA CB C 48 16.590 19.472 -2.882 1
1 429 . 8 1 1 A 48 48 ALA N N 48 120.390 123.797 -3.407 1
1 430 . 8 1 1 A 49 49 GLY H H 49 8.000 8.242 -0.242 1
1 431 . 8 1 1 A 49 49 GLY HA2 H 49 3.720 3.850 -0.130 1
1 432 . 8 1 1 A 49 49 GLY HA3 H 49 3.720 4.132 -0.412 1
1 433 . 8 1 1 A 49 49 GLY CA C 49 43.000 45.914 -2.914 1
1 434 . 8 1 1 A 49 49 GLY N N 49 106.720 106.850 -0.130 1
1 435 . 8 1 1 A 50 50 GLY H H 50 7.580 7.866 -0.286 1
1 436 . 8 1 1 A 50 50 GLY N N 50 104.780 110.729 -5.949 1
1 437 . 8 1 1 A 51 51 LEU HA H 51 5.300 5.211 0.089 1
1 444 . 8 1 1 A 51 51 LEU CA C 51 50.270 53.968 -3.698 1
1 445 . 8 1 1 A 51 51 LEU CB C 51 42.930 44.001 -1.071 1
1 448 . 8 1 1 A 52 52 SER H H 52 9.110 8.536 0.574 1
1 449 . 8 1 1 A 52 52 SER HA H 52 5.180 5.079 0.101 1
1 452 . 8 1 1 A 52 52 SER CA C 52 53.700 57.874 -4.174 1
1 453 . 8 1 1 A 52 52 SER CB C 52 63.000 64.151 -1.151 1
1 454 . 8 1 1 A 52 52 SER N N 52 117.210 123.472 -6.262 1
1 455 . 8 1 1 A 53 53 ILE H H 53 8.330 8.749 -0.419 1
1 456 . 8 1 1 A 53 53 ILE HA H 53 4.930 4.917 0.013 1
1 466 . 8 1 1 A 53 53 ILE CA C 53 57.220 60.730 -3.510 1
1 467 . 8 1 1 A 53 53 ILE CB C 53 37.710 40.359 -2.649 1
1 471 . 8 1 1 A 53 53 ILE N N 53 124.030 125.617 -1.587 1
1 472 . 8 1 1 A 54 54 ALA H H 54 8.920 8.519 0.401 1
1 473 . 8 1 1 A 54 54 ALA HA H 54 5.390 4.825 0.565 1
1 477 . 8 1 1 A 54 54 ALA CA C 54 47.440 50.603 -3.163 1
1 478 . 8 1 1 A 54 54 ALA CB C 54 19.810 20.230 -0.420 1
1 479 . 8 1 1 A 54 54 ALA N N 54 126.530 131.277 -4.747 1
1 480 . 8 1 1 A 55 55 VAL H H 55 9.010 8.670 0.340 1
1 481 . 8 1 1 A 55 55 VAL HA H 55 4.830 5.069 -0.239 1
1 489 . 8 1 1 A 55 55 VAL CA C 55 58.430 60.636 -2.206 1
1 490 . 8 1 1 A 55 55 VAL CB C 55 31.020 33.428 -2.408 1
1 493 . 8 1 1 A 55 55 VAL N N 55 119.590 119.234 0.356 1
1 494 . 8 1 1 A 56 56 GLU H H 56 9.270 8.925 0.345 1
1 495 . 8 1 1 A 56 56 GLU HA H 56 4.690 5.249 -0.559 1
1 500 . 8 1 1 A 56 56 GLU CA C 56 52.000 55.185 -3.185 1
1 501 . 8 1 1 A 56 56 GLU CB C 56 31.050 33.838 -2.788 1
1 503 . 8 1 1 A 56 56 GLU N N 56 127.360 123.651 3.709 1
1 504 . 8 1 1 A 57 57 GLY H H 57 8.620 8.253 0.367 1
1 505 . 8 1 1 A 57 57 GLY N N 57 108.540 111.180 -2.640 1
1 506 . 8 1 1 A 58 58 PRO HA H 58 4.480 4.330 0.150 1
1 513 . 8 1 1 A 58 58 PRO CA C 58 61.850 64.338 -2.488 1
1 514 . 8 1 1 A 58 58 PRO CB C 58 29.820 32.135 -2.315 1
1 517 . 8 1 1 A 59 59 SER H H 59 7.200 7.446 -0.246 1
1 518 . 8 1 1 A 59 59 SER HA H 59 4.620 4.840 -0.220 1
1 521 . 8 1 1 A 59 59 SER CA C 59 55.050 56.820 -1.770 1
1 522 . 8 1 1 A 59 59 SER CB C 59 63.650 65.836 -2.186 1
1 523 . 8 1 1 A 59 59 SER N N 59 106.970 111.261 -4.291 1
1 524 . 8 1 1 A 60 60 LYS H H 60 8.570 8.309 0.261 1
1 525 . 8 1 1 A 60 60 LYS HA H 60 4.000 4.632 -0.632 1
1 534 . 8 1 1 A 60 60 LYS CA C 60 54.090 56.018 -1.928 1
1 535 . 8 1 1 A 60 60 LYS CB C 60 30.480 32.882 -2.402 1
1 539 . 8 1 1 A 60 60 LYS N N 60 118.890 123.209 -4.319 1
1 540 . 8 1 1 A 61 61 ALA H H 61 8.830 8.508 0.322 1
1 541 . 8 1 1 A 61 61 ALA HA H 61 4.930 4.746 0.184 1
1 545 . 8 1 1 A 61 61 ALA CA C 61 47.980 51.920 -3.940 1
1 546 . 8 1 1 A 61 61 ALA CB C 61 17.500 19.353 -1.853 1
1 547 . 8 1 1 A 61 61 ALA N N 61 127.130 129.164 -2.034 1
1 548 . 8 1 1 A 62 62 GLU H H 62 8.440 8.471 -0.031 1
1 549 . 8 1 1 A 62 62 GLU HA H 62 4.610 4.475 0.135 1
1 554 . 8 1 1 A 62 62 GLU CA C 62 52.800 55.837 -3.037 1
1 555 . 8 1 1 A 62 62 GLU CB C 62 27.620 31.020 -3.400 1
1 557 . 8 1 1 A 62 62 GLU N N 62 121.980 122.282 -0.302 1
1 558 . 8 1 1 A 63 63 ILE H H 63 8.710 8.425 0.285 1
1 559 . 8 1 1 A 63 63 ILE HA H 63 4.710 5.168 -0.458 1
1 569 . 8 1 1 A 63 63 ILE CA C 63 58.480 59.976 -1.496 1
1 570 . 8 1 1 A 63 63 ILE CB C 63 37.820 42.458 -4.638 1
1 574 . 8 1 1 A 63 63 ILE N N 63 125.400 123.268 2.132 1
1 575 . 8 1 1 A 64 64 ALA H H 64 9.350 8.669 0.681 1
1 576 . 8 1 1 A 64 64 ALA HA H 64 5.400 4.977 0.423 1
1 580 . 8 1 1 A 64 64 ALA CA C 64 47.440 51.659 -4.219 1
1 581 . 8 1 1 A 64 64 ALA CB C 64 19.750 21.419 -1.669 1
1 582 . 8 1 1 A 64 64 ALA N N 64 130.180 125.570 4.610 1
1 583 . 8 1 1 A 65 65 PHE H H 65 8.120 8.488 -0.368 1
1 584 . 8 1 1 A 65 65 PHE HA H 65 5.410 5.317 0.093 1
1 587 . 8 1 1 A 65 65 PHE CA C 65 53.210 55.926 -2.716 1
1 588 . 8 1 1 A 65 65 PHE CB C 65 40.490 40.550 -0.060 1
1 589 . 8 1 1 A 65 65 PHE N N 65 115.800 121.203 -5.403 1
1 590 . 8 1 1 A 66 66 GLU H H 66 8.360 9.113 -0.753 1
1 591 . 8 1 1 A 66 66 GLU HA H 66 4.700 4.709 -0.009 1
1 596 . 8 1 1 A 66 66 GLU CA C 66 52.100 55.217 -3.117 1
1 597 . 8 1 1 A 66 66 GLU CB C 66 30.280 32.242 -1.962 1
1 599 . 8 1 1 A 66 66 GLU N N 66 120.390 123.349 -2.959 1
1 600 . 8 1 1 A 67 67 ASP H H 67 8.880 8.927 -0.047 1
1 601 . 8 1 1 A 67 67 ASP HA H 67 5.120 4.924 0.196 1
1 604 . 8 1 1 A 67 67 ASP CA C 67 51.070 53.561 -2.491 1
1 605 . 8 1 1 A 67 67 ASP CB C 67 38.310 40.576 -2.266 1
1 606 . 8 1 1 A 67 67 ASP N N 67 124.860 125.814 -0.954 1
1 607 . 8 1 1 A 68 68 ARG H H 68 8.330 8.547 -0.217 1
1 608 . 8 1 1 A 68 68 ARG HA H 68 4.170 4.490 -0.320 1
1 613 . 8 1 1 A 68 68 ARG CA C 68 54.170 57.021 -2.851 1
1 614 . 8 1 1 A 68 68 ARG CB C 68 27.740 30.482 -2.742 1
1 615 . 8 1 1 A 68 68 ARG N N 68 125.010 120.743 4.267 1
1 616 . 8 1 1 A 69 69 LYS H H 69 7.980 7.672 0.308 1
1 617 . 8 1 1 A 69 69 LYS HA H 69 4.030 4.417 -0.387 1
1 626 . 8 1 1 A 69 69 LYS CA C 69 55.530 55.243 0.287 1
1 627 . 8 1 1 A 69 69 LYS CB C 69 26.220 33.685 -7.465 1
1 631 . 8 1 1 A 69 69 LYS N N 69 118.110 118.656 -0.546 1
1 632 . 8 1 1 A 70 70 ASP H H 70 7.930 8.293 -0.363 1
1 633 . 8 1 1 A 70 70 ASP HA H 70 4.330 4.318 0.012 1
1 636 . 8 1 1 A 70 70 ASP CA C 70 52.540 55.526 -2.986 1
1 637 . 8 1 1 A 70 70 ASP CB C 70 40.020 40.411 -0.391 1
1 638 . 8 1 1 A 70 70 ASP N N 70 116.380 118.153 -1.773 1
1 639 . 8 1 1 A 71 71 GLY H H 71 9.080 8.184 0.896 1
1 640 . 8 1 1 A 71 71 GLY HA2 H 71 4.200 4.085 0.115 1
1 641 . 8 1 1 A 71 71 GLY HA3 H 71 3.630 4.164 -0.534 1
1 642 . 8 1 1 A 71 71 GLY CA C 71 42.480 45.599 -3.119 1
1 643 . 8 1 1 A 71 71 GLY N N 71 108.240 106.988 1.252 1
1 644 . 8 1 1 A 72 72 SER H H 72 8.400 8.060 0.340 1
1 645 . 8 1 1 A 72 72 SER HA H 72 5.470 4.673 0.797 1
1 648 . 8 1 1 A 72 72 SER CA C 72 54.440 58.661 -4.221 1
1 649 . 8 1 1 A 72 72 SER CB C 72 65.130 63.937 1.193 1
1 650 . 8 1 1 A 72 72 SER N N 72 116.980 115.927 1.053 1
1 651 . 8 1 1 A 73 73 CYS H H 73 8.810 8.809 0.001 1
1 652 . 8 1 1 A 73 73 CYS HA H 73 5.210 5.010 0.200 1
1 655 . 8 1 1 A 73 73 CYS CA C 73 53.240 58.163 -4.923 1
1 656 . 8 1 1 A 73 73 CYS CB C 73 28.520 29.378 -0.858 1
1 657 . 8 1 1 A 73 73 CYS N N 73 114.140 126.185 -12.045 1
1 658 . 8 1 1 A 74 74 GLY H H 74 8.880 9.045 -0.165 1
1 659 . 8 1 1 A 74 74 GLY HA2 H 74 4.540 4.062 0.478 1
1 660 . 8 1 1 A 74 74 GLY HA3 H 74 3.610 4.127 -0.517 1
1 661 . 8 1 1 A 74 74 GLY CA C 74 41.630 44.580 -2.950 1
1 662 . 8 1 1 A 74 74 GLY N N 74 110.010 114.037 -4.027 1
1 663 . 8 1 1 A 75 75 VAL H H 75 8.480 8.981 -0.501 1
1 664 . 8 1 1 A 75 75 VAL HA H 75 4.550 4.908 -0.358 1
1 672 . 8 1 1 A 75 75 VAL CA C 75 57.860 61.008 -3.148 1
1 673 . 8 1 1 A 75 75 VAL CB C 75 30.530 32.161 -1.631 1
1 676 . 8 1 1 A 75 75 VAL N N 75 122.510 126.700 -4.190 1
1 677 . 8 1 1 A 76 76 SER H H 76 8.700 9.491 -0.791 1
1 678 . 8 1 1 A 76 76 SER HA H 76 5.540 5.134 0.406 1
1 681 . 8 1 1 A 76 76 SER CA C 76 53.360 57.446 -4.086 1
1 682 . 8 1 1 A 76 76 SER CB C 76 63.190 64.439 -1.249 1
1 683 . 8 1 1 A 76 76 SER N N 76 118.910 124.162 -5.252 1
1 684 . 8 1 1 A 77 77 TYR H H 77 8.960 8.537 0.423 1
1 685 . 8 1 1 A 77 77 TYR HA H 77 4.420 5.857 -1.437 1
1 688 . 8 1 1 A 77 77 TYR CA C 77 52.780 55.688 -2.908 1
1 689 . 8 1 1 A 77 77 TYR CB C 77 39.950 42.026 -2.076 1
1 690 . 8 1 1 A 77 77 TYR N N 77 118.060 121.293 -3.233 1
1 691 . 8 1 1 A 78 78 VAL H H 78 8.160 8.473 -0.313 1
1 692 . 8 1 1 A 78 78 VAL HA H 78 4.320 4.743 -0.423 1
1 700 . 8 1 1 A 78 78 VAL CA C 78 57.510 60.187 -2.677 1
1 701 . 8 1 1 A 78 78 VAL CB C 78 32.620 35.014 -2.394 1
1 704 . 8 1 1 A 78 78 VAL N N 78 116.800 121.183 -4.383 1
1 705 . 8 1 1 A 79 79 VAL H H 79 8.730 8.718 0.012 1
1 706 . 8 1 1 A 79 79 VAL HA H 79 4.760 4.422 0.338 1
1 714 . 8 1 1 A 79 79 VAL CA C 79 55.750 60.288 -4.538 1
1 715 . 8 1 1 A 79 79 VAL CB C 79 30.530 34.320 -3.790 1
1 718 . 8 1 1 A 79 79 VAL N N 79 119.730 125.094 -5.364 1
1 719 . 8 1 1 A 80 80 GLN H H 80 8.030 9.269 -1.239 1
1 720 . 8 1 1 A 80 80 GLN HA H 80 4.240 4.498 -0.258 1
1 725 . 8 1 1 A 80 80 GLN CA C 80 53.910 57.038 -3.128 1
1 726 . 8 1 1 A 80 80 GLN CB C 80 27.130 30.693 -3.563 1
1 728 . 8 1 1 A 80 80 GLN N N 80 116.150 122.156 -6.006 1
1 729 . 8 1 1 A 81 81 GLU H H 81 7.070 7.941 -0.871 1
1 730 . 8 1 1 A 81 81 GLU HA H 81 5.010 4.806 0.204 1
1 735 . 8 1 1 A 81 81 GLU CA C 81 49.600 54.589 -4.989 1
1 736 . 8 1 1 A 81 81 GLU CB C 81 29.410 32.342 -2.932 1
1 738 . 8 1 1 A 81 81 GLU N N 81 113.990 114.442 -0.452 1
1 739 . 8 1 1 A 82 82 PRO HA H 82 5.040 4.686 0.354 1
1 746 . 8 1 1 A 82 82 PRO CA C 82 59.910 63.759 -3.849 1
1 747 . 8 1 1 A 82 82 PRO CB C 82 29.280 32.210 -2.930 1
1 750 . 8 1 1 A 83 83 GLY H H 83 8.840 7.780 1.060 1
1 751 . 8 1 1 A 83 83 GLY CA C 83 41.780 44.770 -2.990 1
1 752 . 8 1 1 A 83 83 GLY N N 83 104.910 107.888 -2.978 1
1 753 . 8 1 1 A 84 84 ASP H H 84 8.250 8.326 -0.076 1
1 754 . 8 1 1 A 84 84 ASP HA H 84 5.260 5.211 0.049 1
1 757 . 8 1 1 A 84 84 ASP CA C 84 51.540 53.138 -1.598 1
1 758 . 8 1 1 A 84 84 ASP CB C 84 38.700 41.049 -2.349 1
1 759 . 8 1 1 A 84 84 ASP N N 84 118.800 120.863 -2.063 1
1 760 . 8 1 1 A 85 85 TYR H H 85 8.810 8.512 0.298 1
1 761 . 8 1 1 A 85 85 TYR HA H 85 3.970 4.946 -0.976 1
1 764 . 8 1 1 A 85 85 TYR CA C 85 53.930 59.020 -5.090 1
1 765 . 8 1 1 A 85 85 TYR CB C 85 37.760 39.223 -1.463 1
1 766 . 8 1 1 A 85 85 TYR N N 85 121.630 124.415 -2.785 1
1 767 . 8 1 1 A 86 86 GLU H H 86 9.320 9.015 0.305 1
1 768 . 8 1 1 A 86 86 GLU HA H 86 5.260 5.183 0.077 1
1 773 . 8 1 1 A 86 86 GLU CA C 86 52.350 54.990 -2.640 1
1 774 . 8 1 1 A 86 86 GLU CB C 86 30.070 31.932 -1.862 1
1 776 . 8 1 1 A 86 86 GLU N N 86 120.420 122.973 -2.553 1
1 777 . 8 1 1 A 87 87 VAL H H 87 9.810 8.302 1.508 1
1 778 . 8 1 1 A 87 87 VAL HA H 87 4.990 4.889 0.101 1
1 786 . 8 1 1 A 87 87 VAL CA C 87 58.590 59.134 -0.544 1
1 787 . 8 1 1 A 87 87 VAL CB C 87 30.210 34.270 -4.060 1
1 790 . 8 1 1 A 87 87 VAL N N 87 129.200 122.933 6.267 1
1 791 . 8 1 1 A 88 88 SER H H 88 9.560 8.606 0.954 1
1 792 . 8 1 1 A 88 88 SER HA H 88 5.170 5.003 0.167 1
1 795 . 8 1 1 A 88 88 SER CA C 88 55.170 57.848 -2.678 1
1 796 . 8 1 1 A 88 88 SER CB C 88 62.790 64.269 -1.479 1
1 797 . 8 1 1 A 88 88 SER N N 88 121.730 125.026 -3.296 1
1 798 . 8 1 1 A 89 89 ILE H H 89 9.570 8.796 0.774 1
1 799 . 8 1 1 A 89 89 ILE HA H 89 4.920 5.314 -0.394 1
1 809 . 8 1 1 A 89 89 ILE CA C 89 57.020 59.403 -2.383 1
1 810 . 8 1 1 A 89 89 ILE CB C 89 38.120 39.604 -1.484 1
1 814 . 8 1 1 A 89 89 ILE N N 89 125.650 122.366 3.284 1
1 815 . 8 1 1 A 90 90 LYS H H 90 8.760 8.686 0.074 1
1 816 . 8 1 1 A 90 90 LYS HA H 90 5.130 5.392 -0.262 1
1 825 . 8 1 1 A 90 90 LYS CA C 90 50.980 54.753 -3.773 1
1 826 . 8 1 1 A 90 90 LYS CB C 90 33.850 35.553 -1.703 1
1 830 . 8 1 1 A 90 90 LYS N N 90 122.170 124.520 -2.350 1
1 831 . 8 1 1 A 91 91 PHE H H 91 9.040 8.440 0.600 1
1 832 . 8 1 1 A 91 91 PHE HA H 91 5.330 4.674 0.656 1
1 835 . 8 1 1 A 91 91 PHE CA C 91 53.190 57.605 -4.415 1
1 836 . 8 1 1 A 91 91 PHE CB C 91 40.200 39.596 0.604 1
1 837 . 8 1 1 A 91 91 PHE N N 91 120.990 125.515 -4.525 1
1 838 . 8 1 1 A 92 92 ASN H H 92 9.210 9.620 -0.410 1
1 839 . 8 1 1 A 92 92 ASN HA H 92 4.220 4.208 0.012 1
1 842 . 8 1 1 A 92 92 ASN CA C 92 51.480 53.958 -2.478 1
1 843 . 8 1 1 A 92 92 ASN CB C 92 33.610 37.018 -3.408 1
1 844 . 8 1 1 A 92 92 ASN N N 92 127.010 125.309 1.701 1
1 845 . 8 1 1 A 93 93 ASP H H 93 8.760 8.510 0.250 1
1 846 . 8 1 1 A 93 93 ASP HA H 93 3.970 4.260 -0.290 1
1 849 . 8 1 1 A 93 93 ASP CA C 93 53.920 55.955 -2.035 1
1 850 . 8 1 1 A 93 93 ASP CB C 93 38.060 39.202 -1.142 1
1 851 . 8 1 1 A 93 93 ASP N N 93 107.220 111.049 -3.829 1
1 852 . 8 1 1 A 94 94 GLU H H 94 7.500 8.094 -0.594 1
1 853 . 8 1 1 A 94 94 GLU HA H 94 4.700 4.788 -0.088 1
1 857 . 8 1 1 A 94 94 GLU CA C 94 51.940 55.477 -3.537 1
1 858 . 8 1 1 A 94 94 GLU CB C 94 29.680 30.160 -0.480 1
1 860 . 8 1 1 A 94 94 GLU N N 94 117.830 117.409 0.421 1
1 861 . 8 1 1 A 95 95 HIS H H 95 8.770 8.954 -0.184 1
1 862 . 8 1 1 A 95 95 HIS HA H 95 4.480 4.658 -0.178 1
1 865 . 8 1 1 A 95 95 HIS CA C 95 56.530 56.035 0.495 1
1 866 . 8 1 1 A 95 95 HIS CB C 95 29.690 29.826 -0.136 1
1 867 . 8 1 1 A 95 95 HIS N N 95 121.910 121.276 0.634 1
1 868 . 8 1 1 A 96 96 ILE H H 96 8.110 8.106 0.004 1
1 869 . 8 1 1 A 96 96 ILE HA H 96 4.310 3.978 0.332 1
1 871 . 8 1 1 A 96 96 ILE CA C 96 57.520 60.660 -3.140 1
1 872 . 8 1 1 A 96 96 ILE CB C 96 32.720 37.878 -5.158 1
1 873 . 8 1 1 A 96 96 ILE N N 96 116.370 124.721 -8.351 1
1 874 . 8 1 1 A 97 97 PRO CA C 97 63.500 64.807 -1.307 1
1 875 . 8 1 1 A 97 97 PRO CB C 97 28.690 31.704 -3.014 1
1 878 . 8 1 1 A 98 98 ASP H H 98 7.940 8.548 -0.608 1
1 879 . 8 1 1 A 98 98 ASP HA H 98 5.010 4.457 0.553 1
1 882 . 8 1 1 A 98 98 ASP CA C 98 54.510 57.398 -2.888 1
1 883 . 8 1 1 A 98 98 ASP CB C 98 37.760 41.055 -3.295 1
1 884 . 8 1 1 A 98 98 ASP N N 98 113.440 118.596 -5.156 1
1 885 . 8 1 1 A 99 99 SER H H 99 7.470 7.750 -0.280 1
1 886 . 8 1 1 A 99 99 SER HA H 99 4.230 4.678 -0.448 1
1 889 . 8 1 1 A 99 99 SER CA C 99 52.370 57.075 -4.705 1
1 890 . 8 1 1 A 99 99 SER CB C 99 60.430 63.061 -2.631 1
1 891 . 8 1 1 A 99 99 SER N N 99 110.680 112.261 -1.581 1
1 892 . 8 1 1 A 100 100 PRO HA H 100 4.550 4.988 -0.438 1
1 899 . 8 1 1 A 100 100 PRO CA C 100 59.920 62.515 -2.595 1
1 900 . 8 1 1 A 100 100 PRO CB C 100 31.880 31.787 0.093 1
1 903 . 8 1 1 A 101 101 PHE H H 101 9.270 7.715 1.555 1
1 904 . 8 1 1 A 101 101 PHE HA H 101 4.560 5.239 -0.679 1
1 907 . 8 1 1 A 101 101 PHE CA C 101 54.060 54.987 -0.927 1
1 908 . 8 1 1 A 101 101 PHE CB C 101 37.930 42.031 -4.101 1
1 909 . 8 1 1 A 101 101 PHE N N 101 119.180 118.604 0.576 1
1 910 . 8 1 1 A 102 102 VAL H H 102 8.760 8.663 0.097 1
1 911 . 8 1 1 A 102 102 VAL HA H 102 4.580 4.933 -0.353 1
1 919 . 8 1 1 A 102 102 VAL CA C 102 60.400 60.548 -0.148 1
1 920 . 8 1 1 A 102 102 VAL CB C 102 28.970 33.656 -4.686 1
1 923 . 8 1 1 A 102 102 VAL N N 102 123.120 120.895 2.225 1
1 924 . 8 1 1 A 103 103 VAL H H 103 9.520 10.081 -0.561 1
1 925 . 8 1 1 A 103 103 VAL HA H 103 4.390 4.791 -0.401 1
1 933 . 8 1 1 A 103 103 VAL CA C 103 57.200 59.322 -2.122 1
1 934 . 8 1 1 A 103 103 VAL CB C 103 32.060 33.299 -1.239 1
1 937 . 8 1 1 A 103 103 VAL N N 103 130.330 128.579 1.751 1
1 938 . 8 1 1 A 104 104 PRO HA H 104 4.370 4.842 -0.472 1
1 941 . 8 1 1 A 104 104 PRO CA C 104 60.240 62.800 -2.560 1
1 942 . 8 1 1 A 104 104 PRO CB C 104 29.660 31.737 -2.077 1
1 945 . 8 1 1 A 105 105 VAL H H 105 9.300 8.293 1.007 1
1 946 . 8 1 1 A 105 105 VAL HA H 105 4.300 4.636 -0.336 1
1 954 . 8 1 1 A 105 105 VAL CA C 105 59.210 61.959 -2.749 1
1 955 . 8 1 1 A 105 105 VAL CB C 105 28.840 32.650 -3.810 1
1 958 . 8 1 1 A 105 105 VAL N N 105 126.320 124.326 1.994 1
1 959 . 8 1 1 A 106 106 ALA H H 106 8.360 9.866 -1.506 1
1 960 . 8 1 1 A 106 106 ALA HA H 106 4.660 5.213 -0.553 1
1 964 . 8 1 1 A 106 106 ALA CA C 106 48.340 50.278 -1.938 1
1 965 . 8 1 1 A 106 106 ALA CB C 106 18.960 21.695 -2.735 1
1 966 . 8 1 1 A 106 106 ALA N N 106 130.550 129.604 0.946 1
1 967 . 8 1 1 A 107 107 SER H H 107 8.590 8.845 -0.255 1
1 968 . 8 1 1 A 107 107 SER HA H 107 4.490 4.672 -0.182 1
1 971 . 8 1 1 A 107 107 SER CA C 107 55.570 56.937 -1.367 1
1 972 . 8 1 1 A 107 107 SER CB C 107 61.760 62.730 -0.970 1
1 973 . 8 1 1 A 107 107 SER N N 107 112.340 119.811 -7.471 1
1 974 . 8 1 1 A 108 108 LEU H H 108 8.660 8.172 0.488 1
1 975 . 8 1 1 A 108 108 LEU HA H 108 4.300 4.091 0.209 1
1 985 . 8 1 1 A 108 108 LEU CA C 108 53.250 56.510 -3.260 1
1 986 . 8 1 1 A 108 108 LEU CB C 108 39.650 42.037 -2.387 1
1 990 . 8 1 1 A 108 108 LEU N N 108 123.200 128.540 -5.340 1
1 991 . 8 1 1 A 109 109 SER H H 109 8.210 8.149 0.061 1
1 992 . 8 1 1 A 109 109 SER HA H 109 4.370 4.490 -0.120 1
1 995 . 8 1 1 A 109 109 SER CA C 109 55.810 60.203 -4.393 1
1 996 . 8 1 1 A 109 109 SER CB C 109 61.240 63.627 -2.387 1
1 997 . 8 1 1 A 109 109 SER N N 109 114.710 115.216 -0.506 1
1 998 . 8 1 1 A 110 110 ASP H H 110 8.240 8.059 0.181 1
1 999 . 8 1 1 A 110 110 ASP HA H 110 4.500 4.364 0.136 1
1 1002 . 8 1 1 A 110 110 ASP CA C 110 52.740 55.682 -2.942 1
1 1003 . 8 1 1 A 110 110 ASP CB C 110 38.260 39.463 -1.203 1
1 1004 . 8 1 1 A 110 110 ASP N N 110 121.030 118.357 2.673 1
1 1005 . 8 1 1 A 111 111 ASP H H 111 8.210 7.788 0.422 1
1 1006 . 8 1 1 A 111 111 ASP HA H 111 4.500 4.814 -0.314 1
1 1009 . 8 1 1 A 111 111 ASP CA C 111 52.770 54.003 -1.233 1
1 1010 . 8 1 1 A 111 111 ASP CB C 111 38.290 42.907 -4.617 1
1 1011 . 8 1 1 A 111 111 ASP N N 111 118.910 115.146 3.764 1
1 1012 . 8 1 1 A 112 112 ALA H H 112 8.050 7.925 0.125 1
1 1013 . 8 1 1 A 112 112 ALA HA H 112 4.170 3.933 0.237 1
1 1017 . 8 1 1 A 112 112 ALA CA C 112 50.710 52.908 -2.198 1
1 1018 . 8 1 1 A 112 112 ALA CB C 112 16.110 17.510 -1.400 1
1 1019 . 8 1 1 A 112 112 ALA N N 112 121.600 120.891 0.709 1
1 1020 . 8 1 1 A 113 113 ARG H H 113 7.960 8.055 -0.095 1
1 1021 . 8 1 1 A 113 113 ARG HA H 113 4.030 4.405 -0.375 1
1 1027 . 8 1 1 A 113 113 ARG CA C 113 55.200 55.649 -0.449 1
1 1028 . 8 1 1 A 113 113 ARG CB C 113 27.730 31.101 -3.371 1
1 1031 . 8 1 1 A 113 113 ARG N N 113 116.640 117.359 -0.719 1
1 1032 . 8 1 1 A 114 114 ARG H H 114 7.930 8.719 -0.789 1
1 1033 . 8 1 1 A 114 114 ARG HA H 114 4.000 4.533 -0.533 1
1 1040 . 8 1 1 A 114 114 ARG CA C 114 53.940 55.872 -1.932 1
1 1041 . 8 1 1 A 114 114 ARG CB C 114 30.550 32.078 -1.528 1
1 1044 . 8 1 1 A 114 114 ARG N N 114 116.380 122.402 -6.022 1
1 1045 . 8 1 1 A 115 115 LEU H H 115 8.000 7.768 0.232 1
1 1046 . 8 1 1 A 115 115 LEU HA H 115 4.320 4.410 -0.090 1
1 1056 . 8 1 1 A 115 115 LEU CA C 115 52.870 55.841 -2.971 1
1 1057 . 8 1 1 A 115 115 LEU CB C 115 39.640 43.997 -4.357 1
1 1061 . 8 1 1 A 115 115 LEU N N 115 120.260 119.092 1.168 1
1 1062 . 8 1 1 A 116 116 THR H H 116 7.970 7.695 0.275 1
1 1063 . 8 1 1 A 116 116 THR HA H 116 4.390 4.469 -0.079 1
1 1068 . 8 1 1 A 116 116 THR CA C 116 59.270 62.832 -3.562 1
1 1069 . 8 1 1 A 116 116 THR CB C 116 67.420 69.618 -2.198 1
1 1071 . 8 1 1 A 116 116 THR N N 116 113.250 110.463 2.787 1
1 1072 . 8 1 1 A 117 117 VAL H H 117 8.070 8.107 -0.037 1
1 1073 . 8 1 1 A 117 117 VAL HA H 117 4.330 3.947 0.383 1
1 1078 . 8 1 1 A 117 117 VAL CA C 117 60.230 65.384 -5.154 1
1 1079 . 8 1 1 A 117 117 VAL CB C 117 30.360 31.799 -1.439 1
1 1081 . 8 1 1 A 117 117 VAL N N 117 120.990 122.562 -1.572 1
1 1082 . 8 1 1 A 118 118 THR H H 118 8.210 8.018 0.192 1
1 1083 . 8 1 1 A 118 118 THR HA H 118 4.380 3.944 0.436 1
1 1088 . 8 1 1 A 118 118 THR CA C 118 58.770 63.119 -4.349 1
1 1089 . 8 1 1 A 118 118 THR CB C 118 67.420 67.664 -0.244 1
1 1091 . 8 1 1 A 118 118 THR N N 118 116.420 116.358 0.062 1
1 1098 . 8 2 2 B 6 6 GLU H H 6 8.780 8.657 0.123 1
1 1099 . 8 2 2 B 6 6 GLU HA H 6 4.160 4.631 -0.471 1
1 1104 . 8 2 2 B 8 8 ARG H H 8 8.200 8.108 0.092 1
1 1105 . 8 2 2 B 8 8 ARG HA H 8 4.210 4.428 -0.218 1
1 1111 . 8 2 2 B 9 9 VAL H H 9 9.000 8.321 0.679 1
1 1112 . 8 2 2 B 9 9 VAL HA H 9 4.070 4.045 0.025 1
1 1123 . 8 2 2 B 11 11 SER H H 11 8.490 8.788 -0.298 1
1 1126 . 8 2 2 B 12 12 SER HA H 12 4.410 5.317 -0.907 1
1 1129 . 8 2 2 B 13 13 VAL H H 13 8.800 8.241 0.559 1
1 1130 . 8 2 2 B 13 13 VAL HA H 13 4.010 3.815 0.195 1
1 1138 . 8 2 2 B 14 14 PHE HA H 14 4.620 5.128 -0.508 1
1 1143 . 8 2 2 B 15 15 ILE H H 15 8.710 8.763 -0.053 1
1 1144 . 8 2 2 B 15 15 ILE HA H 15 4.140 5.055 -0.915 1
1 1154 . 8 2 2 B 16 16 THR HA H 16 4.220 4.897 -0.677 1
1 1159 . 8 2 2 B 17 17 LEU H H 17 8.270 8.852 -0.582 1
1 1160 . 8 2 2 B 17 17 LEU HA H 17 4.130 4.840 -0.710 1
1 1170 . 8 2 2 B 18 18 ALA HA H 18 4.500 4.763 -0.263 1
1 4 . 9 1 1 A 2 2 ILE H H 2 8.800 8.440 0.360 1
1 5 . 9 1 1 A 2 2 ILE N N 2 126.630 120.401 6.229 1
1 6 . 9 1 1 A 3 3 PRO HA H 3 4.360 4.283 0.077 1
1 13 . 9 1 1 A 3 3 PRO CA C 3 60.670 66.170 -5.500 1
1 14 . 9 1 1 A 3 3 PRO CB C 3 29.390 31.255 -1.865 1
1 17 . 9 1 1 A 4 4 GLU H H 4 8.270 8.205 0.065 1
1 18 . 9 1 1 A 4 4 GLU HA H 4 4.360 4.159 0.201 1
1 23 . 9 1 1 A 4 4 GLU CA C 4 53.690 58.088 -4.398 1
1 24 . 9 1 1 A 4 4 GLU CB C 4 29.430 29.526 -0.096 1
1 26 . 9 1 1 A 4 4 GLU N N 4 119.290 118.363 0.927 1
1 27 . 9 1 1 A 5 5 PHE H H 5 8.810 8.087 0.723 1
1 28 . 9 1 1 A 5 5 PHE N N 5 126.600 116.072 10.528 1
1 29 . 9 1 1 A 6 6 PHE H H 6 8.070 8.429 -0.359 1
1 30 . 9 1 1 A 6 6 PHE HA H 6 4.650 4.470 0.180 1
1 33 . 9 1 1 A 6 6 PHE CA C 6 54.920 58.922 -4.002 1
1 34 . 9 1 1 A 6 6 PHE CB C 6 37.190 39.291 -2.101 1
1 35 . 9 1 1 A 6 6 PHE N N 6 120.380 118.785 1.595 1
1 36 . 9 1 1 A 7 7 GLN H H 7 7.980 9.134 -1.154 1
1 37 . 9 1 1 A 7 7 GLN HA H 7 4.430 4.330 0.100 1
1 42 . 9 1 1 A 7 7 GLN CA C 7 54.860 57.335 -2.475 1
1 43 . 9 1 1 A 7 7 GLN CB C 7 26.570 28.504 -1.934 1
1 45 . 9 1 1 A 7 7 GLN N N 7 119.930 119.308 0.622 1
1 46 . 9 1 1 A 8 8 PHE H H 8 8.030 8.131 -0.101 1
1 47 . 9 1 1 A 8 8 PHE HA H 8 4.630 4.839 -0.209 1
1 50 . 9 1 1 A 8 8 PHE CA C 8 55.020 59.101 -4.081 1
1 51 . 9 1 1 A 8 8 PHE CB C 8 36.840 41.781 -4.941 1
1 52 . 9 1 1 A 8 8 PHE N N 8 119.560 119.493 0.067 1
1 53 . 9 1 1 A 9 9 THR H H 9 8.040 8.193 -0.153 1
1 54 . 9 1 1 A 9 9 THR HA H 9 4.300 4.423 -0.123 1
1 59 . 9 1 1 A 9 9 THR CA C 9 59.410 62.694 -3.284 1
1 60 . 9 1 1 A 9 9 THR CB C 9 67.440 68.846 -1.406 1
1 62 . 9 1 1 A 9 9 THR N N 9 114.650 112.805 1.845 1
1 63 . 9 1 1 A 10 10 VAL H H 10 8.070 8.062 0.008 1
1 64 . 9 1 1 A 10 10 VAL HA H 10 4.210 3.844 0.366 1
1 72 . 9 1 1 A 10 10 VAL CA C 10 59.470 64.903 -5.433 1
1 73 . 9 1 1 A 10 10 VAL CB C 10 30.180 32.209 -2.029 1
1 75 . 9 1 1 A 10 10 VAL N N 10 120.380 121.901 -1.521 1
1 76 . 9 1 1 A 11 11 GLY H H 11 8.200 7.551 0.649 1
1 77 . 9 1 1 A 11 11 GLY HA2 H 11 4.090 4.055 0.035 1
1 78 . 9 1 1 A 11 11 GLY HA3 H 11 4.000 4.059 -0.059 1
1 79 . 9 1 1 A 11 11 GLY CA C 11 41.420 45.761 -4.341 1
1 80 . 9 1 1 A 11 11 GLY N N 11 110.910 109.174 1.736 1
1 81 . 9 1 1 A 12 12 PRO HA H 12 4.360 4.568 -0.208 1
1 88 . 9 1 1 A 12 12 PRO CA C 12 60.590 63.288 -2.698 1
1 89 . 9 1 1 A 12 12 PRO CB C 12 33.600 31.074 2.526 1
1 92 . 9 1 1 A 13 13 LEU H H 13 8.360 8.599 -0.239 1
1 93 . 9 1 1 A 13 13 LEU HA H 13 4.340 3.718 0.622 1
1 103 . 9 1 1 A 13 13 LEU CA C 13 52.800 55.401 -2.601 1
1 104 . 9 1 1 A 13 13 LEU CB C 13 39.650 39.210 0.440 1
1 108 . 9 1 1 A 13 13 LEU N N 13 120.390 116.093 4.297 1
1 109 . 9 1 1 A 14 14 GLY H H 14 8.240 8.392 -0.152 1
1 110 . 9 1 1 A 14 14 GLY HA2 H 14 3.960 3.925 0.035 1
1 111 . 9 1 1 A 14 14 GLY HA3 H 14 3.660 3.936 -0.276 1
1 112 . 9 1 1 A 14 14 GLY CA C 14 40.240 45.196 -4.956 1
1 113 . 9 1 1 A 14 14 GLY N N 14 107.860 107.744 0.116 1
1 114 . 9 1 1 A 15 15 GLU H H 15 8.250 9.185 -0.935 1
1 115 . 9 1 1 A 15 15 GLU HA H 15 4.360 4.029 0.331 1
1 120 . 9 1 1 A 15 15 GLU CA C 15 53.920 57.468 -3.548 1
1 121 . 9 1 1 A 15 15 GLU CB C 15 27.800 28.535 -0.735 1
1 123 . 9 1 1 A 15 15 GLU N N 15 118.800 119.659 -0.859 1
1 124 . 9 1 1 A 16 16 GLY H H 16 8.460 8.639 -0.179 1
1 125 . 9 1 1 A 16 16 GLY HA2 H 16 3.960 4.058 -0.098 1
1 126 . 9 1 1 A 16 16 GLY HA3 H 16 3.880 4.061 -0.181 1
1 127 . 9 1 1 A 16 16 GLY CA C 16 42.490 44.899 -2.409 1
1 128 . 9 1 1 A 16 16 GLY N N 16 108.190 106.608 1.582 1
1 129 . 9 1 1 A 17 17 GLY H H 17 8.300 8.443 -0.143 1
1 130 . 9 1 1 A 17 17 GLY HA2 H 17 4.430 3.978 0.452 1
1 131 . 9 1 1 A 17 17 GLY HA3 H 17 3.780 4.160 -0.380 1
1 132 . 9 1 1 A 17 17 GLY CA C 17 42.550 45.596 -3.046 1
1 133 . 9 1 1 A 17 17 GLY N N 17 105.790 114.616 -8.826 1
1 134 . 9 1 1 A 18 18 ALA H H 18 8.800 8.030 0.770 1
1 135 . 9 1 1 A 18 18 ALA HA H 18 3.760 4.316 -0.556 1
1 139 . 9 1 1 A 18 18 ALA CA C 18 52.780 54.492 -1.712 1
1 140 . 9 1 1 A 18 18 ALA CB C 18 16.810 18.518 -1.708 1
1 141 . 9 1 1 A 18 18 ALA N N 18 120.770 124.457 -3.687 1
1 142 . 9 1 1 A 19 19 HIS H H 19 8.230 7.888 0.342 1
1 143 . 9 1 1 A 19 19 HIS HA H 19 4.410 4.234 0.176 1
1 146 . 9 1 1 A 19 19 HIS CA C 19 54.740 59.346 -4.606 1
1 147 . 9 1 1 A 19 19 HIS CB C 19 26.240 29.953 -3.713 1
1 148 . 9 1 1 A 19 19 HIS N N 19 109.490 118.499 -9.009 1
1 149 . 9 1 1 A 20 20 LYS H H 20 7.570 8.358 -0.788 1
1 150 . 9 1 1 A 20 20 LYS HA H 20 4.170 4.126 0.044 1
1 159 . 9 1 1 A 20 20 LYS CA C 20 52.100 57.451 -5.351 1
1 160 . 9 1 1 A 20 20 LYS CB C 20 29.850 33.264 -3.414 1
1 164 . 9 1 1 A 20 20 LYS N N 20 115.920 115.568 0.352 1
1 165 . 9 1 1 A 21 21 VAL H H 21 7.460 7.962 -0.502 1
1 166 . 9 1 1 A 21 21 VAL HA H 21 4.270 3.794 0.476 1
1 174 . 9 1 1 A 21 21 VAL CA C 21 60.730 62.841 -2.111 1
1 175 . 9 1 1 A 21 21 VAL CB C 21 29.340 31.602 -2.262 1
1 178 . 9 1 1 A 21 21 VAL N N 21 122.030 122.143 -0.113 1
1 179 . 9 1 1 A 22 22 ARG H H 22 7.840 8.432 -0.592 1
1 180 . 9 1 1 A 22 22 ARG HA H 22 5.100 5.198 -0.098 1
1 187 . 9 1 1 A 22 22 ARG CA C 22 51.230 54.084 -2.854 1
1 188 . 9 1 1 A 22 22 ARG CB C 22 31.930 33.867 -1.937 1
1 191 . 9 1 1 A 22 22 ARG N N 22 121.520 129.444 -7.924 1
1 192 . 9 1 1 A 23 23 ALA H H 23 8.920 8.820 0.100 1
1 193 . 9 1 1 A 23 23 ALA HA H 23 5.580 5.506 0.074 1
1 197 . 9 1 1 A 23 23 ALA CA C 23 47.810 51.403 -3.593 1
1 198 . 9 1 1 A 23 23 ALA CB C 23 21.660 21.770 -0.110 1
1 199 . 9 1 1 A 23 23 ALA N N 23 123.300 127.136 -3.836 1
1 200 . 9 1 1 A 24 24 GLY H H 24 8.450 8.568 -0.118 1
1 201 . 9 1 1 A 24 24 GLY HA2 H 24 4.200 4.280 -0.080 1
1 202 . 9 1 1 A 24 24 GLY HA3 H 24 4.160 4.283 -0.123 1
1 203 . 9 1 1 A 24 24 GLY CA C 24 43.560 45.014 -1.454 1
1 204 . 9 1 1 A 24 24 GLY N N 24 104.220 109.835 -5.615 1
1 205 . 9 1 1 A 25 25 GLY H H 25 8.770 8.454 0.316 1
1 206 . 9 1 1 A 25 25 GLY HA2 H 25 4.880 4.281 0.599 1
1 207 . 9 1 1 A 25 25 GLY HA3 H 25 4.050 4.382 -0.332 1
1 208 . 9 1 1 A 25 25 GLY CA C 25 42.110 46.017 -3.907 1
1 209 . 9 1 1 A 25 25 GLY N N 25 109.590 110.559 -0.969 1
1 210 . 9 1 1 A 26 26 THR H H 26 8.620 9.018 -0.398 1
1 211 . 9 1 1 A 26 26 THR HA H 26 4.030 4.093 -0.063 1
1 216 . 9 1 1 A 26 26 THR CA C 26 63.280 65.772 -2.492 1
1 217 . 9 1 1 A 26 26 THR CB C 26 65.990 68.655 -2.665 1
1 219 . 9 1 1 A 26 26 THR N N 26 113.050 112.755 0.295 1
1 220 . 9 1 1 A 27 27 GLY H H 27 9.040 8.484 0.556 1
1 221 . 9 1 1 A 27 27 GLY HA2 H 27 4.270 4.128 0.142 1
1 222 . 9 1 1 A 27 27 GLY HA3 H 27 3.390 4.338 -0.948 1
1 223 . 9 1 1 A 27 27 GLY CA C 27 44.250 46.652 -2.402 1
1 224 . 9 1 1 A 27 27 GLY N N 27 105.190 108.165 -2.975 1
1 225 . 9 1 1 A 28 28 LEU H H 28 7.450 7.578 -0.128 1
1 226 . 9 1 1 A 28 28 LEU HA H 28 4.210 4.364 -0.154 1
1 236 . 9 1 1 A 28 28 LEU CA C 28 51.150 55.293 -4.143 1
1 237 . 9 1 1 A 28 28 LEU CB C 28 37.670 42.218 -4.548 1
1 241 . 9 1 1 A 28 28 LEU N N 28 114.980 121.004 -6.024 1
1 242 . 9 1 1 A 29 29 GLU H H 29 7.980 8.017 -0.037 1
1 243 . 9 1 1 A 29 29 GLU HA H 29 4.540 4.314 0.226 1
1 248 . 9 1 1 A 29 29 GLU CA C 29 54.910 58.309 -3.399 1
1 249 . 9 1 1 A 29 29 GLU CB C 29 29.430 30.936 -1.506 1
1 251 . 9 1 1 A 29 29 GLU N N 29 117.810 116.845 0.965 1
1 252 . 9 1 1 A 30 30 ARG H H 30 8.340 7.278 1.062 1
1 253 . 9 1 1 A 30 30 ARG HA H 30 4.720 4.693 0.027 1
1 260 . 9 1 1 A 30 30 ARG CA C 30 53.350 55.093 -1.743 1
1 261 . 9 1 1 A 30 30 ARG CB C 30 29.440 31.965 -2.525 1
1 264 . 9 1 1 A 30 30 ARG N N 30 112.890 114.154 -1.264 1
1 265 . 9 1 1 A 31 31 GLY H H 31 8.100 7.983 0.117 1
1 266 . 9 1 1 A 31 31 GLY HA2 H 31 4.540 4.409 0.131 1
1 267 . 9 1 1 A 31 31 GLY HA3 H 31 3.610 4.437 -0.827 1
1 268 . 9 1 1 A 31 31 GLY CA C 31 41.630 45.252 -3.622 1
1 269 . 9 1 1 A 31 31 GLY N N 31 103.670 106.283 -2.613 1
1 270 . 9 1 1 A 32 32 VAL H H 32 9.410 8.532 0.878 1
1 271 . 9 1 1 A 32 32 VAL HA H 32 4.450 5.113 -0.663 1
1 279 . 9 1 1 A 32 32 VAL CA C 32 58.730 59.959 -1.229 1
1 280 . 9 1 1 A 32 32 VAL CB C 32 32.560 35.675 -3.115 1
1 283 . 9 1 1 A 32 32 VAL N N 32 122.160 120.485 1.675 1
1 284 . 9 1 1 A 33 33 ALA H H 33 8.560 8.517 0.043 1
1 285 . 9 1 1 A 33 33 ALA HA H 33 3.620 3.979 -0.359 1
1 289 . 9 1 1 A 33 33 ALA CA C 33 50.860 53.989 -3.129 1
1 290 . 9 1 1 A 33 33 ALA CB C 33 14.450 18.543 -4.093 1
1 291 . 9 1 1 A 33 33 ALA N N 33 129.490 128.905 0.585 1
1 292 . 9 1 1 A 34 34 GLY H H 34 8.590 8.791 -0.201 1
1 293 . 9 1 1 A 34 34 GLY HA2 H 34 4.320 3.878 0.442 1
1 294 . 9 1 1 A 34 34 GLY HA3 H 34 3.420 3.884 -0.464 1
1 295 . 9 1 1 A 34 34 GLY CA C 34 42.710 46.909 -4.199 1
1 296 . 9 1 1 A 34 34 GLY N N 34 106.900 111.631 -4.731 1
1 297 . 9 1 1 A 35 35 VAL H H 35 7.840 7.421 0.419 1
1 298 . 9 1 1 A 35 35 VAL HA H 35 4.450 4.370 0.080 1
1 306 . 9 1 1 A 35 35 VAL CA C 35 56.660 58.941 -2.281 1
1 307 . 9 1 1 A 35 35 VAL CB C 35 32.030 35.329 -3.299 1
1 310 . 9 1 1 A 35 35 VAL N N 35 121.520 119.616 1.904 1
1 311 . 9 1 1 A 36 36 PRO HA H 36 4.260 4.371 -0.111 1
1 318 . 9 1 1 A 36 36 PRO CA C 36 60.720 62.812 -2.092 1
1 319 . 9 1 1 A 36 36 PRO CB C 36 28.760 31.782 -3.022 1
1 322 . 9 1 1 A 37 37 ALA H H 37 8.920 7.941 0.979 1
1 323 . 9 1 1 A 37 37 ALA HA H 37 4.490 4.865 -0.375 1
1 327 . 9 1 1 A 37 37 ALA CA C 37 47.550 50.108 -2.558 1
1 328 . 9 1 1 A 37 37 ALA CB C 37 17.110 22.183 -5.073 1
1 329 . 9 1 1 A 37 37 ALA N N 37 129.160 125.930 3.230 1
1 330 . 9 1 1 A 38 38 GLU H H 38 8.470 8.835 -0.365 1
1 331 . 9 1 1 A 38 38 GLU HA H 38 4.330 5.402 -1.072 1
1 336 . 9 1 1 A 38 38 GLU CA C 38 52.150 55.618 -3.468 1
1 337 . 9 1 1 A 38 38 GLU CB C 38 31.010 33.654 -2.644 1
1 339 . 9 1 1 A 38 38 GLU N N 38 117.150 115.903 1.247 1
1 340 . 9 1 1 A 39 39 PHE H H 39 8.870 8.677 0.193 1
1 341 . 9 1 1 A 39 39 PHE HA H 39 4.520 5.281 -0.761 1
1 344 . 9 1 1 A 39 39 PHE CA C 39 54.670 56.155 -1.485 1
1 345 . 9 1 1 A 39 39 PHE CB C 39 37.170 41.056 -3.886 1
1 346 . 9 1 1 A 39 39 PHE N N 39 115.740 117.945 -2.205 1
1 347 . 9 1 1 A 40 40 SER H H 40 8.870 8.721 0.149 1
1 348 . 9 1 1 A 40 40 SER HA H 40 5.420 5.317 0.103 1
1 351 . 9 1 1 A 40 40 SER CA C 40 54.890 55.600 -0.710 1
1 352 . 9 1 1 A 40 40 SER CB C 40 63.790 65.757 -1.967 1
1 353 . 9 1 1 A 40 40 SER N N 40 113.140 113.548 -0.408 1
1 354 . 9 1 1 A 41 41 ILE H H 41 8.410 9.176 -0.766 1
1 355 . 9 1 1 A 41 41 ILE HA H 41 4.670 4.951 -0.281 1
1 365 . 9 1 1 A 41 41 ILE CA C 41 57.640 60.704 -3.064 1
1 366 . 9 1 1 A 41 41 ILE CB C 41 38.260 40.331 -2.071 1
1 370 . 9 1 1 A 41 41 ILE N N 41 118.020 122.490 -4.470 1
1 371 . 9 1 1 A 42 42 TRP H H 42 9.580 8.760 0.820 1
1 372 . 9 1 1 A 42 42 TRP HA H 42 4.870 5.246 -0.376 1
1 375 . 9 1 1 A 42 42 TRP CA C 42 56.240 56.045 0.195 1
1 376 . 9 1 1 A 42 42 TRP CB C 42 27.690 31.726 -4.036 1
1 377 . 9 1 1 A 42 42 TRP N N 42 126.430 130.677 -4.247 1
1 378 . 9 1 1 A 43 43 THR H H 43 8.370 7.176 1.194 1
1 379 . 9 1 1 A 43 43 THR HA H 43 3.800 4.526 -0.726 1
1 384 . 9 1 1 A 43 43 THR CA C 43 59.210 59.594 -0.384 1
1 385 . 9 1 1 A 43 43 THR CB C 43 67.070 71.511 -4.441 1
1 387 . 9 1 1 A 43 43 THR N N 43 112.460 114.166 -1.706 1
1 388 . 9 1 1 A 44 44 ARG HA H 44 3.910 4.197 -0.287 1
1 395 . 9 1 1 A 44 44 ARG CA C 44 57.190 58.294 -1.104 1
1 396 . 9 1 1 A 44 44 ARG CB C 44 27.710 30.902 -3.192 1
1 399 . 9 1 1 A 45 45 GLU H H 45 8.260 7.717 0.543 1
1 400 . 9 1 1 A 45 45 GLU HA H 45 4.160 4.453 -0.293 1
1 405 . 9 1 1 A 45 45 GLU CA C 45 54.510 55.870 -1.360 1
1 406 . 9 1 1 A 45 45 GLU CB C 45 27.510 29.650 -2.140 1
1 408 . 9 1 1 A 45 45 GLU N N 45 113.080 118.296 -5.216 1
1 409 . 9 1 1 A 46 46 ALA H H 46 7.550 8.248 -0.698 1
1 410 . 9 1 1 A 46 46 ALA HA H 46 3.870 4.175 -0.305 1
1 414 . 9 1 1 A 46 46 ALA CA C 46 50.350 54.463 -4.113 1
1 415 . 9 1 1 A 46 46 ALA CB C 46 18.120 19.644 -1.524 1
1 416 . 9 1 1 A 46 46 ALA N N 46 119.560 127.097 -7.537 1
1 417 . 9 1 1 A 47 47 GLY H H 47 7.450 7.342 0.108 1
1 418 . 9 1 1 A 47 47 GLY HA2 H 47 4.180 4.085 0.095 1
1 419 . 9 1 1 A 47 47 GLY HA3 H 47 3.630 4.112 -0.482 1
1 420 . 9 1 1 A 47 47 GLY CA C 47 41.940 45.183 -3.243 1
1 421 . 9 1 1 A 47 47 GLY N N 47 102.870 101.998 0.872 1
1 422 . 9 1 1 A 48 48 ALA H H 48 8.220 8.314 -0.094 1
1 423 . 9 1 1 A 48 48 ALA HA H 48 4.290 4.422 -0.132 1
1 427 . 9 1 1 A 48 48 ALA CA C 48 49.360 52.942 -3.582 1
1 428 . 9 1 1 A 48 48 ALA CB C 48 16.590 18.921 -2.331 1
1 429 . 9 1 1 A 48 48 ALA N N 48 120.390 123.445 -3.055 1
1 430 . 9 1 1 A 49 49 GLY H H 49 8.000 8.443 -0.443 1
1 431 . 9 1 1 A 49 49 GLY HA2 H 49 3.720 3.507 0.213 1
1 432 . 9 1 1 A 49 49 GLY HA3 H 49 3.720 4.120 -0.400 1
1 433 . 9 1 1 A 49 49 GLY CA C 49 43.000 45.832 -2.832 1
1 434 . 9 1 1 A 49 49 GLY N N 49 106.720 108.256 -1.536 1
1 435 . 9 1 1 A 50 50 GLY H H 50 7.580 7.890 -0.310 1
1 436 . 9 1 1 A 50 50 GLY N N 50 104.780 108.844 -4.064 1
1 437 . 9 1 1 A 51 51 LEU HA H 51 5.300 5.062 0.238 1
1 444 . 9 1 1 A 51 51 LEU CA C 51 50.270 54.019 -3.749 1
1 445 . 9 1 1 A 51 51 LEU CB C 51 42.930 43.474 -0.544 1
1 448 . 9 1 1 A 52 52 SER H H 52 9.110 8.335 0.775 1
1 449 . 9 1 1 A 52 52 SER HA H 52 5.180 4.861 0.319 1
1 452 . 9 1 1 A 52 52 SER CA C 52 53.700 58.719 -5.019 1
1 453 . 9 1 1 A 52 52 SER CB C 52 63.000 63.901 -0.901 1
1 454 . 9 1 1 A 52 52 SER N N 52 117.210 124.380 -7.170 1
1 455 . 9 1 1 A 53 53 ILE H H 53 8.330 8.737 -0.407 1
1 456 . 9 1 1 A 53 53 ILE HA H 53 4.930 4.984 -0.054 1
1 466 . 9 1 1 A 53 53 ILE CA C 53 57.220 60.496 -3.276 1
1 467 . 9 1 1 A 53 53 ILE CB C 53 37.710 40.756 -3.046 1
1 471 . 9 1 1 A 53 53 ILE N N 53 124.030 125.582 -1.552 1
1 472 . 9 1 1 A 54 54 ALA H H 54 8.920 8.677 0.243 1
1 473 . 9 1 1 A 54 54 ALA HA H 54 5.390 4.934 0.456 1
1 477 . 9 1 1 A 54 54 ALA CA C 54 47.440 50.510 -3.070 1
1 478 . 9 1 1 A 54 54 ALA CB C 54 19.810 20.363 -0.553 1
1 479 . 9 1 1 A 54 54 ALA N N 54 126.530 131.253 -4.723 1
1 480 . 9 1 1 A 55 55 VAL H H 55 9.010 8.718 0.292 1
1 481 . 9 1 1 A 55 55 VAL HA H 55 4.830 5.283 -0.453 1
1 489 . 9 1 1 A 55 55 VAL CA C 55 58.430 59.908 -1.478 1
1 490 . 9 1 1 A 55 55 VAL CB C 55 31.020 33.818 -2.798 1
1 493 . 9 1 1 A 55 55 VAL N N 55 119.590 118.861 0.729 1
1 494 . 9 1 1 A 56 56 GLU H H 56 9.270 8.855 0.415 1
1 495 . 9 1 1 A 56 56 GLU HA H 56 4.690 5.318 -0.628 1
1 500 . 9 1 1 A 56 56 GLU CA C 56 52.000 55.096 -3.096 1
1 501 . 9 1 1 A 56 56 GLU CB C 56 31.050 33.612 -2.562 1
1 503 . 9 1 1 A 56 56 GLU N N 56 127.360 124.929 2.431 1
1 504 . 9 1 1 A 57 57 GLY H H 57 8.620 8.260 0.360 1
1 505 . 9 1 1 A 57 57 GLY N N 57 108.540 111.816 -3.276 1
1 506 . 9 1 1 A 58 58 PRO HA H 58 4.480 4.349 0.131 1
1 513 . 9 1 1 A 58 58 PRO CA C 58 61.850 64.534 -2.684 1
1 514 . 9 1 1 A 58 58 PRO CB C 58 29.820 32.153 -2.333 1
1 517 . 9 1 1 A 59 59 SER H H 59 7.200 7.347 -0.147 1
1 518 . 9 1 1 A 59 59 SER HA H 59 4.620 4.916 -0.296 1
1 521 . 9 1 1 A 59 59 SER CA C 59 55.050 56.739 -1.689 1
1 522 . 9 1 1 A 59 59 SER CB C 59 63.650 66.106 -2.456 1
1 523 . 9 1 1 A 59 59 SER N N 59 106.970 111.208 -4.238 1
1 524 . 9 1 1 A 60 60 LYS H H 60 8.570 8.316 0.254 1
1 525 . 9 1 1 A 60 60 LYS HA H 60 4.000 4.697 -0.697 1
1 534 . 9 1 1 A 60 60 LYS CA C 60 54.090 56.475 -2.385 1
1 535 . 9 1 1 A 60 60 LYS CB C 60 30.480 33.444 -2.964 1
1 539 . 9 1 1 A 60 60 LYS N N 60 118.890 123.566 -4.676 1
1 540 . 9 1 1 A 61 61 ALA H H 61 8.830 8.941 -0.111 1
1 541 . 9 1 1 A 61 61 ALA HA H 61 4.930 5.008 -0.078 1
1 545 . 9 1 1 A 61 61 ALA CA C 61 47.980 51.648 -3.668 1
1 546 . 9 1 1 A 61 61 ALA CB C 61 17.500 19.996 -2.496 1
1 547 . 9 1 1 A 61 61 ALA N N 61 127.130 128.440 -1.310 1
1 548 . 9 1 1 A 62 62 GLU H H 62 8.440 8.198 0.242 1
1 549 . 9 1 1 A 62 62 GLU HA H 62 4.610 4.616 -0.006 1
1 554 . 9 1 1 A 62 62 GLU CA C 62 52.800 55.547 -2.747 1
1 555 . 9 1 1 A 62 62 GLU CB C 62 27.620 29.955 -2.335 1
1 557 . 9 1 1 A 62 62 GLU N N 62 121.980 121.500 0.480 1
1 558 . 9 1 1 A 63 63 ILE H H 63 8.710 8.662 0.048 1
1 559 . 9 1 1 A 63 63 ILE HA H 63 4.710 4.499 0.211 1
1 569 . 9 1 1 A 63 63 ILE CA C 63 58.480 62.245 -3.765 1
1 570 . 9 1 1 A 63 63 ILE CB C 63 37.820 38.612 -0.792 1
1 574 . 9 1 1 A 63 63 ILE N N 63 125.400 125.627 -0.227 1
1 575 . 9 1 1 A 64 64 ALA H H 64 9.350 8.582 0.768 1
1 576 . 9 1 1 A 64 64 ALA HA H 64 5.400 5.083 0.317 1
1 580 . 9 1 1 A 64 64 ALA CA C 64 47.440 50.953 -3.513 1
1 581 . 9 1 1 A 64 64 ALA CB C 64 19.750 24.127 -4.377 1
1 582 . 9 1 1 A 64 64 ALA N N 64 130.180 124.595 5.585 1
1 583 . 9 1 1 A 65 65 PHE H H 65 8.120 8.403 -0.283 1
1 584 . 9 1 1 A 65 65 PHE HA H 65 5.410 5.619 -0.209 1
1 587 . 9 1 1 A 65 65 PHE CA C 65 53.210 55.727 -2.517 1
1 588 . 9 1 1 A 65 65 PHE CB C 65 40.490 42.067 -1.577 1
1 589 . 9 1 1 A 65 65 PHE N N 65 115.800 114.994 0.806 1
1 590 . 9 1 1 A 66 66 GLU H H 66 8.360 8.889 -0.529 1
1 591 . 9 1 1 A 66 66 GLU HA H 66 4.700 4.782 -0.082 1
1 596 . 9 1 1 A 66 66 GLU CA C 66 52.100 55.050 -2.950 1
1 597 . 9 1 1 A 66 66 GLU CB C 66 30.280 33.536 -3.256 1
1 599 . 9 1 1 A 66 66 GLU N N 66 120.390 122.718 -2.328 1
1 600 . 9 1 1 A 67 67 ASP H H 67 8.880 8.904 -0.024 1
1 601 . 9 1 1 A 67 67 ASP HA H 67 5.120 4.735 0.385 1
1 604 . 9 1 1 A 67 67 ASP CA C 67 51.070 54.350 -3.280 1
1 605 . 9 1 1 A 67 67 ASP CB C 67 38.310 40.898 -2.588 1
1 606 . 9 1 1 A 67 67 ASP N N 67 124.860 126.282 -1.422 1
1 607 . 9 1 1 A 68 68 ARG H H 68 8.330 9.148 -0.818 1
1 608 . 9 1 1 A 68 68 ARG HA H 68 4.170 4.358 -0.188 1
1 613 . 9 1 1 A 68 68 ARG CA C 68 54.170 57.489 -3.319 1
1 614 . 9 1 1 A 68 68 ARG CB C 68 27.740 31.277 -3.537 1
1 615 . 9 1 1 A 68 68 ARG N N 68 125.010 123.729 1.281 1
1 616 . 9 1 1 A 69 69 LYS H H 69 7.980 7.667 0.313 1
1 617 . 9 1 1 A 69 69 LYS HA H 69 4.030 4.508 -0.478 1
1 626 . 9 1 1 A 69 69 LYS CA C 69 55.530 55.110 0.420 1
1 627 . 9 1 1 A 69 69 LYS CB C 69 26.220 33.283 -7.063 1
1 631 . 9 1 1 A 69 69 LYS N N 69 118.110 116.273 1.837 1
1 632 . 9 1 1 A 70 70 ASP H H 70 7.930 8.292 -0.362 1
1 633 . 9 1 1 A 70 70 ASP HA H 70 4.330 4.411 -0.081 1
1 636 . 9 1 1 A 70 70 ASP CA C 70 52.540 55.632 -3.092 1
1 637 . 9 1 1 A 70 70 ASP CB C 70 40.020 40.491 -0.471 1
1 638 . 9 1 1 A 70 70 ASP N N 70 116.380 117.517 -1.137 1
1 639 . 9 1 1 A 71 71 GLY H H 71 9.080 8.285 0.795 1
1 640 . 9 1 1 A 71 71 GLY HA2 H 71 4.200 4.064 0.136 1
1 641 . 9 1 1 A 71 71 GLY HA3 H 71 3.630 4.268 -0.638 1
1 642 . 9 1 1 A 71 71 GLY CA C 71 42.480 45.581 -3.101 1
1 643 . 9 1 1 A 71 71 GLY N N 71 108.240 106.849 1.391 1
1 644 . 9 1 1 A 72 72 SER H H 72 8.400 7.953 0.447 1
1 645 . 9 1 1 A 72 72 SER HA H 72 5.470 4.925 0.545 1
1 648 . 9 1 1 A 72 72 SER CA C 72 54.440 57.516 -3.076 1
1 649 . 9 1 1 A 72 72 SER CB C 72 65.130 64.783 0.347 1
1 650 . 9 1 1 A 72 72 SER N N 72 116.980 116.558 0.422 1
1 651 . 9 1 1 A 73 73 CYS H H 73 8.810 9.391 -0.581 1
1 652 . 9 1 1 A 73 73 CYS HA H 73 5.210 4.989 0.221 1
1 655 . 9 1 1 A 73 73 CYS CA C 73 53.240 57.747 -4.507 1
1 656 . 9 1 1 A 73 73 CYS CB C 73 28.520 29.626 -1.106 1
1 657 . 9 1 1 A 73 73 CYS N N 73 114.140 126.047 -11.907 1
1 658 . 9 1 1 A 74 74 GLY H H 74 8.880 8.794 0.086 1
1 659 . 9 1 1 A 74 74 GLY HA2 H 74 4.540 4.084 0.456 1
1 660 . 9 1 1 A 74 74 GLY HA3 H 74 3.610 4.137 -0.527 1
1 661 . 9 1 1 A 74 74 GLY CA C 74 41.630 44.608 -2.978 1
1 662 . 9 1 1 A 74 74 GLY N N 74 110.010 114.086 -4.076 1
1 663 . 9 1 1 A 75 75 VAL H H 75 8.480 8.655 -0.175 1
1 664 . 9 1 1 A 75 75 VAL HA H 75 4.550 4.903 -0.353 1
1 672 . 9 1 1 A 75 75 VAL CA C 75 57.860 60.863 -3.003 1
1 673 . 9 1 1 A 75 75 VAL CB C 75 30.530 32.889 -2.359 1
1 676 . 9 1 1 A 75 75 VAL N N 75 122.510 126.516 -4.006 1
1 677 . 9 1 1 A 76 76 SER H H 76 8.700 8.969 -0.269 1
1 678 . 9 1 1 A 76 76 SER HA H 76 5.540 5.625 -0.085 1
1 681 . 9 1 1 A 76 76 SER CA C 76 53.360 56.980 -3.620 1
1 682 . 9 1 1 A 76 76 SER CB C 76 63.190 64.740 -1.550 1
1 683 . 9 1 1 A 76 76 SER N N 76 118.910 121.452 -2.542 1
1 684 . 9 1 1 A 77 77 TYR H H 77 8.960 8.855 0.105 1
1 685 . 9 1 1 A 77 77 TYR HA H 77 4.420 6.108 -1.688 1
1 688 . 9 1 1 A 77 77 TYR CA C 77 52.780 55.467 -2.687 1
1 689 . 9 1 1 A 77 77 TYR CB C 77 39.950 41.711 -1.761 1
1 690 . 9 1 1 A 77 77 TYR N N 77 118.060 119.828 -1.768 1
1 691 . 9 1 1 A 78 78 VAL H H 78 8.160 9.038 -0.878 1
1 692 . 9 1 1 A 78 78 VAL HA H 78 4.320 4.690 -0.370 1
1 700 . 9 1 1 A 78 78 VAL CA C 78 57.510 60.273 -2.763 1
1 701 . 9 1 1 A 78 78 VAL CB C 78 32.620 34.150 -1.530 1
1 704 . 9 1 1 A 78 78 VAL N N 78 116.800 124.211 -7.411 1
1 705 . 9 1 1 A 79 79 VAL H H 79 8.730 8.503 0.227 1
1 706 . 9 1 1 A 79 79 VAL HA H 79 4.760 4.488 0.272 1
1 714 . 9 1 1 A 79 79 VAL CA C 79 55.750 60.333 -4.583 1
1 715 . 9 1 1 A 79 79 VAL CB C 79 30.530 34.214 -3.684 1
1 718 . 9 1 1 A 79 79 VAL N N 79 119.730 125.466 -5.736 1
1 719 . 9 1 1 A 80 80 GLN H H 80 8.030 9.255 -1.225 1
1 720 . 9 1 1 A 80 80 GLN HA H 80 4.240 4.444 -0.204 1
1 725 . 9 1 1 A 80 80 GLN CA C 80 53.910 57.137 -3.227 1
1 726 . 9 1 1 A 80 80 GLN CB C 80 27.130 30.286 -3.156 1
1 728 . 9 1 1 A 80 80 GLN N N 80 116.150 122.028 -5.878 1
1 729 . 9 1 1 A 81 81 GLU H H 81 7.070 8.148 -1.078 1
1 730 . 9 1 1 A 81 81 GLU HA H 81 5.010 4.785 0.225 1
1 735 . 9 1 1 A 81 81 GLU CA C 81 49.600 53.237 -3.637 1
1 736 . 9 1 1 A 81 81 GLU CB C 81 29.410 32.091 -2.681 1
1 738 . 9 1 1 A 81 81 GLU N N 81 113.990 116.237 -2.247 1
1 739 . 9 1 1 A 82 82 PRO HA H 82 5.040 4.406 0.634 1
1 746 . 9 1 1 A 82 82 PRO CA C 82 59.910 63.773 -3.863 1
1 747 . 9 1 1 A 82 82 PRO CB C 82 29.280 32.427 -3.147 1
1 750 . 9 1 1 A 83 83 GLY H H 83 8.840 7.846 0.994 1
1 751 . 9 1 1 A 83 83 GLY CA C 83 41.780 44.415 -2.635 1
1 752 . 9 1 1 A 83 83 GLY N N 83 104.910 107.434 -2.524 1
1 753 . 9 1 1 A 84 84 ASP H H 84 8.250 8.410 -0.160 1
1 754 . 9 1 1 A 84 84 ASP HA H 84 5.260 5.060 0.200 1
1 757 . 9 1 1 A 84 84 ASP CA C 84 51.540 53.113 -1.573 1
1 758 . 9 1 1 A 84 84 ASP CB C 84 38.700 40.580 -1.880 1
1 759 . 9 1 1 A 84 84 ASP N N 84 118.800 120.492 -1.692 1
1 760 . 9 1 1 A 85 85 TYR H H 85 8.810 8.444 0.366 1
1 761 . 9 1 1 A 85 85 TYR HA H 85 3.970 4.900 -0.930 1
1 764 . 9 1 1 A 85 85 TYR CA C 85 53.930 59.496 -5.566 1
1 765 . 9 1 1 A 85 85 TYR CB C 85 37.760 39.352 -1.592 1
1 766 . 9 1 1 A 85 85 TYR N N 85 121.630 124.459 -2.829 1
1 767 . 9 1 1 A 86 86 GLU H H 86 9.320 9.165 0.155 1
1 768 . 9 1 1 A 86 86 GLU HA H 86 5.260 4.614 0.646 1
1 773 . 9 1 1 A 86 86 GLU CA C 86 52.350 55.548 -3.198 1
1 774 . 9 1 1 A 86 86 GLU CB C 86 30.070 30.822 -0.752 1
1 776 . 9 1 1 A 86 86 GLU N N 86 120.420 122.457 -2.037 1
1 777 . 9 1 1 A 87 87 VAL H H 87 9.810 8.276 1.534 1
1 778 . 9 1 1 A 87 87 VAL HA H 87 4.990 5.175 -0.185 1
1 786 . 9 1 1 A 87 87 VAL CA C 87 58.590 59.274 -0.684 1
1 787 . 9 1 1 A 87 87 VAL CB C 87 30.210 34.438 -4.228 1
1 790 . 9 1 1 A 87 87 VAL N N 87 129.200 124.782 4.418 1
1 791 . 9 1 1 A 88 88 SER H H 88 9.560 8.826 0.734 1
1 792 . 9 1 1 A 88 88 SER HA H 88 5.170 5.264 -0.094 1
1 795 . 9 1 1 A 88 88 SER CA C 88 55.170 57.714 -2.544 1
1 796 . 9 1 1 A 88 88 SER CB C 88 62.790 65.195 -2.405 1
1 797 . 9 1 1 A 88 88 SER N N 88 121.730 123.630 -1.900 1
1 798 . 9 1 1 A 89 89 ILE H H 89 9.570 8.921 0.649 1
1 799 . 9 1 1 A 89 89 ILE HA H 89 4.920 5.384 -0.464 1
1 809 . 9 1 1 A 89 89 ILE CA C 89 57.020 59.333 -2.313 1
1 810 . 9 1 1 A 89 89 ILE CB C 89 38.120 39.849 -1.729 1
1 814 . 9 1 1 A 89 89 ILE N N 89 125.650 122.180 3.470 1
1 815 . 9 1 1 A 90 90 LYS H H 90 8.760 8.557 0.203 1
1 816 . 9 1 1 A 90 90 LYS HA H 90 5.130 5.392 -0.262 1
1 825 . 9 1 1 A 90 90 LYS CA C 90 50.980 54.862 -3.882 1
1 826 . 9 1 1 A 90 90 LYS CB C 90 33.850 36.048 -2.198 1
1 830 . 9 1 1 A 90 90 LYS N N 90 122.170 123.931 -1.761 1
1 831 . 9 1 1 A 91 91 PHE H H 91 9.040 8.476 0.564 1
1 832 . 9 1 1 A 91 91 PHE HA H 91 5.330 4.723 0.607 1
1 835 . 9 1 1 A 91 91 PHE CA C 91 53.190 57.264 -4.074 1
1 836 . 9 1 1 A 91 91 PHE CB C 91 40.200 39.542 0.658 1
1 837 . 9 1 1 A 91 91 PHE N N 91 120.990 124.758 -3.768 1
1 838 . 9 1 1 A 92 92 ASN H H 92 9.210 9.281 -0.071 1
1 839 . 9 1 1 A 92 92 ASN HA H 92 4.220 4.227 -0.007 1
1 842 . 9 1 1 A 92 92 ASN CA C 92 51.480 54.056 -2.576 1
1 843 . 9 1 1 A 92 92 ASN CB C 92 33.610 36.966 -3.356 1
1 844 . 9 1 1 A 92 92 ASN N N 92 127.010 125.160 1.850 1
1 845 . 9 1 1 A 93 93 ASP H H 93 8.760 8.519 0.241 1
1 846 . 9 1 1 A 93 93 ASP HA H 93 3.970 4.320 -0.350 1
1 849 . 9 1 1 A 93 93 ASP CA C 93 53.920 56.076 -2.156 1
1 850 . 9 1 1 A 93 93 ASP CB C 93 38.060 39.288 -1.228 1
1 851 . 9 1 1 A 93 93 ASP N N 93 107.220 111.053 -3.833 1
1 852 . 9 1 1 A 94 94 GLU H H 94 7.500 7.955 -0.455 1
1 853 . 9 1 1 A 94 94 GLU HA H 94 4.700 4.340 0.360 1
1 857 . 9 1 1 A 94 94 GLU CA C 94 51.940 54.961 -3.021 1
1 858 . 9 1 1 A 94 94 GLU CB C 94 29.680 29.222 0.458 1
1 860 . 9 1 1 A 94 94 GLU N N 94 117.830 118.634 -0.804 1
1 861 . 9 1 1 A 95 95 HIS H H 95 8.770 7.857 0.913 1
1 862 . 9 1 1 A 95 95 HIS HA H 95 4.480 4.699 -0.219 1
1 865 . 9 1 1 A 95 95 HIS CA C 95 56.530 55.468 1.062 1
1 866 . 9 1 1 A 95 95 HIS CB C 95 29.690 29.448 0.242 1
1 867 . 9 1 1 A 95 95 HIS N N 95 121.910 123.508 -1.598 1
1 868 . 9 1 1 A 96 96 ILE H H 96 8.110 8.056 0.054 1
1 869 . 9 1 1 A 96 96 ILE HA H 96 4.310 4.387 -0.077 1
1 871 . 9 1 1 A 96 96 ILE CA C 96 57.520 60.088 -2.568 1
1 872 . 9 1 1 A 96 96 ILE CB C 96 32.720 37.763 -5.043 1
1 873 . 9 1 1 A 96 96 ILE N N 96 116.370 122.231 -5.861 1
1 874 . 9 1 1 A 97 97 PRO CA C 97 63.500 62.448 1.052 1
1 875 . 9 1 1 A 97 97 PRO CB C 97 28.690 29.262 -0.572 1
1 878 . 9 1 1 A 98 98 ASP H H 98 7.940 9.563 -1.623 1
1 879 . 9 1 1 A 98 98 ASP HA H 98 5.010 4.725 0.285 1
1 882 . 9 1 1 A 98 98 ASP CA C 98 54.510 55.054 -0.544 1
1 883 . 9 1 1 A 98 98 ASP CB C 98 37.760 43.462 -5.702 1
1 884 . 9 1 1 A 98 98 ASP N N 98 113.440 121.701 -8.261 1
1 885 . 9 1 1 A 99 99 SER H H 99 7.470 7.314 0.156 1
1 886 . 9 1 1 A 99 99 SER HA H 99 4.230 4.867 -0.637 1
1 889 . 9 1 1 A 99 99 SER CA C 99 52.370 56.899 -4.529 1
1 890 . 9 1 1 A 99 99 SER CB C 99 60.430 63.122 -2.692 1
1 891 . 9 1 1 A 99 99 SER N N 99 110.680 112.197 -1.517 1
1 892 . 9 1 1 A 100 100 PRO HA H 100 4.550 5.140 -0.590 1
1 899 . 9 1 1 A 100 100 PRO CA C 100 59.920 62.318 -2.398 1
1 900 . 9 1 1 A 100 100 PRO CB C 100 31.880 31.821 0.059 1
1 903 . 9 1 1 A 101 101 PHE H H 101 9.270 8.356 0.914 1
1 904 . 9 1 1 A 101 101 PHE HA H 101 4.560 5.376 -0.816 1
1 907 . 9 1 1 A 101 101 PHE CA C 101 54.060 55.285 -1.225 1
1 908 . 9 1 1 A 101 101 PHE CB C 101 37.930 42.123 -4.193 1
1 909 . 9 1 1 A 101 101 PHE N N 101 119.180 118.831 0.349 1
1 910 . 9 1 1 A 102 102 VAL H H 102 8.760 8.595 0.165 1
1 911 . 9 1 1 A 102 102 VAL HA H 102 4.580 4.678 -0.098 1
1 919 . 9 1 1 A 102 102 VAL CA C 102 60.400 61.099 -0.699 1
1 920 . 9 1 1 A 102 102 VAL CB C 102 28.970 33.315 -4.345 1
1 923 . 9 1 1 A 102 102 VAL N N 102 123.120 120.582 2.538 1
1 924 . 9 1 1 A 103 103 VAL H H 103 9.520 9.680 -0.160 1
1 925 . 9 1 1 A 103 103 VAL HA H 103 4.390 4.745 -0.355 1
1 933 . 9 1 1 A 103 103 VAL CA C 103 57.200 59.270 -2.070 1
1 934 . 9 1 1 A 103 103 VAL CB C 103 32.060 32.801 -0.741 1
1 937 . 9 1 1 A 103 103 VAL N N 103 130.330 128.265 2.065 1
1 938 . 9 1 1 A 104 104 PRO HA H 104 4.370 4.694 -0.324 1
1 941 . 9 1 1 A 104 104 PRO CA C 104 60.240 62.814 -2.574 1
1 942 . 9 1 1 A 104 104 PRO CB C 104 29.660 31.861 -2.201 1
1 945 . 9 1 1 A 105 105 VAL H H 105 9.300 8.454 0.846 1
1 946 . 9 1 1 A 105 105 VAL HA H 105 4.300 4.806 -0.506 1
1 954 . 9 1 1 A 105 105 VAL CA C 105 59.210 61.586 -2.376 1
1 955 . 9 1 1 A 105 105 VAL CB C 105 28.840 33.205 -4.365 1
1 958 . 9 1 1 A 105 105 VAL N N 105 126.320 124.512 1.808 1
1 959 . 9 1 1 A 106 106 ALA H H 106 8.360 9.225 -0.865 1
1 960 . 9 1 1 A 106 106 ALA HA H 106 4.660 5.222 -0.562 1
1 964 . 9 1 1 A 106 106 ALA CA C 106 48.340 50.588 -2.248 1
1 965 . 9 1 1 A 106 106 ALA CB C 106 18.960 22.938 -3.978 1
1 966 . 9 1 1 A 106 106 ALA N N 106 130.550 128.555 1.995 1
1 967 . 9 1 1 A 107 107 SER H H 107 8.590 8.791 -0.201 1
1 968 . 9 1 1 A 107 107 SER HA H 107 4.490 4.639 -0.149 1
1 971 . 9 1 1 A 107 107 SER CA C 107 55.570 56.985 -1.415 1
1 972 . 9 1 1 A 107 107 SER CB C 107 61.760 62.476 -0.716 1
1 973 . 9 1 1 A 107 107 SER N N 107 112.340 118.889 -6.549 1
1 974 . 9 1 1 A 108 108 LEU H H 108 8.660 8.159 0.501 1
1 975 . 9 1 1 A 108 108 LEU HA H 108 4.300 4.076 0.224 1
1 985 . 9 1 1 A 108 108 LEU CA C 108 53.250 56.548 -3.298 1
1 986 . 9 1 1 A 108 108 LEU CB C 108 39.650 41.744 -2.094 1
1 990 . 9 1 1 A 108 108 LEU N N 108 123.200 127.952 -4.752 1
1 991 . 9 1 1 A 109 109 SER H H 109 8.210 8.116 0.094 1
1 992 . 9 1 1 A 109 109 SER HA H 109 4.370 4.456 -0.086 1
1 995 . 9 1 1 A 109 109 SER CA C 109 55.810 60.079 -4.269 1
1 996 . 9 1 1 A 109 109 SER CB C 109 61.240 63.730 -2.490 1
1 997 . 9 1 1 A 109 109 SER N N 109 114.710 115.621 -0.911 1
1 998 . 9 1 1 A 110 110 ASP H H 110 8.240 8.060 0.180 1
1 999 . 9 1 1 A 110 110 ASP HA H 110 4.500 4.373 0.127 1
1 1002 . 9 1 1 A 110 110 ASP CA C 110 52.740 55.695 -2.955 1
1 1003 . 9 1 1 A 110 110 ASP CB C 110 38.260 39.516 -1.256 1
1 1004 . 9 1 1 A 110 110 ASP N N 110 121.030 119.071 1.959 1
1 1005 . 9 1 1 A 111 111 ASP H H 111 8.210 8.403 -0.193 1
1 1006 . 9 1 1 A 111 111 ASP HA H 111 4.500 4.788 -0.288 1
1 1009 . 9 1 1 A 111 111 ASP CA C 111 52.770 54.007 -1.237 1
1 1010 . 9 1 1 A 111 111 ASP CB C 111 38.290 43.485 -5.195 1
1 1011 . 9 1 1 A 111 111 ASP N N 111 118.910 117.324 1.586 1
1 1012 . 9 1 1 A 112 112 ALA H H 112 8.050 8.523 -0.473 1
1 1013 . 9 1 1 A 112 112 ALA HA H 112 4.170 3.954 0.216 1
1 1017 . 9 1 1 A 112 112 ALA CA C 112 50.710 52.938 -2.228 1
1 1018 . 9 1 1 A 112 112 ALA CB C 112 16.110 17.618 -1.508 1
1 1019 . 9 1 1 A 112 112 ALA N N 112 121.600 121.526 0.074 1
1 1020 . 9 1 1 A 113 113 ARG H H 113 7.960 8.027 -0.067 1
1 1021 . 9 1 1 A 113 113 ARG HA H 113 4.030 4.440 -0.410 1
1 1027 . 9 1 1 A 113 113 ARG CA C 113 55.200 55.795 -0.595 1
1 1028 . 9 1 1 A 113 113 ARG CB C 113 27.730 31.626 -3.896 1
1 1031 . 9 1 1 A 113 113 ARG N N 113 116.640 118.532 -1.892 1
1 1032 . 9 1 1 A 114 114 ARG H H 114 7.930 8.644 -0.714 1
1 1033 . 9 1 1 A 114 114 ARG HA H 114 4.000 4.594 -0.594 1
1 1040 . 9 1 1 A 114 114 ARG CA C 114 53.940 55.872 -1.932 1
1 1041 . 9 1 1 A 114 114 ARG CB C 114 30.550 32.295 -1.745 1
1 1044 . 9 1 1 A 114 114 ARG N N 114 116.380 121.665 -5.285 1
1 1045 . 9 1 1 A 115 115 LEU H H 115 8.000 7.917 0.083 1
1 1046 . 9 1 1 A 115 115 LEU HA H 115 4.320 4.417 -0.097 1
1 1056 . 9 1 1 A 115 115 LEU CA C 115 52.870 55.829 -2.959 1
1 1057 . 9 1 1 A 115 115 LEU CB C 115 39.640 44.190 -4.550 1
1 1061 . 9 1 1 A 115 115 LEU N N 115 120.260 119.085 1.175 1
1 1062 . 9 1 1 A 116 116 THR H H 116 7.970 7.720 0.250 1
1 1063 . 9 1 1 A 116 116 THR HA H 116 4.390 4.471 -0.081 1
1 1068 . 9 1 1 A 116 116 THR CA C 116 59.270 62.814 -3.544 1
1 1069 . 9 1 1 A 116 116 THR CB C 116 67.420 69.622 -2.202 1
1 1071 . 9 1 1 A 116 116 THR N N 116 113.250 110.118 3.132 1
1 1072 . 9 1 1 A 117 117 VAL H H 117 8.070 8.108 -0.038 1
1 1073 . 9 1 1 A 117 117 VAL HA H 117 4.330 3.948 0.382 1
1 1078 . 9 1 1 A 117 117 VAL CA C 117 60.230 65.385 -5.155 1
1 1079 . 9 1 1 A 117 117 VAL CB C 117 30.360 31.800 -1.440 1
1 1081 . 9 1 1 A 117 117 VAL N N 117 120.990 122.564 -1.574 1
1 1082 . 9 1 1 A 118 118 THR H H 118 8.210 8.056 0.154 1
1 1083 . 9 1 1 A 118 118 THR HA H 118 4.380 3.944 0.436 1
1 1088 . 9 1 1 A 118 118 THR CA C 118 58.770 63.119 -4.349 1
1 1089 . 9 1 1 A 118 118 THR CB C 118 67.420 67.666 -0.246 1
1 1091 . 9 1 1 A 118 118 THR N N 118 116.420 116.361 0.059 1
1 1098 . 9 2 2 B 6 6 GLU H H 6 8.780 8.676 0.104 1
1 1099 . 9 2 2 B 6 6 GLU HA H 6 4.160 4.716 -0.556 1
1 1104 . 9 2 2 B 8 8 ARG H H 8 8.200 8.638 -0.438 1
1 1105 . 9 2 2 B 8 8 ARG HA H 8 4.210 4.505 -0.295 1
1 1111 . 9 2 2 B 9 9 VAL H H 9 9.000 8.424 0.576 1
1 1112 . 9 2 2 B 9 9 VAL HA H 9 4.070 4.076 -0.006 1
1 1123 . 9 2 2 B 11 11 SER H H 11 8.490 8.796 -0.306 1
1 1126 . 9 2 2 B 12 12 SER HA H 12 4.410 5.421 -1.011 1
1 1129 . 9 2 2 B 13 13 VAL H H 13 8.800 8.694 0.106 1
1 1130 . 9 2 2 B 13 13 VAL HA H 13 4.010 4.845 -0.835 1
1 1138 . 9 2 2 B 14 14 PHE HA H 14 4.620 5.114 -0.494 1
1 1143 . 9 2 2 B 15 15 ILE H H 15 8.710 8.885 -0.175 1
1 1144 . 9 2 2 B 15 15 ILE HA H 15 4.140 4.703 -0.563 1
1 1154 . 9 2 2 B 16 16 THR HA H 16 4.220 5.116 -0.896 1
1 1159 . 9 2 2 B 17 17 LEU H H 17 8.270 8.747 -0.477 1
1 1160 . 9 2 2 B 17 17 LEU HA H 17 4.130 5.306 -1.176 1
1 1170 . 9 2 2 B 18 18 ALA HA H 18 4.500 4.890 -0.390 1
1 4 . 10 1 1 A 2 2 ILE H H 2 8.800 7.541 1.259 1
1 5 . 10 1 1 A 2 2 ILE N N 2 126.630 114.543 12.087 1
1 6 . 10 1 1 A 3 3 PRO HA H 3 4.360 4.305 0.055 1
1 13 . 10 1 1 A 3 3 PRO CA C 3 60.670 66.147 -5.477 1
1 14 . 10 1 1 A 3 3 PRO CB C 3 29.390 31.250 -1.860 1
1 17 . 10 1 1 A 4 4 GLU H H 4 8.270 8.185 0.085 1
1 18 . 10 1 1 A 4 4 GLU HA H 4 4.360 4.156 0.204 1
1 23 . 10 1 1 A 4 4 GLU CA C 4 53.690 58.100 -4.410 1
1 24 . 10 1 1 A 4 4 GLU CB C 4 29.430 29.474 -0.044 1
1 26 . 10 1 1 A 4 4 GLU N N 4 119.290 118.225 1.065 1
1 27 . 10 1 1 A 5 5 PHE H H 5 8.810 8.113 0.697 1
1 28 . 10 1 1 A 5 5 PHE N N 5 126.600 115.530 11.070 1
1 29 . 10 1 1 A 6 6 PHE H H 6 8.070 8.428 -0.358 1
1 30 . 10 1 1 A 6 6 PHE HA H 6 4.650 4.461 0.189 1
1 33 . 10 1 1 A 6 6 PHE CA C 6 54.920 58.925 -4.005 1
1 34 . 10 1 1 A 6 6 PHE CB C 6 37.190 39.289 -2.099 1
1 35 . 10 1 1 A 6 6 PHE N N 6 120.380 118.788 1.592 1
1 36 . 10 1 1 A 7 7 GLN H H 7 7.980 9.113 -1.133 1
1 37 . 10 1 1 A 7 7 GLN HA H 7 4.430 4.127 0.303 1
1 42 . 10 1 1 A 7 7 GLN CA C 7 54.860 57.248 -2.388 1
1 43 . 10 1 1 A 7 7 GLN CB C 7 26.570 28.469 -1.899 1
1 45 . 10 1 1 A 7 7 GLN N N 7 119.930 119.286 0.644 1
1 46 . 10 1 1 A 8 8 PHE H H 8 8.030 8.104 -0.074 1
1 47 . 10 1 1 A 8 8 PHE HA H 8 4.630 4.850 -0.220 1
1 50 . 10 1 1 A 8 8 PHE CA C 8 55.020 59.128 -4.108 1
1 51 . 10 1 1 A 8 8 PHE CB C 8 36.840 41.795 -4.955 1
1 52 . 10 1 1 A 8 8 PHE N N 8 119.560 119.446 0.114 1
1 53 . 10 1 1 A 9 9 THR H H 9 8.040 8.143 -0.103 1
1 54 . 10 1 1 A 9 9 THR HA H 9 4.300 4.410 -0.110 1
1 59 . 10 1 1 A 9 9 THR CA C 9 59.410 62.516 -3.106 1
1 60 . 10 1 1 A 9 9 THR CB C 9 67.440 68.827 -1.387 1
1 62 . 10 1 1 A 9 9 THR N N 9 114.650 112.740 1.910 1
1 63 . 10 1 1 A 10 10 VAL H H 10 8.070 7.934 0.136 1
1 64 . 10 1 1 A 10 10 VAL HA H 10 4.210 3.816 0.394 1
1 72 . 10 1 1 A 10 10 VAL CA C 10 59.470 64.798 -5.328 1
1 73 . 10 1 1 A 10 10 VAL CB C 10 30.180 32.416 -2.236 1
1 75 . 10 1 1 A 10 10 VAL N N 10 120.380 121.873 -1.493 1
1 76 . 10 1 1 A 11 11 GLY H H 11 8.200 7.576 0.624 1
1 77 . 10 1 1 A 11 11 GLY HA2 H 11 4.090 3.997 0.093 1
1 78 . 10 1 1 A 11 11 GLY HA3 H 11 4.000 4.003 -0.003 1
1 79 . 10 1 1 A 11 11 GLY CA C 11 41.420 45.575 -4.155 1
1 80 . 10 1 1 A 11 11 GLY N N 11 110.910 109.233 1.677 1
1 81 . 10 1 1 A 12 12 PRO HA H 12 4.360 4.563 -0.203 1
1 88 . 10 1 1 A 12 12 PRO CA C 12 60.590 63.036 -2.446 1
1 89 . 10 1 1 A 12 12 PRO CB C 12 33.600 30.679 2.921 1
1 92 . 10 1 1 A 13 13 LEU H H 13 8.360 9.352 -0.992 1
1 93 . 10 1 1 A 13 13 LEU HA H 13 4.340 3.744 0.596 1
1 103 . 10 1 1 A 13 13 LEU CA C 13 52.800 55.423 -2.623 1
1 104 . 10 1 1 A 13 13 LEU CB C 13 39.650 39.535 0.115 1
1 108 . 10 1 1 A 13 13 LEU N N 13 120.390 119.218 1.172 1
1 109 . 10 1 1 A 14 14 GLY H H 14 8.240 8.304 -0.064 1
1 110 . 10 1 1 A 14 14 GLY HA2 H 14 3.960 3.893 0.067 1
1 111 . 10 1 1 A 14 14 GLY HA3 H 14 3.660 3.909 -0.249 1
1 112 . 10 1 1 A 14 14 GLY CA C 14 40.240 45.297 -5.057 1
1 113 . 10 1 1 A 14 14 GLY N N 14 107.860 108.588 -0.728 1
1 114 . 10 1 1 A 15 15 GLU H H 15 8.250 9.222 -0.972 1
1 115 . 10 1 1 A 15 15 GLU HA H 15 4.360 4.008 0.352 1
1 120 . 10 1 1 A 15 15 GLU CA C 15 53.920 57.629 -3.709 1
1 121 . 10 1 1 A 15 15 GLU CB C 15 27.800 28.830 -1.030 1
1 123 . 10 1 1 A 15 15 GLU N N 15 118.800 119.236 -0.436 1
1 124 . 10 1 1 A 16 16 GLY H H 16 8.460 8.580 -0.120 1
1 125 . 10 1 1 A 16 16 GLY HA2 H 16 3.960 4.054 -0.094 1
1 126 . 10 1 1 A 16 16 GLY HA3 H 16 3.880 4.063 -0.183 1
1 127 . 10 1 1 A 16 16 GLY CA C 16 42.490 44.880 -2.390 1
1 128 . 10 1 1 A 16 16 GLY N N 16 108.190 107.301 0.889 1
1 129 . 10 1 1 A 17 17 GLY H H 17 8.300 8.583 -0.283 1
1 130 . 10 1 1 A 17 17 GLY HA2 H 17 4.430 4.075 0.355 1
1 131 . 10 1 1 A 17 17 GLY HA3 H 17 3.780 4.259 -0.479 1
1 132 . 10 1 1 A 17 17 GLY CA C 17 42.550 45.721 -3.171 1
1 133 . 10 1 1 A 17 17 GLY N N 17 105.790 114.230 -8.440 1
1 134 . 10 1 1 A 18 18 ALA H H 18 8.800 8.441 0.359 1
1 135 . 10 1 1 A 18 18 ALA HA H 18 3.760 4.140 -0.380 1
1 139 . 10 1 1 A 18 18 ALA CA C 18 52.780 53.824 -1.044 1
1 140 . 10 1 1 A 18 18 ALA CB C 18 16.810 18.442 -1.632 1
1 141 . 10 1 1 A 18 18 ALA N N 18 120.770 124.326 -3.556 1
1 142 . 10 1 1 A 19 19 HIS H H 19 8.230 8.062 0.168 1
1 143 . 10 1 1 A 19 19 HIS HA H 19 4.410 4.368 0.042 1
1 146 . 10 1 1 A 19 19 HIS CA C 19 54.740 57.567 -2.827 1
1 147 . 10 1 1 A 19 19 HIS CB C 19 26.240 30.635 -4.395 1
1 148 . 10 1 1 A 19 19 HIS N N 19 109.490 118.312 -8.822 1
1 149 . 10 1 1 A 20 20 LYS H H 20 7.570 8.624 -1.054 1
1 150 . 10 1 1 A 20 20 LYS HA H 20 4.170 4.009 0.161 1
1 159 . 10 1 1 A 20 20 LYS CA C 20 52.100 55.864 -3.764 1
1 160 . 10 1 1 A 20 20 LYS CB C 20 29.850 33.606 -3.756 1
1 164 . 10 1 1 A 20 20 LYS N N 20 115.920 113.117 2.803 1
1 165 . 10 1 1 A 21 21 VAL H H 21 7.460 7.063 0.397 1
1 166 . 10 1 1 A 21 21 VAL HA H 21 4.270 3.888 0.382 1
1 174 . 10 1 1 A 21 21 VAL CA C 21 60.730 61.900 -1.170 1
1 175 . 10 1 1 A 21 21 VAL CB C 21 29.340 31.862 -2.522 1
1 178 . 10 1 1 A 21 21 VAL N N 21 122.030 121.493 0.537 1
1 179 . 10 1 1 A 22 22 ARG H H 22 7.840 9.130 -1.290 1
1 180 . 10 1 1 A 22 22 ARG HA H 22 5.100 5.115 -0.015 1
1 187 . 10 1 1 A 22 22 ARG CA C 22 51.230 54.101 -2.871 1
1 188 . 10 1 1 A 22 22 ARG CB C 22 31.930 33.298 -1.368 1
1 191 . 10 1 1 A 22 22 ARG N N 22 121.520 129.701 -8.181 1
1 192 . 10 1 1 A 23 23 ALA H H 23 8.920 8.792 0.128 1
1 193 . 10 1 1 A 23 23 ALA HA H 23 5.580 5.563 0.017 1
1 197 . 10 1 1 A 23 23 ALA CA C 23 47.810 51.416 -3.606 1
1 198 . 10 1 1 A 23 23 ALA CB C 23 21.660 21.601 0.059 1
1 199 . 10 1 1 A 23 23 ALA N N 23 123.300 127.264 -3.964 1
1 200 . 10 1 1 A 24 24 GLY H H 24 8.450 8.300 0.150 1
1 201 . 10 1 1 A 24 24 GLY HA2 H 24 4.200 4.342 -0.142 1
1 202 . 10 1 1 A 24 24 GLY HA3 H 24 4.160 4.357 -0.197 1
1 203 . 10 1 1 A 24 24 GLY CA C 24 43.560 45.063 -1.503 1
1 204 . 10 1 1 A 24 24 GLY N N 24 104.220 109.556 -5.336 1
1 205 . 10 1 1 A 25 25 GLY H H 25 8.770 8.446 0.324 1
1 206 . 10 1 1 A 25 25 GLY HA2 H 25 4.880 4.332 0.548 1
1 207 . 10 1 1 A 25 25 GLY HA3 H 25 4.050 4.430 -0.380 1
1 208 . 10 1 1 A 25 25 GLY CA C 25 42.110 46.041 -3.931 1
1 209 . 10 1 1 A 25 25 GLY N N 25 109.590 110.301 -0.711 1
1 210 . 10 1 1 A 26 26 THR H H 26 8.620 8.781 -0.161 1
1 211 . 10 1 1 A 26 26 THR HA H 26 4.030 4.118 -0.088 1
1 216 . 10 1 1 A 26 26 THR CA C 26 63.280 65.168 -1.888 1
1 217 . 10 1 1 A 26 26 THR CB C 26 65.990 68.949 -2.959 1
1 219 . 10 1 1 A 26 26 THR N N 26 113.050 113.011 0.039 1
1 220 . 10 1 1 A 27 27 GLY H H 27 9.040 8.314 0.726 1
1 221 . 10 1 1 A 27 27 GLY HA2 H 27 4.270 4.133 0.137 1
1 222 . 10 1 1 A 27 27 GLY HA3 H 27 3.390 4.333 -0.943 1
1 223 . 10 1 1 A 27 27 GLY CA C 27 44.250 46.565 -2.315 1
1 224 . 10 1 1 A 27 27 GLY N N 27 105.190 111.304 -6.114 1
1 225 . 10 1 1 A 28 28 LEU H H 28 7.450 8.014 -0.564 1
1 226 . 10 1 1 A 28 28 LEU HA H 28 4.210 4.296 -0.086 1
1 236 . 10 1 1 A 28 28 LEU CA C 28 51.150 54.513 -3.363 1
1 237 . 10 1 1 A 28 28 LEU CB C 28 37.670 41.532 -3.862 1
1 241 . 10 1 1 A 28 28 LEU N N 28 114.980 120.434 -5.454 1
1 242 . 10 1 1 A 29 29 GLU H H 29 7.980 7.628 0.352 1
1 243 . 10 1 1 A 29 29 GLU HA H 29 4.540 4.567 -0.027 1
1 248 . 10 1 1 A 29 29 GLU CA C 29 54.910 57.297 -2.387 1
1 249 . 10 1 1 A 29 29 GLU CB C 29 29.430 32.230 -2.800 1
1 251 . 10 1 1 A 29 29 GLU N N 29 117.810 117.542 0.268 1
1 252 . 10 1 1 A 30 30 ARG H H 30 8.340 7.274 1.066 1
1 253 . 10 1 1 A 30 30 ARG HA H 30 4.720 4.935 -0.215 1
1 260 . 10 1 1 A 30 30 ARG CA C 30 53.350 54.620 -1.270 1
1 261 . 10 1 1 A 30 30 ARG CB C 30 29.440 35.163 -5.723 1
1 264 . 10 1 1 A 30 30 ARG N N 30 112.890 117.827 -4.937 1
1 265 . 10 1 1 A 31 31 GLY H H 31 8.100 7.980 0.120 1
1 266 . 10 1 1 A 31 31 GLY HA2 H 31 4.540 4.377 0.163 1
1 267 . 10 1 1 A 31 31 GLY HA3 H 31 3.610 4.387 -0.777 1
1 268 . 10 1 1 A 31 31 GLY CA C 31 41.630 45.108 -3.478 1
1 269 . 10 1 1 A 31 31 GLY N N 31 103.670 108.447 -4.777 1
1 270 . 10 1 1 A 32 32 VAL H H 32 9.410 8.540 0.870 1
1 271 . 10 1 1 A 32 32 VAL HA H 32 4.450 5.142 -0.692 1
1 279 . 10 1 1 A 32 32 VAL CA C 32 58.730 59.941 -1.211 1
1 280 . 10 1 1 A 32 32 VAL CB C 32 32.560 35.755 -3.195 1
1 283 . 10 1 1 A 32 32 VAL N N 32 122.160 120.506 1.654 1
1 284 . 10 1 1 A 33 33 ALA H H 33 8.560 8.507 0.053 1
1 285 . 10 1 1 A 33 33 ALA HA H 33 3.620 3.965 -0.345 1
1 289 . 10 1 1 A 33 33 ALA CA C 33 50.860 53.948 -3.088 1
1 290 . 10 1 1 A 33 33 ALA CB C 33 14.450 18.519 -4.069 1
1 291 . 10 1 1 A 33 33 ALA N N 33 129.490 129.339 0.151 1
1 292 . 10 1 1 A 34 34 GLY H H 34 8.590 8.786 -0.196 1
1 293 . 10 1 1 A 34 34 GLY HA2 H 34 4.320 3.875 0.445 1
1 294 . 10 1 1 A 34 34 GLY HA3 H 34 3.420 3.883 -0.463 1
1 295 . 10 1 1 A 34 34 GLY CA C 34 42.710 46.901 -4.191 1
1 296 . 10 1 1 A 34 34 GLY N N 34 106.900 111.595 -4.695 1
1 297 . 10 1 1 A 35 35 VAL H H 35 7.840 7.372 0.468 1
1 298 . 10 1 1 A 35 35 VAL HA H 35 4.450 4.358 0.092 1
1 306 . 10 1 1 A 35 35 VAL CA C 35 56.660 58.932 -2.272 1
1 307 . 10 1 1 A 35 35 VAL CB C 35 32.030 35.237 -3.207 1
1 310 . 10 1 1 A 35 35 VAL N N 35 121.520 119.599 1.921 1
1 311 . 10 1 1 A 36 36 PRO HA H 36 4.260 4.405 -0.145 1
1 318 . 10 1 1 A 36 36 PRO CA C 36 60.720 62.715 -1.995 1
1 319 . 10 1 1 A 36 36 PRO CB C 36 28.760 31.711 -2.951 1
1 322 . 10 1 1 A 37 37 ALA H H 37 8.920 7.937 0.983 1
1 323 . 10 1 1 A 37 37 ALA HA H 37 4.490 4.936 -0.446 1
1 327 . 10 1 1 A 37 37 ALA CA C 37 47.550 50.172 -2.622 1
1 328 . 10 1 1 A 37 37 ALA CB C 37 17.110 22.115 -5.005 1
1 329 . 10 1 1 A 37 37 ALA N N 37 129.160 126.237 2.923 1
1 330 . 10 1 1 A 38 38 GLU H H 38 8.470 8.994 -0.524 1
1 331 . 10 1 1 A 38 38 GLU HA H 38 4.330 5.494 -1.164 1
1 336 . 10 1 1 A 38 38 GLU CA C 38 52.150 55.550 -3.400 1
1 337 . 10 1 1 A 38 38 GLU CB C 38 31.010 33.774 -2.764 1
1 339 . 10 1 1 A 38 38 GLU N N 38 117.150 116.217 0.933 1
1 340 . 10 1 1 A 39 39 PHE H H 39 8.870 8.457 0.413 1
1 341 . 10 1 1 A 39 39 PHE HA H 39 4.520 5.312 -0.792 1
1 344 . 10 1 1 A 39 39 PHE CA C 39 54.670 56.196 -1.526 1
1 345 . 10 1 1 A 39 39 PHE CB C 39 37.170 40.940 -3.770 1
1 346 . 10 1 1 A 39 39 PHE N N 39 115.740 117.905 -2.165 1
1 347 . 10 1 1 A 40 40 SER H H 40 8.870 8.366 0.504 1
1 348 . 10 1 1 A 40 40 SER HA H 40 5.420 5.285 0.135 1
1 351 . 10 1 1 A 40 40 SER CA C 40 54.890 57.563 -2.673 1
1 352 . 10 1 1 A 40 40 SER CB C 40 63.790 65.303 -1.513 1
1 353 . 10 1 1 A 40 40 SER N N 40 113.140 116.107 -2.967 1
1 354 . 10 1 1 A 41 41 ILE H H 41 8.410 9.256 -0.846 1
1 355 . 10 1 1 A 41 41 ILE HA H 41 4.670 4.992 -0.322 1
1 365 . 10 1 1 A 41 41 ILE CA C 41 57.640 60.944 -3.304 1
1 366 . 10 1 1 A 41 41 ILE CB C 41 38.260 39.996 -1.736 1
1 370 . 10 1 1 A 41 41 ILE N N 41 118.020 123.266 -5.246 1
1 371 . 10 1 1 A 42 42 TRP H H 42 9.580 8.851 0.729 1
1 372 . 10 1 1 A 42 42 TRP HA H 42 4.870 5.067 -0.197 1
1 375 . 10 1 1 A 42 42 TRP CA C 42 56.240 57.228 -0.988 1
1 376 . 10 1 1 A 42 42 TRP CB C 42 27.690 31.165 -3.475 1
1 377 . 10 1 1 A 42 42 TRP N N 42 126.430 130.528 -4.098 1
1 378 . 10 1 1 A 43 43 THR H H 43 8.370 9.009 -0.639 1
1 379 . 10 1 1 A 43 43 THR HA H 43 3.800 4.217 -0.417 1
1 384 . 10 1 1 A 43 43 THR CA C 43 59.210 60.169 -0.959 1
1 385 . 10 1 1 A 43 43 THR CB C 43 67.070 69.851 -2.781 1
1 387 . 10 1 1 A 43 43 THR N N 43 112.460 120.023 -7.563 1
1 388 . 10 1 1 A 44 44 ARG HA H 44 3.910 3.823 0.087 1
1 395 . 10 1 1 A 44 44 ARG CA C 44 57.190 56.830 0.360 1
1 396 . 10 1 1 A 44 44 ARG CB C 44 27.710 28.921 -1.211 1
1 399 . 10 1 1 A 45 45 GLU H H 45 8.260 7.959 0.301 1
1 400 . 10 1 1 A 45 45 GLU HA H 45 4.160 4.580 -0.420 1
1 405 . 10 1 1 A 45 45 GLU CA C 45 54.510 57.980 -3.470 1
1 406 . 10 1 1 A 45 45 GLU CB C 45 27.510 31.966 -4.456 1
1 408 . 10 1 1 A 45 45 GLU N N 45 113.080 125.350 -12.270 1
1 409 . 10 1 1 A 46 46 ALA H H 46 7.550 8.350 -0.800 1
1 410 . 10 1 1 A 46 46 ALA HA H 46 3.870 4.142 -0.272 1
1 414 . 10 1 1 A 46 46 ALA CA C 46 50.350 54.832 -4.482 1
1 415 . 10 1 1 A 46 46 ALA CB C 46 18.120 19.905 -1.785 1
1 416 . 10 1 1 A 46 46 ALA N N 46 119.560 121.895 -2.335 1
1 417 . 10 1 1 A 47 47 GLY H H 47 7.450 7.383 0.067 1
1 418 . 10 1 1 A 47 47 GLY HA2 H 47 4.180 4.104 0.076 1
1 419 . 10 1 1 A 47 47 GLY HA3 H 47 3.630 4.122 -0.492 1
1 420 . 10 1 1 A 47 47 GLY CA C 47 41.940 45.231 -3.291 1
1 421 . 10 1 1 A 47 47 GLY N N 47 102.870 102.256 0.614 1
1 422 . 10 1 1 A 48 48 ALA H H 48 8.220 8.393 -0.173 1
1 423 . 10 1 1 A 48 48 ALA HA H 48 4.290 4.420 -0.130 1
1 427 . 10 1 1 A 48 48 ALA CA C 48 49.360 52.872 -3.512 1
1 428 . 10 1 1 A 48 48 ALA CB C 48 16.590 19.484 -2.894 1
1 429 . 10 1 1 A 48 48 ALA N N 48 120.390 123.237 -2.847 1
1 430 . 10 1 1 A 49 49 GLY H H 49 8.000 8.445 -0.445 1
1 431 . 10 1 1 A 49 49 GLY HA2 H 49 3.720 3.581 0.139 1
1 432 . 10 1 1 A 49 49 GLY HA3 H 49 3.720 4.094 -0.374 1
1 433 . 10 1 1 A 49 49 GLY CA C 49 43.000 45.901 -2.901 1
1 434 . 10 1 1 A 49 49 GLY N N 49 106.720 106.811 -0.091 1
1 435 . 10 1 1 A 50 50 GLY H H 50 7.580 7.779 -0.199 1
1 436 . 10 1 1 A 50 50 GLY N N 50 104.780 108.758 -3.978 1
1 437 . 10 1 1 A 51 51 LEU HA H 51 5.300 5.214 0.086 1
1 444 . 10 1 1 A 51 51 LEU CA C 51 50.270 54.038 -3.768 1
1 445 . 10 1 1 A 51 51 LEU CB C 51 42.930 44.032 -1.102 1
1 448 . 10 1 1 A 52 52 SER H H 52 9.110 8.581 0.529 1
1 449 . 10 1 1 A 52 52 SER HA H 52 5.180 5.150 0.030 1
1 452 . 10 1 1 A 52 52 SER CA C 52 53.700 57.431 -3.731 1
1 453 . 10 1 1 A 52 52 SER CB C 52 63.000 64.455 -1.455 1
1 454 . 10 1 1 A 52 52 SER N N 52 117.210 123.304 -6.094 1
1 455 . 10 1 1 A 53 53 ILE H H 53 8.330 8.737 -0.407 1
1 456 . 10 1 1 A 53 53 ILE HA H 53 4.930 4.965 -0.035 1
1 466 . 10 1 1 A 53 53 ILE CA C 53 57.220 60.812 -3.592 1
1 467 . 10 1 1 A 53 53 ILE CB C 53 37.710 40.237 -2.527 1
1 471 . 10 1 1 A 53 53 ILE N N 53 124.030 125.890 -1.860 1
1 472 . 10 1 1 A 54 54 ALA H H 54 8.920 8.630 0.290 1
1 473 . 10 1 1 A 54 54 ALA HA H 54 5.390 4.905 0.485 1
1 477 . 10 1 1 A 54 54 ALA CA C 54 47.440 50.630 -3.190 1
1 478 . 10 1 1 A 54 54 ALA CB C 54 19.810 20.272 -0.462 1
1 479 . 10 1 1 A 54 54 ALA N N 54 126.530 131.072 -4.542 1
1 480 . 10 1 1 A 55 55 VAL H H 55 9.010 8.824 0.186 1
1 481 . 10 1 1 A 55 55 VAL HA H 55 4.830 5.274 -0.444 1
1 489 . 10 1 1 A 55 55 VAL CA C 55 58.430 59.442 -1.012 1
1 490 . 10 1 1 A 55 55 VAL CB C 55 31.020 33.945 -2.925 1
1 493 . 10 1 1 A 55 55 VAL N N 55 119.590 118.669 0.921 1
1 494 . 10 1 1 A 56 56 GLU H H 56 9.270 8.742 0.528 1
1 495 . 10 1 1 A 56 56 GLU HA H 56 4.690 5.133 -0.443 1
1 500 . 10 1 1 A 56 56 GLU CA C 56 52.000 54.981 -2.981 1
1 501 . 10 1 1 A 56 56 GLU CB C 56 31.050 33.132 -2.082 1
1 503 . 10 1 1 A 56 56 GLU N N 56 127.360 123.483 3.877 1
1 504 . 10 1 1 A 57 57 GLY H H 57 8.620 8.122 0.498 1
1 505 . 10 1 1 A 57 57 GLY N N 57 108.540 112.239 -3.699 1
1 506 . 10 1 1 A 58 58 PRO HA H 58 4.480 4.295 0.185 1
1 513 . 10 1 1 A 58 58 PRO CA C 58 61.850 64.512 -2.662 1
1 514 . 10 1 1 A 58 58 PRO CB C 58 29.820 31.983 -2.163 1
1 517 . 10 1 1 A 59 59 SER H H 59 7.200 7.252 -0.052 1
1 518 . 10 1 1 A 59 59 SER HA H 59 4.620 4.818 -0.198 1
1 521 . 10 1 1 A 59 59 SER CA C 59 55.050 56.637 -1.587 1
1 522 . 10 1 1 A 59 59 SER CB C 59 63.650 65.774 -2.124 1
1 523 . 10 1 1 A 59 59 SER N N 59 106.970 110.939 -3.969 1
1 524 . 10 1 1 A 60 60 LYS H H 60 8.570 8.591 -0.021 1
1 525 . 10 1 1 A 60 60 LYS HA H 60 4.000 4.674 -0.674 1
1 534 . 10 1 1 A 60 60 LYS CA C 60 54.090 55.431 -1.341 1
1 535 . 10 1 1 A 60 60 LYS CB C 60 30.480 32.964 -2.484 1
1 539 . 10 1 1 A 60 60 LYS N N 60 118.890 124.276 -5.386 1
1 540 . 10 1 1 A 61 61 ALA H H 61 8.830 8.608 0.222 1
1 541 . 10 1 1 A 61 61 ALA HA H 61 4.930 4.519 0.411 1
1 545 . 10 1 1 A 61 61 ALA CA C 61 47.980 52.858 -4.878 1
1 546 . 10 1 1 A 61 61 ALA CB C 61 17.500 19.238 -1.738 1
1 547 . 10 1 1 A 61 61 ALA N N 61 127.130 129.809 -2.679 1
1 548 . 10 1 1 A 62 62 GLU H H 62 8.440 8.268 0.172 1
1 549 . 10 1 1 A 62 62 GLU HA H 62 4.610 4.584 0.026 1
1 554 . 10 1 1 A 62 62 GLU CA C 62 52.800 55.340 -2.540 1
1 555 . 10 1 1 A 62 62 GLU CB C 62 27.620 29.675 -2.055 1
1 557 . 10 1 1 A 62 62 GLU N N 62 121.980 122.554 -0.574 1
1 558 . 10 1 1 A 63 63 ILE H H 63 8.710 8.019 0.691 1
1 559 . 10 1 1 A 63 63 ILE HA H 63 4.710 4.295 0.415 1
1 569 . 10 1 1 A 63 63 ILE CA C 63 58.480 62.285 -3.805 1
1 570 . 10 1 1 A 63 63 ILE CB C 63 37.820 38.532 -0.712 1
1 574 . 10 1 1 A 63 63 ILE N N 63 125.400 127.145 -1.745 1
1 575 . 10 1 1 A 64 64 ALA H H 64 9.350 8.501 0.849 1
1 576 . 10 1 1 A 64 64 ALA HA H 64 5.400 4.999 0.401 1
1 580 . 10 1 1 A 64 64 ALA CA C 64 47.440 51.502 -4.062 1
1 581 . 10 1 1 A 64 64 ALA CB C 64 19.750 21.238 -1.488 1
1 582 . 10 1 1 A 64 64 ALA N N 64 130.180 126.249 3.931 1
1 583 . 10 1 1 A 65 65 PHE H H 65 8.120 8.470 -0.350 1
1 584 . 10 1 1 A 65 65 PHE HA H 65 5.410 5.121 0.289 1
1 587 . 10 1 1 A 65 65 PHE CA C 65 53.210 56.195 -2.985 1
1 588 . 10 1 1 A 65 65 PHE CB C 65 40.490 40.238 0.252 1
1 589 . 10 1 1 A 65 65 PHE N N 65 115.800 121.272 -5.472 1
1 590 . 10 1 1 A 66 66 GLU H H 66 8.360 9.267 -0.907 1
1 591 . 10 1 1 A 66 66 GLU HA H 66 4.700 4.825 -0.125 1
1 596 . 10 1 1 A 66 66 GLU CA C 66 52.100 55.128 -3.028 1
1 597 . 10 1 1 A 66 66 GLU CB C 66 30.280 33.350 -3.070 1
1 599 . 10 1 1 A 66 66 GLU N N 66 120.390 122.762 -2.372 1
1 600 . 10 1 1 A 67 67 ASP H H 67 8.880 9.060 -0.180 1
1 601 . 10 1 1 A 67 67 ASP HA H 67 5.120 5.021 0.099 1
1 604 . 10 1 1 A 67 67 ASP CA C 67 51.070 53.390 -2.320 1
1 605 . 10 1 1 A 67 67 ASP CB C 67 38.310 40.536 -2.226 1
1 606 . 10 1 1 A 67 67 ASP N N 67 124.860 125.894 -1.034 1
1 607 . 10 1 1 A 68 68 ARG H H 68 8.330 8.495 -0.165 1
1 608 . 10 1 1 A 68 68 ARG HA H 68 4.170 4.556 -0.386 1
1 613 . 10 1 1 A 68 68 ARG CA C 68 54.170 55.626 -1.456 1
1 614 . 10 1 1 A 68 68 ARG CB C 68 27.740 30.502 -2.762 1
1 615 . 10 1 1 A 68 68 ARG N N 68 125.010 124.721 0.289 1
1 616 . 10 1 1 A 69 69 LYS H H 69 7.980 7.689 0.291 1
1 617 . 10 1 1 A 69 69 LYS HA H 69 4.030 4.403 -0.373 1
1 626 . 10 1 1 A 69 69 LYS CA C 69 55.530 55.269 0.261 1
1 627 . 10 1 1 A 69 69 LYS CB C 69 26.220 33.969 -7.749 1
1 631 . 10 1 1 A 69 69 LYS N N 69 118.110 117.592 0.518 1
1 632 . 10 1 1 A 70 70 ASP H H 70 7.930 8.310 -0.380 1
1 633 . 10 1 1 A 70 70 ASP HA H 70 4.330 4.256 0.074 1
1 636 . 10 1 1 A 70 70 ASP CA C 70 52.540 55.470 -2.930 1
1 637 . 10 1 1 A 70 70 ASP CB C 70 40.020 40.374 -0.354 1
1 638 . 10 1 1 A 70 70 ASP N N 70 116.380 118.852 -2.472 1
1 639 . 10 1 1 A 71 71 GLY H H 71 9.080 8.123 0.957 1
1 640 . 10 1 1 A 71 71 GLY HA2 H 71 4.200 3.991 0.209 1
1 641 . 10 1 1 A 71 71 GLY HA3 H 71 3.630 4.086 -0.456 1
1 642 . 10 1 1 A 71 71 GLY CA C 71 42.480 45.621 -3.141 1
1 643 . 10 1 1 A 71 71 GLY N N 71 108.240 106.462 1.778 1
1 644 . 10 1 1 A 72 72 SER H H 72 8.400 7.830 0.570 1
1 645 . 10 1 1 A 72 72 SER HA H 72 5.470 4.830 0.640 1
1 648 . 10 1 1 A 72 72 SER CA C 72 54.440 57.325 -2.885 1
1 649 . 10 1 1 A 72 72 SER CB C 72 65.130 64.432 0.698 1
1 650 . 10 1 1 A 72 72 SER N N 72 116.980 116.843 0.137 1
1 651 . 10 1 1 A 73 73 CYS H H 73 8.810 8.468 0.342 1
1 652 . 10 1 1 A 73 73 CYS HA H 73 5.210 4.734 0.476 1
1 655 . 10 1 1 A 73 73 CYS CA C 73 53.240 58.624 -5.384 1
1 656 . 10 1 1 A 73 73 CYS CB C 73 28.520 27.325 1.195 1
1 657 . 10 1 1 A 73 73 CYS N N 73 114.140 124.935 -10.795 1
1 658 . 10 1 1 A 74 74 GLY H H 74 8.880 8.670 0.210 1
1 659 . 10 1 1 A 74 74 GLY HA2 H 74 4.540 4.065 0.475 1
1 660 . 10 1 1 A 74 74 GLY HA3 H 74 3.610 4.121 -0.511 1
1 661 . 10 1 1 A 74 74 GLY CA C 74 41.630 44.758 -3.128 1
1 662 . 10 1 1 A 74 74 GLY N N 74 110.010 114.097 -4.087 1
1 663 . 10 1 1 A 75 75 VAL H H 75 8.480 8.831 -0.351 1
1 664 . 10 1 1 A 75 75 VAL HA H 75 4.550 4.867 -0.317 1
1 672 . 10 1 1 A 75 75 VAL CA C 75 57.860 61.039 -3.179 1
1 673 . 10 1 1 A 75 75 VAL CB C 75 30.530 32.109 -1.579 1
1 676 . 10 1 1 A 75 75 VAL N N 75 122.510 126.559 -4.049 1
1 677 . 10 1 1 A 76 76 SER H H 76 8.700 9.300 -0.600 1
1 678 . 10 1 1 A 76 76 SER HA H 76 5.540 5.298 0.242 1
1 681 . 10 1 1 A 76 76 SER CA C 76 53.360 57.336 -3.976 1
1 682 . 10 1 1 A 76 76 SER CB C 76 63.190 63.973 -0.783 1
1 683 . 10 1 1 A 76 76 SER N N 76 118.910 123.874 -4.964 1
1 684 . 10 1 1 A 77 77 TYR H H 77 8.960 9.172 -0.212 1
1 685 . 10 1 1 A 77 77 TYR HA H 77 4.420 6.121 -1.701 1
1 688 . 10 1 1 A 77 77 TYR CA C 77 52.780 55.395 -2.615 1
1 689 . 10 1 1 A 77 77 TYR CB C 77 39.950 41.886 -1.936 1
1 690 . 10 1 1 A 77 77 TYR N N 77 118.060 123.414 -5.354 1
1 691 . 10 1 1 A 78 78 VAL H H 78 8.160 9.025 -0.865 1
1 692 . 10 1 1 A 78 78 VAL HA H 78 4.320 4.518 -0.198 1
1 700 . 10 1 1 A 78 78 VAL CA C 78 57.510 60.639 -3.129 1
1 701 . 10 1 1 A 78 78 VAL CB C 78 32.620 33.072 -0.452 1
1 704 . 10 1 1 A 78 78 VAL N N 78 116.800 124.258 -7.458 1
1 705 . 10 1 1 A 79 79 VAL H H 79 8.730 8.380 0.350 1
1 706 . 10 1 1 A 79 79 VAL HA H 79 4.760 4.364 0.396 1
1 714 . 10 1 1 A 79 79 VAL CA C 79 55.750 60.922 -5.172 1
1 715 . 10 1 1 A 79 79 VAL CB C 79 30.530 33.524 -2.994 1
1 718 . 10 1 1 A 79 79 VAL N N 79 119.730 125.090 -5.360 1
1 719 . 10 1 1 A 80 80 GLN H H 80 8.030 9.224 -1.194 1
1 720 . 10 1 1 A 80 80 GLN HA H 80 4.240 4.455 -0.215 1
1 725 . 10 1 1 A 80 80 GLN CA C 80 53.910 57.096 -3.186 1
1 726 . 10 1 1 A 80 80 GLN CB C 80 27.130 30.581 -3.451 1
1 728 . 10 1 1 A 80 80 GLN N N 80 116.150 122.130 -5.980 1
1 729 . 10 1 1 A 81 81 GLU H H 81 7.070 7.937 -0.867 1
1 730 . 10 1 1 A 81 81 GLU HA H 81 5.010 4.791 0.219 1
1 735 . 10 1 1 A 81 81 GLU CA C 81 49.600 54.595 -4.995 1
1 736 . 10 1 1 A 81 81 GLU CB C 81 29.410 32.338 -2.928 1
1 738 . 10 1 1 A 81 81 GLU N N 81 113.990 114.398 -0.408 1
1 739 . 10 1 1 A 82 82 PRO HA H 82 5.040 4.690 0.350 1
1 746 . 10 1 1 A 82 82 PRO CA C 82 59.910 63.757 -3.847 1
1 747 . 10 1 1 A 82 82 PRO CB C 82 29.280 32.209 -2.929 1
1 750 . 10 1 1 A 83 83 GLY H H 83 8.840 7.755 1.085 1
1 751 . 10 1 1 A 83 83 GLY CA C 83 41.780 44.922 -3.142 1
1 752 . 10 1 1 A 83 83 GLY N N 83 104.910 107.782 -2.872 1
1 753 . 10 1 1 A 84 84 ASP H H 84 8.250 8.395 -0.145 1
1 754 . 10 1 1 A 84 84 ASP HA H 84 5.260 5.243 0.017 1
1 757 . 10 1 1 A 84 84 ASP CA C 84 51.540 53.194 -1.654 1
1 758 . 10 1 1 A 84 84 ASP CB C 84 38.700 41.117 -2.417 1
1 759 . 10 1 1 A 84 84 ASP N N 84 118.800 120.504 -1.704 1
1 760 . 10 1 1 A 85 85 TYR H H 85 8.810 8.596 0.214 1
1 761 . 10 1 1 A 85 85 TYR HA H 85 3.970 4.995 -1.025 1
1 764 . 10 1 1 A 85 85 TYR CA C 85 53.930 58.940 -5.010 1
1 765 . 10 1 1 A 85 85 TYR CB C 85 37.760 39.938 -2.178 1
1 766 . 10 1 1 A 85 85 TYR N N 85 121.630 124.820 -3.190 1
1 767 . 10 1 1 A 86 86 GLU H H 86 9.320 8.792 0.528 1
1 768 . 10 1 1 A 86 86 GLU HA H 86 5.260 4.916 0.344 1
1 773 . 10 1 1 A 86 86 GLU CA C 86 52.350 55.200 -2.850 1
1 774 . 10 1 1 A 86 86 GLU CB C 86 30.070 31.944 -1.874 1
1 776 . 10 1 1 A 86 86 GLU N N 86 120.420 121.952 -1.532 1
1 777 . 10 1 1 A 87 87 VAL H H 87 9.810 8.327 1.483 1
1 778 . 10 1 1 A 87 87 VAL HA H 87 4.990 4.895 0.095 1
1 786 . 10 1 1 A 87 87 VAL CA C 87 58.590 59.318 -0.728 1
1 787 . 10 1 1 A 87 87 VAL CB C 87 30.210 33.890 -3.680 1
1 790 . 10 1 1 A 87 87 VAL N N 87 129.200 124.921 4.279 1
1 791 . 10 1 1 A 88 88 SER H H 88 9.560 8.577 0.983 1
1 792 . 10 1 1 A 88 88 SER HA H 88 5.170 5.265 -0.095 1
1 795 . 10 1 1 A 88 88 SER CA C 88 55.170 56.605 -1.435 1
1 796 . 10 1 1 A 88 88 SER CB C 88 62.790 64.747 -1.957 1
1 797 . 10 1 1 A 88 88 SER N N 88 121.730 123.851 -2.121 1
1 798 . 10 1 1 A 89 89 ILE H H 89 9.570 9.047 0.523 1
1 799 . 10 1 1 A 89 89 ILE HA H 89 4.920 5.385 -0.465 1
1 809 . 10 1 1 A 89 89 ILE CA C 89 57.020 59.074 -2.054 1
1 810 . 10 1 1 A 89 89 ILE CB C 89 38.120 40.145 -2.025 1
1 814 . 10 1 1 A 89 89 ILE N N 89 125.650 122.247 3.403 1
1 815 . 10 1 1 A 90 90 LYS H H 90 8.760 8.606 0.154 1
1 816 . 10 1 1 A 90 90 LYS HA H 90 5.130 5.384 -0.254 1
1 825 . 10 1 1 A 90 90 LYS CA C 90 50.980 54.766 -3.786 1
1 826 . 10 1 1 A 90 90 LYS CB C 90 33.850 36.014 -2.164 1
1 830 . 10 1 1 A 90 90 LYS N N 90 122.170 123.858 -1.688 1
1 831 . 10 1 1 A 91 91 PHE H H 91 9.040 8.396 0.644 1
1 832 . 10 1 1 A 91 91 PHE HA H 91 5.330 4.670 0.660 1
1 835 . 10 1 1 A 91 91 PHE CA C 91 53.190 57.610 -4.420 1
1 836 . 10 1 1 A 91 91 PHE CB C 91 40.200 39.605 0.595 1
1 837 . 10 1 1 A 91 91 PHE N N 91 120.990 125.503 -4.513 1
1 838 . 10 1 1 A 92 92 ASN H H 92 9.210 9.756 -0.546 1
1 839 . 10 1 1 A 92 92 ASN HA H 92 4.220 4.192 0.028 1
1 842 . 10 1 1 A 92 92 ASN CA C 92 51.480 53.900 -2.420 1
1 843 . 10 1 1 A 92 92 ASN CB C 92 33.610 36.892 -3.282 1
1 844 . 10 1 1 A 92 92 ASN N N 92 127.010 125.255 1.755 1
1 845 . 10 1 1 A 93 93 ASP H H 93 8.760 8.517 0.243 1
1 846 . 10 1 1 A 93 93 ASP HA H 93 3.970 4.256 -0.286 1
1 849 . 10 1 1 A 93 93 ASP CA C 93 53.920 56.085 -2.165 1
1 850 . 10 1 1 A 93 93 ASP CB C 93 38.060 39.222 -1.162 1
1 851 . 10 1 1 A 93 93 ASP N N 93 107.220 110.660 -3.440 1
1 852 . 10 1 1 A 94 94 GLU H H 94 7.500 8.068 -0.568 1
1 853 . 10 1 1 A 94 94 GLU HA H 94 4.700 4.718 -0.018 1
1 857 . 10 1 1 A 94 94 GLU CA C 94 51.940 55.590 -3.650 1
1 858 . 10 1 1 A 94 94 GLU CB C 94 29.680 30.048 -0.368 1
1 860 . 10 1 1 A 94 94 GLU N N 94 117.830 117.453 0.377 1
1 861 . 10 1 1 A 95 95 HIS H H 95 8.770 8.963 -0.193 1
1 862 . 10 1 1 A 95 95 HIS HA H 95 4.480 4.694 -0.214 1
1 865 . 10 1 1 A 95 95 HIS CA C 95 56.530 55.780 0.750 1
1 866 . 10 1 1 A 95 95 HIS CB C 95 29.690 29.905 -0.215 1
1 867 . 10 1 1 A 95 95 HIS N N 95 121.910 121.096 0.814 1
1 868 . 10 1 1 A 96 96 ILE H H 96 8.110 8.409 -0.299 1
1 869 . 10 1 1 A 96 96 ILE HA H 96 4.310 4.169 0.141 1
1 871 . 10 1 1 A 96 96 ILE CA C 96 57.520 60.013 -2.493 1
1 872 . 10 1 1 A 96 96 ILE CB C 96 32.720 37.696 -4.976 1
1 873 . 10 1 1 A 96 96 ILE N N 96 116.370 120.687 -4.317 1
1 874 . 10 1 1 A 97 97 PRO CA C 97 63.500 62.328 1.172 1
1 875 . 10 1 1 A 97 97 PRO CB C 97 28.690 29.453 -0.763 1
1 878 . 10 1 1 A 98 98 ASP H H 98 7.940 9.137 -1.197 1
1 879 . 10 1 1 A 98 98 ASP HA H 98 5.010 4.886 0.124 1
1 882 . 10 1 1 A 98 98 ASP CA C 98 54.510 55.362 -0.852 1
1 883 . 10 1 1 A 98 98 ASP CB C 98 37.760 42.889 -5.129 1
1 884 . 10 1 1 A 98 98 ASP N N 98 113.440 123.096 -9.656 1
1 885 . 10 1 1 A 99 99 SER H H 99 7.470 7.711 -0.241 1
1 886 . 10 1 1 A 99 99 SER HA H 99 4.230 4.712 -0.482 1
1 889 . 10 1 1 A 99 99 SER CA C 99 52.370 56.722 -4.352 1
1 890 . 10 1 1 A 99 99 SER CB C 99 60.430 64.298 -3.868 1
1 891 . 10 1 1 A 99 99 SER N N 99 110.680 116.921 -6.241 1
1 892 . 10 1 1 A 100 100 PRO HA H 100 4.550 5.047 -0.497 1
1 899 . 10 1 1 A 100 100 PRO CA C 100 59.920 62.317 -2.397 1
1 900 . 10 1 1 A 100 100 PRO CB C 100 31.880 31.889 -0.009 1
1 903 . 10 1 1 A 101 101 PHE H H 101 9.270 7.379 1.891 1
1 904 . 10 1 1 A 101 101 PHE HA H 101 4.560 4.738 -0.178 1
1 907 . 10 1 1 A 101 101 PHE CA C 101 54.060 55.686 -1.626 1
1 908 . 10 1 1 A 101 101 PHE CB C 101 37.930 40.666 -2.736 1
1 909 . 10 1 1 A 101 101 PHE N N 101 119.180 118.590 0.590 1
1 910 . 10 1 1 A 102 102 VAL H H 102 8.760 8.454 0.306 1
1 911 . 10 1 1 A 102 102 VAL HA H 102 4.580 4.711 -0.131 1
1 919 . 10 1 1 A 102 102 VAL CA C 102 60.400 61.597 -1.197 1
1 920 . 10 1 1 A 102 102 VAL CB C 102 28.970 33.292 -4.322 1
1 923 . 10 1 1 A 102 102 VAL N N 102 123.120 122.705 0.415 1
1 924 . 10 1 1 A 103 103 VAL H H 103 9.520 9.671 -0.151 1
1 925 . 10 1 1 A 103 103 VAL HA H 103 4.390 4.758 -0.368 1
1 933 . 10 1 1 A 103 103 VAL CA C 103 57.200 59.326 -2.126 1
1 934 . 10 1 1 A 103 103 VAL CB C 103 32.060 32.993 -0.933 1
1 937 . 10 1 1 A 103 103 VAL N N 103 130.330 129.103 1.227 1
1 938 . 10 1 1 A 104 104 PRO HA H 104 4.370 4.841 -0.471 1
1 941 . 10 1 1 A 104 104 PRO CA C 104 60.240 62.740 -2.500 1
1 942 . 10 1 1 A 104 104 PRO CB C 104 29.660 31.788 -2.128 1
1 945 . 10 1 1 A 105 105 VAL H H 105 9.300 8.298 1.002 1
1 946 . 10 1 1 A 105 105 VAL HA H 105 4.300 4.622 -0.322 1
1 954 . 10 1 1 A 105 105 VAL CA C 105 59.210 61.973 -2.763 1
1 955 . 10 1 1 A 105 105 VAL CB C 105 28.840 32.448 -3.608 1
1 958 . 10 1 1 A 105 105 VAL N N 105 126.320 124.310 2.010 1
1 959 . 10 1 1 A 106 106 ALA H H 106 8.360 9.671 -1.311 1
1 960 . 10 1 1 A 106 106 ALA HA H 106 4.660 5.160 -0.500 1
1 964 . 10 1 1 A 106 106 ALA CA C 106 48.340 50.403 -2.063 1
1 965 . 10 1 1 A 106 106 ALA CB C 106 18.960 21.958 -2.998 1
1 966 . 10 1 1 A 106 106 ALA N N 106 130.550 129.031 1.519 1
1 967 . 10 1 1 A 107 107 SER H H 107 8.590 8.500 0.090 1
1 968 . 10 1 1 A 107 107 SER HA H 107 4.490 4.938 -0.448 1
1 971 . 10 1 1 A 107 107 SER CA C 107 55.570 57.085 -1.515 1
1 972 . 10 1 1 A 107 107 SER CB C 107 61.760 63.156 -1.396 1
1 973 . 10 1 1 A 107 107 SER N N 107 112.340 115.961 -3.621 1
1 974 . 10 1 1 A 108 108 LEU H H 108 8.660 8.762 -0.102 1
1 975 . 10 1 1 A 108 108 LEU HA H 108 4.300 3.979 0.321 1
1 985 . 10 1 1 A 108 108 LEU CA C 108 53.250 56.768 -3.518 1
1 986 . 10 1 1 A 108 108 LEU CB C 108 39.650 40.173 -0.523 1
1 990 . 10 1 1 A 108 108 LEU N N 108 123.200 119.674 3.526 1
1 991 . 10 1 1 A 109 109 SER H H 109 8.210 8.174 0.036 1
1 992 . 10 1 1 A 109 109 SER HA H 109 4.370 4.367 0.003 1
1 995 . 10 1 1 A 109 109 SER CA C 109 55.810 59.205 -3.395 1
1 996 . 10 1 1 A 109 109 SER CB C 109 61.240 64.591 -3.351 1
1 997 . 10 1 1 A 109 109 SER N N 109 114.710 112.867 1.843 1
1 998 . 10 1 1 A 110 110 ASP H H 110 8.240 8.284 -0.044 1
1 999 . 10 1 1 A 110 110 ASP HA H 110 4.500 4.320 0.180 1
1 1002 . 10 1 1 A 110 110 ASP CA C 110 52.740 55.351 -2.611 1
1 1003 . 10 1 1 A 110 110 ASP CB C 110 38.260 40.420 -2.160 1
1 1004 . 10 1 1 A 110 110 ASP N N 110 121.030 120.614 0.416 1
1 1005 . 10 1 1 A 111 111 ASP H H 111 8.210 7.760 0.450 1
1 1006 . 10 1 1 A 111 111 ASP HA H 111 4.500 4.899 -0.399 1
1 1009 . 10 1 1 A 111 111 ASP CA C 111 52.770 55.015 -2.245 1
1 1010 . 10 1 1 A 111 111 ASP CB C 111 38.290 43.915 -5.625 1
1 1011 . 10 1 1 A 111 111 ASP N N 111 118.910 119.496 -0.586 1
1 1012 . 10 1 1 A 112 112 ALA H H 112 8.050 8.302 -0.252 1
1 1013 . 10 1 1 A 112 112 ALA HA H 112 4.170 3.961 0.209 1
1 1017 . 10 1 1 A 112 112 ALA CA C 112 50.710 52.931 -2.221 1
1 1018 . 10 1 1 A 112 112 ALA CB C 112 16.110 17.476 -1.366 1
1 1019 . 10 1 1 A 112 112 ALA N N 112 121.600 120.680 0.920 1
1 1020 . 10 1 1 A 113 113 ARG H H 113 7.960 7.891 0.069 1
1 1021 . 10 1 1 A 113 113 ARG HA H 113 4.030 4.330 -0.300 1
1 1027 . 10 1 1 A 113 113 ARG CA C 113 55.200 56.512 -1.312 1
1 1028 . 10 1 1 A 113 113 ARG CB C 113 27.730 31.157 -3.427 1
1 1031 . 10 1 1 A 113 113 ARG N N 113 116.640 117.760 -1.120 1
1 1032 . 10 1 1 A 114 114 ARG H H 114 7.930 8.987 -1.057 1
1 1033 . 10 1 1 A 114 114 ARG HA H 114 4.000 4.500 -0.500 1
1 1040 . 10 1 1 A 114 114 ARG CA C 114 53.940 56.339 -2.399 1
1 1041 . 10 1 1 A 114 114 ARG CB C 114 30.550 30.731 -0.181 1
1 1044 . 10 1 1 A 114 114 ARG N N 114 116.380 122.953 -6.573 1
1 1045 . 10 1 1 A 115 115 LEU H H 115 8.000 7.666 0.334 1
1 1046 . 10 1 1 A 115 115 LEU HA H 115 4.320 4.383 -0.063 1
1 1056 . 10 1 1 A 115 115 LEU CA C 115 52.870 55.781 -2.911 1
1 1057 . 10 1 1 A 115 115 LEU CB C 115 39.640 44.038 -4.398 1
1 1061 . 10 1 1 A 115 115 LEU N N 115 120.260 119.322 0.938 1
1 1062 . 10 1 1 A 116 116 THR H H 116 7.970 7.696 0.274 1
1 1063 . 10 1 1 A 116 116 THR HA H 116 4.390 4.484 -0.094 1
1 1068 . 10 1 1 A 116 116 THR CA C 116 59.270 62.781 -3.511 1
1 1069 . 10 1 1 A 116 116 THR CB C 116 67.420 69.681 -2.261 1
1 1071 . 10 1 1 A 116 116 THR N N 116 113.250 110.160 3.090 1
1 1072 . 10 1 1 A 117 117 VAL H H 117 8.070 8.100 -0.030 1
1 1073 . 10 1 1 A 117 117 VAL HA H 117 4.330 3.946 0.384 1
1 1078 . 10 1 1 A 117 117 VAL CA C 117 60.230 65.397 -5.167 1
1 1079 . 10 1 1 A 117 117 VAL CB C 117 30.360 31.767 -1.407 1
1 1081 . 10 1 1 A 117 117 VAL N N 117 120.990 122.551 -1.561 1
1 1082 . 10 1 1 A 118 118 THR H H 118 8.210 8.020 0.190 1
1 1083 . 10 1 1 A 118 118 THR HA H 118 4.380 3.945 0.435 1
1 1088 . 10 1 1 A 118 118 THR CA C 118 58.770 63.120 -4.350 1
1 1089 . 10 1 1 A 118 118 THR CB C 118 67.420 67.665 -0.245 1
1 1091 . 10 1 1 A 118 118 THR N N 118 116.420 116.354 0.066 1
1 1098 . 10 2 2 B 6 6 GLU H H 6 8.780 8.514 0.266 1
1 1099 . 10 2 2 B 6 6 GLU HA H 6 4.160 4.342 -0.182 1
1 1104 . 10 2 2 B 8 8 ARG H H 8 8.200 8.497 -0.297 1
1 1105 . 10 2 2 B 8 8 ARG HA H 8 4.210 4.531 -0.321 1
1 1111 . 10 2 2 B 9 9 VAL H H 9 9.000 8.567 0.433 1
1 1112 . 10 2 2 B 9 9 VAL HA H 9 4.070 4.212 -0.142 1
1 1123 . 10 2 2 B 11 11 SER H H 11 8.490 8.850 -0.360 1
1 1126 . 10 2 2 B 12 12 SER HA H 12 4.410 5.123 -0.713 1
1 1129 . 10 2 2 B 13 13 VAL H H 13 8.800 8.245 0.555 1
1 1130 . 10 2 2 B 13 13 VAL HA H 13 4.010 3.818 0.192 1
1 1138 . 10 2 2 B 14 14 PHE HA H 14 4.620 5.125 -0.505 1
1 1143 . 10 2 2 B 15 15 ILE H H 15 8.710 8.692 0.018 1
1 1144 . 10 2 2 B 15 15 ILE HA H 15 4.140 4.978 -0.838 1
1 1154 . 10 2 2 B 16 16 THR HA H 16 4.220 5.056 -0.836 1
1 1159 . 10 2 2 B 17 17 LEU H H 17 8.270 8.705 -0.435 1
1 1160 . 10 2 2 B 17 17 LEU HA H 17 4.130 5.258 -1.128 1
1 1170 . 10 2 2 B 18 18 ALA HA H 18 4.500 4.831 -0.331 1
1 4 . 11 1 1 A 2 2 ILE H H 2 8.800 8.515 0.285 1
1 5 . 11 1 1 A 2 2 ILE N N 2 126.630 120.631 5.999 1
1 6 . 11 1 1 A 3 3 PRO HA H 3 4.360 4.354 0.006 1
1 13 . 11 1 1 A 3 3 PRO CA C 3 60.670 66.218 -5.548 1
1 14 . 11 1 1 A 3 3 PRO CB C 3 29.390 31.366 -1.976 1
1 17 . 11 1 1 A 4 4 GLU H H 4 8.270 8.202 0.068 1
1 18 . 11 1 1 A 4 4 GLU HA H 4 4.360 4.100 0.260 1
1 23 . 11 1 1 A 4 4 GLU CA C 4 53.690 58.057 -4.367 1
1 24 . 11 1 1 A 4 4 GLU CB C 4 29.430 29.523 -0.093 1
1 26 . 11 1 1 A 4 4 GLU N N 4 119.290 118.123 1.167 1
1 27 . 11 1 1 A 5 5 PHE H H 5 8.810 8.210 0.600 1
1 28 . 11 1 1 A 5 5 PHE N N 5 126.600 117.865 8.735 1
1 29 . 11 1 1 A 6 6 PHE H H 6 8.070 8.449 -0.379 1
1 30 . 11 1 1 A 6 6 PHE HA H 6 4.650 4.567 0.083 1
1 33 . 11 1 1 A 6 6 PHE CA C 6 54.920 58.970 -4.050 1
1 34 . 11 1 1 A 6 6 PHE CB C 6 37.190 39.285 -2.095 1
1 35 . 11 1 1 A 6 6 PHE N N 6 120.380 118.936 1.444 1
1 36 . 11 1 1 A 7 7 GLN H H 7 7.980 9.212 -1.232 1
1 37 . 11 1 1 A 7 7 GLN HA H 7 4.430 3.911 0.519 1
1 42 . 11 1 1 A 7 7 GLN CA C 7 54.860 57.667 -2.807 1
1 43 . 11 1 1 A 7 7 GLN CB C 7 26.570 26.815 -0.245 1
1 45 . 11 1 1 A 7 7 GLN N N 7 119.930 117.369 2.561 1
1 46 . 11 1 1 A 8 8 PHE H H 8 8.030 8.266 -0.236 1
1 47 . 11 1 1 A 8 8 PHE HA H 8 4.630 4.769 -0.139 1
1 50 . 11 1 1 A 8 8 PHE CA C 8 55.020 58.690 -3.670 1
1 51 . 11 1 1 A 8 8 PHE CB C 8 36.840 41.107 -4.267 1
1 52 . 11 1 1 A 8 8 PHE N N 8 119.560 118.091 1.469 1
1 53 . 11 1 1 A 9 9 THR H H 9 8.040 8.127 -0.087 1
1 54 . 11 1 1 A 9 9 THR HA H 9 4.300 4.510 -0.210 1
1 59 . 11 1 1 A 9 9 THR CA C 9 59.410 62.434 -3.024 1
1 60 . 11 1 1 A 9 9 THR CB C 9 67.440 68.920 -1.480 1
1 62 . 11 1 1 A 9 9 THR N N 9 114.650 113.626 1.024 1
1 63 . 11 1 1 A 10 10 VAL H H 10 8.070 8.012 0.058 1
1 64 . 11 1 1 A 10 10 VAL HA H 10 4.210 3.859 0.351 1
1 72 . 11 1 1 A 10 10 VAL CA C 10 59.470 64.876 -5.406 1
1 73 . 11 1 1 A 10 10 VAL CB C 10 30.180 32.232 -2.052 1
1 75 . 11 1 1 A 10 10 VAL N N 10 120.380 122.240 -1.860 1
1 76 . 11 1 1 A 11 11 GLY H H 11 8.200 7.425 0.775 1
1 77 . 11 1 1 A 11 11 GLY HA2 H 11 4.090 3.973 0.117 1
1 78 . 11 1 1 A 11 11 GLY HA3 H 11 4.000 4.003 -0.003 1
1 79 . 11 1 1 A 11 11 GLY CA C 11 41.420 46.034 -4.614 1
1 80 . 11 1 1 A 11 11 GLY N N 11 110.910 108.897 2.013 1
1 81 . 11 1 1 A 12 12 PRO HA H 12 4.360 4.571 -0.211 1
1 88 . 11 1 1 A 12 12 PRO CA C 12 60.590 63.089 -2.499 1
1 89 . 11 1 1 A 12 12 PRO CB C 12 33.600 30.952 2.648 1
1 92 . 11 1 1 A 13 13 LEU H H 13 8.360 9.207 -0.847 1
1 93 . 11 1 1 A 13 13 LEU HA H 13 4.340 4.321 0.019 1
1 103 . 11 1 1 A 13 13 LEU CA C 13 52.800 55.861 -3.061 1
1 104 . 11 1 1 A 13 13 LEU CB C 13 39.650 39.705 -0.055 1
1 108 . 11 1 1 A 13 13 LEU N N 13 120.390 115.894 4.496 1
1 109 . 11 1 1 A 14 14 GLY H H 14 8.240 8.465 -0.225 1
1 110 . 11 1 1 A 14 14 GLY HA2 H 14 3.960 3.927 0.033 1
1 111 . 11 1 1 A 14 14 GLY HA3 H 14 3.660 4.012 -0.352 1
1 112 . 11 1 1 A 14 14 GLY CA C 14 40.240 45.236 -4.996 1
1 113 . 11 1 1 A 14 14 GLY N N 14 107.860 107.654 0.206 1
1 114 . 11 1 1 A 15 15 GLU H H 15 8.250 9.368 -1.118 1
1 115 . 11 1 1 A 15 15 GLU HA H 15 4.360 4.129 0.231 1
1 120 . 11 1 1 A 15 15 GLU CA C 15 53.920 57.611 -3.691 1
1 121 . 11 1 1 A 15 15 GLU CB C 15 27.800 28.847 -1.047 1
1 123 . 11 1 1 A 15 15 GLU N N 15 118.800 119.746 -0.946 1
1 124 . 11 1 1 A 16 16 GLY H H 16 8.460 8.546 -0.086 1
1 125 . 11 1 1 A 16 16 GLY HA2 H 16 3.960 4.081 -0.121 1
1 126 . 11 1 1 A 16 16 GLY HA3 H 16 3.880 4.099 -0.219 1
1 127 . 11 1 1 A 16 16 GLY CA C 16 42.490 45.892 -3.402 1
1 128 . 11 1 1 A 16 16 GLY N N 16 108.190 106.827 1.363 1
1 129 . 11 1 1 A 17 17 GLY H H 17 8.300 9.894 -1.594 1
1 130 . 11 1 1 A 17 17 GLY HA2 H 17 4.430 3.907 0.523 1
1 131 . 11 1 1 A 17 17 GLY HA3 H 17 3.780 3.988 -0.208 1
1 132 . 11 1 1 A 17 17 GLY CA C 17 42.550 46.613 -4.063 1
1 133 . 11 1 1 A 17 17 GLY N N 17 105.790 112.687 -6.897 1
1 134 . 11 1 1 A 18 18 ALA H H 18 8.800 8.203 0.597 1
1 135 . 11 1 1 A 18 18 ALA HA H 18 3.760 4.135 -0.375 1
1 139 . 11 1 1 A 18 18 ALA CA C 18 52.780 54.642 -1.862 1
1 140 . 11 1 1 A 18 18 ALA CB C 18 16.810 18.608 -1.798 1
1 141 . 11 1 1 A 18 18 ALA N N 18 120.770 124.792 -4.022 1
1 142 . 11 1 1 A 19 19 HIS H H 19 8.230 7.531 0.699 1
1 143 . 11 1 1 A 19 19 HIS HA H 19 4.410 4.282 0.128 1
1 146 . 11 1 1 A 19 19 HIS CA C 19 54.740 58.934 -4.194 1
1 147 . 11 1 1 A 19 19 HIS CB C 19 26.240 30.368 -4.128 1
1 148 . 11 1 1 A 19 19 HIS N N 19 109.490 118.372 -8.882 1
1 149 . 11 1 1 A 20 20 LYS H H 20 7.570 8.194 -0.624 1
1 150 . 11 1 1 A 20 20 LYS HA H 20 4.170 3.747 0.423 1
1 159 . 11 1 1 A 20 20 LYS CA C 20 52.100 58.331 -6.231 1
1 160 . 11 1 1 A 20 20 LYS CB C 20 29.850 31.591 -1.741 1
1 164 . 11 1 1 A 20 20 LYS N N 20 115.920 116.898 -0.978 1
1 165 . 11 1 1 A 21 21 VAL H H 21 7.460 7.431 0.029 1
1 166 . 11 1 1 A 21 21 VAL HA H 21 4.270 3.670 0.600 1
1 174 . 11 1 1 A 21 21 VAL CA C 21 60.730 62.142 -1.412 1
1 175 . 11 1 1 A 21 21 VAL CB C 21 29.340 31.819 -2.479 1
1 178 . 11 1 1 A 21 21 VAL N N 21 122.030 120.918 1.112 1
1 179 . 11 1 1 A 22 22 ARG H H 22 7.840 7.841 -0.001 1
1 180 . 11 1 1 A 22 22 ARG HA H 22 5.100 4.848 0.252 1
1 187 . 11 1 1 A 22 22 ARG CA C 22 51.230 53.947 -2.717 1
1 188 . 11 1 1 A 22 22 ARG CB C 22 31.930 31.816 0.114 1
1 191 . 11 1 1 A 22 22 ARG N N 22 121.520 129.833 -8.313 1
1 192 . 11 1 1 A 23 23 ALA H H 23 8.920 8.767 0.153 1
1 193 . 11 1 1 A 23 23 ALA HA H 23 5.580 5.317 0.263 1
1 197 . 11 1 1 A 23 23 ALA CA C 23 47.810 51.207 -3.397 1
1 198 . 11 1 1 A 23 23 ALA CB C 23 21.660 21.818 -0.158 1
1 199 . 11 1 1 A 23 23 ALA N N 23 123.300 127.457 -4.157 1
1 200 . 11 1 1 A 24 24 GLY H H 24 8.450 8.416 0.034 1
1 201 . 11 1 1 A 24 24 GLY HA2 H 24 4.200 4.388 -0.188 1
1 202 . 11 1 1 A 24 24 GLY HA3 H 24 4.160 4.391 -0.231 1
1 203 . 11 1 1 A 24 24 GLY CA C 24 43.560 45.075 -1.515 1
1 204 . 11 1 1 A 24 24 GLY N N 24 104.220 109.718 -5.498 1
1 205 . 11 1 1 A 25 25 GLY H H 25 8.770 8.468 0.302 1
1 206 . 11 1 1 A 25 25 GLY HA2 H 25 4.880 4.317 0.563 1
1 207 . 11 1 1 A 25 25 GLY HA3 H 25 4.050 4.405 -0.355 1
1 208 . 11 1 1 A 25 25 GLY CA C 25 42.110 46.052 -3.942 1
1 209 . 11 1 1 A 25 25 GLY N N 25 109.590 110.248 -0.658 1
1 210 . 11 1 1 A 26 26 THR H H 26 8.620 9.003 -0.383 1
1 211 . 11 1 1 A 26 26 THR HA H 26 4.030 4.025 0.005 1
1 216 . 11 1 1 A 26 26 THR CA C 26 63.280 66.150 -2.870 1
1 217 . 11 1 1 A 26 26 THR CB C 26 65.990 68.719 -2.729 1
1 219 . 11 1 1 A 26 26 THR N N 26 113.050 112.774 0.276 1
1 220 . 11 1 1 A 27 27 GLY H H 27 9.040 8.311 0.729 1
1 221 . 11 1 1 A 27 27 GLY HA2 H 27 4.270 3.819 0.451 1
1 222 . 11 1 1 A 27 27 GLY HA3 H 27 3.390 3.920 -0.530 1
1 223 . 11 1 1 A 27 27 GLY CA C 27 44.250 46.700 -2.450 1
1 224 . 11 1 1 A 27 27 GLY N N 27 105.190 107.890 -2.700 1
1 225 . 11 1 1 A 28 28 LEU H H 28 7.450 8.027 -0.577 1
1 226 . 11 1 1 A 28 28 LEU HA H 28 4.210 4.180 0.030 1
1 236 . 11 1 1 A 28 28 LEU CA C 28 51.150 56.199 -5.049 1
1 237 . 11 1 1 A 28 28 LEU CB C 28 37.670 41.847 -4.177 1
1 241 . 11 1 1 A 28 28 LEU N N 28 114.980 121.917 -6.937 1
1 242 . 11 1 1 A 29 29 GLU H H 29 7.980 7.805 0.175 1
1 243 . 11 1 1 A 29 29 GLU HA H 29 4.540 4.322 0.218 1
1 248 . 11 1 1 A 29 29 GLU CA C 29 54.910 58.366 -3.456 1
1 249 . 11 1 1 A 29 29 GLU CB C 29 29.430 30.817 -1.387 1
1 251 . 11 1 1 A 29 29 GLU N N 29 117.810 116.718 1.092 1
1 252 . 11 1 1 A 30 30 ARG H H 30 8.340 7.320 1.020 1
1 253 . 11 1 1 A 30 30 ARG HA H 30 4.720 4.691 0.029 1
1 260 . 11 1 1 A 30 30 ARG CA C 30 53.350 54.992 -1.642 1
1 261 . 11 1 1 A 30 30 ARG CB C 30 29.440 32.481 -3.041 1
1 264 . 11 1 1 A 30 30 ARG N N 30 112.890 114.315 -1.425 1
1 265 . 11 1 1 A 31 31 GLY H H 31 8.100 8.034 0.066 1
1 266 . 11 1 1 A 31 31 GLY HA2 H 31 4.540 4.382 0.158 1
1 267 . 11 1 1 A 31 31 GLY HA3 H 31 3.610 4.393 -0.783 1
1 268 . 11 1 1 A 31 31 GLY CA C 31 41.630 44.813 -3.183 1
1 269 . 11 1 1 A 31 31 GLY N N 31 103.670 106.151 -2.481 1
1 270 . 11 1 1 A 32 32 VAL H H 32 9.410 8.761 0.649 1
1 271 . 11 1 1 A 32 32 VAL HA H 32 4.450 5.108 -0.658 1
1 279 . 11 1 1 A 32 32 VAL CA C 32 58.730 59.953 -1.223 1
1 280 . 11 1 1 A 32 32 VAL CB C 32 32.560 35.666 -3.106 1
1 283 . 11 1 1 A 32 32 VAL N N 32 122.160 120.578 1.582 1
1 284 . 11 1 1 A 33 33 ALA H H 33 8.560 8.515 0.045 1
1 285 . 11 1 1 A 33 33 ALA HA H 33 3.620 3.975 -0.355 1
1 289 . 11 1 1 A 33 33 ALA CA C 33 50.860 53.965 -3.105 1
1 290 . 11 1 1 A 33 33 ALA CB C 33 14.450 18.545 -4.095 1
1 291 . 11 1 1 A 33 33 ALA N N 33 129.490 128.908 0.582 1
1 292 . 11 1 1 A 34 34 GLY H H 34 8.590 8.776 -0.186 1
1 293 . 11 1 1 A 34 34 GLY HA2 H 34 4.320 3.872 0.448 1
1 294 . 11 1 1 A 34 34 GLY HA3 H 34 3.420 3.878 -0.458 1
1 295 . 11 1 1 A 34 34 GLY CA C 34 42.710 46.660 -3.950 1
1 296 . 11 1 1 A 34 34 GLY N N 34 106.900 111.554 -4.654 1
1 297 . 11 1 1 A 35 35 VAL H H 35 7.840 7.634 0.206 1
1 298 . 11 1 1 A 35 35 VAL HA H 35 4.450 4.422 0.028 1
1 306 . 11 1 1 A 35 35 VAL CA C 35 56.660 58.938 -2.278 1
1 307 . 11 1 1 A 35 35 VAL CB C 35 32.030 35.185 -3.155 1
1 310 . 11 1 1 A 35 35 VAL N N 35 121.520 119.938 1.582 1
1 311 . 11 1 1 A 36 36 PRO HA H 36 4.260 4.412 -0.152 1
1 318 . 11 1 1 A 36 36 PRO CA C 36 60.720 62.633 -1.913 1
1 319 . 11 1 1 A 36 36 PRO CB C 36 28.760 31.456 -2.696 1
1 322 . 11 1 1 A 37 37 ALA H H 37 8.920 7.924 0.996 1
1 323 . 11 1 1 A 37 37 ALA HA H 37 4.490 4.323 0.167 1
1 327 . 11 1 1 A 37 37 ALA CA C 37 47.550 50.989 -3.439 1
1 328 . 11 1 1 A 37 37 ALA CB C 37 17.110 18.060 -0.950 1
1 329 . 11 1 1 A 37 37 ALA N N 37 129.160 126.031 3.129 1
1 330 . 11 1 1 A 38 38 GLU H H 38 8.470 8.310 0.160 1
1 331 . 11 1 1 A 38 38 GLU HA H 38 4.330 4.748 -0.418 1
1 336 . 11 1 1 A 38 38 GLU CA C 38 52.150 56.084 -3.934 1
1 337 . 11 1 1 A 38 38 GLU CB C 38 31.010 30.517 0.493 1
1 339 . 11 1 1 A 38 38 GLU N N 38 117.150 122.856 -5.706 1
1 340 . 11 1 1 A 39 39 PHE H H 39 8.870 8.700 0.170 1
1 341 . 11 1 1 A 39 39 PHE HA H 39 4.520 5.205 -0.685 1
1 344 . 11 1 1 A 39 39 PHE CA C 39 54.670 56.097 -1.427 1
1 345 . 11 1 1 A 39 39 PHE CB C 39 37.170 41.425 -4.255 1
1 346 . 11 1 1 A 39 39 PHE N N 39 115.740 117.464 -1.724 1
1 347 . 11 1 1 A 40 40 SER H H 40 8.870 8.418 0.452 1
1 348 . 11 1 1 A 40 40 SER HA H 40 5.420 4.984 0.436 1
1 351 . 11 1 1 A 40 40 SER CA C 40 54.890 56.622 -1.732 1
1 352 . 11 1 1 A 40 40 SER CB C 40 63.790 65.176 -1.386 1
1 353 . 11 1 1 A 40 40 SER N N 40 113.140 115.718 -2.578 1
1 354 . 11 1 1 A 41 41 ILE H H 41 8.410 8.286 0.124 1
1 355 . 11 1 1 A 41 41 ILE HA H 41 4.670 4.938 -0.268 1
1 365 . 11 1 1 A 41 41 ILE CA C 41 57.640 60.377 -2.737 1
1 366 . 11 1 1 A 41 41 ILE CB C 41 38.260 40.833 -2.573 1
1 370 . 11 1 1 A 41 41 ILE N N 41 118.020 123.393 -5.373 1
1 371 . 11 1 1 A 42 42 TRP H H 42 9.580 8.183 1.397 1
1 372 . 11 1 1 A 42 42 TRP HA H 42 4.870 5.946 -1.076 1
1 375 . 11 1 1 A 42 42 TRP CA C 42 56.240 54.733 1.507 1
1 376 . 11 1 1 A 42 42 TRP CB C 42 27.690 32.513 -4.823 1
1 377 . 11 1 1 A 42 42 TRP N N 42 126.430 125.683 0.747 1
1 378 . 11 1 1 A 43 43 THR H H 43 8.370 9.010 -0.640 1
1 379 . 11 1 1 A 43 43 THR HA H 43 3.800 5.008 -1.208 1
1 384 . 11 1 1 A 43 43 THR CA C 43 59.210 60.249 -1.039 1
1 385 . 11 1 1 A 43 43 THR CB C 43 67.070 71.772 -4.702 1
1 387 . 11 1 1 A 43 43 THR N N 43 112.460 113.349 -0.889 1
1 388 . 11 1 1 A 44 44 ARG HA H 44 3.910 4.711 -0.801 1
1 395 . 11 1 1 A 44 44 ARG CA C 44 57.190 54.979 2.211 1
1 396 . 11 1 1 A 44 44 ARG CB C 44 27.710 30.197 -2.487 1
1 399 . 11 1 1 A 45 45 GLU H H 45 8.260 8.380 -0.120 1
1 400 . 11 1 1 A 45 45 GLU HA H 45 4.160 4.636 -0.476 1
1 405 . 11 1 1 A 45 45 GLU CA C 45 54.510 58.062 -3.552 1
1 406 . 11 1 1 A 45 45 GLU CB C 45 27.510 32.071 -4.561 1
1 408 . 11 1 1 A 45 45 GLU N N 45 113.080 120.291 -7.211 1
1 409 . 11 1 1 A 46 46 ALA H H 46 7.550 8.153 -0.603 1
1 410 . 11 1 1 A 46 46 ALA HA H 46 3.870 4.159 -0.289 1
1 414 . 11 1 1 A 46 46 ALA CA C 46 50.350 54.510 -4.160 1
1 415 . 11 1 1 A 46 46 ALA CB C 46 18.120 19.722 -1.602 1
1 416 . 11 1 1 A 46 46 ALA N N 46 119.560 121.397 -1.837 1
1 417 . 11 1 1 A 47 47 GLY H H 47 7.450 7.530 -0.080 1
1 418 . 11 1 1 A 47 47 GLY HA2 H 47 4.180 4.162 0.018 1
1 419 . 11 1 1 A 47 47 GLY HA3 H 47 3.630 4.177 -0.547 1
1 420 . 11 1 1 A 47 47 GLY CA C 47 41.940 44.071 -2.131 1
1 421 . 11 1 1 A 47 47 GLY N N 47 102.870 103.140 -0.270 1
1 422 . 11 1 1 A 48 48 ALA H H 48 8.220 8.289 -0.069 1
1 423 . 11 1 1 A 48 48 ALA HA H 48 4.290 4.513 -0.223 1
1 427 . 11 1 1 A 48 48 ALA CA C 48 49.360 52.862 -3.502 1
1 428 . 11 1 1 A 48 48 ALA CB C 48 16.590 19.064 -2.474 1
1 429 . 11 1 1 A 48 48 ALA N N 48 120.390 123.186 -2.796 1
1 430 . 11 1 1 A 49 49 GLY H H 49 8.000 8.657 -0.657 1
1 431 . 11 1 1 A 49 49 GLY HA2 H 49 3.720 3.162 0.558 1
1 432 . 11 1 1 A 49 49 GLY HA3 H 49 3.720 4.010 -0.290 1
1 433 . 11 1 1 A 49 49 GLY CA C 49 43.000 45.250 -2.250 1
1 434 . 11 1 1 A 49 49 GLY N N 49 106.720 109.002 -2.282 1
1 435 . 11 1 1 A 50 50 GLY H H 50 7.580 8.258 -0.678 1
1 436 . 11 1 1 A 50 50 GLY N N 50 104.780 107.722 -2.942 1
1 437 . 11 1 1 A 51 51 LEU HA H 51 5.300 5.167 0.133 1
1 444 . 11 1 1 A 51 51 LEU CA C 51 50.270 54.062 -3.792 1
1 445 . 11 1 1 A 51 51 LEU CB C 51 42.930 43.521 -0.591 1
1 448 . 11 1 1 A 52 52 SER H H 52 9.110 8.278 0.832 1
1 449 . 11 1 1 A 52 52 SER HA H 52 5.180 5.102 0.078 1
1 452 . 11 1 1 A 52 52 SER CA C 52 53.700 57.127 -3.427 1
1 453 . 11 1 1 A 52 52 SER CB C 52 63.000 64.417 -1.417 1
1 454 . 11 1 1 A 52 52 SER N N 52 117.210 120.457 -3.247 1
1 455 . 11 1 1 A 53 53 ILE H H 53 8.330 8.652 -0.322 1
1 456 . 11 1 1 A 53 53 ILE HA H 53 4.930 5.045 -0.115 1
1 466 . 11 1 1 A 53 53 ILE CA C 53 57.220 60.520 -3.300 1
1 467 . 11 1 1 A 53 53 ILE CB C 53 37.710 40.917 -3.207 1
1 471 . 11 1 1 A 53 53 ILE N N 53 124.030 123.455 0.575 1
1 472 . 11 1 1 A 54 54 ALA H H 54 8.920 8.546 0.374 1
1 473 . 11 1 1 A 54 54 ALA HA H 54 5.390 5.048 0.342 1
1 477 . 11 1 1 A 54 54 ALA CA C 54 47.440 50.262 -2.822 1
1 478 . 11 1 1 A 54 54 ALA CB C 54 19.810 20.536 -0.726 1
1 479 . 11 1 1 A 54 54 ALA N N 54 126.530 130.638 -4.108 1
1 480 . 11 1 1 A 55 55 VAL H H 55 9.010 8.667 0.343 1
1 481 . 11 1 1 A 55 55 VAL HA H 55 4.830 5.205 -0.375 1
1 489 . 11 1 1 A 55 55 VAL CA C 55 58.430 59.744 -1.314 1
1 490 . 11 1 1 A 55 55 VAL CB C 55 31.020 33.701 -2.681 1
1 493 . 11 1 1 A 55 55 VAL N N 55 119.590 118.821 0.769 1
1 494 . 11 1 1 A 56 56 GLU H H 56 9.270 8.858 0.412 1
1 495 . 11 1 1 A 56 56 GLU HA H 56 4.690 5.272 -0.582 1
1 500 . 11 1 1 A 56 56 GLU CA C 56 52.000 55.229 -3.229 1
1 501 . 11 1 1 A 56 56 GLU CB C 56 31.050 33.846 -2.796 1
1 503 . 11 1 1 A 56 56 GLU N N 56 127.360 124.268 3.092 1
1 504 . 11 1 1 A 57 57 GLY H H 57 8.620 8.287 0.333 1
1 505 . 11 1 1 A 57 57 GLY N N 57 108.540 111.427 -2.887 1
1 506 . 11 1 1 A 58 58 PRO HA H 58 4.480 4.340 0.140 1
1 513 . 11 1 1 A 58 58 PRO CA C 58 61.850 64.546 -2.696 1
1 514 . 11 1 1 A 58 58 PRO CB C 58 29.820 32.128 -2.308 1
1 517 . 11 1 1 A 59 59 SER H H 59 7.200 7.763 -0.563 1
1 518 . 11 1 1 A 59 59 SER HA H 59 4.620 4.824 -0.204 1
1 521 . 11 1 1 A 59 59 SER CA C 59 55.050 56.254 -1.204 1
1 522 . 11 1 1 A 59 59 SER CB C 59 63.650 66.542 -2.892 1
1 523 . 11 1 1 A 59 59 SER N N 59 106.970 111.899 -4.929 1
1 524 . 11 1 1 A 60 60 LYS H H 60 8.570 8.563 0.007 1
1 525 . 11 1 1 A 60 60 LYS HA H 60 4.000 4.911 -0.911 1
1 534 . 11 1 1 A 60 60 LYS CA C 60 54.090 55.587 -1.497 1
1 535 . 11 1 1 A 60 60 LYS CB C 60 30.480 33.606 -3.126 1
1 539 . 11 1 1 A 60 60 LYS N N 60 118.890 122.119 -3.229 1
1 540 . 11 1 1 A 61 61 ALA H H 61 8.830 8.817 0.013 1
1 541 . 11 1 1 A 61 61 ALA HA H 61 4.930 4.923 0.007 1
1 545 . 11 1 1 A 61 61 ALA CA C 61 47.980 51.863 -3.883 1
1 546 . 11 1 1 A 61 61 ALA CB C 61 17.500 19.227 -1.727 1
1 547 . 11 1 1 A 61 61 ALA N N 61 127.130 128.254 -1.124 1
1 548 . 11 1 1 A 62 62 GLU H H 62 8.440 8.389 0.051 1
1 549 . 11 1 1 A 62 62 GLU HA H 62 4.610 4.668 -0.058 1
1 554 . 11 1 1 A 62 62 GLU CA C 62 52.800 56.033 -3.233 1
1 555 . 11 1 1 A 62 62 GLU CB C 62 27.620 30.151 -2.531 1
1 557 . 11 1 1 A 62 62 GLU N N 62 121.980 123.261 -1.281 1
1 558 . 11 1 1 A 63 63 ILE H H 63 8.710 8.531 0.179 1
1 559 . 11 1 1 A 63 63 ILE HA H 63 4.710 4.607 0.103 1
1 569 . 11 1 1 A 63 63 ILE CA C 63 58.480 62.290 -3.810 1
1 570 . 11 1 1 A 63 63 ILE CB C 63 37.820 38.596 -0.776 1
1 574 . 11 1 1 A 63 63 ILE N N 63 125.400 125.633 -0.233 1
1 575 . 11 1 1 A 64 64 ALA H H 64 9.350 8.451 0.899 1
1 576 . 11 1 1 A 64 64 ALA HA H 64 5.400 5.176 0.224 1
1 580 . 11 1 1 A 64 64 ALA CA C 64 47.440 50.963 -3.523 1
1 581 . 11 1 1 A 64 64 ALA CB C 64 19.750 24.174 -4.424 1
1 582 . 11 1 1 A 64 64 ALA N N 64 130.180 124.820 5.360 1
1 583 . 11 1 1 A 65 65 PHE H H 65 8.120 8.425 -0.305 1
1 584 . 11 1 1 A 65 65 PHE HA H 65 5.410 5.836 -0.426 1
1 587 . 11 1 1 A 65 65 PHE CA C 65 53.210 55.592 -2.382 1
1 588 . 11 1 1 A 65 65 PHE CB C 65 40.490 42.224 -1.734 1
1 589 . 11 1 1 A 65 65 PHE N N 65 115.800 114.959 0.841 1
1 590 . 11 1 1 A 66 66 GLU H H 66 8.360 9.124 -0.764 1
1 591 . 11 1 1 A 66 66 GLU HA H 66 4.700 4.852 -0.152 1
1 596 . 11 1 1 A 66 66 GLU CA C 66 52.100 55.099 -2.999 1
1 597 . 11 1 1 A 66 66 GLU CB C 66 30.280 33.410 -3.130 1
1 599 . 11 1 1 A 66 66 GLU N N 66 120.390 122.944 -2.554 1
1 600 . 11 1 1 A 67 67 ASP H H 67 8.880 8.946 -0.066 1
1 601 . 11 1 1 A 67 67 ASP HA H 67 5.120 4.774 0.346 1
1 604 . 11 1 1 A 67 67 ASP CA C 67 51.070 54.405 -3.335 1
1 605 . 11 1 1 A 67 67 ASP CB C 67 38.310 41.429 -3.119 1
1 606 . 11 1 1 A 67 67 ASP N N 67 124.860 126.221 -1.361 1
1 607 . 11 1 1 A 68 68 ARG H H 68 8.330 9.091 -0.761 1
1 608 . 11 1 1 A 68 68 ARG HA H 68 4.170 4.483 -0.313 1
1 613 . 11 1 1 A 68 68 ARG CA C 68 54.170 57.179 -3.009 1
1 614 . 11 1 1 A 68 68 ARG CB C 68 27.740 32.998 -5.258 1
1 615 . 11 1 1 A 68 68 ARG N N 68 125.010 122.862 2.148 1
1 616 . 11 1 1 A 69 69 LYS H H 69 7.980 7.834 0.146 1
1 617 . 11 1 1 A 69 69 LYS HA H 69 4.030 4.436 -0.406 1
1 626 . 11 1 1 A 69 69 LYS CA C 69 55.530 55.282 0.248 1
1 627 . 11 1 1 A 69 69 LYS CB C 69 26.220 32.856 -6.636 1
1 631 . 11 1 1 A 69 69 LYS N N 69 118.110 116.442 1.668 1
1 632 . 11 1 1 A 70 70 ASP H H 70 7.930 8.285 -0.355 1
1 633 . 11 1 1 A 70 70 ASP HA H 70 4.330 4.514 -0.184 1
1 636 . 11 1 1 A 70 70 ASP CA C 70 52.540 55.875 -3.335 1
1 637 . 11 1 1 A 70 70 ASP CB C 70 40.020 40.527 -0.507 1
1 638 . 11 1 1 A 70 70 ASP N N 70 116.380 118.145 -1.765 1
1 639 . 11 1 1 A 71 71 GLY H H 71 9.080 9.122 -0.042 1
1 640 . 11 1 1 A 71 71 GLY HA2 H 71 4.200 3.905 0.295 1
1 641 . 11 1 1 A 71 71 GLY HA3 H 71 3.630 3.939 -0.309 1
1 642 . 11 1 1 A 71 71 GLY CA C 71 42.480 45.367 -2.887 1
1 643 . 11 1 1 A 71 71 GLY N N 71 108.240 106.286 1.954 1
1 644 . 11 1 1 A 72 72 SER H H 72 8.400 7.739 0.661 1
1 645 . 11 1 1 A 72 72 SER HA H 72 5.470 4.946 0.524 1
1 648 . 11 1 1 A 72 72 SER CA C 72 54.440 57.556 -3.116 1
1 649 . 11 1 1 A 72 72 SER CB C 72 65.130 65.984 -0.854 1
1 650 . 11 1 1 A 72 72 SER N N 72 116.980 113.758 3.222 1
1 651 . 11 1 1 A 73 73 CYS H H 73 8.810 9.253 -0.443 1
1 652 . 11 1 1 A 73 73 CYS HA H 73 5.210 4.748 0.462 1
1 655 . 11 1 1 A 73 73 CYS CA C 73 53.240 57.928 -4.688 1
1 656 . 11 1 1 A 73 73 CYS CB C 73 28.520 27.555 0.965 1
1 657 . 11 1 1 A 73 73 CYS N N 73 114.140 126.562 -12.422 1
1 658 . 11 1 1 A 74 74 GLY H H 74 8.880 8.869 0.011 1
1 659 . 11 1 1 A 74 74 GLY HA2 H 74 4.540 3.903 0.637 1
1 660 . 11 1 1 A 74 74 GLY HA3 H 74 3.610 3.982 -0.372 1
1 661 . 11 1 1 A 74 74 GLY CA C 74 41.630 45.277 -3.647 1
1 662 . 11 1 1 A 74 74 GLY N N 74 110.010 113.409 -3.399 1
1 663 . 11 1 1 A 75 75 VAL H H 75 8.480 8.345 0.135 1
1 664 . 11 1 1 A 75 75 VAL HA H 75 4.550 5.139 -0.589 1
1 672 . 11 1 1 A 75 75 VAL CA C 75 57.860 60.890 -3.030 1
1 673 . 11 1 1 A 75 75 VAL CB C 75 30.530 33.813 -3.283 1
1 676 . 11 1 1 A 75 75 VAL N N 75 122.510 126.088 -3.578 1
1 677 . 11 1 1 A 76 76 SER H H 76 8.700 9.043 -0.343 1
1 678 . 11 1 1 A 76 76 SER HA H 76 5.540 5.666 -0.126 1
1 681 . 11 1 1 A 76 76 SER CA C 76 53.360 56.471 -3.111 1
1 682 . 11 1 1 A 76 76 SER CB C 76 63.190 65.309 -2.119 1
1 683 . 11 1 1 A 76 76 SER N N 76 118.910 122.695 -3.785 1
1 684 . 11 1 1 A 77 77 TYR H H 77 8.960 8.194 0.766 1
1 685 . 11 1 1 A 77 77 TYR HA H 77 4.420 6.146 -1.726 1
1 688 . 11 1 1 A 77 77 TYR CA C 77 52.780 55.383 -2.603 1
1 689 . 11 1 1 A 77 77 TYR CB C 77 39.950 41.788 -1.838 1
1 690 . 11 1 1 A 77 77 TYR N N 77 118.060 122.611 -4.551 1
1 691 . 11 1 1 A 78 78 VAL H H 78 8.160 8.881 -0.721 1
1 692 . 11 1 1 A 78 78 VAL HA H 78 4.320 4.762 -0.442 1
1 700 . 11 1 1 A 78 78 VAL CA C 78 57.510 59.990 -2.480 1
1 701 . 11 1 1 A 78 78 VAL CB C 78 32.620 33.995 -1.375 1
1 704 . 11 1 1 A 78 78 VAL N N 78 116.800 122.782 -5.982 1
1 705 . 11 1 1 A 79 79 VAL H H 79 8.730 8.672 0.058 1
1 706 . 11 1 1 A 79 79 VAL HA H 79 4.760 4.719 0.041 1
1 714 . 11 1 1 A 79 79 VAL CA C 79 55.750 59.413 -3.663 1
1 715 . 11 1 1 A 79 79 VAL CB C 79 30.530 34.392 -3.862 1
1 718 . 11 1 1 A 79 79 VAL N N 79 119.730 124.986 -5.256 1
1 719 . 11 1 1 A 80 80 GLN H H 80 8.030 9.217 -1.187 1
1 720 . 11 1 1 A 80 80 GLN HA H 80 4.240 4.428 -0.188 1
1 725 . 11 1 1 A 80 80 GLN CA C 80 53.910 56.991 -3.081 1
1 726 . 11 1 1 A 80 80 GLN CB C 80 27.130 30.524 -3.394 1
1 728 . 11 1 1 A 80 80 GLN N N 80 116.150 121.581 -5.431 1
1 729 . 11 1 1 A 81 81 GLU H H 81 7.070 7.949 -0.879 1
1 730 . 11 1 1 A 81 81 GLU HA H 81 5.010 4.913 0.097 1
1 735 . 11 1 1 A 81 81 GLU CA C 81 49.600 54.135 -4.535 1
1 736 . 11 1 1 A 81 81 GLU CB C 81 29.410 32.475 -3.065 1
1 738 . 11 1 1 A 81 81 GLU N N 81 113.990 114.655 -0.665 1
1 739 . 11 1 1 A 82 82 PRO HA H 82 5.040 4.404 0.636 1
1 746 . 11 1 1 A 82 82 PRO CA C 82 59.910 63.744 -3.834 1
1 747 . 11 1 1 A 82 82 PRO CB C 82 29.280 32.433 -3.153 1
1 750 . 11 1 1 A 83 83 GLY H H 83 8.840 7.812 1.028 1
1 751 . 11 1 1 A 83 83 GLY CA C 83 41.780 44.382 -2.602 1
1 752 . 11 1 1 A 83 83 GLY N N 83 104.910 107.463 -2.553 1
1 753 . 11 1 1 A 84 84 ASP H H 84 8.250 8.364 -0.114 1
1 754 . 11 1 1 A 84 84 ASP HA H 84 5.260 5.059 0.201 1
1 757 . 11 1 1 A 84 84 ASP CA C 84 51.540 53.106 -1.566 1
1 758 . 11 1 1 A 84 84 ASP CB C 84 38.700 40.636 -1.936 1
1 759 . 11 1 1 A 84 84 ASP N N 84 118.800 120.505 -1.705 1
1 760 . 11 1 1 A 85 85 TYR H H 85 8.810 8.467 0.343 1
1 761 . 11 1 1 A 85 85 TYR HA H 85 3.970 4.881 -0.911 1
1 764 . 11 1 1 A 85 85 TYR CA C 85 53.930 59.495 -5.565 1
1 765 . 11 1 1 A 85 85 TYR CB C 85 37.760 39.706 -1.946 1
1 766 . 11 1 1 A 85 85 TYR N N 85 121.630 124.488 -2.858 1
1 767 . 11 1 1 A 86 86 GLU H H 86 9.320 8.983 0.337 1
1 768 . 11 1 1 A 86 86 GLU HA H 86 5.260 4.913 0.347 1
1 773 . 11 1 1 A 86 86 GLU CA C 86 52.350 55.077 -2.727 1
1 774 . 11 1 1 A 86 86 GLU CB C 86 30.070 31.477 -1.407 1
1 776 . 11 1 1 A 86 86 GLU N N 86 120.420 123.075 -2.655 1
1 777 . 11 1 1 A 87 87 VAL H H 87 9.810 8.223 1.587 1
1 778 . 11 1 1 A 87 87 VAL HA H 87 4.990 5.032 -0.042 1
1 786 . 11 1 1 A 87 87 VAL CA C 87 58.590 58.898 -0.308 1
1 787 . 11 1 1 A 87 87 VAL CB C 87 30.210 34.479 -4.269 1
1 790 . 11 1 1 A 87 87 VAL N N 87 129.200 123.509 5.691 1
1 791 . 11 1 1 A 88 88 SER H H 88 9.560 8.392 1.168 1
1 792 . 11 1 1 A 88 88 SER HA H 88 5.170 4.916 0.254 1
1 795 . 11 1 1 A 88 88 SER CA C 88 55.170 56.799 -1.629 1
1 796 . 11 1 1 A 88 88 SER CB C 88 62.790 64.104 -1.314 1
1 797 . 11 1 1 A 88 88 SER N N 88 121.730 122.856 -1.126 1
1 798 . 11 1 1 A 89 89 ILE H H 89 9.570 10.535 -0.965 1
1 799 . 11 1 1 A 89 89 ILE HA H 89 4.920 5.349 -0.429 1
1 809 . 11 1 1 A 89 89 ILE CA C 89 57.020 59.039 -2.019 1
1 810 . 11 1 1 A 89 89 ILE CB C 89 38.120 40.241 -2.121 1
1 814 . 11 1 1 A 89 89 ILE N N 89 125.650 123.595 2.055 1
1 815 . 11 1 1 A 90 90 LYS H H 90 8.760 8.570 0.190 1
1 816 . 11 1 1 A 90 90 LYS HA H 90 5.130 5.341 -0.211 1
1 825 . 11 1 1 A 90 90 LYS CA C 90 50.980 54.914 -3.934 1
1 826 . 11 1 1 A 90 90 LYS CB C 90 33.850 36.116 -2.266 1
1 830 . 11 1 1 A 90 90 LYS N N 90 122.170 123.856 -1.686 1
1 831 . 11 1 1 A 91 91 PHE H H 91 9.040 8.427 0.613 1
1 832 . 11 1 1 A 91 91 PHE HA H 91 5.330 4.725 0.605 1
1 835 . 11 1 1 A 91 91 PHE CA C 91 53.190 57.326 -4.136 1
1 836 . 11 1 1 A 91 91 PHE CB C 91 40.200 39.520 0.680 1
1 837 . 11 1 1 A 91 91 PHE N N 91 120.990 125.236 -4.246 1
1 838 . 11 1 1 A 92 92 ASN H H 92 9.210 9.832 -0.622 1
1 839 . 11 1 1 A 92 92 ASN HA H 92 4.220 4.227 -0.007 1
1 842 . 11 1 1 A 92 92 ASN CA C 92 51.480 53.908 -2.428 1
1 843 . 11 1 1 A 92 92 ASN CB C 92 33.610 36.932 -3.322 1
1 844 . 11 1 1 A 92 92 ASN N N 92 127.010 124.963 2.047 1
1 845 . 11 1 1 A 93 93 ASP H H 93 8.760 8.489 0.271 1
1 846 . 11 1 1 A 93 93 ASP HA H 93 3.970 4.219 -0.249 1
1 849 . 11 1 1 A 93 93 ASP CA C 93 53.920 56.055 -2.135 1
1 850 . 11 1 1 A 93 93 ASP CB C 93 38.060 39.015 -0.955 1
1 851 . 11 1 1 A 93 93 ASP N N 93 107.220 110.693 -3.473 1
1 852 . 11 1 1 A 94 94 GLU H H 94 7.500 8.141 -0.641 1
1 853 . 11 1 1 A 94 94 GLU HA H 94 4.700 4.624 0.076 1
1 857 . 11 1 1 A 94 94 GLU CA C 94 51.940 55.020 -3.080 1
1 858 . 11 1 1 A 94 94 GLU CB C 94 29.680 28.016 1.664 1
1 860 . 11 1 1 A 94 94 GLU N N 94 117.830 118.788 -0.958 1
1 861 . 11 1 1 A 95 95 HIS H H 95 8.770 8.241 0.529 1
1 862 . 11 1 1 A 95 95 HIS HA H 95 4.480 4.664 -0.184 1
1 865 . 11 1 1 A 95 95 HIS CA C 95 56.530 55.682 0.848 1
1 866 . 11 1 1 A 95 95 HIS CB C 95 29.690 29.729 -0.039 1
1 867 . 11 1 1 A 95 95 HIS N N 95 121.910 120.156 1.754 1
1 868 . 11 1 1 A 96 96 ILE H H 96 8.110 8.549 -0.439 1
1 869 . 11 1 1 A 96 96 ILE HA H 96 4.310 4.428 -0.118 1
1 871 . 11 1 1 A 96 96 ILE CA C 96 57.520 59.855 -2.335 1
1 872 . 11 1 1 A 96 96 ILE CB C 96 32.720 37.590 -4.870 1
1 873 . 11 1 1 A 96 96 ILE N N 96 116.370 120.529 -4.159 1
1 874 . 11 1 1 A 97 97 PRO CA C 97 63.500 65.424 -1.924 1
1 875 . 11 1 1 A 97 97 PRO CB C 97 28.690 31.726 -3.036 1
1 878 . 11 1 1 A 98 98 ASP H H 98 7.940 8.724 -0.784 1
1 879 . 11 1 1 A 98 98 ASP HA H 98 5.010 4.244 0.766 1
1 882 . 11 1 1 A 98 98 ASP CA C 98 54.510 57.456 -2.946 1
1 883 . 11 1 1 A 98 98 ASP CB C 98 37.760 40.540 -2.780 1
1 884 . 11 1 1 A 98 98 ASP N N 98 113.440 118.856 -5.416 1
1 885 . 11 1 1 A 99 99 SER H H 99 7.470 8.180 -0.710 1
1 886 . 11 1 1 A 99 99 SER HA H 99 4.230 4.705 -0.475 1
1 889 . 11 1 1 A 99 99 SER CA C 99 52.370 57.585 -5.215 1
1 890 . 11 1 1 A 99 99 SER CB C 99 60.430 63.546 -3.116 1
1 891 . 11 1 1 A 99 99 SER N N 99 110.680 114.564 -3.884 1
1 892 . 11 1 1 A 100 100 PRO HA H 100 4.550 5.127 -0.577 1
1 899 . 11 1 1 A 100 100 PRO CA C 100 59.920 62.376 -2.456 1
1 900 . 11 1 1 A 100 100 PRO CB C 100 31.880 31.854 0.026 1
1 903 . 11 1 1 A 101 101 PHE H H 101 9.270 8.173 1.097 1
1 904 . 11 1 1 A 101 101 PHE HA H 101 4.560 5.340 -0.780 1
1 907 . 11 1 1 A 101 101 PHE CA C 101 54.060 55.193 -1.133 1
1 908 . 11 1 1 A 101 101 PHE CB C 101 37.930 42.128 -4.198 1
1 909 . 11 1 1 A 101 101 PHE N N 101 119.180 118.500 0.680 1
1 910 . 11 1 1 A 102 102 VAL H H 102 8.760 8.643 0.117 1
1 911 . 11 1 1 A 102 102 VAL HA H 102 4.580 4.758 -0.178 1
1 919 . 11 1 1 A 102 102 VAL CA C 102 60.400 60.412 -0.012 1
1 920 . 11 1 1 A 102 102 VAL CB C 102 28.970 33.543 -4.573 1
1 923 . 11 1 1 A 102 102 VAL N N 102 123.120 121.176 1.944 1
1 924 . 11 1 1 A 103 103 VAL H H 103 9.520 9.786 -0.266 1
1 925 . 11 1 1 A 103 103 VAL HA H 103 4.390 4.790 -0.400 1
1 933 . 11 1 1 A 103 103 VAL CA C 103 57.200 59.323 -2.123 1
1 934 . 11 1 1 A 103 103 VAL CB C 103 32.060 32.878 -0.818 1
1 937 . 11 1 1 A 103 103 VAL N N 103 130.330 128.197 2.133 1
1 938 . 11 1 1 A 104 104 PRO HA H 104 4.370 4.701 -0.331 1
1 941 . 11 1 1 A 104 104 PRO CA C 104 60.240 62.803 -2.563 1
1 942 . 11 1 1 A 104 104 PRO CB C 104 29.660 31.947 -2.287 1
1 945 . 11 1 1 A 105 105 VAL H H 105 9.300 8.446 0.854 1
1 946 . 11 1 1 A 105 105 VAL HA H 105 4.300 4.821 -0.521 1
1 954 . 11 1 1 A 105 105 VAL CA C 105 59.210 61.589 -2.379 1
1 955 . 11 1 1 A 105 105 VAL CB C 105 28.840 33.222 -4.382 1
1 958 . 11 1 1 A 105 105 VAL N N 105 126.320 124.498 1.822 1
1 959 . 11 1 1 A 106 106 ALA H H 106 8.360 9.366 -1.006 1
1 960 . 11 1 1 A 106 106 ALA HA H 106 4.660 5.214 -0.554 1
1 964 . 11 1 1 A 106 106 ALA CA C 106 48.340 50.536 -2.196 1
1 965 . 11 1 1 A 106 106 ALA CB C 106 18.960 22.927 -3.967 1
1 966 . 11 1 1 A 106 106 ALA N N 106 130.550 128.745 1.805 1
1 967 . 11 1 1 A 107 107 SER H H 107 8.590 8.828 -0.238 1
1 968 . 11 1 1 A 107 107 SER HA H 107 4.490 4.664 -0.174 1
1 971 . 11 1 1 A 107 107 SER CA C 107 55.570 57.193 -1.623 1
1 972 . 11 1 1 A 107 107 SER CB C 107 61.760 61.629 0.131 1
1 973 . 11 1 1 A 107 107 SER N N 107 112.340 118.669 -6.329 1
1 974 . 11 1 1 A 108 108 LEU H H 108 8.660 8.022 0.638 1
1 975 . 11 1 1 A 108 108 LEU HA H 108 4.300 4.166 0.134 1
1 985 . 11 1 1 A 108 108 LEU CA C 108 53.250 56.308 -3.058 1
1 986 . 11 1 1 A 108 108 LEU CB C 108 39.650 42.010 -2.360 1
1 990 . 11 1 1 A 108 108 LEU N N 108 123.200 120.096 3.104 1
1 991 . 11 1 1 A 109 109 SER H H 109 8.210 8.221 -0.011 1
1 992 . 11 1 1 A 109 109 SER HA H 109 4.370 4.376 -0.006 1
1 995 . 11 1 1 A 109 109 SER CA C 109 55.810 61.278 -5.468 1
1 996 . 11 1 1 A 109 109 SER CB C 109 61.240 63.568 -2.328 1
1 997 . 11 1 1 A 109 109 SER N N 109 114.710 116.320 -1.610 1
1 998 . 11 1 1 A 110 110 ASP H H 110 8.240 8.250 -0.010 1
1 999 . 11 1 1 A 110 110 ASP HA H 110 4.500 4.323 0.177 1
1 1002 . 11 1 1 A 110 110 ASP CA C 110 52.740 55.411 -2.671 1
1 1003 . 11 1 1 A 110 110 ASP CB C 110 38.260 40.200 -1.940 1
1 1004 . 11 1 1 A 110 110 ASP N N 110 121.030 119.702 1.328 1
1 1005 . 11 1 1 A 111 111 ASP H H 111 8.210 7.963 0.247 1
1 1006 . 11 1 1 A 111 111 ASP HA H 111 4.500 4.895 -0.395 1
1 1009 . 11 1 1 A 111 111 ASP CA C 111 52.770 55.043 -2.273 1
1 1010 . 11 1 1 A 111 111 ASP CB C 111 38.290 43.883 -5.593 1
1 1011 . 11 1 1 A 111 111 ASP N N 111 118.910 118.961 -0.051 1
1 1012 . 11 1 1 A 112 112 ALA H H 112 8.050 7.924 0.126 1
1 1013 . 11 1 1 A 112 112 ALA HA H 112 4.170 4.013 0.157 1
1 1017 . 11 1 1 A 112 112 ALA CA C 112 50.710 52.830 -2.120 1
1 1018 . 11 1 1 A 112 112 ALA CB C 112 16.110 17.784 -1.674 1
1 1019 . 11 1 1 A 112 112 ALA N N 112 121.600 120.750 0.850 1
1 1020 . 11 1 1 A 113 113 ARG H H 113 7.960 8.196 -0.236 1
1 1021 . 11 1 1 A 113 113 ARG HA H 113 4.030 4.418 -0.388 1
1 1027 . 11 1 1 A 113 113 ARG CA C 113 55.200 55.212 -0.012 1
1 1028 . 11 1 1 A 113 113 ARG CB C 113 27.730 31.869 -4.139 1
1 1031 . 11 1 1 A 113 113 ARG N N 113 116.640 123.592 -6.952 1
1 1032 . 11 1 1 A 114 114 ARG H H 114 7.930 8.511 -0.581 1
1 1033 . 11 1 1 A 114 114 ARG HA H 114 4.000 4.609 -0.609 1
1 1040 . 11 1 1 A 114 114 ARG CA C 114 53.940 55.727 -1.787 1
1 1041 . 11 1 1 A 114 114 ARG CB C 114 30.550 32.555 -2.005 1
1 1044 . 11 1 1 A 114 114 ARG N N 114 116.380 121.687 -5.307 1
1 1045 . 11 1 1 A 115 115 LEU H H 115 8.000 7.911 0.089 1
1 1046 . 11 1 1 A 115 115 LEU HA H 115 4.320 4.422 -0.102 1
1 1056 . 11 1 1 A 115 115 LEU CA C 115 52.870 55.855 -2.985 1
1 1057 . 11 1 1 A 115 115 LEU CB C 115 39.640 44.173 -4.533 1
1 1061 . 11 1 1 A 115 115 LEU N N 115 120.260 119.116 1.144 1
1 1062 . 11 1 1 A 116 116 THR H H 116 7.970 7.723 0.247 1
1 1063 . 11 1 1 A 116 116 THR HA H 116 4.390 4.436 -0.046 1
1 1068 . 11 1 1 A 116 116 THR CA C 116 59.270 63.228 -3.958 1
1 1069 . 11 1 1 A 116 116 THR CB C 116 67.420 69.640 -2.220 1
1 1071 . 11 1 1 A 116 116 THR N N 116 113.250 110.815 2.435 1
1 1072 . 11 1 1 A 117 117 VAL H H 117 8.070 8.109 -0.039 1
1 1073 . 11 1 1 A 117 117 VAL HA H 117 4.330 3.946 0.384 1
1 1078 . 11 1 1 A 117 117 VAL CA C 117 60.230 65.390 -5.160 1
1 1079 . 11 1 1 A 117 117 VAL CB C 117 30.360 31.799 -1.439 1
1 1081 . 11 1 1 A 117 117 VAL N N 117 120.990 122.556 -1.566 1
1 1082 . 11 1 1 A 118 118 THR H H 118 8.210 8.019 0.191 1
1 1083 . 11 1 1 A 118 118 THR HA H 118 4.380 3.942 0.438 1
1 1088 . 11 1 1 A 118 118 THR CA C 118 58.770 63.117 -4.347 1
1 1089 . 11 1 1 A 118 118 THR CB C 118 67.420 67.661 -0.241 1
1 1091 . 11 1 1 A 118 118 THR N N 118 116.420 116.352 0.068 1
1 1098 . 11 2 2 B 6 6 GLU H H 6 8.780 8.599 0.181 1
1 1099 . 11 2 2 B 6 6 GLU HA H 6 4.160 4.723 -0.563 1
1 1104 . 11 2 2 B 8 8 ARG H H 8 8.200 8.551 -0.351 1
1 1105 . 11 2 2 B 8 8 ARG HA H 8 4.210 4.432 -0.222 1
1 1111 . 11 2 2 B 9 9 VAL H H 9 9.000 8.369 0.631 1
1 1112 . 11 2 2 B 9 9 VAL HA H 9 4.070 4.113 -0.043 1
1 1123 . 11 2 2 B 11 11 SER H H 11 8.490 8.821 -0.331 1
1 1126 . 11 2 2 B 12 12 SER HA H 12 4.410 5.315 -0.905 1
1 1129 . 11 2 2 B 13 13 VAL H H 13 8.800 8.689 0.111 1
1 1130 . 11 2 2 B 13 13 VAL HA H 13 4.010 4.835 -0.825 1
1 1138 . 11 2 2 B 14 14 PHE HA H 14 4.620 5.112 -0.492 1
1 1143 . 11 2 2 B 15 15 ILE H H 15 8.710 8.814 -0.104 1
1 1144 . 11 2 2 B 15 15 ILE HA H 15 4.140 4.569 -0.429 1
1 1154 . 11 2 2 B 16 16 THR HA H 16 4.220 5.196 -0.976 1
1 1159 . 11 2 2 B 17 17 LEU H H 17 8.270 9.029 -0.759 1
1 1160 . 11 2 2 B 17 17 LEU HA H 17 4.130 5.077 -0.947 1
1 1170 . 11 2 2 B 18 18 ALA HA H 18 4.500 4.746 -0.246 1
1 4 . 12 1 1 A 2 2 ILE H H 2 8.800 7.894 0.906 1
1 5 . 12 1 1 A 2 2 ILE N N 2 126.630 119.696 6.934 1
1 6 . 12 1 1 A 3 3 PRO HA H 3 4.360 4.350 0.010 1
1 13 . 12 1 1 A 3 3 PRO CA C 3 60.670 66.202 -5.532 1
1 14 . 12 1 1 A 3 3 PRO CB C 3 29.390 31.324 -1.934 1
1 17 . 12 1 1 A 4 4 GLU H H 4 8.270 8.157 0.113 1
1 18 . 12 1 1 A 4 4 GLU HA H 4 4.360 4.091 0.269 1
1 23 . 12 1 1 A 4 4 GLU CA C 4 53.690 58.063 -4.373 1
1 24 . 12 1 1 A 4 4 GLU CB C 4 29.430 29.491 -0.061 1
1 26 . 12 1 1 A 4 4 GLU N N 4 119.290 118.196 1.094 1
1 27 . 12 1 1 A 5 5 PHE H H 5 8.810 8.140 0.670 1
1 28 . 12 1 1 A 5 5 PHE N N 5 126.600 118.149 8.451 1
1 29 . 12 1 1 A 6 6 PHE H H 6 8.070 8.421 -0.351 1
1 30 . 12 1 1 A 6 6 PHE HA H 6 4.650 4.484 0.166 1
1 33 . 12 1 1 A 6 6 PHE CA C 6 54.920 58.864 -3.944 1
1 34 . 12 1 1 A 6 6 PHE CB C 6 37.190 39.225 -2.035 1
1 35 . 12 1 1 A 6 6 PHE N N 6 120.380 118.726 1.654 1
1 36 . 12 1 1 A 7 7 GLN H H 7 7.980 9.147 -1.167 1
1 37 . 12 1 1 A 7 7 GLN HA H 7 4.430 4.336 0.094 1
1 42 . 12 1 1 A 7 7 GLN CA C 7 54.860 57.296 -2.436 1
1 43 . 12 1 1 A 7 7 GLN CB C 7 26.570 28.543 -1.973 1
1 45 . 12 1 1 A 7 7 GLN N N 7 119.930 119.726 0.204 1
1 46 . 12 1 1 A 8 8 PHE H H 8 8.030 8.298 -0.268 1
1 47 . 12 1 1 A 8 8 PHE HA H 8 4.630 4.732 -0.102 1
1 50 . 12 1 1 A 8 8 PHE CA C 8 55.020 58.625 -3.605 1
1 51 . 12 1 1 A 8 8 PHE CB C 8 36.840 41.103 -4.263 1
1 52 . 12 1 1 A 8 8 PHE N N 8 119.560 117.349 2.211 1
1 53 . 12 1 1 A 9 9 THR H H 9 8.040 8.161 -0.121 1
1 54 . 12 1 1 A 9 9 THR HA H 9 4.300 4.472 -0.172 1
1 59 . 12 1 1 A 9 9 THR CA C 9 59.410 62.439 -3.029 1
1 60 . 12 1 1 A 9 9 THR CB C 9 67.440 68.913 -1.473 1
1 62 . 12 1 1 A 9 9 THR N N 9 114.650 113.119 1.531 1
1 63 . 12 1 1 A 10 10 VAL H H 10 8.070 8.070 0.000 1
1 64 . 12 1 1 A 10 10 VAL HA H 10 4.210 3.863 0.347 1
1 72 . 12 1 1 A 10 10 VAL CA C 10 59.470 64.903 -5.433 1
1 73 . 12 1 1 A 10 10 VAL CB C 10 30.180 32.188 -2.008 1
1 75 . 12 1 1 A 10 10 VAL N N 10 120.380 122.045 -1.665 1
1 76 . 12 1 1 A 11 11 GLY H H 11 8.200 7.629 0.571 1
1 77 . 12 1 1 A 11 11 GLY HA2 H 11 4.090 4.070 0.020 1
1 78 . 12 1 1 A 11 11 GLY HA3 H 11 4.000 4.090 -0.090 1
1 79 . 12 1 1 A 11 11 GLY CA C 11 41.420 45.789 -4.369 1
1 80 . 12 1 1 A 11 11 GLY N N 11 110.910 109.219 1.691 1
1 81 . 12 1 1 A 12 12 PRO HA H 12 4.360 4.610 -0.250 1
1 88 . 12 1 1 A 12 12 PRO CA C 12 60.590 63.342 -2.752 1
1 89 . 12 1 1 A 12 12 PRO CB C 12 33.600 31.290 2.310 1
1 92 . 12 1 1 A 13 13 LEU H H 13 8.360 8.749 -0.389 1
1 93 . 12 1 1 A 13 13 LEU HA H 13 4.340 4.186 0.154 1
1 103 . 12 1 1 A 13 13 LEU CA C 13 52.800 55.470 -2.670 1
1 104 . 12 1 1 A 13 13 LEU CB C 13 39.650 39.370 0.280 1
1 108 . 12 1 1 A 13 13 LEU N N 13 120.390 118.757 1.633 1
1 109 . 12 1 1 A 14 14 GLY H H 14 8.240 8.426 -0.186 1
1 110 . 12 1 1 A 14 14 GLY HA2 H 14 3.960 3.864 0.096 1
1 111 . 12 1 1 A 14 14 GLY HA3 H 14 3.660 3.885 -0.225 1
1 112 . 12 1 1 A 14 14 GLY CA C 14 40.240 45.255 -5.015 1
1 113 . 12 1 1 A 14 14 GLY N N 14 107.860 107.841 0.019 1
1 114 . 12 1 1 A 15 15 GLU H H 15 8.250 9.191 -0.941 1
1 115 . 12 1 1 A 15 15 GLU HA H 15 4.360 4.040 0.320 1
1 120 . 12 1 1 A 15 15 GLU CA C 15 53.920 57.695 -3.775 1
1 121 . 12 1 1 A 15 15 GLU CB C 15 27.800 29.053 -1.253 1
1 123 . 12 1 1 A 15 15 GLU N N 15 118.800 119.616 -0.816 1
1 124 . 12 1 1 A 16 16 GLY H H 16 8.460 8.440 0.020 1
1 125 . 12 1 1 A 16 16 GLY HA2 H 16 3.960 4.047 -0.087 1
1 126 . 12 1 1 A 16 16 GLY HA3 H 16 3.880 4.064 -0.184 1
1 127 . 12 1 1 A 16 16 GLY CA C 16 42.490 45.435 -2.945 1
1 128 . 12 1 1 A 16 16 GLY N N 16 108.190 107.124 1.066 1
1 129 . 12 1 1 A 17 17 GLY H H 17 8.300 8.885 -0.585 1
1 130 . 12 1 1 A 17 17 GLY HA2 H 17 4.430 3.929 0.501 1
1 131 . 12 1 1 A 17 17 GLY HA3 H 17 3.780 4.063 -0.283 1
1 132 . 12 1 1 A 17 17 GLY CA C 17 42.550 47.106 -4.556 1
1 133 . 12 1 1 A 17 17 GLY N N 17 105.790 112.531 -6.741 1
1 134 . 12 1 1 A 18 18 ALA H H 18 8.800 8.060 0.740 1
1 135 . 12 1 1 A 18 18 ALA HA H 18 3.760 4.149 -0.389 1
1 139 . 12 1 1 A 18 18 ALA CA C 18 52.780 54.264 -1.484 1
1 140 . 12 1 1 A 18 18 ALA CB C 18 16.810 18.529 -1.719 1
1 141 . 12 1 1 A 18 18 ALA N N 18 120.770 124.498 -3.728 1
1 142 . 12 1 1 A 19 19 HIS H H 19 8.230 7.890 0.340 1
1 143 . 12 1 1 A 19 19 HIS HA H 19 4.410 4.312 0.098 1
1 146 . 12 1 1 A 19 19 HIS CA C 19 54.740 58.581 -3.841 1
1 147 . 12 1 1 A 19 19 HIS CB C 19 26.240 30.398 -4.158 1
1 148 . 12 1 1 A 19 19 HIS N N 19 109.490 118.609 -9.119 1
1 149 . 12 1 1 A 20 20 LYS H H 20 7.570 8.002 -0.432 1
1 150 . 12 1 1 A 20 20 LYS HA H 20 4.170 3.979 0.191 1
1 159 . 12 1 1 A 20 20 LYS CA C 20 52.100 57.381 -5.281 1
1 160 . 12 1 1 A 20 20 LYS CB C 20 29.850 32.309 -2.459 1
1 164 . 12 1 1 A 20 20 LYS N N 20 115.920 115.642 0.278 1
1 165 . 12 1 1 A 21 21 VAL H H 21 7.460 7.480 -0.020 1
1 166 . 12 1 1 A 21 21 VAL HA H 21 4.270 3.782 0.488 1
1 174 . 12 1 1 A 21 21 VAL CA C 21 60.730 61.722 -0.992 1
1 175 . 12 1 1 A 21 21 VAL CB C 21 29.340 32.054 -2.714 1
1 178 . 12 1 1 A 21 21 VAL N N 21 122.030 121.002 1.028 1
1 179 . 12 1 1 A 22 22 ARG H H 22 7.840 7.953 -0.113 1
1 180 . 12 1 1 A 22 22 ARG HA H 22 5.100 4.894 0.206 1
1 187 . 12 1 1 A 22 22 ARG CA C 22 51.230 54.053 -2.823 1
1 188 . 12 1 1 A 22 22 ARG CB C 22 31.930 32.375 -0.445 1
1 191 . 12 1 1 A 22 22 ARG N N 22 121.520 129.723 -8.203 1
1 192 . 12 1 1 A 23 23 ALA H H 23 8.920 8.746 0.174 1
1 193 . 12 1 1 A 23 23 ALA HA H 23 5.580 5.277 0.303 1
1 197 . 12 1 1 A 23 23 ALA CA C 23 47.810 51.324 -3.514 1
1 198 . 12 1 1 A 23 23 ALA CB C 23 21.660 21.489 0.171 1
1 199 . 12 1 1 A 23 23 ALA N N 23 123.300 127.292 -3.992 1
1 200 . 12 1 1 A 24 24 GLY H H 24 8.450 8.531 -0.081 1
1 201 . 12 1 1 A 24 24 GLY HA2 H 24 4.200 4.280 -0.080 1
1 202 . 12 1 1 A 24 24 GLY HA3 H 24 4.160 4.316 -0.156 1
1 203 . 12 1 1 A 24 24 GLY CA C 24 43.560 44.881 -1.321 1
1 204 . 12 1 1 A 24 24 GLY N N 24 104.220 109.773 -5.553 1
1 205 . 12 1 1 A 25 25 GLY H H 25 8.770 8.363 0.407 1
1 206 . 12 1 1 A 25 25 GLY HA2 H 25 4.880 4.317 0.563 1
1 207 . 12 1 1 A 25 25 GLY HA3 H 25 4.050 4.403 -0.353 1
1 208 . 12 1 1 A 25 25 GLY CA C 25 42.110 45.826 -3.716 1
1 209 . 12 1 1 A 25 25 GLY N N 25 109.590 110.428 -0.838 1
1 210 . 12 1 1 A 26 26 THR H H 26 8.620 9.101 -0.481 1
1 211 . 12 1 1 A 26 26 THR HA H 26 4.030 4.035 -0.005 1
1 216 . 12 1 1 A 26 26 THR CA C 26 63.280 65.922 -2.642 1
1 217 . 12 1 1 A 26 26 THR CB C 26 65.990 68.713 -2.723 1
1 219 . 12 1 1 A 26 26 THR N N 26 113.050 113.758 -0.708 1
1 220 . 12 1 1 A 27 27 GLY H H 27 9.040 8.097 0.943 1
1 221 . 12 1 1 A 27 27 GLY HA2 H 27 4.270 4.110 0.160 1
1 222 . 12 1 1 A 27 27 GLY HA3 H 27 3.390 4.284 -0.894 1
1 223 . 12 1 1 A 27 27 GLY CA C 27 44.250 46.834 -2.584 1
1 224 . 12 1 1 A 27 27 GLY N N 27 105.190 108.046 -2.856 1
1 225 . 12 1 1 A 28 28 LEU H H 28 7.450 7.811 -0.361 1
1 226 . 12 1 1 A 28 28 LEU HA H 28 4.210 4.156 0.054 1
1 236 . 12 1 1 A 28 28 LEU CA C 28 51.150 54.783 -3.633 1
1 237 . 12 1 1 A 28 28 LEU CB C 28 37.670 41.289 -3.619 1
1 241 . 12 1 1 A 28 28 LEU N N 28 114.980 120.975 -5.995 1
1 242 . 12 1 1 A 29 29 GLU H H 29 7.980 7.588 0.392 1
1 243 . 12 1 1 A 29 29 GLU HA H 29 4.540 4.475 0.065 1
1 248 . 12 1 1 A 29 29 GLU CA C 29 54.910 57.088 -2.178 1
1 249 . 12 1 1 A 29 29 GLU CB C 29 29.430 32.656 -3.226 1
1 251 . 12 1 1 A 29 29 GLU N N 29 117.810 117.270 0.540 1
1 252 . 12 1 1 A 30 30 ARG H H 30 8.340 7.546 0.794 1
1 253 . 12 1 1 A 30 30 ARG HA H 30 4.720 4.744 -0.024 1
1 260 . 12 1 1 A 30 30 ARG CA C 30 53.350 55.019 -1.669 1
1 261 . 12 1 1 A 30 30 ARG CB C 30 29.440 32.437 -2.997 1
1 264 . 12 1 1 A 30 30 ARG N N 30 112.890 115.067 -2.177 1
1 265 . 12 1 1 A 31 31 GLY H H 31 8.100 8.120 -0.020 1
1 266 . 12 1 1 A 31 31 GLY HA2 H 31 4.540 4.415 0.125 1
1 267 . 12 1 1 A 31 31 GLY HA3 H 31 3.610 4.438 -0.828 1
1 268 . 12 1 1 A 31 31 GLY CA C 31 41.630 45.421 -3.791 1
1 269 . 12 1 1 A 31 31 GLY N N 31 103.670 106.392 -2.722 1
1 270 . 12 1 1 A 32 32 VAL H H 32 9.410 8.452 0.958 1
1 271 . 12 1 1 A 32 32 VAL HA H 32 4.450 5.084 -0.634 1
1 279 . 12 1 1 A 32 32 VAL CA C 32 58.730 59.967 -1.237 1
1 280 . 12 1 1 A 32 32 VAL CB C 32 32.560 35.806 -3.246 1
1 283 . 12 1 1 A 32 32 VAL N N 32 122.160 120.413 1.747 1
1 284 . 12 1 1 A 33 33 ALA H H 33 8.560 8.513 0.047 1
1 285 . 12 1 1 A 33 33 ALA HA H 33 3.620 3.970 -0.350 1
1 289 . 12 1 1 A 33 33 ALA CA C 33 50.860 53.998 -3.138 1
1 290 . 12 1 1 A 33 33 ALA CB C 33 14.450 18.625 -4.175 1
1 291 . 12 1 1 A 33 33 ALA N N 33 129.490 128.840 0.650 1
1 292 . 12 1 1 A 34 34 GLY H H 34 8.590 8.793 -0.203 1
1 293 . 12 1 1 A 34 34 GLY HA2 H 34 4.320 3.877 0.443 1
1 294 . 12 1 1 A 34 34 GLY HA3 H 34 3.420 3.887 -0.467 1
1 295 . 12 1 1 A 34 34 GLY CA C 34 42.710 47.116 -4.406 1
1 296 . 12 1 1 A 34 34 GLY N N 34 106.900 111.662 -4.762 1
1 297 . 12 1 1 A 35 35 VAL H H 35 7.840 7.290 0.550 1
1 298 . 12 1 1 A 35 35 VAL HA H 35 4.450 4.386 0.064 1
1 306 . 12 1 1 A 35 35 VAL CA C 35 56.660 58.931 -2.271 1
1 307 . 12 1 1 A 35 35 VAL CB C 35 32.030 35.324 -3.294 1
1 310 . 12 1 1 A 35 35 VAL N N 35 121.520 119.441 2.079 1
1 311 . 12 1 1 A 36 36 PRO HA H 36 4.260 4.361 -0.101 1
1 318 . 12 1 1 A 36 36 PRO CA C 36 60.720 62.860 -2.140 1
1 319 . 12 1 1 A 36 36 PRO CB C 36 28.760 31.922 -3.162 1
1 322 . 12 1 1 A 37 37 ALA H H 37 8.920 8.183 0.737 1
1 323 . 12 1 1 A 37 37 ALA HA H 37 4.490 4.994 -0.504 1
1 327 . 12 1 1 A 37 37 ALA CA C 37 47.550 50.302 -2.752 1
1 328 . 12 1 1 A 37 37 ALA CB C 37 17.110 23.668 -6.558 1
1 329 . 12 1 1 A 37 37 ALA N N 37 129.160 123.621 5.539 1
1 330 . 12 1 1 A 38 38 GLU H H 38 8.470 9.039 -0.569 1
1 331 . 12 1 1 A 38 38 GLU HA H 38 4.330 5.450 -1.120 1
1 336 . 12 1 1 A 38 38 GLU CA C 38 52.150 55.307 -3.157 1
1 337 . 12 1 1 A 38 38 GLU CB C 38 31.010 33.668 -2.658 1
1 339 . 12 1 1 A 38 38 GLU N N 38 117.150 115.978 1.172 1
1 340 . 12 1 1 A 39 39 PHE H H 39 8.870 8.062 0.808 1
1 341 . 12 1 1 A 39 39 PHE HA H 39 4.520 5.449 -0.929 1
1 344 . 12 1 1 A 39 39 PHE CA C 39 54.670 55.541 -0.871 1
1 345 . 12 1 1 A 39 39 PHE CB C 39 37.170 41.818 -4.648 1
1 346 . 12 1 1 A 39 39 PHE N N 39 115.740 117.972 -2.232 1
1 347 . 12 1 1 A 40 40 SER H H 40 8.870 8.824 0.046 1
1 348 . 12 1 1 A 40 40 SER HA H 40 5.420 5.423 -0.003 1
1 351 . 12 1 1 A 40 40 SER CA C 40 54.890 55.875 -0.985 1
1 352 . 12 1 1 A 40 40 SER CB C 40 63.790 66.533 -2.743 1
1 353 . 12 1 1 A 40 40 SER N N 40 113.140 113.330 -0.190 1
1 354 . 12 1 1 A 41 41 ILE H H 41 8.410 8.866 -0.456 1
1 355 . 12 1 1 A 41 41 ILE HA H 41 4.670 4.996 -0.326 1
1 365 . 12 1 1 A 41 41 ILE CA C 41 57.640 60.317 -2.677 1
1 366 . 12 1 1 A 41 41 ILE CB C 41 38.260 41.320 -3.060 1
1 370 . 12 1 1 A 41 41 ILE N N 41 118.020 122.119 -4.099 1
1 371 . 12 1 1 A 42 42 TRP H H 42 9.580 8.150 1.430 1
1 372 . 12 1 1 A 42 42 TRP HA H 42 4.870 6.003 -1.133 1
1 375 . 12 1 1 A 42 42 TRP CA C 42 56.240 54.769 1.471 1
1 376 . 12 1 1 A 42 42 TRP CB C 42 27.690 33.179 -5.489 1
1 377 . 12 1 1 A 42 42 TRP N N 42 126.430 125.367 1.063 1
1 378 . 12 1 1 A 43 43 THR H H 43 8.370 8.828 -0.458 1
1 379 . 12 1 1 A 43 43 THR HA H 43 3.800 4.556 -0.756 1
1 384 . 12 1 1 A 43 43 THR CA C 43 59.210 60.351 -1.141 1
1 385 . 12 1 1 A 43 43 THR CB C 43 67.070 70.787 -3.717 1
1 387 . 12 1 1 A 43 43 THR N N 43 112.460 115.109 -2.649 1
1 388 . 12 1 1 A 44 44 ARG HA H 44 3.910 4.747 -0.837 1
1 395 . 12 1 1 A 44 44 ARG CA C 44 57.190 55.714 1.476 1
1 396 . 12 1 1 A 44 44 ARG CB C 44 27.710 30.519 -2.809 1
1 399 . 12 1 1 A 45 45 GLU H H 45 8.260 8.324 -0.064 1
1 400 . 12 1 1 A 45 45 GLU HA H 45 4.160 4.620 -0.460 1
1 405 . 12 1 1 A 45 45 GLU CA C 45 54.510 58.046 -3.536 1
1 406 . 12 1 1 A 45 45 GLU CB C 45 27.510 32.000 -4.490 1
1 408 . 12 1 1 A 45 45 GLU N N 45 113.080 124.819 -11.739 1
1 409 . 12 1 1 A 46 46 ALA H H 46 7.550 8.093 -0.543 1
1 410 . 12 1 1 A 46 46 ALA HA H 46 3.870 4.136 -0.266 1
1 414 . 12 1 1 A 46 46 ALA CA C 46 50.350 53.980 -3.630 1
1 415 . 12 1 1 A 46 46 ALA CB C 46 18.120 19.626 -1.506 1
1 416 . 12 1 1 A 46 46 ALA N N 46 119.560 121.379 -1.819 1
1 417 . 12 1 1 A 47 47 GLY H H 47 7.450 7.795 -0.345 1
1 418 . 12 1 1 A 47 47 GLY HA2 H 47 4.180 4.132 0.048 1
1 419 . 12 1 1 A 47 47 GLY HA3 H 47 3.630 4.135 -0.505 1
1 420 . 12 1 1 A 47 47 GLY CA C 47 41.940 43.781 -1.841 1
1 421 . 12 1 1 A 47 47 GLY N N 47 102.870 104.025 -1.155 1
1 422 . 12 1 1 A 48 48 ALA H H 48 8.220 8.183 0.037 1
1 423 . 12 1 1 A 48 48 ALA HA H 48 4.290 4.433 -0.143 1
1 427 . 12 1 1 A 48 48 ALA CA C 48 49.360 52.773 -3.413 1
1 428 . 12 1 1 A 48 48 ALA CB C 48 16.590 19.525 -2.935 1
1 429 . 12 1 1 A 48 48 ALA N N 48 120.390 123.372 -2.982 1
1 430 . 12 1 1 A 49 49 GLY H H 49 8.000 8.348 -0.348 1
1 431 . 12 1 1 A 49 49 GLY HA2 H 49 3.720 3.639 0.081 1
1 432 . 12 1 1 A 49 49 GLY HA3 H 49 3.720 4.092 -0.372 1
1 433 . 12 1 1 A 49 49 GLY CA C 49 43.000 45.873 -2.873 1
1 434 . 12 1 1 A 49 49 GLY N N 49 106.720 107.465 -0.745 1
1 435 . 12 1 1 A 50 50 GLY H H 50 7.580 7.854 -0.274 1
1 436 . 12 1 1 A 50 50 GLY N N 50 104.780 108.789 -4.009 1
1 437 . 12 1 1 A 51 51 LEU HA H 51 5.300 5.261 0.039 1
1 444 . 12 1 1 A 51 51 LEU CA C 51 50.270 53.901 -3.631 1
1 445 . 12 1 1 A 51 51 LEU CB C 51 42.930 44.014 -1.084 1
1 448 . 12 1 1 A 52 52 SER H H 52 9.110 8.254 0.856 1
1 449 . 12 1 1 A 52 52 SER HA H 52 5.180 4.838 0.342 1
1 452 . 12 1 1 A 52 52 SER CA C 52 53.700 58.713 -5.013 1
1 453 . 12 1 1 A 52 52 SER CB C 52 63.000 63.914 -0.914 1
1 454 . 12 1 1 A 52 52 SER N N 52 117.210 124.246 -7.036 1
1 455 . 12 1 1 A 53 53 ILE H H 53 8.330 8.701 -0.371 1
1 456 . 12 1 1 A 53 53 ILE HA H 53 4.930 4.943 -0.013 1
1 466 . 12 1 1 A 53 53 ILE CA C 53 57.220 60.499 -3.279 1
1 467 . 12 1 1 A 53 53 ILE CB C 53 37.710 41.007 -3.297 1
1 471 . 12 1 1 A 53 53 ILE N N 53 124.030 124.336 -0.306 1
1 472 . 12 1 1 A 54 54 ALA H H 54 8.920 8.649 0.271 1
1 473 . 12 1 1 A 54 54 ALA HA H 54 5.390 5.010 0.380 1
1 477 . 12 1 1 A 54 54 ALA CA C 54 47.440 50.250 -2.810 1
1 478 . 12 1 1 A 54 54 ALA CB C 54 19.810 20.455 -0.645 1
1 479 . 12 1 1 A 54 54 ALA N N 54 126.530 130.447 -3.917 1
1 480 . 12 1 1 A 55 55 VAL H H 55 9.010 8.825 0.185 1
1 481 . 12 1 1 A 55 55 VAL HA H 55 4.830 5.270 -0.440 1
1 489 . 12 1 1 A 55 55 VAL CA C 55 58.430 59.801 -1.371 1
1 490 . 12 1 1 A 55 55 VAL CB C 55 31.020 34.040 -3.020 1
1 493 . 12 1 1 A 55 55 VAL N N 55 119.590 118.900 0.690 1
1 494 . 12 1 1 A 56 56 GLU H H 56 9.270 8.916 0.354 1
1 495 . 12 1 1 A 56 56 GLU HA H 56 4.690 5.341 -0.651 1
1 500 . 12 1 1 A 56 56 GLU CA C 56 52.000 54.735 -2.735 1
1 501 . 12 1 1 A 56 56 GLU CB C 56 31.050 33.572 -2.522 1
1 503 . 12 1 1 A 56 56 GLU N N 56 127.360 124.406 2.954 1
1 504 . 12 1 1 A 57 57 GLY H H 57 8.620 8.209 0.411 1
1 505 . 12 1 1 A 57 57 GLY N N 57 108.540 111.389 -2.849 1
1 506 . 12 1 1 A 58 58 PRO HA H 58 4.480 4.351 0.129 1
1 513 . 12 1 1 A 58 58 PRO CA C 58 61.850 64.097 -2.247 1
1 514 . 12 1 1 A 58 58 PRO CB C 58 29.820 32.034 -2.214 1
1 517 . 12 1 1 A 59 59 SER H H 59 7.200 7.420 -0.220 1
1 518 . 12 1 1 A 59 59 SER HA H 59 4.620 4.997 -0.377 1
1 521 . 12 1 1 A 59 59 SER CA C 59 55.050 57.568 -2.518 1
1 522 . 12 1 1 A 59 59 SER CB C 59 63.650 67.571 -3.921 1
1 523 . 12 1 1 A 59 59 SER N N 59 106.970 114.300 -7.330 1
1 524 . 12 1 1 A 60 60 LYS H H 60 8.570 8.557 0.013 1
1 525 . 12 1 1 A 60 60 LYS HA H 60 4.000 4.887 -0.887 1
1 534 . 12 1 1 A 60 60 LYS CA C 60 54.090 55.651 -1.561 1
1 535 . 12 1 1 A 60 60 LYS CB C 60 30.480 32.861 -2.381 1
1 539 . 12 1 1 A 60 60 LYS N N 60 118.890 123.046 -4.156 1
1 540 . 12 1 1 A 61 61 ALA H H 61 8.830 8.677 0.153 1
1 541 . 12 1 1 A 61 61 ALA HA H 61 4.930 4.660 0.270 1
1 545 . 12 1 1 A 61 61 ALA CA C 61 47.980 52.515 -4.535 1
1 546 . 12 1 1 A 61 61 ALA CB C 61 17.500 19.081 -1.581 1
1 547 . 12 1 1 A 61 61 ALA N N 61 127.130 129.044 -1.914 1
1 548 . 12 1 1 A 62 62 GLU H H 62 8.440 8.233 0.207 1
1 549 . 12 1 1 A 62 62 GLU HA H 62 4.610 4.406 0.204 1
1 554 . 12 1 1 A 62 62 GLU CA C 62 52.800 57.346 -4.546 1
1 555 . 12 1 1 A 62 62 GLU CB C 62 27.620 30.734 -3.114 1
1 557 . 12 1 1 A 62 62 GLU N N 62 121.980 122.655 -0.675 1
1 558 . 12 1 1 A 63 63 ILE H H 63 8.710 8.638 0.072 1
1 559 . 12 1 1 A 63 63 ILE HA H 63 4.710 5.148 -0.438 1
1 569 . 12 1 1 A 63 63 ILE CA C 63 58.480 59.827 -1.347 1
1 570 . 12 1 1 A 63 63 ILE CB C 63 37.820 42.441 -4.621 1
1 574 . 12 1 1 A 63 63 ILE N N 63 125.400 120.304 5.096 1
1 575 . 12 1 1 A 64 64 ALA H H 64 9.350 8.690 0.660 1
1 576 . 12 1 1 A 64 64 ALA HA H 64 5.400 4.956 0.444 1
1 580 . 12 1 1 A 64 64 ALA CA C 64 47.440 51.187 -3.747 1
1 581 . 12 1 1 A 64 64 ALA CB C 64 19.750 24.032 -4.282 1
1 582 . 12 1 1 A 64 64 ALA N N 64 130.180 124.727 5.453 1
1 583 . 12 1 1 A 65 65 PHE H H 65 8.120 8.511 -0.391 1
1 584 . 12 1 1 A 65 65 PHE HA H 65 5.410 5.782 -0.372 1
1 587 . 12 1 1 A 65 65 PHE CA C 65 53.210 55.599 -2.389 1
1 588 . 12 1 1 A 65 65 PHE CB C 65 40.490 42.477 -1.987 1
1 589 . 12 1 1 A 65 65 PHE N N 65 115.800 115.060 0.740 1
1 590 . 12 1 1 A 66 66 GLU H H 66 8.360 8.947 -0.587 1
1 591 . 12 1 1 A 66 66 GLU HA H 66 4.700 4.848 -0.148 1
1 596 . 12 1 1 A 66 66 GLU CA C 66 52.100 55.087 -2.987 1
1 597 . 12 1 1 A 66 66 GLU CB C 66 30.280 33.183 -2.903 1
1 599 . 12 1 1 A 66 66 GLU N N 66 120.390 121.933 -1.543 1
1 600 . 12 1 1 A 67 67 ASP H H 67 8.880 8.697 0.183 1
1 601 . 12 1 1 A 67 67 ASP HA H 67 5.120 5.243 -0.123 1
1 604 . 12 1 1 A 67 67 ASP CA C 67 51.070 52.819 -1.749 1
1 605 . 12 1 1 A 67 67 ASP CB C 67 38.310 41.705 -3.395 1
1 606 . 12 1 1 A 67 67 ASP N N 67 124.860 126.203 -1.343 1
1 607 . 12 1 1 A 68 68 ARG H H 68 8.330 9.012 -0.682 1
1 608 . 12 1 1 A 68 68 ARG HA H 68 4.170 4.363 -0.193 1
1 613 . 12 1 1 A 68 68 ARG CA C 68 54.170 57.849 -3.679 1
1 614 . 12 1 1 A 68 68 ARG CB C 68 27.740 30.698 -2.958 1
1 615 . 12 1 1 A 68 68 ARG N N 68 125.010 124.560 0.450 1
1 616 . 12 1 1 A 69 69 LYS H H 69 7.980 7.632 0.348 1
1 617 . 12 1 1 A 69 69 LYS HA H 69 4.030 4.489 -0.459 1
1 626 . 12 1 1 A 69 69 LYS CA C 69 55.530 55.060 0.470 1
1 627 . 12 1 1 A 69 69 LYS CB C 69 26.220 33.467 -7.247 1
1 631 . 12 1 1 A 69 69 LYS N N 69 118.110 116.743 1.367 1
1 632 . 12 1 1 A 70 70 ASP H H 70 7.930 8.271 -0.341 1
1 633 . 12 1 1 A 70 70 ASP HA H 70 4.330 4.401 -0.071 1
1 636 . 12 1 1 A 70 70 ASP CA C 70 52.540 55.659 -3.119 1
1 637 . 12 1 1 A 70 70 ASP CB C 70 40.020 40.471 -0.451 1
1 638 . 12 1 1 A 70 70 ASP N N 70 116.380 117.483 -1.103 1
1 639 . 12 1 1 A 71 71 GLY H H 71 9.080 8.250 0.830 1
1 640 . 12 1 1 A 71 71 GLY HA2 H 71 4.200 4.013 0.187 1
1 641 . 12 1 1 A 71 71 GLY HA3 H 71 3.630 4.037 -0.407 1
1 642 . 12 1 1 A 71 71 GLY CA C 71 42.480 45.429 -2.949 1
1 643 . 12 1 1 A 71 71 GLY N N 71 108.240 106.527 1.713 1
1 644 . 12 1 1 A 72 72 SER H H 72 8.400 7.809 0.591 1
1 645 . 12 1 1 A 72 72 SER HA H 72 5.470 4.764 0.706 1
1 648 . 12 1 1 A 72 72 SER CA C 72 54.440 56.961 -2.521 1
1 649 . 12 1 1 A 72 72 SER CB C 72 65.130 63.788 1.342 1
1 650 . 12 1 1 A 72 72 SER N N 72 116.980 116.427 0.553 1
1 651 . 12 1 1 A 73 73 CYS H H 73 8.810 9.514 -0.704 1
1 652 . 12 1 1 A 73 73 CYS HA H 73 5.210 4.608 0.602 1
1 655 . 12 1 1 A 73 73 CYS CA C 73 53.240 58.821 -5.581 1
1 656 . 12 1 1 A 73 73 CYS CB C 73 28.520 28.134 0.386 1
1 657 . 12 1 1 A 73 73 CYS N N 73 114.140 128.246 -14.106 1
1 658 . 12 1 1 A 74 74 GLY H H 74 8.880 9.082 -0.202 1
1 659 . 12 1 1 A 74 74 GLY HA2 H 74 4.540 3.986 0.554 1
1 660 . 12 1 1 A 74 74 GLY HA3 H 74 3.610 4.021 -0.411 1
1 661 . 12 1 1 A 74 74 GLY CA C 74 41.630 45.031 -3.401 1
1 662 . 12 1 1 A 74 74 GLY N N 74 110.010 114.279 -4.269 1
1 663 . 12 1 1 A 75 75 VAL H H 75 8.480 8.576 -0.096 1
1 664 . 12 1 1 A 75 75 VAL HA H 75 4.550 4.739 -0.189 1
1 672 . 12 1 1 A 75 75 VAL CA C 75 57.860 61.142 -3.282 1
1 673 . 12 1 1 A 75 75 VAL CB C 75 30.530 31.354 -0.824 1
1 676 . 12 1 1 A 75 75 VAL N N 75 122.510 126.428 -3.918 1
1 677 . 12 1 1 A 76 76 SER H H 76 8.700 8.852 -0.152 1
1 678 . 12 1 1 A 76 76 SER HA H 76 5.540 5.010 0.530 1
1 681 . 12 1 1 A 76 76 SER CA C 76 53.360 58.470 -5.110 1
1 682 . 12 1 1 A 76 76 SER CB C 76 63.190 64.481 -1.291 1
1 683 . 12 1 1 A 76 76 SER N N 76 118.910 124.360 -5.450 1
1 684 . 12 1 1 A 77 77 TYR H H 77 8.960 9.331 -0.371 1
1 685 . 12 1 1 A 77 77 TYR HA H 77 4.420 5.881 -1.461 1
1 688 . 12 1 1 A 77 77 TYR CA C 77 52.780 55.711 -2.931 1
1 689 . 12 1 1 A 77 77 TYR CB C 77 39.950 41.755 -1.805 1
1 690 . 12 1 1 A 77 77 TYR N N 77 118.060 121.381 -3.321 1
1 691 . 12 1 1 A 78 78 VAL H H 78 8.160 8.609 -0.449 1
1 692 . 12 1 1 A 78 78 VAL HA H 78 4.320 4.421 -0.101 1
1 700 . 12 1 1 A 78 78 VAL CA C 78 57.510 61.248 -3.738 1
1 701 . 12 1 1 A 78 78 VAL CB C 78 32.620 34.493 -1.873 1
1 704 . 12 1 1 A 78 78 VAL N N 78 116.800 119.604 -2.804 1
1 705 . 12 1 1 A 79 79 VAL H H 79 8.730 8.500 0.230 1
1 706 . 12 1 1 A 79 79 VAL HA H 79 4.760 4.357 0.403 1
1 714 . 12 1 1 A 79 79 VAL CA C 79 55.750 61.048 -5.298 1
1 715 . 12 1 1 A 79 79 VAL CB C 79 30.530 33.383 -2.853 1
1 718 . 12 1 1 A 79 79 VAL N N 79 119.730 127.013 -7.283 1
1 719 . 12 1 1 A 80 80 GLN H H 80 8.030 9.154 -1.124 1
1 720 . 12 1 1 A 80 80 GLN HA H 80 4.240 4.377 -0.137 1
1 725 . 12 1 1 A 80 80 GLN CA C 80 53.910 57.109 -3.199 1
1 726 . 12 1 1 A 80 80 GLN CB C 80 27.130 30.362 -3.232 1
1 728 . 12 1 1 A 80 80 GLN N N 80 116.150 122.441 -6.291 1
1 729 . 12 1 1 A 81 81 GLU H H 81 7.070 8.119 -1.049 1
1 730 . 12 1 1 A 81 81 GLU HA H 81 5.010 4.787 0.223 1
1 735 . 12 1 1 A 81 81 GLU CA C 81 49.600 53.241 -3.641 1
1 736 . 12 1 1 A 81 81 GLU CB C 81 29.410 32.335 -2.925 1
1 738 . 12 1 1 A 81 81 GLU N N 81 113.990 116.395 -2.405 1
1 739 . 12 1 1 A 82 82 PRO HA H 82 5.040 4.385 0.655 1
1 746 . 12 1 1 A 82 82 PRO CA C 82 59.910 63.777 -3.867 1
1 747 . 12 1 1 A 82 82 PRO CB C 82 29.280 32.434 -3.154 1
1 750 . 12 1 1 A 83 83 GLY H H 83 8.840 7.834 1.006 1
1 751 . 12 1 1 A 83 83 GLY CA C 83 41.780 44.497 -2.717 1
1 752 . 12 1 1 A 83 83 GLY N N 83 104.910 107.642 -2.732 1
1 753 . 12 1 1 A 84 84 ASP H H 84 8.250 8.378 -0.128 1
1 754 . 12 1 1 A 84 84 ASP HA H 84 5.260 5.188 0.072 1
1 757 . 12 1 1 A 84 84 ASP CA C 84 51.540 53.185 -1.645 1
1 758 . 12 1 1 A 84 84 ASP CB C 84 38.700 41.140 -2.440 1
1 759 . 12 1 1 A 84 84 ASP N N 84 118.800 120.553 -1.753 1
1 760 . 12 1 1 A 85 85 TYR H H 85 8.810 8.518 0.292 1
1 761 . 12 1 1 A 85 85 TYR HA H 85 3.970 5.002 -1.032 1
1 764 . 12 1 1 A 85 85 TYR CA C 85 53.930 59.306 -5.376 1
1 765 . 12 1 1 A 85 85 TYR CB C 85 37.760 39.633 -1.873 1
1 766 . 12 1 1 A 85 85 TYR N N 85 121.630 124.610 -2.980 1
1 767 . 12 1 1 A 86 86 GLU H H 86 9.320 8.771 0.549 1
1 768 . 12 1 1 A 86 86 GLU HA H 86 5.260 4.867 0.393 1
1 773 . 12 1 1 A 86 86 GLU CA C 86 52.350 55.352 -3.002 1
1 774 . 12 1 1 A 86 86 GLU CB C 86 30.070 31.595 -1.525 1
1 776 . 12 1 1 A 86 86 GLU N N 86 120.420 122.613 -2.193 1
1 777 . 12 1 1 A 87 87 VAL H H 87 9.810 8.304 1.506 1
1 778 . 12 1 1 A 87 87 VAL HA H 87 4.990 5.031 -0.041 1
1 786 . 12 1 1 A 87 87 VAL CA C 87 58.590 59.184 -0.594 1
1 787 . 12 1 1 A 87 87 VAL CB C 87 30.210 34.345 -4.135 1
1 790 . 12 1 1 A 87 87 VAL N N 87 129.200 125.004 4.196 1
1 791 . 12 1 1 A 88 88 SER H H 88 9.560 8.374 1.186 1
1 792 . 12 1 1 A 88 88 SER HA H 88 5.170 4.881 0.289 1
1 795 . 12 1 1 A 88 88 SER CA C 88 55.170 56.640 -1.470 1
1 796 . 12 1 1 A 88 88 SER CB C 88 62.790 64.349 -1.559 1
1 797 . 12 1 1 A 88 88 SER N N 88 121.730 122.652 -0.922 1
1 798 . 12 1 1 A 89 89 ILE H H 89 9.570 8.968 0.602 1
1 799 . 12 1 1 A 89 89 ILE HA H 89 4.920 5.335 -0.415 1
1 809 . 12 1 1 A 89 89 ILE CA C 89 57.020 58.846 -1.826 1
1 810 . 12 1 1 A 89 89 ILE CB C 89 38.120 40.407 -2.287 1
1 814 . 12 1 1 A 89 89 ILE N N 89 125.650 123.219 2.431 1
1 815 . 12 1 1 A 90 90 LYS H H 90 8.760 8.538 0.222 1
1 816 . 12 1 1 A 90 90 LYS HA H 90 5.130 5.148 -0.018 1
1 825 . 12 1 1 A 90 90 LYS CA C 90 50.980 54.546 -3.566 1
1 826 . 12 1 1 A 90 90 LYS CB C 90 33.850 35.139 -1.289 1
1 830 . 12 1 1 A 90 90 LYS N N 90 122.170 124.017 -1.847 1
1 831 . 12 1 1 A 91 91 PHE H H 91 9.040 8.342 0.698 1
1 832 . 12 1 1 A 91 91 PHE HA H 91 5.330 4.625 0.705 1
1 835 . 12 1 1 A 91 91 PHE CA C 91 53.190 57.374 -4.184 1
1 836 . 12 1 1 A 91 91 PHE CB C 91 40.200 39.511 0.689 1
1 837 . 12 1 1 A 91 91 PHE N N 91 120.990 125.552 -4.562 1
1 838 . 12 1 1 A 92 92 ASN H H 92 9.210 9.987 -0.777 1
1 839 . 12 1 1 A 92 92 ASN HA H 92 4.220 4.190 0.030 1
1 842 . 12 1 1 A 92 92 ASN CA C 92 51.480 53.895 -2.415 1
1 843 . 12 1 1 A 92 92 ASN CB C 92 33.610 36.949 -3.339 1
1 844 . 12 1 1 A 92 92 ASN N N 92 127.010 125.273 1.737 1
1 845 . 12 1 1 A 93 93 ASP H H 93 8.760 8.448 0.312 1
1 846 . 12 1 1 A 93 93 ASP HA H 93 3.970 4.170 -0.200 1
1 849 . 12 1 1 A 93 93 ASP CA C 93 53.920 55.946 -2.026 1
1 850 . 12 1 1 A 93 93 ASP CB C 93 38.060 39.238 -1.178 1
1 851 . 12 1 1 A 93 93 ASP N N 93 107.220 110.918 -3.698 1
1 852 . 12 1 1 A 94 94 GLU H H 94 7.500 7.997 -0.497 1
1 853 . 12 1 1 A 94 94 GLU HA H 94 4.700 4.765 -0.065 1
1 857 . 12 1 1 A 94 94 GLU CA C 94 51.940 55.423 -3.483 1
1 858 . 12 1 1 A 94 94 GLU CB C 94 29.680 30.137 -0.457 1
1 860 . 12 1 1 A 94 94 GLU N N 94 117.830 117.562 0.268 1
1 861 . 12 1 1 A 95 95 HIS H H 95 8.770 9.139 -0.369 1
1 862 . 12 1 1 A 95 95 HIS HA H 95 4.480 4.668 -0.188 1
1 865 . 12 1 1 A 95 95 HIS CA C 95 56.530 56.297 0.233 1
1 866 . 12 1 1 A 95 95 HIS CB C 95 29.690 29.096 0.594 1
1 867 . 12 1 1 A 95 95 HIS N N 95 121.910 124.364 -2.454 1
1 868 . 12 1 1 A 96 96 ILE H H 96 8.110 8.363 -0.253 1
1 869 . 12 1 1 A 96 96 ILE HA H 96 4.310 4.161 0.149 1
1 871 . 12 1 1 A 96 96 ILE CA C 96 57.520 59.276 -1.756 1
1 872 . 12 1 1 A 96 96 ILE CB C 96 32.720 39.774 -7.054 1
1 873 . 12 1 1 A 96 96 ILE N N 96 116.370 125.865 -9.495 1
1 874 . 12 1 1 A 97 97 PRO CA C 97 63.500 65.744 -2.244 1
1 875 . 12 1 1 A 97 97 PRO CB C 97 28.690 31.937 -3.247 1
1 878 . 12 1 1 A 98 98 ASP H H 98 7.940 8.694 -0.754 1
1 879 . 12 1 1 A 98 98 ASP HA H 98 5.010 4.392 0.618 1
1 882 . 12 1 1 A 98 98 ASP CA C 98 54.510 57.585 -3.075 1
1 883 . 12 1 1 A 98 98 ASP CB C 98 37.760 40.523 -2.763 1
1 884 . 12 1 1 A 98 98 ASP N N 98 113.440 118.326 -4.886 1
1 885 . 12 1 1 A 99 99 SER H H 99 7.470 7.868 -0.398 1
1 886 . 12 1 1 A 99 99 SER HA H 99 4.230 4.721 -0.491 1
1 889 . 12 1 1 A 99 99 SER CA C 99 52.370 57.015 -4.645 1
1 890 . 12 1 1 A 99 99 SER CB C 99 60.430 63.136 -2.706 1
1 891 . 12 1 1 A 99 99 SER N N 99 110.680 112.262 -1.582 1
1 892 . 12 1 1 A 100 100 PRO HA H 100 4.550 4.981 -0.431 1
1 899 . 12 1 1 A 100 100 PRO CA C 100 59.920 62.470 -2.550 1
1 900 . 12 1 1 A 100 100 PRO CB C 100 31.880 31.846 0.034 1
1 903 . 12 1 1 A 101 101 PHE H H 101 9.270 7.876 1.394 1
1 904 . 12 1 1 A 101 101 PHE HA H 101 4.560 5.358 -0.798 1
1 907 . 12 1 1 A 101 101 PHE CA C 101 54.060 54.897 -0.837 1
1 908 . 12 1 1 A 101 101 PHE CB C 101 37.930 42.079 -4.149 1
1 909 . 12 1 1 A 101 101 PHE N N 101 119.180 118.354 0.826 1
1 910 . 12 1 1 A 102 102 VAL H H 102 8.760 8.725 0.035 1
1 911 . 12 1 1 A 102 102 VAL HA H 102 4.580 4.761 -0.181 1
1 919 . 12 1 1 A 102 102 VAL CA C 102 60.400 61.195 -0.795 1
1 920 . 12 1 1 A 102 102 VAL CB C 102 28.970 33.366 -4.396 1
1 923 . 12 1 1 A 102 102 VAL N N 102 123.120 121.151 1.969 1
1 924 . 12 1 1 A 103 103 VAL H H 103 9.520 9.659 -0.139 1
1 925 . 12 1 1 A 103 103 VAL HA H 103 4.390 4.793 -0.403 1
1 933 . 12 1 1 A 103 103 VAL CA C 103 57.200 59.361 -2.161 1
1 934 . 12 1 1 A 103 103 VAL CB C 103 32.060 33.004 -0.944 1
1 937 . 12 1 1 A 103 103 VAL N N 103 130.330 128.599 1.731 1
1 938 . 12 1 1 A 104 104 PRO HA H 104 4.370 4.710 -0.340 1
1 941 . 12 1 1 A 104 104 PRO CA C 104 60.240 62.721 -2.481 1
1 942 . 12 1 1 A 104 104 PRO CB C 104 29.660 31.781 -2.121 1
1 945 . 12 1 1 A 105 105 VAL H H 105 9.300 8.368 0.932 1
1 946 . 12 1 1 A 105 105 VAL HA H 105 4.300 4.788 -0.488 1
1 954 . 12 1 1 A 105 105 VAL CA C 105 59.210 61.742 -2.532 1
1 955 . 12 1 1 A 105 105 VAL CB C 105 28.840 33.052 -4.212 1
1 958 . 12 1 1 A 105 105 VAL N N 105 126.320 124.495 1.825 1
1 959 . 12 1 1 A 106 106 ALA H H 106 8.360 9.348 -0.988 1
1 960 . 12 1 1 A 106 106 ALA HA H 106 4.660 5.226 -0.566 1
1 964 . 12 1 1 A 106 106 ALA CA C 106 48.340 50.522 -2.182 1
1 965 . 12 1 1 A 106 106 ALA CB C 106 18.960 22.507 -3.547 1
1 966 . 12 1 1 A 106 106 ALA N N 106 130.550 129.016 1.534 1
1 967 . 12 1 1 A 107 107 SER H H 107 8.590 8.901 -0.311 1
1 968 . 12 1 1 A 107 107 SER HA H 107 4.490 4.792 -0.302 1
1 971 . 12 1 1 A 107 107 SER CA C 107 55.570 56.551 -0.981 1
1 972 . 12 1 1 A 107 107 SER CB C 107 61.760 64.057 -2.297 1
1 973 . 12 1 1 A 107 107 SER N N 107 112.340 119.112 -6.772 1
1 974 . 12 1 1 A 108 108 LEU H H 108 8.660 8.768 -0.108 1
1 975 . 12 1 1 A 108 108 LEU HA H 108 4.300 3.932 0.368 1
1 985 . 12 1 1 A 108 108 LEU CA C 108 53.250 56.801 -3.551 1
1 986 . 12 1 1 A 108 108 LEU CB C 108 39.650 40.149 -0.499 1
1 990 . 12 1 1 A 108 108 LEU N N 108 123.200 127.099 -3.899 1
1 991 . 12 1 1 A 109 109 SER H H 109 8.210 8.122 0.088 1
1 992 . 12 1 1 A 109 109 SER HA H 109 4.370 4.482 -0.112 1
1 995 . 12 1 1 A 109 109 SER CA C 109 55.810 59.904 -4.094 1
1 996 . 12 1 1 A 109 109 SER CB C 109 61.240 63.858 -2.618 1
1 997 . 12 1 1 A 109 109 SER N N 109 114.710 114.573 0.137 1
1 998 . 12 1 1 A 110 110 ASP H H 110 8.240 8.323 -0.083 1
1 999 . 12 1 1 A 110 110 ASP HA H 110 4.500 4.311 0.189 1
1 1002 . 12 1 1 A 110 110 ASP CA C 110 52.740 55.462 -2.722 1
1 1003 . 12 1 1 A 110 110 ASP CB C 110 38.260 40.538 -2.278 1
1 1004 . 12 1 1 A 110 110 ASP N N 110 121.030 120.100 0.930 1
1 1005 . 12 1 1 A 111 111 ASP H H 111 8.210 8.070 0.140 1
1 1006 . 12 1 1 A 111 111 ASP HA H 111 4.500 4.923 -0.423 1
1 1009 . 12 1 1 A 111 111 ASP CA C 111 52.770 55.234 -2.464 1
1 1010 . 12 1 1 A 111 111 ASP CB C 111 38.290 43.661 -5.371 1
1 1011 . 12 1 1 A 111 111 ASP N N 111 118.910 119.492 -0.582 1
1 1012 . 12 1 1 A 112 112 ALA H H 112 8.050 8.484 -0.434 1
1 1013 . 12 1 1 A 112 112 ALA HA H 112 4.170 4.232 -0.062 1
1 1017 . 12 1 1 A 112 112 ALA CA C 112 50.710 52.832 -2.122 1
1 1018 . 12 1 1 A 112 112 ALA CB C 112 16.110 17.453 -1.343 1
1 1019 . 12 1 1 A 112 112 ALA N N 112 121.600 120.912 0.688 1
1 1020 . 12 1 1 A 113 113 ARG H H 113 7.960 8.304 -0.344 1
1 1021 . 12 1 1 A 113 113 ARG HA H 113 4.030 4.512 -0.482 1
1 1027 . 12 1 1 A 113 113 ARG CA C 113 55.200 55.014 0.186 1
1 1028 . 12 1 1 A 113 113 ARG CB C 113 27.730 31.045 -3.315 1
1 1031 . 12 1 1 A 113 113 ARG N N 113 116.640 117.831 -1.191 1
1 1032 . 12 1 1 A 114 114 ARG H H 114 7.930 8.815 -0.885 1
1 1033 . 12 1 1 A 114 114 ARG HA H 114 4.000 4.513 -0.513 1
1 1040 . 12 1 1 A 114 114 ARG CA C 114 53.940 56.101 -2.161 1
1 1041 . 12 1 1 A 114 114 ARG CB C 114 30.550 31.037 -0.487 1
1 1044 . 12 1 1 A 114 114 ARG N N 114 116.380 122.208 -5.828 1
1 1045 . 12 1 1 A 115 115 LEU H H 115 8.000 7.675 0.325 1
1 1046 . 12 1 1 A 115 115 LEU HA H 115 4.320 4.407 -0.087 1
1 1056 . 12 1 1 A 115 115 LEU CA C 115 52.870 55.660 -2.790 1
1 1057 . 12 1 1 A 115 115 LEU CB C 115 39.640 44.038 -4.398 1
1 1061 . 12 1 1 A 115 115 LEU N N 115 120.260 119.271 0.989 1
1 1062 . 12 1 1 A 116 116 THR H H 116 7.970 7.885 0.085 1
1 1063 . 12 1 1 A 116 116 THR HA H 116 4.390 4.382 0.008 1
1 1068 . 12 1 1 A 116 116 THR CA C 116 59.270 64.340 -5.070 1
1 1069 . 12 1 1 A 116 116 THR CB C 116 67.420 69.543 -2.123 1
1 1071 . 12 1 1 A 116 116 THR N N 116 113.250 112.065 1.185 1
1 1072 . 12 1 1 A 117 117 VAL H H 117 8.070 8.101 -0.031 1
1 1073 . 12 1 1 A 117 117 VAL HA H 117 4.330 3.946 0.384 1
1 1078 . 12 1 1 A 117 117 VAL CA C 117 60.230 65.388 -5.158 1
1 1079 . 12 1 1 A 117 117 VAL CB C 117 30.360 31.799 -1.439 1
1 1081 . 12 1 1 A 117 117 VAL N N 117 120.990 119.537 1.453 1
1 1082 . 12 1 1 A 118 118 THR H H 118 8.210 8.018 0.192 1
1 1083 . 12 1 1 A 118 118 THR HA H 118 4.380 3.944 0.436 1
1 1088 . 12 1 1 A 118 118 THR CA C 118 58.770 63.068 -4.298 1
1 1089 . 12 1 1 A 118 118 THR CB C 118 67.420 67.635 -0.215 1
1 1091 . 12 1 1 A 118 118 THR N N 118 116.420 116.356 0.064 1
1 1098 . 12 2 2 B 6 6 GLU H H 6 8.780 8.803 -0.023 1
1 1099 . 12 2 2 B 6 6 GLU HA H 6 4.160 4.274 -0.114 1
1 1104 . 12 2 2 B 8 8 ARG H H 8 8.200 8.425 -0.225 1
1 1105 . 12 2 2 B 8 8 ARG HA H 8 4.210 4.687 -0.477 1
1 1111 . 12 2 2 B 9 9 VAL H H 9 9.000 8.431 0.569 1
1 1112 . 12 2 2 B 9 9 VAL HA H 9 4.070 4.109 -0.039 1
1 1123 . 12 2 2 B 11 11 SER H H 11 8.490 8.784 -0.294 1
1 1126 . 12 2 2 B 12 12 SER HA H 12 4.410 5.381 -0.971 1
1 1129 . 12 2 2 B 13 13 VAL H H 13 8.800 8.639 0.161 1
1 1130 . 12 2 2 B 13 13 VAL HA H 13 4.010 4.822 -0.812 1
1 1138 . 12 2 2 B 14 14 PHE HA H 14 4.620 5.109 -0.489 1
1 1143 . 12 2 2 B 15 15 ILE H H 15 8.710 8.799 -0.089 1
1 1144 . 12 2 2 B 15 15 ILE HA H 15 4.140 4.702 -0.562 1
1 1154 . 12 2 2 B 16 16 THR HA H 16 4.220 5.188 -0.968 1
1 1159 . 12 2 2 B 17 17 LEU H H 17 8.270 8.678 -0.408 1
1 1160 . 12 2 2 B 17 17 LEU HA H 17 4.130 4.839 -0.709 1
1 1170 . 12 2 2 B 18 18 ALA HA H 18 4.500 4.762 -0.262 1
1 4 . 13 1 1 A 2 2 ILE H H 2 8.800 7.662 1.138 1
1 5 . 13 1 1 A 2 2 ILE N N 2 126.630 119.446 7.184 1
1 6 . 13 1 1 A 3 3 PRO HA H 3 4.360 4.350 0.010 1
1 13 . 13 1 1 A 3 3 PRO CA C 3 60.670 66.175 -5.505 1
1 14 . 13 1 1 A 3 3 PRO CB C 3 29.390 31.296 -1.906 1
1 17 . 13 1 1 A 4 4 GLU H H 4 8.270 8.191 0.079 1
1 18 . 13 1 1 A 4 4 GLU HA H 4 4.360 4.120 0.240 1
1 23 . 13 1 1 A 4 4 GLU CA C 4 53.690 58.024 -4.334 1
1 24 . 13 1 1 A 4 4 GLU CB C 4 29.430 29.431 -0.001 1
1 26 . 13 1 1 A 4 4 GLU N N 4 119.290 118.204 1.086 1
1 27 . 13 1 1 A 5 5 PHE H H 5 8.810 8.026 0.784 1
1 28 . 13 1 1 A 5 5 PHE N N 5 126.600 116.076 10.524 1
1 29 . 13 1 1 A 6 6 PHE H H 6 8.070 8.430 -0.360 1
1 30 . 13 1 1 A 6 6 PHE HA H 6 4.650 4.473 0.177 1
1 33 . 13 1 1 A 6 6 PHE CA C 6 54.920 58.948 -4.028 1
1 34 . 13 1 1 A 6 6 PHE CB C 6 37.190 39.326 -2.136 1
1 35 . 13 1 1 A 6 6 PHE N N 6 120.380 118.804 1.576 1
1 36 . 13 1 1 A 7 7 GLN H H 7 7.980 9.214 -1.234 1
1 37 . 13 1 1 A 7 7 GLN HA H 7 4.430 4.488 -0.058 1
1 42 . 13 1 1 A 7 7 GLN CA C 7 54.860 57.422 -2.562 1
1 43 . 13 1 1 A 7 7 GLN CB C 7 26.570 28.557 -1.987 1
1 45 . 13 1 1 A 7 7 GLN N N 7 119.930 119.378 0.552 1
1 46 . 13 1 1 A 8 8 PHE H H 8 8.030 8.115 -0.085 1
1 47 . 13 1 1 A 8 8 PHE HA H 8 4.630 4.878 -0.248 1
1 50 . 13 1 1 A 8 8 PHE CA C 8 55.020 59.107 -4.087 1
1 51 . 13 1 1 A 8 8 PHE CB C 8 36.840 41.793 -4.953 1
1 52 . 13 1 1 A 8 8 PHE N N 8 119.560 119.514 0.046 1
1 53 . 13 1 1 A 9 9 THR H H 9 8.040 8.129 -0.089 1
1 54 . 13 1 1 A 9 9 THR HA H 9 4.300 4.291 0.009 1
1 59 . 13 1 1 A 9 9 THR CA C 9 59.410 62.303 -2.893 1
1 60 . 13 1 1 A 9 9 THR CB C 9 67.440 68.908 -1.468 1
1 62 . 13 1 1 A 9 9 THR N N 9 114.650 112.565 2.085 1
1 63 . 13 1 1 A 10 10 VAL H H 10 8.070 8.049 0.021 1
1 64 . 13 1 1 A 10 10 VAL HA H 10 4.210 3.835 0.375 1
1 72 . 13 1 1 A 10 10 VAL CA C 10 59.470 64.785 -5.315 1
1 73 . 13 1 1 A 10 10 VAL CB C 10 30.180 32.373 -2.193 1
1 75 . 13 1 1 A 10 10 VAL N N 10 120.380 121.864 -1.484 1
1 76 . 13 1 1 A 11 11 GLY H H 11 8.200 7.506 0.694 1
1 77 . 13 1 1 A 11 11 GLY HA2 H 11 4.090 3.956 0.134 1
1 78 . 13 1 1 A 11 11 GLY HA3 H 11 4.000 3.957 0.043 1
1 79 . 13 1 1 A 11 11 GLY CA C 11 41.420 45.495 -4.075 1
1 80 . 13 1 1 A 11 11 GLY N N 11 110.910 109.157 1.753 1
1 81 . 13 1 1 A 12 12 PRO HA H 12 4.360 4.550 -0.190 1
1 88 . 13 1 1 A 12 12 PRO CA C 12 60.590 63.025 -2.435 1
1 89 . 13 1 1 A 12 12 PRO CB C 12 33.600 30.691 2.909 1
1 92 . 13 1 1 A 13 13 LEU H H 13 8.360 9.211 -0.851 1
1 93 . 13 1 1 A 13 13 LEU HA H 13 4.340 3.896 0.444 1
1 103 . 13 1 1 A 13 13 LEU CA C 13 52.800 55.414 -2.614 1
1 104 . 13 1 1 A 13 13 LEU CB C 13 39.650 39.590 0.060 1
1 108 . 13 1 1 A 13 13 LEU N N 13 120.390 119.123 1.267 1
1 109 . 13 1 1 A 14 14 GLY H H 14 8.240 8.248 -0.008 1
1 110 . 13 1 1 A 14 14 GLY HA2 H 14 3.960 3.878 0.082 1
1 111 . 13 1 1 A 14 14 GLY HA3 H 14 3.660 3.951 -0.291 1
1 112 . 13 1 1 A 14 14 GLY CA C 14 40.240 45.236 -4.996 1
1 113 . 13 1 1 A 14 14 GLY N N 14 107.860 108.738 -0.878 1
1 114 . 13 1 1 A 15 15 GLU H H 15 8.250 9.167 -0.917 1
1 115 . 13 1 1 A 15 15 GLU HA H 15 4.360 4.006 0.354 1
1 120 . 13 1 1 A 15 15 GLU CA C 15 53.920 57.634 -3.714 1
1 121 . 13 1 1 A 15 15 GLU CB C 15 27.800 28.830 -1.030 1
1 123 . 13 1 1 A 15 15 GLU N N 15 118.800 119.602 -0.802 1
1 124 . 13 1 1 A 16 16 GLY H H 16 8.460 8.532 -0.072 1
1 125 . 13 1 1 A 16 16 GLY HA2 H 16 3.960 3.894 0.066 1
1 126 . 13 1 1 A 16 16 GLY HA3 H 16 3.880 3.923 -0.043 1
1 127 . 13 1 1 A 16 16 GLY CA C 16 42.490 46.978 -4.488 1
1 128 . 13 1 1 A 16 16 GLY N N 16 108.190 106.614 1.576 1
1 129 . 13 1 1 A 17 17 GLY H H 17 8.300 8.740 -0.440 1
1 130 . 13 1 1 A 17 17 GLY HA2 H 17 4.430 4.127 0.303 1
1 131 . 13 1 1 A 17 17 GLY HA3 H 17 3.780 4.215 -0.435 1
1 132 . 13 1 1 A 17 17 GLY CA C 17 42.550 45.850 -3.300 1
1 133 . 13 1 1 A 17 17 GLY N N 17 105.790 109.568 -3.778 1
1 134 . 13 1 1 A 18 18 ALA H H 18 8.800 9.586 -0.786 1
1 135 . 13 1 1 A 18 18 ALA HA H 18 3.760 4.121 -0.361 1
1 139 . 13 1 1 A 18 18 ALA CA C 18 52.780 54.205 -1.425 1
1 140 . 13 1 1 A 18 18 ALA CB C 18 16.810 18.390 -1.580 1
1 141 . 13 1 1 A 18 18 ALA N N 18 120.770 124.447 -3.677 1
1 142 . 13 1 1 A 19 19 HIS H H 19 8.230 7.914 0.316 1
1 143 . 13 1 1 A 19 19 HIS HA H 19 4.410 4.218 0.192 1
1 146 . 13 1 1 A 19 19 HIS CA C 19 54.740 59.512 -4.772 1
1 147 . 13 1 1 A 19 19 HIS CB C 19 26.240 29.900 -3.660 1
1 148 . 13 1 1 A 19 19 HIS N N 19 109.490 118.714 -9.224 1
1 149 . 13 1 1 A 20 20 LYS H H 20 7.570 8.071 -0.501 1
1 150 . 13 1 1 A 20 20 LYS HA H 20 4.170 4.032 0.138 1
1 159 . 13 1 1 A 20 20 LYS CA C 20 52.100 57.566 -5.466 1
1 160 . 13 1 1 A 20 20 LYS CB C 20 29.850 32.128 -2.278 1
1 164 . 13 1 1 A 20 20 LYS N N 20 115.920 116.161 -0.241 1
1 165 . 13 1 1 A 21 21 VAL H H 21 7.460 7.153 0.307 1
1 166 . 13 1 1 A 21 21 VAL HA H 21 4.270 3.868 0.402 1
1 174 . 13 1 1 A 21 21 VAL CA C 21 60.730 62.127 -1.397 1
1 175 . 13 1 1 A 21 21 VAL CB C 21 29.340 31.727 -2.387 1
1 178 . 13 1 1 A 21 21 VAL N N 21 122.030 122.087 -0.057 1
1 179 . 13 1 1 A 22 22 ARG H H 22 7.840 8.854 -1.014 1
1 180 . 13 1 1 A 22 22 ARG HA H 22 5.100 5.070 0.030 1
1 187 . 13 1 1 A 22 22 ARG CA C 22 51.230 54.923 -3.693 1
1 188 . 13 1 1 A 22 22 ARG CB C 22 31.930 31.958 -0.028 1
1 191 . 13 1 1 A 22 22 ARG N N 22 121.520 129.081 -7.561 1
1 192 . 13 1 1 A 23 23 ALA H H 23 8.920 8.805 0.115 1
1 193 . 13 1 1 A 23 23 ALA HA H 23 5.580 5.448 0.132 1
1 197 . 13 1 1 A 23 23 ALA CA C 23 47.810 51.475 -3.665 1
1 198 . 13 1 1 A 23 23 ALA CB C 23 21.660 21.369 0.291 1
1 199 . 13 1 1 A 23 23 ALA N N 23 123.300 127.264 -3.964 1
1 200 . 13 1 1 A 24 24 GLY H H 24 8.450 8.303 0.147 1
1 201 . 13 1 1 A 24 24 GLY HA2 H 24 4.200 4.281 -0.081 1
1 202 . 13 1 1 A 24 24 GLY HA3 H 24 4.160 4.287 -0.127 1
1 203 . 13 1 1 A 24 24 GLY CA C 24 43.560 45.358 -1.798 1
1 204 . 13 1 1 A 24 24 GLY N N 24 104.220 109.245 -5.025 1
1 205 . 13 1 1 A 25 25 GLY H H 25 8.770 8.446 0.324 1
1 206 . 13 1 1 A 25 25 GLY HA2 H 25 4.880 4.333 0.547 1
1 207 . 13 1 1 A 25 25 GLY HA3 H 25 4.050 4.432 -0.382 1
1 208 . 13 1 1 A 25 25 GLY CA C 25 42.110 46.036 -3.926 1
1 209 . 13 1 1 A 25 25 GLY N N 25 109.590 110.080 -0.490 1
1 210 . 13 1 1 A 26 26 THR H H 26 8.620 9.051 -0.431 1
1 211 . 13 1 1 A 26 26 THR HA H 26 4.030 4.160 -0.130 1
1 216 . 13 1 1 A 26 26 THR CA C 26 63.280 66.034 -2.754 1
1 217 . 13 1 1 A 26 26 THR CB C 26 65.990 68.722 -2.732 1
1 219 . 13 1 1 A 26 26 THR N N 26 113.050 112.756 0.294 1
1 220 . 13 1 1 A 27 27 GLY H H 27 9.040 8.369 0.671 1
1 221 . 13 1 1 A 27 27 GLY HA2 H 27 4.270 4.083 0.187 1
1 222 . 13 1 1 A 27 27 GLY HA3 H 27 3.390 4.258 -0.868 1
1 223 . 13 1 1 A 27 27 GLY CA C 27 44.250 46.650 -2.400 1
1 224 . 13 1 1 A 27 27 GLY N N 27 105.190 108.036 -2.846 1
1 225 . 13 1 1 A 28 28 LEU H H 28 7.450 7.950 -0.500 1
1 226 . 13 1 1 A 28 28 LEU HA H 28 4.210 4.242 -0.032 1
1 236 . 13 1 1 A 28 28 LEU CA C 28 51.150 54.569 -3.419 1
1 237 . 13 1 1 A 28 28 LEU CB C 28 37.670 41.401 -3.731 1
1 241 . 13 1 1 A 28 28 LEU N N 28 114.980 120.887 -5.907 1
1 242 . 13 1 1 A 29 29 GLU H H 29 7.980 7.589 0.391 1
1 243 . 13 1 1 A 29 29 GLU HA H 29 4.540 4.533 0.007 1
1 248 . 13 1 1 A 29 29 GLU CA C 29 54.910 57.291 -2.381 1
1 249 . 13 1 1 A 29 29 GLU CB C 29 29.430 32.230 -2.800 1
1 251 . 13 1 1 A 29 29 GLU N N 29 117.810 117.528 0.282 1
1 252 . 13 1 1 A 30 30 ARG H H 30 8.340 7.283 1.057 1
1 253 . 13 1 1 A 30 30 ARG HA H 30 4.720 4.914 -0.194 1
1 260 . 13 1 1 A 30 30 ARG CA C 30 53.350 54.660 -1.310 1
1 261 . 13 1 1 A 30 30 ARG CB C 30 29.440 35.343 -5.903 1
1 264 . 13 1 1 A 30 30 ARG N N 30 112.890 117.776 -4.886 1
1 265 . 13 1 1 A 31 31 GLY H H 31 8.100 8.008 0.092 1
1 266 . 13 1 1 A 31 31 GLY HA2 H 31 4.540 4.404 0.136 1
1 267 . 13 1 1 A 31 31 GLY HA3 H 31 3.610 4.410 -0.800 1
1 268 . 13 1 1 A 31 31 GLY CA C 31 41.630 44.834 -3.204 1
1 269 . 13 1 1 A 31 31 GLY N N 31 103.670 108.436 -4.766 1
1 270 . 13 1 1 A 32 32 VAL H H 32 9.410 8.754 0.656 1
1 271 . 13 1 1 A 32 32 VAL HA H 32 4.450 5.162 -0.712 1
1 279 . 13 1 1 A 32 32 VAL CA C 32 58.730 59.942 -1.212 1
1 280 . 13 1 1 A 32 32 VAL CB C 32 32.560 35.759 -3.199 1
1 283 . 13 1 1 A 32 32 VAL N N 32 122.160 120.580 1.580 1
1 284 . 13 1 1 A 33 33 ALA H H 33 8.560 8.507 0.053 1
1 285 . 13 1 1 A 33 33 ALA HA H 33 3.620 3.964 -0.344 1
1 289 . 13 1 1 A 33 33 ALA CA C 33 50.860 53.953 -3.093 1
1 290 . 13 1 1 A 33 33 ALA CB C 33 14.450 18.533 -4.083 1
1 291 . 13 1 1 A 33 33 ALA N N 33 129.490 129.331 0.159 1
1 292 . 13 1 1 A 34 34 GLY H H 34 8.590 8.799 -0.209 1
1 293 . 13 1 1 A 34 34 GLY HA2 H 34 4.320 3.871 0.449 1
1 294 . 13 1 1 A 34 34 GLY HA3 H 34 3.420 3.882 -0.462 1
1 295 . 13 1 1 A 34 34 GLY CA C 34 42.710 47.065 -4.355 1
1 296 . 13 1 1 A 34 34 GLY N N 34 106.900 111.719 -4.819 1
1 297 . 13 1 1 A 35 35 VAL H H 35 7.840 7.374 0.466 1
1 298 . 13 1 1 A 35 35 VAL HA H 35 4.450 4.355 0.095 1
1 306 . 13 1 1 A 35 35 VAL CA C 35 56.660 58.928 -2.268 1
1 307 . 13 1 1 A 35 35 VAL CB C 35 32.030 35.114 -3.084 1
1 310 . 13 1 1 A 35 35 VAL N N 35 121.520 119.517 2.003 1
1 311 . 13 1 1 A 36 36 PRO HA H 36 4.260 4.390 -0.130 1
1 318 . 13 1 1 A 36 36 PRO CA C 36 60.720 62.784 -2.064 1
1 319 . 13 1 1 A 36 36 PRO CB C 36 28.760 31.720 -2.960 1
1 322 . 13 1 1 A 37 37 ALA H H 37 8.920 7.943 0.977 1
1 323 . 13 1 1 A 37 37 ALA HA H 37 4.490 5.000 -0.510 1
1 327 . 13 1 1 A 37 37 ALA CA C 37 47.550 50.240 -2.690 1
1 328 . 13 1 1 A 37 37 ALA CB C 37 17.110 22.171 -5.061 1
1 329 . 13 1 1 A 37 37 ALA N N 37 129.160 126.649 2.511 1
1 330 . 13 1 1 A 38 38 GLU H H 38 8.470 9.123 -0.653 1
1 331 . 13 1 1 A 38 38 GLU HA H 38 4.330 5.617 -1.287 1
1 336 . 13 1 1 A 38 38 GLU CA C 38 52.150 55.067 -2.917 1
1 337 . 13 1 1 A 38 38 GLU CB C 38 31.010 34.072 -3.062 1
1 339 . 13 1 1 A 38 38 GLU N N 38 117.150 118.446 -1.296 1
1 340 . 13 1 1 A 39 39 PHE H H 39 8.870 8.472 0.398 1
1 341 . 13 1 1 A 39 39 PHE HA H 39 4.520 5.307 -0.787 1
1 344 . 13 1 1 A 39 39 PHE CA C 39 54.670 56.101 -1.431 1
1 345 . 13 1 1 A 39 39 PHE CB C 39 37.170 41.028 -3.858 1
1 346 . 13 1 1 A 39 39 PHE N N 39 115.740 117.837 -2.097 1
1 347 . 13 1 1 A 40 40 SER H H 40 8.870 8.332 0.538 1
1 348 . 13 1 1 A 40 40 SER HA H 40 5.420 5.173 0.247 1
1 351 . 13 1 1 A 40 40 SER CA C 40 54.890 57.685 -2.795 1
1 352 . 13 1 1 A 40 40 SER CB C 40 63.790 64.811 -1.021 1
1 353 . 13 1 1 A 40 40 SER N N 40 113.140 116.241 -3.101 1
1 354 . 13 1 1 A 41 41 ILE H H 41 8.410 9.303 -0.893 1
1 355 . 13 1 1 A 41 41 ILE HA H 41 4.670 4.880 -0.210 1
1 365 . 13 1 1 A 41 41 ILE CA C 41 57.640 61.033 -3.393 1
1 366 . 13 1 1 A 41 41 ILE CB C 41 38.260 39.968 -1.708 1
1 370 . 13 1 1 A 41 41 ILE N N 41 118.020 123.390 -5.370 1
1 371 . 13 1 1 A 42 42 TRP H H 42 9.580 8.700 0.880 1
1 372 . 13 1 1 A 42 42 TRP HA H 42 4.870 5.112 -0.242 1
1 375 . 13 1 1 A 42 42 TRP CA C 42 56.240 55.779 0.461 1
1 376 . 13 1 1 A 42 42 TRP CB C 42 27.690 30.668 -2.978 1
1 377 . 13 1 1 A 42 42 TRP N N 42 126.430 131.020 -4.590 1
1 378 . 13 1 1 A 43 43 THR H H 43 8.370 8.342 0.028 1
1 379 . 13 1 1 A 43 43 THR HA H 43 3.800 4.276 -0.476 1
1 384 . 13 1 1 A 43 43 THR CA C 43 59.210 60.996 -1.786 1
1 385 . 13 1 1 A 43 43 THR CB C 43 67.070 70.653 -3.583 1
1 387 . 13 1 1 A 43 43 THR N N 43 112.460 121.777 -9.317 1
1 388 . 13 1 1 A 44 44 ARG HA H 44 3.910 4.371 -0.461 1
1 395 . 13 1 1 A 44 44 ARG CA C 44 57.190 55.739 1.451 1
1 396 . 13 1 1 A 44 44 ARG CB C 44 27.710 30.294 -2.584 1
1 399 . 13 1 1 A 45 45 GLU H H 45 8.260 8.445 -0.185 1
1 400 . 13 1 1 A 45 45 GLU HA H 45 4.160 4.564 -0.404 1
1 405 . 13 1 1 A 45 45 GLU CA C 45 54.510 57.965 -3.455 1
1 406 . 13 1 1 A 45 45 GLU CB C 45 27.510 32.156 -4.646 1
1 408 . 13 1 1 A 45 45 GLU N N 45 113.080 125.783 -12.703 1
1 409 . 13 1 1 A 46 46 ALA H H 46 7.550 8.401 -0.851 1
1 410 . 13 1 1 A 46 46 ALA HA H 46 3.870 4.166 -0.296 1
1 414 . 13 1 1 A 46 46 ALA CA C 46 50.350 54.705 -4.355 1
1 415 . 13 1 1 A 46 46 ALA CB C 46 18.120 20.209 -2.089 1
1 416 . 13 1 1 A 46 46 ALA N N 46 119.560 121.883 -2.323 1
1 417 . 13 1 1 A 47 47 GLY H H 47 7.450 7.404 0.046 1
1 418 . 13 1 1 A 47 47 GLY HA2 H 47 4.180 4.113 0.067 1
1 419 . 13 1 1 A 47 47 GLY HA3 H 47 3.630 4.137 -0.507 1
1 420 . 13 1 1 A 47 47 GLY CA C 47 41.940 45.930 -3.990 1
1 421 . 13 1 1 A 47 47 GLY N N 47 102.870 102.453 0.417 1
1 422 . 13 1 1 A 48 48 ALA H H 48 8.220 8.199 0.021 1
1 423 . 13 1 1 A 48 48 ALA HA H 48 4.290 5.075 -0.785 1
1 427 . 13 1 1 A 48 48 ALA CA C 48 49.360 50.931 -1.571 1
1 428 . 13 1 1 A 48 48 ALA CB C 48 16.590 20.938 -4.348 1
1 429 . 13 1 1 A 48 48 ALA N N 48 120.390 123.837 -3.447 1
1 430 . 13 1 1 A 49 49 GLY H H 49 8.000 8.594 -0.594 1
1 431 . 13 1 1 A 49 49 GLY HA2 H 49 3.720 3.498 0.222 1
1 432 . 13 1 1 A 49 49 GLY HA3 H 49 3.720 4.032 -0.312 1
1 433 . 13 1 1 A 49 49 GLY CA C 49 43.000 45.703 -2.703 1
1 434 . 13 1 1 A 49 49 GLY N N 49 106.720 106.230 0.490 1
1 435 . 13 1 1 A 50 50 GLY H H 50 7.580 8.683 -1.103 1
1 436 . 13 1 1 A 50 50 GLY N N 50 104.780 107.827 -3.047 1
1 437 . 13 1 1 A 51 51 LEU HA H 51 5.300 5.194 0.106 1
1 444 . 13 1 1 A 51 51 LEU CA C 51 50.270 54.134 -3.864 1
1 445 . 13 1 1 A 51 51 LEU CB C 51 42.930 43.605 -0.675 1
1 448 . 13 1 1 A 52 52 SER H H 52 9.110 8.553 0.557 1
1 449 . 13 1 1 A 52 52 SER HA H 52 5.180 5.081 0.099 1
1 452 . 13 1 1 A 52 52 SER CA C 52 53.700 57.499 -3.799 1
1 453 . 13 1 1 A 52 52 SER CB C 52 63.000 64.239 -1.239 1
1 454 . 13 1 1 A 52 52 SER N N 52 117.210 123.102 -5.892 1
1 455 . 13 1 1 A 53 53 ILE H H 53 8.330 8.844 -0.514 1
1 456 . 13 1 1 A 53 53 ILE HA H 53 4.930 4.847 0.083 1
1 466 . 13 1 1 A 53 53 ILE CA C 53 57.220 60.759 -3.539 1
1 467 . 13 1 1 A 53 53 ILE CB C 53 37.710 39.864 -2.154 1
1 471 . 13 1 1 A 53 53 ILE N N 53 124.030 125.969 -1.939 1
1 472 . 13 1 1 A 54 54 ALA H H 54 8.920 8.655 0.265 1
1 473 . 13 1 1 A 54 54 ALA HA H 54 5.390 4.803 0.587 1
1 477 . 13 1 1 A 54 54 ALA CA C 54 47.440 50.688 -3.248 1
1 478 . 13 1 1 A 54 54 ALA CB C 54 19.810 20.152 -0.342 1
1 479 . 13 1 1 A 54 54 ALA N N 54 126.530 131.058 -4.528 1
1 480 . 13 1 1 A 55 55 VAL H H 55 9.010 8.693 0.317 1
1 481 . 13 1 1 A 55 55 VAL HA H 55 4.830 5.252 -0.422 1
1 489 . 13 1 1 A 55 55 VAL CA C 55 58.430 59.788 -1.358 1
1 490 . 13 1 1 A 55 55 VAL CB C 55 31.020 33.746 -2.726 1
1 493 . 13 1 1 A 55 55 VAL N N 55 119.590 118.935 0.655 1
1 494 . 13 1 1 A 56 56 GLU H H 56 9.270 8.967 0.303 1
1 495 . 13 1 1 A 56 56 GLU HA H 56 4.690 5.272 -0.582 1
1 500 . 13 1 1 A 56 56 GLU CA C 56 52.000 55.188 -3.188 1
1 501 . 13 1 1 A 56 56 GLU CB C 56 31.050 33.932 -2.882 1
1 503 . 13 1 1 A 56 56 GLU N N 56 127.360 124.248 3.112 1
1 504 . 13 1 1 A 57 57 GLY H H 57 8.620 8.284 0.336 1
1 505 . 13 1 1 A 57 57 GLY N N 57 108.540 111.243 -2.703 1
1 506 . 13 1 1 A 58 58 PRO HA H 58 4.480 4.341 0.139 1
1 513 . 13 1 1 A 58 58 PRO CA C 58 61.850 64.541 -2.691 1
1 514 . 13 1 1 A 58 58 PRO CB C 58 29.820 32.105 -2.285 1
1 517 . 13 1 1 A 59 59 SER H H 59 7.200 7.387 -0.187 1
1 518 . 13 1 1 A 59 59 SER HA H 59 4.620 4.827 -0.207 1
1 521 . 13 1 1 A 59 59 SER CA C 59 55.050 56.067 -1.017 1
1 522 . 13 1 1 A 59 59 SER CB C 59 63.650 65.935 -2.285 1
1 523 . 13 1 1 A 59 59 SER N N 59 106.970 111.492 -4.522 1
1 524 . 13 1 1 A 60 60 LYS H H 60 8.570 8.534 0.036 1
1 525 . 13 1 1 A 60 60 LYS HA H 60 4.000 4.707 -0.707 1
1 534 . 13 1 1 A 60 60 LYS CA C 60 54.090 55.442 -1.352 1
1 535 . 13 1 1 A 60 60 LYS CB C 60 30.480 33.219 -2.739 1
1 539 . 13 1 1 A 60 60 LYS N N 60 118.890 123.374 -4.484 1
1 540 . 13 1 1 A 61 61 ALA H H 61 8.830 8.699 0.131 1
1 541 . 13 1 1 A 61 61 ALA HA H 61 4.930 4.594 0.336 1
1 545 . 13 1 1 A 61 61 ALA CA C 61 47.980 52.980 -5.000 1
1 546 . 13 1 1 A 61 61 ALA CB C 61 17.500 19.369 -1.869 1
1 547 . 13 1 1 A 61 61 ALA N N 61 127.130 130.078 -2.948 1
1 548 . 13 1 1 A 62 62 GLU H H 62 8.440 8.266 0.174 1
1 549 . 13 1 1 A 62 62 GLU HA H 62 4.610 4.617 -0.007 1
1 554 . 13 1 1 A 62 62 GLU CA C 62 52.800 55.563 -2.763 1
1 555 . 13 1 1 A 62 62 GLU CB C 62 27.620 29.788 -2.168 1
1 557 . 13 1 1 A 62 62 GLU N N 62 121.980 123.770 -1.790 1
1 558 . 13 1 1 A 63 63 ILE H H 63 8.710 7.945 0.765 1
1 559 . 13 1 1 A 63 63 ILE HA H 63 4.710 4.510 0.200 1
1 569 . 13 1 1 A 63 63 ILE CA C 63 58.480 62.261 -3.781 1
1 570 . 13 1 1 A 63 63 ILE CB C 63 37.820 38.546 -0.726 1
1 574 . 13 1 1 A 63 63 ILE N N 63 125.400 127.126 -1.726 1
1 575 . 13 1 1 A 64 64 ALA H H 64 9.350 8.493 0.857 1
1 576 . 13 1 1 A 64 64 ALA HA H 64 5.400 5.148 0.252 1
1 580 . 13 1 1 A 64 64 ALA CA C 64 47.440 51.066 -3.626 1
1 581 . 13 1 1 A 64 64 ALA CB C 64 19.750 24.458 -4.708 1
1 582 . 13 1 1 A 64 64 ALA N N 64 130.180 124.947 5.233 1
1 583 . 13 1 1 A 65 65 PHE H H 65 8.120 8.635 -0.515 1
1 584 . 13 1 1 A 65 65 PHE HA H 65 5.410 5.584 -0.174 1
1 587 . 13 1 1 A 65 65 PHE CA C 65 53.210 55.847 -2.637 1
1 588 . 13 1 1 A 65 65 PHE CB C 65 40.490 42.067 -1.577 1
1 589 . 13 1 1 A 65 65 PHE N N 65 115.800 115.127 0.673 1
1 590 . 13 1 1 A 66 66 GLU H H 66 8.360 8.671 -0.311 1
1 591 . 13 1 1 A 66 66 GLU HA H 66 4.700 4.668 0.032 1
1 596 . 13 1 1 A 66 66 GLU CA C 66 52.100 55.089 -2.989 1
1 597 . 13 1 1 A 66 66 GLU CB C 66 30.280 32.523 -2.243 1
1 599 . 13 1 1 A 66 66 GLU N N 66 120.390 123.054 -2.664 1
1 600 . 13 1 1 A 67 67 ASP H H 67 8.880 8.936 -0.056 1
1 601 . 13 1 1 A 67 67 ASP HA H 67 5.120 4.857 0.263 1
1 604 . 13 1 1 A 67 67 ASP CA C 67 51.070 53.923 -2.853 1
1 605 . 13 1 1 A 67 67 ASP CB C 67 38.310 41.004 -2.694 1
1 606 . 13 1 1 A 67 67 ASP N N 67 124.860 126.450 -1.590 1
1 607 . 13 1 1 A 68 68 ARG H H 68 8.330 8.852 -0.522 1
1 608 . 13 1 1 A 68 68 ARG HA H 68 4.170 4.489 -0.319 1
1 613 . 13 1 1 A 68 68 ARG CA C 68 54.170 56.472 -2.302 1
1 614 . 13 1 1 A 68 68 ARG CB C 68 27.740 31.523 -3.783 1
1 615 . 13 1 1 A 68 68 ARG N N 68 125.010 123.366 1.644 1
1 616 . 13 1 1 A 69 69 LYS H H 69 7.980 7.699 0.281 1
1 617 . 13 1 1 A 69 69 LYS HA H 69 4.030 4.376 -0.346 1
1 626 . 13 1 1 A 69 69 LYS CA C 69 55.530 55.626 -0.096 1
1 627 . 13 1 1 A 69 69 LYS CB C 69 26.220 33.742 -7.522 1
1 631 . 13 1 1 A 69 69 LYS N N 69 118.110 117.770 0.340 1
1 632 . 13 1 1 A 70 70 ASP H H 70 7.930 8.394 -0.464 1
1 633 . 13 1 1 A 70 70 ASP HA H 70 4.330 4.303 0.027 1
1 636 . 13 1 1 A 70 70 ASP CA C 70 52.540 55.552 -3.012 1
1 637 . 13 1 1 A 70 70 ASP CB C 70 40.020 40.460 -0.440 1
1 638 . 13 1 1 A 70 70 ASP N N 70 116.380 118.356 -1.976 1
1 639 . 13 1 1 A 71 71 GLY H H 71 9.080 8.124 0.956 1
1 640 . 13 1 1 A 71 71 GLY HA2 H 71 4.200 3.814 0.386 1
1 641 . 13 1 1 A 71 71 GLY HA3 H 71 3.630 4.049 -0.419 1
1 642 . 13 1 1 A 71 71 GLY CA C 71 42.480 45.350 -2.870 1
1 643 . 13 1 1 A 71 71 GLY N N 71 108.240 106.130 2.110 1
1 644 . 13 1 1 A 72 72 SER H H 72 8.400 7.856 0.544 1
1 645 . 13 1 1 A 72 72 SER HA H 72 5.470 5.059 0.411 1
1 648 . 13 1 1 A 72 72 SER CA C 72 54.440 57.640 -3.200 1
1 649 . 13 1 1 A 72 72 SER CB C 72 65.130 66.051 -0.921 1
1 650 . 13 1 1 A 72 72 SER N N 72 116.980 113.313 3.667 1
1 651 . 13 1 1 A 73 73 CYS H H 73 8.810 8.779 0.031 1
1 652 . 13 1 1 A 73 73 CYS HA H 73 5.210 4.609 0.601 1
1 655 . 13 1 1 A 73 73 CYS CA C 73 53.240 58.832 -5.592 1
1 656 . 13 1 1 A 73 73 CYS CB C 73 28.520 28.474 0.046 1
1 657 . 13 1 1 A 73 73 CYS N N 73 114.140 128.306 -14.166 1
1 658 . 13 1 1 A 74 74 GLY H H 74 8.880 8.919 -0.039 1
1 659 . 13 1 1 A 74 74 GLY HA2 H 74 4.540 4.069 0.471 1
1 660 . 13 1 1 A 74 74 GLY HA3 H 74 3.610 4.126 -0.516 1
1 661 . 13 1 1 A 74 74 GLY CA C 74 41.630 44.728 -3.098 1
1 662 . 13 1 1 A 74 74 GLY N N 74 110.010 113.842 -3.832 1
1 663 . 13 1 1 A 75 75 VAL H H 75 8.480 8.828 -0.348 1
1 664 . 13 1 1 A 75 75 VAL HA H 75 4.550 4.929 -0.379 1
1 672 . 13 1 1 A 75 75 VAL CA C 75 57.860 61.086 -3.226 1
1 673 . 13 1 1 A 75 75 VAL CB C 75 30.530 32.142 -1.612 1
1 676 . 13 1 1 A 75 75 VAL N N 75 122.510 126.501 -3.991 1
1 677 . 13 1 1 A 76 76 SER H H 76 8.700 8.999 -0.299 1
1 678 . 13 1 1 A 76 76 SER HA H 76 5.540 5.297 0.243 1
1 681 . 13 1 1 A 76 76 SER CA C 76 53.360 57.306 -3.946 1
1 682 . 13 1 1 A 76 76 SER CB C 76 63.190 64.449 -1.259 1
1 683 . 13 1 1 A 76 76 SER N N 76 118.910 123.538 -4.628 1
1 684 . 13 1 1 A 77 77 TYR H H 77 8.960 9.550 -0.590 1
1 685 . 13 1 1 A 77 77 TYR HA H 77 4.420 6.046 -1.626 1
1 688 . 13 1 1 A 77 77 TYR CA C 77 52.780 55.513 -2.733 1
1 689 . 13 1 1 A 77 77 TYR CB C 77 39.950 41.819 -1.869 1
1 690 . 13 1 1 A 77 77 TYR N N 77 118.060 123.416 -5.356 1
1 691 . 13 1 1 A 78 78 VAL H H 78 8.160 9.006 -0.846 1
1 692 . 13 1 1 A 78 78 VAL HA H 78 4.320 4.589 -0.269 1
1 700 . 13 1 1 A 78 78 VAL CA C 78 57.510 60.596 -3.086 1
1 701 . 13 1 1 A 78 78 VAL CB C 78 32.620 33.666 -1.046 1
1 704 . 13 1 1 A 78 78 VAL N N 78 116.800 124.955 -8.155 1
1 705 . 13 1 1 A 79 79 VAL H H 79 8.730 8.306 0.424 1
1 706 . 13 1 1 A 79 79 VAL HA H 79 4.760 4.368 0.392 1
1 714 . 13 1 1 A 79 79 VAL CA C 79 55.750 60.856 -5.106 1
1 715 . 13 1 1 A 79 79 VAL CB C 79 30.530 33.740 -3.210 1
1 718 . 13 1 1 A 79 79 VAL N N 79 119.730 126.147 -6.417 1
1 719 . 13 1 1 A 80 80 GLN H H 80 8.030 8.763 -0.733 1
1 720 . 13 1 1 A 80 80 GLN HA H 80 4.240 4.423 -0.183 1
1 725 . 13 1 1 A 80 80 GLN CA C 80 53.910 57.152 -3.242 1
1 726 . 13 1 1 A 80 80 GLN CB C 80 27.130 30.327 -3.197 1
1 728 . 13 1 1 A 80 80 GLN N N 80 116.150 122.083 -5.933 1
1 729 . 13 1 1 A 81 81 GLU H H 81 7.070 7.928 -0.858 1
1 730 . 13 1 1 A 81 81 GLU HA H 81 5.010 4.800 0.210 1
1 735 . 13 1 1 A 81 81 GLU CA C 81 49.600 54.330 -4.730 1
1 736 . 13 1 1 A 81 81 GLU CB C 81 29.410 32.422 -3.012 1
1 738 . 13 1 1 A 81 81 GLU N N 81 113.990 114.688 -0.698 1
1 739 . 13 1 1 A 82 82 PRO HA H 82 5.040 4.397 0.643 1
1 746 . 13 1 1 A 82 82 PRO CA C 82 59.910 63.771 -3.861 1
1 747 . 13 1 1 A 82 82 PRO CB C 82 29.280 32.297 -3.017 1
1 750 . 13 1 1 A 83 83 GLY H H 83 8.840 7.803 1.037 1
1 751 . 13 1 1 A 83 83 GLY CA C 83 41.780 44.799 -3.019 1
1 752 . 13 1 1 A 83 83 GLY N N 83 104.910 107.880 -2.970 1
1 753 . 13 1 1 A 84 84 ASP H H 84 8.250 8.344 -0.094 1
1 754 . 13 1 1 A 84 84 ASP HA H 84 5.260 5.192 0.068 1
1 757 . 13 1 1 A 84 84 ASP CA C 84 51.540 53.149 -1.609 1
1 758 . 13 1 1 A 84 84 ASP CB C 84 38.700 40.931 -2.231 1
1 759 . 13 1 1 A 84 84 ASP N N 84 118.800 120.709 -1.909 1
1 760 . 13 1 1 A 85 85 TYR H H 85 8.810 8.516 0.294 1
1 761 . 13 1 1 A 85 85 TYR HA H 85 3.970 4.965 -0.995 1
1 764 . 13 1 1 A 85 85 TYR CA C 85 53.930 59.054 -5.124 1
1 765 . 13 1 1 A 85 85 TYR CB C 85 37.760 39.287 -1.527 1
1 766 . 13 1 1 A 85 85 TYR N N 85 121.630 124.456 -2.826 1
1 767 . 13 1 1 A 86 86 GLU H H 86 9.320 8.987 0.333 1
1 768 . 13 1 1 A 86 86 GLU HA H 86 5.260 5.099 0.161 1
1 773 . 13 1 1 A 86 86 GLU CA C 86 52.350 55.226 -2.876 1
1 774 . 13 1 1 A 86 86 GLU CB C 86 30.070 31.853 -1.783 1
1 776 . 13 1 1 A 86 86 GLU N N 86 120.420 123.296 -2.876 1
1 777 . 13 1 1 A 87 87 VAL H H 87 9.810 8.127 1.683 1
1 778 . 13 1 1 A 87 87 VAL HA H 87 4.990 4.931 0.059 1
1 786 . 13 1 1 A 87 87 VAL CA C 87 58.590 59.117 -0.527 1
1 787 . 13 1 1 A 87 87 VAL CB C 87 30.210 34.863 -4.653 1
1 790 . 13 1 1 A 87 87 VAL N N 87 129.200 122.751 6.449 1
1 791 . 13 1 1 A 88 88 SER H H 88 9.560 8.567 0.993 1
1 792 . 13 1 1 A 88 88 SER HA H 88 5.170 5.510 -0.340 1
1 795 . 13 1 1 A 88 88 SER CA C 88 55.170 56.870 -1.700 1
1 796 . 13 1 1 A 88 88 SER CB C 88 62.790 64.790 -2.000 1
1 797 . 13 1 1 A 88 88 SER N N 88 121.730 122.539 -0.809 1
1 798 . 13 1 1 A 89 89 ILE H H 89 9.570 9.741 -0.171 1
1 799 . 13 1 1 A 89 89 ILE HA H 89 4.920 5.413 -0.493 1
1 809 . 13 1 1 A 89 89 ILE CA C 89 57.020 59.215 -2.195 1
1 810 . 13 1 1 A 89 89 ILE CB C 89 38.120 40.509 -2.389 1
1 814 . 13 1 1 A 89 89 ILE N N 89 125.650 121.974 3.676 1
1 815 . 13 1 1 A 90 90 LYS H H 90 8.760 8.654 0.106 1
1 816 . 13 1 1 A 90 90 LYS HA H 90 5.130 5.422 -0.292 1
1 825 . 13 1 1 A 90 90 LYS CA C 90 50.980 54.767 -3.787 1
1 826 . 13 1 1 A 90 90 LYS CB C 90 33.850 35.669 -1.819 1
1 830 . 13 1 1 A 90 90 LYS N N 90 122.170 124.723 -2.553 1
1 831 . 13 1 1 A 91 91 PHE H H 91 9.040 8.410 0.630 1
1 832 . 13 1 1 A 91 91 PHE HA H 91 5.330 4.677 0.653 1
1 835 . 13 1 1 A 91 91 PHE CA C 91 53.190 57.788 -4.598 1
1 836 . 13 1 1 A 91 91 PHE CB C 91 40.200 39.840 0.360 1
1 837 . 13 1 1 A 91 91 PHE N N 91 120.990 125.337 -4.347 1
1 838 . 13 1 1 A 92 92 ASN H H 92 9.210 9.115 0.095 1
1 839 . 13 1 1 A 92 92 ASN HA H 92 4.220 4.180 0.040 1
1 842 . 13 1 1 A 92 92 ASN CA C 92 51.480 53.791 -2.311 1
1 843 . 13 1 1 A 92 92 ASN CB C 92 33.610 36.798 -3.188 1
1 844 . 13 1 1 A 92 92 ASN N N 92 127.010 125.307 1.703 1
1 845 . 13 1 1 A 93 93 ASP H H 93 8.760 8.496 0.264 1
1 846 . 13 1 1 A 93 93 ASP HA H 93 3.970 4.261 -0.291 1
1 849 . 13 1 1 A 93 93 ASP CA C 93 53.920 55.980 -2.060 1
1 850 . 13 1 1 A 93 93 ASP CB C 93 38.060 39.032 -0.972 1
1 851 . 13 1 1 A 93 93 ASP N N 93 107.220 110.931 -3.711 1
1 852 . 13 1 1 A 94 94 GLU H H 94 7.500 7.956 -0.456 1
1 853 . 13 1 1 A 94 94 GLU HA H 94 4.700 4.563 0.137 1
1 857 . 13 1 1 A 94 94 GLU CA C 94 51.940 55.393 -3.453 1
1 858 . 13 1 1 A 94 94 GLU CB C 94 29.680 30.182 -0.502 1
1 860 . 13 1 1 A 94 94 GLU N N 94 117.830 118.061 -0.231 1
1 861 . 13 1 1 A 95 95 HIS H H 95 8.770 8.655 0.115 1
1 862 . 13 1 1 A 95 95 HIS HA H 95 4.480 4.719 -0.239 1
1 865 . 13 1 1 A 95 95 HIS CA C 95 56.530 55.676 0.854 1
1 866 . 13 1 1 A 95 95 HIS CB C 95 29.690 29.823 -0.133 1
1 867 . 13 1 1 A 95 95 HIS N N 95 121.910 121.704 0.206 1
1 868 . 13 1 1 A 96 96 ILE H H 96 8.110 8.434 -0.324 1
1 869 . 13 1 1 A 96 96 ILE HA H 96 4.310 4.228 0.082 1
1 871 . 13 1 1 A 96 96 ILE CA C 96 57.520 60.104 -2.584 1
1 872 . 13 1 1 A 96 96 ILE CB C 96 32.720 37.693 -4.973 1
1 873 . 13 1 1 A 96 96 ILE N N 96 116.370 121.792 -5.422 1
1 874 . 13 1 1 A 97 97 PRO CA C 97 63.500 62.465 1.035 1
1 875 . 13 1 1 A 97 97 PRO CB C 97 28.690 29.787 -1.097 1
1 878 . 13 1 1 A 98 98 ASP H H 98 7.940 8.734 -0.794 1
1 879 . 13 1 1 A 98 98 ASP HA H 98 5.010 4.861 0.149 1
1 882 . 13 1 1 A 98 98 ASP CA C 98 54.510 55.244 -0.734 1
1 883 . 13 1 1 A 98 98 ASP CB C 98 37.760 43.706 -5.946 1
1 884 . 13 1 1 A 98 98 ASP N N 98 113.440 122.239 -8.799 1
1 885 . 13 1 1 A 99 99 SER H H 99 7.470 8.070 -0.600 1
1 886 . 13 1 1 A 99 99 SER HA H 99 4.230 4.658 -0.428 1
1 889 . 13 1 1 A 99 99 SER CA C 99 52.370 57.755 -5.385 1
1 890 . 13 1 1 A 99 99 SER CB C 99 60.430 63.485 -3.055 1
1 891 . 13 1 1 A 99 99 SER N N 99 110.680 115.742 -5.062 1
1 892 . 13 1 1 A 100 100 PRO HA H 100 4.550 5.024 -0.474 1
1 899 . 13 1 1 A 100 100 PRO CA C 100 59.920 62.352 -2.432 1
1 900 . 13 1 1 A 100 100 PRO CB C 100 31.880 31.801 0.079 1
1 903 . 13 1 1 A 101 101 PHE H H 101 9.270 7.904 1.366 1
1 904 . 13 1 1 A 101 101 PHE HA H 101 4.560 5.323 -0.763 1
1 907 . 13 1 1 A 101 101 PHE CA C 101 54.060 55.039 -0.979 1
1 908 . 13 1 1 A 101 101 PHE CB C 101 37.930 42.146 -4.216 1
1 909 . 13 1 1 A 101 101 PHE N N 101 119.180 118.359 0.821 1
1 910 . 13 1 1 A 102 102 VAL H H 102 8.760 8.618 0.142 1
1 911 . 13 1 1 A 102 102 VAL HA H 102 4.580 4.900 -0.320 1
1 919 . 13 1 1 A 102 102 VAL CA C 102 60.400 60.556 -0.156 1
1 920 . 13 1 1 A 102 102 VAL CB C 102 28.970 33.660 -4.690 1
1 923 . 13 1 1 A 102 102 VAL N N 102 123.120 120.873 2.247 1
1 924 . 13 1 1 A 103 103 VAL H H 103 9.520 10.037 -0.517 1
1 925 . 13 1 1 A 103 103 VAL HA H 103 4.390 4.823 -0.433 1
1 933 . 13 1 1 A 103 103 VAL CA C 103 57.200 59.360 -2.160 1
1 934 . 13 1 1 A 103 103 VAL CB C 103 32.060 33.409 -1.349 1
1 937 . 13 1 1 A 103 103 VAL N N 103 130.330 128.593 1.737 1
1 938 . 13 1 1 A 104 104 PRO HA H 104 4.370 4.726 -0.356 1
1 941 . 13 1 1 A 104 104 PRO CA C 104 60.240 62.909 -2.669 1
1 942 . 13 1 1 A 104 104 PRO CB C 104 29.660 31.930 -2.270 1
1 945 . 13 1 1 A 105 105 VAL H H 105 9.300 8.339 0.961 1
1 946 . 13 1 1 A 105 105 VAL HA H 105 4.300 4.814 -0.514 1
1 954 . 13 1 1 A 105 105 VAL CA C 105 59.210 61.860 -2.650 1
1 955 . 13 1 1 A 105 105 VAL CB C 105 28.840 32.992 -4.152 1
1 958 . 13 1 1 A 105 105 VAL N N 105 126.320 124.288 2.032 1
1 959 . 13 1 1 A 106 106 ALA H H 106 8.360 9.420 -1.060 1
1 960 . 13 1 1 A 106 106 ALA HA H 106 4.660 5.215 -0.555 1
1 964 . 13 1 1 A 106 106 ALA CA C 106 48.340 50.626 -2.286 1
1 965 . 13 1 1 A 106 106 ALA CB C 106 18.960 22.938 -3.978 1
1 966 . 13 1 1 A 106 106 ALA N N 106 130.550 128.854 1.696 1
1 967 . 13 1 1 A 107 107 SER H H 107 8.590 8.854 -0.264 1
1 968 . 13 1 1 A 107 107 SER HA H 107 4.490 4.795 -0.305 1
1 971 . 13 1 1 A 107 107 SER CA C 107 55.570 56.564 -0.994 1
1 972 . 13 1 1 A 107 107 SER CB C 107 61.760 63.733 -1.973 1
1 973 . 13 1 1 A 107 107 SER N N 107 112.340 118.176 -5.836 1
1 974 . 13 1 1 A 108 108 LEU H H 108 8.660 8.272 0.388 1
1 975 . 13 1 1 A 108 108 LEU HA H 108 4.300 4.134 0.166 1
1 985 . 13 1 1 A 108 108 LEU CA C 108 53.250 56.279 -3.029 1
1 986 . 13 1 1 A 108 108 LEU CB C 108 39.650 42.030 -2.380 1
1 990 . 13 1 1 A 108 108 LEU N N 108 123.200 126.958 -3.758 1
1 991 . 13 1 1 A 109 109 SER H H 109 8.210 8.104 0.106 1
1 992 . 13 1 1 A 109 109 SER HA H 109 4.370 4.454 -0.084 1
1 995 . 13 1 1 A 109 109 SER CA C 109 55.810 60.970 -5.160 1
1 996 . 13 1 1 A 109 109 SER CB C 109 61.240 63.614 -2.374 1
1 997 . 13 1 1 A 109 109 SER N N 109 114.710 116.341 -1.631 1
1 998 . 13 1 1 A 110 110 ASP H H 110 8.240 8.022 0.218 1
1 999 . 13 1 1 A 110 110 ASP HA H 110 4.500 4.364 0.136 1
1 1002 . 13 1 1 A 110 110 ASP CA C 110 52.740 55.596 -2.856 1
1 1003 . 13 1 1 A 110 110 ASP CB C 110 38.260 39.442 -1.182 1
1 1004 . 13 1 1 A 110 110 ASP N N 110 121.030 117.633 3.397 1
1 1005 . 13 1 1 A 111 111 ASP H H 111 8.210 7.968 0.242 1
1 1006 . 13 1 1 A 111 111 ASP HA H 111 4.500 4.899 -0.399 1
1 1009 . 13 1 1 A 111 111 ASP CA C 111 52.770 55.027 -2.257 1
1 1010 . 13 1 1 A 111 111 ASP CB C 111 38.290 43.917 -5.627 1
1 1011 . 13 1 1 A 111 111 ASP N N 111 118.910 118.468 0.442 1
1 1012 . 13 1 1 A 112 112 ALA H H 112 8.050 7.916 0.134 1
1 1013 . 13 1 1 A 112 112 ALA HA H 112 4.170 4.048 0.122 1
1 1017 . 13 1 1 A 112 112 ALA CA C 112 50.710 52.776 -2.066 1
1 1018 . 13 1 1 A 112 112 ALA CB C 112 16.110 17.902 -1.792 1
1 1019 . 13 1 1 A 112 112 ALA N N 112 121.600 120.761 0.839 1
1 1020 . 13 1 1 A 113 113 ARG H H 113 7.960 8.410 -0.450 1
1 1021 . 13 1 1 A 113 113 ARG HA H 113 4.030 4.574 -0.544 1
1 1027 . 13 1 1 A 113 113 ARG CA C 113 55.200 55.445 -0.245 1
1 1028 . 13 1 1 A 113 113 ARG CB C 113 27.730 31.921 -4.191 1
1 1031 . 13 1 1 A 113 113 ARG N N 113 116.640 122.595 -5.955 1
1 1032 . 13 1 1 A 114 114 ARG H H 114 7.930 8.506 -0.576 1
1 1033 . 13 1 1 A 114 114 ARG HA H 114 4.000 4.588 -0.588 1
1 1040 . 13 1 1 A 114 114 ARG CA C 114 53.940 55.562 -1.622 1
1 1041 . 13 1 1 A 114 114 ARG CB C 114 30.550 32.331 -1.781 1
1 1044 . 13 1 1 A 114 114 ARG N N 114 116.380 122.084 -5.704 1
1 1045 . 13 1 1 A 115 115 LEU H H 115 8.000 7.937 0.063 1
1 1046 . 13 1 1 A 115 115 LEU HA H 115 4.320 4.634 -0.314 1
1 1056 . 13 1 1 A 115 115 LEU CA C 115 52.870 54.896 -2.026 1
1 1057 . 13 1 1 A 115 115 LEU CB C 115 39.640 44.076 -4.436 1
1 1061 . 13 1 1 A 115 115 LEU N N 115 120.260 114.562 5.698 1
1 1062 . 13 1 1 A 116 116 THR H H 116 7.970 7.881 0.089 1
1 1063 . 13 1 1 A 116 116 THR HA H 116 4.390 4.396 -0.006 1
1 1068 . 13 1 1 A 116 116 THR CA C 116 59.270 64.341 -5.071 1
1 1069 . 13 1 1 A 116 116 THR CB C 116 67.420 69.486 -2.066 1
1 1071 . 13 1 1 A 116 116 THR N N 116 113.250 115.172 -1.922 1
1 1072 . 13 1 1 A 117 117 VAL H H 117 8.070 8.085 -0.015 1
1 1073 . 13 1 1 A 117 117 VAL HA H 117 4.330 3.956 0.374 1
1 1078 . 13 1 1 A 117 117 VAL CA C 117 60.230 65.127 -4.897 1
1 1079 . 13 1 1 A 117 117 VAL CB C 117 30.360 31.831 -1.471 1
1 1081 . 13 1 1 A 117 117 VAL N N 117 120.990 119.532 1.458 1
1 1082 . 13 1 1 A 118 118 THR H H 118 8.210 8.026 0.184 1
1 1083 . 13 1 1 A 118 118 THR HA H 118 4.380 3.957 0.423 1
1 1088 . 13 1 1 A 118 118 THR CA C 118 58.770 63.066 -4.296 1
1 1089 . 13 1 1 A 118 118 THR CB C 118 67.420 67.581 -0.161 1
1 1091 . 13 1 1 A 118 118 THR N N 118 116.420 116.358 0.062 1
1 1098 . 13 2 2 B 6 6 GLU H H 6 8.780 8.324 0.456 1
1 1099 . 13 2 2 B 6 6 GLU HA H 6 4.160 4.372 -0.212 1
1 1104 . 13 2 2 B 8 8 ARG H H 8 8.200 8.357 -0.157 1
1 1105 . 13 2 2 B 8 8 ARG HA H 8 4.210 4.529 -0.319 1
1 1111 . 13 2 2 B 9 9 VAL H H 9 9.000 8.366 0.634 1
1 1112 . 13 2 2 B 9 9 VAL HA H 9 4.070 4.094 -0.024 1
1 1123 . 13 2 2 B 11 11 SER H H 11 8.490 8.848 -0.358 1
1 1126 . 13 2 2 B 12 12 SER HA H 12 4.410 5.291 -0.881 1
1 1129 . 13 2 2 B 13 13 VAL H H 13 8.800 8.732 0.068 1
1 1130 . 13 2 2 B 13 13 VAL HA H 13 4.010 4.862 -0.852 1
1 1138 . 13 2 2 B 14 14 PHE HA H 14 4.620 5.112 -0.492 1
1 1143 . 13 2 2 B 15 15 ILE H H 15 8.710 8.757 -0.047 1
1 1144 . 13 2 2 B 15 15 ILE HA H 15 4.140 4.527 -0.387 1
1 1154 . 13 2 2 B 16 16 THR HA H 16 4.220 5.452 -1.232 1
1 1159 . 13 2 2 B 17 17 LEU H H 17 8.270 8.967 -0.697 1
1 1160 . 13 2 2 B 17 17 LEU HA H 17 4.130 5.141 -1.011 1
1 1170 . 13 2 2 B 18 18 ALA HA H 18 4.500 4.769 -0.269 1
1 4 . 14 1 1 A 2 2 ILE H H 2 8.800 8.459 0.341 1
1 5 . 14 1 1 A 2 2 ILE N N 2 126.630 115.957 10.673 1
1 6 . 14 1 1 A 3 3 PRO HA H 3 4.360 4.158 0.202 1
1 13 . 14 1 1 A 3 3 PRO CA C 3 60.670 66.060 -5.390 1
1 14 . 14 1 1 A 3 3 PRO CB C 3 29.390 31.220 -1.830 1
1 17 . 14 1 1 A 4 4 GLU H H 4 8.270 8.239 0.031 1
1 18 . 14 1 1 A 4 4 GLU HA H 4 4.360 4.270 0.090 1
1 23 . 14 1 1 A 4 4 GLU CA C 4 53.690 58.138 -4.448 1
1 24 . 14 1 1 A 4 4 GLU CB C 4 29.430 29.602 -0.172 1
1 26 . 14 1 1 A 4 4 GLU N N 4 119.290 118.378 0.912 1
1 27 . 14 1 1 A 5 5 PHE H H 5 8.810 8.166 0.644 1
1 28 . 14 1 1 A 5 5 PHE N N 5 126.600 116.240 10.360 1
1 29 . 14 1 1 A 6 6 PHE H H 6 8.070 8.513 -0.443 1
1 30 . 14 1 1 A 6 6 PHE HA H 6 4.650 4.504 0.146 1
1 33 . 14 1 1 A 6 6 PHE CA C 6 54.920 58.972 -4.052 1
1 34 . 14 1 1 A 6 6 PHE CB C 6 37.190 39.339 -2.149 1
1 35 . 14 1 1 A 6 6 PHE N N 6 120.380 118.848 1.532 1
1 36 . 14 1 1 A 7 7 GLN H H 7 7.980 9.221 -1.241 1
1 37 . 14 1 1 A 7 7 GLN HA H 7 4.430 4.496 -0.066 1
1 42 . 14 1 1 A 7 7 GLN CA C 7 54.860 57.433 -2.573 1
1 43 . 14 1 1 A 7 7 GLN CB C 7 26.570 28.584 -2.014 1
1 45 . 14 1 1 A 7 7 GLN N N 7 119.930 119.397 0.533 1
1 46 . 14 1 1 A 8 8 PHE H H 8 8.030 8.174 -0.144 1
1 47 . 14 1 1 A 8 8 PHE HA H 8 4.630 4.896 -0.266 1
1 50 . 14 1 1 A 8 8 PHE CA C 8 55.020 59.126 -4.106 1
1 51 . 14 1 1 A 8 8 PHE CB C 8 36.840 41.904 -5.064 1
1 52 . 14 1 1 A 8 8 PHE N N 8 119.560 119.523 0.037 1
1 53 . 14 1 1 A 9 9 THR H H 9 8.040 8.143 -0.103 1
1 54 . 14 1 1 A 9 9 THR HA H 9 4.300 4.511 -0.211 1
1 59 . 14 1 1 A 9 9 THR CA C 9 59.410 62.049 -2.639 1
1 60 . 14 1 1 A 9 9 THR CB C 9 67.440 69.273 -1.833 1
1 62 . 14 1 1 A 9 9 THR N N 9 114.650 112.325 2.325 1
1 63 . 14 1 1 A 10 10 VAL H H 10 8.070 7.991 0.079 1
1 64 . 14 1 1 A 10 10 VAL HA H 10 4.210 3.806 0.404 1
1 72 . 14 1 1 A 10 10 VAL CA C 10 59.470 64.662 -5.192 1
1 73 . 14 1 1 A 10 10 VAL CB C 10 30.180 32.522 -2.342 1
1 75 . 14 1 1 A 10 10 VAL N N 10 120.380 121.780 -1.400 1
1 76 . 14 1 1 A 11 11 GLY H H 11 8.200 7.701 0.499 1
1 77 . 14 1 1 A 11 11 GLY HA2 H 11 4.090 3.976 0.114 1
1 78 . 14 1 1 A 11 11 GLY HA3 H 11 4.000 3.990 0.010 1
1 79 . 14 1 1 A 11 11 GLY CA C 11 41.420 45.501 -4.081 1
1 80 . 14 1 1 A 11 11 GLY N N 11 110.910 109.099 1.811 1
1 81 . 14 1 1 A 12 12 PRO HA H 12 4.360 4.555 -0.195 1
1 88 . 14 1 1 A 12 12 PRO CA C 12 60.590 63.186 -2.596 1
1 89 . 14 1 1 A 12 12 PRO CB C 12 33.600 31.042 2.558 1
1 92 . 14 1 1 A 13 13 LEU H H 13 8.360 9.099 -0.739 1
1 93 . 14 1 1 A 13 13 LEU HA H 13 4.340 3.850 0.490 1
1 103 . 14 1 1 A 13 13 LEU CA C 13 52.800 56.233 -3.433 1
1 104 . 14 1 1 A 13 13 LEU CB C 13 39.650 40.526 -0.876 1
1 108 . 14 1 1 A 13 13 LEU N N 13 120.390 114.961 5.429 1
1 109 . 14 1 1 A 14 14 GLY H H 14 8.240 8.373 -0.133 1
1 110 . 14 1 1 A 14 14 GLY HA2 H 14 3.960 3.910 0.050 1
1 111 . 14 1 1 A 14 14 GLY HA3 H 14 3.660 3.943 -0.283 1
1 112 . 14 1 1 A 14 14 GLY CA C 14 40.240 45.313 -5.073 1
1 113 . 14 1 1 A 14 14 GLY N N 14 107.860 105.301 2.559 1
1 114 . 14 1 1 A 15 15 GLU H H 15 8.250 9.588 -1.338 1
1 115 . 14 1 1 A 15 15 GLU HA H 15 4.360 4.080 0.280 1
1 120 . 14 1 1 A 15 15 GLU CA C 15 53.920 57.599 -3.679 1
1 121 . 14 1 1 A 15 15 GLU CB C 15 27.800 28.979 -1.179 1
1 123 . 14 1 1 A 15 15 GLU N N 15 118.800 119.607 -0.807 1
1 124 . 14 1 1 A 16 16 GLY H H 16 8.460 8.580 -0.120 1
1 125 . 14 1 1 A 16 16 GLY HA2 H 16 3.960 4.040 -0.080 1
1 126 . 14 1 1 A 16 16 GLY HA3 H 16 3.880 4.060 -0.180 1
1 127 . 14 1 1 A 16 16 GLY CA C 16 42.490 44.973 -2.483 1
1 128 . 14 1 1 A 16 16 GLY N N 16 108.190 107.150 1.040 1
1 129 . 14 1 1 A 17 17 GLY H H 17 8.300 8.561 -0.261 1
1 130 . 14 1 1 A 17 17 GLY HA2 H 17 4.430 4.117 0.313 1
1 131 . 14 1 1 A 17 17 GLY HA3 H 17 3.780 4.271 -0.491 1
1 132 . 14 1 1 A 17 17 GLY CA C 17 42.550 45.852 -3.302 1
1 133 . 14 1 1 A 17 17 GLY N N 17 105.790 114.465 -8.675 1
1 134 . 14 1 1 A 18 18 ALA H H 18 8.800 9.165 -0.365 1
1 135 . 14 1 1 A 18 18 ALA HA H 18 3.760 4.459 -0.699 1
1 139 . 14 1 1 A 18 18 ALA CA C 18 52.780 53.889 -1.109 1
1 140 . 14 1 1 A 18 18 ALA CB C 18 16.810 18.588 -1.778 1
1 141 . 14 1 1 A 18 18 ALA N N 18 120.770 124.315 -3.545 1
1 142 . 14 1 1 A 19 19 HIS H H 19 8.230 8.081 0.149 1
1 143 . 14 1 1 A 19 19 HIS HA H 19 4.410 4.420 -0.010 1
1 146 . 14 1 1 A 19 19 HIS CA C 19 54.740 57.623 -2.883 1
1 147 . 14 1 1 A 19 19 HIS CB C 19 26.240 30.658 -4.418 1
1 148 . 14 1 1 A 19 19 HIS N N 19 109.490 118.109 -8.619 1
1 149 . 14 1 1 A 20 20 LYS H H 20 7.570 8.704 -1.134 1
1 150 . 14 1 1 A 20 20 LYS HA H 20 4.170 4.329 -0.159 1
1 159 . 14 1 1 A 20 20 LYS CA C 20 52.100 55.972 -3.872 1
1 160 . 14 1 1 A 20 20 LYS CB C 20 29.850 33.751 -3.901 1
1 164 . 14 1 1 A 20 20 LYS N N 20 115.920 113.251 2.669 1
1 165 . 14 1 1 A 21 21 VAL H H 21 7.460 7.207 0.253 1
1 166 . 14 1 1 A 21 21 VAL HA H 21 4.270 4.046 0.224 1
1 174 . 14 1 1 A 21 21 VAL CA C 21 60.730 62.023 -1.293 1
1 175 . 14 1 1 A 21 21 VAL CB C 21 29.340 31.954 -2.614 1
1 178 . 14 1 1 A 21 21 VAL N N 21 122.030 121.727 0.303 1
1 179 . 14 1 1 A 22 22 ARG H H 22 7.840 9.259 -1.419 1
1 180 . 14 1 1 A 22 22 ARG HA H 22 5.100 5.209 -0.109 1
1 187 . 14 1 1 A 22 22 ARG CA C 22 51.230 54.570 -3.340 1
1 188 . 14 1 1 A 22 22 ARG CB C 22 31.930 32.452 -0.522 1
1 191 . 14 1 1 A 22 22 ARG N N 22 121.520 129.858 -8.338 1
1 192 . 14 1 1 A 23 23 ALA H H 23 8.920 8.820 0.100 1
1 193 . 14 1 1 A 23 23 ALA HA H 23 5.580 5.537 0.043 1
1 197 . 14 1 1 A 23 23 ALA CA C 23 47.810 51.476 -3.666 1
1 198 . 14 1 1 A 23 23 ALA CB C 23 21.660 21.583 0.077 1
1 199 . 14 1 1 A 23 23 ALA N N 23 123.300 127.447 -4.147 1
1 200 . 14 1 1 A 24 24 GLY H H 24 8.450 8.268 0.182 1
1 201 . 14 1 1 A 24 24 GLY HA2 H 24 4.200 4.323 -0.123 1
1 202 . 14 1 1 A 24 24 GLY HA3 H 24 4.160 4.326 -0.166 1
1 203 . 14 1 1 A 24 24 GLY CA C 24 43.560 45.211 -1.651 1
1 204 . 14 1 1 A 24 24 GLY N N 24 104.220 109.193 -4.973 1
1 205 . 14 1 1 A 25 25 GLY H H 25 8.770 8.446 0.324 1
1 206 . 14 1 1 A 25 25 GLY HA2 H 25 4.880 4.288 0.592 1
1 207 . 14 1 1 A 25 25 GLY HA3 H 25 4.050 4.386 -0.336 1
1 208 . 14 1 1 A 25 25 GLY CA C 25 42.110 46.080 -3.970 1
1 209 . 14 1 1 A 25 25 GLY N N 25 109.590 110.054 -0.464 1
1 210 . 14 1 1 A 26 26 THR H H 26 8.620 8.700 -0.080 1
1 211 . 14 1 1 A 26 26 THR HA H 26 4.030 4.114 -0.084 1
1 216 . 14 1 1 A 26 26 THR CA C 26 63.280 65.142 -1.862 1
1 217 . 14 1 1 A 26 26 THR CB C 26 65.990 68.944 -2.954 1
1 219 . 14 1 1 A 26 26 THR N N 26 113.050 113.130 -0.080 1
1 220 . 14 1 1 A 27 27 GLY H H 27 9.040 8.242 0.798 1
1 221 . 14 1 1 A 27 27 GLY HA2 H 27 4.270 4.120 0.150 1
1 222 . 14 1 1 A 27 27 GLY HA3 H 27 3.390 4.233 -0.843 1
1 223 . 14 1 1 A 27 27 GLY CA C 27 44.250 46.549 -2.299 1
1 224 . 14 1 1 A 27 27 GLY N N 27 105.190 111.269 -6.079 1
1 225 . 14 1 1 A 28 28 LEU H H 28 7.450 7.968 -0.518 1
1 226 . 14 1 1 A 28 28 LEU HA H 28 4.210 4.465 -0.255 1
1 236 . 14 1 1 A 28 28 LEU CA C 28 51.150 54.552 -3.402 1
1 237 . 14 1 1 A 28 28 LEU CB C 28 37.670 41.552 -3.882 1
1 241 . 14 1 1 A 28 28 LEU N N 28 114.980 119.975 -4.995 1
1 242 . 14 1 1 A 29 29 GLU H H 29 7.980 7.668 0.312 1
1 243 . 14 1 1 A 29 29 GLU HA H 29 4.540 4.532 0.008 1
1 248 . 14 1 1 A 29 29 GLU CA C 29 54.910 57.112 -2.202 1
1 249 . 14 1 1 A 29 29 GLU CB C 29 29.430 32.686 -3.256 1
1 251 . 14 1 1 A 29 29 GLU N N 29 117.810 117.524 0.286 1
1 252 . 14 1 1 A 30 30 ARG H H 30 8.340 7.489 0.851 1
1 253 . 14 1 1 A 30 30 ARG HA H 30 4.720 4.714 0.006 1
1 260 . 14 1 1 A 30 30 ARG CA C 30 53.350 54.992 -1.642 1
1 261 . 14 1 1 A 30 30 ARG CB C 30 29.440 32.486 -3.046 1
1 264 . 14 1 1 A 30 30 ARG N N 30 112.890 115.023 -2.133 1
1 265 . 14 1 1 A 31 31 GLY H H 31 8.100 8.007 0.093 1
1 266 . 14 1 1 A 31 31 GLY HA2 H 31 4.540 4.437 0.103 1
1 267 . 14 1 1 A 31 31 GLY HA3 H 31 3.610 4.461 -0.851 1
1 268 . 14 1 1 A 31 31 GLY CA C 31 41.630 45.422 -3.792 1
1 269 . 14 1 1 A 31 31 GLY N N 31 103.670 106.503 -2.833 1
1 270 . 14 1 1 A 32 32 VAL H H 32 9.410 8.501 0.909 1
1 271 . 14 1 1 A 32 32 VAL HA H 32 4.450 5.117 -0.667 1
1 279 . 14 1 1 A 32 32 VAL CA C 32 58.730 59.978 -1.248 1
1 280 . 14 1 1 A 32 32 VAL CB C 32 32.560 35.690 -3.130 1
1 283 . 14 1 1 A 32 32 VAL N N 32 122.160 120.490 1.670 1
1 284 . 14 1 1 A 33 33 ALA H H 33 8.560 8.541 0.019 1
1 285 . 14 1 1 A 33 33 ALA HA H 33 3.620 3.991 -0.371 1
1 289 . 14 1 1 A 33 33 ALA CA C 33 50.860 53.980 -3.120 1
1 290 . 14 1 1 A 33 33 ALA CB C 33 14.450 18.564 -4.114 1
1 291 . 14 1 1 A 33 33 ALA N N 33 129.490 129.484 0.006 1
1 292 . 14 1 1 A 34 34 GLY H H 34 8.590 8.832 -0.242 1
1 293 . 14 1 1 A 34 34 GLY HA2 H 34 4.320 3.904 0.416 1
1 294 . 14 1 1 A 34 34 GLY HA3 H 34 3.420 3.906 -0.486 1
1 295 . 14 1 1 A 34 34 GLY CA C 34 42.710 47.134 -4.424 1
1 296 . 14 1 1 A 34 34 GLY N N 34 106.900 111.778 -4.878 1
1 297 . 14 1 1 A 35 35 VAL H H 35 7.840 7.412 0.428 1
1 298 . 14 1 1 A 35 35 VAL HA H 35 4.450 4.396 0.054 1
1 306 . 14 1 1 A 35 35 VAL CA C 35 56.660 59.001 -2.341 1
1 307 . 14 1 1 A 35 35 VAL CB C 35 32.030 34.965 -2.935 1
1 310 . 14 1 1 A 35 35 VAL N N 35 121.520 119.343 2.177 1
1 311 . 14 1 1 A 36 36 PRO HA H 36 4.260 4.480 -0.220 1
1 318 . 14 1 1 A 36 36 PRO CA C 36 60.720 62.658 -1.938 1
1 319 . 14 1 1 A 36 36 PRO CB C 36 28.760 32.286 -3.526 1
1 322 . 14 1 1 A 37 37 ALA H H 37 8.920 8.002 0.918 1
1 323 . 14 1 1 A 37 37 ALA HA H 37 4.490 4.850 -0.360 1
1 327 . 14 1 1 A 37 37 ALA CA C 37 47.550 50.455 -2.905 1
1 328 . 14 1 1 A 37 37 ALA CB C 37 17.110 24.140 -7.030 1
1 329 . 14 1 1 A 37 37 ALA N N 37 129.160 121.678 7.482 1
1 330 . 14 1 1 A 38 38 GLU H H 38 8.470 8.889 -0.419 1
1 331 . 14 1 1 A 38 38 GLU HA H 38 4.330 5.203 -0.873 1
1 336 . 14 1 1 A 38 38 GLU CA C 38 52.150 55.167 -3.017 1
1 337 . 14 1 1 A 38 38 GLU CB C 38 31.010 33.927 -2.917 1
1 339 . 14 1 1 A 38 38 GLU N N 38 117.150 115.813 1.337 1
1 340 . 14 1 1 A 39 39 PHE H H 39 8.870 8.532 0.338 1
1 341 . 14 1 1 A 39 39 PHE HA H 39 4.520 5.207 -0.687 1
1 344 . 14 1 1 A 39 39 PHE CA C 39 54.670 56.235 -1.565 1
1 345 . 14 1 1 A 39 39 PHE CB C 39 37.170 41.094 -3.924 1
1 346 . 14 1 1 A 39 39 PHE N N 39 115.740 117.982 -2.242 1
1 347 . 14 1 1 A 40 40 SER H H 40 8.870 8.331 0.539 1
1 348 . 14 1 1 A 40 40 SER HA H 40 5.420 5.087 0.333 1
1 351 . 14 1 1 A 40 40 SER CA C 40 54.890 57.690 -2.800 1
1 352 . 14 1 1 A 40 40 SER CB C 40 63.790 64.886 -1.096 1
1 353 . 14 1 1 A 40 40 SER N N 40 113.140 116.262 -3.122 1
1 354 . 14 1 1 A 41 41 ILE H H 41 8.410 9.359 -0.949 1
1 355 . 14 1 1 A 41 41 ILE HA H 41 4.670 4.922 -0.252 1
1 365 . 14 1 1 A 41 41 ILE CA C 41 57.640 60.896 -3.256 1
1 366 . 14 1 1 A 41 41 ILE CB C 41 38.260 39.791 -1.531 1
1 370 . 14 1 1 A 41 41 ILE N N 41 118.020 123.565 -5.545 1
1 371 . 14 1 1 A 42 42 TRP H H 42 9.580 8.709 0.871 1
1 372 . 14 1 1 A 42 42 TRP HA H 42 4.870 5.045 -0.175 1
1 375 . 14 1 1 A 42 42 TRP CA C 42 56.240 57.161 -0.921 1
1 376 . 14 1 1 A 42 42 TRP CB C 42 27.690 31.070 -3.380 1
1 377 . 14 1 1 A 42 42 TRP N N 42 126.430 130.527 -4.097 1
1 378 . 14 1 1 A 43 43 THR H H 43 8.370 7.893 0.477 1
1 379 . 14 1 1 A 43 43 THR HA H 43 3.800 3.920 -0.120 1
1 384 . 14 1 1 A 43 43 THR CA C 43 59.210 60.639 -1.429 1
1 385 . 14 1 1 A 43 43 THR CB C 43 67.070 68.971 -1.901 1
1 387 . 14 1 1 A 43 43 THR N N 43 112.460 118.795 -6.335 1
1 388 . 14 1 1 A 44 44 ARG HA H 44 3.910 3.698 0.212 1
1 395 . 14 1 1 A 44 44 ARG CA C 44 57.190 56.561 0.629 1
1 396 . 14 1 1 A 44 44 ARG CB C 44 27.710 28.636 -0.926 1
1 399 . 14 1 1 A 45 45 GLU H H 45 8.260 7.888 0.372 1
1 400 . 14 1 1 A 45 45 GLU HA H 45 4.160 4.491 -0.331 1
1 405 . 14 1 1 A 45 45 GLU CA C 45 54.510 57.806 -3.296 1
1 406 . 14 1 1 A 45 45 GLU CB C 45 27.510 31.389 -3.879 1
1 408 . 14 1 1 A 45 45 GLU N N 45 113.080 125.183 -12.103 1
1 409 . 14 1 1 A 46 46 ALA H H 46 7.550 8.262 -0.712 1
1 410 . 14 1 1 A 46 46 ALA HA H 46 3.870 4.118 -0.248 1
1 414 . 14 1 1 A 46 46 ALA CA C 46 50.350 54.783 -4.433 1
1 415 . 14 1 1 A 46 46 ALA CB C 46 18.120 19.597 -1.477 1
1 416 . 14 1 1 A 46 46 ALA N N 46 119.560 122.655 -3.095 1
1 417 . 14 1 1 A 47 47 GLY H H 47 7.450 7.390 0.060 1
1 418 . 14 1 1 A 47 47 GLY HA2 H 47 4.180 4.120 0.060 1
1 419 . 14 1 1 A 47 47 GLY HA3 H 47 3.630 4.137 -0.507 1
1 420 . 14 1 1 A 47 47 GLY CA C 47 41.940 45.236 -3.296 1
1 421 . 14 1 1 A 47 47 GLY N N 47 102.870 102.265 0.605 1
1 422 . 14 1 1 A 48 48 ALA H H 48 8.220 8.267 -0.047 1
1 423 . 14 1 1 A 48 48 ALA HA H 48 4.290 4.421 -0.131 1
1 427 . 14 1 1 A 48 48 ALA CA C 48 49.360 52.750 -3.390 1
1 428 . 14 1 1 A 48 48 ALA CB C 48 16.590 19.311 -2.721 1
1 429 . 14 1 1 A 48 48 ALA N N 48 120.390 123.481 -3.091 1
1 430 . 14 1 1 A 49 49 GLY H H 49 8.000 8.364 -0.364 1
1 431 . 14 1 1 A 49 49 GLY HA2 H 49 3.720 3.399 0.321 1
1 432 . 14 1 1 A 49 49 GLY HA3 H 49 3.720 3.971 -0.251 1
1 433 . 14 1 1 A 49 49 GLY CA C 49 43.000 45.476 -2.476 1
1 434 . 14 1 1 A 49 49 GLY N N 49 106.720 107.322 -0.602 1
1 435 . 14 1 1 A 50 50 GLY H H 50 7.580 8.123 -0.543 1
1 436 . 14 1 1 A 50 50 GLY N N 50 104.780 107.555 -2.775 1
1 437 . 14 1 1 A 51 51 LEU HA H 51 5.300 5.100 0.200 1
1 444 . 14 1 1 A 51 51 LEU CA C 51 50.270 54.052 -3.782 1
1 445 . 14 1 1 A 51 51 LEU CB C 51 42.930 43.884 -0.954 1
1 448 . 14 1 1 A 52 52 SER H H 52 9.110 8.443 0.667 1
1 449 . 14 1 1 A 52 52 SER HA H 52 5.180 4.977 0.203 1
1 452 . 14 1 1 A 52 52 SER CA C 52 53.700 58.046 -4.346 1
1 453 . 14 1 1 A 52 52 SER CB C 52 63.000 63.937 -0.937 1
1 454 . 14 1 1 A 52 52 SER N N 52 117.210 123.575 -6.365 1
1 455 . 14 1 1 A 53 53 ILE H H 53 8.330 8.698 -0.368 1
1 456 . 14 1 1 A 53 53 ILE HA H 53 4.930 5.052 -0.122 1
1 466 . 14 1 1 A 53 53 ILE CA C 53 57.220 60.465 -3.245 1
1 467 . 14 1 1 A 53 53 ILE CB C 53 37.710 41.066 -3.356 1
1 471 . 14 1 1 A 53 53 ILE N N 53 124.030 125.309 -1.279 1
1 472 . 14 1 1 A 54 54 ALA H H 54 8.920 8.517 0.403 1
1 473 . 14 1 1 A 54 54 ALA HA H 54 5.390 5.005 0.385 1
1 477 . 14 1 1 A 54 54 ALA CA C 54 47.440 50.324 -2.884 1
1 478 . 14 1 1 A 54 54 ALA CB C 54 19.810 20.241 -0.431 1
1 479 . 14 1 1 A 54 54 ALA N N 54 126.530 130.746 -4.216 1
1 480 . 14 1 1 A 55 55 VAL H H 55 9.010 8.984 0.026 1
1 481 . 14 1 1 A 55 55 VAL HA H 55 4.830 4.997 -0.167 1
1 489 . 14 1 1 A 55 55 VAL CA C 55 58.430 61.380 -2.950 1
1 490 . 14 1 1 A 55 55 VAL CB C 55 31.020 33.009 -1.989 1
1 493 . 14 1 1 A 55 55 VAL N N 55 119.590 123.666 -4.076 1
1 494 . 14 1 1 A 56 56 GLU H H 56 9.270 8.940 0.330 1
1 495 . 14 1 1 A 56 56 GLU HA H 56 4.690 5.363 -0.673 1
1 500 . 14 1 1 A 56 56 GLU CA C 56 52.000 54.915 -2.915 1
1 501 . 14 1 1 A 56 56 GLU CB C 56 31.050 33.548 -2.498 1
1 503 . 14 1 1 A 56 56 GLU N N 56 127.360 126.959 0.401 1
1 504 . 14 1 1 A 57 57 GLY H H 57 8.620 8.225 0.395 1
1 505 . 14 1 1 A 57 57 GLY N N 57 108.540 112.004 -3.464 1
1 506 . 14 1 1 A 58 58 PRO HA H 58 4.480 4.335 0.145 1
1 513 . 14 1 1 A 58 58 PRO CA C 58 61.850 64.375 -2.525 1
1 514 . 14 1 1 A 58 58 PRO CB C 58 29.820 32.135 -2.315 1
1 517 . 14 1 1 A 59 59 SER H H 59 7.200 7.325 -0.125 1
1 518 . 14 1 1 A 59 59 SER HA H 59 4.620 5.039 -0.419 1
1 521 . 14 1 1 A 59 59 SER CA C 59 55.050 57.237 -2.187 1
1 522 . 14 1 1 A 59 59 SER CB C 59 63.650 66.256 -2.606 1
1 523 . 14 1 1 A 59 59 SER N N 59 106.970 108.326 -1.356 1
1 524 . 14 1 1 A 60 60 LYS H H 60 8.570 8.359 0.211 1
1 525 . 14 1 1 A 60 60 LYS HA H 60 4.000 4.674 -0.674 1
1 534 . 14 1 1 A 60 60 LYS CA C 60 54.090 56.319 -2.229 1
1 535 . 14 1 1 A 60 60 LYS CB C 60 30.480 33.224 -2.744 1
1 539 . 14 1 1 A 60 60 LYS N N 60 118.890 121.361 -2.471 1
1 540 . 14 1 1 A 61 61 ALA H H 61 8.830 8.655 0.175 1
1 541 . 14 1 1 A 61 61 ALA HA H 61 4.930 4.906 0.024 1
1 545 . 14 1 1 A 61 61 ALA CA C 61 47.980 52.018 -4.038 1
1 546 . 14 1 1 A 61 61 ALA CB C 61 17.500 19.560 -2.060 1
1 547 . 14 1 1 A 61 61 ALA N N 61 127.130 128.892 -1.762 1
1 548 . 14 1 1 A 62 62 GLU H H 62 8.440 8.375 0.065 1
1 549 . 14 1 1 A 62 62 GLU HA H 62 4.610 4.488 0.122 1
1 554 . 14 1 1 A 62 62 GLU CA C 62 52.800 56.273 -3.473 1
1 555 . 14 1 1 A 62 62 GLU CB C 62 27.620 30.767 -3.147 1
1 557 . 14 1 1 A 62 62 GLU N N 62 121.980 123.332 -1.352 1
1 558 . 14 1 1 A 63 63 ILE H H 63 8.710 8.525 0.185 1
1 559 . 14 1 1 A 63 63 ILE HA H 63 4.710 5.127 -0.417 1
1 569 . 14 1 1 A 63 63 ILE CA C 63 58.480 59.883 -1.403 1
1 570 . 14 1 1 A 63 63 ILE CB C 63 37.820 42.436 -4.616 1
1 574 . 14 1 1 A 63 63 ILE N N 63 125.400 124.175 1.225 1
1 575 . 14 1 1 A 64 64 ALA H H 64 9.350 8.618 0.732 1
1 576 . 14 1 1 A 64 64 ALA HA H 64 5.400 4.962 0.438 1
1 580 . 14 1 1 A 64 64 ALA CA C 64 47.440 51.635 -4.195 1
1 581 . 14 1 1 A 64 64 ALA CB C 64 19.750 21.393 -1.643 1
1 582 . 14 1 1 A 64 64 ALA N N 64 130.180 125.610 4.570 1
1 583 . 14 1 1 A 65 65 PHE H H 65 8.120 8.459 -0.339 1
1 584 . 14 1 1 A 65 65 PHE HA H 65 5.410 5.243 0.167 1
1 587 . 14 1 1 A 65 65 PHE CA C 65 53.210 55.823 -2.613 1
1 588 . 14 1 1 A 65 65 PHE CB C 65 40.490 40.540 -0.050 1
1 589 . 14 1 1 A 65 65 PHE N N 65 115.800 121.205 -5.405 1
1 590 . 14 1 1 A 66 66 GLU H H 66 8.360 9.028 -0.668 1
1 591 . 14 1 1 A 66 66 GLU HA H 66 4.700 4.812 -0.112 1
1 596 . 14 1 1 A 66 66 GLU CA C 66 52.100 54.997 -2.897 1
1 597 . 14 1 1 A 66 66 GLU CB C 66 30.280 33.462 -3.182 1
1 599 . 14 1 1 A 66 66 GLU N N 66 120.390 123.097 -2.707 1
1 600 . 14 1 1 A 67 67 ASP H H 67 8.880 8.938 -0.058 1
1 601 . 14 1 1 A 67 67 ASP HA H 67 5.120 4.808 0.312 1
1 604 . 14 1 1 A 67 67 ASP CA C 67 51.070 54.051 -2.981 1
1 605 . 14 1 1 A 67 67 ASP CB C 67 38.310 41.217 -2.907 1
1 606 . 14 1 1 A 67 67 ASP N N 67 124.860 126.224 -1.364 1
1 607 . 14 1 1 A 68 68 ARG H H 68 8.330 9.137 -0.807 1
1 608 . 14 1 1 A 68 68 ARG HA H 68 4.170 4.427 -0.257 1
1 613 . 14 1 1 A 68 68 ARG CA C 68 54.170 57.459 -3.289 1
1 614 . 14 1 1 A 68 68 ARG CB C 68 27.740 31.151 -3.411 1
1 615 . 14 1 1 A 68 68 ARG N N 68 125.010 123.683 1.327 1
1 616 . 14 1 1 A 69 69 LYS H H 69 7.980 7.699 0.281 1
1 617 . 14 1 1 A 69 69 LYS HA H 69 4.030 4.492 -0.462 1
1 626 . 14 1 1 A 69 69 LYS CA C 69 55.530 55.091 0.439 1
1 627 . 14 1 1 A 69 69 LYS CB C 69 26.220 33.351 -7.131 1
1 631 . 14 1 1 A 69 69 LYS N N 69 118.110 116.274 1.836 1
1 632 . 14 1 1 A 70 70 ASP H H 70 7.930 8.284 -0.354 1
1 633 . 14 1 1 A 70 70 ASP HA H 70 4.330 4.491 -0.161 1
1 636 . 14 1 1 A 70 70 ASP CA C 70 52.540 55.730 -3.190 1
1 637 . 14 1 1 A 70 70 ASP CB C 70 40.020 40.542 -0.522 1
1 638 . 14 1 1 A 70 70 ASP N N 70 116.380 117.948 -1.568 1
1 639 . 14 1 1 A 71 71 GLY H H 71 9.080 8.330 0.750 1
1 640 . 14 1 1 A 71 71 GLY HA2 H 71 4.200 3.981 0.219 1
1 641 . 14 1 1 A 71 71 GLY HA3 H 71 3.630 4.098 -0.468 1
1 642 . 14 1 1 A 71 71 GLY CA C 71 42.480 45.943 -3.463 1
1 643 . 14 1 1 A 71 71 GLY N N 71 108.240 107.318 0.922 1
1 644 . 14 1 1 A 72 72 SER H H 72 8.400 7.840 0.560 1
1 645 . 14 1 1 A 72 72 SER HA H 72 5.470 4.804 0.666 1
1 648 . 14 1 1 A 72 72 SER CA C 72 54.440 57.254 -2.814 1
1 649 . 14 1 1 A 72 72 SER CB C 72 65.130 64.602 0.528 1
1 650 . 14 1 1 A 72 72 SER N N 72 116.980 112.761 4.219 1
1 651 . 14 1 1 A 73 73 CYS H H 73 8.810 8.838 -0.028 1
1 652 . 14 1 1 A 73 73 CYS HA H 73 5.210 5.111 0.099 1
1 655 . 14 1 1 A 73 73 CYS CA C 73 53.240 57.804 -4.564 1
1 656 . 14 1 1 A 73 73 CYS CB C 73 28.520 29.209 -0.689 1
1 657 . 14 1 1 A 73 73 CYS N N 73 114.140 125.721 -11.581 1
1 658 . 14 1 1 A 74 74 GLY H H 74 8.880 8.603 0.277 1
1 659 . 14 1 1 A 74 74 GLY HA2 H 74 4.540 4.047 0.493 1
1 660 . 14 1 1 A 74 74 GLY HA3 H 74 3.610 4.118 -0.508 1
1 661 . 14 1 1 A 74 74 GLY CA C 74 41.630 44.626 -2.996 1
1 662 . 14 1 1 A 74 74 GLY N N 74 110.010 113.117 -3.107 1
1 663 . 14 1 1 A 75 75 VAL H H 75 8.480 8.835 -0.355 1
1 664 . 14 1 1 A 75 75 VAL HA H 75 4.550 4.793 -0.243 1
1 672 . 14 1 1 A 75 75 VAL CA C 75 57.860 61.242 -3.382 1
1 673 . 14 1 1 A 75 75 VAL CB C 75 30.530 31.796 -1.266 1
1 676 . 14 1 1 A 75 75 VAL N N 75 122.510 126.582 -4.072 1
1 677 . 14 1 1 A 76 76 SER H H 76 8.700 9.581 -0.881 1
1 678 . 14 1 1 A 76 76 SER HA H 76 5.540 5.109 0.431 1
1 681 . 14 1 1 A 76 76 SER CA C 76 53.360 57.797 -4.437 1
1 682 . 14 1 1 A 76 76 SER CB C 76 63.190 64.157 -0.967 1
1 683 . 14 1 1 A 76 76 SER N N 76 118.910 124.051 -5.141 1
1 684 . 14 1 1 A 77 77 TYR H H 77 8.960 8.841 0.119 1
1 685 . 14 1 1 A 77 77 TYR HA H 77 4.420 5.808 -1.388 1
1 688 . 14 1 1 A 77 77 TYR CA C 77 52.780 55.638 -2.858 1
1 689 . 14 1 1 A 77 77 TYR CB C 77 39.950 41.605 -1.655 1
1 690 . 14 1 1 A 77 77 TYR N N 77 118.060 121.531 -3.471 1
1 691 . 14 1 1 A 78 78 VAL H H 78 8.160 8.486 -0.326 1
1 692 . 14 1 1 A 78 78 VAL HA H 78 4.320 4.679 -0.359 1
1 700 . 14 1 1 A 78 78 VAL CA C 78 57.510 60.306 -2.796 1
1 701 . 14 1 1 A 78 78 VAL CB C 78 32.620 34.898 -2.278 1
1 704 . 14 1 1 A 78 78 VAL N N 78 116.800 121.146 -4.346 1
1 705 . 14 1 1 A 79 79 VAL H H 79 8.730 8.705 0.025 1
1 706 . 14 1 1 A 79 79 VAL HA H 79 4.760 4.400 0.360 1
1 714 . 14 1 1 A 79 79 VAL CA C 79 55.750 60.986 -5.236 1
1 715 . 14 1 1 A 79 79 VAL CB C 79 30.530 33.098 -2.568 1
1 718 . 14 1 1 A 79 79 VAL N N 79 119.730 125.742 -6.012 1
1 719 . 14 1 1 A 80 80 GLN H H 80 8.030 8.716 -0.686 1
1 720 . 14 1 1 A 80 80 GLN HA H 80 4.240 4.405 -0.165 1
1 725 . 14 1 1 A 80 80 GLN CA C 80 53.910 57.088 -3.178 1
1 726 . 14 1 1 A 80 80 GLN CB C 80 27.130 30.515 -3.385 1
1 728 . 14 1 1 A 80 80 GLN N N 80 116.150 122.864 -6.714 1
1 729 . 14 1 1 A 81 81 GLU H H 81 7.070 7.832 -0.762 1
1 730 . 14 1 1 A 81 81 GLU HA H 81 5.010 4.879 0.131 1
1 735 . 14 1 1 A 81 81 GLU CA C 81 49.600 53.452 -3.852 1
1 736 . 14 1 1 A 81 81 GLU CB C 81 29.410 32.308 -2.898 1
1 738 . 14 1 1 A 81 81 GLU N N 81 113.990 116.823 -2.833 1
1 739 . 14 1 1 A 82 82 PRO HA H 82 5.040 4.389 0.651 1
1 746 . 14 1 1 A 82 82 PRO CA C 82 59.910 63.723 -3.813 1
1 747 . 14 1 1 A 82 82 PRO CB C 82 29.280 32.396 -3.116 1
1 750 . 14 1 1 A 83 83 GLY H H 83 8.840 7.800 1.040 1
1 751 . 14 1 1 A 83 83 GLY CA C 83 41.780 44.667 -2.887 1
1 752 . 14 1 1 A 83 83 GLY N N 83 104.910 107.847 -2.937 1
1 753 . 14 1 1 A 84 84 ASP H H 84 8.250 8.295 -0.045 1
1 754 . 14 1 1 A 84 84 ASP HA H 84 5.260 5.204 0.056 1
1 757 . 14 1 1 A 84 84 ASP CA C 84 51.540 53.151 -1.611 1
1 758 . 14 1 1 A 84 84 ASP CB C 84 38.700 41.080 -2.380 1
1 759 . 14 1 1 A 84 84 ASP N N 84 118.800 120.656 -1.856 1
1 760 . 14 1 1 A 85 85 TYR H H 85 8.810 8.569 0.241 1
1 761 . 14 1 1 A 85 85 TYR HA H 85 3.970 5.002 -1.032 1
1 764 . 14 1 1 A 85 85 TYR CA C 85 53.930 58.780 -4.850 1
1 765 . 14 1 1 A 85 85 TYR CB C 85 37.760 39.496 -1.736 1
1 766 . 14 1 1 A 85 85 TYR N N 85 121.630 124.812 -3.182 1
1 767 . 14 1 1 A 86 86 GLU H H 86 9.320 8.784 0.536 1
1 768 . 14 1 1 A 86 86 GLU HA H 86 5.260 4.946 0.314 1
1 773 . 14 1 1 A 86 86 GLU CA C 86 52.350 54.946 -2.596 1
1 774 . 14 1 1 A 86 86 GLU CB C 86 30.070 32.280 -2.210 1
1 776 . 14 1 1 A 86 86 GLU N N 86 120.420 123.002 -2.582 1
1 777 . 14 1 1 A 87 87 VAL H H 87 9.810 8.291 1.519 1
1 778 . 14 1 1 A 87 87 VAL HA H 87 4.990 5.123 -0.133 1
1 786 . 14 1 1 A 87 87 VAL CA C 87 58.590 59.108 -0.518 1
1 787 . 14 1 1 A 87 87 VAL CB C 87 30.210 34.848 -4.638 1
1 790 . 14 1 1 A 87 87 VAL N N 87 129.200 122.342 6.858 1
1 791 . 14 1 1 A 88 88 SER H H 88 9.560 8.520 1.040 1
1 792 . 14 1 1 A 88 88 SER HA H 88 5.170 5.239 -0.069 1
1 795 . 14 1 1 A 88 88 SER CA C 88 55.170 57.815 -2.645 1
1 796 . 14 1 1 A 88 88 SER CB C 88 62.790 65.039 -2.249 1
1 797 . 14 1 1 A 88 88 SER N N 88 121.730 124.238 -2.508 1
1 798 . 14 1 1 A 89 89 ILE H H 89 9.570 10.614 -1.044 1
1 799 . 14 1 1 A 89 89 ILE HA H 89 4.920 5.352 -0.432 1
1 809 . 14 1 1 A 89 89 ILE CA C 89 57.020 59.294 -2.274 1
1 810 . 14 1 1 A 89 89 ILE CB C 89 38.120 40.001 -1.881 1
1 814 . 14 1 1 A 89 89 ILE N N 89 125.650 121.664 3.986 1
1 815 . 14 1 1 A 90 90 LYS H H 90 8.760 8.535 0.225 1
1 816 . 14 1 1 A 90 90 LYS HA H 90 5.130 5.270 -0.140 1
1 825 . 14 1 1 A 90 90 LYS CA C 90 50.980 54.607 -3.627 1
1 826 . 14 1 1 A 90 90 LYS CB C 90 33.850 35.665 -1.815 1
1 830 . 14 1 1 A 90 90 LYS N N 90 122.170 124.326 -2.156 1
1 831 . 14 1 1 A 91 91 PHE H H 91 9.040 8.336 0.704 1
1 832 . 14 1 1 A 91 91 PHE HA H 91 5.330 4.617 0.713 1
1 835 . 14 1 1 A 91 91 PHE CA C 91 53.190 57.568 -4.378 1
1 836 . 14 1 1 A 91 91 PHE CB C 91 40.200 39.585 0.615 1
1 837 . 14 1 1 A 91 91 PHE N N 91 120.990 125.386 -4.396 1
1 838 . 14 1 1 A 92 92 ASN H H 92 9.210 9.616 -0.406 1
1 839 . 14 1 1 A 92 92 ASN HA H 92 4.220 4.159 0.061 1
1 842 . 14 1 1 A 92 92 ASN CA C 92 51.480 53.859 -2.379 1
1 843 . 14 1 1 A 92 92 ASN CB C 92 33.610 36.935 -3.325 1
1 844 . 14 1 1 A 92 92 ASN N N 92 127.010 125.105 1.905 1
1 845 . 14 1 1 A 93 93 ASP H H 93 8.760 8.398 0.362 1
1 846 . 14 1 1 A 93 93 ASP HA H 93 3.970 4.001 -0.031 1
1 849 . 14 1 1 A 93 93 ASP CA C 93 53.920 55.648 -1.728 1
1 850 . 14 1 1 A 93 93 ASP CB C 93 38.060 38.990 -0.930 1
1 851 . 14 1 1 A 93 93 ASP N N 93 107.220 110.545 -3.325 1
1 852 . 14 1 1 A 94 94 GLU H H 94 7.500 7.912 -0.412 1
1 853 . 14 1 1 A 94 94 GLU HA H 94 4.700 4.637 0.063 1
1 857 . 14 1 1 A 94 94 GLU CA C 94 51.940 55.443 -3.503 1
1 858 . 14 1 1 A 94 94 GLU CB C 94 29.680 30.067 -0.387 1
1 860 . 14 1 1 A 94 94 GLU N N 94 117.830 117.519 0.311 1
1 861 . 14 1 1 A 95 95 HIS H H 95 8.770 8.801 -0.031 1
1 862 . 14 1 1 A 95 95 HIS HA H 95 4.480 4.736 -0.256 1
1 865 . 14 1 1 A 95 95 HIS CA C 95 56.530 56.319 0.211 1
1 866 . 14 1 1 A 95 95 HIS CB C 95 29.690 29.600 0.090 1
1 867 . 14 1 1 A 95 95 HIS N N 95 121.910 124.177 -2.267 1
1 868 . 14 1 1 A 96 96 ILE H H 96 8.110 8.563 -0.453 1
1 869 . 14 1 1 A 96 96 ILE HA H 96 4.310 4.495 -0.185 1
1 871 . 14 1 1 A 96 96 ILE CA C 96 57.520 59.884 -2.364 1
1 872 . 14 1 1 A 96 96 ILE CB C 96 32.720 37.652 -4.932 1
1 873 . 14 1 1 A 96 96 ILE N N 96 116.370 123.691 -7.321 1
1 874 . 14 1 1 A 97 97 PRO CA C 97 63.500 65.751 -2.251 1
1 875 . 14 1 1 A 97 97 PRO CB C 97 28.690 31.987 -3.297 1
1 878 . 14 1 1 A 98 98 ASP H H 98 7.940 8.721 -0.781 1
1 879 . 14 1 1 A 98 98 ASP HA H 98 5.010 4.322 0.688 1
1 882 . 14 1 1 A 98 98 ASP CA C 98 54.510 57.487 -2.977 1
1 883 . 14 1 1 A 98 98 ASP CB C 98 37.760 40.526 -2.766 1
1 884 . 14 1 1 A 98 98 ASP N N 98 113.440 118.309 -4.869 1
1 885 . 14 1 1 A 99 99 SER H H 99 7.470 8.237 -0.767 1
1 886 . 14 1 1 A 99 99 SER HA H 99 4.230 4.731 -0.501 1
1 889 . 14 1 1 A 99 99 SER CA C 99 52.370 57.636 -5.266 1
1 890 . 14 1 1 A 99 99 SER CB C 99 60.430 63.551 -3.121 1
1 891 . 14 1 1 A 99 99 SER N N 99 110.680 114.613 -3.933 1
1 892 . 14 1 1 A 100 100 PRO HA H 100 4.550 5.066 -0.516 1
1 899 . 14 1 1 A 100 100 PRO CA C 100 59.920 62.386 -2.466 1
1 900 . 14 1 1 A 100 100 PRO CB C 100 31.880 31.850 0.030 1
1 903 . 14 1 1 A 101 101 PHE H H 101 9.270 8.232 1.038 1
1 904 . 14 1 1 A 101 101 PHE HA H 101 4.560 5.442 -0.882 1
1 907 . 14 1 1 A 101 101 PHE CA C 101 54.060 55.116 -1.056 1
1 908 . 14 1 1 A 101 101 PHE CB C 101 37.930 42.146 -4.216 1
1 909 . 14 1 1 A 101 101 PHE N N 101 119.180 118.498 0.682 1
1 910 . 14 1 1 A 102 102 VAL H H 102 8.760 8.766 -0.006 1
1 911 . 14 1 1 A 102 102 VAL HA H 102 4.580 4.828 -0.248 1
1 919 . 14 1 1 A 102 102 VAL CA C 102 60.400 60.728 -0.328 1
1 920 . 14 1 1 A 102 102 VAL CB C 102 28.970 33.460 -4.490 1
1 923 . 14 1 1 A 102 102 VAL N N 102 123.120 121.005 2.115 1
1 924 . 14 1 1 A 103 103 VAL H H 103 9.520 9.882 -0.362 1
1 925 . 14 1 1 A 103 103 VAL HA H 103 4.390 4.777 -0.387 1
1 933 . 14 1 1 A 103 103 VAL CA C 103 57.200 59.296 -2.096 1
1 934 . 14 1 1 A 103 103 VAL CB C 103 32.060 33.308 -1.248 1
1 937 . 14 1 1 A 103 103 VAL N N 103 130.330 127.822 2.508 1
1 938 . 14 1 1 A 104 104 PRO HA H 104 4.370 4.685 -0.315 1
1 941 . 14 1 1 A 104 104 PRO CA C 104 60.240 62.741 -2.501 1
1 942 . 14 1 1 A 104 104 PRO CB C 104 29.660 31.757 -2.097 1
1 945 . 14 1 1 A 105 105 VAL H H 105 9.300 8.302 0.998 1
1 946 . 14 1 1 A 105 105 VAL HA H 105 4.300 4.750 -0.450 1
1 954 . 14 1 1 A 105 105 VAL CA C 105 59.210 61.761 -2.551 1
1 955 . 14 1 1 A 105 105 VAL CB C 105 28.840 33.032 -4.192 1
1 958 . 14 1 1 A 105 105 VAL N N 105 126.320 124.370 1.950 1
1 959 . 14 1 1 A 106 106 ALA H H 106 8.360 9.463 -1.103 1
1 960 . 14 1 1 A 106 106 ALA HA H 106 4.660 5.188 -0.528 1
1 964 . 14 1 1 A 106 106 ALA CA C 106 48.340 50.437 -2.097 1
1 965 . 14 1 1 A 106 106 ALA CB C 106 18.960 22.191 -3.231 1
1 966 . 14 1 1 A 106 106 ALA N N 106 130.550 129.127 1.423 1
1 967 . 14 1 1 A 107 107 SER H H 107 8.590 8.901 -0.311 1
1 968 . 14 1 1 A 107 107 SER HA H 107 4.490 4.801 -0.311 1
1 971 . 14 1 1 A 107 107 SER CA C 107 55.570 56.739 -1.169 1
1 972 . 14 1 1 A 107 107 SER CB C 107 61.760 64.067 -2.307 1
1 973 . 14 1 1 A 107 107 SER N N 107 112.340 119.027 -6.687 1
1 974 . 14 1 1 A 108 108 LEU H H 108 8.660 8.845 -0.185 1
1 975 . 14 1 1 A 108 108 LEU HA H 108 4.300 3.963 0.337 1
1 985 . 14 1 1 A 108 108 LEU CA C 108 53.250 56.717 -3.467 1
1 986 . 14 1 1 A 108 108 LEU CB C 108 39.650 39.896 -0.246 1
1 990 . 14 1 1 A 108 108 LEU N N 108 123.200 127.603 -4.403 1
1 991 . 14 1 1 A 109 109 SER H H 109 8.210 8.084 0.126 1
1 992 . 14 1 1 A 109 109 SER HA H 109 4.370 4.482 -0.112 1
1 995 . 14 1 1 A 109 109 SER CA C 109 55.810 59.956 -4.146 1
1 996 . 14 1 1 A 109 109 SER CB C 109 61.240 64.032 -2.792 1
1 997 . 14 1 1 A 109 109 SER N N 109 114.710 113.732 0.978 1
1 998 . 14 1 1 A 110 110 ASP H H 110 8.240 8.322 -0.082 1
1 999 . 14 1 1 A 110 110 ASP HA H 110 4.500 4.302 0.198 1
1 1002 . 14 1 1 A 110 110 ASP CA C 110 52.740 55.543 -2.803 1
1 1003 . 14 1 1 A 110 110 ASP CB C 110 38.260 40.511 -2.251 1
1 1004 . 14 1 1 A 110 110 ASP N N 110 121.030 120.075 0.955 1
1 1005 . 14 1 1 A 111 111 ASP H H 111 8.210 8.432 -0.222 1
1 1006 . 14 1 1 A 111 111 ASP HA H 111 4.500 4.780 -0.280 1
1 1009 . 14 1 1 A 111 111 ASP CA C 111 52.770 54.284 -1.514 1
1 1010 . 14 1 1 A 111 111 ASP CB C 111 38.290 43.271 -4.981 1
1 1011 . 14 1 1 A 111 111 ASP N N 111 118.910 118.296 0.614 1
1 1012 . 14 1 1 A 112 112 ALA H H 112 8.050 8.653 -0.603 1
1 1013 . 14 1 1 A 112 112 ALA HA H 112 4.170 4.197 -0.027 1
1 1017 . 14 1 1 A 112 112 ALA CA C 112 50.710 52.840 -2.130 1
1 1018 . 14 1 1 A 112 112 ALA CB C 112 16.110 17.438 -1.328 1
1 1019 . 14 1 1 A 112 112 ALA N N 112 121.600 120.843 0.757 1
1 1020 . 14 1 1 A 113 113 ARG H H 113 7.960 7.903 0.057 1
1 1021 . 14 1 1 A 113 113 ARG HA H 113 4.030 4.395 -0.365 1
1 1027 . 14 1 1 A 113 113 ARG CA C 113 55.200 55.911 -0.711 1
1 1028 . 14 1 1 A 113 113 ARG CB C 113 27.730 31.632 -3.902 1
1 1031 . 14 1 1 A 113 113 ARG N N 113 116.640 117.360 -0.720 1
1 1032 . 14 1 1 A 114 114 ARG H H 114 7.930 8.591 -0.661 1
1 1033 . 14 1 1 A 114 114 ARG HA H 114 4.000 4.533 -0.533 1
1 1040 . 14 1 1 A 114 114 ARG CA C 114 53.940 55.829 -1.889 1
1 1041 . 14 1 1 A 114 114 ARG CB C 114 30.550 32.011 -1.461 1
1 1044 . 14 1 1 A 114 114 ARG N N 114 116.380 121.734 -5.354 1
1 1045 . 14 1 1 A 115 115 LEU H H 115 8.000 7.885 0.115 1
1 1046 . 14 1 1 A 115 115 LEU HA H 115 4.320 4.414 -0.094 1
1 1056 . 14 1 1 A 115 115 LEU CA C 115 52.870 55.594 -2.724 1
1 1057 . 14 1 1 A 115 115 LEU CB C 115 39.640 44.186 -4.546 1
1 1061 . 14 1 1 A 115 115 LEU N N 115 120.260 119.100 1.160 1
1 1062 . 14 1 1 A 116 116 THR H H 116 7.970 7.878 0.092 1
1 1063 . 14 1 1 A 116 116 THR HA H 116 4.390 4.424 -0.034 1
1 1068 . 14 1 1 A 116 116 THR CA C 116 59.270 64.343 -5.073 1
1 1069 . 14 1 1 A 116 116 THR CB C 116 67.420 69.436 -2.016 1
1 1071 . 14 1 1 A 116 116 THR N N 116 113.250 112.386 0.864 1
1 1072 . 14 1 1 A 117 117 VAL H H 117 8.070 8.063 0.007 1
1 1073 . 14 1 1 A 117 117 VAL HA H 117 4.330 3.954 0.376 1
1 1078 . 14 1 1 A 117 117 VAL CA C 117 60.230 65.140 -4.910 1
1 1079 . 14 1 1 A 117 117 VAL CB C 117 30.360 31.775 -1.415 1
1 1081 . 14 1 1 A 117 117 VAL N N 117 120.990 119.537 1.453 1
1 1082 . 14 1 1 A 118 118 THR H H 118 8.210 8.056 0.154 1
1 1083 . 14 1 1 A 118 118 THR HA H 118 4.380 3.940 0.440 1
1 1088 . 14 1 1 A 118 118 THR CA C 118 58.770 63.115 -4.345 1
1 1089 . 14 1 1 A 118 118 THR CB C 118 67.420 67.634 -0.214 1
1 1091 . 14 1 1 A 118 118 THR N N 118 116.420 116.363 0.057 1
1 1098 . 14 2 2 B 6 6 GLU H H 6 8.780 8.075 0.705 1
1 1099 . 14 2 2 B 6 6 GLU HA H 6 4.160 4.306 -0.146 1
1 1104 . 14 2 2 B 8 8 ARG H H 8 8.200 8.573 -0.373 1
1 1105 . 14 2 2 B 8 8 ARG HA H 8 4.210 4.752 -0.542 1
1 1111 . 14 2 2 B 9 9 VAL H H 9 9.000 8.348 0.652 1
1 1112 . 14 2 2 B 9 9 VAL HA H 9 4.070 4.086 -0.016 1
1 1123 . 14 2 2 B 11 11 SER H H 11 8.490 8.853 -0.363 1
1 1126 . 14 2 2 B 12 12 SER HA H 12 4.410 5.642 -1.232 1
1 1129 . 14 2 2 B 13 13 VAL H H 13 8.800 8.547 0.253 1
1 1130 . 14 2 2 B 13 13 VAL HA H 13 4.010 4.869 -0.859 1
1 1138 . 14 2 2 B 14 14 PHE HA H 14 4.620 5.101 -0.481 1
1 1143 . 14 2 2 B 15 15 ILE H H 15 8.710 8.799 -0.089 1
1 1144 . 14 2 2 B 15 15 ILE HA H 15 4.140 4.628 -0.488 1
1 1154 . 14 2 2 B 16 16 THR HA H 16 4.220 5.281 -1.061 1
1 1159 . 14 2 2 B 17 17 LEU H H 17 8.270 8.736 -0.466 1
1 1160 . 14 2 2 B 17 17 LEU HA H 17 4.130 5.048 -0.918 1
1 1170 . 14 2 2 B 18 18 ALA HA H 18 4.500 4.774 -0.274 1
1 4 . 15 1 1 A 2 2 ILE H H 2 8.800 8.616 0.184 1
1 5 . 15 1 1 A 2 2 ILE N N 2 126.630 120.861 5.769 1
1 6 . 15 1 1 A 3 3 PRO HA H 3 4.360 4.424 -0.064 1
1 13 . 15 1 1 A 3 3 PRO CA C 3 60.670 66.240 -5.570 1
1 14 . 15 1 1 A 3 3 PRO CB C 3 29.390 31.387 -1.997 1
1 17 . 15 1 1 A 4 4 GLU H H 4 8.270 8.256 0.014 1
1 18 . 15 1 1 A 4 4 GLU HA H 4 4.360 4.406 -0.046 1
1 23 . 15 1 1 A 4 4 GLU CA C 4 53.690 58.465 -4.775 1
1 24 . 15 1 1 A 4 4 GLU CB C 4 29.430 29.421 0.009 1
1 26 . 15 1 1 A 4 4 GLU N N 4 119.290 118.060 1.230 1
1 27 . 15 1 1 A 5 5 PHE H H 5 8.810 10.398 -1.588 1
1 28 . 15 1 1 A 5 5 PHE N N 5 126.600 118.948 7.652 1
1 29 . 15 1 1 A 6 6 PHE H H 6 8.070 8.329 -0.259 1
1 30 . 15 1 1 A 6 6 PHE HA H 6 4.650 4.707 -0.057 1
1 33 . 15 1 1 A 6 6 PHE CA C 6 54.920 56.986 -2.066 1
1 34 . 15 1 1 A 6 6 PHE CB C 6 37.190 40.112 -2.922 1
1 35 . 15 1 1 A 6 6 PHE N N 6 120.380 116.161 4.219 1
1 36 . 15 1 1 A 7 7 GLN H H 7 7.980 8.295 -0.315 1
1 37 . 15 1 1 A 7 7 GLN HA H 7 4.430 3.628 0.802 1
1 42 . 15 1 1 A 7 7 GLN CA C 7 54.860 56.841 -1.981 1
1 43 . 15 1 1 A 7 7 GLN CB C 7 26.570 28.342 -1.772 1
1 45 . 15 1 1 A 7 7 GLN N N 7 119.930 119.028 0.902 1
1 46 . 15 1 1 A 8 8 PHE H H 8 8.030 8.026 0.004 1
1 47 . 15 1 1 A 8 8 PHE HA H 8 4.630 4.809 -0.179 1
1 50 . 15 1 1 A 8 8 PHE CA C 8 55.020 59.054 -4.034 1
1 51 . 15 1 1 A 8 8 PHE CB C 8 36.840 41.738 -4.898 1
1 52 . 15 1 1 A 8 8 PHE N N 8 119.560 119.539 0.021 1
1 53 . 15 1 1 A 9 9 THR H H 9 8.040 8.141 -0.101 1
1 54 . 15 1 1 A 9 9 THR HA H 9 4.300 4.294 0.006 1
1 59 . 15 1 1 A 9 9 THR CA C 9 59.410 62.660 -3.250 1
1 60 . 15 1 1 A 9 9 THR CB C 9 67.440 68.700 -1.260 1
1 62 . 15 1 1 A 9 9 THR N N 9 114.650 112.930 1.720 1
1 63 . 15 1 1 A 10 10 VAL H H 10 8.070 7.985 0.085 1
1 64 . 15 1 1 A 10 10 VAL HA H 10 4.210 3.936 0.274 1
1 72 . 15 1 1 A 10 10 VAL CA C 10 59.470 64.919 -5.449 1
1 73 . 15 1 1 A 10 10 VAL CB C 10 30.180 32.141 -1.961 1
1 75 . 15 1 1 A 10 10 VAL N N 10 120.380 121.869 -1.489 1
1 76 . 15 1 1 A 11 11 GLY H H 11 8.200 7.532 0.668 1
1 77 . 15 1 1 A 11 11 GLY HA2 H 11 4.090 4.044 0.046 1
1 78 . 15 1 1 A 11 11 GLY HA3 H 11 4.000 4.076 -0.076 1
1 79 . 15 1 1 A 11 11 GLY CA C 11 41.420 45.767 -4.347 1
1 80 . 15 1 1 A 11 11 GLY N N 11 110.910 109.152 1.758 1
1 81 . 15 1 1 A 12 12 PRO HA H 12 4.360 4.588 -0.228 1
1 88 . 15 1 1 A 12 12 PRO CA C 12 60.590 63.325 -2.735 1
1 89 . 15 1 1 A 12 12 PRO CB C 12 33.600 31.298 2.302 1
1 92 . 15 1 1 A 13 13 LEU H H 13 8.360 8.701 -0.341 1
1 93 . 15 1 1 A 13 13 LEU HA H 13 4.340 3.831 0.509 1
1 103 . 15 1 1 A 13 13 LEU CA C 13 52.800 55.270 -2.470 1
1 104 . 15 1 1 A 13 13 LEU CB C 13 39.650 39.435 0.215 1
1 108 . 15 1 1 A 13 13 LEU N N 13 120.390 118.653 1.737 1
1 109 . 15 1 1 A 14 14 GLY H H 14 8.240 8.331 -0.091 1
1 110 . 15 1 1 A 14 14 GLY HA2 H 14 3.960 3.873 0.087 1
1 111 . 15 1 1 A 14 14 GLY HA3 H 14 3.660 3.885 -0.225 1
1 112 . 15 1 1 A 14 14 GLY CA C 14 40.240 45.223 -4.983 1
1 113 . 15 1 1 A 14 14 GLY N N 14 107.860 107.746 0.114 1
1 114 . 15 1 1 A 15 15 GLU H H 15 8.250 9.253 -1.003 1
1 115 . 15 1 1 A 15 15 GLU HA H 15 4.360 3.985 0.375 1
1 120 . 15 1 1 A 15 15 GLU CA C 15 53.920 57.497 -3.577 1
1 121 . 15 1 1 A 15 15 GLU CB C 15 27.800 28.903 -1.103 1
1 123 . 15 1 1 A 15 15 GLU N N 15 118.800 119.588 -0.788 1
1 124 . 15 1 1 A 16 16 GLY H H 16 8.460 8.390 0.070 1
1 125 . 15 1 1 A 16 16 GLY HA2 H 16 3.960 4.011 -0.051 1
1 126 . 15 1 1 A 16 16 GLY HA3 H 16 3.880 4.020 -0.140 1
1 127 . 15 1 1 A 16 16 GLY CA C 16 42.490 45.128 -2.638 1
1 128 . 15 1 1 A 16 16 GLY N N 16 108.190 107.080 1.110 1
1 129 . 15 1 1 A 17 17 GLY H H 17 8.300 8.857 -0.557 1
1 130 . 15 1 1 A 17 17 GLY HA2 H 17 4.430 3.962 0.468 1
1 131 . 15 1 1 A 17 17 GLY HA3 H 17 3.780 4.007 -0.227 1
1 132 . 15 1 1 A 17 17 GLY CA C 17 42.550 47.077 -4.527 1
1 133 . 15 1 1 A 17 17 GLY N N 17 105.790 110.997 -5.207 1
1 134 . 15 1 1 A 18 18 ALA H H 18 8.800 8.024 0.776 1
1 135 . 15 1 1 A 18 18 ALA HA H 18 3.760 4.139 -0.379 1
1 139 . 15 1 1 A 18 18 ALA CA C 18 52.780 54.371 -1.591 1
1 140 . 15 1 1 A 18 18 ALA CB C 18 16.810 18.419 -1.609 1
1 141 . 15 1 1 A 18 18 ALA N N 18 120.770 124.647 -3.877 1
1 142 . 15 1 1 A 19 19 HIS H H 19 8.230 7.984 0.246 1
1 143 . 15 1 1 A 19 19 HIS HA H 19 4.410 4.219 0.191 1
1 146 . 15 1 1 A 19 19 HIS CA C 19 54.740 59.155 -4.415 1
1 147 . 15 1 1 A 19 19 HIS CB C 19 26.240 30.206 -3.966 1
1 148 . 15 1 1 A 19 19 HIS N N 19 109.490 118.583 -9.093 1
1 149 . 15 1 1 A 20 20 LYS H H 20 7.570 8.362 -0.792 1
1 150 . 15 1 1 A 20 20 LYS HA H 20 4.170 4.302 -0.132 1
1 159 . 15 1 1 A 20 20 LYS CA C 20 52.100 58.912 -6.812 1
1 160 . 15 1 1 A 20 20 LYS CB C 20 29.850 32.212 -2.362 1
1 164 . 15 1 1 A 20 20 LYS N N 20 115.920 117.381 -1.461 1
1 165 . 15 1 1 A 21 21 VAL H H 21 7.460 7.849 -0.389 1
1 166 . 15 1 1 A 21 21 VAL HA H 21 4.270 3.951 0.319 1
1 174 . 15 1 1 A 21 21 VAL CA C 21 60.730 62.705 -1.975 1
1 175 . 15 1 1 A 21 21 VAL CB C 21 29.340 31.933 -2.593 1
1 178 . 15 1 1 A 21 21 VAL N N 21 122.030 122.318 -0.288 1
1 179 . 15 1 1 A 22 22 ARG H H 22 7.840 8.688 -0.848 1
1 180 . 15 1 1 A 22 22 ARG HA H 22 5.100 5.049 0.051 1
1 187 . 15 1 1 A 22 22 ARG CA C 22 51.230 55.031 -3.801 1
1 188 . 15 1 1 A 22 22 ARG CB C 22 31.930 31.901 0.029 1
1 191 . 15 1 1 A 22 22 ARG N N 22 121.520 128.835 -7.315 1
1 192 . 15 1 1 A 23 23 ALA H H 23 8.920 8.724 0.196 1
1 193 . 15 1 1 A 23 23 ALA HA H 23 5.580 5.349 0.231 1
1 197 . 15 1 1 A 23 23 ALA CA C 23 47.810 51.240 -3.430 1
1 198 . 15 1 1 A 23 23 ALA CB C 23 21.660 21.750 -0.090 1
1 199 . 15 1 1 A 23 23 ALA N N 23 123.300 127.973 -4.673 1
1 200 . 15 1 1 A 24 24 GLY H H 24 8.450 8.357 0.093 1
1 201 . 15 1 1 A 24 24 GLY HA2 H 24 4.200 4.303 -0.103 1
1 202 . 15 1 1 A 24 24 GLY HA3 H 24 4.160 4.326 -0.166 1
1 203 . 15 1 1 A 24 24 GLY CA C 24 43.560 45.078 -1.518 1
1 204 . 15 1 1 A 24 24 GLY N N 24 104.220 109.472 -5.252 1
1 205 . 15 1 1 A 25 25 GLY H H 25 8.770 8.383 0.387 1
1 206 . 15 1 1 A 25 25 GLY HA2 H 25 4.880 4.326 0.554 1
1 207 . 15 1 1 A 25 25 GLY HA3 H 25 4.050 4.426 -0.376 1
1 208 . 15 1 1 A 25 25 GLY CA C 25 42.110 45.848 -3.738 1
1 209 . 15 1 1 A 25 25 GLY N N 25 109.590 110.269 -0.679 1
1 210 . 15 1 1 A 26 26 THR H H 26 8.620 8.785 -0.165 1
1 211 . 15 1 1 A 26 26 THR HA H 26 4.030 4.268 -0.238 1
1 216 . 15 1 1 A 26 26 THR CA C 26 63.280 65.160 -1.880 1
1 217 . 15 1 1 A 26 26 THR CB C 26 65.990 68.912 -2.922 1
1 219 . 15 1 1 A 26 26 THR N N 26 113.050 113.514 -0.464 1
1 220 . 15 1 1 A 27 27 GLY H H 27 9.040 8.039 1.001 1
1 221 . 15 1 1 A 27 27 GLY HA2 H 27 4.270 4.170 0.100 1
1 222 . 15 1 1 A 27 27 GLY HA3 H 27 3.390 4.389 -0.999 1
1 223 . 15 1 1 A 27 27 GLY CA C 27 44.250 46.582 -2.332 1
1 224 . 15 1 1 A 27 27 GLY N N 27 105.190 111.210 -6.020 1
1 225 . 15 1 1 A 28 28 LEU H H 28 7.450 7.869 -0.419 1
1 226 . 15 1 1 A 28 28 LEU HA H 28 4.210 4.199 0.011 1
1 236 . 15 1 1 A 28 28 LEU CA C 28 51.150 54.837 -3.687 1
1 237 . 15 1 1 A 28 28 LEU CB C 28 37.670 41.225 -3.555 1
1 241 . 15 1 1 A 28 28 LEU N N 28 114.980 120.605 -5.625 1
1 242 . 15 1 1 A 29 29 GLU H H 29 7.980 7.754 0.226 1
1 243 . 15 1 1 A 29 29 GLU HA H 29 4.540 4.503 0.037 1
1 248 . 15 1 1 A 29 29 GLU CA C 29 54.910 57.127 -2.217 1
1 249 . 15 1 1 A 29 29 GLU CB C 29 29.430 32.639 -3.209 1
1 251 . 15 1 1 A 29 29 GLU N N 29 117.810 116.989 0.821 1
1 252 . 15 1 1 A 30 30 ARG H H 30 8.340 7.572 0.768 1
1 253 . 15 1 1 A 30 30 ARG HA H 30 4.720 4.710 0.010 1
1 260 . 15 1 1 A 30 30 ARG CA C 30 53.350 54.957 -1.607 1
1 261 . 15 1 1 A 30 30 ARG CB C 30 29.440 32.302 -2.862 1
1 264 . 15 1 1 A 30 30 ARG N N 30 112.890 115.368 -2.478 1
1 265 . 15 1 1 A 31 31 GLY H H 31 8.100 8.149 -0.049 1
1 266 . 15 1 1 A 31 31 GLY HA2 H 31 4.540 4.345 0.195 1
1 267 . 15 1 1 A 31 31 GLY HA3 H 31 3.610 4.348 -0.738 1
1 268 . 15 1 1 A 31 31 GLY CA C 31 41.630 45.572 -3.942 1
1 269 . 15 1 1 A 31 31 GLY N N 31 103.670 106.413 -2.743 1
1 270 . 15 1 1 A 32 32 VAL H H 32 9.410 8.373 1.037 1
1 271 . 15 1 1 A 32 32 VAL HA H 32 4.450 5.146 -0.696 1
1 279 . 15 1 1 A 32 32 VAL CA C 32 58.730 59.977 -1.247 1
1 280 . 15 1 1 A 32 32 VAL CB C 32 32.560 35.739 -3.179 1
1 283 . 15 1 1 A 32 32 VAL N N 32 122.160 120.068 2.092 1
1 284 . 15 1 1 A 33 33 ALA H H 33 8.560 8.512 0.048 1
1 285 . 15 1 1 A 33 33 ALA HA H 33 3.620 3.991 -0.371 1
1 289 . 15 1 1 A 33 33 ALA CA C 33 50.860 53.956 -3.096 1
1 290 . 15 1 1 A 33 33 ALA CB C 33 14.450 18.430 -3.980 1
1 291 . 15 1 1 A 33 33 ALA N N 33 129.490 129.328 0.162 1
1 292 . 15 1 1 A 34 34 GLY H H 34 8.590 8.764 -0.174 1
1 293 . 15 1 1 A 34 34 GLY HA2 H 34 4.320 3.868 0.452 1
1 294 . 15 1 1 A 34 34 GLY HA3 H 34 3.420 3.880 -0.460 1
1 295 . 15 1 1 A 34 34 GLY CA C 34 42.710 46.892 -4.182 1
1 296 . 15 1 1 A 34 34 GLY N N 34 106.900 111.558 -4.658 1
1 297 . 15 1 1 A 35 35 VAL H H 35 7.840 7.340 0.500 1
1 298 . 15 1 1 A 35 35 VAL HA H 35 4.450 4.372 0.078 1
1 306 . 15 1 1 A 35 35 VAL CA C 35 56.660 58.953 -2.293 1
1 307 . 15 1 1 A 35 35 VAL CB C 35 32.030 35.168 -3.138 1
1 310 . 15 1 1 A 35 35 VAL N N 35 121.520 119.719 1.801 1
1 311 . 15 1 1 A 36 36 PRO HA H 36 4.260 4.372 -0.112 1
1 318 . 15 1 1 A 36 36 PRO CA C 36 60.720 62.735 -2.015 1
1 319 . 15 1 1 A 36 36 PRO CB C 36 28.760 31.775 -3.015 1
1 322 . 15 1 1 A 37 37 ALA H H 37 8.920 7.940 0.980 1
1 323 . 15 1 1 A 37 37 ALA HA H 37 4.490 5.022 -0.532 1
1 327 . 15 1 1 A 37 37 ALA CA C 37 47.550 50.297 -2.747 1
1 328 . 15 1 1 A 37 37 ALA CB C 37 17.110 22.590 -5.480 1
1 329 . 15 1 1 A 37 37 ALA N N 37 129.160 126.122 3.038 1
1 330 . 15 1 1 A 38 38 GLU H H 38 8.470 9.066 -0.596 1
1 331 . 15 1 1 A 38 38 GLU HA H 38 4.330 5.385 -1.055 1
1 336 . 15 1 1 A 38 38 GLU CA C 38 52.150 55.218 -3.068 1
1 337 . 15 1 1 A 38 38 GLU CB C 38 31.010 33.710 -2.700 1
1 339 . 15 1 1 A 38 38 GLU N N 38 117.150 116.475 0.675 1
1 340 . 15 1 1 A 39 39 PHE H H 39 8.870 8.008 0.862 1
1 341 . 15 1 1 A 39 39 PHE HA H 39 4.520 5.456 -0.936 1
1 344 . 15 1 1 A 39 39 PHE CA C 39 54.670 55.413 -0.743 1
1 345 . 15 1 1 A 39 39 PHE CB C 39 37.170 41.787 -4.617 1
1 346 . 15 1 1 A 39 39 PHE N N 39 115.740 117.913 -2.173 1
1 347 . 15 1 1 A 40 40 SER H H 40 8.870 8.589 0.281 1
1 348 . 15 1 1 A 40 40 SER HA H 40 5.420 5.703 -0.283 1
1 351 . 15 1 1 A 40 40 SER CA C 40 54.890 56.924 -2.034 1
1 352 . 15 1 1 A 40 40 SER CB C 40 63.790 66.218 -2.428 1
1 353 . 15 1 1 A 40 40 SER N N 40 113.140 115.471 -2.331 1
1 354 . 15 1 1 A 41 41 ILE H H 41 8.410 9.435 -1.025 1
1 355 . 15 1 1 A 41 41 ILE HA H 41 4.670 4.990 -0.320 1
1 365 . 15 1 1 A 41 41 ILE CA C 41 57.640 60.790 -3.150 1
1 366 . 15 1 1 A 41 41 ILE CB C 41 38.260 40.285 -2.025 1
1 370 . 15 1 1 A 41 41 ILE N N 41 118.020 123.188 -5.168 1
1 371 . 15 1 1 A 42 42 TRP H H 42 9.580 8.733 0.847 1
1 372 . 15 1 1 A 42 42 TRP HA H 42 4.870 5.135 -0.265 1
1 375 . 15 1 1 A 42 42 TRP CA C 42 56.240 56.928 -0.688 1
1 376 . 15 1 1 A 42 42 TRP CB C 42 27.690 31.470 -3.780 1
1 377 . 15 1 1 A 42 42 TRP N N 42 126.430 130.906 -4.476 1
1 378 . 15 1 1 A 43 43 THR H H 43 8.370 8.181 0.189 1
1 379 . 15 1 1 A 43 43 THR HA H 43 3.800 4.651 -0.851 1
1 384 . 15 1 1 A 43 43 THR CA C 43 59.210 60.796 -1.586 1
1 385 . 15 1 1 A 43 43 THR CB C 43 67.070 71.029 -3.959 1
1 387 . 15 1 1 A 43 43 THR N N 43 112.460 120.224 -7.764 1
1 388 . 15 1 1 A 44 44 ARG HA H 44 3.910 4.428 -0.518 1
1 395 . 15 1 1 A 44 44 ARG CA C 44 57.190 55.289 1.901 1
1 396 . 15 1 1 A 44 44 ARG CB C 44 27.710 29.975 -2.265 1
1 399 . 15 1 1 A 45 45 GLU H H 45 8.260 8.232 0.028 1
1 400 . 15 1 1 A 45 45 GLU HA H 45 4.160 4.596 -0.436 1
1 405 . 15 1 1 A 45 45 GLU CA C 45 54.510 58.063 -3.553 1
1 406 . 15 1 1 A 45 45 GLU CB C 45 27.510 31.793 -4.283 1
1 408 . 15 1 1 A 45 45 GLU N N 45 113.080 123.945 -10.865 1
1 409 . 15 1 1 A 46 46 ALA H H 46 7.550 8.241 -0.691 1
1 410 . 15 1 1 A 46 46 ALA HA H 46 3.870 4.126 -0.256 1
1 414 . 15 1 1 A 46 46 ALA CA C 46 50.350 54.553 -4.203 1
1 415 . 15 1 1 A 46 46 ALA CB C 46 18.120 19.630 -1.510 1
1 416 . 15 1 1 A 46 46 ALA N N 46 119.560 122.064 -2.504 1
1 417 . 15 1 1 A 47 47 GLY H H 47 7.450 7.374 0.076 1
1 418 . 15 1 1 A 47 47 GLY HA2 H 47 4.180 4.068 0.112 1
1 419 . 15 1 1 A 47 47 GLY HA3 H 47 3.630 4.097 -0.467 1
1 420 . 15 1 1 A 47 47 GLY CA C 47 41.940 44.256 -2.316 1
1 421 . 15 1 1 A 47 47 GLY N N 47 102.870 102.114 0.756 1
1 422 . 15 1 1 A 48 48 ALA H H 48 8.220 8.300 -0.080 1
1 423 . 15 1 1 A 48 48 ALA HA H 48 4.290 4.508 -0.218 1
1 427 . 15 1 1 A 48 48 ALA CA C 48 49.360 52.707 -3.347 1
1 428 . 15 1 1 A 48 48 ALA CB C 48 16.590 19.596 -3.006 1
1 429 . 15 1 1 A 48 48 ALA N N 48 120.390 123.285 -2.895 1
1 430 . 15 1 1 A 49 49 GLY H H 49 8.000 8.459 -0.459 1
1 431 . 15 1 1 A 49 49 GLY HA2 H 49 3.720 3.202 0.518 1
1 432 . 15 1 1 A 49 49 GLY HA3 H 49 3.720 3.958 -0.238 1
1 433 . 15 1 1 A 49 49 GLY CA C 49 43.000 45.527 -2.527 1
1 434 . 15 1 1 A 49 49 GLY N N 49 106.720 106.723 -0.003 1
1 435 . 15 1 1 A 50 50 GLY H H 50 7.580 8.312 -0.732 1
1 436 . 15 1 1 A 50 50 GLY N N 50 104.780 107.582 -2.802 1
1 437 . 15 1 1 A 51 51 LEU HA H 51 5.300 5.325 -0.025 1
1 444 . 15 1 1 A 51 51 LEU CA C 51 50.270 53.907 -3.637 1
1 445 . 15 1 1 A 51 51 LEU CB C 51 42.930 44.255 -1.325 1
1 448 . 15 1 1 A 52 52 SER H H 52 9.110 8.334 0.776 1
1 449 . 15 1 1 A 52 52 SER HA H 52 5.180 4.921 0.259 1
1 452 . 15 1 1 A 52 52 SER CA C 52 53.700 58.747 -5.047 1
1 453 . 15 1 1 A 52 52 SER CB C 52 63.000 64.009 -1.009 1
1 454 . 15 1 1 A 52 52 SER N N 52 117.210 124.280 -7.070 1
1 455 . 15 1 1 A 53 53 ILE H H 53 8.330 8.681 -0.351 1
1 456 . 15 1 1 A 53 53 ILE HA H 53 4.930 4.852 0.078 1
1 466 . 15 1 1 A 53 53 ILE CA C 53 57.220 60.693 -3.473 1
1 467 . 15 1 1 A 53 53 ILE CB C 53 37.710 40.415 -2.705 1
1 471 . 15 1 1 A 53 53 ILE N N 53 124.030 124.296 -0.266 1
1 472 . 15 1 1 A 54 54 ALA H H 54 8.920 8.596 0.324 1
1 473 . 15 1 1 A 54 54 ALA HA H 54 5.390 4.829 0.561 1
1 477 . 15 1 1 A 54 54 ALA CA C 54 47.440 50.621 -3.181 1
1 478 . 15 1 1 A 54 54 ALA CB C 54 19.810 20.224 -0.414 1
1 479 . 15 1 1 A 54 54 ALA N N 54 126.530 131.049 -4.519 1
1 480 . 15 1 1 A 55 55 VAL H H 55 9.010 8.666 0.344 1
1 481 . 15 1 1 A 55 55 VAL HA H 55 4.830 5.142 -0.312 1
1 489 . 15 1 1 A 55 55 VAL CA C 55 58.430 59.880 -1.450 1
1 490 . 15 1 1 A 55 55 VAL CB C 55 31.020 33.705 -2.685 1
1 493 . 15 1 1 A 55 55 VAL N N 55 119.590 119.050 0.540 1
1 494 . 15 1 1 A 56 56 GLU H H 56 9.270 8.844 0.426 1
1 495 . 15 1 1 A 56 56 GLU HA H 56 4.690 5.256 -0.566 1
1 500 . 15 1 1 A 56 56 GLU CA C 56 52.000 55.208 -3.208 1
1 501 . 15 1 1 A 56 56 GLU CB C 56 31.050 33.851 -2.801 1
1 503 . 15 1 1 A 56 56 GLU N N 56 127.360 123.645 3.715 1
1 504 . 15 1 1 A 57 57 GLY H H 57 8.620 8.268 0.352 1
1 505 . 15 1 1 A 57 57 GLY N N 57 108.540 111.506 -2.966 1
1 506 . 15 1 1 A 58 58 PRO HA H 58 4.480 4.347 0.133 1
1 513 . 15 1 1 A 58 58 PRO CA C 58 61.850 64.437 -2.587 1
1 514 . 15 1 1 A 58 58 PRO CB C 58 29.820 32.173 -2.353 1
1 517 . 15 1 1 A 59 59 SER H H 59 7.200 7.467 -0.267 1
1 518 . 15 1 1 A 59 59 SER HA H 59 4.620 4.788 -0.168 1
1 521 . 15 1 1 A 59 59 SER CA C 59 55.050 56.623 -1.573 1
1 522 . 15 1 1 A 59 59 SER CB C 59 63.650 65.929 -2.279 1
1 523 . 15 1 1 A 59 59 SER N N 59 106.970 111.474 -4.504 1
1 524 . 15 1 1 A 60 60 LYS H H 60 8.570 8.485 0.085 1
1 525 . 15 1 1 A 60 60 LYS HA H 60 4.000 4.884 -0.884 1
1 534 . 15 1 1 A 60 60 LYS CA C 60 54.090 55.700 -1.610 1
1 535 . 15 1 1 A 60 60 LYS CB C 60 30.480 32.977 -2.497 1
1 539 . 15 1 1 A 60 60 LYS N N 60 118.890 122.715 -3.825 1
1 540 . 15 1 1 A 61 61 ALA H H 61 8.830 8.635 0.195 1
1 541 . 15 1 1 A 61 61 ALA HA H 61 4.930 4.610 0.320 1
1 545 . 15 1 1 A 61 61 ALA CA C 61 47.980 52.582 -4.602 1
1 546 . 15 1 1 A 61 61 ALA CB C 61 17.500 19.354 -1.854 1
1 547 . 15 1 1 A 61 61 ALA N N 61 127.130 128.826 -1.696 1
1 548 . 15 1 1 A 62 62 GLU H H 62 8.440 8.201 0.239 1
1 549 . 15 1 1 A 62 62 GLU HA H 62 4.610 4.587 0.023 1
1 554 . 15 1 1 A 62 62 GLU CA C 62 52.800 55.334 -2.534 1
1 555 . 15 1 1 A 62 62 GLU CB C 62 27.620 29.856 -2.236 1
1 557 . 15 1 1 A 62 62 GLU N N 62 121.980 122.512 -0.532 1
1 558 . 15 1 1 A 63 63 ILE H H 63 8.710 8.402 0.308 1
1 559 . 15 1 1 A 63 63 ILE HA H 63 4.710 4.599 0.111 1
1 569 . 15 1 1 A 63 63 ILE CA C 63 58.480 62.252 -3.772 1
1 570 . 15 1 1 A 63 63 ILE CB C 63 37.820 38.543 -0.723 1
1 574 . 15 1 1 A 63 63 ILE N N 63 125.400 126.799 -1.399 1
1 575 . 15 1 1 A 64 64 ALA H H 64 9.350 8.611 0.739 1
1 576 . 15 1 1 A 64 64 ALA HA H 64 5.400 5.081 0.319 1
1 580 . 15 1 1 A 64 64 ALA CA C 64 47.440 51.190 -3.750 1
1 581 . 15 1 1 A 64 64 ALA CB C 64 19.750 24.277 -4.527 1
1 582 . 15 1 1 A 64 64 ALA N N 64 130.180 124.635 5.545 1
1 583 . 15 1 1 A 65 65 PHE H H 65 8.120 8.649 -0.529 1
1 584 . 15 1 1 A 65 65 PHE HA H 65 5.410 5.604 -0.194 1
1 587 . 15 1 1 A 65 65 PHE CA C 65 53.210 55.727 -2.517 1
1 588 . 15 1 1 A 65 65 PHE CB C 65 40.490 42.063 -1.573 1
1 589 . 15 1 1 A 65 65 PHE N N 65 115.800 115.258 0.542 1
1 590 . 15 1 1 A 66 66 GLU H H 66 8.360 8.786 -0.426 1
1 591 . 15 1 1 A 66 66 GLU HA H 66 4.700 4.721 -0.021 1
1 596 . 15 1 1 A 66 66 GLU CA C 66 52.100 54.978 -2.878 1
1 597 . 15 1 1 A 66 66 GLU CB C 66 30.280 33.372 -3.092 1
1 599 . 15 1 1 A 66 66 GLU N N 66 120.390 122.983 -2.593 1
1 600 . 15 1 1 A 67 67 ASP H H 67 8.880 8.959 -0.079 1
1 601 . 15 1 1 A 67 67 ASP HA H 67 5.120 4.818 0.302 1
1 604 . 15 1 1 A 67 67 ASP CA C 67 51.070 54.013 -2.943 1
1 605 . 15 1 1 A 67 67 ASP CB C 67 38.310 41.209 -2.899 1
1 606 . 15 1 1 A 67 67 ASP N N 67 124.860 126.328 -1.468 1
1 607 . 15 1 1 A 68 68 ARG H H 68 8.330 8.916 -0.586 1
1 608 . 15 1 1 A 68 68 ARG HA H 68 4.170 4.520 -0.350 1
1 613 . 15 1 1 A 68 68 ARG CA C 68 54.170 55.865 -1.695 1
1 614 . 15 1 1 A 68 68 ARG CB C 68 27.740 31.183 -3.443 1
1 615 . 15 1 1 A 68 68 ARG N N 68 125.010 122.931 2.079 1
1 616 . 15 1 1 A 69 69 LYS H H 69 7.980 7.642 0.338 1
1 617 . 15 1 1 A 69 69 LYS HA H 69 4.030 4.491 -0.461 1
1 626 . 15 1 1 A 69 69 LYS CA C 69 55.530 55.086 0.444 1
1 627 . 15 1 1 A 69 69 LYS CB C 69 26.220 33.497 -7.277 1
1 631 . 15 1 1 A 69 69 LYS N N 69 118.110 116.566 1.544 1
1 632 . 15 1 1 A 70 70 ASP H H 70 7.930 8.312 -0.382 1
1 633 . 15 1 1 A 70 70 ASP HA H 70 4.330 4.365 -0.035 1
1 636 . 15 1 1 A 70 70 ASP CA C 70 52.540 55.584 -3.044 1
1 637 . 15 1 1 A 70 70 ASP CB C 70 40.020 40.488 -0.468 1
1 638 . 15 1 1 A 70 70 ASP N N 70 116.380 117.936 -1.556 1
1 639 . 15 1 1 A 71 71 GLY H H 71 9.080 8.287 0.793 1
1 640 . 15 1 1 A 71 71 GLY HA2 H 71 4.200 4.087 0.113 1
1 641 . 15 1 1 A 71 71 GLY HA3 H 71 3.630 4.334 -0.704 1
1 642 . 15 1 1 A 71 71 GLY CA C 71 42.480 45.587 -3.107 1
1 643 . 15 1 1 A 71 71 GLY N N 71 108.240 107.300 0.940 1
1 644 . 15 1 1 A 72 72 SER H H 72 8.400 7.876 0.524 1
1 645 . 15 1 1 A 72 72 SER HA H 72 5.470 4.796 0.674 1
1 648 . 15 1 1 A 72 72 SER CA C 72 54.440 57.245 -2.805 1
1 649 . 15 1 1 A 72 72 SER CB C 72 65.130 64.434 0.696 1
1 650 . 15 1 1 A 72 72 SER N N 72 116.980 114.042 2.938 1
1 651 . 15 1 1 A 73 73 CYS H H 73 8.810 8.590 0.220 1
1 652 . 15 1 1 A 73 73 CYS HA H 73 5.210 4.650 0.560 1
1 655 . 15 1 1 A 73 73 CYS CA C 73 53.240 59.383 -6.143 1
1 656 . 15 1 1 A 73 73 CYS CB C 73 28.520 28.189 0.331 1
1 657 . 15 1 1 A 73 73 CYS N N 73 114.140 125.962 -11.822 1
1 658 . 15 1 1 A 74 74 GLY H H 74 8.880 8.795 0.085 1
1 659 . 15 1 1 A 74 74 GLY HA2 H 74 4.540 4.121 0.419 1
1 660 . 15 1 1 A 74 74 GLY HA3 H 74 3.610 4.150 -0.540 1
1 661 . 15 1 1 A 74 74 GLY CA C 74 41.630 44.752 -3.122 1
1 662 . 15 1 1 A 74 74 GLY N N 74 110.010 112.654 -2.644 1
1 663 . 15 1 1 A 75 75 VAL H H 75 8.480 8.670 -0.190 1
1 664 . 15 1 1 A 75 75 VAL HA H 75 4.550 4.805 -0.255 1
1 672 . 15 1 1 A 75 75 VAL CA C 75 57.860 61.216 -3.356 1
1 673 . 15 1 1 A 75 75 VAL CB C 75 30.530 31.928 -1.398 1
1 676 . 15 1 1 A 75 75 VAL N N 75 122.510 126.599 -4.089 1
1 677 . 15 1 1 A 76 76 SER H H 76 8.700 8.924 -0.224 1
1 678 . 15 1 1 A 76 76 SER HA H 76 5.540 5.286 0.254 1
1 681 . 15 1 1 A 76 76 SER CA C 76 53.360 57.350 -3.990 1
1 682 . 15 1 1 A 76 76 SER CB C 76 63.190 64.466 -1.276 1
1 683 . 15 1 1 A 76 76 SER N N 76 118.910 123.866 -4.956 1
1 684 . 15 1 1 A 77 77 TYR H H 77 8.960 9.405 -0.445 1
1 685 . 15 1 1 A 77 77 TYR HA H 77 4.420 6.042 -1.622 1
1 688 . 15 1 1 A 77 77 TYR CA C 77 52.780 55.510 -2.730 1
1 689 . 15 1 1 A 77 77 TYR CB C 77 39.950 42.071 -2.121 1
1 690 . 15 1 1 A 77 77 TYR N N 77 118.060 121.583 -3.523 1
1 691 . 15 1 1 A 78 78 VAL H H 78 8.160 8.959 -0.799 1
1 692 . 15 1 1 A 78 78 VAL HA H 78 4.320 4.496 -0.176 1
1 700 . 15 1 1 A 78 78 VAL CA C 78 57.510 60.436 -2.926 1
1 701 . 15 1 1 A 78 78 VAL CB C 78 32.620 33.311 -0.691 1
1 704 . 15 1 1 A 78 78 VAL N N 78 116.800 123.712 -6.912 1
1 705 . 15 1 1 A 79 79 VAL H H 79 8.730 8.272 0.458 1
1 706 . 15 1 1 A 79 79 VAL HA H 79 4.760 4.331 0.429 1
1 714 . 15 1 1 A 79 79 VAL CA C 79 55.750 60.528 -4.778 1
1 715 . 15 1 1 A 79 79 VAL CB C 79 30.530 33.909 -3.379 1
1 718 . 15 1 1 A 79 79 VAL N N 79 119.730 125.396 -5.666 1
1 719 . 15 1 1 A 80 80 GLN H H 80 8.030 9.268 -1.238 1
1 720 . 15 1 1 A 80 80 GLN HA H 80 4.240 4.457 -0.217 1
1 725 . 15 1 1 A 80 80 GLN CA C 80 53.910 57.114 -3.204 1
1 726 . 15 1 1 A 80 80 GLN CB C 80 27.130 30.601 -3.471 1
1 728 . 15 1 1 A 80 80 GLN N N 80 116.150 122.154 -6.004 1
1 729 . 15 1 1 A 81 81 GLU H H 81 7.070 7.958 -0.888 1
1 730 . 15 1 1 A 81 81 GLU HA H 81 5.010 4.833 0.177 1
1 735 . 15 1 1 A 81 81 GLU CA C 81 49.600 54.567 -4.967 1
1 736 . 15 1 1 A 81 81 GLU CB C 81 29.410 32.312 -2.902 1
1 738 . 15 1 1 A 81 81 GLU N N 81 113.990 114.395 -0.405 1
1 739 . 15 1 1 A 82 82 PRO HA H 82 5.040 4.372 0.668 1
1 746 . 15 1 1 A 82 82 PRO CA C 82 59.910 63.772 -3.862 1
1 747 . 15 1 1 A 82 82 PRO CB C 82 29.280 32.199 -2.919 1
1 750 . 15 1 1 A 83 83 GLY H H 83 8.840 7.765 1.075 1
1 751 . 15 1 1 A 83 83 GLY CA C 83 41.780 44.813 -3.033 1
1 752 . 15 1 1 A 83 83 GLY N N 83 104.910 107.768 -2.858 1
1 753 . 15 1 1 A 84 84 ASP H H 84 8.250 8.551 -0.301 1
1 754 . 15 1 1 A 84 84 ASP HA H 84 5.260 5.297 -0.037 1
1 757 . 15 1 1 A 84 84 ASP CA C 84 51.540 52.804 -1.264 1
1 758 . 15 1 1 A 84 84 ASP CB C 84 38.700 41.635 -2.935 1
1 759 . 15 1 1 A 84 84 ASP N N 84 118.800 118.508 0.292 1
1 760 . 15 1 1 A 85 85 TYR H H 85 8.810 8.726 0.084 1
1 761 . 15 1 1 A 85 85 TYR HA H 85 3.970 4.950 -0.980 1
1 764 . 15 1 1 A 85 85 TYR CA C 85 53.930 59.032 -5.102 1
1 765 . 15 1 1 A 85 85 TYR CB C 85 37.760 39.638 -1.878 1
1 766 . 15 1 1 A 85 85 TYR N N 85 121.630 125.441 -3.811 1
1 767 . 15 1 1 A 86 86 GLU H H 86 9.320 8.864 0.456 1
1 768 . 15 1 1 A 86 86 GLU HA H 86 5.260 5.204 0.056 1
1 773 . 15 1 1 A 86 86 GLU CA C 86 52.350 54.972 -2.622 1
1 774 . 15 1 1 A 86 86 GLU CB C 86 30.070 32.413 -2.343 1
1 776 . 15 1 1 A 86 86 GLU N N 86 120.420 122.939 -2.519 1
1 777 . 15 1 1 A 87 87 VAL H H 87 9.810 8.225 1.585 1
1 778 . 15 1 1 A 87 87 VAL HA H 87 4.990 4.863 0.127 1
1 786 . 15 1 1 A 87 87 VAL CA C 87 58.590 59.038 -0.448 1
1 787 . 15 1 1 A 87 87 VAL CB C 87 30.210 34.604 -4.394 1
1 790 . 15 1 1 A 87 87 VAL N N 87 129.200 122.340 6.860 1
1 791 . 15 1 1 A 88 88 SER H H 88 9.560 8.678 0.882 1
1 792 . 15 1 1 A 88 88 SER HA H 88 5.170 5.265 -0.095 1
1 795 . 15 1 1 A 88 88 SER CA C 88 55.170 56.556 -1.386 1
1 796 . 15 1 1 A 88 88 SER CB C 88 62.790 64.560 -1.770 1
1 797 . 15 1 1 A 88 88 SER N N 88 121.730 123.947 -2.217 1
1 798 . 15 1 1 A 89 89 ILE H H 89 9.570 10.061 -0.491 1
1 799 . 15 1 1 A 89 89 ILE HA H 89 4.920 5.383 -0.463 1
1 809 . 15 1 1 A 89 89 ILE CA C 89 57.020 59.286 -2.266 1
1 810 . 15 1 1 A 89 89 ILE CB C 89 38.120 40.310 -2.190 1
1 814 . 15 1 1 A 89 89 ILE N N 89 125.650 122.316 3.334 1
1 815 . 15 1 1 A 90 90 LYS H H 90 8.760 8.691 0.069 1
1 816 . 15 1 1 A 90 90 LYS HA H 90 5.130 5.299 -0.169 1
1 825 . 15 1 1 A 90 90 LYS CA C 90 50.980 54.731 -3.751 1
1 826 . 15 1 1 A 90 90 LYS CB C 90 33.850 35.523 -1.673 1
1 830 . 15 1 1 A 90 90 LYS N N 90 122.170 124.597 -2.427 1
1 831 . 15 1 1 A 91 91 PHE H H 91 9.040 8.410 0.630 1
1 832 . 15 1 1 A 91 91 PHE HA H 91 5.330 4.698 0.632 1
1 835 . 15 1 1 A 91 91 PHE CA C 91 53.190 57.708 -4.518 1
1 836 . 15 1 1 A 91 91 PHE CB C 91 40.200 39.604 0.596 1
1 837 . 15 1 1 A 91 91 PHE N N 91 120.990 125.509 -4.519 1
1 838 . 15 1 1 A 92 92 ASN H H 92 9.210 10.127 -0.917 1
1 839 . 15 1 1 A 92 92 ASN HA H 92 4.220 4.194 0.026 1
1 842 . 15 1 1 A 92 92 ASN CA C 92 51.480 53.909 -2.429 1
1 843 . 15 1 1 A 92 92 ASN CB C 92 33.610 36.983 -3.373 1
1 844 . 15 1 1 A 92 92 ASN N N 92 127.010 125.284 1.726 1
1 845 . 15 1 1 A 93 93 ASP H H 93 8.760 8.505 0.255 1
1 846 . 15 1 1 A 93 93 ASP HA H 93 3.970 4.266 -0.296 1
1 849 . 15 1 1 A 93 93 ASP CA C 93 53.920 55.985 -2.065 1
1 850 . 15 1 1 A 93 93 ASP CB C 93 38.060 39.222 -1.162 1
1 851 . 15 1 1 A 93 93 ASP N N 93 107.220 111.079 -3.859 1
1 852 . 15 1 1 A 94 94 GLU H H 94 7.500 8.008 -0.508 1
1 853 . 15 1 1 A 94 94 GLU HA H 94 4.700 4.629 0.071 1
1 857 . 15 1 1 A 94 94 GLU CA C 94 51.940 55.309 -3.369 1
1 858 . 15 1 1 A 94 94 GLU CB C 94 29.680 30.099 -0.419 1
1 860 . 15 1 1 A 94 94 GLU N N 94 117.830 117.660 0.170 1
1 861 . 15 1 1 A 95 95 HIS H H 95 8.770 8.759 0.011 1
1 862 . 15 1 1 A 95 95 HIS HA H 95 4.480 4.725 -0.245 1
1 865 . 15 1 1 A 95 95 HIS CA C 95 56.530 55.627 0.903 1
1 866 . 15 1 1 A 95 95 HIS CB C 95 29.690 29.549 0.141 1
1 867 . 15 1 1 A 95 95 HIS N N 95 121.910 122.032 -0.122 1
1 868 . 15 1 1 A 96 96 ILE H H 96 8.110 8.012 0.098 1
1 869 . 15 1 1 A 96 96 ILE HA H 96 4.310 4.104 0.206 1
1 871 . 15 1 1 A 96 96 ILE CA C 96 57.520 59.434 -1.914 1
1 872 . 15 1 1 A 96 96 ILE CB C 96 32.720 39.498 -6.778 1
1 873 . 15 1 1 A 96 96 ILE N N 96 116.370 126.188 -9.818 1
1 874 . 15 1 1 A 97 97 PRO CA C 97 63.500 63.034 0.466 1
1 875 . 15 1 1 A 97 97 PRO CB C 97 28.690 31.052 -2.362 1
1 878 . 15 1 1 A 98 98 ASP H H 98 7.940 8.391 -0.451 1
1 879 . 15 1 1 A 98 98 ASP HA H 98 5.010 4.819 0.191 1
1 882 . 15 1 1 A 98 98 ASP CA C 98 54.510 55.137 -0.627 1
1 883 . 15 1 1 A 98 98 ASP CB C 98 37.760 43.835 -6.075 1
1 884 . 15 1 1 A 98 98 ASP N N 98 113.440 120.741 -7.301 1
1 885 . 15 1 1 A 99 99 SER H H 99 7.470 8.207 -0.737 1
1 886 . 15 1 1 A 99 99 SER HA H 99 4.230 4.590 -0.360 1
1 889 . 15 1 1 A 99 99 SER CA C 99 52.370 57.737 -5.367 1
1 890 . 15 1 1 A 99 99 SER CB C 99 60.430 63.614 -3.184 1
1 891 . 15 1 1 A 99 99 SER N N 99 110.680 115.869 -5.189 1
1 892 . 15 1 1 A 100 100 PRO HA H 100 4.550 4.981 -0.431 1
1 899 . 15 1 1 A 100 100 PRO CA C 100 59.920 62.279 -2.359 1
1 900 . 15 1 1 A 100 100 PRO CB C 100 31.880 31.801 0.079 1
1 903 . 15 1 1 A 101 101 PHE H H 101 9.270 7.359 1.911 1
1 904 . 15 1 1 A 101 101 PHE HA H 101 4.560 5.084 -0.524 1
1 907 . 15 1 1 A 101 101 PHE CA C 101 54.060 55.257 -1.197 1
1 908 . 15 1 1 A 101 101 PHE CB C 101 37.930 41.642 -3.712 1
1 909 . 15 1 1 A 101 101 PHE N N 101 119.180 118.807 0.373 1
1 910 . 15 1 1 A 102 102 VAL H H 102 8.760 8.365 0.395 1
1 911 . 15 1 1 A 102 102 VAL HA H 102 4.580 4.923 -0.343 1
1 919 . 15 1 1 A 102 102 VAL CA C 102 60.400 60.268 0.132 1
1 920 . 15 1 1 A 102 102 VAL CB C 102 28.970 33.776 -4.806 1
1 923 . 15 1 1 A 102 102 VAL N N 102 123.120 121.081 2.039 1
1 924 . 15 1 1 A 103 103 VAL H H 103 9.520 9.891 -0.371 1
1 925 . 15 1 1 A 103 103 VAL HA H 103 4.390 4.778 -0.388 1
1 933 . 15 1 1 A 103 103 VAL CA C 103 57.200 59.350 -2.150 1
1 934 . 15 1 1 A 103 103 VAL CB C 103 32.060 33.414 -1.354 1
1 937 . 15 1 1 A 103 103 VAL N N 103 130.330 128.456 1.874 1
1 938 . 15 1 1 A 104 104 PRO HA H 104 4.370 4.901 -0.531 1
1 941 . 15 1 1 A 104 104 PRO CA C 104 60.240 62.772 -2.532 1
1 942 . 15 1 1 A 104 104 PRO CB C 104 29.660 31.762 -2.102 1
1 945 . 15 1 1 A 105 105 VAL H H 105 9.300 8.404 0.896 1
1 946 . 15 1 1 A 105 105 VAL HA H 105 4.300 4.769 -0.469 1
1 954 . 15 1 1 A 105 105 VAL CA C 105 59.210 61.895 -2.685 1
1 955 . 15 1 1 A 105 105 VAL CB C 105 28.840 32.466 -3.626 1
1 958 . 15 1 1 A 105 105 VAL N N 105 126.320 124.208 2.112 1
1 959 . 15 1 1 A 106 106 ALA H H 106 8.360 9.209 -0.849 1
1 960 . 15 1 1 A 106 106 ALA HA H 106 4.660 5.221 -0.561 1
1 964 . 15 1 1 A 106 106 ALA CA C 106 48.340 50.550 -2.210 1
1 965 . 15 1 1 A 106 106 ALA CB C 106 18.960 22.811 -3.851 1
1 966 . 15 1 1 A 106 106 ALA N N 106 130.550 128.638 1.912 1
1 967 . 15 1 1 A 107 107 SER H H 107 8.590 8.800 -0.210 1
1 968 . 15 1 1 A 107 107 SER HA H 107 4.490 4.637 -0.147 1
1 971 . 15 1 1 A 107 107 SER CA C 107 55.570 56.866 -1.296 1
1 972 . 15 1 1 A 107 107 SER CB C 107 61.760 62.287 -0.527 1
1 973 . 15 1 1 A 107 107 SER N N 107 112.340 119.130 -6.790 1
1 974 . 15 1 1 A 108 108 LEU H H 108 8.660 8.163 0.497 1
1 975 . 15 1 1 A 108 108 LEU HA H 108 4.300 4.086 0.214 1
1 985 . 15 1 1 A 108 108 LEU CA C 108 53.250 56.505 -3.255 1
1 986 . 15 1 1 A 108 108 LEU CB C 108 39.650 42.051 -2.401 1
1 990 . 15 1 1 A 108 108 LEU N N 108 123.200 127.395 -4.195 1
1 991 . 15 1 1 A 109 109 SER H H 109 8.210 8.272 -0.062 1
1 992 . 15 1 1 A 109 109 SER HA H 109 4.370 4.328 0.042 1
1 995 . 15 1 1 A 109 109 SER CA C 109 55.810 59.359 -3.549 1
1 996 . 15 1 1 A 109 109 SER CB C 109 61.240 64.474 -3.234 1
1 997 . 15 1 1 A 109 109 SER N N 109 114.710 114.528 0.182 1
1 998 . 15 1 1 A 110 110 ASP H H 110 8.240 8.282 -0.042 1
1 999 . 15 1 1 A 110 110 ASP HA H 110 4.500 4.318 0.182 1
1 1002 . 15 1 1 A 110 110 ASP CA C 110 52.740 55.422 -2.682 1
1 1003 . 15 1 1 A 110 110 ASP CB C 110 38.260 40.256 -1.996 1
1 1004 . 15 1 1 A 110 110 ASP N N 110 121.030 120.621 0.409 1
1 1005 . 15 1 1 A 111 111 ASP H H 111 8.210 7.698 0.512 1
1 1006 . 15 1 1 A 111 111 ASP HA H 111 4.500 4.912 -0.412 1
1 1009 . 15 1 1 A 111 111 ASP CA C 111 52.770 54.864 -2.094 1
1 1010 . 15 1 1 A 111 111 ASP CB C 111 38.290 43.962 -5.672 1
1 1011 . 15 1 1 A 111 111 ASP N N 111 118.910 119.161 -0.251 1
1 1012 . 15 1 1 A 112 112 ALA H H 112 8.050 8.514 -0.464 1
1 1013 . 15 1 1 A 112 112 ALA HA H 112 4.170 4.053 0.117 1
1 1017 . 15 1 1 A 112 112 ALA CA C 112 50.710 52.732 -2.022 1
1 1018 . 15 1 1 A 112 112 ALA CB C 112 16.110 17.775 -1.665 1
1 1019 . 15 1 1 A 112 112 ALA N N 112 121.600 120.671 0.929 1
1 1020 . 15 1 1 A 113 113 ARG H H 113 7.960 8.239 -0.279 1
1 1021 . 15 1 1 A 113 113 ARG HA H 113 4.030 4.449 -0.419 1
1 1027 . 15 1 1 A 113 113 ARG CA C 113 55.200 55.888 -0.688 1
1 1028 . 15 1 1 A 113 113 ARG CB C 113 27.730 31.863 -4.133 1
1 1031 . 15 1 1 A 113 113 ARG N N 113 116.640 122.524 -5.884 1
1 1032 . 15 1 1 A 114 114 ARG H H 114 7.930 8.525 -0.595 1
1 1033 . 15 1 1 A 114 114 ARG HA H 114 4.000 4.656 -0.656 1
1 1040 . 15 1 1 A 114 114 ARG CA C 114 53.940 55.435 -1.495 1
1 1041 . 15 1 1 A 114 114 ARG CB C 114 30.550 32.590 -2.040 1
1 1044 . 15 1 1 A 114 114 ARG N N 114 116.380 121.752 -5.372 1
1 1045 . 15 1 1 A 115 115 LEU H H 115 8.000 7.935 0.065 1
1 1046 . 15 1 1 A 115 115 LEU HA H 115 4.320 4.637 -0.317 1
1 1056 . 15 1 1 A 115 115 LEU CA C 115 52.870 54.864 -1.994 1
1 1057 . 15 1 1 A 115 115 LEU CB C 115 39.640 44.081 -4.441 1
1 1061 . 15 1 1 A 115 115 LEU N N 115 120.260 114.398 5.862 1
1 1062 . 15 1 1 A 116 116 THR H H 116 7.970 7.676 0.294 1
1 1063 . 15 1 1 A 116 116 THR HA H 116 4.390 4.532 -0.142 1
1 1068 . 15 1 1 A 116 116 THR CA C 116 59.270 62.634 -3.364 1
1 1069 . 15 1 1 A 116 116 THR CB C 116 67.420 69.685 -2.265 1
1 1071 . 15 1 1 A 116 116 THR N N 116 113.250 111.650 1.600 1
1 1072 . 15 1 1 A 117 117 VAL H H 117 8.070 8.100 -0.030 1
1 1073 . 15 1 1 A 117 117 VAL HA H 117 4.330 3.946 0.384 1
1 1078 . 15 1 1 A 117 117 VAL CA C 117 60.230 65.391 -5.161 1
1 1079 . 15 1 1 A 117 117 VAL CB C 117 30.360 31.762 -1.402 1
1 1081 . 15 1 1 A 117 117 VAL N N 117 120.990 122.445 -1.455 1
1 1082 . 15 1 1 A 118 118 THR H H 118 8.210 8.061 0.149 1
1 1083 . 15 1 1 A 118 118 THR HA H 118 4.380 3.945 0.435 1
1 1088 . 15 1 1 A 118 118 THR CA C 118 58.770 63.119 -4.349 1
1 1089 . 15 1 1 A 118 118 THR CB C 118 67.420 67.716 -0.296 1
1 1091 . 15 1 1 A 118 118 THR N N 118 116.420 116.360 0.060 1
1 1098 . 15 2 2 B 6 6 GLU H H 6 8.780 8.340 0.440 1
1 1099 . 15 2 2 B 6 6 GLU HA H 6 4.160 4.477 -0.317 1
1 1104 . 15 2 2 B 8 8 ARG H H 8 8.200 8.702 -0.502 1
1 1105 . 15 2 2 B 8 8 ARG HA H 8 4.210 4.960 -0.750 1
1 1111 . 15 2 2 B 9 9 VAL H H 9 9.000 8.592 0.408 1
1 1112 . 15 2 2 B 9 9 VAL HA H 9 4.070 4.096 -0.026 1
1 1123 . 15 2 2 B 11 11 SER H H 11 8.490 8.774 -0.284 1
1 1126 . 15 2 2 B 12 12 SER HA H 12 4.410 5.247 -0.837 1
1 1129 . 15 2 2 B 13 13 VAL H H 13 8.800 8.668 0.132 1
1 1130 . 15 2 2 B 13 13 VAL HA H 13 4.010 4.788 -0.778 1
1 1138 . 15 2 2 B 14 14 PHE HA H 14 4.620 5.114 -0.494 1
1 1143 . 15 2 2 B 15 15 ILE H H 15 8.710 8.861 -0.151 1
1 1144 . 15 2 2 B 15 15 ILE HA H 15 4.140 4.637 -0.497 1
1 1154 . 15 2 2 B 16 16 THR HA H 16 4.220 5.103 -0.883 1
1 1159 . 15 2 2 B 17 17 LEU H H 17 8.270 9.028 -0.758 1
1 1160 . 15 2 2 B 17 17 LEU HA H 17 4.130 5.147 -1.017 1
1 1170 . 15 2 2 B 18 18 ALA HA H 18 4.500 4.757 -0.257 1
1 4 . 16 1 1 A 2 2 ILE H H 2 8.800 7.622 1.178 1
1 5 . 16 1 1 A 2 2 ILE N N 2 126.630 115.130 11.500 1
1 6 . 16 1 1 A 3 3 PRO HA H 3 4.360 4.262 0.098 1
1 13 . 16 1 1 A 3 3 PRO CA C 3 60.670 66.208 -5.538 1
1 14 . 16 1 1 A 3 3 PRO CB C 3 29.390 31.244 -1.854 1
1 17 . 16 1 1 A 4 4 GLU H H 4 8.270 8.203 0.067 1
1 18 . 16 1 1 A 4 4 GLU HA H 4 4.360 4.190 0.170 1
1 23 . 16 1 1 A 4 4 GLU CA C 4 53.690 58.150 -4.460 1
1 24 . 16 1 1 A 4 4 GLU CB C 4 29.430 29.541 -0.111 1
1 26 . 16 1 1 A 4 4 GLU N N 4 119.290 118.515 0.775 1
1 27 . 16 1 1 A 5 5 PHE H H 5 8.810 8.106 0.704 1
1 28 . 16 1 1 A 5 5 PHE N N 5 126.600 115.835 10.765 1
1 29 . 16 1 1 A 6 6 PHE H H 6 8.070 8.444 -0.374 1
1 30 . 16 1 1 A 6 6 PHE HA H 6 4.650 4.483 0.167 1
1 33 . 16 1 1 A 6 6 PHE CA C 6 54.920 59.155 -4.235 1
1 34 . 16 1 1 A 6 6 PHE CB C 6 37.190 39.316 -2.126 1
1 35 . 16 1 1 A 6 6 PHE N N 6 120.380 118.885 1.495 1
1 36 . 16 1 1 A 7 7 GLN H H 7 7.980 9.244 -1.264 1
1 37 . 16 1 1 A 7 7 GLN HA H 7 4.430 4.037 0.393 1
1 42 . 16 1 1 A 7 7 GLN CA C 7 54.860 57.892 -3.032 1
1 43 . 16 1 1 A 7 7 GLN CB C 7 26.570 27.022 -0.452 1
1 45 . 16 1 1 A 7 7 GLN N N 7 119.930 117.395 2.535 1
1 46 . 16 1 1 A 8 8 PHE H H 8 8.030 8.170 -0.140 1
1 47 . 16 1 1 A 8 8 PHE HA H 8 4.630 4.909 -0.279 1
1 50 . 16 1 1 A 8 8 PHE CA C 8 55.020 59.138 -4.118 1
1 51 . 16 1 1 A 8 8 PHE CB C 8 36.840 41.907 -5.067 1
1 52 . 16 1 1 A 8 8 PHE N N 8 119.560 119.060 0.500 1
1 53 . 16 1 1 A 9 9 THR H H 9 8.040 8.154 -0.114 1
1 54 . 16 1 1 A 9 9 THR HA H 9 4.300 4.470 -0.170 1
1 59 . 16 1 1 A 9 9 THR CA C 9 59.410 62.728 -3.318 1
1 60 . 16 1 1 A 9 9 THR CB C 9 67.440 68.897 -1.457 1
1 62 . 16 1 1 A 9 9 THR N N 9 114.650 112.835 1.815 1
1 63 . 16 1 1 A 10 10 VAL H H 10 8.070 8.063 0.007 1
1 64 . 16 1 1 A 10 10 VAL HA H 10 4.210 3.868 0.342 1
1 72 . 16 1 1 A 10 10 VAL CA C 10 59.470 64.760 -5.290 1
1 73 . 16 1 1 A 10 10 VAL CB C 10 30.180 32.630 -2.450 1
1 75 . 16 1 1 A 10 10 VAL N N 10 120.380 121.921 -1.541 1
1 76 . 16 1 1 A 11 11 GLY H H 11 8.200 7.716 0.484 1
1 77 . 16 1 1 A 11 11 GLY HA2 H 11 4.090 4.045 0.045 1
1 78 . 16 1 1 A 11 11 GLY HA3 H 11 4.000 4.046 -0.046 1
1 79 . 16 1 1 A 11 11 GLY CA C 11 41.420 45.586 -4.166 1
1 80 . 16 1 1 A 11 11 GLY N N 11 110.910 109.056 1.854 1
1 81 . 16 1 1 A 12 12 PRO HA H 12 4.360 4.546 -0.186 1
1 88 . 16 1 1 A 12 12 PRO CA C 12 60.590 62.969 -2.379 1
1 89 . 16 1 1 A 12 12 PRO CB C 12 33.600 30.466 3.134 1
1 92 . 16 1 1 A 13 13 LEU H H 13 8.360 9.307 -0.947 1
1 93 . 16 1 1 A 13 13 LEU HA H 13 4.340 3.835 0.505 1
1 103 . 16 1 1 A 13 13 LEU CA C 13 52.800 55.319 -2.519 1
1 104 . 16 1 1 A 13 13 LEU CB C 13 39.650 39.606 0.044 1
1 108 . 16 1 1 A 13 13 LEU N N 13 120.390 119.775 0.615 1
1 109 . 16 1 1 A 14 14 GLY H H 14 8.240 8.433 -0.193 1
1 110 . 16 1 1 A 14 14 GLY HA2 H 14 3.960 3.871 0.089 1
1 111 . 16 1 1 A 14 14 GLY HA3 H 14 3.660 3.895 -0.235 1
1 112 . 16 1 1 A 14 14 GLY CA C 14 40.240 47.462 -7.222 1
1 113 . 16 1 1 A 14 14 GLY N N 14 107.860 111.385 -3.525 1
1 114 . 16 1 1 A 15 15 GLU H H 15 8.250 8.193 0.057 1
1 115 . 16 1 1 A 15 15 GLU HA H 15 4.360 3.976 0.384 1
1 120 . 16 1 1 A 15 15 GLU CA C 15 53.920 57.615 -3.695 1
1 121 . 16 1 1 A 15 15 GLU CB C 15 27.800 28.919 -1.119 1
1 123 . 16 1 1 A 15 15 GLU N N 15 118.800 119.703 -0.903 1
1 124 . 16 1 1 A 16 16 GLY H H 16 8.460 8.465 -0.005 1
1 125 . 16 1 1 A 16 16 GLY HA2 H 16 3.960 4.100 -0.140 1
1 126 . 16 1 1 A 16 16 GLY HA3 H 16 3.880 4.102 -0.222 1
1 127 . 16 1 1 A 16 16 GLY CA C 16 42.490 45.305 -2.815 1
1 128 . 16 1 1 A 16 16 GLY N N 16 108.190 107.060 1.130 1
1 129 . 16 1 1 A 17 17 GLY H H 17 8.300 9.056 -0.756 1
1 130 . 16 1 1 A 17 17 GLY HA2 H 17 4.430 3.971 0.459 1
1 131 . 16 1 1 A 17 17 GLY HA3 H 17 3.780 4.027 -0.247 1
1 132 . 16 1 1 A 17 17 GLY CA C 17 42.550 47.097 -4.547 1
1 133 . 16 1 1 A 17 17 GLY N N 17 105.790 112.772 -6.982 1
1 134 . 16 1 1 A 18 18 ALA H H 18 8.800 8.174 0.626 1
1 135 . 16 1 1 A 18 18 ALA HA H 18 3.760 4.134 -0.374 1
1 139 . 16 1 1 A 18 18 ALA CA C 18 52.780 54.568 -1.788 1
1 140 . 16 1 1 A 18 18 ALA CB C 18 16.810 18.562 -1.752 1
1 141 . 16 1 1 A 18 18 ALA N N 18 120.770 124.721 -3.951 1
1 142 . 16 1 1 A 19 19 HIS H H 19 8.230 7.935 0.295 1
1 143 . 16 1 1 A 19 19 HIS HA H 19 4.410 4.255 0.155 1
1 146 . 16 1 1 A 19 19 HIS CA C 19 54.740 59.323 -4.583 1
1 147 . 16 1 1 A 19 19 HIS CB C 19 26.240 30.298 -4.058 1
1 148 . 16 1 1 A 19 19 HIS N N 19 109.490 118.441 -8.951 1
1 149 . 16 1 1 A 20 20 LYS H H 20 7.570 8.439 -0.869 1
1 150 . 16 1 1 A 20 20 LYS HA H 20 4.170 4.214 -0.044 1
1 159 . 16 1 1 A 20 20 LYS CA C 20 52.100 58.612 -6.512 1
1 160 . 16 1 1 A 20 20 LYS CB C 20 29.850 31.800 -1.950 1
1 164 . 16 1 1 A 20 20 LYS N N 20 115.920 117.296 -1.376 1
1 165 . 16 1 1 A 21 21 VAL H H 21 7.460 7.725 -0.265 1
1 166 . 16 1 1 A 21 21 VAL HA H 21 4.270 3.834 0.436 1
1 174 . 16 1 1 A 21 21 VAL CA C 21 60.730 62.260 -1.530 1
1 175 . 16 1 1 A 21 21 VAL CB C 21 29.340 31.563 -2.223 1
1 178 . 16 1 1 A 21 21 VAL N N 21 122.030 122.083 -0.053 1
1 179 . 16 1 1 A 22 22 ARG H H 22 7.840 8.189 -0.349 1
1 180 . 16 1 1 A 22 22 ARG HA H 22 5.100 4.741 0.359 1
1 187 . 16 1 1 A 22 22 ARG CA C 22 51.230 53.937 -2.707 1
1 188 . 16 1 1 A 22 22 ARG CB C 22 31.930 31.862 0.068 1
1 191 . 16 1 1 A 22 22 ARG N N 22 121.520 129.282 -7.762 1
1 192 . 16 1 1 A 23 23 ALA H H 23 8.920 8.612 0.308 1
1 193 . 16 1 1 A 23 23 ALA HA H 23 5.580 5.140 0.440 1
1 197 . 16 1 1 A 23 23 ALA CA C 23 47.810 51.037 -3.227 1
1 198 . 16 1 1 A 23 23 ALA CB C 23 21.660 21.726 -0.066 1
1 199 . 16 1 1 A 23 23 ALA N N 23 123.300 127.544 -4.244 1
1 200 . 16 1 1 A 24 24 GLY H H 24 8.450 8.598 -0.148 1
1 201 . 16 1 1 A 24 24 GLY HA2 H 24 4.200 4.270 -0.070 1
1 202 . 16 1 1 A 24 24 GLY HA3 H 24 4.160 4.288 -0.128 1
1 203 . 16 1 1 A 24 24 GLY CA C 24 43.560 44.864 -1.304 1
1 204 . 16 1 1 A 24 24 GLY N N 24 104.220 109.756 -5.536 1
1 205 . 16 1 1 A 25 25 GLY H H 25 8.770 8.410 0.360 1
1 206 . 16 1 1 A 25 25 GLY HA2 H 25 4.880 4.342 0.538 1
1 207 . 16 1 1 A 25 25 GLY HA3 H 25 4.050 4.428 -0.378 1
1 208 . 16 1 1 A 25 25 GLY CA C 25 42.110 46.050 -3.940 1
1 209 . 16 1 1 A 25 25 GLY N N 25 109.590 110.484 -0.894 1
1 210 . 16 1 1 A 26 26 THR H H 26 8.620 8.806 -0.186 1
1 211 . 16 1 1 A 26 26 THR HA H 26 4.030 4.128 -0.098 1
1 216 . 16 1 1 A 26 26 THR CA C 26 63.280 65.063 -1.783 1
1 217 . 16 1 1 A 26 26 THR CB C 26 65.990 69.012 -3.022 1
1 219 . 16 1 1 A 26 26 THR N N 26 113.050 113.257 -0.207 1
1 220 . 16 1 1 A 27 27 GLY H H 27 9.040 8.133 0.907 1
1 221 . 16 1 1 A 27 27 GLY HA2 H 27 4.270 4.150 0.120 1
1 222 . 16 1 1 A 27 27 GLY HA3 H 27 3.390 4.171 -0.781 1
1 223 . 16 1 1 A 27 27 GLY CA C 27 44.250 46.488 -2.238 1
1 224 . 16 1 1 A 27 27 GLY N N 27 105.190 111.287 -6.097 1
1 225 . 16 1 1 A 28 28 LEU H H 28 7.450 7.850 -0.400 1
1 226 . 16 1 1 A 28 28 LEU HA H 28 4.210 4.502 -0.292 1
1 236 . 16 1 1 A 28 28 LEU CA C 28 51.150 54.028 -2.878 1
1 237 . 16 1 1 A 28 28 LEU CB C 28 37.670 41.525 -3.855 1
1 241 . 16 1 1 A 28 28 LEU N N 28 114.980 119.655 -4.675 1
1 242 . 16 1 1 A 29 29 GLU H H 29 7.980 7.535 0.445 1
1 243 . 16 1 1 A 29 29 GLU HA H 29 4.540 4.550 -0.010 1
1 248 . 16 1 1 A 29 29 GLU CA C 29 54.910 57.091 -2.181 1
1 249 . 16 1 1 A 29 29 GLU CB C 29 29.430 32.876 -3.446 1
1 251 . 16 1 1 A 29 29 GLU N N 29 117.810 118.077 -0.267 1
1 252 . 16 1 1 A 30 30 ARG H H 30 8.340 7.561 0.779 1
1 253 . 16 1 1 A 30 30 ARG HA H 30 4.720 4.724 -0.004 1
1 260 . 16 1 1 A 30 30 ARG CA C 30 53.350 54.994 -1.644 1
1 261 . 16 1 1 A 30 30 ARG CB C 30 29.440 32.851 -3.411 1
1 264 . 16 1 1 A 30 30 ARG N N 30 112.890 115.082 -2.192 1
1 265 . 16 1 1 A 31 31 GLY H H 31 8.100 8.000 0.100 1
1 266 . 16 1 1 A 31 31 GLY HA2 H 31 4.540 4.456 0.084 1
1 267 . 16 1 1 A 31 31 GLY HA3 H 31 3.610 4.465 -0.855 1
1 268 . 16 1 1 A 31 31 GLY CA C 31 41.630 45.346 -3.716 1
1 269 . 16 1 1 A 31 31 GLY N N 31 103.670 106.300 -2.630 1
1 270 . 16 1 1 A 32 32 VAL H H 32 9.410 8.479 0.931 1
1 271 . 16 1 1 A 32 32 VAL HA H 32 4.450 5.106 -0.656 1
1 279 . 16 1 1 A 32 32 VAL CA C 32 58.730 59.974 -1.244 1
1 280 . 16 1 1 A 32 32 VAL CB C 32 32.560 35.758 -3.198 1
1 283 . 16 1 1 A 32 32 VAL N N 32 122.160 120.483 1.677 1
1 284 . 16 1 1 A 33 33 ALA H H 33 8.560 8.515 0.045 1
1 285 . 16 1 1 A 33 33 ALA HA H 33 3.620 3.977 -0.357 1
1 289 . 16 1 1 A 33 33 ALA CA C 33 50.860 53.978 -3.118 1
1 290 . 16 1 1 A 33 33 ALA CB C 33 14.450 18.541 -4.091 1
1 291 . 16 1 1 A 33 33 ALA N N 33 129.490 129.314 0.176 1
1 292 . 16 1 1 A 34 34 GLY H H 34 8.590 8.832 -0.242 1
1 293 . 16 1 1 A 34 34 GLY HA2 H 34 4.320 3.875 0.445 1
1 294 . 16 1 1 A 34 34 GLY HA3 H 34 3.420 3.885 -0.465 1
1 295 . 16 1 1 A 34 34 GLY CA C 34 42.710 47.120 -4.410 1
1 296 . 16 1 1 A 34 34 GLY N N 34 106.900 111.848 -4.948 1
1 297 . 16 1 1 A 35 35 VAL H H 35 7.840 7.412 0.428 1
1 298 . 16 1 1 A 35 35 VAL HA H 35 4.450 4.419 0.031 1
1 306 . 16 1 1 A 35 35 VAL CA C 35 56.660 59.105 -2.445 1
1 307 . 16 1 1 A 35 35 VAL CB C 35 32.030 33.429 -1.399 1
1 310 . 16 1 1 A 35 35 VAL N N 35 121.520 119.598 1.922 1
1 311 . 16 1 1 A 36 36 PRO HA H 36 4.260 4.358 -0.098 1
1 318 . 16 1 1 A 36 36 PRO CA C 36 60.720 62.729 -2.009 1
1 319 . 16 1 1 A 36 36 PRO CB C 36 28.760 32.160 -3.400 1
1 322 . 16 1 1 A 37 37 ALA H H 37 8.920 7.719 1.201 1
1 323 . 16 1 1 A 37 37 ALA HA H 37 4.490 4.985 -0.495 1
1 327 . 16 1 1 A 37 37 ALA CA C 37 47.550 50.770 -3.220 1
1 328 . 16 1 1 A 37 37 ALA CB C 37 17.110 23.479 -6.369 1
1 329 . 16 1 1 A 37 37 ALA N N 37 129.160 122.030 7.130 1
1 330 . 16 1 1 A 38 38 GLU H H 38 8.470 9.052 -0.582 1
1 331 . 16 1 1 A 38 38 GLU HA H 38 4.330 5.430 -1.100 1
1 336 . 16 1 1 A 38 38 GLU CA C 38 52.150 55.713 -3.563 1
1 337 . 16 1 1 A 38 38 GLU CB C 38 31.010 32.876 -1.866 1
1 339 . 16 1 1 A 38 38 GLU N N 38 117.150 114.998 2.152 1
1 340 . 16 1 1 A 39 39 PHE H H 39 8.870 8.126 0.744 1
1 341 . 16 1 1 A 39 39 PHE HA H 39 4.520 5.478 -0.958 1
1 344 . 16 1 1 A 39 39 PHE CA C 39 54.670 55.602 -0.932 1
1 345 . 16 1 1 A 39 39 PHE CB C 39 37.170 41.609 -4.439 1
1 346 . 16 1 1 A 39 39 PHE N N 39 115.740 118.029 -2.289 1
1 347 . 16 1 1 A 40 40 SER H H 40 8.870 8.801 0.069 1
1 348 . 16 1 1 A 40 40 SER HA H 40 5.420 5.417 0.003 1
1 351 . 16 1 1 A 40 40 SER CA C 40 54.890 56.036 -1.146 1
1 352 . 16 1 1 A 40 40 SER CB C 40 63.790 66.187 -2.397 1
1 353 . 16 1 1 A 40 40 SER N N 40 113.140 113.532 -0.392 1
1 354 . 16 1 1 A 41 41 ILE H H 41 8.410 9.097 -0.687 1
1 355 . 16 1 1 A 41 41 ILE HA H 41 4.670 5.127 -0.457 1
1 365 . 16 1 1 A 41 41 ILE CA C 41 57.640 60.400 -2.760 1
1 366 . 16 1 1 A 41 41 ILE CB C 41 38.260 40.574 -2.314 1
1 370 . 16 1 1 A 41 41 ILE N N 41 118.020 123.518 -5.498 1
1 371 . 16 1 1 A 42 42 TRP H H 42 9.580 8.401 1.179 1
1 372 . 16 1 1 A 42 42 TRP HA H 42 4.870 5.845 -0.975 1
1 375 . 16 1 1 A 42 42 TRP CA C 42 56.240 55.091 1.149 1
1 376 . 16 1 1 A 42 42 TRP CB C 42 27.690 33.435 -5.745 1
1 377 . 16 1 1 A 42 42 TRP N N 42 126.430 124.486 1.944 1
1 378 . 16 1 1 A 43 43 THR H H 43 8.370 8.779 -0.409 1
1 379 . 16 1 1 A 43 43 THR HA H 43 3.800 5.152 -1.352 1
1 384 . 16 1 1 A 43 43 THR CA C 43 59.210 60.200 -0.990 1
1 385 . 16 1 1 A 43 43 THR CB C 43 67.070 70.457 -3.387 1
1 387 . 16 1 1 A 43 43 THR N N 43 112.460 115.222 -2.762 1
1 388 . 16 1 1 A 44 44 ARG HA H 44 3.910 4.704 -0.794 1
1 395 . 16 1 1 A 44 44 ARG CA C 44 57.190 55.177 2.013 1
1 396 . 16 1 1 A 44 44 ARG CB C 44 27.710 30.116 -2.406 1
1 399 . 16 1 1 A 45 45 GLU H H 45 8.260 8.370 -0.110 1
1 400 . 16 1 1 A 45 45 GLU HA H 45 4.160 4.622 -0.462 1
1 405 . 16 1 1 A 45 45 GLU CA C 45 54.510 58.108 -3.598 1
1 406 . 16 1 1 A 45 45 GLU CB C 45 27.510 31.662 -4.152 1
1 408 . 16 1 1 A 45 45 GLU N N 45 113.080 119.547 -6.467 1
1 409 . 16 1 1 A 46 46 ALA H H 46 7.550 8.181 -0.631 1
1 410 . 16 1 1 A 46 46 ALA HA H 46 3.870 4.185 -0.315 1
1 414 . 16 1 1 A 46 46 ALA CA C 46 50.350 53.362 -3.012 1
1 415 . 16 1 1 A 46 46 ALA CB C 46 18.120 19.592 -1.472 1
1 416 . 16 1 1 A 46 46 ALA N N 46 119.560 122.444 -2.884 1
1 417 . 16 1 1 A 47 47 GLY H H 47 7.450 7.922 -0.472 1
1 418 . 16 1 1 A 47 47 GLY HA2 H 47 4.180 4.152 0.028 1
1 419 . 16 1 1 A 47 47 GLY HA3 H 47 3.630 4.166 -0.536 1
1 420 . 16 1 1 A 47 47 GLY CA C 47 41.940 44.352 -2.412 1
1 421 . 16 1 1 A 47 47 GLY N N 47 102.870 104.648 -1.778 1
1 422 . 16 1 1 A 48 48 ALA H H 48 8.220 8.155 0.065 1
1 423 . 16 1 1 A 48 48 ALA HA H 48 4.290 4.451 -0.161 1
1 427 . 16 1 1 A 48 48 ALA CA C 48 49.360 52.621 -3.261 1
1 428 . 16 1 1 A 48 48 ALA CB C 48 16.590 19.800 -3.210 1
1 429 . 16 1 1 A 48 48 ALA N N 48 120.390 123.591 -3.201 1
1 430 . 16 1 1 A 49 49 GLY H H 49 8.000 8.393 -0.393 1
1 431 . 16 1 1 A 49 49 GLY HA2 H 49 3.720 3.305 0.415 1
1 432 . 16 1 1 A 49 49 GLY HA3 H 49 3.720 3.968 -0.248 1
1 433 . 16 1 1 A 49 49 GLY CA C 49 43.000 45.824 -2.824 1
1 434 . 16 1 1 A 49 49 GLY N N 49 106.720 106.776 -0.056 1
1 435 . 16 1 1 A 50 50 GLY H H 50 7.580 7.823 -0.243 1
1 436 . 16 1 1 A 50 50 GLY N N 50 104.780 108.547 -3.767 1
1 437 . 16 1 1 A 51 51 LEU HA H 51 5.300 5.282 0.018 1
1 444 . 16 1 1 A 51 51 LEU CA C 51 50.270 53.850 -3.580 1
1 445 . 16 1 1 A 51 51 LEU CB C 51 42.930 44.290 -1.360 1
1 448 . 16 1 1 A 52 52 SER H H 52 9.110 8.541 0.569 1
1 449 . 16 1 1 A 52 52 SER HA H 52 5.180 5.072 0.108 1
1 452 . 16 1 1 A 52 52 SER CA C 52 53.700 57.473 -3.773 1
1 453 . 16 1 1 A 52 52 SER CB C 52 63.000 64.334 -1.334 1
1 454 . 16 1 1 A 52 52 SER N N 52 117.210 123.232 -6.022 1
1 455 . 16 1 1 A 53 53 ILE H H 53 8.330 8.747 -0.417 1
1 456 . 16 1 1 A 53 53 ILE HA H 53 4.930 4.871 0.059 1
1 466 . 16 1 1 A 53 53 ILE CA C 53 57.220 60.792 -3.572 1
1 467 . 16 1 1 A 53 53 ILE CB C 53 37.710 40.027 -2.317 1
1 471 . 16 1 1 A 53 53 ILE N N 53 124.030 126.000 -1.970 1
1 472 . 16 1 1 A 54 54 ALA H H 54 8.920 8.566 0.354 1
1 473 . 16 1 1 A 54 54 ALA HA H 54 5.390 4.804 0.586 1
1 477 . 16 1 1 A 54 54 ALA CA C 54 47.440 50.702 -3.262 1
1 478 . 16 1 1 A 54 54 ALA CB C 54 19.810 20.170 -0.360 1
1 479 . 16 1 1 A 54 54 ALA N N 54 126.530 131.106 -4.576 1
1 480 . 16 1 1 A 55 55 VAL H H 55 9.010 8.686 0.324 1
1 481 . 16 1 1 A 55 55 VAL HA H 55 4.830 5.231 -0.401 1
1 489 . 16 1 1 A 55 55 VAL CA C 55 58.430 60.023 -1.593 1
1 490 . 16 1 1 A 55 55 VAL CB C 55 31.020 33.640 -2.620 1
1 493 . 16 1 1 A 55 55 VAL N N 55 119.590 119.056 0.534 1
1 494 . 16 1 1 A 56 56 GLU H H 56 9.270 8.859 0.411 1
1 495 . 16 1 1 A 56 56 GLU HA H 56 4.690 5.256 -0.566 1
1 500 . 16 1 1 A 56 56 GLU CA C 56 52.000 55.197 -3.197 1
1 501 . 16 1 1 A 56 56 GLU CB C 56 31.050 33.844 -2.794 1
1 503 . 16 1 1 A 56 56 GLU N N 56 127.360 124.293 3.067 1
1 504 . 16 1 1 A 57 57 GLY H H 57 8.620 8.264 0.356 1
1 505 . 16 1 1 A 57 57 GLY N N 57 108.540 111.480 -2.940 1
1 506 . 16 1 1 A 58 58 PRO HA H 58 4.480 4.341 0.139 1
1 513 . 16 1 1 A 58 58 PRO CA C 58 61.850 64.444 -2.594 1
1 514 . 16 1 1 A 58 58 PRO CB C 58 29.820 32.107 -2.287 1
1 517 . 16 1 1 A 59 59 SER H H 59 7.200 7.388 -0.188 1
1 518 . 16 1 1 A 59 59 SER HA H 59 4.620 5.093 -0.473 1
1 521 . 16 1 1 A 59 59 SER CA C 59 55.050 57.798 -2.748 1
1 522 . 16 1 1 A 59 59 SER CB C 59 63.650 67.311 -3.661 1
1 523 . 16 1 1 A 59 59 SER N N 59 106.970 113.905 -6.935 1
1 524 . 16 1 1 A 60 60 LYS H H 60 8.570 8.401 0.169 1
1 525 . 16 1 1 A 60 60 LYS HA H 60 4.000 4.489 -0.489 1
1 534 . 16 1 1 A 60 60 LYS CA C 60 54.090 56.487 -2.397 1
1 535 . 16 1 1 A 60 60 LYS CB C 60 30.480 32.522 -2.042 1
1 539 . 16 1 1 A 60 60 LYS N N 60 118.890 124.999 -6.109 1
1 540 . 16 1 1 A 61 61 ALA H H 61 8.830 8.145 0.685 1
1 541 . 16 1 1 A 61 61 ALA HA H 61 4.930 4.543 0.387 1
1 545 . 16 1 1 A 61 61 ALA CA C 61 47.980 52.988 -5.008 1
1 546 . 16 1 1 A 61 61 ALA CB C 61 17.500 19.151 -1.651 1
1 547 . 16 1 1 A 61 61 ALA N N 61 127.130 129.561 -2.431 1
1 548 . 16 1 1 A 62 62 GLU H H 62 8.440 8.492 -0.052 1
1 549 . 16 1 1 A 62 62 GLU HA H 62 4.610 4.517 0.093 1
1 554 . 16 1 1 A 62 62 GLU CA C 62 52.800 56.214 -3.414 1
1 555 . 16 1 1 A 62 62 GLU CB C 62 27.620 30.739 -3.119 1
1 557 . 16 1 1 A 62 62 GLU N N 62 121.980 124.658 -2.678 1
1 558 . 16 1 1 A 63 63 ILE H H 63 8.710 8.518 0.192 1
1 559 . 16 1 1 A 63 63 ILE HA H 63 4.710 5.242 -0.532 1
1 569 . 16 1 1 A 63 63 ILE CA C 63 58.480 59.933 -1.453 1
1 570 . 16 1 1 A 63 63 ILE CB C 63 37.820 42.341 -4.521 1
1 574 . 16 1 1 A 63 63 ILE N N 63 125.400 123.742 1.658 1
1 575 . 16 1 1 A 64 64 ALA H H 64 9.350 8.832 0.518 1
1 576 . 16 1 1 A 64 64 ALA HA H 64 5.400 4.951 0.449 1
1 580 . 16 1 1 A 64 64 ALA CA C 64 47.440 51.601 -4.161 1
1 581 . 16 1 1 A 64 64 ALA CB C 64 19.750 21.207 -1.457 1
1 582 . 16 1 1 A 64 64 ALA N N 64 130.180 125.999 4.181 1
1 583 . 16 1 1 A 65 65 PHE H H 65 8.120 8.609 -0.489 1
1 584 . 16 1 1 A 65 65 PHE HA H 65 5.410 5.109 0.301 1
1 587 . 16 1 1 A 65 65 PHE CA C 65 53.210 55.900 -2.690 1
1 588 . 16 1 1 A 65 65 PHE CB C 65 40.490 40.268 0.222 1
1 589 . 16 1 1 A 65 65 PHE N N 65 115.800 121.664 -5.864 1
1 590 . 16 1 1 A 66 66 GLU H H 66 8.360 9.186 -0.826 1
1 591 . 16 1 1 A 66 66 GLU HA H 66 4.700 4.713 -0.013 1
1 596 . 16 1 1 A 66 66 GLU CA C 66 52.100 55.189 -3.089 1
1 597 . 16 1 1 A 66 66 GLU CB C 66 30.280 32.252 -1.972 1
1 599 . 16 1 1 A 66 66 GLU N N 66 120.390 122.554 -2.164 1
1 600 . 16 1 1 A 67 67 ASP H H 67 8.880 8.957 -0.077 1
1 601 . 16 1 1 A 67 67 ASP HA H 67 5.120 4.787 0.333 1
1 604 . 16 1 1 A 67 67 ASP CA C 67 51.070 54.688 -3.618 1
1 605 . 16 1 1 A 67 67 ASP CB C 67 38.310 40.759 -2.449 1
1 606 . 16 1 1 A 67 67 ASP N N 67 124.860 126.304 -1.444 1
1 607 . 16 1 1 A 68 68 ARG H H 68 8.330 8.483 -0.153 1
1 608 . 16 1 1 A 68 68 ARG HA H 68 4.170 4.523 -0.353 1
1 613 . 16 1 1 A 68 68 ARG CA C 68 54.170 56.603 -2.433 1
1 614 . 16 1 1 A 68 68 ARG CB C 68 27.740 31.428 -3.688 1
1 615 . 16 1 1 A 68 68 ARG N N 68 125.010 123.038 1.972 1
1 616 . 16 1 1 A 69 69 LYS H H 69 7.980 7.670 0.310 1
1 617 . 16 1 1 A 69 69 LYS HA H 69 4.030 4.476 -0.446 1
1 626 . 16 1 1 A 69 69 LYS CA C 69 55.530 55.205 0.325 1
1 627 . 16 1 1 A 69 69 LYS CB C 69 26.220 32.921 -6.701 1
1 631 . 16 1 1 A 69 69 LYS N N 69 118.110 116.494 1.616 1
1 632 . 16 1 1 A 70 70 ASP H H 70 7.930 8.235 -0.305 1
1 633 . 16 1 1 A 70 70 ASP HA H 70 4.330 4.569 -0.239 1
1 636 . 16 1 1 A 70 70 ASP CA C 70 52.540 55.771 -3.231 1
1 637 . 16 1 1 A 70 70 ASP CB C 70 40.020 40.455 -0.435 1
1 638 . 16 1 1 A 70 70 ASP N N 70 116.380 117.610 -1.230 1
1 639 . 16 1 1 A 71 71 GLY H H 71 9.080 8.742 0.338 1
1 640 . 16 1 1 A 71 71 GLY HA2 H 71 4.200 3.938 0.262 1
1 641 . 16 1 1 A 71 71 GLY HA3 H 71 3.630 3.965 -0.335 1
1 642 . 16 1 1 A 71 71 GLY CA C 71 42.480 46.478 -3.998 1
1 643 . 16 1 1 A 71 71 GLY N N 71 108.240 106.886 1.354 1
1 644 . 16 1 1 A 72 72 SER H H 72 8.400 7.737 0.663 1
1 645 . 16 1 1 A 72 72 SER HA H 72 5.470 4.887 0.583 1
1 648 . 16 1 1 A 72 72 SER CA C 72 54.440 56.962 -2.522 1
1 649 . 16 1 1 A 72 72 SER CB C 72 65.130 64.071 1.059 1
1 650 . 16 1 1 A 72 72 SER N N 72 116.980 116.098 0.882 1
1 651 . 16 1 1 A 73 73 CYS H H 73 8.810 9.789 -0.979 1
1 652 . 16 1 1 A 73 73 CYS HA H 73 5.210 4.934 0.276 1
1 655 . 16 1 1 A 73 73 CYS CA C 73 53.240 57.696 -4.456 1
1 656 . 16 1 1 A 73 73 CYS CB C 73 28.520 27.879 0.641 1
1 657 . 16 1 1 A 73 73 CYS N N 73 114.140 128.157 -14.017 1
1 658 . 16 1 1 A 74 74 GLY H H 74 8.880 8.707 0.173 1
1 659 . 16 1 1 A 74 74 GLY HA2 H 74 4.540 4.014 0.526 1
1 660 . 16 1 1 A 74 74 GLY HA3 H 74 3.610 4.061 -0.451 1
1 661 . 16 1 1 A 74 74 GLY CA C 74 41.630 44.955 -3.325 1
1 662 . 16 1 1 A 74 74 GLY N N 74 110.010 114.257 -4.247 1
1 663 . 16 1 1 A 75 75 VAL H H 75 8.480 8.643 -0.163 1
1 664 . 16 1 1 A 75 75 VAL HA H 75 4.550 4.892 -0.342 1
1 672 . 16 1 1 A 75 75 VAL CA C 75 57.860 61.036 -3.176 1
1 673 . 16 1 1 A 75 75 VAL CB C 75 30.530 32.241 -1.711 1
1 676 . 16 1 1 A 75 75 VAL N N 75 122.510 125.679 -3.169 1
1 677 . 16 1 1 A 76 76 SER H H 76 8.700 9.377 -0.677 1
1 678 . 16 1 1 A 76 76 SER HA H 76 5.540 5.254 0.286 1
1 681 . 16 1 1 A 76 76 SER CA C 76 53.360 58.610 -5.250 1
1 682 . 16 1 1 A 76 76 SER CB C 76 63.190 64.621 -1.431 1
1 683 . 16 1 1 A 76 76 SER N N 76 118.910 124.522 -5.612 1
1 684 . 16 1 1 A 77 77 TYR H H 77 8.960 8.607 0.353 1
1 685 . 16 1 1 A 77 77 TYR HA H 77 4.420 5.917 -1.497 1
1 688 . 16 1 1 A 77 77 TYR CA C 77 52.780 55.902 -3.122 1
1 689 . 16 1 1 A 77 77 TYR CB C 77 39.950 41.900 -1.950 1
1 690 . 16 1 1 A 77 77 TYR N N 77 118.060 119.900 -1.840 1
1 691 . 16 1 1 A 78 78 VAL H H 78 8.160 8.349 -0.189 1
1 692 . 16 1 1 A 78 78 VAL HA H 78 4.320 4.393 -0.073 1
1 700 . 16 1 1 A 78 78 VAL CA C 78 57.510 60.200 -2.690 1
1 701 . 16 1 1 A 78 78 VAL CB C 78 32.620 34.961 -2.341 1
1 704 . 16 1 1 A 78 78 VAL N N 78 116.800 120.899 -4.099 1
1 705 . 16 1 1 A 79 79 VAL H H 79 8.730 8.515 0.215 1
1 706 . 16 1 1 A 79 79 VAL HA H 79 4.760 4.468 0.292 1
1 714 . 16 1 1 A 79 79 VAL CA C 79 55.750 60.614 -4.864 1
1 715 . 16 1 1 A 79 79 VAL CB C 79 30.530 33.563 -3.033 1
1 718 . 16 1 1 A 79 79 VAL N N 79 119.730 125.837 -6.107 1
1 719 . 16 1 1 A 80 80 GLN H H 80 8.030 9.172 -1.142 1
1 720 . 16 1 1 A 80 80 GLN HA H 80 4.240 4.390 -0.150 1
1 725 . 16 1 1 A 80 80 GLN CA C 80 53.910 57.076 -3.166 1
1 726 . 16 1 1 A 80 80 GLN CB C 80 27.130 30.517 -3.387 1
1 728 . 16 1 1 A 80 80 GLN N N 80 116.150 122.836 -6.686 1
1 729 . 16 1 1 A 81 81 GLU H H 81 7.070 8.043 -0.973 1
1 730 . 16 1 1 A 81 81 GLU HA H 81 5.010 4.842 0.168 1
1 735 . 16 1 1 A 81 81 GLU CA C 81 49.600 53.248 -3.648 1
1 736 . 16 1 1 A 81 81 GLU CB C 81 29.410 32.539 -3.129 1
1 738 . 16 1 1 A 81 81 GLU N N 81 113.990 116.404 -2.414 1
1 739 . 16 1 1 A 82 82 PRO HA H 82 5.040 4.399 0.641 1
1 746 . 16 1 1 A 82 82 PRO CA C 82 59.910 63.728 -3.818 1
1 747 . 16 1 1 A 82 82 PRO CB C 82 29.280 32.311 -3.031 1
1 750 . 16 1 1 A 83 83 GLY H H 83 8.840 7.820 1.020 1
1 751 . 16 1 1 A 83 83 GLY CA C 83 41.780 44.807 -3.027 1
1 752 . 16 1 1 A 83 83 GLY N N 83 104.910 107.744 -2.834 1
1 753 . 16 1 1 A 84 84 ASP H H 84 8.250 8.351 -0.101 1
1 754 . 16 1 1 A 84 84 ASP HA H 84 5.260 5.168 0.092 1
1 757 . 16 1 1 A 84 84 ASP CA C 84 51.540 53.123 -1.583 1
1 758 . 16 1 1 A 84 84 ASP CB C 84 38.700 40.892 -2.192 1
1 759 . 16 1 1 A 84 84 ASP N N 84 118.800 120.783 -1.983 1
1 760 . 16 1 1 A 85 85 TYR H H 85 8.810 8.466 0.344 1
1 761 . 16 1 1 A 85 85 TYR HA H 85 3.970 4.983 -1.013 1
1 764 . 16 1 1 A 85 85 TYR CA C 85 53.930 58.988 -5.058 1
1 765 . 16 1 1 A 85 85 TYR CB C 85 37.760 39.318 -1.558 1
1 766 . 16 1 1 A 85 85 TYR N N 85 121.630 124.336 -2.706 1
1 767 . 16 1 1 A 86 86 GLU H H 86 9.320 8.899 0.421 1
1 768 . 16 1 1 A 86 86 GLU HA H 86 5.260 4.859 0.401 1
1 773 . 16 1 1 A 86 86 GLU CA C 86 52.350 55.319 -2.969 1
1 774 . 16 1 1 A 86 86 GLU CB C 86 30.070 31.696 -1.626 1
1 776 . 16 1 1 A 86 86 GLU N N 86 120.420 122.566 -2.146 1
1 777 . 16 1 1 A 87 87 VAL H H 87 9.810 8.317 1.493 1
1 778 . 16 1 1 A 87 87 VAL HA H 87 4.990 4.966 0.024 1
1 786 . 16 1 1 A 87 87 VAL CA C 87 58.590 59.408 -0.818 1
1 787 . 16 1 1 A 87 87 VAL CB C 87 30.210 34.121 -3.911 1
1 790 . 16 1 1 A 87 87 VAL N N 87 129.200 124.666 4.534 1
1 791 . 16 1 1 A 88 88 SER H H 88 9.560 8.567 0.993 1
1 792 . 16 1 1 A 88 88 SER HA H 88 5.170 5.221 -0.051 1
1 795 . 16 1 1 A 88 88 SER CA C 88 55.170 56.742 -1.572 1
1 796 . 16 1 1 A 88 88 SER CB C 88 62.790 64.046 -1.256 1
1 797 . 16 1 1 A 88 88 SER N N 88 121.730 123.803 -2.073 1
1 798 . 16 1 1 A 89 89 ILE H H 89 9.570 8.972 0.598 1
1 799 . 16 1 1 A 89 89 ILE HA H 89 4.920 5.371 -0.451 1
1 809 . 16 1 1 A 89 89 ILE CA C 89 57.020 59.286 -2.266 1
1 810 . 16 1 1 A 89 89 ILE CB C 89 38.120 40.087 -1.967 1
1 814 . 16 1 1 A 89 89 ILE N N 89 125.650 123.760 1.890 1
1 815 . 16 1 1 A 90 90 LYS H H 90 8.760 8.517 0.243 1
1 816 . 16 1 1 A 90 90 LYS HA H 90 5.130 5.245 -0.115 1
1 825 . 16 1 1 A 90 90 LYS CA C 90 50.980 54.654 -3.674 1
1 826 . 16 1 1 A 90 90 LYS CB C 90 33.850 35.553 -1.703 1
1 830 . 16 1 1 A 90 90 LYS N N 90 122.170 124.542 -2.372 1
1 831 . 16 1 1 A 91 91 PHE H H 91 9.040 8.401 0.639 1
1 832 . 16 1 1 A 91 91 PHE HA H 91 5.330 4.722 0.608 1
1 835 . 16 1 1 A 91 91 PHE CA C 91 53.190 57.254 -4.064 1
1 836 . 16 1 1 A 91 91 PHE CB C 91 40.200 39.569 0.631 1
1 837 . 16 1 1 A 91 91 PHE N N 91 120.990 125.227 -4.237 1
1 838 . 16 1 1 A 92 92 ASN H H 92 9.210 10.162 -0.952 1
1 839 . 16 1 1 A 92 92 ASN HA H 92 4.220 4.200 0.020 1
1 842 . 16 1 1 A 92 92 ASN CA C 92 51.480 53.894 -2.414 1
1 843 . 16 1 1 A 92 92 ASN CB C 92 33.610 36.934 -3.324 1
1 844 . 16 1 1 A 92 92 ASN N N 92 127.010 125.150 1.860 1
1 845 . 16 1 1 A 93 93 ASP H H 93 8.760 8.404 0.356 1
1 846 . 16 1 1 A 93 93 ASP HA H 93 3.970 4.087 -0.117 1
1 849 . 16 1 1 A 93 93 ASP CA C 93 53.920 55.986 -2.066 1
1 850 . 16 1 1 A 93 93 ASP CB C 93 38.060 39.037 -0.977 1
1 851 . 16 1 1 A 93 93 ASP N N 93 107.220 110.748 -3.528 1
1 852 . 16 1 1 A 94 94 GLU H H 94 7.500 8.060 -0.560 1
1 853 . 16 1 1 A 94 94 GLU HA H 94 4.700 4.580 0.120 1
1 857 . 16 1 1 A 94 94 GLU CA C 94 51.940 54.801 -2.861 1
1 858 . 16 1 1 A 94 94 GLU CB C 94 29.680 28.090 1.590 1
1 860 . 16 1 1 A 94 94 GLU N N 94 117.830 118.771 -0.941 1
1 861 . 16 1 1 A 95 95 HIS H H 95 8.770 8.017 0.753 1
1 862 . 16 1 1 A 95 95 HIS HA H 95 4.480 4.446 0.034 1
1 865 . 16 1 1 A 95 95 HIS CA C 95 56.530 57.416 -0.886 1
1 866 . 16 1 1 A 95 95 HIS CB C 95 29.690 29.677 0.013 1
1 867 . 16 1 1 A 95 95 HIS N N 95 121.910 123.608 -1.698 1
1 868 . 16 1 1 A 96 96 ILE H H 96 8.110 8.212 -0.102 1
1 869 . 16 1 1 A 96 96 ILE HA H 96 4.310 4.057 0.253 1
1 871 . 16 1 1 A 96 96 ILE CA C 96 57.520 60.201 -2.681 1
1 872 . 16 1 1 A 96 96 ILE CB C 96 32.720 38.068 -5.348 1
1 873 . 16 1 1 A 96 96 ILE N N 96 116.370 126.172 -9.802 1
1 874 . 16 1 1 A 97 97 PRO CA C 97 63.500 65.703 -2.203 1
1 875 . 16 1 1 A 97 97 PRO CB C 97 28.690 31.868 -3.178 1
1 878 . 16 1 1 A 98 98 ASP H H 98 7.940 8.736 -0.796 1
1 879 . 16 1 1 A 98 98 ASP HA H 98 5.010 4.246 0.764 1
1 882 . 16 1 1 A 98 98 ASP CA C 98 54.510 57.416 -2.906 1
1 883 . 16 1 1 A 98 98 ASP CB C 98 37.760 40.493 -2.733 1
1 884 . 16 1 1 A 98 98 ASP N N 98 113.440 118.309 -4.869 1
1 885 . 16 1 1 A 99 99 SER H H 99 7.470 7.951 -0.481 1
1 886 . 16 1 1 A 99 99 SER HA H 99 4.230 4.818 -0.588 1
1 889 . 16 1 1 A 99 99 SER CA C 99 52.370 56.330 -3.960 1
1 890 . 16 1 1 A 99 99 SER CB C 99 60.430 63.471 -3.041 1
1 891 . 16 1 1 A 99 99 SER N N 99 110.680 113.456 -2.776 1
1 892 . 16 1 1 A 100 100 PRO HA H 100 4.550 5.181 -0.631 1
1 899 . 16 1 1 A 100 100 PRO CA C 100 59.920 62.545 -2.625 1
1 900 . 16 1 1 A 100 100 PRO CB C 100 31.880 31.809 0.071 1
1 903 . 16 1 1 A 101 101 PHE H H 101 9.270 8.300 0.970 1
1 904 . 16 1 1 A 101 101 PHE HA H 101 4.560 5.380 -0.820 1
1 907 . 16 1 1 A 101 101 PHE CA C 101 54.060 55.189 -1.129 1
1 908 . 16 1 1 A 101 101 PHE CB C 101 37.930 42.097 -4.167 1
1 909 . 16 1 1 A 101 101 PHE N N 101 119.180 118.443 0.737 1
1 910 . 16 1 1 A 102 102 VAL H H 102 8.760 8.627 0.133 1
1 911 . 16 1 1 A 102 102 VAL HA H 102 4.580 4.651 -0.071 1
1 919 . 16 1 1 A 102 102 VAL CA C 102 60.400 61.407 -1.007 1
1 920 . 16 1 1 A 102 102 VAL CB C 102 28.970 33.201 -4.231 1
1 923 . 16 1 1 A 102 102 VAL N N 102 123.120 120.444 2.676 1
1 924 . 16 1 1 A 103 103 VAL H H 103 9.520 10.168 -0.648 1
1 925 . 16 1 1 A 103 103 VAL HA H 103 4.390 4.690 -0.300 1
1 933 . 16 1 1 A 103 103 VAL CA C 103 57.200 59.305 -2.105 1
1 934 . 16 1 1 A 103 103 VAL CB C 103 32.060 32.825 -0.765 1
1 937 . 16 1 1 A 103 103 VAL N N 103 130.330 128.492 1.838 1
1 938 . 16 1 1 A 104 104 PRO HA H 104 4.370 4.679 -0.309 1
1 941 . 16 1 1 A 104 104 PRO CA C 104 60.240 62.808 -2.568 1
1 942 . 16 1 1 A 104 104 PRO CB C 104 29.660 31.797 -2.137 1
1 945 . 16 1 1 A 105 105 VAL H H 105 9.300 8.310 0.990 1
1 946 . 16 1 1 A 105 105 VAL HA H 105 4.300 4.747 -0.447 1
1 954 . 16 1 1 A 105 105 VAL CA C 105 59.210 61.741 -2.531 1
1 955 . 16 1 1 A 105 105 VAL CB C 105 28.840 33.047 -4.207 1
1 958 . 16 1 1 A 105 105 VAL N N 105 126.320 124.378 1.942 1
1 959 . 16 1 1 A 106 106 ALA H H 106 8.360 9.422 -1.062 1
1 960 . 16 1 1 A 106 106 ALA HA H 106 4.660 5.189 -0.529 1
1 964 . 16 1 1 A 106 106 ALA CA C 106 48.340 50.476 -2.136 1
1 965 . 16 1 1 A 106 106 ALA CB C 106 18.960 22.358 -3.398 1
1 966 . 16 1 1 A 106 106 ALA N N 106 130.550 129.119 1.431 1
1 967 . 16 1 1 A 107 107 SER H H 107 8.590 8.901 -0.311 1
1 968 . 16 1 1 A 107 107 SER HA H 107 4.490 4.791 -0.301 1
1 971 . 16 1 1 A 107 107 SER CA C 107 55.570 56.521 -0.951 1
1 972 . 16 1 1 A 107 107 SER CB C 107 61.760 64.057 -2.297 1
1 973 . 16 1 1 A 107 107 SER N N 107 112.340 119.151 -6.811 1
1 974 . 16 1 1 A 108 108 LEU H H 108 8.660 8.734 -0.074 1
1 975 . 16 1 1 A 108 108 LEU HA H 108 4.300 3.948 0.352 1
1 985 . 16 1 1 A 108 108 LEU CA C 108 53.250 56.725 -3.475 1
1 986 . 16 1 1 A 108 108 LEU CB C 108 39.650 40.123 -0.473 1
1 990 . 16 1 1 A 108 108 LEU N N 108 123.200 127.130 -3.930 1
1 991 . 16 1 1 A 109 109 SER H H 109 8.210 8.102 0.108 1
1 992 . 16 1 1 A 109 109 SER HA H 109 4.370 4.483 -0.113 1
1 995 . 16 1 1 A 109 109 SER CA C 109 55.810 58.808 -2.998 1
1 996 . 16 1 1 A 109 109 SER CB C 109 61.240 64.857 -3.617 1
1 997 . 16 1 1 A 109 109 SER N N 109 114.710 111.836 2.874 1
1 998 . 16 1 1 A 110 110 ASP H H 110 8.240 8.301 -0.061 1
1 999 . 16 1 1 A 110 110 ASP HA H 110 4.500 4.312 0.188 1
1 1002 . 16 1 1 A 110 110 ASP CA C 110 52.740 55.500 -2.760 1
1 1003 . 16 1 1 A 110 110 ASP CB C 110 38.260 40.533 -2.273 1
1 1004 . 16 1 1 A 110 110 ASP N N 110 121.030 120.635 0.395 1
1 1005 . 16 1 1 A 111 111 ASP H H 111 8.210 7.859 0.351 1
1 1006 . 16 1 1 A 111 111 ASP HA H 111 4.500 4.902 -0.402 1
1 1009 . 16 1 1 A 111 111 ASP CA C 111 52.770 55.025 -2.255 1
1 1010 . 16 1 1 A 111 111 ASP CB C 111 38.290 43.828 -5.538 1
1 1011 . 16 1 1 A 111 111 ASP N N 111 118.910 119.513 -0.603 1
1 1012 . 16 1 1 A 112 112 ALA H H 112 8.050 8.246 -0.196 1
1 1013 . 16 1 1 A 112 112 ALA HA H 112 4.170 3.959 0.211 1
1 1017 . 16 1 1 A 112 112 ALA CA C 112 50.710 52.945 -2.235 1
1 1018 . 16 1 1 A 112 112 ALA CB C 112 16.110 17.410 -1.300 1
1 1019 . 16 1 1 A 112 112 ALA N N 112 121.600 120.677 0.923 1
1 1020 . 16 1 1 A 113 113 ARG H H 113 7.960 8.165 -0.205 1
1 1021 . 16 1 1 A 113 113 ARG HA H 113 4.030 4.325 -0.295 1
1 1027 . 16 1 1 A 113 113 ARG CA C 113 55.200 56.544 -1.344 1
1 1028 . 16 1 1 A 113 113 ARG CB C 113 27.730 30.822 -3.092 1
1 1031 . 16 1 1 A 113 113 ARG N N 113 116.640 118.827 -2.187 1
1 1032 . 16 1 1 A 114 114 ARG H H 114 7.930 8.914 -0.984 1
1 1033 . 16 1 1 A 114 114 ARG HA H 114 4.000 4.420 -0.420 1
1 1040 . 16 1 1 A 114 114 ARG CA C 114 53.940 56.752 -2.812 1
1 1041 . 16 1 1 A 114 114 ARG CB C 114 30.550 30.704 -0.154 1
1 1044 . 16 1 1 A 114 114 ARG N N 114 116.380 124.753 -8.373 1
1 1045 . 16 1 1 A 115 115 LEU H H 115 8.000 7.671 0.329 1
1 1046 . 16 1 1 A 115 115 LEU HA H 115 4.320 4.430 -0.110 1
1 1056 . 16 1 1 A 115 115 LEU CA C 115 52.870 55.322 -2.452 1
1 1057 . 16 1 1 A 115 115 LEU CB C 115 39.640 44.067 -4.427 1
1 1061 . 16 1 1 A 115 115 LEU N N 115 120.260 119.123 1.137 1
1 1062 . 16 1 1 A 116 116 THR H H 116 7.970 7.865 0.105 1
1 1063 . 16 1 1 A 116 116 THR HA H 116 4.390 4.424 -0.034 1
1 1068 . 16 1 1 A 116 116 THR CA C 116 59.270 64.257 -4.987 1
1 1069 . 16 1 1 A 116 116 THR CB C 116 67.420 69.460 -2.040 1
1 1071 . 16 1 1 A 116 116 THR N N 116 113.250 112.744 0.506 1
1 1072 . 16 1 1 A 117 117 VAL H H 117 8.070 8.054 0.016 1
1 1073 . 16 1 1 A 117 117 VAL HA H 117 4.330 4.043 0.287 1
1 1078 . 16 1 1 A 117 117 VAL CA C 117 60.230 64.721 -4.491 1
1 1079 . 16 1 1 A 117 117 VAL CB C 117 30.360 31.761 -1.401 1
1 1081 . 16 1 1 A 117 117 VAL N N 117 120.990 119.539 1.451 1
1 1082 . 16 1 1 A 118 118 THR H H 118 8.210 8.025 0.185 1
1 1083 . 16 1 1 A 118 118 THR HA H 118 4.380 3.942 0.438 1
1 1088 . 16 1 1 A 118 118 THR CA C 118 58.770 63.066 -4.296 1
1 1089 . 16 1 1 A 118 118 THR CB C 118 67.420 67.635 -0.215 1
1 1091 . 16 1 1 A 118 118 THR N N 118 116.420 116.471 -0.051 1
1 1098 . 16 2 2 B 6 6 GLU H H 6 8.780 8.659 0.121 1
1 1099 . 16 2 2 B 6 6 GLU HA H 6 4.160 4.324 -0.164 1
1 1104 . 16 2 2 B 8 8 ARG H H 8 8.200 8.498 -0.298 1
1 1105 . 16 2 2 B 8 8 ARG HA H 8 4.210 4.464 -0.254 1
1 1111 . 16 2 2 B 9 9 VAL H H 9 9.000 8.394 0.606 1
1 1112 . 16 2 2 B 9 9 VAL HA H 9 4.070 4.051 0.019 1
1 1123 . 16 2 2 B 11 11 SER H H 11 8.490 8.782 -0.292 1
1 1126 . 16 2 2 B 12 12 SER HA H 12 4.410 5.404 -0.994 1
1 1129 . 16 2 2 B 13 13 VAL H H 13 8.800 8.793 0.007 1
1 1130 . 16 2 2 B 13 13 VAL HA H 13 4.010 4.887 -0.877 1
1 1138 . 16 2 2 B 14 14 PHE HA H 14 4.620 5.107 -0.487 1
1 1143 . 16 2 2 B 15 15 ILE H H 15 8.710 8.917 -0.207 1
1 1144 . 16 2 2 B 15 15 ILE HA H 15 4.140 4.707 -0.567 1
1 1154 . 16 2 2 B 16 16 THR HA H 16 4.220 5.003 -0.783 1
1 1159 . 16 2 2 B 17 17 LEU H H 17 8.270 8.983 -0.713 1
1 1160 . 16 2 2 B 17 17 LEU HA H 17 4.130 5.090 -0.960 1
1 1170 . 16 2 2 B 18 18 ALA HA H 18 4.500 4.803 -0.303 1
1 4 . 17 1 1 A 2 2 ILE H H 2 8.800 8.464 0.336 1
1 5 . 17 1 1 A 2 2 ILE N N 2 126.630 120.719 5.911 1
1 6 . 17 1 1 A 3 3 PRO HA H 3 4.360 4.383 -0.023 1
1 13 . 17 1 1 A 3 3 PRO CA C 3 60.670 66.161 -5.491 1
1 14 . 17 1 1 A 3 3 PRO CB C 3 29.390 31.278 -1.888 1
1 17 . 17 1 1 A 4 4 GLU H H 4 8.270 8.018 0.252 1
1 18 . 17 1 1 A 4 4 GLU HA H 4 4.360 4.040 0.320 1
1 23 . 17 1 1 A 4 4 GLU CA C 4 53.690 58.267 -4.577 1
1 24 . 17 1 1 A 4 4 GLU CB C 4 29.430 27.850 1.580 1
1 26 . 17 1 1 A 4 4 GLU N N 4 119.290 115.887 3.403 1
1 27 . 17 1 1 A 5 5 PHE H H 5 8.810 8.307 0.503 1
1 28 . 17 1 1 A 5 5 PHE N N 5 126.600 117.626 8.974 1
1 29 . 17 1 1 A 6 6 PHE H H 6 8.070 8.409 -0.339 1
1 30 . 17 1 1 A 6 6 PHE HA H 6 4.650 4.487 0.163 1
1 33 . 17 1 1 A 6 6 PHE CA C 6 54.920 59.184 -4.264 1
1 34 . 17 1 1 A 6 6 PHE CB C 6 37.190 39.361 -2.171 1
1 35 . 17 1 1 A 6 6 PHE N N 6 120.380 118.917 1.463 1
1 36 . 17 1 1 A 7 7 GLN H H 7 7.980 9.274 -1.294 1
1 37 . 17 1 1 A 7 7 GLN HA H 7 4.430 4.224 0.206 1
1 42 . 17 1 1 A 7 7 GLN CA C 7 54.860 58.013 -3.153 1
1 43 . 17 1 1 A 7 7 GLN CB C 7 26.570 27.146 -0.576 1
1 45 . 17 1 1 A 7 7 GLN N N 7 119.930 117.474 2.456 1
1 46 . 17 1 1 A 8 8 PHE H H 8 8.030 8.179 -0.149 1
1 47 . 17 1 1 A 8 8 PHE HA H 8 4.630 4.900 -0.270 1
1 50 . 17 1 1 A 8 8 PHE CA C 8 55.020 59.166 -4.146 1
1 51 . 17 1 1 A 8 8 PHE CB C 8 36.840 41.853 -5.013 1
1 52 . 17 1 1 A 8 8 PHE N N 8 119.560 118.805 0.755 1
1 53 . 17 1 1 A 9 9 THR H H 9 8.040 8.125 -0.085 1
1 54 . 17 1 1 A 9 9 THR HA H 9 4.300 4.412 -0.112 1
1 59 . 17 1 1 A 9 9 THR CA C 9 59.410 62.208 -2.798 1
1 60 . 17 1 1 A 9 9 THR CB C 9 67.440 69.099 -1.659 1
1 62 . 17 1 1 A 9 9 THR N N 9 114.650 112.610 2.040 1
1 63 . 17 1 1 A 10 10 VAL H H 10 8.070 7.971 0.099 1
1 64 . 17 1 1 A 10 10 VAL HA H 10 4.210 3.830 0.380 1
1 72 . 17 1 1 A 10 10 VAL CA C 10 59.470 64.698 -5.228 1
1 73 . 17 1 1 A 10 10 VAL CB C 10 30.180 32.473 -2.293 1
1 75 . 17 1 1 A 10 10 VAL N N 10 120.380 121.776 -1.396 1
1 76 . 17 1 1 A 11 11 GLY H H 11 8.200 7.651 0.549 1
1 77 . 17 1 1 A 11 11 GLY HA2 H 11 4.090 3.978 0.112 1
1 78 . 17 1 1 A 11 11 GLY HA3 H 11 4.000 3.979 0.021 1
1 79 . 17 1 1 A 11 11 GLY CA C 11 41.420 45.574 -4.154 1
1 80 . 17 1 1 A 11 11 GLY N N 11 110.910 109.087 1.823 1
1 81 . 17 1 1 A 12 12 PRO HA H 12 4.360 4.537 -0.177 1
1 88 . 17 1 1 A 12 12 PRO CA C 12 60.590 62.945 -2.355 1
1 89 . 17 1 1 A 12 12 PRO CB C 12 33.600 30.675 2.925 1
1 92 . 17 1 1 A 13 13 LEU H H 13 8.360 9.429 -1.069 1
1 93 . 17 1 1 A 13 13 LEU HA H 13 4.340 3.875 0.465 1
1 103 . 17 1 1 A 13 13 LEU CA C 13 52.800 55.452 -2.652 1
1 104 . 17 1 1 A 13 13 LEU CB C 13 39.650 39.615 0.035 1
1 108 . 17 1 1 A 13 13 LEU N N 13 120.390 119.137 1.253 1
1 109 . 17 1 1 A 14 14 GLY H H 14 8.240 8.250 -0.010 1
1 110 . 17 1 1 A 14 14 GLY HA2 H 14 3.960 3.903 0.057 1
1 111 . 17 1 1 A 14 14 GLY HA3 H 14 3.660 3.959 -0.299 1
1 112 . 17 1 1 A 14 14 GLY CA C 14 40.240 45.218 -4.978 1
1 113 . 17 1 1 A 14 14 GLY N N 14 107.860 108.620 -0.760 1
1 114 . 17 1 1 A 15 15 GLU H H 15 8.250 9.145 -0.895 1
1 115 . 17 1 1 A 15 15 GLU HA H 15 4.360 4.020 0.340 1
1 120 . 17 1 1 A 15 15 GLU CA C 15 53.920 57.521 -3.601 1
1 121 . 17 1 1 A 15 15 GLU CB C 15 27.800 28.616 -0.816 1
1 123 . 17 1 1 A 15 15 GLU N N 15 118.800 119.614 -0.814 1
1 124 . 17 1 1 A 16 16 GLY H H 16 8.460 8.469 -0.009 1
1 125 . 17 1 1 A 16 16 GLY HA2 H 16 3.960 4.122 -0.162 1
1 126 . 17 1 1 A 16 16 GLY HA3 H 16 3.880 4.125 -0.245 1
1 127 . 17 1 1 A 16 16 GLY CA C 16 42.490 44.979 -2.489 1
1 128 . 17 1 1 A 16 16 GLY N N 16 108.190 107.130 1.060 1
1 129 . 17 1 1 A 17 17 GLY H H 17 8.300 8.955 -0.655 1
1 130 . 17 1 1 A 17 17 GLY HA2 H 17 4.430 3.956 0.474 1
1 131 . 17 1 1 A 17 17 GLY HA3 H 17 3.780 4.039 -0.259 1
1 132 . 17 1 1 A 17 17 GLY CA C 17 42.550 47.093 -4.543 1
1 133 . 17 1 1 A 17 17 GLY N N 17 105.790 110.743 -4.953 1
1 134 . 17 1 1 A 18 18 ALA H H 18 8.800 8.059 0.741 1
1 135 . 17 1 1 A 18 18 ALA HA H 18 3.760 4.360 -0.600 1
1 139 . 17 1 1 A 18 18 ALA CA C 18 52.780 54.109 -1.329 1
1 140 . 17 1 1 A 18 18 ALA CB C 18 16.810 18.571 -1.761 1
1 141 . 17 1 1 A 18 18 ALA N N 18 120.770 124.456 -3.686 1
1 142 . 17 1 1 A 19 19 HIS H H 19 8.230 8.244 -0.014 1
1 143 . 17 1 1 A 19 19 HIS HA H 19 4.410 4.455 -0.045 1
1 146 . 17 1 1 A 19 19 HIS CA C 19 54.740 57.483 -2.743 1
1 147 . 17 1 1 A 19 19 HIS CB C 19 26.240 30.742 -4.502 1
1 148 . 17 1 1 A 19 19 HIS N N 19 109.490 118.608 -9.118 1
1 149 . 17 1 1 A 20 20 LYS H H 20 7.570 8.975 -1.405 1
1 150 . 17 1 1 A 20 20 LYS HA H 20 4.170 4.211 -0.041 1
1 159 . 17 1 1 A 20 20 LYS CA C 20 52.100 55.993 -3.893 1
1 160 . 17 1 1 A 20 20 LYS CB C 20 29.850 33.887 -4.037 1
1 164 . 17 1 1 A 20 20 LYS N N 20 115.920 113.265 2.655 1
1 165 . 17 1 1 A 21 21 VAL H H 21 7.460 7.367 0.093 1
1 166 . 17 1 1 A 21 21 VAL HA H 21 4.270 3.741 0.529 1
1 174 . 17 1 1 A 21 21 VAL CA C 21 60.730 61.773 -1.043 1
1 175 . 17 1 1 A 21 21 VAL CB C 21 29.340 31.803 -2.463 1
1 178 . 17 1 1 A 21 21 VAL N N 21 122.030 121.471 0.559 1
1 179 . 17 1 1 A 22 22 ARG H H 22 7.840 7.956 -0.116 1
1 180 . 17 1 1 A 22 22 ARG HA H 22 5.100 4.859 0.241 1
1 187 . 17 1 1 A 22 22 ARG CA C 22 51.230 53.951 -2.721 1
1 188 . 17 1 1 A 22 22 ARG CB C 22 31.930 31.734 0.196 1
1 191 . 17 1 1 A 22 22 ARG N N 22 121.520 129.240 -7.720 1
1 192 . 17 1 1 A 23 23 ALA H H 23 8.920 8.721 0.199 1
1 193 . 17 1 1 A 23 23 ALA HA H 23 5.580 5.219 0.361 1
1 197 . 17 1 1 A 23 23 ALA CA C 23 47.810 51.156 -3.346 1
1 198 . 17 1 1 A 23 23 ALA CB C 23 21.660 21.682 -0.022 1
1 199 . 17 1 1 A 23 23 ALA N N 23 123.300 127.799 -4.499 1
1 200 . 17 1 1 A 24 24 GLY H H 24 8.450 8.480 -0.030 1
1 201 . 17 1 1 A 24 24 GLY HA2 H 24 4.200 4.297 -0.097 1
1 202 . 17 1 1 A 24 24 GLY HA3 H 24 4.160 4.336 -0.176 1
1 203 . 17 1 1 A 24 24 GLY CA C 24 43.560 45.065 -1.505 1
1 204 . 17 1 1 A 24 24 GLY N N 24 104.220 109.470 -5.250 1
1 205 . 17 1 1 A 25 25 GLY H H 25 8.770 8.389 0.381 1
1 206 . 17 1 1 A 25 25 GLY HA2 H 25 4.880 4.336 0.544 1
1 207 . 17 1 1 A 25 25 GLY HA3 H 25 4.050 4.426 -0.376 1
1 208 . 17 1 1 A 25 25 GLY CA C 25 42.110 45.826 -3.716 1
1 209 . 17 1 1 A 25 25 GLY N N 25 109.590 110.266 -0.676 1
1 210 . 17 1 1 A 26 26 THR H H 26 8.620 8.725 -0.105 1
1 211 . 17 1 1 A 26 26 THR HA H 26 4.030 4.102 -0.072 1
1 216 . 17 1 1 A 26 26 THR CA C 26 63.280 65.123 -1.843 1
1 217 . 17 1 1 A 26 26 THR CB C 26 65.990 69.274 -3.284 1
1 219 . 17 1 1 A 26 26 THR N N 26 113.050 115.092 -2.042 1
1 220 . 17 1 1 A 27 27 GLY H H 27 9.040 8.155 0.885 1
1 221 . 17 1 1 A 27 27 GLY HA2 H 27 4.270 4.200 0.070 1
1 222 . 17 1 1 A 27 27 GLY HA3 H 27 3.390 4.378 -0.988 1
1 223 . 17 1 1 A 27 27 GLY CA C 27 44.250 46.621 -2.371 1
1 224 . 17 1 1 A 27 27 GLY N N 27 105.190 107.875 -2.685 1
1 225 . 17 1 1 A 28 28 LEU H H 28 7.450 7.808 -0.358 1
1 226 . 17 1 1 A 28 28 LEU HA H 28 4.210 4.189 0.021 1
1 236 . 17 1 1 A 28 28 LEU CA C 28 51.150 54.671 -3.521 1
1 237 . 17 1 1 A 28 28 LEU CB C 28 37.670 41.987 -4.317 1
1 241 . 17 1 1 A 28 28 LEU N N 28 114.980 119.455 -4.475 1
1 242 . 17 1 1 A 29 29 GLU H H 29 7.980 8.467 -0.487 1
1 243 . 17 1 1 A 29 29 GLU HA H 29 4.540 4.322 0.218 1
1 248 . 17 1 1 A 29 29 GLU CA C 29 54.910 58.230 -3.320 1
1 249 . 17 1 1 A 29 29 GLU CB C 29 29.430 30.832 -1.402 1
1 251 . 17 1 1 A 29 29 GLU N N 29 117.810 116.696 1.114 1
1 252 . 17 1 1 A 30 30 ARG H H 30 8.340 7.314 1.026 1
1 253 . 17 1 1 A 30 30 ARG HA H 30 4.720 4.891 -0.171 1
1 260 . 17 1 1 A 30 30 ARG CA C 30 53.350 54.615 -1.265 1
1 261 . 17 1 1 A 30 30 ARG CB C 30 29.440 35.168 -5.728 1
1 264 . 17 1 1 A 30 30 ARG N N 30 112.890 117.489 -4.599 1
1 265 . 17 1 1 A 31 31 GLY H H 31 8.100 8.006 0.094 1
1 266 . 17 1 1 A 31 31 GLY HA2 H 31 4.540 4.450 0.090 1
1 267 . 17 1 1 A 31 31 GLY HA3 H 31 3.610 4.464 -0.854 1
1 268 . 17 1 1 A 31 31 GLY CA C 31 41.630 45.017 -3.387 1
1 269 . 17 1 1 A 31 31 GLY N N 31 103.670 108.649 -4.979 1
1 270 . 17 1 1 A 32 32 VAL H H 32 9.410 8.575 0.835 1
1 271 . 17 1 1 A 32 32 VAL HA H 32 4.450 5.123 -0.673 1
1 279 . 17 1 1 A 32 32 VAL CA C 32 58.730 59.957 -1.227 1
1 280 . 17 1 1 A 32 32 VAL CB C 32 32.560 35.770 -3.210 1
1 283 . 17 1 1 A 32 32 VAL N N 32 122.160 120.560 1.600 1
1 284 . 17 1 1 A 33 33 ALA H H 33 8.560 8.510 0.050 1
1 285 . 17 1 1 A 33 33 ALA HA H 33 3.620 3.969 -0.349 1
1 289 . 17 1 1 A 33 33 ALA CA C 33 50.860 53.958 -3.098 1
1 290 . 17 1 1 A 33 33 ALA CB C 33 14.450 18.543 -4.093 1
1 291 . 17 1 1 A 33 33 ALA N N 33 129.490 129.341 0.149 1
1 292 . 17 1 1 A 34 34 GLY H H 34 8.590 8.811 -0.221 1
1 293 . 17 1 1 A 34 34 GLY HA2 H 34 4.320 3.864 0.456 1
1 294 . 17 1 1 A 34 34 GLY HA3 H 34 3.420 3.878 -0.458 1
1 295 . 17 1 1 A 34 34 GLY CA C 34 42.710 47.111 -4.401 1
1 296 . 17 1 1 A 34 34 GLY N N 34 106.900 111.643 -4.743 1
1 297 . 17 1 1 A 35 35 VAL H H 35 7.840 7.463 0.377 1
1 298 . 17 1 1 A 35 35 VAL HA H 35 4.450 4.392 0.058 1
1 306 . 17 1 1 A 35 35 VAL CA C 35 56.660 59.089 -2.429 1
1 307 . 17 1 1 A 35 35 VAL CB C 35 32.030 33.401 -1.371 1
1 310 . 17 1 1 A 35 35 VAL N N 35 121.520 119.469 2.051 1
1 311 . 17 1 1 A 36 36 PRO HA H 36 4.260 4.404 -0.144 1
1 318 . 17 1 1 A 36 36 PRO CA C 36 60.720 62.733 -2.013 1
1 319 . 17 1 1 A 36 36 PRO CB C 36 28.760 32.267 -3.507 1
1 322 . 17 1 1 A 37 37 ALA H H 37 8.920 7.798 1.122 1
1 323 . 17 1 1 A 37 37 ALA HA H 37 4.490 4.977 -0.487 1
1 327 . 17 1 1 A 37 37 ALA CA C 37 47.550 50.858 -3.308 1
1 328 . 17 1 1 A 37 37 ALA CB C 37 17.110 23.483 -6.373 1
1 329 . 17 1 1 A 37 37 ALA N N 37 129.160 121.040 8.120 1
1 330 . 17 1 1 A 38 38 GLU H H 38 8.470 9.082 -0.612 1
1 331 . 17 1 1 A 38 38 GLU HA H 38 4.330 5.367 -1.037 1
1 336 . 17 1 1 A 38 38 GLU CA C 38 52.150 55.630 -3.480 1
1 337 . 17 1 1 A 38 38 GLU CB C 38 31.010 33.071 -2.061 1
1 339 . 17 1 1 A 38 38 GLU N N 38 117.150 115.315 1.835 1
1 340 . 17 1 1 A 39 39 PHE H H 39 8.870 8.021 0.849 1
1 341 . 17 1 1 A 39 39 PHE HA H 39 4.520 5.483 -0.963 1
1 344 . 17 1 1 A 39 39 PHE CA C 39 54.670 55.381 -0.711 1
1 345 . 17 1 1 A 39 39 PHE CB C 39 37.170 41.857 -4.687 1
1 346 . 17 1 1 A 39 39 PHE N N 39 115.740 118.030 -2.290 1
1 347 . 17 1 1 A 40 40 SER H H 40 8.870 8.784 0.086 1
1 348 . 17 1 1 A 40 40 SER HA H 40 5.420 5.483 -0.063 1
1 351 . 17 1 1 A 40 40 SER CA C 40 54.890 56.519 -1.629 1
1 352 . 17 1 1 A 40 40 SER CB C 40 63.790 66.091 -2.301 1
1 353 . 17 1 1 A 40 40 SER N N 40 113.140 114.803 -1.663 1
1 354 . 17 1 1 A 41 41 ILE H H 41 8.410 8.933 -0.523 1
1 355 . 17 1 1 A 41 41 ILE HA H 41 4.670 4.920 -0.250 1
1 365 . 17 1 1 A 41 41 ILE CA C 41 57.640 60.352 -2.712 1
1 366 . 17 1 1 A 41 41 ILE CB C 41 38.260 40.952 -2.692 1
1 370 . 17 1 1 A 41 41 ILE N N 41 118.020 123.901 -5.881 1
1 371 . 17 1 1 A 42 42 TRP H H 42 9.580 8.130 1.450 1
1 372 . 17 1 1 A 42 42 TRP HA H 42 4.870 5.957 -1.087 1
1 375 . 17 1 1 A 42 42 TRP CA C 42 56.240 54.637 1.603 1
1 376 . 17 1 1 A 42 42 TRP CB C 42 27.690 32.460 -4.770 1
1 377 . 17 1 1 A 42 42 TRP N N 42 126.430 125.919 0.511 1
1 378 . 17 1 1 A 43 43 THR H H 43 8.370 8.865 -0.495 1
1 379 . 17 1 1 A 43 43 THR HA H 43 3.800 4.720 -0.920 1
1 384 . 17 1 1 A 43 43 THR CA C 43 59.210 60.731 -1.521 1
1 385 . 17 1 1 A 43 43 THR CB C 43 67.070 71.207 -4.137 1
1 387 . 17 1 1 A 43 43 THR N N 43 112.460 116.949 -4.489 1
1 388 . 17 1 1 A 44 44 ARG HA H 44 3.910 4.725 -0.815 1
1 395 . 17 1 1 A 44 44 ARG CA C 44 57.190 56.199 0.991 1
1 396 . 17 1 1 A 44 44 ARG CB C 44 27.710 30.588 -2.878 1
1 399 . 17 1 1 A 45 45 GLU H H 45 8.260 8.587 -0.327 1
1 400 . 17 1 1 A 45 45 GLU HA H 45 4.160 4.619 -0.459 1
1 405 . 17 1 1 A 45 45 GLU CA C 45 54.510 58.103 -3.593 1
1 406 . 17 1 1 A 45 45 GLU CB C 45 27.510 31.809 -4.299 1
1 408 . 17 1 1 A 45 45 GLU N N 45 113.080 126.085 -13.005 1
1 409 . 17 1 1 A 46 46 ALA H H 46 7.550 8.328 -0.778 1
1 410 . 17 1 1 A 46 46 ALA HA H 46 3.870 4.193 -0.323 1
1 414 . 17 1 1 A 46 46 ALA CA C 46 50.350 54.708 -4.358 1
1 415 . 17 1 1 A 46 46 ALA CB C 46 18.120 19.654 -1.534 1
1 416 . 17 1 1 A 46 46 ALA N N 46 119.560 122.756 -3.196 1
1 417 . 17 1 1 A 47 47 GLY H H 47 7.450 7.460 -0.010 1
1 418 . 17 1 1 A 47 47 GLY HA2 H 47 4.180 4.156 0.024 1
1 419 . 17 1 1 A 47 47 GLY HA3 H 47 3.630 4.168 -0.538 1
1 420 . 17 1 1 A 47 47 GLY CA C 47 41.940 44.300 -2.360 1
1 421 . 17 1 1 A 47 47 GLY N N 47 102.870 102.693 0.177 1
1 422 . 17 1 1 A 48 48 ALA H H 48 8.220 8.310 -0.090 1
1 423 . 17 1 1 A 48 48 ALA HA H 48 4.290 4.487 -0.197 1
1 427 . 17 1 1 A 48 48 ALA CA C 48 49.360 52.833 -3.473 1
1 428 . 17 1 1 A 48 48 ALA CB C 48 16.590 19.525 -2.935 1
1 429 . 17 1 1 A 48 48 ALA N N 48 120.390 123.387 -2.997 1
1 430 . 17 1 1 A 49 49 GLY H H 49 8.000 8.446 -0.446 1
1 431 . 17 1 1 A 49 49 GLY HA2 H 49 3.720 3.555 0.165 1
1 432 . 17 1 1 A 49 49 GLY HA3 H 49 3.720 4.104 -0.384 1
1 433 . 17 1 1 A 49 49 GLY CA C 49 43.000 45.942 -2.942 1
1 434 . 17 1 1 A 49 49 GLY N N 49 106.720 107.639 -0.919 1
1 435 . 17 1 1 A 50 50 GLY H H 50 7.580 7.971 -0.391 1
1 436 . 17 1 1 A 50 50 GLY N N 50 104.780 108.855 -4.075 1
1 437 . 17 1 1 A 51 51 LEU HA H 51 5.300 5.165 0.135 1
1 444 . 17 1 1 A 51 51 LEU CA C 51 50.270 53.978 -3.708 1
1 445 . 17 1 1 A 51 51 LEU CB C 51 42.930 43.972 -1.042 1
1 448 . 17 1 1 A 52 52 SER H H 52 9.110 8.234 0.876 1
1 449 . 17 1 1 A 52 52 SER HA H 52 5.180 4.958 0.222 1
1 452 . 17 1 1 A 52 52 SER CA C 52 53.700 57.144 -3.444 1
1 453 . 17 1 1 A 52 52 SER CB C 52 63.000 64.483 -1.483 1
1 454 . 17 1 1 A 52 52 SER N N 52 117.210 120.470 -3.260 1
1 455 . 17 1 1 A 53 53 ILE H H 53 8.330 8.697 -0.367 1
1 456 . 17 1 1 A 53 53 ILE HA H 53 4.930 5.066 -0.136 1
1 466 . 17 1 1 A 53 53 ILE CA C 53 57.220 60.314 -3.094 1
1 467 . 17 1 1 A 53 53 ILE CB C 53 37.710 41.227 -3.517 1
1 471 . 17 1 1 A 53 53 ILE N N 53 124.030 123.157 0.873 1
1 472 . 17 1 1 A 54 54 ALA H H 54 8.920 8.414 0.506 1
1 473 . 17 1 1 A 54 54 ALA HA H 54 5.390 5.021 0.369 1
1 477 . 17 1 1 A 54 54 ALA CA C 54 47.440 50.283 -2.843 1
1 478 . 17 1 1 A 54 54 ALA CB C 54 19.810 20.390 -0.580 1
1 479 . 17 1 1 A 54 54 ALA N N 54 126.530 130.401 -3.871 1
1 480 . 17 1 1 A 55 55 VAL H H 55 9.010 9.065 -0.055 1
1 481 . 17 1 1 A 55 55 VAL HA H 55 4.830 4.853 -0.023 1
1 489 . 17 1 1 A 55 55 VAL CA C 55 58.430 61.255 -2.825 1
1 490 . 17 1 1 A 55 55 VAL CB C 55 31.020 33.455 -2.435 1
1 493 . 17 1 1 A 55 55 VAL N N 55 119.590 124.166 -4.576 1
1 494 . 17 1 1 A 56 56 GLU H H 56 9.270 8.851 0.419 1
1 495 . 17 1 1 A 56 56 GLU HA H 56 4.690 5.172 -0.482 1
1 500 . 17 1 1 A 56 56 GLU CA C 56 52.000 55.063 -3.063 1
1 501 . 17 1 1 A 56 56 GLU CB C 56 31.050 33.151 -2.101 1
1 503 . 17 1 1 A 56 56 GLU N N 56 127.360 126.825 0.535 1
1 504 . 17 1 1 A 57 57 GLY H H 57 8.620 8.233 0.387 1
1 505 . 17 1 1 A 57 57 GLY N N 57 108.540 112.053 -3.513 1
1 506 . 17 1 1 A 58 58 PRO HA H 58 4.480 4.325 0.155 1
1 513 . 17 1 1 A 58 58 PRO CA C 58 61.850 64.475 -2.625 1
1 514 . 17 1 1 A 58 58 PRO CB C 58 29.820 32.003 -2.183 1
1 517 . 17 1 1 A 59 59 SER H H 59 7.200 7.211 -0.011 1
1 518 . 17 1 1 A 59 59 SER HA H 59 4.620 4.871 -0.251 1
1 521 . 17 1 1 A 59 59 SER CA C 59 55.050 56.813 -1.763 1
1 522 . 17 1 1 A 59 59 SER CB C 59 63.650 65.830 -2.180 1
1 523 . 17 1 1 A 59 59 SER N N 59 106.970 110.922 -3.952 1
1 524 . 17 1 1 A 60 60 LYS H H 60 8.570 8.287 0.283 1
1 525 . 17 1 1 A 60 60 LYS HA H 60 4.000 4.661 -0.661 1
1 534 . 17 1 1 A 60 60 LYS CA C 60 54.090 55.945 -1.855 1
1 535 . 17 1 1 A 60 60 LYS CB C 60 30.480 32.805 -2.325 1
1 539 . 17 1 1 A 60 60 LYS N N 60 118.890 123.767 -4.877 1
1 540 . 17 1 1 A 61 61 ALA H H 61 8.830 8.570 0.260 1
1 541 . 17 1 1 A 61 61 ALA HA H 61 4.930 4.754 0.176 1
1 545 . 17 1 1 A 61 61 ALA CA C 61 47.980 52.225 -4.245 1
1 546 . 17 1 1 A 61 61 ALA CB C 61 17.500 19.282 -1.782 1
1 547 . 17 1 1 A 61 61 ALA N N 61 127.130 129.210 -2.080 1
1 548 . 17 1 1 A 62 62 GLU H H 62 8.440 8.264 0.176 1
1 549 . 17 1 1 A 62 62 GLU HA H 62 4.610 4.560 0.050 1
1 554 . 17 1 1 A 62 62 GLU CA C 62 52.800 56.715 -3.915 1
1 555 . 17 1 1 A 62 62 GLU CB C 62 27.620 31.019 -3.399 1
1 557 . 17 1 1 A 62 62 GLU N N 62 121.980 121.103 0.877 1
1 558 . 17 1 1 A 63 63 ILE H H 63 8.710 8.593 0.117 1
1 559 . 17 1 1 A 63 63 ILE HA H 63 4.710 5.226 -0.516 1
1 569 . 17 1 1 A 63 63 ILE CA C 63 58.480 59.827 -1.347 1
1 570 . 17 1 1 A 63 63 ILE CB C 63 37.820 42.417 -4.597 1
1 574 . 17 1 1 A 63 63 ILE N N 63 125.400 120.591 4.809 1
1 575 . 17 1 1 A 64 64 ALA H H 64 9.350 8.759 0.591 1
1 576 . 17 1 1 A 64 64 ALA HA H 64 5.400 5.114 0.286 1
1 580 . 17 1 1 A 64 64 ALA CA C 64 47.440 51.045 -3.605 1
1 581 . 17 1 1 A 64 64 ALA CB C 64 19.750 24.109 -4.359 1
1 582 . 17 1 1 A 64 64 ALA N N 64 130.180 124.941 5.239 1
1 583 . 17 1 1 A 65 65 PHE H H 65 8.120 8.557 -0.437 1
1 584 . 17 1 1 A 65 65 PHE HA H 65 5.410 5.578 -0.168 1
1 587 . 17 1 1 A 65 65 PHE CA C 65 53.210 55.726 -2.516 1
1 588 . 17 1 1 A 65 65 PHE CB C 65 40.490 42.023 -1.533 1
1 589 . 17 1 1 A 65 65 PHE N N 65 115.800 114.998 0.802 1
1 590 . 17 1 1 A 66 66 GLU H H 66 8.360 8.942 -0.582 1
1 591 . 17 1 1 A 66 66 GLU HA H 66 4.700 4.812 -0.112 1
1 596 . 17 1 1 A 66 66 GLU CA C 66 52.100 55.061 -2.961 1
1 597 . 17 1 1 A 66 66 GLU CB C 66 30.280 33.132 -2.852 1
1 599 . 17 1 1 A 66 66 GLU N N 66 120.390 123.291 -2.901 1
1 600 . 17 1 1 A 67 67 ASP H H 67 8.880 8.962 -0.082 1
1 601 . 17 1 1 A 67 67 ASP HA H 67 5.120 4.782 0.338 1
1 604 . 17 1 1 A 67 67 ASP CA C 67 51.070 54.549 -3.479 1
1 605 . 17 1 1 A 67 67 ASP CB C 67 38.310 40.646 -2.336 1
1 606 . 17 1 1 A 67 67 ASP N N 67 124.860 126.255 -1.395 1
1 607 . 17 1 1 A 68 68 ARG H H 68 8.330 9.126 -0.796 1
1 608 . 17 1 1 A 68 68 ARG HA H 68 4.170 4.357 -0.187 1
1 613 . 17 1 1 A 68 68 ARG CA C 68 54.170 57.455 -3.285 1
1 614 . 17 1 1 A 68 68 ARG CB C 68 27.740 31.257 -3.517 1
1 615 . 17 1 1 A 68 68 ARG N N 68 125.010 123.767 1.243 1
1 616 . 17 1 1 A 69 69 LYS H H 69 7.980 7.731 0.249 1
1 617 . 17 1 1 A 69 69 LYS HA H 69 4.030 4.455 -0.425 1
1 626 . 17 1 1 A 69 69 LYS CA C 69 55.530 55.183 0.347 1
1 627 . 17 1 1 A 69 69 LYS CB C 69 26.220 33.450 -7.230 1
1 631 . 17 1 1 A 69 69 LYS N N 69 118.110 116.427 1.683 1
1 632 . 17 1 1 A 70 70 ASP H H 70 7.930 8.193 -0.263 1
1 633 . 17 1 1 A 70 70 ASP HA H 70 4.330 4.464 -0.134 1
1 636 . 17 1 1 A 70 70 ASP CA C 70 52.540 55.567 -3.027 1
1 637 . 17 1 1 A 70 70 ASP CB C 70 40.020 40.532 -0.512 1
1 638 . 17 1 1 A 70 70 ASP N N 70 116.380 117.715 -1.335 1
1 639 . 17 1 1 A 71 71 GLY H H 71 9.080 8.308 0.772 1
1 640 . 17 1 1 A 71 71 GLY HA2 H 71 4.200 3.984 0.216 1
1 641 . 17 1 1 A 71 71 GLY HA3 H 71 3.630 4.015 -0.385 1
1 642 . 17 1 1 A 71 71 GLY CA C 71 42.480 45.791 -3.311 1
1 643 . 17 1 1 A 71 71 GLY N N 71 108.240 107.283 0.957 1
1 644 . 17 1 1 A 72 72 SER H H 72 8.400 7.820 0.580 1
1 645 . 17 1 1 A 72 72 SER HA H 72 5.470 4.697 0.773 1
1 648 . 17 1 1 A 72 72 SER CA C 72 54.440 57.140 -2.700 1
1 649 . 17 1 1 A 72 72 SER CB C 72 65.130 64.273 0.857 1
1 650 . 17 1 1 A 72 72 SER N N 72 116.980 112.813 4.167 1
1 651 . 17 1 1 A 73 73 CYS H H 73 8.810 9.635 -0.825 1
1 652 . 17 1 1 A 73 73 CYS HA H 73 5.210 4.657 0.553 1
1 655 . 17 1 1 A 73 73 CYS CA C 73 53.240 58.770 -5.530 1
1 656 . 17 1 1 A 73 73 CYS CB C 73 28.520 27.866 0.654 1
1 657 . 17 1 1 A 73 73 CYS N N 73 114.140 126.616 -12.476 1
1 658 . 17 1 1 A 74 74 GLY H H 74 8.880 9.002 -0.122 1
1 659 . 17 1 1 A 74 74 GLY HA2 H 74 4.540 4.023 0.517 1
1 660 . 17 1 1 A 74 74 GLY HA3 H 74 3.610 4.050 -0.440 1
1 661 . 17 1 1 A 74 74 GLY CA C 74 41.630 45.001 -3.371 1
1 662 . 17 1 1 A 74 74 GLY N N 74 110.010 114.216 -4.206 1
1 663 . 17 1 1 A 75 75 VAL H H 75 8.480 8.369 0.111 1
1 664 . 17 1 1 A 75 75 VAL HA H 75 4.550 5.150 -0.600 1
1 672 . 17 1 1 A 75 75 VAL CA C 75 57.860 60.396 -2.536 1
1 673 . 17 1 1 A 75 75 VAL CB C 75 30.530 33.400 -2.870 1
1 676 . 17 1 1 A 75 75 VAL N N 75 122.510 122.117 0.393 1
1 677 . 17 1 1 A 76 76 SER H H 76 8.700 8.673 0.027 1
1 678 . 17 1 1 A 76 76 SER HA H 76 5.540 5.053 0.487 1
1 681 . 17 1 1 A 76 76 SER CA C 76 53.360 57.822 -4.462 1
1 682 . 17 1 1 A 76 76 SER CB C 76 63.190 64.823 -1.633 1
1 683 . 17 1 1 A 76 76 SER N N 76 118.910 123.575 -4.665 1
1 684 . 17 1 1 A 77 77 TYR H H 77 8.960 8.477 0.483 1
1 685 . 17 1 1 A 77 77 TYR HA H 77 4.420 5.674 -1.254 1
1 688 . 17 1 1 A 77 77 TYR CA C 77 52.780 56.093 -3.313 1
1 689 . 17 1 1 A 77 77 TYR CB C 77 39.950 40.967 -1.017 1
1 690 . 17 1 1 A 77 77 TYR N N 77 118.060 118.957 -0.897 1
1 691 . 17 1 1 A 78 78 VAL H H 78 8.160 8.295 -0.135 1
1 692 . 17 1 1 A 78 78 VAL HA H 78 4.320 4.344 -0.024 1
1 700 . 17 1 1 A 78 78 VAL CA C 78 57.510 60.133 -2.623 1
1 701 . 17 1 1 A 78 78 VAL CB C 78 32.620 34.892 -2.272 1
1 704 . 17 1 1 A 78 78 VAL N N 78 116.800 120.987 -4.187 1
1 705 . 17 1 1 A 79 79 VAL H H 79 8.730 8.481 0.249 1
1 706 . 17 1 1 A 79 79 VAL HA H 79 4.760 4.353 0.407 1
1 714 . 17 1 1 A 79 79 VAL CA C 79 55.750 60.861 -5.111 1
1 715 . 17 1 1 A 79 79 VAL CB C 79 30.530 33.139 -2.609 1
1 718 . 17 1 1 A 79 79 VAL N N 79 119.730 126.169 -6.439 1
1 719 . 17 1 1 A 80 80 GLN H H 80 8.030 9.128 -1.098 1
1 720 . 17 1 1 A 80 80 GLN HA H 80 4.240 4.338 -0.098 1
1 725 . 17 1 1 A 80 80 GLN CA C 80 53.910 57.162 -3.252 1
1 726 . 17 1 1 A 80 80 GLN CB C 80 27.130 30.057 -2.927 1
1 728 . 17 1 1 A 80 80 GLN N N 80 116.150 122.896 -6.746 1
1 729 . 17 1 1 A 81 81 GLU H H 81 7.070 7.848 -0.778 1
1 730 . 17 1 1 A 81 81 GLU HA H 81 5.010 4.915 0.095 1
1 735 . 17 1 1 A 81 81 GLU CA C 81 49.600 54.230 -4.630 1
1 736 . 17 1 1 A 81 81 GLU CB C 81 29.410 32.224 -2.814 1
1 738 . 17 1 1 A 81 81 GLU N N 81 113.990 114.547 -0.557 1
1 739 . 17 1 1 A 82 82 PRO HA H 82 5.040 4.414 0.626 1
1 746 . 17 1 1 A 82 82 PRO CA C 82 59.910 63.760 -3.850 1
1 747 . 17 1 1 A 82 82 PRO CB C 82 29.280 32.409 -3.129 1
1 750 . 17 1 1 A 83 83 GLY H H 83 8.840 7.810 1.030 1
1 751 . 17 1 1 A 83 83 GLY CA C 83 41.780 44.609 -2.829 1
1 752 . 17 1 1 A 83 83 GLY N N 83 104.910 107.561 -2.651 1
1 753 . 17 1 1 A 84 84 ASP H H 84 8.250 8.528 -0.278 1
1 754 . 17 1 1 A 84 84 ASP HA H 84 5.260 5.169 0.091 1
1 757 . 17 1 1 A 84 84 ASP CA C 84 51.540 52.880 -1.340 1
1 758 . 17 1 1 A 84 84 ASP CB C 84 38.700 41.010 -2.310 1
1 759 . 17 1 1 A 84 84 ASP N N 84 118.800 118.519 0.281 1
1 760 . 17 1 1 A 85 85 TYR H H 85 8.810 8.645 0.165 1
1 761 . 17 1 1 A 85 85 TYR HA H 85 3.970 4.971 -1.001 1
1 764 . 17 1 1 A 85 85 TYR CA C 85 53.930 59.196 -5.266 1
1 765 . 17 1 1 A 85 85 TYR CB C 85 37.760 39.685 -1.925 1
1 766 . 17 1 1 A 85 85 TYR N N 85 121.630 125.103 -3.473 1
1 767 . 17 1 1 A 86 86 GLU H H 86 9.320 9.236 0.084 1
1 768 . 17 1 1 A 86 86 GLU HA H 86 5.260 5.070 0.190 1
1 773 . 17 1 1 A 86 86 GLU CA C 86 52.350 55.197 -2.847 1
1 774 . 17 1 1 A 86 86 GLU CB C 86 30.070 31.837 -1.767 1
1 776 . 17 1 1 A 86 86 GLU N N 86 120.420 123.354 -2.934 1
1 777 . 17 1 1 A 87 87 VAL H H 87 9.810 8.345 1.465 1
1 778 . 17 1 1 A 87 87 VAL HA H 87 4.990 4.834 0.156 1
1 786 . 17 1 1 A 87 87 VAL CA C 87 58.590 59.454 -0.864 1
1 787 . 17 1 1 A 87 87 VAL CB C 87 30.210 33.853 -3.643 1
1 790 . 17 1 1 A 87 87 VAL N N 87 129.200 124.738 4.462 1
1 791 . 17 1 1 A 88 88 SER H H 88 9.560 8.479 1.081 1
1 792 . 17 1 1 A 88 88 SER HA H 88 5.170 5.361 -0.191 1
1 795 . 17 1 1 A 88 88 SER CA C 88 55.170 57.005 -1.835 1
1 796 . 17 1 1 A 88 88 SER CB C 88 62.790 65.390 -2.600 1
1 797 . 17 1 1 A 88 88 SER N N 88 121.730 124.834 -3.104 1
1 798 . 17 1 1 A 89 89 ILE H H 89 9.570 9.550 0.020 1
1 799 . 17 1 1 A 89 89 ILE HA H 89 4.920 5.084 -0.164 1
1 809 . 17 1 1 A 89 89 ILE CA C 89 57.020 59.047 -2.027 1
1 810 . 17 1 1 A 89 89 ILE CB C 89 38.120 41.487 -3.367 1
1 814 . 17 1 1 A 89 89 ILE N N 89 125.650 119.996 5.654 1
1 815 . 17 1 1 A 90 90 LYS H H 90 8.760 8.573 0.187 1
1 816 . 17 1 1 A 90 90 LYS HA H 90 5.130 5.211 -0.081 1
1 825 . 17 1 1 A 90 90 LYS CA C 90 50.980 54.502 -3.522 1
1 826 . 17 1 1 A 90 90 LYS CB C 90 33.850 35.224 -1.374 1
1 830 . 17 1 1 A 90 90 LYS N N 90 122.170 124.386 -2.216 1
1 831 . 17 1 1 A 91 91 PHE H H 91 9.040 8.389 0.651 1
1 832 . 17 1 1 A 91 91 PHE HA H 91 5.330 4.694 0.636 1
1 835 . 17 1 1 A 91 91 PHE CA C 91 53.190 57.631 -4.441 1
1 836 . 17 1 1 A 91 91 PHE CB C 91 40.200 39.694 0.506 1
1 837 . 17 1 1 A 91 91 PHE N N 91 120.990 125.306 -4.316 1
1 838 . 17 1 1 A 92 92 ASN H H 92 9.210 9.854 -0.644 1
1 839 . 17 1 1 A 92 92 ASN HA H 92 4.220 4.182 0.038 1
1 842 . 17 1 1 A 92 92 ASN CA C 92 51.480 53.911 -2.431 1
1 843 . 17 1 1 A 92 92 ASN CB C 92 33.610 36.971 -3.361 1
1 844 . 17 1 1 A 92 92 ASN N N 92 127.010 125.285 1.725 1
1 845 . 17 1 1 A 93 93 ASP H H 93 8.760 8.482 0.278 1
1 846 . 17 1 1 A 93 93 ASP HA H 93 3.970 4.320 -0.350 1
1 849 . 17 1 1 A 93 93 ASP CA C 93 53.920 55.984 -2.064 1
1 850 . 17 1 1 A 93 93 ASP CB C 93 38.060 39.056 -0.996 1
1 851 . 17 1 1 A 93 93 ASP N N 93 107.220 111.026 -3.806 1
1 852 . 17 1 1 A 94 94 GLU H H 94 7.500 8.065 -0.565 1
1 853 . 17 1 1 A 94 94 GLU HA H 94 4.700 4.790 -0.090 1
1 857 . 17 1 1 A 94 94 GLU CA C 94 51.940 55.414 -3.474 1
1 858 . 17 1 1 A 94 94 GLU CB C 94 29.680 30.384 -0.704 1
1 860 . 17 1 1 A 94 94 GLU N N 94 117.830 117.904 -0.074 1
1 861 . 17 1 1 A 95 95 HIS H H 95 8.770 9.098 -0.328 1
1 862 . 17 1 1 A 95 95 HIS HA H 95 4.480 4.738 -0.258 1
1 865 . 17 1 1 A 95 95 HIS CA C 95 56.530 56.275 0.255 1
1 866 . 17 1 1 A 95 95 HIS CB C 95 29.690 29.527 0.163 1
1 867 . 17 1 1 A 95 95 HIS N N 95 121.910 124.136 -2.226 1
1 868 . 17 1 1 A 96 96 ILE H H 96 8.110 8.455 -0.345 1
1 869 . 17 1 1 A 96 96 ILE HA H 96 4.310 4.235 0.075 1
1 871 . 17 1 1 A 96 96 ILE CA C 96 57.520 59.191 -1.671 1
1 872 . 17 1 1 A 96 96 ILE CB C 96 32.720 39.443 -6.723 1
1 873 . 17 1 1 A 96 96 ILE N N 96 116.370 126.680 -10.310 1
1 874 . 17 1 1 A 97 97 PRO CA C 97 63.500 63.028 0.472 1
1 875 . 17 1 1 A 97 97 PRO CB C 97 28.690 31.076 -2.386 1
1 878 . 17 1 1 A 98 98 ASP H H 98 7.940 8.321 -0.381 1
1 879 . 17 1 1 A 98 98 ASP HA H 98 5.010 4.844 0.166 1
1 882 . 17 1 1 A 98 98 ASP CA C 98 54.510 55.125 -0.615 1
1 883 . 17 1 1 A 98 98 ASP CB C 98 37.760 43.834 -6.074 1
1 884 . 17 1 1 A 98 98 ASP N N 98 113.440 121.516 -8.076 1
1 885 . 17 1 1 A 99 99 SER H H 99 7.470 8.078 -0.608 1
1 886 . 17 1 1 A 99 99 SER HA H 99 4.230 4.580 -0.350 1
1 889 . 17 1 1 A 99 99 SER CA C 99 52.370 57.769 -5.399 1
1 890 . 17 1 1 A 99 99 SER CB C 99 60.430 63.615 -3.185 1
1 891 . 17 1 1 A 99 99 SER N N 99 110.680 116.405 -5.725 1
1 892 . 17 1 1 A 100 100 PRO HA H 100 4.550 4.901 -0.351 1
1 899 . 17 1 1 A 100 100 PRO CA C 100 59.920 62.227 -2.307 1
1 900 . 17 1 1 A 100 100 PRO CB C 100 31.880 31.834 0.046 1
1 903 . 17 1 1 A 101 101 PHE H H 101 9.270 7.087 2.183 1
1 904 . 17 1 1 A 101 101 PHE HA H 101 4.560 4.687 -0.127 1
1 907 . 17 1 1 A 101 101 PHE CA C 101 54.060 56.024 -1.964 1
1 908 . 17 1 1 A 101 101 PHE CB C 101 37.930 40.597 -2.667 1
1 909 . 17 1 1 A 101 101 PHE N N 101 119.180 118.687 0.493 1
1 910 . 17 1 1 A 102 102 VAL H H 102 8.760 8.466 0.294 1
1 911 . 17 1 1 A 102 102 VAL HA H 102 4.580 4.649 -0.069 1
1 919 . 17 1 1 A 102 102 VAL CA C 102 60.400 61.182 -0.782 1
1 920 . 17 1 1 A 102 102 VAL CB C 102 28.970 33.026 -4.056 1
1 923 . 17 1 1 A 102 102 VAL N N 102 123.120 122.144 0.976 1
1 924 . 17 1 1 A 103 103 VAL H H 103 9.520 9.440 0.080 1
1 925 . 17 1 1 A 103 103 VAL HA H 103 4.390 4.728 -0.338 1
1 933 . 17 1 1 A 103 103 VAL CA C 103 57.200 59.289 -2.089 1
1 934 . 17 1 1 A 103 103 VAL CB C 103 32.060 33.284 -1.224 1
1 937 . 17 1 1 A 103 103 VAL N N 103 130.330 128.690 1.640 1
1 938 . 17 1 1 A 104 104 PRO HA H 104 4.370 4.735 -0.365 1
1 941 . 17 1 1 A 104 104 PRO CA C 104 60.240 62.720 -2.480 1
1 942 . 17 1 1 A 104 104 PRO CB C 104 29.660 31.777 -2.117 1
1 945 . 17 1 1 A 105 105 VAL H H 105 9.300 8.408 0.892 1
1 946 . 17 1 1 A 105 105 VAL HA H 105 4.300 4.768 -0.468 1
1 954 . 17 1 1 A 105 105 VAL CA C 105 59.210 61.730 -2.520 1
1 955 . 17 1 1 A 105 105 VAL CB C 105 28.840 33.119 -4.279 1
1 958 . 17 1 1 A 105 105 VAL N N 105 126.320 124.437 1.883 1
1 959 . 17 1 1 A 106 106 ALA H H 106 8.360 9.318 -0.958 1
1 960 . 17 1 1 A 106 106 ALA HA H 106 4.660 5.208 -0.548 1
1 964 . 17 1 1 A 106 106 ALA CA C 106 48.340 50.567 -2.227 1
1 965 . 17 1 1 A 106 106 ALA CB C 106 18.960 22.932 -3.972 1
1 966 . 17 1 1 A 106 106 ALA N N 106 130.550 128.794 1.756 1
1 967 . 17 1 1 A 107 107 SER H H 107 8.590 8.804 -0.214 1
1 968 . 17 1 1 A 107 107 SER HA H 107 4.490 4.677 -0.187 1
1 971 . 17 1 1 A 107 107 SER CA C 107 55.570 56.887 -1.317 1
1 972 . 17 1 1 A 107 107 SER CB C 107 61.760 62.820 -1.060 1
1 973 . 17 1 1 A 107 107 SER N N 107 112.340 118.860 -6.520 1
1 974 . 17 1 1 A 108 108 LEU H H 108 8.660 8.138 0.522 1
1 975 . 17 1 1 A 108 108 LEU HA H 108 4.300 3.953 0.347 1
1 985 . 17 1 1 A 108 108 LEU CA C 108 53.250 56.771 -3.521 1
1 986 . 17 1 1 A 108 108 LEU CB C 108 39.650 40.154 -0.504 1
1 990 . 17 1 1 A 108 108 LEU N N 108 123.200 125.894 -2.694 1
1 991 . 17 1 1 A 109 109 SER H H 109 8.210 8.114 0.096 1
1 992 . 17 1 1 A 109 109 SER HA H 109 4.370 4.457 -0.087 1
1 995 . 17 1 1 A 109 109 SER CA C 109 55.810 59.978 -4.168 1
1 996 . 17 1 1 A 109 109 SER CB C 109 61.240 63.730 -2.490 1
1 997 . 17 1 1 A 109 109 SER N N 109 114.710 114.577 0.133 1
1 998 . 17 1 1 A 110 110 ASP H H 110 8.240 8.043 0.197 1
1 999 . 17 1 1 A 110 110 ASP HA H 110 4.500 4.396 0.104 1
1 1002 . 17 1 1 A 110 110 ASP CA C 110 52.740 55.549 -2.809 1
1 1003 . 17 1 1 A 110 110 ASP CB C 110 38.260 39.602 -1.342 1
1 1004 . 17 1 1 A 110 110 ASP N N 110 121.030 118.818 2.212 1
1 1005 . 17 1 1 A 111 111 ASP H H 111 8.210 8.406 -0.196 1
1 1006 . 17 1 1 A 111 111 ASP HA H 111 4.500 4.785 -0.285 1
1 1009 . 17 1 1 A 111 111 ASP CA C 111 52.770 54.205 -1.435 1
1 1010 . 17 1 1 A 111 111 ASP CB C 111 38.290 43.266 -4.976 1
1 1011 . 17 1 1 A 111 111 ASP N N 111 118.910 117.292 1.618 1
1 1012 . 17 1 1 A 112 112 ALA H H 112 8.050 8.691 -0.641 1
1 1013 . 17 1 1 A 112 112 ALA HA H 112 4.170 4.230 -0.060 1
1 1017 . 17 1 1 A 112 112 ALA CA C 112 50.710 52.872 -2.162 1
1 1018 . 17 1 1 A 112 112 ALA CB C 112 16.110 17.398 -1.288 1
1 1019 . 17 1 1 A 112 112 ALA N N 112 121.600 121.247 0.353 1
1 1020 . 17 1 1 A 113 113 ARG H H 113 7.960 8.154 -0.194 1
1 1021 . 17 1 1 A 113 113 ARG HA H 113 4.030 4.466 -0.436 1
1 1027 . 17 1 1 A 113 113 ARG CA C 113 55.200 55.651 -0.451 1
1 1028 . 17 1 1 A 113 113 ARG CB C 113 27.730 31.797 -4.067 1
1 1031 . 17 1 1 A 113 113 ARG N N 113 116.640 118.384 -1.744 1
1 1032 . 17 1 1 A 114 114 ARG H H 114 7.930 8.527 -0.597 1
1 1033 . 17 1 1 A 114 114 ARG HA H 114 4.000 4.627 -0.627 1
1 1040 . 17 1 1 A 114 114 ARG CA C 114 53.940 55.440 -1.500 1
1 1041 . 17 1 1 A 114 114 ARG CB C 114 30.550 32.583 -2.033 1
1 1044 . 17 1 1 A 114 114 ARG N N 114 116.380 121.073 -4.693 1
1 1045 . 17 1 1 A 115 115 LEU H H 115 8.000 7.911 0.089 1
1 1046 . 17 1 1 A 115 115 LEU HA H 115 4.320 4.437 -0.117 1
1 1056 . 17 1 1 A 115 115 LEU CA C 115 52.870 55.623 -2.753 1
1 1057 . 17 1 1 A 115 115 LEU CB C 115 39.640 44.136 -4.496 1
1 1061 . 17 1 1 A 115 115 LEU N N 115 120.260 119.107 1.153 1
1 1062 . 17 1 1 A 116 116 THR H H 116 7.970 7.879 0.091 1
1 1063 . 17 1 1 A 116 116 THR HA H 116 4.390 4.354 0.036 1
1 1068 . 17 1 1 A 116 116 THR CA C 116 59.270 64.338 -5.068 1
1 1069 . 17 1 1 A 116 116 THR CB C 116 67.420 69.285 -1.865 1
1 1071 . 17 1 1 A 116 116 THR N N 116 113.250 113.255 -0.005 1
1 1072 . 17 1 1 A 117 117 VAL H H 117 8.070 8.107 -0.037 1
1 1073 . 17 1 1 A 117 117 VAL HA H 117 4.330 3.954 0.376 1
1 1078 . 17 1 1 A 117 117 VAL CA C 117 60.230 65.142 -4.912 1
1 1079 . 17 1 1 A 117 117 VAL CB C 117 30.360 31.838 -1.478 1
1 1081 . 17 1 1 A 117 117 VAL N N 117 120.990 119.522 1.468 1
1 1082 . 17 1 1 A 118 118 THR H H 118 8.210 8.057 0.153 1
1 1083 . 17 1 1 A 118 118 THR HA H 118 4.380 3.943 0.437 1
1 1088 . 17 1 1 A 118 118 THR CA C 118 58.770 63.118 -4.348 1
1 1089 . 17 1 1 A 118 118 THR CB C 118 67.420 67.666 -0.246 1
1 1091 . 17 1 1 A 118 118 THR N N 118 116.420 116.366 0.054 1
1 1098 . 17 2 2 B 6 6 GLU H H 6 8.780 8.599 0.181 1
1 1099 . 17 2 2 B 6 6 GLU HA H 6 4.160 4.397 -0.237 1
1 1104 . 17 2 2 B 8 8 ARG H H 8 8.200 8.479 -0.279 1
1 1105 . 17 2 2 B 8 8 ARG HA H 8 4.210 4.517 -0.307 1
1 1111 . 17 2 2 B 9 9 VAL H H 9 9.000 8.342 0.658 1
1 1112 . 17 2 2 B 9 9 VAL HA H 9 4.070 4.077 -0.007 1
1 1123 . 17 2 2 B 11 11 SER H H 11 8.490 8.871 -0.381 1
1 1126 . 17 2 2 B 12 12 SER HA H 12 4.410 5.311 -0.901 1
1 1129 . 17 2 2 B 13 13 VAL H H 13 8.800 8.205 0.595 1
1 1130 . 17 2 2 B 13 13 VAL HA H 13 4.010 3.885 0.125 1
1 1138 . 17 2 2 B 14 14 PHE HA H 14 4.620 5.122 -0.502 1
1 1143 . 17 2 2 B 15 15 ILE H H 15 8.710 8.733 -0.023 1
1 1144 . 17 2 2 B 15 15 ILE HA H 15 4.140 5.024 -0.884 1
1 1154 . 17 2 2 B 16 16 THR HA H 16 4.220 5.044 -0.824 1
1 1159 . 17 2 2 B 17 17 LEU H H 17 8.270 8.767 -0.497 1
1 1160 . 17 2 2 B 17 17 LEU HA H 17 4.130 5.087 -0.957 1
1 1170 . 17 2 2 B 18 18 ALA HA H 18 4.500 4.759 -0.259 1
1 4 . 18 1 1 A 2 2 ILE H H 2 8.800 8.353 0.447 1
1 5 . 18 1 1 A 2 2 ILE N N 2 126.630 120.708 5.922 1
1 6 . 18 1 1 A 3 3 PRO HA H 3 4.360 4.166 0.194 1
1 13 . 18 1 1 A 3 3 PRO CA C 3 60.670 66.059 -5.389 1
1 14 . 18 1 1 A 3 3 PRO CB C 3 29.390 31.231 -1.841 1
1 17 . 18 1 1 A 4 4 GLU H H 4 8.270 8.208 0.062 1
1 18 . 18 1 1 A 4 4 GLU HA H 4 4.360 4.225 0.135 1
1 23 . 18 1 1 A 4 4 GLU CA C 4 53.690 58.167 -4.477 1
1 24 . 18 1 1 A 4 4 GLU CB C 4 29.430 29.600 -0.170 1
1 26 . 18 1 1 A 4 4 GLU N N 4 119.290 118.511 0.779 1
1 27 . 18 1 1 A 5 5 PHE H H 5 8.810 8.088 0.722 1
1 28 . 18 1 1 A 5 5 PHE N N 5 126.600 116.075 10.525 1
1 29 . 18 1 1 A 6 6 PHE H H 6 8.070 8.495 -0.425 1
1 30 . 18 1 1 A 6 6 PHE HA H 6 4.650 4.519 0.131 1
1 33 . 18 1 1 A 6 6 PHE CA C 6 54.920 58.980 -4.060 1
1 34 . 18 1 1 A 6 6 PHE CB C 6 37.190 39.340 -2.150 1
1 35 . 18 1 1 A 6 6 PHE N N 6 120.380 118.842 1.538 1
1 36 . 18 1 1 A 7 7 GLN H H 7 7.980 9.251 -1.271 1
1 37 . 18 1 1 A 7 7 GLN HA H 7 4.430 4.521 -0.091 1
1 42 . 18 1 1 A 7 7 GLN CA C 7 54.860 57.459 -2.599 1
1 43 . 18 1 1 A 7 7 GLN CB C 7 26.570 28.603 -2.033 1
1 45 . 18 1 1 A 7 7 GLN N N 7 119.930 119.426 0.504 1
1 46 . 18 1 1 A 8 8 PHE H H 8 8.030 8.199 -0.169 1
1 47 . 18 1 1 A 8 8 PHE HA H 8 4.630 4.920 -0.290 1
1 50 . 18 1 1 A 8 8 PHE CA C 8 55.020 59.150 -4.130 1
1 51 . 18 1 1 A 8 8 PHE CB C 8 36.840 41.842 -5.002 1
1 52 . 18 1 1 A 8 8 PHE N N 8 119.560 119.550 0.010 1
1 53 . 18 1 1 A 9 9 THR H H 9 8.040 8.165 -0.125 1
1 54 . 18 1 1 A 9 9 THR HA H 9 4.300 4.466 -0.166 1
1 59 . 18 1 1 A 9 9 THR CA C 9 59.410 62.727 -3.317 1
1 60 . 18 1 1 A 9 9 THR CB C 9 67.440 68.895 -1.455 1
1 62 . 18 1 1 A 9 9 THR N N 9 114.650 112.827 1.823 1
1 63 . 18 1 1 A 10 10 VAL H H 10 8.070 8.024 0.046 1
1 64 . 18 1 1 A 10 10 VAL HA H 10 4.210 3.868 0.342 1
1 72 . 18 1 1 A 10 10 VAL CA C 10 59.470 64.843 -5.373 1
1 73 . 18 1 1 A 10 10 VAL CB C 10 30.180 32.452 -2.272 1
1 75 . 18 1 1 A 10 10 VAL N N 10 120.380 121.927 -1.547 1
1 76 . 18 1 1 A 11 11 GLY H H 11 8.200 7.605 0.595 1
1 77 . 18 1 1 A 11 11 GLY HA2 H 11 4.090 3.981 0.109 1
1 78 . 18 1 1 A 11 11 GLY HA3 H 11 4.000 3.997 0.003 1
1 79 . 18 1 1 A 11 11 GLY CA C 11 41.420 45.551 -4.131 1
1 80 . 18 1 1 A 11 11 GLY N N 11 110.910 109.248 1.662 1
1 81 . 18 1 1 A 12 12 PRO HA H 12 4.360 4.525 -0.165 1
1 88 . 18 1 1 A 12 12 PRO CA C 12 60.590 62.928 -2.338 1
1 89 . 18 1 1 A 12 12 PRO CB C 12 33.600 30.639 2.961 1
1 92 . 18 1 1 A 13 13 LEU H H 13 8.360 9.371 -1.011 1
1 93 . 18 1 1 A 13 13 LEU HA H 13 4.340 3.757 0.583 1
1 103 . 18 1 1 A 13 13 LEU CA C 13 52.800 55.374 -2.574 1
1 104 . 18 1 1 A 13 13 LEU CB C 13 39.650 39.519 0.131 1
1 108 . 18 1 1 A 13 13 LEU N N 13 120.390 119.107 1.283 1
1 109 . 18 1 1 A 14 14 GLY H H 14 8.240 8.281 -0.041 1
1 110 . 18 1 1 A 14 14 GLY HA2 H 14 3.960 3.924 0.036 1
1 111 . 18 1 1 A 14 14 GLY HA3 H 14 3.660 3.944 -0.284 1
1 112 . 18 1 1 A 14 14 GLY CA C 14 40.240 45.216 -4.976 1
1 113 . 18 1 1 A 14 14 GLY N N 14 107.860 108.622 -0.762 1
1 114 . 18 1 1 A 15 15 GLU H H 15 8.250 9.029 -0.779 1
1 115 . 18 1 1 A 15 15 GLU HA H 15 4.360 4.003 0.357 1
1 120 . 18 1 1 A 15 15 GLU CA C 15 53.920 57.496 -3.576 1
1 121 . 18 1 1 A 15 15 GLU CB C 15 27.800 28.572 -0.772 1
1 123 . 18 1 1 A 15 15 GLU N N 15 118.800 119.594 -0.794 1
1 124 . 18 1 1 A 16 16 GLY H H 16 8.460 8.435 0.025 1
1 125 . 18 1 1 A 16 16 GLY HA2 H 16 3.960 4.045 -0.085 1
1 126 . 18 1 1 A 16 16 GLY HA3 H 16 3.880 4.054 -0.174 1
1 127 . 18 1 1 A 16 16 GLY CA C 16 42.490 45.352 -2.862 1
1 128 . 18 1 1 A 16 16 GLY N N 16 108.190 106.858 1.332 1
1 129 . 18 1 1 A 17 17 GLY H H 17 8.300 8.744 -0.444 1
1 130 . 18 1 1 A 17 17 GLY HA2 H 17 4.430 3.990 0.440 1
1 131 . 18 1 1 A 17 17 GLY HA3 H 17 3.780 4.027 -0.247 1
1 132 . 18 1 1 A 17 17 GLY CA C 17 42.550 45.893 -3.343 1
1 133 . 18 1 1 A 17 17 GLY N N 17 105.790 111.960 -6.170 1
1 134 . 18 1 1 A 18 18 ALA H H 18 8.800 8.115 0.685 1
1 135 . 18 1 1 A 18 18 ALA HA H 18 3.760 4.179 -0.419 1
1 139 . 18 1 1 A 18 18 ALA CA C 18 52.780 54.359 -1.579 1
1 140 . 18 1 1 A 18 18 ALA CB C 18 16.810 18.436 -1.626 1
1 141 . 18 1 1 A 18 18 ALA N N 18 120.770 123.872 -3.102 1
1 142 . 18 1 1 A 19 19 HIS H H 19 8.230 7.494 0.736 1
1 143 . 18 1 1 A 19 19 HIS HA H 19 4.410 4.336 0.074 1
1 146 . 18 1 1 A 19 19 HIS CA C 19 54.740 58.801 -4.061 1
1 147 . 18 1 1 A 19 19 HIS CB C 19 26.240 30.457 -4.217 1
1 148 . 18 1 1 A 19 19 HIS N N 19 109.490 118.627 -9.137 1
1 149 . 18 1 1 A 20 20 LYS H H 20 7.570 8.024 -0.454 1
1 150 . 18 1 1 A 20 20 LYS HA H 20 4.170 3.970 0.200 1
1 159 . 18 1 1 A 20 20 LYS CA C 20 52.100 58.420 -6.320 1
1 160 . 18 1 1 A 20 20 LYS CB C 20 29.850 32.161 -2.311 1
1 164 . 18 1 1 A 20 20 LYS N N 20 115.920 116.943 -1.023 1
1 165 . 18 1 1 A 21 21 VAL H H 21 7.460 8.159 -0.699 1
1 166 . 18 1 1 A 21 21 VAL HA H 21 4.270 3.924 0.346 1
1 174 . 18 1 1 A 21 21 VAL CA C 21 60.730 62.716 -1.986 1
1 175 . 18 1 1 A 21 21 VAL CB C 21 29.340 31.930 -2.590 1
1 178 . 18 1 1 A 21 21 VAL N N 21 122.030 122.226 -0.196 1
1 179 . 18 1 1 A 22 22 ARG H H 22 7.840 8.789 -0.949 1
1 180 . 18 1 1 A 22 22 ARG HA H 22 5.100 5.051 0.049 1
1 187 . 18 1 1 A 22 22 ARG CA C 22 51.230 54.719 -3.489 1
1 188 . 18 1 1 A 22 22 ARG CB C 22 31.930 32.472 -0.542 1
1 191 . 18 1 1 A 22 22 ARG N N 22 121.520 128.912 -7.392 1
1 192 . 18 1 1 A 23 23 ALA H H 23 8.920 8.944 -0.024 1
1 193 . 18 1 1 A 23 23 ALA HA H 23 5.580 5.456 0.124 1
1 197 . 18 1 1 A 23 23 ALA CA C 23 47.810 51.053 -3.243 1
1 198 . 18 1 1 A 23 23 ALA CB C 23 21.660 21.920 -0.260 1
1 199 . 18 1 1 A 23 23 ALA N N 23 123.300 128.163 -4.863 1
1 200 . 18 1 1 A 24 24 GLY H H 24 8.450 8.354 0.096 1
1 201 . 18 1 1 A 24 24 GLY HA2 H 24 4.200 4.333 -0.133 1
1 202 . 18 1 1 A 24 24 GLY HA3 H 24 4.160 4.334 -0.174 1
1 203 . 18 1 1 A 24 24 GLY CA C 24 43.560 45.382 -1.822 1
1 204 . 18 1 1 A 24 24 GLY N N 24 104.220 109.159 -4.939 1
1 205 . 18 1 1 A 25 25 GLY H H 25 8.770 8.461 0.309 1
1 206 . 18 1 1 A 25 25 GLY HA2 H 25 4.880 4.305 0.575 1
1 207 . 18 1 1 A 25 25 GLY HA3 H 25 4.050 4.405 -0.355 1
1 208 . 18 1 1 A 25 25 GLY CA C 25 42.110 46.087 -3.977 1
1 209 . 18 1 1 A 25 25 GLY N N 25 109.590 110.140 -0.550 1
1 210 . 18 1 1 A 26 26 THR H H 26 8.620 8.714 -0.094 1
1 211 . 18 1 1 A 26 26 THR HA H 26 4.030 4.116 -0.086 1
1 216 . 18 1 1 A 26 26 THR CA C 26 63.280 65.163 -1.883 1
1 217 . 18 1 1 A 26 26 THR CB C 26 65.990 68.952 -2.962 1
1 219 . 18 1 1 A 26 26 THR N N 26 113.050 113.126 -0.076 1
1 220 . 18 1 1 A 27 27 GLY H H 27 9.040 8.225 0.815 1
1 221 . 18 1 1 A 27 27 GLY HA2 H 27 4.270 4.123 0.147 1
1 222 . 18 1 1 A 27 27 GLY HA3 H 27 3.390 4.282 -0.892 1
1 223 . 18 1 1 A 27 27 GLY CA C 27 44.250 46.559 -2.309 1
1 224 . 18 1 1 A 27 27 GLY N N 27 105.190 111.267 -6.077 1
1 225 . 18 1 1 A 28 28 LEU H H 28 7.450 7.878 -0.428 1
1 226 . 18 1 1 A 28 28 LEU HA H 28 4.210 4.376 -0.166 1
1 236 . 18 1 1 A 28 28 LEU CA C 28 51.150 54.305 -3.155 1
1 237 . 18 1 1 A 28 28 LEU CB C 28 37.670 41.300 -3.630 1
1 241 . 18 1 1 A 28 28 LEU N N 28 114.980 119.975 -4.995 1
1 242 . 18 1 1 A 29 29 GLU H H 29 7.980 7.591 0.389 1
1 243 . 18 1 1 A 29 29 GLU HA H 29 4.540 4.535 0.005 1
1 248 . 18 1 1 A 29 29 GLU CA C 29 54.910 57.168 -2.258 1
1 249 . 18 1 1 A 29 29 GLU CB C 29 29.430 32.651 -3.221 1
1 251 . 18 1 1 A 29 29 GLU N N 29 117.810 117.809 0.001 1
1 252 . 18 1 1 A 30 30 ARG H H 30 8.340 7.252 1.088 1
1 253 . 18 1 1 A 30 30 ARG HA H 30 4.720 4.918 -0.198 1
1 260 . 18 1 1 A 30 30 ARG CA C 30 53.350 54.940 -1.590 1
1 261 . 18 1 1 A 30 30 ARG CB C 30 29.440 34.594 -5.154 1
1 264 . 18 1 1 A 30 30 ARG N N 30 112.890 117.706 -4.816 1
1 265 . 18 1 1 A 31 31 GLY H H 31 8.100 8.058 0.042 1
1 266 . 18 1 1 A 31 31 GLY HA2 H 31 4.540 4.412 0.128 1
1 267 . 18 1 1 A 31 31 GLY HA3 H 31 3.610 4.436 -0.826 1
1 268 . 18 1 1 A 31 31 GLY CA C 31 41.630 44.983 -3.353 1
1 269 . 18 1 1 A 31 31 GLY N N 31 103.670 108.836 -5.166 1
1 270 . 18 1 1 A 32 32 VAL H H 32 9.410 8.637 0.773 1
1 271 . 18 1 1 A 32 32 VAL HA H 32 4.450 5.092 -0.642 1
1 279 . 18 1 1 A 32 32 VAL CA C 32 58.730 60.227 -1.497 1
1 280 . 18 1 1 A 32 32 VAL CB C 32 32.560 35.712 -3.152 1
1 283 . 18 1 1 A 32 32 VAL N N 32 122.160 120.709 1.451 1
1 284 . 18 1 1 A 33 33 ALA H H 33 8.560 8.532 0.028 1
1 285 . 18 1 1 A 33 33 ALA HA H 33 3.620 3.962 -0.342 1
1 289 . 18 1 1 A 33 33 ALA CA C 33 50.860 53.999 -3.139 1
1 290 . 18 1 1 A 33 33 ALA CB C 33 14.450 18.590 -4.140 1
1 291 . 18 1 1 A 33 33 ALA N N 33 129.490 129.298 0.192 1
1 292 . 18 1 1 A 34 34 GLY H H 34 8.590 8.764 -0.174 1
1 293 . 18 1 1 A 34 34 GLY HA2 H 34 4.320 3.862 0.458 1
1 294 . 18 1 1 A 34 34 GLY HA3 H 34 3.420 3.873 -0.453 1
1 295 . 18 1 1 A 34 34 GLY CA C 34 42.710 46.868 -4.158 1
1 296 . 18 1 1 A 34 34 GLY N N 34 106.900 111.760 -4.860 1
1 297 . 18 1 1 A 35 35 VAL H H 35 7.840 7.099 0.741 1
1 298 . 18 1 1 A 35 35 VAL HA H 35 4.450 4.586 -0.136 1
1 306 . 18 1 1 A 35 35 VAL CA C 35 56.660 57.997 -1.337 1
1 307 . 18 1 1 A 35 35 VAL CB C 35 32.030 34.847 -2.817 1
1 310 . 18 1 1 A 35 35 VAL N N 35 121.520 119.345 2.175 1
1 311 . 18 1 1 A 36 36 PRO HA H 36 4.260 4.414 -0.154 1
1 318 . 18 1 1 A 36 36 PRO CA C 36 60.720 62.822 -2.102 1
1 319 . 18 1 1 A 36 36 PRO CB C 36 28.760 31.775 -3.015 1
1 322 . 18 1 1 A 37 37 ALA H H 37 8.920 8.140 0.780 1
1 323 . 18 1 1 A 37 37 ALA HA H 37 4.490 4.939 -0.449 1
1 327 . 18 1 1 A 37 37 ALA CA C 37 47.550 50.283 -2.733 1
1 328 . 18 1 1 A 37 37 ALA CB C 37 17.110 22.450 -5.340 1
1 329 . 18 1 1 A 37 37 ALA N N 37 129.160 125.607 3.553 1
1 330 . 18 1 1 A 38 38 GLU H H 38 8.470 9.069 -0.599 1
1 331 . 18 1 1 A 38 38 GLU HA H 38 4.330 5.605 -1.275 1
1 336 . 18 1 1 A 38 38 GLU CA C 38 52.150 55.498 -3.348 1
1 337 . 18 1 1 A 38 38 GLU CB C 38 31.010 34.041 -3.031 1
1 339 . 18 1 1 A 38 38 GLU N N 38 117.150 117.007 0.143 1
1 340 . 18 1 1 A 39 39 PHE H H 39 8.870 8.706 0.164 1
1 341 . 18 1 1 A 39 39 PHE HA H 39 4.520 5.247 -0.727 1
1 344 . 18 1 1 A 39 39 PHE CA C 39 54.670 56.244 -1.574 1
1 345 . 18 1 1 A 39 39 PHE CB C 39 37.170 41.043 -3.873 1
1 346 . 18 1 1 A 39 39 PHE N N 39 115.740 117.914 -2.174 1
1 347 . 18 1 1 A 40 40 SER H H 40 8.870 8.502 0.368 1
1 348 . 18 1 1 A 40 40 SER HA H 40 5.420 5.096 0.324 1
1 351 . 18 1 1 A 40 40 SER CA C 40 54.890 56.743 -1.853 1
1 352 . 18 1 1 A 40 40 SER CB C 40 63.790 64.905 -1.115 1
1 353 . 18 1 1 A 40 40 SER N N 40 113.140 115.482 -2.342 1
1 354 . 18 1 1 A 41 41 ILE H H 41 8.410 9.457 -1.047 1
1 355 . 18 1 1 A 41 41 ILE HA H 41 4.670 4.916 -0.246 1
1 365 . 18 1 1 A 41 41 ILE CA C 41 57.640 61.000 -3.360 1
1 366 . 18 1 1 A 41 41 ILE CB C 41 38.260 40.029 -1.769 1
1 370 . 18 1 1 A 41 41 ILE N N 41 118.020 124.185 -6.165 1
1 371 . 18 1 1 A 42 42 TRP H H 42 9.580 8.902 0.678 1
1 372 . 18 1 1 A 42 42 TRP HA H 42 4.870 5.015 -0.145 1
1 375 . 18 1 1 A 42 42 TRP CA C 42 56.240 57.654 -1.414 1
1 376 . 18 1 1 A 42 42 TRP CB C 42 27.690 30.760 -3.070 1
1 377 . 18 1 1 A 42 42 TRP N N 42 126.430 130.996 -4.566 1
1 378 . 18 1 1 A 43 43 THR H H 43 8.370 7.969 0.401 1
1 379 . 18 1 1 A 43 43 THR HA H 43 3.800 4.391 -0.591 1
1 384 . 18 1 1 A 43 43 THR CA C 43 59.210 61.291 -2.081 1
1 385 . 18 1 1 A 43 43 THR CB C 43 67.070 71.043 -3.973 1
1 387 . 18 1 1 A 43 43 THR N N 43 112.460 119.796 -7.336 1
1 388 . 18 1 1 A 44 44 ARG HA H 44 3.910 4.303 -0.393 1
1 395 . 18 1 1 A 44 44 ARG CA C 44 57.190 55.935 1.255 1
1 396 . 18 1 1 A 44 44 ARG CB C 44 27.710 33.209 -5.499 1
1 399 . 18 1 1 A 45 45 GLU H H 45 8.260 7.907 0.353 1
1 400 . 18 1 1 A 45 45 GLU HA H 45 4.160 4.148 0.012 1
1 405 . 18 1 1 A 45 45 GLU CA C 45 54.510 59.449 -4.939 1
1 406 . 18 1 1 A 45 45 GLU CB C 45 27.510 29.550 -2.040 1
1 408 . 18 1 1 A 45 45 GLU N N 45 113.080 120.127 -7.047 1
1 409 . 18 1 1 A 46 46 ALA H H 46 7.550 7.888 -0.338 1
1 410 . 18 1 1 A 46 46 ALA HA H 46 3.870 4.136 -0.266 1
1 414 . 18 1 1 A 46 46 ALA CA C 46 50.350 54.618 -4.268 1
1 415 . 18 1 1 A 46 46 ALA CB C 46 18.120 19.671 -1.551 1
1 416 . 18 1 1 A 46 46 ALA N N 46 119.560 121.948 -2.388 1
1 417 . 18 1 1 A 47 47 GLY H H 47 7.450 7.347 0.103 1
1 418 . 18 1 1 A 47 47 GLY HA2 H 47 4.180 4.140 0.040 1
1 419 . 18 1 1 A 47 47 GLY HA3 H 47 3.630 4.187 -0.557 1
1 420 . 18 1 1 A 47 47 GLY CA C 47 41.940 44.822 -2.882 1
1 421 . 18 1 1 A 47 47 GLY N N 47 102.870 102.280 0.590 1
1 422 . 18 1 1 A 48 48 ALA H H 48 8.220 8.258 -0.038 1
1 423 . 18 1 1 A 48 48 ALA HA H 48 4.290 4.749 -0.459 1
1 427 . 18 1 1 A 48 48 ALA CA C 48 49.360 51.705 -2.345 1
1 428 . 18 1 1 A 48 48 ALA CB C 48 16.590 20.013 -3.423 1
1 429 . 18 1 1 A 48 48 ALA N N 48 120.390 123.940 -3.550 1
1 430 . 18 1 1 A 49 49 GLY H H 49 8.000 8.416 -0.416 1
1 431 . 18 1 1 A 49 49 GLY HA2 H 49 3.720 3.620 0.100 1
1 432 . 18 1 1 A 49 49 GLY HA3 H 49 3.720 4.080 -0.360 1
1 433 . 18 1 1 A 49 49 GLY CA C 49 43.000 45.693 -2.693 1
1 434 . 18 1 1 A 49 49 GLY N N 49 106.720 106.443 0.277 1
1 435 . 18 1 1 A 50 50 GLY H H 50 7.580 7.776 -0.196 1
1 436 . 18 1 1 A 50 50 GLY N N 50 104.780 110.110 -5.330 1
1 437 . 18 1 1 A 51 51 LEU HA H 51 5.300 5.311 -0.011 1
1 444 . 18 1 1 A 51 51 LEU CA C 51 50.270 53.843 -3.573 1
1 445 . 18 1 1 A 51 51 LEU CB C 51 42.930 44.591 -1.661 1
1 448 . 18 1 1 A 52 52 SER H H 52 9.110 8.620 0.490 1
1 449 . 18 1 1 A 52 52 SER HA H 52 5.180 5.097 0.083 1
1 452 . 18 1 1 A 52 52 SER CA C 52 53.700 57.648 -3.948 1
1 453 . 18 1 1 A 52 52 SER CB C 52 63.000 64.326 -1.326 1
1 454 . 18 1 1 A 52 52 SER N N 52 117.210 123.263 -6.053 1
1 455 . 18 1 1 A 53 53 ILE H H 53 8.330 8.796 -0.466 1
1 456 . 18 1 1 A 53 53 ILE HA H 53 4.930 4.864 0.066 1
1 466 . 18 1 1 A 53 53 ILE CA C 53 57.220 60.799 -3.579 1
1 467 . 18 1 1 A 53 53 ILE CB C 53 37.710 40.008 -2.298 1
1 471 . 18 1 1 A 53 53 ILE N N 53 124.030 125.997 -1.967 1
1 472 . 18 1 1 A 54 54 ALA H H 54 8.920 8.479 0.441 1
1 473 . 18 1 1 A 54 54 ALA HA H 54 5.390 4.783 0.607 1
1 477 . 18 1 1 A 54 54 ALA CA C 54 47.440 50.727 -3.287 1
1 478 . 18 1 1 A 54 54 ALA CB C 54 19.810 20.120 -0.310 1
1 479 . 18 1 1 A 54 54 ALA N N 54 126.530 131.086 -4.556 1
1 480 . 18 1 1 A 55 55 VAL H H 55 9.010 8.667 0.343 1
1 481 . 18 1 1 A 55 55 VAL HA H 55 4.830 5.087 -0.257 1
1 489 . 18 1 1 A 55 55 VAL CA C 55 58.430 60.492 -2.062 1
1 490 . 18 1 1 A 55 55 VAL CB C 55 31.020 33.473 -2.453 1
1 493 . 18 1 1 A 55 55 VAL N N 55 119.590 119.203 0.387 1
1 494 . 18 1 1 A 56 56 GLU H H 56 9.270 8.856 0.414 1
1 495 . 18 1 1 A 56 56 GLU HA H 56 4.690 5.246 -0.556 1
1 500 . 18 1 1 A 56 56 GLU CA C 56 52.000 55.197 -3.197 1
1 501 . 18 1 1 A 56 56 GLU CB C 56 31.050 33.841 -2.791 1
1 503 . 18 1 1 A 56 56 GLU N N 56 127.360 123.582 3.778 1
1 504 . 18 1 1 A 57 57 GLY H H 57 8.620 8.259 0.361 1
1 505 . 18 1 1 A 57 57 GLY N N 57 108.540 111.516 -2.976 1
1 506 . 18 1 1 A 58 58 PRO HA H 58 4.480 4.351 0.129 1
1 513 . 18 1 1 A 58 58 PRO CA C 58 61.850 64.558 -2.708 1
1 514 . 18 1 1 A 58 58 PRO CB C 58 29.820 32.149 -2.329 1
1 517 . 18 1 1 A 59 59 SER H H 59 7.200 7.422 -0.222 1
1 518 . 18 1 1 A 59 59 SER HA H 59 4.620 4.817 -0.197 1
1 521 . 18 1 1 A 59 59 SER CA C 59 55.050 56.591 -1.541 1
1 522 . 18 1 1 A 59 59 SER CB C 59 63.650 65.986 -2.336 1
1 523 . 18 1 1 A 59 59 SER N N 59 106.970 111.511 -4.541 1
1 524 . 18 1 1 A 60 60 LYS H H 60 8.570 8.527 0.043 1
1 525 . 18 1 1 A 60 60 LYS HA H 60 4.000 4.879 -0.879 1
1 534 . 18 1 1 A 60 60 LYS CA C 60 54.090 55.640 -1.550 1
1 535 . 18 1 1 A 60 60 LYS CB C 60 30.480 33.024 -2.544 1
1 539 . 18 1 1 A 60 60 LYS N N 60 118.890 122.466 -3.576 1
1 540 . 18 1 1 A 61 61 ALA H H 61 8.830 8.704 0.126 1
1 541 . 18 1 1 A 61 61 ALA HA H 61 4.930 4.600 0.330 1
1 545 . 18 1 1 A 61 61 ALA CA C 61 47.980 52.367 -4.387 1
1 546 . 18 1 1 A 61 61 ALA CB C 61 17.500 19.365 -1.865 1
1 547 . 18 1 1 A 61 61 ALA N N 61 127.130 129.014 -1.884 1
1 548 . 18 1 1 A 62 62 GLU H H 62 8.440 8.528 -0.088 1
1 549 . 18 1 1 A 62 62 GLU HA H 62 4.610 4.487 0.123 1
1 554 . 18 1 1 A 62 62 GLU CA C 62 52.800 56.351 -3.551 1
1 555 . 18 1 1 A 62 62 GLU CB C 62 27.620 30.749 -3.129 1
1 557 . 18 1 1 A 62 62 GLU N N 62 121.980 123.838 -1.858 1
1 558 . 18 1 1 A 63 63 ILE H H 63 8.710 8.633 0.077 1
1 559 . 18 1 1 A 63 63 ILE HA H 63 4.710 5.220 -0.510 1
1 569 . 18 1 1 A 63 63 ILE CA C 63 58.480 59.911 -1.431 1
1 570 . 18 1 1 A 63 63 ILE CB C 63 37.820 42.575 -4.755 1
1 574 . 18 1 1 A 63 63 ILE N N 63 125.400 124.367 1.033 1
1 575 . 18 1 1 A 64 64 ALA H H 64 9.350 8.792 0.558 1
1 576 . 18 1 1 A 64 64 ALA HA H 64 5.400 5.125 0.275 1
1 580 . 18 1 1 A 64 64 ALA CA C 64 47.440 50.983 -3.543 1
1 581 . 18 1 1 A 64 64 ALA CB C 64 19.750 23.993 -4.243 1
1 582 . 18 1 1 A 64 64 ALA N N 64 130.180 125.052 5.128 1
1 583 . 18 1 1 A 65 65 PHE H H 65 8.120 8.522 -0.402 1
1 584 . 18 1 1 A 65 65 PHE HA H 65 5.410 5.592 -0.182 1
1 587 . 18 1 1 A 65 65 PHE CA C 65 53.210 55.646 -2.436 1
1 588 . 18 1 1 A 65 65 PHE CB C 65 40.490 42.647 -2.157 1
1 589 . 18 1 1 A 65 65 PHE N N 65 115.800 114.929 0.871 1
1 590 . 18 1 1 A 66 66 GLU H H 66 8.360 8.870 -0.510 1
1 591 . 18 1 1 A 66 66 GLU HA H 66 4.700 4.754 -0.054 1
1 596 . 18 1 1 A 66 66 GLU CA C 66 52.100 55.057 -2.957 1
1 597 . 18 1 1 A 66 66 GLU CB C 66 30.280 32.846 -2.566 1
1 599 . 18 1 1 A 66 66 GLU N N 66 120.390 121.645 -1.255 1
1 600 . 18 1 1 A 67 67 ASP H H 67 8.880 9.044 -0.164 1
1 601 . 18 1 1 A 67 67 ASP HA H 67 5.120 4.783 0.337 1
1 604 . 18 1 1 A 67 67 ASP CA C 67 51.070 53.675 -2.605 1
1 605 . 18 1 1 A 67 67 ASP CB C 67 38.310 39.863 -1.553 1
1 606 . 18 1 1 A 67 67 ASP N N 67 124.860 124.824 0.036 1
1 607 . 18 1 1 A 68 68 ARG H H 68 8.330 7.798 0.532 1
1 608 . 18 1 1 A 68 68 ARG HA H 68 4.170 4.666 -0.496 1
1 613 . 18 1 1 A 68 68 ARG CA C 68 54.170 55.046 -0.876 1
1 614 . 18 1 1 A 68 68 ARG CB C 68 27.740 30.451 -2.711 1
1 615 . 18 1 1 A 68 68 ARG N N 68 125.010 120.741 4.269 1
1 616 . 18 1 1 A 69 69 LYS H H 69 7.980 7.816 0.164 1
1 617 . 18 1 1 A 69 69 LYS HA H 69 4.030 4.424 -0.394 1
1 626 . 18 1 1 A 69 69 LYS CA C 69 55.530 55.584 -0.054 1
1 627 . 18 1 1 A 69 69 LYS CB C 69 26.220 32.472 -6.252 1
1 631 . 18 1 1 A 69 69 LYS N N 69 118.110 118.271 -0.161 1
1 632 . 18 1 1 A 70 70 ASP H H 70 7.930 8.367 -0.437 1
1 633 . 18 1 1 A 70 70 ASP HA H 70 4.330 4.336 -0.006 1
1 636 . 18 1 1 A 70 70 ASP CA C 70 52.540 55.366 -2.826 1
1 637 . 18 1 1 A 70 70 ASP CB C 70 40.020 40.430 -0.410 1
1 638 . 18 1 1 A 70 70 ASP N N 70 116.380 118.469 -2.089 1
1 639 . 18 1 1 A 71 71 GLY H H 71 9.080 8.433 0.647 1
1 640 . 18 1 1 A 71 71 GLY HA2 H 71 4.200 4.127 0.073 1
1 641 . 18 1 1 A 71 71 GLY HA3 H 71 3.630 4.321 -0.691 1
1 642 . 18 1 1 A 71 71 GLY CA C 71 42.480 45.548 -3.068 1
1 643 . 18 1 1 A 71 71 GLY N N 71 108.240 105.355 2.885 1
1 644 . 18 1 1 A 72 72 SER H H 72 8.400 8.001 0.399 1
1 645 . 18 1 1 A 72 72 SER HA H 72 5.470 4.947 0.523 1
1 648 . 18 1 1 A 72 72 SER CA C 72 54.440 57.661 -3.221 1
1 649 . 18 1 1 A 72 72 SER CB C 72 65.130 64.938 0.192 1
1 650 . 18 1 1 A 72 72 SER N N 72 116.980 117.066 -0.086 1
1 651 . 18 1 1 A 73 73 CYS H H 73 8.810 8.502 0.308 1
1 652 . 18 1 1 A 73 73 CYS HA H 73 5.210 4.961 0.249 1
1 655 . 18 1 1 A 73 73 CYS CA C 73 53.240 58.084 -4.844 1
1 656 . 18 1 1 A 73 73 CYS CB C 73 28.520 28.729 -0.209 1
1 657 . 18 1 1 A 73 73 CYS N N 73 114.140 124.440 -10.300 1
1 658 . 18 1 1 A 74 74 GLY H H 74 8.880 8.750 0.130 1
1 659 . 18 1 1 A 74 74 GLY HA2 H 74 4.540 4.053 0.487 1
1 660 . 18 1 1 A 74 74 GLY HA3 H 74 3.610 4.119 -0.509 1
1 661 . 18 1 1 A 74 74 GLY CA C 74 41.630 44.647 -3.017 1
1 662 . 18 1 1 A 74 74 GLY N N 74 110.010 113.053 -3.043 1
1 663 . 18 1 1 A 75 75 VAL H H 75 8.480 8.770 -0.290 1
1 664 . 18 1 1 A 75 75 VAL HA H 75 4.550 4.991 -0.441 1
1 672 . 18 1 1 A 75 75 VAL CA C 75 57.860 61.392 -3.532 1
1 673 . 18 1 1 A 75 75 VAL CB C 75 30.530 32.783 -2.253 1
1 676 . 18 1 1 A 75 75 VAL N N 75 122.510 126.545 -4.035 1
1 677 . 18 1 1 A 76 76 SER H H 76 8.700 8.872 -0.172 1
1 678 . 18 1 1 A 76 76 SER HA H 76 5.540 5.454 0.086 1
1 681 . 18 1 1 A 76 76 SER CA C 76 53.360 58.090 -4.730 1
1 682 . 18 1 1 A 76 76 SER CB C 76 63.190 65.003 -1.813 1
1 683 . 18 1 1 A 76 76 SER N N 76 118.910 124.245 -5.335 1
1 684 . 18 1 1 A 77 77 TYR H H 77 8.960 9.505 -0.545 1
1 685 . 18 1 1 A 77 77 TYR HA H 77 4.420 5.607 -1.187 1
1 688 . 18 1 1 A 77 77 TYR CA C 77 52.780 55.653 -2.873 1
1 689 . 18 1 1 A 77 77 TYR CB C 77 39.950 41.629 -1.679 1
1 690 . 18 1 1 A 77 77 TYR N N 77 118.060 121.042 -2.982 1
1 691 . 18 1 1 A 78 78 VAL H H 78 8.160 8.635 -0.475 1
1 692 . 18 1 1 A 78 78 VAL HA H 78 4.320 4.483 -0.163 1
1 700 . 18 1 1 A 78 78 VAL CA C 78 57.510 61.327 -3.817 1
1 701 . 18 1 1 A 78 78 VAL CB C 78 32.620 34.634 -2.014 1
1 704 . 18 1 1 A 78 78 VAL N N 78 116.800 119.831 -3.031 1
1 705 . 18 1 1 A 79 79 VAL H H 79 8.730 8.901 -0.171 1
1 706 . 18 1 1 A 79 79 VAL HA H 79 4.760 4.168 0.592 1
1 714 . 18 1 1 A 79 79 VAL CA C 79 55.750 61.831 -6.081 1
1 715 . 18 1 1 A 79 79 VAL CB C 79 30.530 31.966 -1.436 1
1 718 . 18 1 1 A 79 79 VAL N N 79 119.730 126.931 -7.201 1
1 719 . 18 1 1 A 80 80 GLN H H 80 8.030 9.166 -1.136 1
1 720 . 18 1 1 A 80 80 GLN HA H 80 4.240 4.491 -0.251 1
1 725 . 18 1 1 A 80 80 GLN CA C 80 53.910 56.948 -3.038 1
1 726 . 18 1 1 A 80 80 GLN CB C 80 27.130 31.061 -3.931 1
1 728 . 18 1 1 A 80 80 GLN N N 80 116.150 124.317 -8.167 1
1 729 . 18 1 1 A 81 81 GLU H H 81 7.070 7.882 -0.812 1
1 730 . 18 1 1 A 81 81 GLU HA H 81 5.010 4.869 0.141 1
1 735 . 18 1 1 A 81 81 GLU CA C 81 49.600 53.317 -3.717 1
1 736 . 18 1 1 A 81 81 GLU CB C 81 29.410 32.559 -3.149 1
1 738 . 18 1 1 A 81 81 GLU N N 81 113.990 117.001 -3.011 1
1 739 . 18 1 1 A 82 82 PRO HA H 82 5.040 4.414 0.626 1
1 746 . 18 1 1 A 82 82 PRO CA C 82 59.910 63.758 -3.848 1
1 747 . 18 1 1 A 82 82 PRO CB C 82 29.280 32.511 -3.231 1
1 750 . 18 1 1 A 83 83 GLY H H 83 8.840 7.822 1.018 1
1 751 . 18 1 1 A 83 83 GLY CA C 83 41.780 44.386 -2.606 1
1 752 . 18 1 1 A 83 83 GLY N N 83 104.910 107.653 -2.743 1
1 753 . 18 1 1 A 84 84 ASP H H 84 8.250 8.398 -0.148 1
1 754 . 18 1 1 A 84 84 ASP HA H 84 5.260 5.057 0.203 1
1 757 . 18 1 1 A 84 84 ASP CA C 84 51.540 53.351 -1.811 1
1 758 . 18 1 1 A 84 84 ASP CB C 84 38.700 40.509 -1.809 1
1 759 . 18 1 1 A 84 84 ASP N N 84 118.800 120.523 -1.723 1
1 760 . 18 1 1 A 85 85 TYR H H 85 8.810 8.567 0.243 1
1 761 . 18 1 1 A 85 85 TYR HA H 85 3.970 4.969 -0.999 1
1 764 . 18 1 1 A 85 85 TYR CA C 85 53.930 58.911 -4.981 1
1 765 . 18 1 1 A 85 85 TYR CB C 85 37.760 39.717 -1.957 1
1 766 . 18 1 1 A 85 85 TYR N N 85 121.630 124.659 -3.029 1
1 767 . 18 1 1 A 86 86 GLU H H 86 9.320 8.858 0.462 1
1 768 . 18 1 1 A 86 86 GLU HA H 86 5.260 5.339 -0.079 1
1 773 . 18 1 1 A 86 86 GLU CA C 86 52.350 54.861 -2.511 1
1 774 . 18 1 1 A 86 86 GLU CB C 86 30.070 32.384 -2.314 1
1 776 . 18 1 1 A 86 86 GLU N N 86 120.420 122.483 -2.063 1
1 777 . 18 1 1 A 87 87 VAL H H 87 9.810 8.275 1.535 1
1 778 . 18 1 1 A 87 87 VAL HA H 87 4.990 4.854 0.136 1
1 786 . 18 1 1 A 87 87 VAL CA C 87 58.590 59.044 -0.454 1
1 787 . 18 1 1 A 87 87 VAL CB C 87 30.210 34.576 -4.366 1
1 790 . 18 1 1 A 87 87 VAL N N 87 129.200 122.645 6.555 1
1 791 . 18 1 1 A 88 88 SER H H 88 9.560 8.529 1.031 1
1 792 . 18 1 1 A 88 88 SER HA H 88 5.170 4.827 0.343 1
1 795 . 18 1 1 A 88 88 SER CA C 88 55.170 56.660 -1.490 1
1 796 . 18 1 1 A 88 88 SER CB C 88 62.790 64.126 -1.336 1
1 797 . 18 1 1 A 88 88 SER N N 88 121.730 123.583 -1.853 1
1 798 . 18 1 1 A 89 89 ILE H H 89 9.570 9.013 0.557 1
1 799 . 18 1 1 A 89 89 ILE HA H 89 4.920 5.409 -0.489 1
1 809 . 18 1 1 A 89 89 ILE CA C 89 57.020 59.357 -2.337 1
1 810 . 18 1 1 A 89 89 ILE CB C 89 38.120 40.164 -2.044 1
1 814 . 18 1 1 A 89 89 ILE N N 89 125.650 123.735 1.915 1
1 815 . 18 1 1 A 90 90 LYS H H 90 8.760 8.626 0.134 1
1 816 . 18 1 1 A 90 90 LYS HA H 90 5.130 5.325 -0.195 1
1 825 . 18 1 1 A 90 90 LYS CA C 90 50.980 54.754 -3.774 1
1 826 . 18 1 1 A 90 90 LYS CB C 90 33.850 35.556 -1.706 1
1 830 . 18 1 1 A 90 90 LYS N N 90 122.170 124.794 -2.624 1
1 831 . 18 1 1 A 91 91 PHE H H 91 9.040 8.423 0.617 1
1 832 . 18 1 1 A 91 91 PHE HA H 91 5.330 4.705 0.625 1
1 835 . 18 1 1 A 91 91 PHE CA C 91 53.190 57.727 -4.537 1
1 836 . 18 1 1 A 91 91 PHE CB C 91 40.200 39.628 0.572 1
1 837 . 18 1 1 A 91 91 PHE N N 91 120.990 125.441 -4.451 1
1 838 . 18 1 1 A 92 92 ASN H H 92 9.210 10.276 -1.066 1
1 839 . 18 1 1 A 92 92 ASN HA H 92 4.220 4.186 0.034 1
1 842 . 18 1 1 A 92 92 ASN CA C 92 51.480 53.882 -2.402 1
1 843 . 18 1 1 A 92 92 ASN CB C 92 33.610 36.916 -3.306 1
1 844 . 18 1 1 A 92 92 ASN N N 92 127.010 125.277 1.733 1
1 845 . 18 1 1 A 93 93 ASP H H 93 8.760 8.508 0.252 1
1 846 . 18 1 1 A 93 93 ASP HA H 93 3.970 4.274 -0.304 1
1 849 . 18 1 1 A 93 93 ASP CA C 93 53.920 55.966 -2.046 1
1 850 . 18 1 1 A 93 93 ASP CB C 93 38.060 39.228 -1.168 1
1 851 . 18 1 1 A 93 93 ASP N N 93 107.220 111.003 -3.783 1
1 852 . 18 1 1 A 94 94 GLU H H 94 7.500 8.036 -0.536 1
1 853 . 18 1 1 A 94 94 GLU HA H 94 4.700 4.714 -0.014 1
1 857 . 18 1 1 A 94 94 GLU CA C 94 51.940 55.361 -3.421 1
1 858 . 18 1 1 A 94 94 GLU CB C 94 29.680 30.137 -0.457 1
1 860 . 18 1 1 A 94 94 GLU N N 94 117.830 117.416 0.414 1
1 861 . 18 1 1 A 95 95 HIS H H 95 8.770 8.983 -0.213 1
1 862 . 18 1 1 A 95 95 HIS HA H 95 4.480 4.680 -0.200 1
1 865 . 18 1 1 A 95 95 HIS CA C 95 56.530 55.810 0.720 1
1 866 . 18 1 1 A 95 95 HIS CB C 95 29.690 29.752 -0.062 1
1 867 . 18 1 1 A 95 95 HIS N N 95 121.910 121.766 0.144 1
1 868 . 18 1 1 A 96 96 ILE H H 96 8.110 8.383 -0.273 1
1 869 . 18 1 1 A 96 96 ILE HA H 96 4.310 4.163 0.147 1
1 871 . 18 1 1 A 96 96 ILE CA C 96 57.520 59.405 -1.885 1
1 872 . 18 1 1 A 96 96 ILE CB C 96 32.720 39.492 -6.772 1
1 873 . 18 1 1 A 96 96 ILE N N 96 116.370 125.635 -9.265 1
1 874 . 18 1 1 A 97 97 PRO CA C 97 63.500 63.060 0.440 1
1 875 . 18 1 1 A 97 97 PRO CB C 97 28.690 31.089 -2.399 1
1 878 . 18 1 1 A 98 98 ASP H H 98 7.940 8.452 -0.512 1
1 879 . 18 1 1 A 98 98 ASP HA H 98 5.010 4.833 0.177 1
1 882 . 18 1 1 A 98 98 ASP CA C 98 54.510 55.279 -0.769 1
1 883 . 18 1 1 A 98 98 ASP CB C 98 37.760 43.886 -6.126 1
1 884 . 18 1 1 A 98 98 ASP N N 98 113.440 120.758 -7.318 1
1 885 . 18 1 1 A 99 99 SER H H 99 7.470 7.834 -0.364 1
1 886 . 18 1 1 A 99 99 SER HA H 99 4.230 4.666 -0.436 1
1 889 . 18 1 1 A 99 99 SER CA C 99 52.370 56.420 -4.050 1
1 890 . 18 1 1 A 99 99 SER CB C 99 60.430 63.962 -3.532 1
1 891 . 18 1 1 A 99 99 SER N N 99 110.680 115.621 -4.941 1
1 892 . 18 1 1 A 100 100 PRO HA H 100 4.550 4.995 -0.445 1
1 899 . 18 1 1 A 100 100 PRO CA C 100 59.920 62.304 -2.384 1
1 900 . 18 1 1 A 100 100 PRO CB C 100 31.880 31.803 0.077 1
1 903 . 18 1 1 A 101 101 PHE H H 101 9.270 7.404 1.866 1
1 904 . 18 1 1 A 101 101 PHE HA H 101 4.560 5.113 -0.553 1
1 907 . 18 1 1 A 101 101 PHE CA C 101 54.060 55.234 -1.174 1
1 908 . 18 1 1 A 101 101 PHE CB C 101 37.930 41.754 -3.824 1
1 909 . 18 1 1 A 101 101 PHE N N 101 119.180 118.819 0.361 1
1 910 . 18 1 1 A 102 102 VAL H H 102 8.760 8.408 0.352 1
1 911 . 18 1 1 A 102 102 VAL HA H 102 4.580 4.947 -0.367 1
1 919 . 18 1 1 A 102 102 VAL CA C 102 60.400 60.184 0.216 1
1 920 . 18 1 1 A 102 102 VAL CB C 102 28.970 33.818 -4.848 1
1 923 . 18 1 1 A 102 102 VAL N N 102 123.120 120.436 2.684 1
1 924 . 18 1 1 A 103 103 VAL H H 103 9.520 9.855 -0.335 1
1 925 . 18 1 1 A 103 103 VAL HA H 103 4.390 4.747 -0.357 1
1 933 . 18 1 1 A 103 103 VAL CA C 103 57.200 59.341 -2.141 1
1 934 . 18 1 1 A 103 103 VAL CB C 103 32.060 33.412 -1.352 1
1 937 . 18 1 1 A 103 103 VAL N N 103 130.330 128.375 1.955 1
1 938 . 18 1 1 A 104 104 PRO HA H 104 4.370 4.670 -0.300 1
1 941 . 18 1 1 A 104 104 PRO CA C 104 60.240 62.823 -2.583 1
1 942 . 18 1 1 A 104 104 PRO CB C 104 29.660 31.934 -2.274 1
1 945 . 18 1 1 A 105 105 VAL H H 105 9.300 8.368 0.932 1
1 946 . 18 1 1 A 105 105 VAL HA H 105 4.300 5.006 -0.706 1
1 954 . 18 1 1 A 105 105 VAL CA C 105 59.210 61.174 -1.964 1
1 955 . 18 1 1 A 105 105 VAL CB C 105 28.840 33.927 -5.087 1
1 958 . 18 1 1 A 105 105 VAL N N 105 126.320 124.491 1.829 1
1 959 . 18 1 1 A 106 106 ALA H H 106 8.360 9.311 -0.951 1
1 960 . 18 1 1 A 106 106 ALA HA H 106 4.660 5.214 -0.554 1
1 964 . 18 1 1 A 106 106 ALA CA C 106 48.340 50.423 -2.083 1
1 965 . 18 1 1 A 106 106 ALA CB C 106 18.960 22.712 -3.752 1
1 966 . 18 1 1 A 106 106 ALA N N 106 130.550 128.697 1.853 1
1 967 . 18 1 1 A 107 107 SER H H 107 8.590 8.442 0.148 1
1 968 . 18 1 1 A 107 107 SER HA H 107 4.490 4.828 -0.338 1
1 971 . 18 1 1 A 107 107 SER CA C 107 55.570 57.312 -1.742 1
1 972 . 18 1 1 A 107 107 SER CB C 107 61.760 62.823 -1.063 1
1 973 . 18 1 1 A 107 107 SER N N 107 112.340 115.979 -3.639 1
1 974 . 18 1 1 A 108 108 LEU H H 108 8.660 7.994 0.666 1
1 975 . 18 1 1 A 108 108 LEU HA H 108 4.300 3.936 0.364 1
1 985 . 18 1 1 A 108 108 LEU CA C 108 53.250 56.724 -3.474 1
1 986 . 18 1 1 A 108 108 LEU CB C 108 39.650 40.209 -0.559 1
1 990 . 18 1 1 A 108 108 LEU N N 108 123.200 118.234 4.966 1
1 991 . 18 1 1 A 109 109 SER H H 109 8.210 8.115 0.095 1
1 992 . 18 1 1 A 109 109 SER HA H 109 4.370 4.488 -0.118 1
1 995 . 18 1 1 A 109 109 SER CA C 109 55.810 59.631 -3.821 1
1 996 . 18 1 1 A 109 109 SER CB C 109 61.240 63.855 -2.615 1
1 997 . 18 1 1 A 109 109 SER N N 109 114.710 114.061 0.649 1
1 998 . 18 1 1 A 110 110 ASP H H 110 8.240 8.322 -0.082 1
1 999 . 18 1 1 A 110 110 ASP HA H 110 4.500 4.308 0.192 1
1 1002 . 18 1 1 A 110 110 ASP CA C 110 52.740 55.477 -2.737 1
1 1003 . 18 1 1 A 110 110 ASP CB C 110 38.260 40.538 -2.278 1
1 1004 . 18 1 1 A 110 110 ASP N N 110 121.030 120.118 0.912 1
1 1005 . 18 1 1 A 111 111 ASP H H 111 8.210 7.914 0.296 1
1 1006 . 18 1 1 A 111 111 ASP HA H 111 4.500 4.809 -0.309 1
1 1009 . 18 1 1 A 111 111 ASP CA C 111 52.770 54.204 -1.434 1
1 1010 . 18 1 1 A 111 111 ASP CB C 111 38.290 42.717 -4.427 1
1 1011 . 18 1 1 A 111 111 ASP N N 111 118.910 116.200 2.710 1
1 1012 . 18 1 1 A 112 112 ALA H H 112 8.050 8.633 -0.583 1
1 1013 . 18 1 1 A 112 112 ALA HA H 112 4.170 4.243 -0.073 1
1 1017 . 18 1 1 A 112 112 ALA CA C 112 50.710 52.941 -2.231 1
1 1018 . 18 1 1 A 112 112 ALA CB C 112 16.110 17.597 -1.487 1
1 1019 . 18 1 1 A 112 112 ALA N N 112 121.600 120.645 0.955 1
1 1020 . 18 1 1 A 113 113 ARG H H 113 7.960 8.104 -0.144 1
1 1021 . 18 1 1 A 113 113 ARG HA H 113 4.030 4.503 -0.473 1
1 1027 . 18 1 1 A 113 113 ARG CA C 113 55.200 55.583 -0.383 1
1 1028 . 18 1 1 A 113 113 ARG CB C 113 27.730 31.616 -3.886 1
1 1031 . 18 1 1 A 113 113 ARG N N 113 116.640 123.401 -6.761 1
1 1032 . 18 1 1 A 114 114 ARG H H 114 7.930 8.634 -0.704 1
1 1033 . 18 1 1 A 114 114 ARG HA H 114 4.000 4.562 -0.562 1
1 1040 . 18 1 1 A 114 114 ARG CA C 114 53.940 55.942 -2.002 1
1 1041 . 18 1 1 A 114 114 ARG CB C 114 30.550 32.258 -1.708 1
1 1044 . 18 1 1 A 114 114 ARG N N 114 116.380 122.272 -5.892 1
1 1045 . 18 1 1 A 115 115 LEU H H 115 8.000 7.880 0.120 1
1 1046 . 18 1 1 A 115 115 LEU HA H 115 4.320 4.412 -0.092 1
1 1056 . 18 1 1 A 115 115 LEU CA C 115 52.870 55.494 -2.624 1
1 1057 . 18 1 1 A 115 115 LEU CB C 115 39.640 44.229 -4.589 1
1 1061 . 18 1 1 A 115 115 LEU N N 115 120.260 119.155 1.105 1
1 1062 . 18 1 1 A 116 116 THR H H 116 7.970 7.887 0.083 1
1 1063 . 18 1 1 A 116 116 THR HA H 116 4.390 4.332 0.058 1
1 1068 . 18 1 1 A 116 116 THR CA C 116 59.270 64.411 -5.141 1
1 1069 . 18 1 1 A 116 116 THR CB C 116 67.420 69.307 -1.887 1
1 1071 . 18 1 1 A 116 116 THR N N 116 113.250 113.337 -0.087 1
1 1072 . 18 1 1 A 117 117 VAL H H 117 8.070 8.073 -0.003 1
1 1073 . 18 1 1 A 117 117 VAL HA H 117 4.330 4.002 0.328 1
1 1078 . 18 1 1 A 117 117 VAL CA C 117 60.230 64.915 -4.685 1
1 1079 . 18 1 1 A 117 117 VAL CB C 117 30.360 31.764 -1.404 1
1 1081 . 18 1 1 A 117 117 VAL N N 117 120.990 119.525 1.465 1
1 1082 . 18 1 1 A 118 118 THR H H 118 8.210 8.048 0.162 1
1 1083 . 18 1 1 A 118 118 THR HA H 118 4.380 3.944 0.436 1
1 1088 . 18 1 1 A 118 118 THR CA C 118 58.770 63.119 -4.349 1
1 1089 . 18 1 1 A 118 118 THR CB C 118 67.420 67.717 -0.297 1
1 1091 . 18 1 1 A 118 118 THR N N 118 116.420 116.376 0.044 1
1 1098 . 18 2 2 B 6 6 GLU H H 6 8.780 8.820 -0.040 1
1 1099 . 18 2 2 B 6 6 GLU HA H 6 4.160 4.678 -0.518 1
1 1104 . 18 2 2 B 8 8 ARG H H 8 8.200 8.674 -0.474 1
1 1105 . 18 2 2 B 8 8 ARG HA H 8 4.210 4.464 -0.254 1
1 1111 . 18 2 2 B 9 9 VAL H H 9 9.000 8.371 0.629 1
1 1112 . 18 2 2 B 9 9 VAL HA H 9 4.070 4.087 -0.017 1
1 1123 . 18 2 2 B 11 11 SER H H 11 8.490 8.826 -0.336 1
1 1126 . 18 2 2 B 12 12 SER HA H 12 4.410 5.329 -0.919 1
1 1129 . 18 2 2 B 13 13 VAL H H 13 8.800 8.705 0.095 1
1 1130 . 18 2 2 B 13 13 VAL HA H 13 4.010 4.862 -0.852 1
1 1138 . 18 2 2 B 14 14 PHE HA H 14 4.620 5.106 -0.486 1
1 1143 . 18 2 2 B 15 15 ILE H H 15 8.710 8.950 -0.240 1
1 1144 . 18 2 2 B 15 15 ILE HA H 15 4.140 4.803 -0.663 1
1 1154 . 18 2 2 B 16 16 THR HA H 16 4.220 5.155 -0.935 1
1 1159 . 18 2 2 B 17 17 LEU H H 17 8.270 9.006 -0.736 1
1 1160 . 18 2 2 B 17 17 LEU HA H 17 4.130 5.020 -0.890 1
1 1170 . 18 2 2 B 18 18 ALA HA H 18 4.500 4.946 -0.446 1
1 4 . 19 1 1 A 2 2 ILE H H 2 8.800 8.428 0.372 1
1 5 . 19 1 1 A 2 2 ILE N N 2 126.630 118.711 7.919 1
1 6 . 19 1 1 A 3 3 PRO HA H 3 4.360 4.354 0.006 1
1 13 . 19 1 1 A 3 3 PRO CA C 3 60.670 66.232 -5.562 1
1 14 . 19 1 1 A 3 3 PRO CB C 3 29.390 31.361 -1.971 1
1 17 . 19 1 1 A 4 4 GLU H H 4 8.270 8.222 0.048 1
1 18 . 19 1 1 A 4 4 GLU HA H 4 4.360 4.404 -0.044 1
1 23 . 19 1 1 A 4 4 GLU CA C 4 53.690 58.608 -4.918 1
1 24 . 19 1 1 A 4 4 GLU CB C 4 29.430 29.643 -0.213 1
1 26 . 19 1 1 A 4 4 GLU N N 4 119.290 118.147 1.143 1
1 27 . 19 1 1 A 5 5 PHE H H 5 8.810 10.566 -1.756 1
1 28 . 19 1 1 A 5 5 PHE N N 5 126.600 118.946 7.654 1
1 29 . 19 1 1 A 6 6 PHE H H 6 8.070 8.326 -0.256 1
1 30 . 19 1 1 A 6 6 PHE HA H 6 4.650 4.694 -0.044 1
1 33 . 19 1 1 A 6 6 PHE CA C 6 54.920 56.947 -2.027 1
1 34 . 19 1 1 A 6 6 PHE CB C 6 37.190 40.103 -2.913 1
1 35 . 19 1 1 A 6 6 PHE N N 6 120.380 116.237 4.143 1
1 36 . 19 1 1 A 7 7 GLN H H 7 7.980 8.248 -0.268 1
1 37 . 19 1 1 A 7 7 GLN HA H 7 4.430 3.507 0.923 1
1 42 . 19 1 1 A 7 7 GLN CA C 7 54.860 56.823 -1.963 1
1 43 . 19 1 1 A 7 7 GLN CB C 7 26.570 28.348 -1.778 1
1 45 . 19 1 1 A 7 7 GLN N N 7 119.930 119.020 0.910 1
1 46 . 19 1 1 A 8 8 PHE H H 8 8.030 8.008 0.022 1
1 47 . 19 1 1 A 8 8 PHE HA H 8 4.630 4.785 -0.155 1
1 50 . 19 1 1 A 8 8 PHE CA C 8 55.020 59.033 -4.013 1
1 51 . 19 1 1 A 8 8 PHE CB C 8 36.840 41.508 -4.668 1
1 52 . 19 1 1 A 8 8 PHE N N 8 119.560 119.510 0.050 1
1 53 . 19 1 1 A 9 9 THR H H 9 8.040 8.154 -0.114 1
1 54 . 19 1 1 A 9 9 THR HA H 9 4.300 4.395 -0.095 1
1 59 . 19 1 1 A 9 9 THR CA C 9 59.410 63.548 -4.138 1
1 60 . 19 1 1 A 9 9 THR CB C 9 67.440 68.498 -1.058 1
1 62 . 19 1 1 A 9 9 THR N N 9 114.650 113.535 1.115 1
1 63 . 19 1 1 A 10 10 VAL H H 10 8.070 7.844 0.226 1
1 64 . 19 1 1 A 10 10 VAL HA H 10 4.210 3.923 0.287 1
1 72 . 19 1 1 A 10 10 VAL CA C 10 59.470 64.881 -5.411 1
1 73 . 19 1 1 A 10 10 VAL CB C 10 30.180 32.098 -1.918 1
1 75 . 19 1 1 A 10 10 VAL N N 10 120.380 121.852 -1.472 1
1 76 . 19 1 1 A 11 11 GLY H H 11 8.200 7.516 0.684 1
1 77 . 19 1 1 A 11 11 GLY HA2 H 11 4.090 4.033 0.057 1
1 78 . 19 1 1 A 11 11 GLY HA3 H 11 4.000 4.033 -0.033 1
1 79 . 19 1 1 A 11 11 GLY CA C 11 41.420 45.826 -4.406 1
1 80 . 19 1 1 A 11 11 GLY N N 11 110.910 109.390 1.520 1
1 81 . 19 1 1 A 12 12 PRO HA H 12 4.360 4.521 -0.161 1
1 88 . 19 1 1 A 12 12 PRO CA C 12 60.590 62.908 -2.318 1
1 89 . 19 1 1 A 12 12 PRO CB C 12 33.600 30.277 3.323 1
1 92 . 19 1 1 A 13 13 LEU H H 13 8.360 9.480 -1.120 1
1 93 . 19 1 1 A 13 13 LEU HA H 13 4.340 3.895 0.445 1
1 103 . 19 1 1 A 13 13 LEU CA C 13 52.800 55.228 -2.428 1
1 104 . 19 1 1 A 13 13 LEU CB C 13 39.650 39.473 0.177 1
1 108 . 19 1 1 A 13 13 LEU N N 13 120.390 119.155 1.235 1
1 109 . 19 1 1 A 14 14 GLY H H 14 8.240 8.108 0.132 1
1 110 . 19 1 1 A 14 14 GLY HA2 H 14 3.960 3.724 0.236 1
1 111 . 19 1 1 A 14 14 GLY HA3 H 14 3.660 3.766 -0.106 1
1 112 . 19 1 1 A 14 14 GLY CA C 14 40.240 45.080 -4.840 1
1 113 . 19 1 1 A 14 14 GLY N N 14 107.860 108.171 -0.311 1
1 114 . 19 1 1 A 15 15 GLU H H 15 8.250 9.153 -0.903 1
1 115 . 19 1 1 A 15 15 GLU HA H 15 4.360 3.945 0.415 1
1 120 . 19 1 1 A 15 15 GLU CA C 15 53.920 57.561 -3.641 1
1 121 . 19 1 1 A 15 15 GLU CB C 15 27.800 28.840 -1.040 1
1 123 . 19 1 1 A 15 15 GLU N N 15 118.800 119.453 -0.653 1
1 124 . 19 1 1 A 16 16 GLY H H 16 8.460 8.390 0.070 1
1 125 . 19 1 1 A 16 16 GLY HA2 H 16 3.960 4.093 -0.133 1
1 126 . 19 1 1 A 16 16 GLY HA3 H 16 3.880 4.114 -0.234 1
1 127 . 19 1 1 A 16 16 GLY CA C 16 42.490 44.730 -2.240 1
1 128 . 19 1 1 A 16 16 GLY N N 16 108.190 107.120 1.070 1
1 129 . 19 1 1 A 17 17 GLY H H 17 8.300 8.959 -0.659 1
1 130 . 19 1 1 A 17 17 GLY HA2 H 17 4.430 3.991 0.439 1
1 131 . 19 1 1 A 17 17 GLY HA3 H 17 3.780 4.041 -0.261 1
1 132 . 19 1 1 A 17 17 GLY CA C 17 42.550 46.970 -4.420 1
1 133 . 19 1 1 A 17 17 GLY N N 17 105.790 111.076 -5.286 1
1 134 . 19 1 1 A 18 18 ALA H H 18 8.800 8.086 0.714 1
1 135 . 19 1 1 A 18 18 ALA HA H 18 3.760 4.438 -0.678 1
1 139 . 19 1 1 A 18 18 ALA CA C 18 52.780 54.224 -1.444 1
1 140 . 19 1 1 A 18 18 ALA CB C 18 16.810 18.420 -1.610 1
1 141 . 19 1 1 A 18 18 ALA N N 18 120.770 124.221 -3.451 1
1 142 . 19 1 1 A 19 19 HIS H H 19 8.230 7.896 0.334 1
1 143 . 19 1 1 A 19 19 HIS HA H 19 4.410 4.376 0.034 1
1 146 . 19 1 1 A 19 19 HIS CA C 19 54.740 58.248 -3.508 1
1 147 . 19 1 1 A 19 19 HIS CB C 19 26.240 30.839 -4.599 1
1 148 . 19 1 1 A 19 19 HIS N N 19 109.490 118.650 -9.160 1
1 149 . 19 1 1 A 20 20 LYS H H 20 7.570 8.064 -0.494 1
1 150 . 19 1 1 A 20 20 LYS HA H 20 4.170 4.274 -0.104 1
1 159 . 19 1 1 A 20 20 LYS CA C 20 52.100 57.063 -4.963 1
1 160 . 19 1 1 A 20 20 LYS CB C 20 29.850 32.941 -3.091 1
1 164 . 19 1 1 A 20 20 LYS N N 20 115.920 114.964 0.956 1
1 165 . 19 1 1 A 21 21 VAL H H 21 7.460 7.988 -0.528 1
1 166 . 19 1 1 A 21 21 VAL HA H 21 4.270 4.064 0.206 1
1 174 . 19 1 1 A 21 21 VAL CA C 21 60.730 62.625 -1.895 1
1 175 . 19 1 1 A 21 21 VAL CB C 21 29.340 32.014 -2.674 1
1 178 . 19 1 1 A 21 21 VAL N N 21 122.030 121.392 0.638 1
1 179 . 19 1 1 A 22 22 ARG H H 22 7.840 8.829 -0.989 1
1 180 . 19 1 1 A 22 22 ARG HA H 22 5.100 5.177 -0.077 1
1 187 . 19 1 1 A 22 22 ARG CA C 22 51.230 54.604 -3.374 1
1 188 . 19 1 1 A 22 22 ARG CB C 22 31.930 32.330 -0.400 1
1 191 . 19 1 1 A 22 22 ARG N N 22 121.520 130.647 -9.127 1
1 192 . 19 1 1 A 23 23 ALA H H 23 8.920 8.853 0.067 1
1 193 . 19 1 1 A 23 23 ALA HA H 23 5.580 5.435 0.145 1
1 197 . 19 1 1 A 23 23 ALA CA C 23 47.810 51.372 -3.562 1
1 198 . 19 1 1 A 23 23 ALA CB C 23 21.660 21.761 -0.101 1
1 199 . 19 1 1 A 23 23 ALA N N 23 123.300 127.505 -4.205 1
1 200 . 19 1 1 A 24 24 GLY H H 24 8.450 8.252 0.198 1
1 201 . 19 1 1 A 24 24 GLY HA2 H 24 4.200 4.315 -0.115 1
1 202 . 19 1 1 A 24 24 GLY HA3 H 24 4.160 4.324 -0.164 1
1 203 . 19 1 1 A 24 24 GLY CA C 24 43.560 45.325 -1.765 1
1 204 . 19 1 1 A 24 24 GLY N N 24 104.220 109.160 -4.940 1
1 205 . 19 1 1 A 25 25 GLY H H 25 8.770 8.403 0.367 1
1 206 . 19 1 1 A 25 25 GLY HA2 H 25 4.880 4.294 0.586 1
1 207 . 19 1 1 A 25 25 GLY HA3 H 25 4.050 4.373 -0.323 1
1 208 . 19 1 1 A 25 25 GLY CA C 25 42.110 46.017 -3.907 1
1 209 . 19 1 1 A 25 25 GLY N N 25 109.590 110.037 -0.447 1
1 210 . 19 1 1 A 26 26 THR H H 26 8.620 8.759 -0.139 1
1 211 . 19 1 1 A 26 26 THR HA H 26 4.030 4.325 -0.295 1
1 216 . 19 1 1 A 26 26 THR CA C 26 63.280 65.136 -1.856 1
1 217 . 19 1 1 A 26 26 THR CB C 26 65.990 68.945 -2.955 1
1 219 . 19 1 1 A 26 26 THR N N 26 113.050 113.128 -0.078 1
1 220 . 19 1 1 A 27 27 GLY H H 27 9.040 8.142 0.898 1
1 221 . 19 1 1 A 27 27 GLY HA2 H 27 4.270 4.082 0.188 1
1 222 . 19 1 1 A 27 27 GLY HA3 H 27 3.390 4.135 -0.745 1
1 223 . 19 1 1 A 27 27 GLY CA C 27 44.250 46.350 -2.100 1
1 224 . 19 1 1 A 27 27 GLY N N 27 105.190 111.310 -6.120 1
1 225 . 19 1 1 A 28 28 LEU H H 28 7.450 7.731 -0.281 1
1 226 . 19 1 1 A 28 28 LEU HA H 28 4.210 3.732 0.478 1
1 236 . 19 1 1 A 28 28 LEU CA C 28 51.150 54.951 -3.801 1
1 237 . 19 1 1 A 28 28 LEU CB C 28 37.670 41.813 -4.143 1
1 241 . 19 1 1 A 28 28 LEU N N 28 114.980 120.754 -5.774 1
1 242 . 19 1 1 A 29 29 GLU H H 29 7.980 7.762 0.218 1
1 243 . 19 1 1 A 29 29 GLU HA H 29 4.540 4.359 0.181 1
1 248 . 19 1 1 A 29 29 GLU CA C 29 54.910 57.796 -2.886 1
1 249 . 19 1 1 A 29 29 GLU CB C 29 29.430 31.128 -1.698 1
1 251 . 19 1 1 A 29 29 GLU N N 29 117.810 116.573 1.237 1
1 252 . 19 1 1 A 30 30 ARG H H 30 8.340 7.289 1.051 1
1 253 . 19 1 1 A 30 30 ARG HA H 30 4.720 4.598 0.122 1
1 260 . 19 1 1 A 30 30 ARG CA C 30 53.350 55.011 -1.661 1
1 261 . 19 1 1 A 30 30 ARG CB C 30 29.440 31.814 -2.374 1
1 264 . 19 1 1 A 30 30 ARG N N 30 112.890 114.552 -1.662 1
1 265 . 19 1 1 A 31 31 GLY H H 31 8.100 8.003 0.097 1
1 266 . 19 1 1 A 31 31 GLY HA2 H 31 4.540 4.415 0.125 1
1 267 . 19 1 1 A 31 31 GLY HA3 H 31 3.610 4.445 -0.835 1
1 268 . 19 1 1 A 31 31 GLY CA C 31 41.630 45.479 -3.849 1
1 269 . 19 1 1 A 31 31 GLY N N 31 103.670 106.355 -2.685 1
1 270 . 19 1 1 A 32 32 VAL H H 32 9.410 8.441 0.969 1
1 271 . 19 1 1 A 32 32 VAL HA H 32 4.450 5.091 -0.641 1
1 279 . 19 1 1 A 32 32 VAL CA C 32 58.730 59.964 -1.234 1
1 280 . 19 1 1 A 32 32 VAL CB C 32 32.560 35.775 -3.215 1
1 283 . 19 1 1 A 32 32 VAL N N 32 122.160 120.327 1.833 1
1 284 . 19 1 1 A 33 33 ALA H H 33 8.560 8.516 0.044 1
1 285 . 19 1 1 A 33 33 ALA HA H 33 3.620 3.981 -0.361 1
1 289 . 19 1 1 A 33 33 ALA CA C 33 50.860 53.971 -3.111 1
1 290 . 19 1 1 A 33 33 ALA CB C 33 14.450 18.570 -4.120 1
1 291 . 19 1 1 A 33 33 ALA N N 33 129.490 128.867 0.623 1
1 292 . 19 1 1 A 34 34 GLY H H 34 8.590 8.831 -0.241 1
1 293 . 19 1 1 A 34 34 GLY HA2 H 34 4.320 3.884 0.436 1
1 294 . 19 1 1 A 34 34 GLY HA3 H 34 3.420 3.890 -0.470 1
1 295 . 19 1 1 A 34 34 GLY CA C 34 42.710 47.127 -4.417 1
1 296 . 19 1 1 A 34 34 GLY N N 34 106.900 111.848 -4.948 1
1 297 . 19 1 1 A 35 35 VAL H H 35 7.840 7.517 0.323 1
1 298 . 19 1 1 A 35 35 VAL HA H 35 4.450 4.421 0.029 1
1 306 . 19 1 1 A 35 35 VAL CA C 35 56.660 59.109 -2.449 1
1 307 . 19 1 1 A 35 35 VAL CB C 35 32.030 33.403 -1.373 1
1 310 . 19 1 1 A 35 35 VAL N N 35 121.520 119.490 2.030 1
1 311 . 19 1 1 A 36 36 PRO HA H 36 4.260 4.415 -0.155 1
1 318 . 19 1 1 A 36 36 PRO CA C 36 60.720 62.715 -1.995 1
1 319 . 19 1 1 A 36 36 PRO CB C 36 28.760 32.558 -3.798 1
1 322 . 19 1 1 A 37 37 ALA H H 37 8.920 7.539 1.381 1
1 323 . 19 1 1 A 37 37 ALA HA H 37 4.490 4.799 -0.309 1
1 327 . 19 1 1 A 37 37 ALA CA C 37 47.550 50.791 -3.241 1
1 328 . 19 1 1 A 37 37 ALA CB C 37 17.110 22.904 -5.794 1
1 329 . 19 1 1 A 37 37 ALA N N 37 129.160 120.060 9.100 1
1 330 . 19 1 1 A 38 38 GLU H H 38 8.470 9.011 -0.541 1
1 331 . 19 1 1 A 38 38 GLU HA H 38 4.330 5.542 -1.212 1
1 336 . 19 1 1 A 38 38 GLU CA C 38 52.150 55.698 -3.548 1
1 337 . 19 1 1 A 38 38 GLU CB C 38 31.010 33.093 -2.083 1
1 339 . 19 1 1 A 38 38 GLU N N 38 117.150 115.237 1.913 1
1 340 . 19 1 1 A 39 39 PHE H H 39 8.870 8.314 0.556 1
1 341 . 19 1 1 A 39 39 PHE HA H 39 4.520 5.402 -0.882 1
1 344 . 19 1 1 A 39 39 PHE CA C 39 54.670 55.762 -1.092 1
1 345 . 19 1 1 A 39 39 PHE CB C 39 37.170 41.196 -4.026 1
1 346 . 19 1 1 A 39 39 PHE N N 39 115.740 117.984 -2.244 1
1 347 . 19 1 1 A 40 40 SER H H 40 8.870 8.452 0.418 1
1 348 . 19 1 1 A 40 40 SER HA H 40 5.420 5.310 0.110 1
1 351 . 19 1 1 A 40 40 SER CA C 40 54.890 57.288 -2.398 1
1 352 . 19 1 1 A 40 40 SER CB C 40 63.790 65.660 -1.870 1
1 353 . 19 1 1 A 40 40 SER N N 40 113.140 115.884 -2.744 1
1 354 . 19 1 1 A 41 41 ILE H H 41 8.410 8.757 -0.347 1
1 355 . 19 1 1 A 41 41 ILE HA H 41 4.670 4.979 -0.309 1
1 365 . 19 1 1 A 41 41 ILE CA C 41 57.640 60.941 -3.301 1
1 366 . 19 1 1 A 41 41 ILE CB C 41 38.260 39.864 -1.604 1
1 370 . 19 1 1 A 41 41 ILE N N 41 118.020 123.218 -5.198 1
1 371 . 19 1 1 A 42 42 TRP H H 42 9.580 8.763 0.817 1
1 372 . 19 1 1 A 42 42 TRP HA H 42 4.870 5.092 -0.222 1
1 375 . 19 1 1 A 42 42 TRP CA C 42 56.240 57.240 -1.000 1
1 376 . 19 1 1 A 42 42 TRP CB C 42 27.690 30.988 -3.298 1
1 377 . 19 1 1 A 42 42 TRP N N 42 126.430 130.845 -4.415 1
1 378 . 19 1 1 A 43 43 THR H H 43 8.370 8.100 0.270 1
1 379 . 19 1 1 A 43 43 THR HA H 43 3.800 4.503 -0.703 1
1 384 . 19 1 1 A 43 43 THR CA C 43 59.210 61.363 -2.153 1
1 385 . 19 1 1 A 43 43 THR CB C 43 67.070 70.925 -3.855 1
1 387 . 19 1 1 A 43 43 THR N N 43 112.460 120.002 -7.542 1
1 388 . 19 1 1 A 44 44 ARG HA H 44 3.910 4.338 -0.428 1
1 395 . 19 1 1 A 44 44 ARG CA C 44 57.190 55.929 1.261 1
1 396 . 19 1 1 A 44 44 ARG CB C 44 27.710 31.981 -4.271 1
1 399 . 19 1 1 A 45 45 GLU H H 45 8.260 7.936 0.324 1
1 400 . 19 1 1 A 45 45 GLU HA H 45 4.160 4.091 0.069 1
1 405 . 19 1 1 A 45 45 GLU CA C 45 54.510 59.423 -4.913 1
1 406 . 19 1 1 A 45 45 GLU CB C 45 27.510 29.474 -1.964 1
1 408 . 19 1 1 A 45 45 GLU N N 45 113.080 120.280 -7.200 1
1 409 . 19 1 1 A 46 46 ALA H H 46 7.550 7.847 -0.297 1
1 410 . 19 1 1 A 46 46 ALA HA H 46 3.870 4.163 -0.293 1
1 414 . 19 1 1 A 46 46 ALA CA C 46 50.350 54.403 -4.053 1
1 415 . 19 1 1 A 46 46 ALA CB C 46 18.120 19.747 -1.627 1
1 416 . 19 1 1 A 46 46 ALA N N 46 119.560 121.956 -2.396 1
1 417 . 19 1 1 A 47 47 GLY H H 47 7.450 7.387 0.063 1
1 418 . 19 1 1 A 47 47 GLY HA2 H 47 4.180 4.144 0.036 1
1 419 . 19 1 1 A 47 47 GLY HA3 H 47 3.630 4.191 -0.561 1
1 420 . 19 1 1 A 47 47 GLY CA C 47 41.940 44.569 -2.629 1
1 421 . 19 1 1 A 47 47 GLY N N 47 102.870 103.192 -0.322 1
1 422 . 19 1 1 A 48 48 ALA H H 48 8.220 8.247 -0.027 1
1 423 . 19 1 1 A 48 48 ALA HA H 48 4.290 4.879 -0.589 1
1 427 . 19 1 1 A 48 48 ALA CA C 48 49.360 51.552 -2.192 1
1 428 . 19 1 1 A 48 48 ALA CB C 48 16.590 20.080 -3.490 1
1 429 . 19 1 1 A 48 48 ALA N N 48 120.390 123.685 -3.295 1
1 430 . 19 1 1 A 49 49 GLY H H 49 8.000 8.453 -0.453 1
1 431 . 19 1 1 A 49 49 GLY HA2 H 49 3.720 3.753 -0.033 1
1 432 . 19 1 1 A 49 49 GLY HA3 H 49 3.720 4.139 -0.419 1
1 433 . 19 1 1 A 49 49 GLY CA C 49 43.000 45.852 -2.852 1
1 434 . 19 1 1 A 49 49 GLY N N 49 106.720 106.791 -0.071 1
1 435 . 19 1 1 A 50 50 GLY H H 50 7.580 7.768 -0.188 1
1 436 . 19 1 1 A 50 50 GLY N N 50 104.780 110.862 -6.082 1
1 437 . 19 1 1 A 51 51 LEU HA H 51 5.300 5.210 0.090 1
1 444 . 19 1 1 A 51 51 LEU CA C 51 50.270 54.405 -4.135 1
1 445 . 19 1 1 A 51 51 LEU CB C 51 42.930 45.226 -2.296 1
1 448 . 19 1 1 A 52 52 SER H H 52 9.110 8.548 0.562 1
1 449 . 19 1 1 A 52 52 SER HA H 52 5.180 4.998 0.182 1
1 452 . 19 1 1 A 52 52 SER CA C 52 53.700 58.498 -4.798 1
1 453 . 19 1 1 A 52 52 SER CB C 52 63.000 64.361 -1.361 1
1 454 . 19 1 1 A 52 52 SER N N 52 117.210 124.386 -7.176 1
1 455 . 19 1 1 A 53 53 ILE H H 53 8.330 8.791 -0.461 1
1 456 . 19 1 1 A 53 53 ILE HA H 53 4.930 4.888 0.042 1
1 466 . 19 1 1 A 53 53 ILE CA C 53 57.220 60.879 -3.659 1
1 467 . 19 1 1 A 53 53 ILE CB C 53 37.710 40.231 -2.521 1
1 471 . 19 1 1 A 53 53 ILE N N 53 124.030 124.618 -0.588 1
1 472 . 19 1 1 A 54 54 ALA H H 54 8.920 8.609 0.311 1
1 473 . 19 1 1 A 54 54 ALA HA H 54 5.390 4.906 0.484 1
1 477 . 19 1 1 A 54 54 ALA CA C 54 47.440 50.617 -3.177 1
1 478 . 19 1 1 A 54 54 ALA CB C 54 19.810 20.391 -0.581 1
1 479 . 19 1 1 A 54 54 ALA N N 54 126.530 131.081 -4.551 1
1 480 . 19 1 1 A 55 55 VAL H H 55 9.010 8.791 0.219 1
1 481 . 19 1 1 A 55 55 VAL HA H 55 4.830 5.109 -0.279 1
1 489 . 19 1 1 A 55 55 VAL CA C 55 58.430 60.445 -2.015 1
1 490 . 19 1 1 A 55 55 VAL CB C 55 31.020 33.507 -2.487 1
1 493 . 19 1 1 A 55 55 VAL N N 55 119.590 119.525 0.065 1
1 494 . 19 1 1 A 56 56 GLU H H 56 9.270 8.952 0.318 1
1 495 . 19 1 1 A 56 56 GLU HA H 56 4.690 5.314 -0.624 1
1 500 . 19 1 1 A 56 56 GLU CA C 56 52.000 55.300 -3.300 1
1 501 . 19 1 1 A 56 56 GLU CB C 56 31.050 33.831 -2.781 1
1 503 . 19 1 1 A 56 56 GLU N N 56 127.360 124.365 2.995 1
1 504 . 19 1 1 A 57 57 GLY H H 57 8.620 8.338 0.282 1
1 505 . 19 1 1 A 57 57 GLY N N 57 108.540 111.624 -3.084 1
1 506 . 19 1 1 A 58 58 PRO HA H 58 4.480 4.329 0.151 1
1 513 . 19 1 1 A 58 58 PRO CA C 58 61.850 64.378 -2.528 1
1 514 . 19 1 1 A 58 58 PRO CB C 58 29.820 32.117 -2.297 1
1 517 . 19 1 1 A 59 59 SER H H 59 7.200 7.454 -0.254 1
1 518 . 19 1 1 A 59 59 SER HA H 59 4.620 4.807 -0.187 1
1 521 . 19 1 1 A 59 59 SER CA C 59 55.050 56.523 -1.473 1
1 522 . 19 1 1 A 59 59 SER CB C 59 63.650 65.786 -2.136 1
1 523 . 19 1 1 A 59 59 SER N N 59 106.970 111.246 -4.276 1
1 524 . 19 1 1 A 60 60 LYS H H 60 8.570 8.359 0.211 1
1 525 . 19 1 1 A 60 60 LYS HA H 60 4.000 4.686 -0.686 1
1 534 . 19 1 1 A 60 60 LYS CA C 60 54.090 55.658 -1.568 1
1 535 . 19 1 1 A 60 60 LYS CB C 60 30.480 32.129 -1.649 1
1 539 . 19 1 1 A 60 60 LYS N N 60 118.890 122.662 -3.772 1
1 540 . 19 1 1 A 61 61 ALA H H 61 8.830 8.065 0.765 1
1 541 . 19 1 1 A 61 61 ALA HA H 61 4.930 4.611 0.319 1
1 545 . 19 1 1 A 61 61 ALA CA C 61 47.980 52.881 -4.901 1
1 546 . 19 1 1 A 61 61 ALA CB C 61 17.500 18.773 -1.273 1
1 547 . 19 1 1 A 61 61 ALA N N 61 127.130 128.116 -0.986 1
1 548 . 19 1 1 A 62 62 GLU H H 62 8.440 8.448 -0.008 1
1 549 . 19 1 1 A 62 62 GLU HA H 62 4.610 4.471 0.139 1
1 554 . 19 1 1 A 62 62 GLU CA C 62 52.800 56.296 -3.496 1
1 555 . 19 1 1 A 62 62 GLU CB C 62 27.620 30.737 -3.117 1
1 557 . 19 1 1 A 62 62 GLU N N 62 121.980 125.078 -3.098 1
1 558 . 19 1 1 A 63 63 ILE H H 63 8.710 8.615 0.095 1
1 559 . 19 1 1 A 63 63 ILE HA H 63 4.710 5.228 -0.518 1
1 569 . 19 1 1 A 63 63 ILE CA C 63 58.480 59.836 -1.356 1
1 570 . 19 1 1 A 63 63 ILE CB C 63 37.820 42.459 -4.639 1
1 574 . 19 1 1 A 63 63 ILE N N 63 125.400 124.602 0.798 1
1 575 . 19 1 1 A 64 64 ALA H H 64 9.350 8.751 0.599 1
1 576 . 19 1 1 A 64 64 ALA HA H 64 5.400 5.180 0.220 1
1 580 . 19 1 1 A 64 64 ALA CA C 64 47.440 51.043 -3.603 1
1 581 . 19 1 1 A 64 64 ALA CB C 64 19.750 24.344 -4.594 1
1 582 . 19 1 1 A 64 64 ALA N N 64 130.180 124.991 5.189 1
1 583 . 19 1 1 A 65 65 PHE H H 65 8.120 8.504 -0.384 1
1 584 . 19 1 1 A 65 65 PHE HA H 65 5.410 5.441 -0.031 1
1 587 . 19 1 1 A 65 65 PHE CA C 65 53.210 55.824 -2.614 1
1 588 . 19 1 1 A 65 65 PHE CB C 65 40.490 41.961 -1.471 1
1 589 . 19 1 1 A 65 65 PHE N N 65 115.800 115.135 0.665 1
1 590 . 19 1 1 A 66 66 GLU H H 66 8.360 8.592 -0.232 1
1 591 . 19 1 1 A 66 66 GLU HA H 66 4.700 4.694 0.006 1
1 596 . 19 1 1 A 66 66 GLU CA C 66 52.100 55.173 -3.073 1
1 597 . 19 1 1 A 66 66 GLU CB C 66 30.280 32.265 -1.985 1
1 599 . 19 1 1 A 66 66 GLU N N 66 120.390 122.921 -2.531 1
1 600 . 19 1 1 A 67 67 ASP H H 67 8.880 8.941 -0.061 1
1 601 . 19 1 1 A 67 67 ASP HA H 67 5.120 4.736 0.384 1
1 604 . 19 1 1 A 67 67 ASP CA C 67 51.070 53.758 -2.688 1
1 605 . 19 1 1 A 67 67 ASP CB C 67 38.310 40.018 -1.708 1
1 606 . 19 1 1 A 67 67 ASP N N 67 124.860 126.593 -1.733 1
1 607 . 19 1 1 A 68 68 ARG H H 68 8.330 8.577 -0.247 1
1 608 . 19 1 1 A 68 68 ARG HA H 68 4.170 4.371 -0.201 1
1 613 . 19 1 1 A 68 68 ARG CA C 68 54.170 57.901 -3.731 1
1 614 . 19 1 1 A 68 68 ARG CB C 68 27.740 30.547 -2.807 1
1 615 . 19 1 1 A 68 68 ARG N N 68 125.010 125.876 -0.866 1
1 616 . 19 1 1 A 69 69 LYS H H 69 7.980 7.658 0.322 1
1 617 . 19 1 1 A 69 69 LYS HA H 69 4.030 4.486 -0.456 1
1 626 . 19 1 1 A 69 69 LYS CA C 69 55.530 55.179 0.351 1
1 627 . 19 1 1 A 69 69 LYS CB C 69 26.220 33.468 -7.248 1
1 631 . 19 1 1 A 69 69 LYS N N 69 118.110 116.828 1.282 1
1 632 . 19 1 1 A 70 70 ASP H H 70 7.930 8.349 -0.419 1
1 633 . 19 1 1 A 70 70 ASP HA H 70 4.330 4.341 -0.011 1
1 636 . 19 1 1 A 70 70 ASP CA C 70 52.540 55.566 -3.026 1
1 637 . 19 1 1 A 70 70 ASP CB C 70 40.020 40.457 -0.437 1
1 638 . 19 1 1 A 70 70 ASP N N 70 116.380 118.484 -2.104 1
1 639 . 19 1 1 A 71 71 GLY H H 71 9.080 8.266 0.814 1
1 640 . 19 1 1 A 71 71 GLY HA2 H 71 4.200 3.959 0.241 1
1 641 . 19 1 1 A 71 71 GLY HA3 H 71 3.630 4.268 -0.638 1
1 642 . 19 1 1 A 71 71 GLY CA C 71 42.480 45.494 -3.014 1
1 643 . 19 1 1 A 71 71 GLY N N 71 108.240 107.169 1.071 1
1 644 . 19 1 1 A 72 72 SER H H 72 8.400 7.877 0.523 1
1 645 . 19 1 1 A 72 72 SER HA H 72 5.470 4.732 0.738 1
1 648 . 19 1 1 A 72 72 SER CA C 72 54.440 57.352 -2.912 1
1 649 . 19 1 1 A 72 72 SER CB C 72 65.130 64.198 0.932 1
1 650 . 19 1 1 A 72 72 SER N N 72 116.980 113.839 3.141 1
1 651 . 19 1 1 A 73 73 CYS H H 73 8.810 8.423 0.387 1
1 652 . 19 1 1 A 73 73 CYS HA H 73 5.210 4.749 0.461 1
1 655 . 19 1 1 A 73 73 CYS CA C 73 53.240 58.042 -4.802 1
1 656 . 19 1 1 A 73 73 CYS CB C 73 28.520 27.482 1.038 1
1 657 . 19 1 1 A 73 73 CYS N N 73 114.140 125.376 -11.236 1
1 658 . 19 1 1 A 74 74 GLY H H 74 8.880 8.948 -0.068 1
1 659 . 19 1 1 A 74 74 GLY HA2 H 74 4.540 3.975 0.565 1
1 660 . 19 1 1 A 74 74 GLY HA3 H 74 3.610 4.031 -0.421 1
1 661 . 19 1 1 A 74 74 GLY CA C 74 41.630 44.939 -3.309 1
1 662 . 19 1 1 A 74 74 GLY N N 74 110.010 114.051 -4.041 1
1 663 . 19 1 1 A 75 75 VAL H H 75 8.480 8.487 -0.007 1
1 664 . 19 1 1 A 75 75 VAL HA H 75 4.550 4.771 -0.221 1
1 672 . 19 1 1 A 75 75 VAL CA C 75 57.860 61.149 -3.289 1
1 673 . 19 1 1 A 75 75 VAL CB C 75 30.530 31.839 -1.309 1
1 676 . 19 1 1 A 75 75 VAL N N 75 122.510 126.363 -3.853 1
1 677 . 19 1 1 A 76 76 SER H H 76 8.700 8.707 -0.007 1
1 678 . 19 1 1 A 76 76 SER HA H 76 5.540 5.143 0.397 1
1 681 . 19 1 1 A 76 76 SER CA C 76 53.360 57.425 -4.065 1
1 682 . 19 1 1 A 76 76 SER CB C 76 63.190 65.376 -2.186 1
1 683 . 19 1 1 A 76 76 SER N N 76 118.910 123.019 -4.109 1
1 684 . 19 1 1 A 77 77 TYR H H 77 8.960 8.309 0.651 1
1 685 . 19 1 1 A 77 77 TYR HA H 77 4.420 5.581 -1.161 1
1 688 . 19 1 1 A 77 77 TYR CA C 77 52.780 56.173 -3.393 1
1 689 . 19 1 1 A 77 77 TYR CB C 77 39.950 40.804 -0.854 1
1 690 . 19 1 1 A 77 77 TYR N N 77 118.060 117.316 0.744 1
1 691 . 19 1 1 A 78 78 VAL H H 78 8.160 8.339 -0.179 1
1 692 . 19 1 1 A 78 78 VAL HA H 78 4.320 4.459 -0.139 1
1 700 . 19 1 1 A 78 78 VAL CA C 78 57.510 60.094 -2.584 1
1 701 . 19 1 1 A 78 78 VAL CB C 78 32.620 34.855 -2.235 1
1 704 . 19 1 1 A 78 78 VAL N N 78 116.800 121.088 -4.288 1
1 705 . 19 1 1 A 79 79 VAL H H 79 8.730 8.595 0.135 1
1 706 . 19 1 1 A 79 79 VAL HA H 79 4.760 4.656 0.104 1
1 714 . 19 1 1 A 79 79 VAL CA C 79 55.750 60.642 -4.892 1
1 715 . 19 1 1 A 79 79 VAL CB C 79 30.530 33.719 -3.189 1
1 718 . 19 1 1 A 79 79 VAL N N 79 119.730 124.750 -5.020 1
1 719 . 19 1 1 A 80 80 GLN H H 80 8.030 9.100 -1.070 1
1 720 . 19 1 1 A 80 80 GLN HA H 80 4.240 4.369 -0.129 1
1 725 . 19 1 1 A 80 80 GLN CA C 80 53.910 57.136 -3.226 1
1 726 . 19 1 1 A 80 80 GLN CB C 80 27.130 30.406 -3.276 1
1 728 . 19 1 1 A 80 80 GLN N N 80 116.150 123.471 -7.321 1
1 729 . 19 1 1 A 81 81 GLU H H 81 7.070 7.919 -0.849 1
1 730 . 19 1 1 A 81 81 GLU HA H 81 5.010 4.918 0.092 1
1 735 . 19 1 1 A 81 81 GLU CA C 81 49.600 54.488 -4.888 1
1 736 . 19 1 1 A 81 81 GLU CB C 81 29.410 32.306 -2.896 1
1 738 . 19 1 1 A 81 81 GLU N N 81 113.990 114.324 -0.334 1
1 739 . 19 1 1 A 82 82 PRO HA H 82 5.040 4.378 0.662 1
1 746 . 19 1 1 A 82 82 PRO CA C 82 59.910 63.708 -3.798 1
1 747 . 19 1 1 A 82 82 PRO CB C 82 29.280 32.161 -2.881 1
1 750 . 19 1 1 A 83 83 GLY H H 83 8.840 7.761 1.079 1
1 751 . 19 1 1 A 83 83 GLY CA C 83 41.780 44.878 -3.098 1
1 752 . 19 1 1 A 83 83 GLY N N 83 104.910 107.718 -2.808 1
1 753 . 19 1 1 A 84 84 ASP H H 84 8.250 8.477 -0.227 1
1 754 . 19 1 1 A 84 84 ASP HA H 84 5.260 5.001 0.259 1
1 757 . 19 1 1 A 84 84 ASP CA C 84 51.540 53.613 -2.073 1
1 758 . 19 1 1 A 84 84 ASP CB C 84 38.700 40.187 -1.487 1
1 759 . 19 1 1 A 84 84 ASP N N 84 118.800 120.747 -1.947 1
1 760 . 19 1 1 A 85 85 TYR H H 85 8.810 8.578 0.232 1
1 761 . 19 1 1 A 85 85 TYR HA H 85 3.970 4.902 -0.932 1
1 764 . 19 1 1 A 85 85 TYR CA C 85 53.930 58.370 -4.440 1
1 765 . 19 1 1 A 85 85 TYR CB C 85 37.760 39.551 -1.791 1
1 766 . 19 1 1 A 85 85 TYR N N 85 121.630 124.738 -3.108 1
1 767 . 19 1 1 A 86 86 GLU H H 86 9.320 9.211 0.109 1
1 768 . 19 1 1 A 86 86 GLU HA H 86 5.260 5.495 -0.235 1
1 773 . 19 1 1 A 86 86 GLU CA C 86 52.350 54.837 -2.487 1
1 774 . 19 1 1 A 86 86 GLU CB C 86 30.070 32.620 -2.550 1
1 776 . 19 1 1 A 86 86 GLU N N 86 120.420 119.907 0.513 1
1 777 . 19 1 1 A 87 87 VAL H H 87 9.810 8.791 1.019 1
1 778 . 19 1 1 A 87 87 VAL HA H 87 4.990 5.446 -0.456 1
1 786 . 19 1 1 A 87 87 VAL CA C 87 58.590 59.413 -0.823 1
1 787 . 19 1 1 A 87 87 VAL CB C 87 30.210 35.194 -4.984 1
1 790 . 19 1 1 A 87 87 VAL N N 87 129.200 124.463 4.737 1
1 791 . 19 1 1 A 88 88 SER H H 88 9.560 8.768 0.792 1
1 792 . 19 1 1 A 88 88 SER HA H 88 5.170 5.695 -0.525 1
1 795 . 19 1 1 A 88 88 SER CA C 88 55.170 56.810 -1.640 1
1 796 . 19 1 1 A 88 88 SER CB C 88 62.790 64.864 -2.074 1
1 797 . 19 1 1 A 88 88 SER N N 88 121.730 122.002 -0.272 1
1 798 . 19 1 1 A 89 89 ILE H H 89 9.570 9.151 0.419 1
1 799 . 19 1 1 A 89 89 ILE HA H 89 4.920 5.431 -0.511 1
1 809 . 19 1 1 A 89 89 ILE CA C 89 57.020 59.317 -2.297 1
1 810 . 19 1 1 A 89 89 ILE CB C 89 38.120 39.993 -1.873 1
1 814 . 19 1 1 A 89 89 ILE N N 89 125.650 122.332 3.318 1
1 815 . 19 1 1 A 90 90 LYS H H 90 8.760 8.688 0.072 1
1 816 . 19 1 1 A 90 90 LYS HA H 90 5.130 5.353 -0.223 1
1 825 . 19 1 1 A 90 90 LYS CA C 90 50.980 54.578 -3.598 1
1 826 . 19 1 1 A 90 90 LYS CB C 90 33.850 35.498 -1.648 1
1 830 . 19 1 1 A 90 90 LYS N N 90 122.170 124.821 -2.651 1
1 831 . 19 1 1 A 91 91 PHE H H 91 9.040 8.370 0.670 1
1 832 . 19 1 1 A 91 91 PHE HA H 91 5.330 4.916 0.414 1
1 835 . 19 1 1 A 91 91 PHE CA C 91 53.190 57.736 -4.546 1
1 836 . 19 1 1 A 91 91 PHE CB C 91 40.200 39.670 0.530 1
1 837 . 19 1 1 A 91 91 PHE N N 91 120.990 125.615 -4.625 1
1 838 . 19 1 1 A 92 92 ASN H H 92 9.210 9.822 -0.612 1
1 839 . 19 1 1 A 92 92 ASN HA H 92 4.220 4.194 0.026 1
1 842 . 19 1 1 A 92 92 ASN CA C 92 51.480 53.709 -2.229 1
1 843 . 19 1 1 A 92 92 ASN CB C 92 33.610 35.623 -2.013 1
1 844 . 19 1 1 A 92 92 ASN N N 92 127.010 124.094 2.916 1
1 845 . 19 1 1 A 93 93 ASP H H 93 8.760 8.500 0.260 1
1 846 . 19 1 1 A 93 93 ASP HA H 93 3.970 4.305 -0.335 1
1 849 . 19 1 1 A 93 93 ASP CA C 93 53.920 55.856 -1.936 1
1 850 . 19 1 1 A 93 93 ASP CB C 93 38.060 39.134 -1.074 1
1 851 . 19 1 1 A 93 93 ASP N N 93 107.220 112.029 -4.809 1
1 852 . 19 1 1 A 94 94 GLU H H 94 7.500 8.013 -0.513 1
1 853 . 19 1 1 A 94 94 GLU HA H 94 4.700 4.697 0.003 1
1 857 . 19 1 1 A 94 94 GLU CA C 94 51.940 55.328 -3.388 1
1 858 . 19 1 1 A 94 94 GLU CB C 94 29.680 30.158 -0.478 1
1 860 . 19 1 1 A 94 94 GLU N N 94 117.830 117.427 0.403 1
1 861 . 19 1 1 A 95 95 HIS H H 95 8.770 8.933 -0.163 1
1 862 . 19 1 1 A 95 95 HIS HA H 95 4.480 4.683 -0.203 1
1 865 . 19 1 1 A 95 95 HIS CA C 95 56.530 55.658 0.872 1
1 866 . 19 1 1 A 95 95 HIS CB C 95 29.690 29.798 -0.108 1
1 867 . 19 1 1 A 95 95 HIS N N 95 121.910 121.738 0.172 1
1 868 . 19 1 1 A 96 96 ILE H H 96 8.110 8.426 -0.316 1
1 869 . 19 1 1 A 96 96 ILE HA H 96 4.310 4.225 0.085 1
1 871 . 19 1 1 A 96 96 ILE CA C 96 57.520 60.002 -2.482 1
1 872 . 19 1 1 A 96 96 ILE CB C 96 32.720 37.705 -4.985 1
1 873 . 19 1 1 A 96 96 ILE N N 96 116.370 122.148 -5.778 1
1 874 . 19 1 1 A 97 97 PRO CA C 97 63.500 62.362 1.138 1
1 875 . 19 1 1 A 97 97 PRO CB C 97 28.690 29.531 -0.841 1
1 878 . 19 1 1 A 98 98 ASP H H 98 7.940 8.775 -0.835 1
1 879 . 19 1 1 A 98 98 ASP HA H 98 5.010 4.424 0.586 1
1 882 . 19 1 1 A 98 98 ASP CA C 98 54.510 54.250 0.260 1
1 883 . 19 1 1 A 98 98 ASP CB C 98 37.760 43.621 -5.861 1
1 884 . 19 1 1 A 98 98 ASP N N 98 113.440 122.409 -8.969 1
1 885 . 19 1 1 A 99 99 SER H H 99 7.470 7.878 -0.408 1
1 886 . 19 1 1 A 99 99 SER HA H 99 4.230 4.597 -0.367 1
1 889 . 19 1 1 A 99 99 SER CA C 99 52.370 57.189 -4.819 1
1 890 . 19 1 1 A 99 99 SER CB C 99 60.430 63.823 -3.393 1
1 891 . 19 1 1 A 99 99 SER N N 99 110.680 116.599 -5.919 1
1 892 . 19 1 1 A 100 100 PRO HA H 100 4.550 4.914 -0.364 1
1 899 . 19 1 1 A 100 100 PRO CA C 100 59.920 62.649 -2.729 1
1 900 . 19 1 1 A 100 100 PRO CB C 100 31.880 32.007 -0.127 1
1 903 . 19 1 1 A 101 101 PHE H H 101 9.270 8.583 0.687 1
1 904 . 19 1 1 A 101 101 PHE HA H 101 4.560 4.867 -0.307 1
1 907 . 19 1 1 A 101 101 PHE CA C 101 54.060 58.011 -3.951 1
1 908 . 19 1 1 A 101 101 PHE CB C 101 37.930 39.651 -1.721 1
1 909 . 19 1 1 A 101 101 PHE N N 101 119.180 122.636 -3.456 1
1 910 . 19 1 1 A 102 102 VAL H H 102 8.760 8.927 -0.167 1
1 911 . 19 1 1 A 102 102 VAL HA H 102 4.580 5.330 -0.750 1
1 919 . 19 1 1 A 102 102 VAL CA C 102 60.400 60.042 0.358 1
1 920 . 19 1 1 A 102 102 VAL CB C 102 28.970 34.574 -5.604 1
1 923 . 19 1 1 A 102 102 VAL N N 102 123.120 121.345 1.775 1
1 924 . 19 1 1 A 103 103 VAL H H 103 9.520 9.166 0.354 1
1 925 . 19 1 1 A 103 103 VAL HA H 103 4.390 4.699 -0.309 1
1 933 . 19 1 1 A 103 103 VAL CA C 103 57.200 59.225 -2.025 1
1 934 . 19 1 1 A 103 103 VAL CB C 103 32.060 32.907 -0.847 1
1 937 . 19 1 1 A 103 103 VAL N N 103 130.330 128.648 1.682 1
1 938 . 19 1 1 A 104 104 PRO HA H 104 4.370 4.733 -0.363 1
1 941 . 19 1 1 A 104 104 PRO CA C 104 60.240 62.602 -2.362 1
1 942 . 19 1 1 A 104 104 PRO CB C 104 29.660 31.779 -2.119 1
1 945 . 19 1 1 A 105 105 VAL H H 105 9.300 8.419 0.881 1
1 946 . 19 1 1 A 105 105 VAL HA H 105 4.300 4.670 -0.370 1
1 954 . 19 1 1 A 105 105 VAL CA C 105 59.210 61.900 -2.690 1
1 955 . 19 1 1 A 105 105 VAL CB C 105 28.840 32.367 -3.527 1
1 958 . 19 1 1 A 105 105 VAL N N 105 126.320 124.294 2.026 1
1 959 . 19 1 1 A 106 106 ALA H H 106 8.360 9.341 -0.981 1
1 960 . 19 1 1 A 106 106 ALA HA H 106 4.660 5.256 -0.596 1
1 964 . 19 1 1 A 106 106 ALA CA C 106 48.340 50.501 -2.161 1
1 965 . 19 1 1 A 106 106 ALA CB C 106 18.960 22.292 -3.332 1
1 966 . 19 1 1 A 106 106 ALA N N 106 130.550 128.866 1.684 1
1 967 . 19 1 1 A 107 107 SER H H 107 8.590 8.578 0.012 1
1 968 . 19 1 1 A 107 107 SER HA H 107 4.490 5.035 -0.545 1
1 971 . 19 1 1 A 107 107 SER CA C 107 55.570 56.958 -1.388 1
1 972 . 19 1 1 A 107 107 SER CB C 107 61.760 63.825 -2.065 1
1 973 . 19 1 1 A 107 107 SER N N 107 112.340 115.154 -2.814 1
1 974 . 19 1 1 A 108 108 LEU H H 108 8.660 8.834 -0.174 1
1 975 . 19 1 1 A 108 108 LEU HA H 108 4.300 3.953 0.347 1
1 985 . 19 1 1 A 108 108 LEU CA C 108 53.250 56.587 -3.337 1
1 986 . 19 1 1 A 108 108 LEU CB C 108 39.650 40.069 -0.419 1
1 990 . 19 1 1 A 108 108 LEU N N 108 123.200 120.918 2.282 1
1 991 . 19 1 1 A 109 109 SER H H 109 8.210 8.074 0.136 1
1 992 . 19 1 1 A 109 109 SER HA H 109 4.370 4.479 -0.109 1
1 995 . 19 1 1 A 109 109 SER CA C 109 55.810 60.295 -4.485 1
1 996 . 19 1 1 A 109 109 SER CB C 109 61.240 64.013 -2.773 1
1 997 . 19 1 1 A 109 109 SER N N 109 114.710 113.491 1.219 1
1 998 . 19 1 1 A 110 110 ASP H H 110 8.240 8.091 0.149 1
1 999 . 19 1 1 A 110 110 ASP HA H 110 4.500 4.372 0.128 1
1 1002 . 19 1 1 A 110 110 ASP CA C 110 52.740 55.532 -2.792 1
1 1003 . 19 1 1 A 110 110 ASP CB C 110 38.260 39.512 -1.252 1
1 1004 . 19 1 1 A 110 110 ASP N N 110 121.030 119.121 1.909 1
1 1005 . 19 1 1 A 111 111 ASP H H 111 8.210 8.066 0.144 1
1 1006 . 19 1 1 A 111 111 ASP HA H 111 4.500 4.941 -0.441 1
1 1009 . 19 1 1 A 111 111 ASP CA C 111 52.770 55.206 -2.436 1
1 1010 . 19 1 1 A 111 111 ASP CB C 111 38.290 43.609 -5.319 1
1 1011 . 19 1 1 A 111 111 ASP N N 111 118.910 118.627 0.283 1
1 1012 . 19 1 1 A 112 112 ALA H H 112 8.050 8.493 -0.443 1
1 1013 . 19 1 1 A 112 112 ALA HA H 112 4.170 4.211 -0.041 1
1 1017 . 19 1 1 A 112 112 ALA CA C 112 50.710 52.868 -2.158 1
1 1018 . 19 1 1 A 112 112 ALA CB C 112 16.110 17.560 -1.450 1
1 1019 . 19 1 1 A 112 112 ALA N N 112 121.600 120.980 0.620 1
1 1020 . 19 1 1 A 113 113 ARG H H 113 7.960 7.996 -0.036 1
1 1021 . 19 1 1 A 113 113 ARG HA H 113 4.030 4.436 -0.406 1
1 1027 . 19 1 1 A 113 113 ARG CA C 113 55.200 55.320 -0.120 1
1 1028 . 19 1 1 A 113 113 ARG CB C 113 27.730 32.056 -4.326 1
1 1031 . 19 1 1 A 113 113 ARG N N 113 116.640 117.686 -1.046 1
1 1032 . 19 1 1 A 114 114 ARG H H 114 7.930 8.638 -0.708 1
1 1033 . 19 1 1 A 114 114 ARG HA H 114 4.000 4.558 -0.558 1
1 1040 . 19 1 1 A 114 114 ARG CA C 114 53.940 55.869 -1.929 1
1 1041 . 19 1 1 A 114 114 ARG CB C 114 30.550 32.056 -1.506 1
1 1044 . 19 1 1 A 114 114 ARG N N 114 116.380 122.420 -6.040 1
1 1045 . 19 1 1 A 115 115 LEU H H 115 8.000 7.753 0.247 1
1 1046 . 19 1 1 A 115 115 LEU HA H 115 4.320 4.443 -0.123 1
1 1056 . 19 1 1 A 115 115 LEU CA C 115 52.870 55.491 -2.621 1
1 1057 . 19 1 1 A 115 115 LEU CB C 115 39.640 44.154 -4.514 1
1 1061 . 19 1 1 A 115 115 LEU N N 115 120.260 119.133 1.127 1
1 1062 . 19 1 1 A 116 116 THR H H 116 7.970 7.685 0.285 1
1 1063 . 19 1 1 A 116 116 THR HA H 116 4.390 4.490 -0.100 1
1 1068 . 19 1 1 A 116 116 THR CA C 116 59.270 62.751 -3.481 1
1 1069 . 19 1 1 A 116 116 THR CB C 116 67.420 69.696 -2.276 1
1 1071 . 19 1 1 A 116 116 THR N N 116 113.250 110.101 3.149 1
1 1072 . 19 1 1 A 117 117 VAL H H 117 8.070 8.072 -0.002 1
1 1073 . 19 1 1 A 117 117 VAL HA H 117 4.330 4.020 0.310 1
1 1078 . 19 1 1 A 117 117 VAL CA C 117 60.230 64.702 -4.472 1
1 1079 . 19 1 1 A 117 117 VAL CB C 117 30.360 31.761 -1.401 1
1 1081 . 19 1 1 A 117 117 VAL N N 117 120.990 122.535 -1.545 1
1 1082 . 19 1 1 A 118 118 THR H H 118 8.210 8.005 0.205 1
1 1083 . 19 1 1 A 118 118 THR HA H 118 4.380 3.962 0.418 1
1 1088 . 19 1 1 A 118 118 THR CA C 118 58.770 63.037 -4.267 1
1 1089 . 19 1 1 A 118 118 THR CB C 118 67.420 67.525 -0.105 1
1 1091 . 19 1 1 A 118 118 THR N N 118 116.420 116.078 0.342 1
1 1098 . 19 2 2 B 6 6 GLU H H 6 8.780 8.657 0.123 1
1 1099 . 19 2 2 B 6 6 GLU HA H 6 4.160 4.427 -0.267 1
1 1104 . 19 2 2 B 8 8 ARG H H 8 8.200 8.480 -0.280 1
1 1105 . 19 2 2 B 8 8 ARG HA H 8 4.210 4.643 -0.433 1
1 1111 . 19 2 2 B 9 9 VAL H H 9 9.000 8.365 0.635 1
1 1112 . 19 2 2 B 9 9 VAL HA H 9 4.070 4.094 -0.024 1
1 1123 . 19 2 2 B 11 11 SER H H 11 8.490 8.707 -0.217 1
1 1126 . 19 2 2 B 12 12 SER HA H 12 4.410 5.240 -0.830 1
1 1129 . 19 2 2 B 13 13 VAL H H 13 8.800 8.686 0.114 1
1 1130 . 19 2 2 B 13 13 VAL HA H 13 4.010 4.904 -0.894 1
1 1138 . 19 2 2 B 14 14 PHE HA H 14 4.620 5.100 -0.480 1
1 1143 . 19 2 2 B 15 15 ILE H H 15 8.710 8.800 -0.090 1
1 1144 . 19 2 2 B 15 15 ILE HA H 15 4.140 4.602 -0.462 1
1 1154 . 19 2 2 B 16 16 THR HA H 16 4.220 5.006 -0.786 1
1 1159 . 19 2 2 B 17 17 LEU H H 17 8.270 8.858 -0.588 1
1 1160 . 19 2 2 B 17 17 LEU HA H 17 4.130 5.071 -0.941 1
1 1170 . 19 2 2 B 18 18 ALA HA H 18 4.500 4.836 -0.336 1
1 4 . 20 1 1 A 2 2 ILE H H 2 8.800 7.823 0.977 1
1 5 . 20 1 1 A 2 2 ILE N N 2 126.630 119.461 7.169 1
1 6 . 20 1 1 A 3 3 PRO HA H 3 4.360 4.314 0.046 1
1 13 . 20 1 1 A 3 3 PRO CA C 3 60.670 66.175 -5.505 1
1 14 . 20 1 1 A 3 3 PRO CB C 3 29.390 31.272 -1.882 1
1 17 . 20 1 1 A 4 4 GLU H H 4 8.270 8.110 0.160 1
1 18 . 20 1 1 A 4 4 GLU HA H 4 4.360 4.156 0.204 1
1 23 . 20 1 1 A 4 4 GLU CA C 4 53.690 58.086 -4.396 1
1 24 . 20 1 1 A 4 4 GLU CB C 4 29.430 29.429 0.001 1
1 26 . 20 1 1 A 4 4 GLU N N 4 119.290 118.339 0.951 1
1 27 . 20 1 1 A 5 5 PHE H H 5 8.810 8.064 0.746 1
1 28 . 20 1 1 A 5 5 PHE N N 5 126.600 120.430 6.170 1
1 29 . 20 1 1 A 6 6 PHE H H 6 8.070 8.361 -0.291 1
1 30 . 20 1 1 A 6 6 PHE HA H 6 4.650 4.362 0.288 1
1 33 . 20 1 1 A 6 6 PHE CA C 6 54.920 58.736 -3.816 1
1 34 . 20 1 1 A 6 6 PHE CB C 6 37.190 39.122 -1.932 1
1 35 . 20 1 1 A 6 6 PHE N N 6 120.380 118.547 1.833 1
1 36 . 20 1 1 A 7 7 GLN H H 7 7.980 8.997 -1.017 1
1 37 . 20 1 1 A 7 7 GLN HA H 7 4.430 4.339 0.091 1
1 42 . 20 1 1 A 7 7 GLN CA C 7 54.860 57.247 -2.387 1
1 43 . 20 1 1 A 7 7 GLN CB C 7 26.570 28.345 -1.775 1
1 45 . 20 1 1 A 7 7 GLN N N 7 119.930 119.121 0.809 1
1 46 . 20 1 1 A 8 8 PHE H H 8 8.030 8.020 0.010 1
1 47 . 20 1 1 A 8 8 PHE HA H 8 4.630 4.856 -0.226 1
1 50 . 20 1 1 A 8 8 PHE CA C 8 55.020 59.074 -4.054 1
1 51 . 20 1 1 A 8 8 PHE CB C 8 36.840 41.778 -4.938 1
1 52 . 20 1 1 A 8 8 PHE N N 8 119.560 119.227 0.333 1
1 53 . 20 1 1 A 9 9 THR H H 9 8.040 8.107 -0.067 1
1 54 . 20 1 1 A 9 9 THR HA H 9 4.300 4.330 -0.030 1
1 59 . 20 1 1 A 9 9 THR CA C 9 59.410 62.337 -2.927 1
1 60 . 20 1 1 A 9 9 THR CB C 9 67.440 69.051 -1.611 1
1 62 . 20 1 1 A 9 9 THR N N 9 114.650 112.580 2.070 1
1 63 . 20 1 1 A 10 10 VAL H H 10 8.070 7.905 0.165 1
1 64 . 20 1 1 A 10 10 VAL HA H 10 4.210 3.786 0.424 1
1 72 . 20 1 1 A 10 10 VAL CA C 10 59.470 64.852 -5.382 1
1 73 . 20 1 1 A 10 10 VAL CB C 10 30.180 32.511 -2.331 1
1 75 . 20 1 1 A 10 10 VAL N N 10 120.380 121.719 -1.339 1
1 76 . 20 1 1 A 11 11 GLY H H 11 8.200 7.631 0.569 1
1 77 . 20 1 1 A 11 11 GLY HA2 H 11 4.090 3.963 0.127 1
1 78 . 20 1 1 A 11 11 GLY HA3 H 11 4.000 3.968 0.032 1
1 79 . 20 1 1 A 11 11 GLY CA C 11 41.420 45.578 -4.158 1
1 80 . 20 1 1 A 11 11 GLY N N 11 110.910 109.067 1.843 1
1 81 . 20 1 1 A 12 12 PRO HA H 12 4.360 4.536 -0.176 1
1 88 . 20 1 1 A 12 12 PRO CA C 12 60.590 63.015 -2.425 1
1 89 . 20 1 1 A 12 12 PRO CB C 12 33.600 30.719 2.881 1
1 92 . 20 1 1 A 13 13 LEU H H 13 8.360 9.352 -0.992 1
1 93 . 20 1 1 A 13 13 LEU HA H 13 4.340 3.880 0.460 1
1 103 . 20 1 1 A 13 13 LEU CA C 13 52.800 55.457 -2.657 1
1 104 . 20 1 1 A 13 13 LEU CB C 13 39.650 39.621 0.029 1
1 108 . 20 1 1 A 13 13 LEU N N 13 120.390 119.152 1.238 1
1 109 . 20 1 1 A 14 14 GLY H H 14 8.240 8.277 -0.037 1
1 110 . 20 1 1 A 14 14 GLY HA2 H 14 3.960 3.906 0.054 1
1 111 . 20 1 1 A 14 14 GLY HA3 H 14 3.660 3.946 -0.286 1
1 112 . 20 1 1 A 14 14 GLY CA C 14 40.240 45.243 -5.003 1
1 113 . 20 1 1 A 14 14 GLY N N 14 107.860 108.428 -0.568 1
1 114 . 20 1 1 A 15 15 GLU H H 15 8.250 9.293 -1.043 1
1 115 . 20 1 1 A 15 15 GLU HA H 15 4.360 4.021 0.339 1
1 120 . 20 1 1 A 15 15 GLU CA C 15 53.920 57.664 -3.744 1
1 121 . 20 1 1 A 15 15 GLU CB C 15 27.800 28.860 -1.060 1
1 123 . 20 1 1 A 15 15 GLU N N 15 118.800 119.610 -0.810 1
1 124 . 20 1 1 A 16 16 GLY H H 16 8.460 8.553 -0.093 1
1 125 . 20 1 1 A 16 16 GLY HA2 H 16 3.960 4.026 -0.066 1
1 126 . 20 1 1 A 16 16 GLY HA3 H 16 3.880 4.044 -0.164 1
1 127 . 20 1 1 A 16 16 GLY CA C 16 42.490 44.906 -2.416 1
1 128 . 20 1 1 A 16 16 GLY N N 16 108.190 107.252 0.938 1
1 129 . 20 1 1 A 17 17 GLY H H 17 8.300 8.644 -0.344 1
1 130 . 20 1 1 A 17 17 GLY HA2 H 17 4.430 4.104 0.326 1
1 131 . 20 1 1 A 17 17 GLY HA3 H 17 3.780 4.226 -0.446 1
1 132 . 20 1 1 A 17 17 GLY CA C 17 42.550 45.841 -3.291 1
1 133 . 20 1 1 A 17 17 GLY N N 17 105.790 114.566 -8.776 1
1 134 . 20 1 1 A 18 18 ALA H H 18 8.800 9.540 -0.740 1
1 135 . 20 1 1 A 18 18 ALA HA H 18 3.760 4.135 -0.375 1
1 139 . 20 1 1 A 18 18 ALA CA C 18 52.780 54.240 -1.460 1
1 140 . 20 1 1 A 18 18 ALA CB C 18 16.810 18.454 -1.644 1
1 141 . 20 1 1 A 18 18 ALA N N 18 120.770 124.527 -3.757 1
1 142 . 20 1 1 A 19 19 HIS H H 19 8.230 7.958 0.272 1
1 143 . 20 1 1 A 19 19 HIS HA H 19 4.410 4.219 0.191 1
1 146 . 20 1 1 A 19 19 HIS CA C 19 54.740 59.429 -4.689 1
1 147 . 20 1 1 A 19 19 HIS CB C 19 26.240 29.841 -3.601 1
1 148 . 20 1 1 A 19 19 HIS N N 19 109.490 118.749 -9.259 1
1 149 . 20 1 1 A 20 20 LYS H H 20 7.570 8.264 -0.694 1
1 150 . 20 1 1 A 20 20 LYS HA H 20 4.170 4.078 0.092 1
1 159 . 20 1 1 A 20 20 LYS CA C 20 52.100 57.173 -5.073 1
1 160 . 20 1 1 A 20 20 LYS CB C 20 29.850 32.161 -2.311 1
1 164 . 20 1 1 A 20 20 LYS N N 20 115.920 115.441 0.479 1
1 165 . 20 1 1 A 21 21 VAL H H 21 7.460 7.066 0.394 1
1 166 . 20 1 1 A 21 21 VAL HA H 21 4.270 3.819 0.451 1
1 174 . 20 1 1 A 21 21 VAL CA C 21 60.730 61.856 -1.126 1
1 175 . 20 1 1 A 21 21 VAL CB C 21 29.340 31.778 -2.438 1
1 178 . 20 1 1 A 21 21 VAL N N 21 122.030 121.819 0.211 1
1 179 . 20 1 1 A 22 22 ARG H H 22 7.840 8.616 -0.776 1
1 180 . 20 1 1 A 22 22 ARG HA H 22 5.100 5.079 0.021 1
1 187 . 20 1 1 A 22 22 ARG CA C 22 51.230 54.279 -3.049 1
1 188 . 20 1 1 A 22 22 ARG CB C 22 31.930 32.924 -0.994 1
1 191 . 20 1 1 A 22 22 ARG N N 22 121.520 129.625 -8.105 1
1 192 . 20 1 1 A 23 23 ALA H H 23 8.920 8.825 0.095 1
1 193 . 20 1 1 A 23 23 ALA HA H 23 5.580 5.450 0.130 1
1 197 . 20 1 1 A 23 23 ALA CA C 23 47.810 51.357 -3.547 1
1 198 . 20 1 1 A 23 23 ALA CB C 23 21.660 21.754 -0.094 1
1 199 . 20 1 1 A 23 23 ALA N N 23 123.300 127.441 -4.141 1
1 200 . 20 1 1 A 24 24 GLY H H 24 8.450 8.483 -0.033 1
1 201 . 20 1 1 A 24 24 GLY HA2 H 24 4.200 4.335 -0.135 1
1 202 . 20 1 1 A 24 24 GLY HA3 H 24 4.160 4.343 -0.183 1
1 203 . 20 1 1 A 24 24 GLY CA C 24 43.560 45.131 -1.571 1
1 204 . 20 1 1 A 24 24 GLY N N 24 104.220 109.297 -5.077 1
1 205 . 20 1 1 A 25 25 GLY H H 25 8.770 8.501 0.269 1
1 206 . 20 1 1 A 25 25 GLY HA2 H 25 4.880 4.300 0.580 1
1 207 . 20 1 1 A 25 25 GLY HA3 H 25 4.050 4.392 -0.342 1
1 208 . 20 1 1 A 25 25 GLY CA C 25 42.110 46.058 -3.948 1
1 209 . 20 1 1 A 25 25 GLY N N 25 109.590 110.101 -0.511 1
1 210 . 20 1 1 A 26 26 THR H H 26 8.620 8.703 -0.083 1
1 211 . 20 1 1 A 26 26 THR HA H 26 4.030 4.108 -0.078 1
1 216 . 20 1 1 A 26 26 THR CA C 26 63.280 65.154 -1.874 1
1 217 . 20 1 1 A 26 26 THR CB C 26 65.990 68.936 -2.946 1
1 219 . 20 1 1 A 26 26 THR N N 26 113.050 113.041 0.009 1
1 220 . 20 1 1 A 27 27 GLY H H 27 9.040 8.769 0.271 1
1 221 . 20 1 1 A 27 27 GLY HA2 H 27 4.270 4.104 0.166 1
1 222 . 20 1 1 A 27 27 GLY HA3 H 27 3.390 4.252 -0.862 1
1 223 . 20 1 1 A 27 27 GLY CA C 27 44.250 46.622 -2.372 1
1 224 . 20 1 1 A 27 27 GLY N N 27 105.190 111.279 -6.089 1
1 225 . 20 1 1 A 28 28 LEU H H 28 7.450 8.031 -0.581 1
1 226 . 20 1 1 A 28 28 LEU HA H 28 4.210 4.364 -0.154 1
1 236 . 20 1 1 A 28 28 LEU CA C 28 51.150 54.400 -3.250 1
1 237 . 20 1 1 A 28 28 LEU CB C 28 37.670 41.383 -3.713 1
1 241 . 20 1 1 A 28 28 LEU N N 28 114.980 119.919 -4.939 1
1 242 . 20 1 1 A 29 29 GLU H H 29 7.980 7.649 0.331 1
1 243 . 20 1 1 A 29 29 GLU HA H 29 4.540 4.515 0.025 1
1 248 . 20 1 1 A 29 29 GLU CA C 29 54.910 57.137 -2.227 1
1 249 . 20 1 1 A 29 29 GLU CB C 29 29.430 32.679 -3.249 1
1 251 . 20 1 1 A 29 29 GLU N N 29 117.810 117.576 0.234 1
1 252 . 20 1 1 A 30 30 ARG H H 30 8.340 7.537 0.803 1
1 253 . 20 1 1 A 30 30 ARG HA H 30 4.720 4.722 -0.002 1
1 260 . 20 1 1 A 30 30 ARG CA C 30 53.350 54.993 -1.643 1
1 261 . 20 1 1 A 30 30 ARG CB C 30 29.440 32.873 -3.433 1
1 264 . 20 1 1 A 30 30 ARG N N 30 112.890 115.111 -2.221 1
1 265 . 20 1 1 A 31 31 GLY H H 31 8.100 8.046 0.054 1
1 266 . 20 1 1 A 31 31 GLY HA2 H 31 4.540 4.399 0.141 1
1 267 . 20 1 1 A 31 31 GLY HA3 H 31 3.610 4.440 -0.830 1
1 268 . 20 1 1 A 31 31 GLY CA C 31 41.630 45.488 -3.858 1
1 269 . 20 1 1 A 31 31 GLY N N 31 103.670 106.184 -2.514 1
1 270 . 20 1 1 A 32 32 VAL H H 32 9.410 8.448 0.962 1
1 271 . 20 1 1 A 32 32 VAL HA H 32 4.450 5.129 -0.679 1
1 279 . 20 1 1 A 32 32 VAL CA C 32 58.730 59.993 -1.263 1
1 280 . 20 1 1 A 32 32 VAL CB C 32 32.560 35.764 -3.204 1
1 283 . 20 1 1 A 32 32 VAL N N 32 122.160 120.338 1.822 1
1 284 . 20 1 1 A 33 33 ALA H H 33 8.560 8.520 0.040 1
1 285 . 20 1 1 A 33 33 ALA HA H 33 3.620 3.994 -0.374 1
1 289 . 20 1 1 A 33 33 ALA CA C 33 50.860 53.971 -3.111 1
1 290 . 20 1 1 A 33 33 ALA CB C 33 14.450 18.543 -4.093 1
1 291 . 20 1 1 A 33 33 ALA N N 33 129.490 128.816 0.674 1
1 292 . 20 1 1 A 34 34 GLY H H 34 8.590 8.818 -0.228 1
1 293 . 20 1 1 A 34 34 GLY HA2 H 34 4.320 3.892 0.428 1
1 294 . 20 1 1 A 34 34 GLY HA3 H 34 3.420 3.892 -0.472 1
1 295 . 20 1 1 A 34 34 GLY CA C 34 42.710 46.944 -4.234 1
1 296 . 20 1 1 A 34 34 GLY N N 34 106.900 111.620 -4.720 1
1 297 . 20 1 1 A 35 35 VAL H H 35 7.840 7.499 0.341 1
1 298 . 20 1 1 A 35 35 VAL HA H 35 4.450 4.394 0.056 1
1 306 . 20 1 1 A 35 35 VAL CA C 35 56.660 58.993 -2.333 1
1 307 . 20 1 1 A 35 35 VAL CB C 35 32.030 35.154 -3.124 1
1 310 . 20 1 1 A 35 35 VAL N N 35 121.520 119.758 1.762 1
1 311 . 20 1 1 A 36 36 PRO HA H 36 4.260 4.393 -0.133 1
1 318 . 20 1 1 A 36 36 PRO CA C 36 60.720 62.776 -2.056 1
1 319 . 20 1 1 A 36 36 PRO CB C 36 28.760 31.783 -3.023 1
1 322 . 20 1 1 A 37 37 ALA H H 37 8.920 7.997 0.923 1
1 323 . 20 1 1 A 37 37 ALA HA H 37 4.490 4.923 -0.433 1
1 327 . 20 1 1 A 37 37 ALA CA C 37 47.550 50.176 -2.626 1
1 328 . 20 1 1 A 37 37 ALA CB C 37 17.110 22.304 -5.194 1
1 329 . 20 1 1 A 37 37 ALA N N 37 129.160 125.464 3.696 1
1 330 . 20 1 1 A 38 38 GLU H H 38 8.470 8.843 -0.373 1
1 331 . 20 1 1 A 38 38 GLU HA H 38 4.330 5.176 -0.846 1
1 336 . 20 1 1 A 38 38 GLU CA C 38 52.150 55.557 -3.407 1
1 337 . 20 1 1 A 38 38 GLU CB C 38 31.010 33.503 -2.493 1
1 339 . 20 1 1 A 38 38 GLU N N 38 117.150 115.441 1.709 1
1 340 . 20 1 1 A 39 39 PHE H H 39 8.870 8.520 0.350 1
1 341 . 20 1 1 A 39 39 PHE HA H 39 4.520 5.193 -0.673 1
1 344 . 20 1 1 A 39 39 PHE CA C 39 54.670 56.293 -1.623 1
1 345 . 20 1 1 A 39 39 PHE CB C 39 37.170 41.074 -3.904 1
1 346 . 20 1 1 A 39 39 PHE N N 39 115.740 118.042 -2.302 1
1 347 . 20 1 1 A 40 40 SER H H 40 8.870 8.291 0.579 1
1 348 . 20 1 1 A 40 40 SER HA H 40 5.420 5.021 0.399 1
1 351 . 20 1 1 A 40 40 SER CA C 40 54.890 57.784 -2.894 1
1 352 . 20 1 1 A 40 40 SER CB C 40 63.790 64.761 -0.971 1
1 353 . 20 1 1 A 40 40 SER N N 40 113.140 116.272 -3.132 1
1 354 . 20 1 1 A 41 41 ILE H H 41 8.410 8.799 -0.389 1
1 355 . 20 1 1 A 41 41 ILE HA H 41 4.670 4.923 -0.253 1
1 365 . 20 1 1 A 41 41 ILE CA C 41 57.640 60.786 -3.146 1
1 366 . 20 1 1 A 41 41 ILE CB C 41 38.260 39.999 -1.739 1
1 370 . 20 1 1 A 41 41 ILE N N 41 118.020 123.386 -5.366 1
1 371 . 20 1 1 A 42 42 TRP H H 42 9.580 8.666 0.914 1
1 372 . 20 1 1 A 42 42 TRP HA H 42 4.870 5.212 -0.342 1
1 375 . 20 1 1 A 42 42 TRP CA C 42 56.240 55.860 0.380 1
1 376 . 20 1 1 A 42 42 TRP CB C 42 27.690 32.639 -4.949 1
1 377 . 20 1 1 A 42 42 TRP N N 42 126.430 130.587 -4.157 1
1 378 . 20 1 1 A 43 43 THR H H 43 8.370 8.590 -0.220 1
1 379 . 20 1 1 A 43 43 THR HA H 43 3.800 3.588 0.212 1
1 384 . 20 1 1 A 43 43 THR CA C 43 59.210 59.652 -0.442 1
1 385 . 20 1 1 A 43 43 THR CB C 43 67.070 69.711 -2.641 1
1 387 . 20 1 1 A 43 43 THR N N 43 112.460 119.598 -7.138 1
1 388 . 20 1 1 A 44 44 ARG HA H 44 3.910 3.783 0.127 1
1 395 . 20 1 1 A 44 44 ARG CA C 44 57.190 56.702 0.488 1
1 396 . 20 1 1 A 44 44 ARG CB C 44 27.710 28.135 -0.425 1
1 399 . 20 1 1 A 45 45 GLU H H 45 8.260 7.865 0.395 1
1 400 . 20 1 1 A 45 45 GLU HA H 45 4.160 4.576 -0.416 1
1 405 . 20 1 1 A 45 45 GLU CA C 45 54.510 57.916 -3.406 1
1 406 . 20 1 1 A 45 45 GLU CB C 45 27.510 32.034 -4.524 1
1 408 . 20 1 1 A 45 45 GLU N N 45 113.080 120.146 -7.066 1
1 409 . 20 1 1 A 46 46 ALA H H 46 7.550 8.224 -0.674 1
1 410 . 20 1 1 A 46 46 ALA HA H 46 3.870 4.138 -0.268 1
1 414 . 20 1 1 A 46 46 ALA CA C 46 50.350 54.949 -4.599 1
1 415 . 20 1 1 A 46 46 ALA CB C 46 18.120 19.518 -1.398 1
1 416 . 20 1 1 A 46 46 ALA N N 46 119.560 122.080 -2.520 1
1 417 . 20 1 1 A 47 47 GLY H H 47 7.450 7.425 0.025 1
1 418 . 20 1 1 A 47 47 GLY HA2 H 47 4.180 4.097 0.083 1
1 419 . 20 1 1 A 47 47 GLY HA3 H 47 3.630 4.098 -0.468 1
1 420 . 20 1 1 A 47 47 GLY CA C 47 41.940 45.573 -3.633 1
1 421 . 20 1 1 A 47 47 GLY N N 47 102.870 101.783 1.087 1
1 422 . 20 1 1 A 48 48 ALA H H 48 8.220 8.343 -0.123 1
1 423 . 20 1 1 A 48 48 ALA HA H 48 4.290 4.401 -0.111 1
1 427 . 20 1 1 A 48 48 ALA CA C 48 49.360 52.849 -3.489 1
1 428 . 20 1 1 A 48 48 ALA CB C 48 16.590 19.612 -3.022 1
1 429 . 20 1 1 A 48 48 ALA N N 48 120.390 123.331 -2.941 1
1 430 . 20 1 1 A 49 49 GLY H H 49 8.000 8.351 -0.351 1
1 431 . 20 1 1 A 49 49 GLY HA2 H 49 3.720 3.584 0.136 1
1 432 . 20 1 1 A 49 49 GLY HA3 H 49 3.720 4.024 -0.304 1
1 433 . 20 1 1 A 49 49 GLY CA C 49 43.000 45.867 -2.867 1
1 434 . 20 1 1 A 49 49 GLY N N 49 106.720 106.717 0.003 1
1 435 . 20 1 1 A 50 50 GLY H H 50 7.580 8.008 -0.428 1
1 436 . 20 1 1 A 50 50 GLY N N 50 104.780 108.838 -4.058 1
1 437 . 20 1 1 A 51 51 LEU HA H 51 5.300 5.459 -0.159 1
1 444 . 20 1 1 A 51 51 LEU CA C 51 50.270 53.782 -3.512 1
1 445 . 20 1 1 A 51 51 LEU CB C 51 42.930 44.352 -1.422 1
1 448 . 20 1 1 A 52 52 SER H H 52 9.110 8.511 0.599 1
1 449 . 20 1 1 A 52 52 SER HA H 52 5.180 4.985 0.195 1
1 452 . 20 1 1 A 52 52 SER CA C 52 53.700 58.713 -5.013 1
1 453 . 20 1 1 A 52 52 SER CB C 52 63.000 64.244 -1.244 1
1 454 . 20 1 1 A 52 52 SER N N 52 117.210 124.307 -7.097 1
1 455 . 20 1 1 A 53 53 ILE H H 53 8.330 8.940 -0.610 1
1 456 . 20 1 1 A 53 53 ILE HA H 53 4.930 4.959 -0.029 1
1 466 . 20 1 1 A 53 53 ILE CA C 53 57.220 60.506 -3.286 1
1 467 . 20 1 1 A 53 53 ILE CB C 53 37.710 40.688 -2.978 1
1 471 . 20 1 1 A 53 53 ILE N N 53 124.030 125.694 -1.664 1
1 472 . 20 1 1 A 54 54 ALA H H 54 8.920 8.768 0.152 1
1 473 . 20 1 1 A 54 54 ALA HA H 54 5.390 4.962 0.428 1
1 477 . 20 1 1 A 54 54 ALA CA C 54 47.440 50.495 -3.055 1
1 478 . 20 1 1 A 54 54 ALA CB C 54 19.810 20.383 -0.573 1
1 479 . 20 1 1 A 54 54 ALA N N 54 126.530 131.069 -4.539 1
1 480 . 20 1 1 A 55 55 VAL H H 55 9.010 8.712 0.298 1
1 481 . 20 1 1 A 55 55 VAL HA H 55 4.830 5.192 -0.362 1
1 489 . 20 1 1 A 55 55 VAL CA C 55 58.430 59.721 -1.291 1
1 490 . 20 1 1 A 55 55 VAL CB C 55 31.020 33.743 -2.723 1
1 493 . 20 1 1 A 55 55 VAL N N 55 119.590 118.790 0.800 1
1 494 . 20 1 1 A 56 56 GLU H H 56 9.270 8.773 0.497 1
1 495 . 20 1 1 A 56 56 GLU HA H 56 4.690 5.228 -0.538 1
1 500 . 20 1 1 A 56 56 GLU CA C 56 52.000 55.069 -3.069 1
1 501 . 20 1 1 A 56 56 GLU CB C 56 31.050 33.725 -2.675 1
1 503 . 20 1 1 A 56 56 GLU N N 56 127.360 124.147 3.213 1
1 504 . 20 1 1 A 57 57 GLY H H 57 8.620 8.256 0.364 1
1 505 . 20 1 1 A 57 57 GLY N N 57 108.540 110.846 -2.306 1
1 506 . 20 1 1 A 58 58 PRO HA H 58 4.480 4.340 0.140 1
1 513 . 20 1 1 A 58 58 PRO CA C 58 61.850 64.384 -2.534 1
1 514 . 20 1 1 A 58 58 PRO CB C 58 29.820 32.141 -2.321 1
1 517 . 20 1 1 A 59 59 SER H H 59 7.200 7.377 -0.177 1
1 518 . 20 1 1 A 59 59 SER HA H 59 4.620 5.019 -0.399 1
1 521 . 20 1 1 A 59 59 SER CA C 59 55.050 57.525 -2.475 1
1 522 . 20 1 1 A 59 59 SER CB C 59 63.650 67.471 -3.821 1
1 523 . 20 1 1 A 59 59 SER N N 59 106.970 114.198 -7.228 1
1 524 . 20 1 1 A 60 60 LYS H H 60 8.570 8.430 0.140 1
1 525 . 20 1 1 A 60 60 LYS HA H 60 4.000 5.011 -1.011 1
1 534 . 20 1 1 A 60 60 LYS CA C 60 54.090 55.597 -1.507 1
1 535 . 20 1 1 A 60 60 LYS CB C 60 30.480 33.952 -3.472 1
1 539 . 20 1 1 A 60 60 LYS N N 60 118.890 122.748 -3.858 1
1 540 . 20 1 1 A 61 61 ALA H H 61 8.830 8.973 -0.143 1
1 541 . 20 1 1 A 61 61 ALA HA H 61 4.930 5.217 -0.287 1
1 545 . 20 1 1 A 61 61 ALA CA C 61 47.980 51.165 -3.185 1
1 546 . 20 1 1 A 61 61 ALA CB C 61 17.500 19.870 -2.370 1
1 547 . 20 1 1 A 61 61 ALA N N 61 127.130 128.043 -0.913 1
1 548 . 20 1 1 A 62 62 GLU H H 62 8.440 8.264 0.176 1
1 549 . 20 1 1 A 62 62 GLU HA H 62 4.610 4.611 -0.001 1
1 554 . 20 1 1 A 62 62 GLU CA C 62 52.800 55.433 -2.633 1
1 555 . 20 1 1 A 62 62 GLU CB C 62 27.620 29.882 -2.262 1
1 557 . 20 1 1 A 62 62 GLU N N 62 121.980 123.056 -1.076 1
1 558 . 20 1 1 A 63 63 ILE H H 63 8.710 8.493 0.217 1
1 559 . 20 1 1 A 63 63 ILE HA H 63 4.710 4.519 0.191 1
1 569 . 20 1 1 A 63 63 ILE CA C 63 58.480 62.248 -3.768 1
1 570 . 20 1 1 A 63 63 ILE CB C 63 37.820 38.578 -0.758 1
1 574 . 20 1 1 A 63 63 ILE N N 63 125.400 127.127 -1.727 1
1 575 . 20 1 1 A 64 64 ALA H H 64 9.350 8.688 0.662 1
1 576 . 20 1 1 A 64 64 ALA HA H 64 5.400 5.037 0.363 1
1 580 . 20 1 1 A 64 64 ALA CA C 64 47.440 51.568 -4.128 1
1 581 . 20 1 1 A 64 64 ALA CB C 64 19.750 22.419 -2.669 1
1 582 . 20 1 1 A 64 64 ALA N N 64 130.180 125.103 5.077 1
1 583 . 20 1 1 A 65 65 PHE H H 65 8.120 8.654 -0.534 1
1 584 . 20 1 1 A 65 65 PHE HA H 65 5.410 5.296 0.114 1
1 587 . 20 1 1 A 65 65 PHE CA C 65 53.210 56.004 -2.794 1
1 588 . 20 1 1 A 65 65 PHE CB C 65 40.490 40.362 0.128 1
1 589 . 20 1 1 A 65 65 PHE N N 65 115.800 119.882 -4.082 1
1 590 . 20 1 1 A 66 66 GLU H H 66 8.360 9.537 -1.177 1
1 591 . 20 1 1 A 66 66 GLU HA H 66 4.700 4.747 -0.047 1
1 596 . 20 1 1 A 66 66 GLU CA C 66 52.100 55.131 -3.031 1
1 597 . 20 1 1 A 66 66 GLU CB C 66 30.280 32.987 -2.707 1
1 599 . 20 1 1 A 66 66 GLU N N 66 120.390 122.672 -2.282 1
1 600 . 20 1 1 A 67 67 ASP H H 67 8.880 8.881 -0.001 1
1 601 . 20 1 1 A 67 67 ASP HA H 67 5.120 4.795 0.325 1
1 604 . 20 1 1 A 67 67 ASP CA C 67 51.070 54.491 -3.421 1
1 605 . 20 1 1 A 67 67 ASP CB C 67 38.310 40.924 -2.614 1
1 606 . 20 1 1 A 67 67 ASP N N 67 124.860 126.223 -1.363 1
1 607 . 20 1 1 A 68 68 ARG H H 68 8.330 9.126 -0.796 1
1 608 . 20 1 1 A 68 68 ARG HA H 68 4.170 4.497 -0.327 1
1 613 . 20 1 1 A 68 68 ARG CA C 68 54.170 56.786 -2.616 1
1 614 . 20 1 1 A 68 68 ARG CB C 68 27.740 32.356 -4.616 1
1 615 . 20 1 1 A 68 68 ARG N N 68 125.010 123.491 1.519 1
1 616 . 20 1 1 A 69 69 LYS H H 69 7.980 7.682 0.298 1
1 617 . 20 1 1 A 69 69 LYS HA H 69 4.030 4.422 -0.392 1
1 626 . 20 1 1 A 69 69 LYS CA C 69 55.530 55.294 0.236 1
1 627 . 20 1 1 A 69 69 LYS CB C 69 26.220 33.600 -7.380 1
1 631 . 20 1 1 A 69 69 LYS N N 69 118.110 116.424 1.686 1
1 632 . 20 1 1 A 70 70 ASP H H 70 7.930 8.244 -0.314 1
1 633 . 20 1 1 A 70 70 ASP HA H 70 4.330 4.473 -0.143 1
1 636 . 20 1 1 A 70 70 ASP CA C 70 52.540 55.729 -3.189 1
1 637 . 20 1 1 A 70 70 ASP CB C 70 40.020 40.484 -0.464 1
1 638 . 20 1 1 A 70 70 ASP N N 70 116.380 117.924 -1.544 1
1 639 . 20 1 1 A 71 71 GLY H H 71 9.080 8.502 0.578 1
1 640 . 20 1 1 A 71 71 GLY HA2 H 71 4.200 3.760 0.440 1
1 641 . 20 1 1 A 71 71 GLY HA3 H 71 3.630 3.917 -0.287 1
1 642 . 20 1 1 A 71 71 GLY CA C 71 42.480 45.229 -2.749 1
1 643 . 20 1 1 A 71 71 GLY N N 71 108.240 106.722 1.518 1
1 644 . 20 1 1 A 72 72 SER H H 72 8.400 7.789 0.611 1
1 645 . 20 1 1 A 72 72 SER HA H 72 5.470 5.069 0.401 1
1 648 . 20 1 1 A 72 72 SER CA C 72 54.440 57.303 -2.863 1
1 649 . 20 1 1 A 72 72 SER CB C 72 65.130 65.789 -0.659 1
1 650 . 20 1 1 A 72 72 SER N N 72 116.980 113.423 3.557 1
1 651 . 20 1 1 A 73 73 CYS H H 73 8.810 9.131 -0.321 1
1 652 . 20 1 1 A 73 73 CYS HA H 73 5.210 4.897 0.313 1
1 655 . 20 1 1 A 73 73 CYS CA C 73 53.240 57.763 -4.523 1
1 656 . 20 1 1 A 73 73 CYS CB C 73 28.520 27.869 0.651 1
1 657 . 20 1 1 A 73 73 CYS N N 73 114.140 124.537 -10.397 1
1 658 . 20 1 1 A 74 74 GLY H H 74 8.880 9.088 -0.208 1
1 659 . 20 1 1 A 74 74 GLY HA2 H 74 4.540 3.940 0.600 1
1 660 . 20 1 1 A 74 74 GLY HA3 H 74 3.610 4.007 -0.397 1
1 661 . 20 1 1 A 74 74 GLY CA C 74 41.630 45.119 -3.489 1
1 662 . 20 1 1 A 74 74 GLY N N 74 110.010 114.128 -4.118 1
1 663 . 20 1 1 A 75 75 VAL H H 75 8.480 8.895 -0.415 1
1 664 . 20 1 1 A 75 75 VAL HA H 75 4.550 4.823 -0.273 1
1 672 . 20 1 1 A 75 75 VAL CA C 75 57.860 61.016 -3.156 1
1 673 . 20 1 1 A 75 75 VAL CB C 75 30.530 32.168 -1.638 1
1 676 . 20 1 1 A 75 75 VAL N N 75 122.510 126.426 -3.916 1
1 677 . 20 1 1 A 76 76 SER H H 76 8.700 9.704 -1.004 1
1 678 . 20 1 1 A 76 76 SER HA H 76 5.540 5.124 0.416 1
1 681 . 20 1 1 A 76 76 SER CA C 76 53.360 58.068 -4.708 1
1 682 . 20 1 1 A 76 76 SER CB C 76 63.190 64.801 -1.611 1
1 683 . 20 1 1 A 76 76 SER N N 76 118.910 124.925 -6.015 1
1 684 . 20 1 1 A 77 77 TYR H H 77 8.960 8.667 0.293 1
1 685 . 20 1 1 A 77 77 TYR HA H 77 4.420 6.149 -1.729 1
1 688 . 20 1 1 A 77 77 TYR CA C 77 52.780 55.422 -2.642 1
1 689 . 20 1 1 A 77 77 TYR CB C 77 39.950 42.105 -2.155 1
1 690 . 20 1 1 A 77 77 TYR N N 77 118.060 121.818 -3.758 1
1 691 . 20 1 1 A 78 78 VAL H H 78 8.160 8.990 -0.830 1
1 692 . 20 1 1 A 78 78 VAL HA H 78 4.320 4.749 -0.429 1
1 700 . 20 1 1 A 78 78 VAL CA C 78 57.510 60.418 -2.908 1
1 701 . 20 1 1 A 78 78 VAL CB C 78 32.620 33.573 -0.953 1
1 704 . 20 1 1 A 78 78 VAL N N 78 116.800 123.425 -6.625 1
1 705 . 20 1 1 A 79 79 VAL H H 79 8.730 8.592 0.138 1
1 706 . 20 1 1 A 79 79 VAL HA H 79 4.760 4.516 0.244 1
1 714 . 20 1 1 A 79 79 VAL CA C 79 55.750 60.495 -4.745 1
1 715 . 20 1 1 A 79 79 VAL CB C 79 30.530 33.896 -3.366 1
1 718 . 20 1 1 A 79 79 VAL N N 79 119.730 125.429 -5.699 1
1 719 . 20 1 1 A 80 80 GLN H H 80 8.030 9.223 -1.193 1
1 720 . 20 1 1 A 80 80 GLN HA H 80 4.240 4.447 -0.207 1
1 725 . 20 1 1 A 80 80 GLN CA C 80 53.910 57.112 -3.202 1
1 726 . 20 1 1 A 80 80 GLN CB C 80 27.130 30.352 -3.222 1
1 728 . 20 1 1 A 80 80 GLN N N 80 116.150 122.081 -5.931 1
1 729 . 20 1 1 A 81 81 GLU H H 81 7.070 8.125 -1.055 1
1 730 . 20 1 1 A 81 81 GLU HA H 81 5.010 4.797 0.213 1
1 735 . 20 1 1 A 81 81 GLU CA C 81 49.600 53.242 -3.642 1
1 736 . 20 1 1 A 81 81 GLU CB C 81 29.410 32.192 -2.782 1
1 738 . 20 1 1 A 81 81 GLU N N 81 113.990 116.394 -2.404 1
1 739 . 20 1 1 A 82 82 PRO HA H 82 5.040 4.416 0.624 1
1 746 . 20 1 1 A 82 82 PRO CA C 82 59.910 63.762 -3.852 1
1 747 . 20 1 1 A 82 82 PRO CB C 82 29.280 32.412 -3.132 1
1 750 . 20 1 1 A 83 83 GLY H H 83 8.840 7.795 1.045 1
1 751 . 20 1 1 A 83 83 GLY CA C 83 41.780 44.424 -2.644 1
1 752 . 20 1 1 A 83 83 GLY N N 83 104.910 107.642 -2.732 1
1 753 . 20 1 1 A 84 84 ASP H H 84 8.250 8.401 -0.151 1
1 754 . 20 1 1 A 84 84 ASP HA H 84 5.260 5.035 0.225 1
1 757 . 20 1 1 A 84 84 ASP CA C 84 51.540 53.189 -1.649 1
1 758 . 20 1 1 A 84 84 ASP CB C 84 38.700 40.067 -1.367 1
1 759 . 20 1 1 A 84 84 ASP N N 84 118.800 120.462 -1.662 1
1 760 . 20 1 1 A 85 85 TYR H H 85 8.810 8.373 0.437 1
1 761 . 20 1 1 A 85 85 TYR HA H 85 3.970 4.762 -0.792 1
1 764 . 20 1 1 A 85 85 TYR CA C 85 53.930 59.494 -5.564 1
1 765 . 20 1 1 A 85 85 TYR CB C 85 37.760 39.552 -1.792 1
1 766 . 20 1 1 A 85 85 TYR N N 85 121.630 124.352 -2.722 1
1 767 . 20 1 1 A 86 86 GLU H H 86 9.320 9.124 0.196 1
1 768 . 20 1 1 A 86 86 GLU HA H 86 5.260 5.008 0.252 1
1 773 . 20 1 1 A 86 86 GLU CA C 86 52.350 54.825 -2.475 1
1 774 . 20 1 1 A 86 86 GLU CB C 86 30.070 31.950 -1.880 1
1 776 . 20 1 1 A 86 86 GLU N N 86 120.420 120.911 -0.491 1
1 777 . 20 1 1 A 87 87 VAL H H 87 9.810 8.287 1.523 1
1 778 . 20 1 1 A 87 87 VAL HA H 87 4.990 5.041 -0.051 1
1 786 . 20 1 1 A 87 87 VAL CA C 87 58.590 59.091 -0.501 1
1 787 . 20 1 1 A 87 87 VAL CB C 87 30.210 34.646 -4.436 1
1 790 . 20 1 1 A 87 87 VAL N N 87 129.200 125.019 4.181 1
1 791 . 20 1 1 A 88 88 SER H H 88 9.560 8.530 1.030 1
1 792 . 20 1 1 A 88 88 SER HA H 88 5.170 5.317 -0.147 1
1 795 . 20 1 1 A 88 88 SER CA C 88 55.170 56.836 -1.666 1
1 796 . 20 1 1 A 88 88 SER CB C 88 62.790 65.321 -2.531 1
1 797 . 20 1 1 A 88 88 SER N N 88 121.730 122.112 -0.382 1
1 798 . 20 1 1 A 89 89 ILE H H 89 9.570 10.405 -0.835 1
1 799 . 20 1 1 A 89 89 ILE HA H 89 4.920 5.443 -0.523 1
1 809 . 20 1 1 A 89 89 ILE CA C 89 57.020 58.844 -1.824 1
1 810 . 20 1 1 A 89 89 ILE CB C 89 38.120 40.826 -2.706 1
1 814 . 20 1 1 A 89 89 ILE N N 89 125.650 121.713 3.937 1
1 815 . 20 1 1 A 90 90 LYS H H 90 8.760 8.724 0.036 1
1 816 . 20 1 1 A 90 90 LYS HA H 90 5.130 5.472 -0.342 1
1 825 . 20 1 1 A 90 90 LYS CA C 90 50.980 54.628 -3.648 1
1 826 . 20 1 1 A 90 90 LYS CB C 90 33.850 35.533 -1.683 1
1 830 . 20 1 1 A 90 90 LYS N N 90 122.170 123.798 -1.628 1
1 831 . 20 1 1 A 91 91 PHE H H 91 9.040 8.399 0.641 1
1 832 . 20 1 1 A 91 91 PHE HA H 91 5.330 4.700 0.630 1
1 835 . 20 1 1 A 91 91 PHE CA C 91 53.190 57.664 -4.474 1
1 836 . 20 1 1 A 91 91 PHE CB C 91 40.200 39.669 0.531 1
1 837 . 20 1 1 A 91 91 PHE N N 91 120.990 125.587 -4.597 1
1 838 . 20 1 1 A 92 92 ASN H H 92 9.210 10.358 -1.148 1
1 839 . 20 1 1 A 92 92 ASN HA H 92 4.220 4.176 0.044 1
1 842 . 20 1 1 A 92 92 ASN CA C 92 51.480 53.859 -2.379 1
1 843 . 20 1 1 A 92 92 ASN CB C 92 33.610 36.857 -3.247 1
1 844 . 20 1 1 A 92 92 ASN N N 92 127.010 125.289 1.721 1
1 845 . 20 1 1 A 93 93 ASP H H 93 8.760 8.497 0.263 1
1 846 . 20 1 1 A 93 93 ASP HA H 93 3.970 4.254 -0.284 1
1 849 . 20 1 1 A 93 93 ASP CA C 93 53.920 55.942 -2.022 1
1 850 . 20 1 1 A 93 93 ASP CB C 93 38.060 39.186 -1.126 1
1 851 . 20 1 1 A 93 93 ASP N N 93 107.220 111.069 -3.849 1
1 852 . 20 1 1 A 94 94 GLU H H 94 7.500 7.938 -0.438 1
1 853 . 20 1 1 A 94 94 GLU HA H 94 4.700 4.701 -0.001 1
1 857 . 20 1 1 A 94 94 GLU CA C 94 51.940 55.385 -3.445 1
1 858 . 20 1 1 A 94 94 GLU CB C 94 29.680 30.129 -0.449 1
1 860 . 20 1 1 A 94 94 GLU N N 94 117.830 117.393 0.437 1
1 861 . 20 1 1 A 95 95 HIS H H 95 8.770 9.022 -0.252 1
1 862 . 20 1 1 A 95 95 HIS HA H 95 4.480 4.736 -0.256 1
1 865 . 20 1 1 A 95 95 HIS CA C 95 56.530 55.287 1.243 1
1 866 . 20 1 1 A 95 95 HIS CB C 95 29.690 29.581 0.109 1
1 867 . 20 1 1 A 95 95 HIS N N 95 121.910 125.358 -3.448 1
1 868 . 20 1 1 A 96 96 ILE H H 96 8.110 7.980 0.130 1
1 869 . 20 1 1 A 96 96 ILE HA H 96 4.310 4.152 0.158 1
1 871 . 20 1 1 A 96 96 ILE CA C 96 57.520 59.222 -1.702 1
1 872 . 20 1 1 A 96 96 ILE CB C 96 32.720 39.752 -7.032 1
1 873 . 20 1 1 A 96 96 ILE N N 96 116.370 127.953 -11.583 1
1 874 . 20 1 1 A 97 97 PRO CA C 97 63.500 65.781 -2.281 1
1 875 . 20 1 1 A 97 97 PRO CB C 97 28.690 31.797 -3.107 1
1 878 . 20 1 1 A 98 98 ASP H H 98 7.940 8.799 -0.859 1
1 879 . 20 1 1 A 98 98 ASP HA H 98 5.010 4.320 0.690 1
1 882 . 20 1 1 A 98 98 ASP CA C 98 54.510 57.541 -3.031 1
1 883 . 20 1 1 A 98 98 ASP CB C 98 37.760 40.427 -2.667 1
1 884 . 20 1 1 A 98 98 ASP N N 98 113.440 118.519 -5.079 1
1 885 . 20 1 1 A 99 99 SER H H 99 7.470 8.035 -0.565 1
1 886 . 20 1 1 A 99 99 SER HA H 99 4.230 4.502 -0.272 1
1 889 . 20 1 1 A 99 99 SER CA C 99 52.370 57.497 -5.127 1
1 890 . 20 1 1 A 99 99 SER CB C 99 60.430 63.156 -2.726 1
1 891 . 20 1 1 A 99 99 SER N N 99 110.680 115.107 -4.427 1
1 892 . 20 1 1 A 100 100 PRO HA H 100 4.550 5.037 -0.487 1
1 899 . 20 1 1 A 100 100 PRO CA C 100 59.920 62.335 -2.415 1
1 900 . 20 1 1 A 100 100 PRO CB C 100 31.880 31.860 0.020 1
1 903 . 20 1 1 A 101 101 PHE H H 101 9.270 7.953 1.317 1
1 904 . 20 1 1 A 101 101 PHE HA H 101 4.560 5.362 -0.802 1
1 907 . 20 1 1 A 101 101 PHE CA C 101 54.060 55.029 -0.969 1
1 908 . 20 1 1 A 101 101 PHE CB C 101 37.930 42.120 -4.190 1
1 909 . 20 1 1 A 101 101 PHE N N 101 119.180 118.328 0.852 1
1 910 . 20 1 1 A 102 102 VAL H H 102 8.760 8.709 0.051 1
1 911 . 20 1 1 A 102 102 VAL HA H 102 4.580 4.878 -0.298 1
1 919 . 20 1 1 A 102 102 VAL CA C 102 60.400 60.881 -0.481 1
1 920 . 20 1 1 A 102 102 VAL CB C 102 28.970 33.525 -4.555 1
1 923 . 20 1 1 A 102 102 VAL N N 102 123.120 121.000 2.120 1
1 924 . 20 1 1 A 103 103 VAL H H 103 9.520 9.497 0.023 1
1 925 . 20 1 1 A 103 103 VAL HA H 103 4.390 4.770 -0.380 1
1 933 . 20 1 1 A 103 103 VAL CA C 103 57.200 59.306 -2.106 1
1 934 . 20 1 1 A 103 103 VAL CB C 103 32.060 33.303 -1.243 1
1 937 . 20 1 1 A 103 103 VAL N N 103 130.330 128.439 1.891 1
1 938 . 20 1 1 A 104 104 PRO HA H 104 4.370 4.749 -0.379 1
1 941 . 20 1 1 A 104 104 PRO CA C 104 60.240 62.615 -2.375 1
1 942 . 20 1 1 A 104 104 PRO CB C 104 29.660 31.779 -2.119 1
1 945 . 20 1 1 A 105 105 VAL H H 105 9.300 8.391 0.909 1
1 946 . 20 1 1 A 105 105 VAL HA H 105 4.300 4.715 -0.415 1
1 954 . 20 1 1 A 105 105 VAL CA C 105 59.210 61.779 -2.569 1
1 955 . 20 1 1 A 105 105 VAL CB C 105 28.840 33.006 -4.166 1
1 958 . 20 1 1 A 105 105 VAL N N 105 126.320 124.423 1.897 1
1 959 . 20 1 1 A 106 106 ALA H H 106 8.360 9.668 -1.308 1
1 960 . 20 1 1 A 106 106 ALA HA H 106 4.660 5.181 -0.521 1
1 964 . 20 1 1 A 106 106 ALA CA C 106 48.340 50.462 -2.122 1
1 965 . 20 1 1 A 106 106 ALA CB C 106 18.960 22.180 -3.220 1
1 966 . 20 1 1 A 106 106 ALA N N 106 130.550 129.014 1.536 1
1 967 . 20 1 1 A 107 107 SER H H 107 8.590 8.822 -0.232 1
1 968 . 20 1 1 A 107 107 SER HA H 107 4.490 4.777 -0.287 1
1 971 . 20 1 1 A 107 107 SER CA C 107 55.570 56.945 -1.375 1
1 972 . 20 1 1 A 107 107 SER CB C 107 61.760 61.947 -0.187 1
1 973 . 20 1 1 A 107 107 SER N N 107 112.340 119.150 -6.810 1
1 974 . 20 1 1 A 108 108 LEU H H 108 8.660 8.300 0.360 1
1 975 . 20 1 1 A 108 108 LEU HA H 108 4.300 3.970 0.330 1
1 985 . 20 1 1 A 108 108 LEU CA C 108 53.250 56.795 -3.545 1
1 986 . 20 1 1 A 108 108 LEU CB C 108 39.650 40.161 -0.511 1
1 990 . 20 1 1 A 108 108 LEU N N 108 123.200 125.785 -2.585 1
1 991 . 20 1 1 A 109 109 SER H H 109 8.210 8.185 0.025 1
1 992 . 20 1 1 A 109 109 SER HA H 109 4.370 4.367 0.003 1
1 995 . 20 1 1 A 109 109 SER CA C 109 55.810 58.995 -3.185 1
1 996 . 20 1 1 A 109 109 SER CB C 109 61.240 64.582 -3.342 1
1 997 . 20 1 1 A 109 109 SER N N 109 114.710 112.762 1.948 1
1 998 . 20 1 1 A 110 110 ASP H H 110 8.240 8.316 -0.076 1
1 999 . 20 1 1 A 110 110 ASP HA H 110 4.500 4.309 0.191 1
1 1002 . 20 1 1 A 110 110 ASP CA C 110 52.740 55.449 -2.709 1
1 1003 . 20 1 1 A 110 110 ASP CB C 110 38.260 40.623 -2.363 1
1 1004 . 20 1 1 A 110 110 ASP N N 110 121.030 120.646 0.384 1
1 1005 . 20 1 1 A 111 111 ASP H H 111 8.210 7.635 0.575 1
1 1006 . 20 1 1 A 111 111 ASP HA H 111 4.500 4.804 -0.304 1
1 1009 . 20 1 1 A 111 111 ASP CA C 111 52.770 54.246 -1.476 1
1 1010 . 20 1 1 A 111 111 ASP CB C 111 38.290 42.712 -4.422 1
1 1011 . 20 1 1 A 111 111 ASP N N 111 118.910 115.809 3.101 1
1 1012 . 20 1 1 A 112 112 ALA H H 112 8.050 8.228 -0.178 1
1 1013 . 20 1 1 A 112 112 ALA HA H 112 4.170 3.925 0.245 1
1 1017 . 20 1 1 A 112 112 ALA CA C 112 50.710 52.891 -2.181 1
1 1018 . 20 1 1 A 112 112 ALA CB C 112 16.110 17.444 -1.334 1
1 1019 . 20 1 1 A 112 112 ALA N N 112 121.600 120.556 1.044 1
1 1020 . 20 1 1 A 113 113 ARG H H 113 7.960 7.543 0.417 1
1 1021 . 20 1 1 A 113 113 ARG HA H 113 4.030 4.270 -0.240 1
1 1027 . 20 1 1 A 113 113 ARG CA C 113 55.200 57.373 -2.173 1
1 1028 . 20 1 1 A 113 113 ARG CB C 113 27.730 31.064 -3.334 1
1 1031 . 20 1 1 A 113 113 ARG N N 113 116.640 117.752 -1.112 1
1 1032 . 20 1 1 A 114 114 ARG H H 114 7.930 8.956 -1.026 1
1 1033 . 20 1 1 A 114 114 ARG HA H 114 4.000 4.527 -0.527 1
1 1040 . 20 1 1 A 114 114 ARG CA C 114 53.940 56.405 -2.465 1
1 1041 . 20 1 1 A 114 114 ARG CB C 114 30.550 30.940 -0.390 1
1 1044 . 20 1 1 A 114 114 ARG N N 114 116.380 124.365 -7.985 1
1 1045 . 20 1 1 A 115 115 LEU H H 115 8.000 7.672 0.328 1
1 1046 . 20 1 1 A 115 115 LEU HA H 115 4.320 4.413 -0.093 1
1 1056 . 20 1 1 A 115 115 LEU CA C 115 52.870 55.684 -2.814 1
1 1057 . 20 1 1 A 115 115 LEU CB C 115 39.640 44.071 -4.431 1
1 1061 . 20 1 1 A 115 115 LEU N N 115 120.260 119.090 1.170 1
1 1062 . 20 1 1 A 116 116 THR H H 116 7.970 7.878 0.092 1
1 1063 . 20 1 1 A 116 116 THR HA H 116 4.390 4.384 0.006 1
1 1068 . 20 1 1 A 116 116 THR CA C 116 59.270 64.345 -5.075 1
1 1069 . 20 1 1 A 116 116 THR CB C 116 67.420 69.320 -1.900 1
1 1071 . 20 1 1 A 116 116 THR N N 116 113.250 112.477 0.773 1
1 1072 . 20 1 1 A 117 117 VAL H H 117 8.070 8.092 -0.022 1
1 1073 . 20 1 1 A 117 117 VAL HA H 117 4.330 3.999 0.331 1
1 1078 . 20 1 1 A 117 117 VAL CA C 117 60.230 65.139 -4.909 1
1 1079 . 20 1 1 A 117 117 VAL CB C 117 30.360 31.744 -1.384 1
1 1081 . 20 1 1 A 117 117 VAL N N 117 120.990 119.534 1.456 1
1 1082 . 20 1 1 A 118 118 THR H H 118 8.210 8.045 0.165 1
1 1083 . 20 1 1 A 118 118 THR HA H 118 4.380 3.942 0.438 1
1 1088 . 20 1 1 A 118 118 THR CA C 118 58.770 63.117 -4.347 1
1 1089 . 20 1 1 A 118 118 THR CB C 118 67.420 67.716 -0.296 1
1 1091 . 20 1 1 A 118 118 THR N N 118 116.420 116.370 0.050 1
1 1098 . 20 2 2 B 6 6 GLU H H 6 8.780 8.093 0.687 1
1 1099 . 20 2 2 B 6 6 GLU HA H 6 4.160 3.892 0.268 1
1 1104 . 20 2 2 B 8 8 ARG H H 8 8.200 8.431 -0.231 1
1 1105 . 20 2 2 B 8 8 ARG HA H 8 4.210 4.906 -0.696 1
1 1111 . 20 2 2 B 9 9 VAL H H 9 9.000 8.509 0.491 1
1 1112 . 20 2 2 B 9 9 VAL HA H 9 4.070 4.136 -0.066 1
1 1123 . 20 2 2 B 11 11 SER H H 11 8.490 8.844 -0.354 1
1 1126 . 20 2 2 B 12 12 SER HA H 12 4.410 5.268 -0.858 1
1 1129 . 20 2 2 B 13 13 VAL H H 13 8.800 8.801 -0.001 1
1 1130 . 20 2 2 B 13 13 VAL HA H 13 4.010 4.897 -0.887 1
1 1138 . 20 2 2 B 14 14 PHE HA H 14 4.620 5.112 -0.492 1
1 1143 . 20 2 2 B 15 15 ILE H H 15 8.710 8.806 -0.096 1
1 1144 . 20 2 2 B 15 15 ILE HA H 15 4.140 4.642 -0.502 1
1 1154 . 20 2 2 B 16 16 THR HA H 16 4.220 5.025 -0.805 1
1 1159 . 20 2 2 B 17 17 LEU H H 17 8.270 8.830 -0.560 1
1 1160 . 20 2 2 B 17 17 LEU HA H 17 4.130 5.142 -1.012 1
1 1170 . 20 2 2 B 18 18 ALA HA H 18 4.500 4.973 -0.473 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 113 3.222 1
3 1 1 1 "RMS(OBS, PRED)" CB 99 2.813 1
4 1 1 1 "RMS(OBS, PRED)" H 107 0.535 1
5 1 1 1 "RMS(OBS, PRED)" HA 124 0.385 1
6 1 1 1 "RMS(OBS, PRED)" N 107 3.794 1
7 1 1 2 "RMS(OBS, PRED)" C 0 0.000 1
8 1 1 2 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 1 2 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 1 2 "RMS(OBS, PRED)" H 7 0.340 1
11 1 1 2 "RMS(OBS, PRED)" HA 10 0.599 1
12 1 1 2 "RMS(OBS, PRED)" N 0 0.000 1
13 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 2 1 "RMS(OBS, PRED)" CA 113 3.187 1
15 1 2 1 "RMS(OBS, PRED)" CB 99 2.894 1
16 1 2 1 "RMS(OBS, PRED)" H 107 0.635 1
17 1 2 1 "RMS(OBS, PRED)" HA 124 0.397 1
18 1 2 1 "RMS(OBS, PRED)" N 107 4.156 1
19 1 2 2 "RMS(OBS, PRED)" C 0 0.000 1
20 1 2 2 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 2 2 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 2 2 "RMS(OBS, PRED)" H 7 0.426 1
23 1 2 2 "RMS(OBS, PRED)" HA 10 0.669 1
24 1 2 2 "RMS(OBS, PRED)" N 0 0.000 1
25 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 3 1 "RMS(OBS, PRED)" CA 113 3.220 1
27 1 3 1 "RMS(OBS, PRED)" CB 99 2.876 1
28 1 3 1 "RMS(OBS, PRED)" H 107 0.581 1
29 1 3 1 "RMS(OBS, PRED)" HA 124 0.429 1
30 1 3 1 "RMS(OBS, PRED)" N 107 4.303 1
31 1 3 2 "RMS(OBS, PRED)" C 0 0.000 1
32 1 3 2 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 3 2 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 3 2 "RMS(OBS, PRED)" H 7 0.444 1
35 1 3 2 "RMS(OBS, PRED)" HA 10 0.663 1
36 1 3 2 "RMS(OBS, PRED)" N 0 0.000 1
37 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 4 1 "RMS(OBS, PRED)" CA 113 3.261 1
39 1 4 1 "RMS(OBS, PRED)" CB 99 2.974 1
40 1 4 1 "RMS(OBS, PRED)" H 107 0.571 1
41 1 4 1 "RMS(OBS, PRED)" HA 124 0.413 1
42 1 4 1 "RMS(OBS, PRED)" N 107 3.962 1
43 1 4 2 "RMS(OBS, PRED)" C 0 0.000 1
44 1 4 2 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 4 2 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 4 2 "RMS(OBS, PRED)" H 7 0.605 1
47 1 4 2 "RMS(OBS, PRED)" HA 10 0.693 1
48 1 4 2 "RMS(OBS, PRED)" N 0 0.000 1
49 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 5 1 "RMS(OBS, PRED)" CA 113 3.208 1
51 1 5 1 "RMS(OBS, PRED)" CB 99 2.799 1
52 1 5 1 "RMS(OBS, PRED)" H 107 0.637 1
53 1 5 1 "RMS(OBS, PRED)" HA 124 0.388 1
54 1 5 1 "RMS(OBS, PRED)" N 107 3.918 1
55 1 5 2 "RMS(OBS, PRED)" C 0 0.000 1
56 1 5 2 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 5 2 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 5 2 "RMS(OBS, PRED)" H 7 0.735 1
59 1 5 2 "RMS(OBS, PRED)" HA 10 0.693 1
60 1 5 2 "RMS(OBS, PRED)" N 0 0.000 1
61 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 6 1 "RMS(OBS, PRED)" CA 113 3.265 1
63 1 6 1 "RMS(OBS, PRED)" CB 99 2.731 1
64 1 6 1 "RMS(OBS, PRED)" H 107 0.573 1
65 1 6 1 "RMS(OBS, PRED)" HA 124 0.408 1
66 1 6 1 "RMS(OBS, PRED)" N 107 4.123 1
67 1 6 2 "RMS(OBS, PRED)" C 0 0.000 1
68 1 6 2 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 6 2 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 6 2 "RMS(OBS, PRED)" H 7 0.388 1
71 1 6 2 "RMS(OBS, PRED)" HA 10 0.671 1
72 1 6 2 "RMS(OBS, PRED)" N 0 0.000 1
73 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 7 1 "RMS(OBS, PRED)" CA 113 3.212 1
75 1 7 1 "RMS(OBS, PRED)" CB 99 2.894 1
76 1 7 1 "RMS(OBS, PRED)" H 107 0.587 1
77 1 7 1 "RMS(OBS, PRED)" HA 124 0.423 1
78 1 7 1 "RMS(OBS, PRED)" N 107 3.875 1
79 1 7 2 "RMS(OBS, PRED)" C 0 0.000 1
80 1 7 2 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 7 2 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 7 2 "RMS(OBS, PRED)" H 7 0.387 1
83 1 7 2 "RMS(OBS, PRED)" HA 10 0.689 1
84 1 7 2 "RMS(OBS, PRED)" N 0 0.000 1
85 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 8 1 "RMS(OBS, PRED)" CA 113 3.155 1
87 1 8 1 "RMS(OBS, PRED)" CB 99 2.806 1
88 1 8 1 "RMS(OBS, PRED)" H 107 0.561 1
89 1 8 1 "RMS(OBS, PRED)" HA 124 0.389 1
90 1 8 1 "RMS(OBS, PRED)" N 107 4.091 1
91 1 8 2 "RMS(OBS, PRED)" C 0 0.000 1
92 1 8 2 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 8 2 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 8 2 "RMS(OBS, PRED)" H 7 0.452 1
95 1 8 2 "RMS(OBS, PRED)" HA 10 0.602 1
96 1 8 2 "RMS(OBS, PRED)" N 0 0.000 1
97 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 9 1 "RMS(OBS, PRED)" CA 113 3.140 1
99 1 9 1 "RMS(OBS, PRED)" CB 99 2.822 1
100 1 9 1 "RMS(OBS, PRED)" H 107 0.561 1
101 1 9 1 "RMS(OBS, PRED)" HA 124 0.404 1
102 1 9 1 "RMS(OBS, PRED)" N 107 3.826 1
103 1 9 2 "RMS(OBS, PRED)" C 0 0.000 1
104 1 9 2 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 9 2 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 9 2 "RMS(OBS, PRED)" H 7 0.387 1
107 1 9 2 "RMS(OBS, PRED)" HA 10 0.747 1
108 1 9 2 "RMS(OBS, PRED)" N 0 0.000 1
109 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 10 1 "RMS(OBS, PRED)" CA 113 3.118 1
111 1 10 1 "RMS(OBS, PRED)" CB 99 2.770 1
112 1 10 1 "RMS(OBS, PRED)" H 107 0.622 1
113 1 10 1 "RMS(OBS, PRED)" HA 124 0.387 1
114 1 10 1 "RMS(OBS, PRED)" N 107 4.221 1
115 1 10 2 "RMS(OBS, PRED)" C 0 0.000 1
116 1 10 2 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 10 2 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 10 2 "RMS(OBS, PRED)" H 7 0.403 1
119 1 10 2 "RMS(OBS, PRED)" HA 10 0.645 1
120 1 10 2 "RMS(OBS, PRED)" N 0 0.000 1
121 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
122 1 11 1 "RMS(OBS, PRED)" CA 113 3.206 1
123 1 11 1 "RMS(OBS, PRED)" CB 99 2.829 1
124 1 11 1 "RMS(OBS, PRED)" H 107 0.593 1
125 1 11 1 "RMS(OBS, PRED)" HA 124 0.424 1
126 1 11 1 "RMS(OBS, PRED)" N 107 3.691 1
127 1 11 2 "RMS(OBS, PRED)" C 0 0.000 1
128 1 11 2 "RMS(OBS, PRED)" CA 0 0.000 1
129 1 11 2 "RMS(OBS, PRED)" CB 0 0.000 1
130 1 11 2 "RMS(OBS, PRED)" H 7 0.459 1
131 1 11 2 "RMS(OBS, PRED)" HA 10 0.683 1
132 1 11 2 "RMS(OBS, PRED)" N 0 0.000 1
133 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
134 1 12 1 "RMS(OBS, PRED)" CA 113 3.199 1
135 1 12 1 "RMS(OBS, PRED)" CB 99 2.966 1
136 1 12 1 "RMS(OBS, PRED)" H 107 0.567 1
137 1 12 1 "RMS(OBS, PRED)" HA 124 0.427 1
138 1 12 1 "RMS(OBS, PRED)" N 107 3.944 1
139 1 12 2 "RMS(OBS, PRED)" C 0 0.000 1
140 1 12 2 "RMS(OBS, PRED)" CA 0 0.000 1
141 1 12 2 "RMS(OBS, PRED)" CB 0 0.000 1
142 1 12 2 "RMS(OBS, PRED)" H 7 0.332 1
143 1 12 2 "RMS(OBS, PRED)" HA 10 0.659 1
144 1 12 2 "RMS(OBS, PRED)" N 0 0.000 1
145 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
146 1 13 1 "RMS(OBS, PRED)" CA 113 3.227 1
147 1 13 1 "RMS(OBS, PRED)" CB 99 2.905 1
148 1 13 1 "RMS(OBS, PRED)" H 107 0.582 1
149 1 13 1 "RMS(OBS, PRED)" HA 124 0.405 1
150 1 13 1 "RMS(OBS, PRED)" N 107 4.259 1
151 1 13 2 "RMS(OBS, PRED)" C 0 0.000 1
152 1 13 2 "RMS(OBS, PRED)" CA 0 0.000 1
153 1 13 2 "RMS(OBS, PRED)" CB 0 0.000 1
154 1 13 2 "RMS(OBS, PRED)" H 7 0.458 1
155 1 13 2 "RMS(OBS, PRED)" HA 10 0.719 1
156 1 13 2 "RMS(OBS, PRED)" N 0 0.000 1
157 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
158 1 14 1 "RMS(OBS, PRED)" CA 113 3.159 1
159 1 14 1 "RMS(OBS, PRED)" CB 99 2.843 1
160 1 14 1 "RMS(OBS, PRED)" H 107 0.573 1
161 1 14 1 "RMS(OBS, PRED)" HA 124 0.384 1
162 1 14 1 "RMS(OBS, PRED)" N 107 4.169 1
163 1 14 2 "RMS(OBS, PRED)" C 0 0.000 1
164 1 14 2 "RMS(OBS, PRED)" CA 0 0.000 1
165 1 14 2 "RMS(OBS, PRED)" CB 0 0.000 1
166 1 14 2 "RMS(OBS, PRED)" H 7 0.497 1
167 1 14 2 "RMS(OBS, PRED)" HA 10 0.751 1
168 1 14 2 "RMS(OBS, PRED)" N 0 0.000 1
169 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
170 1 15 1 "RMS(OBS, PRED)" CA 113 3.188 1
171 1 15 1 "RMS(OBS, PRED)" CB 99 2.930 1
172 1 15 1 "RMS(OBS, PRED)" H 107 0.591 1
173 1 15 1 "RMS(OBS, PRED)" HA 124 0.412 1
174 1 15 1 "RMS(OBS, PRED)" N 107 4.052 1
175 1 15 2 "RMS(OBS, PRED)" C 0 0.000 1
176 1 15 2 "RMS(OBS, PRED)" CA 0 0.000 1
177 1 15 2 "RMS(OBS, PRED)" CB 0 0.000 1
178 1 15 2 "RMS(OBS, PRED)" H 7 0.467 1
179 1 15 2 "RMS(OBS, PRED)" HA 10 0.694 1
180 1 15 2 "RMS(OBS, PRED)" N 0 0.000 1
181 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
182 1 16 1 "RMS(OBS, PRED)" CA 113 3.232 1
183 1 16 1 "RMS(OBS, PRED)" CB 99 2.848 1
184 1 16 1 "RMS(OBS, PRED)" H 107 0.581 1
185 1 16 1 "RMS(OBS, PRED)" HA 124 0.437 1
186 1 16 1 "RMS(OBS, PRED)" N 107 4.148 1
187 1 16 2 "RMS(OBS, PRED)" C 0 0.000 1
188 1 16 2 "RMS(OBS, PRED)" CA 0 0.000 1
189 1 16 2 "RMS(OBS, PRED)" CB 0 0.000 1
190 1 16 2 "RMS(OBS, PRED)" H 7 0.430 1
191 1 16 2 "RMS(OBS, PRED)" HA 10 0.670 1
192 1 16 2 "RMS(OBS, PRED)" N 0 0.000 1
193 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
194 1 17 1 "RMS(OBS, PRED)" CA 113 3.154 1
195 1 17 1 "RMS(OBS, PRED)" CB 99 3.018 1
196 1 17 1 "RMS(OBS, PRED)" H 107 0.601 1
197 1 17 1 "RMS(OBS, PRED)" HA 124 0.408 1
198 1 17 1 "RMS(OBS, PRED)" N 107 4.074 1
199 1 17 2 "RMS(OBS, PRED)" C 0 0.000 1
200 1 17 2 "RMS(OBS, PRED)" CA 0 0.000 1
201 1 17 2 "RMS(OBS, PRED)" CB 0 0.000 1
202 1 17 2 "RMS(OBS, PRED)" H 7 0.464 1
203 1 17 2 "RMS(OBS, PRED)" HA 10 0.639 1
204 1 17 2 "RMS(OBS, PRED)" N 0 0.000 1
205 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
206 1 18 1 "RMS(OBS, PRED)" CA 113 3.158 1
207 1 18 1 "RMS(OBS, PRED)" CB 99 2.943 1
208 1 18 1 "RMS(OBS, PRED)" H 107 0.569 1
209 1 18 1 "RMS(OBS, PRED)" HA 124 0.392 1
210 1 18 1 "RMS(OBS, PRED)" N 107 3.998 1
211 1 18 2 "RMS(OBS, PRED)" C 0 0.000 1
212 1 18 2 "RMS(OBS, PRED)" CA 0 0.000 1
213 1 18 2 "RMS(OBS, PRED)" CB 0 0.000 1
214 1 18 2 "RMS(OBS, PRED)" H 7 0.473 1
215 1 18 2 "RMS(OBS, PRED)" HA 10 0.703 1
216 1 18 2 "RMS(OBS, PRED)" N 0 0.000 1
217 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
218 1 19 1 "RMS(OBS, PRED)" CA 113 3.202 1
219 1 19 1 "RMS(OBS, PRED)" CB 99 2.842 1
220 1 19 1 "RMS(OBS, PRED)" H 107 0.535 1
221 1 19 1 "RMS(OBS, PRED)" HA 124 0.404 1
222 1 19 1 "RMS(OBS, PRED)" N 107 3.937 1
223 1 19 2 "RMS(OBS, PRED)" C 0 0.000 1
224 1 19 2 "RMS(OBS, PRED)" CA 0 0.000 1
225 1 19 2 "RMS(OBS, PRED)" CB 0 0.000 1
226 1 19 2 "RMS(OBS, PRED)" H 7 0.390 1
227 1 19 2 "RMS(OBS, PRED)" HA 10 0.650 1
228 1 19 2 "RMS(OBS, PRED)" N 0 0.000 1
229 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
230 1 20 1 "RMS(OBS, PRED)" CA 113 3.177 1
231 1 20 1 "RMS(OBS, PRED)" CB 99 2.827 1
232 1 20 1 "RMS(OBS, PRED)" H 107 0.593 1
233 1 20 1 "RMS(OBS, PRED)" HA 124 0.388 1
234 1 20 1 "RMS(OBS, PRED)" N 107 3.986 1
235 1 20 2 "RMS(OBS, PRED)" C 0 0.000 1
236 1 20 2 "RMS(OBS, PRED)" CA 0 0.000 1
237 1 20 2 "RMS(OBS, PRED)" CB 0 0.000 1
238 1 20 2 "RMS(OBS, PRED)" H 7 0.450 1
239 1 20 2 "RMS(OBS, PRED)" HA 10 0.705 1
240 1 20 2 "RMS(OBS, PRED)" N 0 0.000 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 4 . 1 1 A 2 2 ILE H H 2 8.800 8.245 0.555 2
1 5 . 1 1 A 2 2 ILE N N 2 126.630 119.433 7.197 2
1 6 . 1 1 A 3 3 PRO HA H 3 4.360 4.309 0.051 2
1 13 . 1 1 A 3 3 PRO CA C 3 60.670 66.190 -5.520 2
1 14 . 1 1 A 3 3 PRO CB C 3 29.390 31.287 -1.897 2
1 17 . 1 1 A 4 4 GLU H H 4 8.270 8.172 0.098 2
1 18 . 1 1 A 4 4 GLU HA H 4 4.360 4.193 0.167 2
1 23 . 1 1 A 4 4 GLU CA C 4 53.690 58.184 -4.494 2
1 24 . 1 1 A 4 4 GLU CB C 4 29.430 29.320 0.110 2
1 26 . 1 1 A 4 4 GLU N N 4 119.290 118.079 1.211 2
1 27 . 1 1 A 5 5 PHE H H 5 8.810 8.446 0.364 2
1 28 . 1 1 A 5 5 PHE N N 5 126.600 117.143 9.457 2
1 33 . 1 1 A 6 6 PHE CA C 6 54.920 58.679 -3.759 2
1 34 . 1 1 A 6 6 PHE CB C 6 37.190 39.414 -2.224 2
1 35 . 1 1 A 6 6 PHE N N 6 120.380 118.409 1.971 2
1 36 . 1 1 A 7 7 GLN H H 7 7.980 9.043 -1.063 2
1 37 . 1 1 A 7 7 GLN HA H 7 4.430 4.205 0.225 2
1 42 . 1 1 A 7 7 GLN CA C 7 54.860 57.336 -2.476 2
1 43 . 1 1 A 7 7 GLN CB C 7 26.570 28.166 -1.596 2
1 45 . 1 1 A 7 7 GLN N N 7 119.930 119.025 0.905 2
1 50 . 1 1 A 8 8 PHE CA C 8 55.020 59.027 -4.007 2
1 51 . 1 1 A 8 8 PHE CB C 8 36.840 41.674 -4.834 2
1 52 . 1 1 A 8 8 PHE N N 8 119.560 118.965 0.596 2
1 59 . 1 1 A 9 9 THR CA C 9 59.410 62.590 -3.180 2
1 60 . 1 1 A 9 9 THR CB C 9 67.440 68.882 -1.442 2
1 62 . 1 1 A 9 9 THR N N 9 114.650 112.959 1.691 2
1 63 . 1 1 A 10 10 VAL H H 10 8.070 7.997 0.073 2
1 64 . 1 1 A 10 10 VAL HA H 10 4.210 3.861 0.349 2
1 72 . 1 1 A 10 10 VAL CA C 10 59.470 64.893 -5.423 2
1 73 . 1 1 A 10 10 VAL CB C 10 30.180 32.362 -2.182 2
1 75 . 1 1 A 10 10 VAL N N 10 120.380 121.930 -1.550 2
1 77 . 1 1 A 11 11 GLY HA2 H 11 4.090 4.017 0.073 2
1 78 . 1 1 A 11 11 GLY HA3 H 11 4.000 4.028 -0.028 2
1 79 . 1 1 A 11 11 GLY CA C 11 41.420 45.562 -4.143 2
1 80 . 1 1 A 11 11 GLY N N 11 110.910 109.200 1.710 2
1 88 . 1 1 A 12 12 PRO CA C 12 60.590 63.175 -2.585 2
1 89 . 1 1 A 12 12 PRO CB C 12 33.600 30.895 2.705 2
1 103 . 1 1 A 13 13 LEU CA C 13 52.800 55.459 -2.659 2
1 104 . 1 1 A 13 13 LEU CB C 13 39.650 39.809 -0.159 2
1 108 . 1 1 A 13 13 LEU N N 13 120.390 118.072 2.318 2
1 109 . 1 1 A 14 14 GLY H H 14 8.240 8.318 -0.078 2
1 110 . 1 1 A 14 14 GLY HA2 H 14 3.960 3.866 0.094 2
1 111 . 1 1 A 14 14 GLY HA3 H 14 3.660 3.910 -0.250 2
1 112 . 1 1 A 14 14 GLY CA C 14 40.240 45.352 -5.112 2
1 113 . 1 1 A 14 14 GLY N N 14 107.860 108.212 -0.352 2
1 120 . 1 1 A 15 15 GLU CA C 15 53.920 57.602 -3.682 2
1 121 . 1 1 A 15 15 GLU CB C 15 27.800 28.865 -1.065 2
1 123 . 1 1 A 15 15 GLU N N 15 118.800 119.567 -0.767 2
1 124 . 1 1 A 16 16 GLY H H 16 8.460 8.519 -0.059 2
1 125 . 1 1 A 16 16 GLY HA2 H 16 3.960 4.044 -0.084 2
1 126 . 1 1 A 16 16 GLY HA3 H 16 3.880 4.057 -0.177 2
1 127 . 1 1 A 16 16 GLY CA C 16 42.490 45.136 -2.646 2
1 128 . 1 1 A 16 16 GLY N N 16 108.190 107.115 1.075 2
1 130 . 1 1 A 17 17 GLY HA2 H 17 4.430 3.998 0.432 2
1 131 . 1 1 A 17 17 GLY HA3 H 17 3.780 4.111 -0.331 2
1 132 . 1 1 A 17 17 GLY CA C 17 42.550 46.219 -3.669 2
1 133 . 1 1 A 17 17 GLY N N 17 105.790 112.875 -7.085 2
1 134 . 1 1 A 18 18 ALA H H 18 8.800 8.484 0.316 2
1 139 . 1 1 A 18 18 ALA CA C 18 52.780 54.246 -1.466 2
1 140 . 1 1 A 18 18 ALA CB C 18 16.810 18.493 -1.683 2
1 141 . 1 1 A 18 18 ALA N N 18 120.770 124.389 -3.619 2
1 142 . 1 1 A 19 19 HIS H H 19 8.230 7.873 0.357 2
1 143 . 1 1 A 19 19 HIS HA H 19 4.410 4.298 0.112 2
1 146 . 1 1 A 19 19 HIS CA C 19 54.740 58.603 -3.863 2
1 147 . 1 1 A 19 19 HIS CB C 19 26.240 30.364 -4.124 2
1 148 . 1 1 A 19 19 HIS N N 19 109.490 118.540 -9.050 2
1 149 . 1 1 A 20 20 LYS H H 20 7.570 8.340 -0.770 2
1 150 . 1 1 A 20 20 LYS HA H 20 4.170 4.071 0.099 2
1 159 . 1 1 A 20 20 LYS CA C 20 52.100 57.385 -5.285 2
1 160 . 1 1 A 20 20 LYS CB C 20 29.850 32.670 -2.820 2
1 164 . 1 1 A 20 20 LYS N N 20 115.920 115.400 0.520 2
1 165 . 1 1 A 21 21 VAL H H 21 7.460 7.549 -0.089 2
1 166 . 1 1 A 21 21 VAL HA H 21 4.270 3.856 0.414 2
1 174 . 1 1 A 21 21 VAL CA C 21 60.730 62.230 -1.500 2
1 175 . 1 1 A 21 21 VAL CB C 21 29.340 31.882 -2.542 2
1 178 . 1 1 A 21 21 VAL N N 21 122.030 121.675 0.355 2
1 179 . 1 1 A 22 22 ARG H H 22 7.840 8.547 -0.707 2
1 180 . 1 1 A 22 22 ARG HA H 22 5.100 5.027 0.073 2
1 187 . 1 1 A 22 22 ARG CA C 22 51.230 54.416 -3.186 2
1 188 . 1 1 A 22 22 ARG CB C 22 31.930 32.435 -0.505 2
1 191 . 1 1 A 22 22 ARG N N 22 121.520 129.555 -8.035 2
1 192 . 1 1 A 23 23 ALA H H 23 8.920 8.805 0.115 2
1 193 . 1 1 A 23 23 ALA HA H 23 5.580 5.385 0.195 2
1 197 . 1 1 A 23 23 ALA CA C 23 47.810 51.242 -3.432 2
1 198 . 1 1 A 23 23 ALA CB C 23 21.660 21.643 0.017 2
1 199 . 1 1 A 23 23 ALA N N 23 123.300 127.634 -4.334 2
1 200 . 1 1 A 24 24 GLY H H 24 8.450 8.424 0.026 2
1 201 . 1 1 A 24 24 GLY HA2 H 24 4.200 4.313 -0.113 2
1 202 . 1 1 A 24 24 GLY HA3 H 24 4.160 4.329 -0.169 2
1 203 . 1 1 A 24 24 GLY CA C 24 43.560 45.135 -1.574 2
1 204 . 1 1 A 24 24 GLY N N 24 104.220 109.478 -5.258 2
1 205 . 1 1 A 25 25 GLY H H 25 8.770 8.417 0.353 2
1 206 . 1 1 A 25 25 GLY HA2 H 25 4.880 4.310 0.570 2
1 207 . 1 1 A 25 25 GLY HA3 H 25 4.050 4.401 -0.351 2
1 208 . 1 1 A 25 25 GLY CA C 25 42.110 45.979 -3.869 2
1 209 . 1 1 A 25 25 GLY N N 25 109.590 110.178 -0.588 2
1 210 . 1 1 A 26 26 THR H H 26 8.620 8.862 -0.242 2
1 211 . 1 1 A 26 26 THR HA H 26 4.030 4.120 -0.090 2
1 216 . 1 1 A 26 26 THR CA C 26 63.280 65.425 -2.145 2
1 217 . 1 1 A 26 26 THR CB C 26 65.990 68.892 -2.902 2
1 219 . 1 1 A 26 26 THR N N 26 113.050 113.393 -0.343 2
1 220 . 1 1 A 27 27 GLY H H 27 9.040 8.274 0.766 2
1 221 . 1 1 A 27 27 GLY HA2 H 27 4.270 4.117 0.153 2
1 222 . 1 1 A 27 27 GLY HA3 H 27 3.390 4.257 -0.867 2
1 223 . 1 1 A 27 27 GLY CA C 27 44.250 46.607 -2.357 2
1 224 . 1 1 A 27 27 GLY N N 27 105.190 109.892 -4.702 2
1 225 . 1 1 A 28 28 LEU H H 28 7.450 7.886 -0.436 2
1 226 . 1 1 A 28 28 LEU HA H 28 4.210 4.228 -0.018 2
1 236 . 1 1 A 28 28 LEU CA C 28 51.150 54.993 -3.844 2
1 237 . 1 1 A 28 28 LEU CB C 28 37.670 41.668 -3.998 2
1 241 . 1 1 A 28 28 LEU N N 28 114.980 120.610 -5.630 2
1 242 . 1 1 A 29 29 GLU H H 29 7.980 7.774 0.206 2
1 243 . 1 1 A 29 29 GLU HA H 29 4.540 4.425 0.115 2
1 248 . 1 1 A 29 29 GLU CA C 29 54.910 57.627 -2.717 2
1 249 . 1 1 A 29 29 GLU CB C 29 29.430 31.811 -2.381 2
1 251 . 1 1 A 29 29 GLU N N 29 117.810 117.164 0.646 2
1 252 . 1 1 A 30 30 ARG H H 30 8.340 7.381 0.959 2
1 253 . 1 1 A 30 30 ARG HA H 30 4.720 4.774 -0.054 2
1 260 . 1 1 A 30 30 ARG CA C 30 53.350 54.900 -1.550 2
1 261 . 1 1 A 30 30 ARG CB C 30 29.440 33.186 -3.746 2
1 264 . 1 1 A 30 30 ARG N N 30 112.890 115.582 -2.692 2
1 265 . 1 1 A 31 31 GLY H H 31 8.100 8.034 0.066 2
1 266 . 1 1 A 31 31 GLY HA2 H 31 4.540 4.412 0.128 2
1 267 . 1 1 A 31 31 GLY HA3 H 31 3.610 4.429 -0.819 2
1 268 . 1 1 A 31 31 GLY CA C 31 41.630 45.283 -3.653 2
1 269 . 1 1 A 31 31 GLY N N 31 103.670 106.982 -3.312 2
1 270 . 1 1 A 32 32 VAL H H 32 9.410 8.517 0.893 2
1 271 . 1 1 A 32 32 VAL HA H 32 4.450 5.120 -0.670 2
1 279 . 1 1 A 32 32 VAL CA C 32 58.730 59.992 -1.262 2
1 280 . 1 1 A 32 32 VAL CB C 32 32.560 35.741 -3.181 2
1 283 . 1 1 A 32 32 VAL N N 32 122.160 120.413 1.747 2
1 284 . 1 1 A 33 33 ALA H H 33 8.560 8.518 0.042 2
1 285 . 1 1 A 33 33 ALA HA H 33 3.620 3.975 -0.355 2
1 289 . 1 1 A 33 33 ALA CA C 33 50.860 53.976 -3.116 2
1 290 . 1 1 A 33 33 ALA CB C 33 14.450 18.544 -4.094 2
1 291 . 1 1 A 33 33 ALA N N 33 129.490 129.200 0.290 2
1 292 . 1 1 A 34 34 GLY H H 34 8.590 8.800 -0.210 2
1 293 . 1 1 A 34 34 GLY HA2 H 34 4.320 3.874 0.446 2
1 294 . 1 1 A 34 34 GLY HA3 H 34 3.420 3.883 -0.463 2
1 295 . 1 1 A 34 34 GLY CA C 34 42.710 47.001 -4.290 2
1 296 . 1 1 A 34 34 GLY N N 34 106.900 111.670 -4.770 2
1 297 . 1 1 A 35 35 VAL H H 35 7.840 7.384 0.456 2
1 298 . 1 1 A 35 35 VAL HA H 35 4.450 4.408 0.042 2
1 306 . 1 1 A 35 35 VAL CA C 35 56.660 58.901 -2.241 2
1 307 . 1 1 A 35 35 VAL CB C 35 32.030 34.740 -2.711 2
1 310 . 1 1 A 35 35 VAL N N 35 121.520 119.534 1.986 2
1 311 . 1 1 A 36 36 PRO HA H 36 4.260 4.394 -0.134 2
1 318 . 1 1 A 36 36 PRO CA C 36 60.720 62.778 -2.058 2
1 319 . 1 1 A 36 36 PRO CB C 36 28.760 31.933 -3.172 2
1 322 . 1 1 A 37 37 ALA H H 37 8.920 7.958 0.962 2
1 323 . 1 1 A 37 37 ALA HA H 37 4.490 4.931 -0.441 2
1 327 . 1 1 A 37 37 ALA CA C 37 47.550 50.466 -2.916 2
1 328 . 1 1 A 37 37 ALA CB C 37 17.110 22.851 -5.741 2
1 329 . 1 1 A 37 37 ALA N N 37 129.160 124.119 5.041 2
1 330 . 1 1 A 38 38 GLU H H 38 8.470 8.975 -0.505 2
1 331 . 1 1 A 38 38 GLU HA H 38 4.330 5.363 -1.033 2
1 336 . 1 1 A 38 38 GLU CA C 38 52.150 55.414 -3.264 2
1 337 . 1 1 A 38 38 GLU CB C 38 31.010 33.478 -2.468 2
1 339 . 1 1 A 38 38 GLU N N 38 117.150 116.502 0.648 2
1 340 . 1 1 A 39 39 PHE H H 39 8.870 8.307 0.563 2
1 341 . 1 1 A 39 39 PHE HA H 39 4.520 5.371 -0.851 2
1 344 . 1 1 A 39 39 PHE CA C 39 54.670 55.837 -1.167 2
1 345 . 1 1 A 39 39 PHE CB C 39 37.170 41.431 -4.261 2
1 346 . 1 1 A 39 39 PHE N N 39 115.740 117.900 -2.160 2
1 347 . 1 1 A 40 40 SER H H 40 8.870 8.563 0.307 2
1 348 . 1 1 A 40 40 SER HA H 40 5.420 5.315 0.105 2
1 351 . 1 1 A 40 40 SER CA C 40 54.890 56.876 -1.986 2
1 352 . 1 1 A 40 40 SER CB C 40 63.790 65.622 -1.832 2
1 353 . 1 1 A 40 40 SER N N 40 113.140 115.148 -2.008 2
1 354 . 1 1 A 41 41 ILE H H 41 8.410 9.110 -0.700 2
1 355 . 1 1 A 41 41 ILE HA H 41 4.670 4.996 -0.326 2
1 365 . 1 1 A 41 41 ILE CA C 41 57.640 60.659 -3.019 2
1 366 . 1 1 A 41 41 ILE CB C 41 38.260 40.403 -2.143 2
1 370 . 1 1 A 41 41 ILE N N 41 118.020 123.426 -5.406 2
1 371 . 1 1 A 42 42 TRP H H 42 9.580 8.614 0.966 2
1 372 . 1 1 A 42 42 TRP HA H 42 4.870 5.375 -0.505 2
1 375 . 1 1 A 42 42 TRP CA C 42 56.240 56.124 0.116 2
1 376 . 1 1 A 42 42 TRP CB C 42 27.690 31.879 -4.189 2
1 377 . 1 1 A 42 42 TRP N N 42 126.430 128.977 -2.547 2
1 378 . 1 1 A 43 43 THR H H 43 8.370 8.442 -0.072 2
1 379 . 1 1 A 43 43 THR HA H 43 3.800 4.401 -0.601 2
1 384 . 1 1 A 43 43 THR CA C 43 59.210 60.543 -1.333 2
1 385 . 1 1 A 43 43 THR CB C 43 67.070 70.409 -3.339 2
1 387 . 1 1 A 43 43 THR N N 43 112.460 118.089 -5.629 2
1 388 . 1 1 A 44 44 ARG HA H 44 3.910 4.320 -0.410 2
1 395 . 1 1 A 44 44 ARG CA C 44 57.190 55.984 1.206 2
1 396 . 1 1 A 44 44 ARG CB C 44 27.710 30.042 -2.332 2
1 399 . 1 1 A 45 45 GLU H H 45 8.260 8.142 0.118 2
1 400 . 1 1 A 45 45 GLU HA H 45 4.160 4.517 -0.357 2
1 405 . 1 1 A 45 45 GLU CA C 45 54.510 58.047 -3.537 2
1 406 . 1 1 A 45 45 GLU CB C 45 27.510 31.421 -3.911 2
1 408 . 1 1 A 45 45 GLU N N 45 113.080 122.669 -9.589 2
1 409 . 1 1 A 46 46 ALA H H 46 7.550 8.190 -0.640 2
1 410 . 1 1 A 46 46 ALA HA H 46 3.870 4.147 -0.277 2
1 414 . 1 1 A 46 46 ALA CA C 46 50.350 54.523 -4.173 2
1 415 . 1 1 A 46 46 ALA CB C 46 18.120 19.710 -1.590 2
1 416 . 1 1 A 46 46 ALA N N 46 119.560 122.116 -2.556 2
1 417 . 1 1 A 47 47 GLY H H 47 7.450 7.454 -0.004 2
1 418 . 1 1 A 47 47 GLY HA2 H 47 4.180 4.113 0.067 2
1 419 . 1 1 A 47 47 GLY HA3 H 47 3.630 4.132 -0.502 2
1 420 . 1 1 A 47 47 GLY CA C 47 41.940 44.775 -2.835 2
1 421 . 1 1 A 47 47 GLY N N 47 102.870 102.535 0.335 2
1 422 . 1 1 A 48 48 ALA H H 48 8.220 8.297 -0.077 2
1 423 . 1 1 A 48 48 ALA HA H 48 4.290 4.518 -0.228 2
1 427 . 1 1 A 48 48 ALA CA C 48 49.360 52.577 -3.217 2
1 428 . 1 1 A 48 48 ALA CB C 48 16.590 19.597 -3.007 2
1 429 . 1 1 A 48 48 ALA N N 48 120.390 123.444 -3.054 2
1 430 . 1 1 A 49 49 GLY H H 49 8.000 8.404 -0.404 2
1 431 . 1 1 A 49 49 GLY HA2 H 49 3.720 3.550 0.170 2
1 432 . 1 1 A 49 49 GLY HA3 H 49 3.720 4.061 -0.340 2
1 433 . 1 1 A 49 49 GLY CA C 49 43.000 45.768 -2.768 2
1 434 . 1 1 A 49 49 GLY N N 49 106.720 107.167 -0.447 2
1 435 . 1 1 A 50 50 GLY H H 50 7.580 7.964 -0.384 2
1 436 . 1 1 A 50 50 GLY N N 50 104.780 108.976 -4.196 2
1 437 . 1 1 A 51 51 LEU HA H 51 5.300 5.221 0.079 2
1 444 . 1 1 A 51 51 LEU CA C 51 50.270 54.002 -3.732 2
1 445 . 1 1 A 51 51 LEU CB C 51 42.930 44.115 -1.185 2
1 448 . 1 1 A 52 52 SER H H 52 9.110 8.432 0.678 2
1 449 . 1 1 A 52 52 SER HA H 52 5.180 5.000 0.180 2
1 452 . 1 1 A 52 52 SER CA C 52 53.700 58.118 -4.418 2
1 453 . 1 1 A 52 52 SER CB C 52 63.000 64.217 -1.217 2
1 454 . 1 1 A 52 52 SER N N 52 117.210 123.369 -6.159 2
1 455 . 1 1 A 53 53 ILE H H 53 8.330 8.754 -0.424 2
1 456 . 1 1 A 53 53 ILE HA H 53 4.930 4.956 -0.026 2
1 466 . 1 1 A 53 53 ILE CA C 53 57.220 60.611 -3.391 2
1 467 . 1 1 A 53 53 ILE CB C 53 37.710 40.594 -2.884 2
1 471 . 1 1 A 53 53 ILE N N 53 124.030 124.904 -0.874 2
1 472 . 1 1 A 54 54 ALA H H 54 8.920 8.598 0.322 2
1 473 . 1 1 A 54 54 ALA HA H 54 5.390 4.939 0.450 2
1 477 . 1 1 A 54 54 ALA CA C 54 47.440 50.474 -3.034 2
1 478 . 1 1 A 54 54 ALA CB C 54 19.810 20.348 -0.538 2
1 479 . 1 1 A 54 54 ALA N N 54 126.530 130.837 -4.307 2
1 480 . 1 1 A 55 55 VAL H H 55 9.010 8.787 0.223 2
1 481 . 1 1 A 55 55 VAL HA H 55 4.830 5.148 -0.318 2
1 489 . 1 1 A 55 55 VAL CA C 55 58.430 60.212 -1.782 2
1 490 . 1 1 A 55 55 VAL CB C 55 31.020 33.609 -2.589 2
1 493 . 1 1 A 55 55 VAL N N 55 119.590 120.028 -0.438 2
1 494 . 1 1 A 56 56 GLU H H 56 9.270 8.890 0.380 2
1 495 . 1 1 A 56 56 GLU HA H 56 4.690 5.258 -0.568 2
1 500 . 1 1 A 56 56 GLU CA C 56 52.000 55.130 -3.130 2
1 501 . 1 1 A 56 56 GLU CB C 56 31.050 33.690 -2.640 2
1 503 . 1 1 A 56 56 GLU N N 56 127.360 124.611 2.749 2
1 504 . 1 1 A 57 57 GLY H H 57 8.620 8.256 0.364 2
1 505 . 1 1 A 57 57 GLY N N 57 108.540 111.580 -3.040 2
1 506 . 1 1 A 58 58 PRO HA H 58 4.480 4.335 0.145 2
1 513 . 1 1 A 58 58 PRO CA C 58 61.850 64.404 -2.554 2
1 514 . 1 1 A 58 58 PRO CB C 58 29.820 32.101 -2.281 2
1 517 . 1 1 A 59 59 SER H H 59 7.200 7.440 -0.240 2
1 518 . 1 1 A 59 59 SER HA H 59 4.620 4.933 -0.313 2
1 521 . 1 1 A 59 59 SER CA C 59 55.050 57.064 -2.014 2
1 522 . 1 1 A 59 59 SER CB C 59 63.650 66.534 -2.884 2
1 523 . 1 1 A 59 59 SER N N 59 106.970 111.720 -4.750 2
1 524 . 1 1 A 60 60 LYS H H 60 8.570 8.438 0.132 2
1 525 . 1 1 A 60 60 LYS HA H 60 4.000 4.750 -0.751 2
1 534 . 1 1 A 60 60 LYS CA C 60 54.090 55.809 -1.719 2
1 535 . 1 1 A 60 60 LYS CB C 60 30.480 32.956 -2.476 2
1 539 . 1 1 A 60 60 LYS N N 60 118.890 122.834 -3.944 2
1 540 . 1 1 A 61 61 ALA H H 61 8.830 8.591 0.239 2
1 541 . 1 1 A 61 61 ALA HA H 61 4.930 4.694 0.235 2
1 545 . 1 1 A 61 61 ALA CA C 61 47.980 52.338 -4.358 2
1 546 . 1 1 A 61 61 ALA CB C 61 17.500 19.306 -1.806 2
1 547 . 1 1 A 61 61 ALA N N 61 127.130 128.708 -1.578 2
1 548 . 1 1 A 62 62 GLU H H 62 8.440 8.350 0.090 2
1 549 . 1 1 A 62 62 GLU HA H 62 4.610 4.533 0.077 2
1 554 . 1 1 A 62 62 GLU CA C 62 52.800 56.017 -3.217 2
1 555 . 1 1 A 62 62 GLU CB C 62 27.620 30.254 -2.634 2
1 557 . 1 1 A 62 62 GLU N N 62 121.980 122.667 -0.687 2
1 558 . 1 1 A 63 63 ILE H H 63 8.710 8.481 0.229 2
1 559 . 1 1 A 63 63 ILE HA H 63 4.710 4.841 -0.131 2
1 569 . 1 1 A 63 63 ILE CA C 63 58.480 60.993 -2.513 2
1 570 . 1 1 A 63 63 ILE CB C 63 37.820 40.691 -2.872 2
1 574 . 1 1 A 63 63 ILE N N 63 125.400 124.386 1.014 2
1 575 . 1 1 A 64 64 ALA H H 64 9.350 8.628 0.722 2
1 576 . 1 1 A 64 64 ALA HA H 64 5.400 5.021 0.379 2
1 580 . 1 1 A 64 64 ALA CA C 64 47.440 51.362 -3.922 2
1 581 . 1 1 A 64 64 ALA CB C 64 19.750 22.610 -2.860 2
1 582 . 1 1 A 64 64 ALA N N 64 130.180 125.746 4.434 2
1 583 . 1 1 A 65 65 PHE H H 65 8.120 8.521 -0.401 2
1 584 . 1 1 A 65 65 PHE HA H 65 5.410 5.368 0.042 2
1 587 . 1 1 A 65 65 PHE CA C 65 53.210 55.815 -2.605 2
1 588 . 1 1 A 65 65 PHE CB C 65 40.490 41.081 -0.591 2
1 589 . 1 1 A 65 65 PHE N N 65 115.800 118.673 -2.873 2
1 590 . 1 1 A 66 66 GLU H H 66 8.360 9.048 -0.688 2
1 591 . 1 1 A 66 66 GLU HA H 66 4.700 4.762 -0.062 2
1 596 . 1 1 A 66 66 GLU CA C 66 52.100 55.097 -2.997 2
1 597 . 1 1 A 66 66 GLU CB C 66 30.280 32.977 -2.697 2
1 599 . 1 1 A 66 66 GLU N N 66 120.390 122.497 -2.107 2
1 600 . 1 1 A 67 67 ASP H H 67 8.880 8.952 -0.072 2
1 601 . 1 1 A 67 67 ASP HA H 67 5.120 4.856 0.264 2
1 604 . 1 1 A 67 67 ASP CA C 67 51.070 53.969 -2.899 2
1 605 . 1 1 A 67 67 ASP CB C 67 38.310 40.738 -2.428 2
1 606 . 1 1 A 67 67 ASP N N 67 124.860 126.239 -1.379 2
1 607 . 1 1 A 68 68 ARG H H 68 8.330 8.775 -0.445 2
1 608 . 1 1 A 68 68 ARG HA H 68 4.170 4.481 -0.311 2
1 613 . 1 1 A 68 68 ARG CA C 68 54.170 56.694 -2.524 2
1 614 . 1 1 A 68 68 ARG CB C 68 27.740 31.258 -3.518 2
1 615 . 1 1 A 68 68 ARG N N 68 125.010 123.610 1.400 2
1 616 . 1 1 A 69 69 LYS H H 69 7.980 7.782 0.198 2
1 617 . 1 1 A 69 69 LYS HA H 69 4.030 4.434 -0.404 2
1 626 . 1 1 A 69 69 LYS CA C 69 55.530 55.339 0.191 2
1 627 . 1 1 A 69 69 LYS CB C 69 26.220 33.236 -7.016 2
1 631 . 1 1 A 69 69 LYS N N 69 118.110 117.254 0.856 2
1 632 . 1 1 A 70 70 ASP H H 70 7.930 8.304 -0.374 2
1 633 . 1 1 A 70 70 ASP HA H 70 4.330 4.410 -0.080 2
1 636 . 1 1 A 70 70 ASP CA C 70 52.540 55.623 -3.083 2
1 637 . 1 1 A 70 70 ASP CB C 70 40.020 40.472 -0.452 2
1 638 . 1 1 A 70 70 ASP N N 70 116.380 118.030 -1.650 2
1 639 . 1 1 A 71 71 GLY H H 71 9.080 8.365 0.715 2
1 640 . 1 1 A 71 71 GLY HA2 H 71 4.200 3.998 0.202 2
1 641 . 1 1 A 71 71 GLY HA3 H 71 3.630 4.129 -0.499 2
1 642 . 1 1 A 71 71 GLY CA C 71 42.480 45.657 -3.177 2
1 643 . 1 1 A 71 71 GLY N N 71 108.240 106.765 1.475 2
1 644 . 1 1 A 72 72 SER H H 72 8.400 7.869 0.531 2
1 645 . 1 1 A 72 72 SER HA H 72 5.470 4.855 0.615 2
1 648 . 1 1 A 72 72 SER CA C 72 54.440 57.556 -3.116 2
1 649 . 1 1 A 72 72 SER CB C 72 65.130 64.533 0.597 2
1 650 . 1 1 A 72 72 SER N N 72 116.980 115.190 1.790 2
1 651 . 1 1 A 73 73 CYS H H 73 8.810 9.079 -0.269 2
1 652 . 1 1 A 73 73 CYS HA H 73 5.210 4.813 0.397 2
1 655 . 1 1 A 73 73 CYS CA C 73 53.240 58.284 -5.044 2
1 656 . 1 1 A 73 73 CYS CB C 73 28.520 28.277 0.243 2
1 657 . 1 1 A 73 73 CYS N N 73 114.140 126.163 -12.023 2
1 658 . 1 1 A 74 74 GLY H H 74 8.880 8.843 0.037 2
1 659 . 1 1 A 74 74 GLY HA2 H 74 4.540 4.037 0.503 2
1 660 . 1 1 A 74 74 GLY HA3 H 74 3.610 4.086 -0.476 2
1 661 . 1 1 A 74 74 GLY CA C 74 41.630 44.862 -3.232 2
1 662 . 1 1 A 74 74 GLY N N 74 110.010 113.789 -3.779 2
1 663 . 1 1 A 75 75 VAL H H 75 8.480 8.667 -0.187 2
1 664 . 1 1 A 75 75 VAL HA H 75 4.550 4.851 -0.301 2
1 672 . 1 1 A 75 75 VAL CA C 75 57.860 60.999 -3.139 2
1 673 . 1 1 A 75 75 VAL CB C 75 30.530 32.273 -1.743 2
1 676 . 1 1 A 75 75 VAL N N 75 122.510 126.174 -3.664 2
1 677 . 1 1 A 76 76 SER H H 76 8.700 9.236 -0.536 2
1 678 . 1 1 A 76 76 SER HA H 76 5.540 5.197 0.343 2
1 681 . 1 1 A 76 76 SER CA C 76 53.360 57.653 -4.293 2
1 682 . 1 1 A 76 76 SER CB C 76 63.190 64.563 -1.373 2
1 683 . 1 1 A 76 76 SER N N 76 118.910 123.833 -4.923 2
1 684 . 1 1 A 77 77 TYR H H 77 8.960 9.007 -0.047 2
1 685 . 1 1 A 77 77 TYR HA H 77 4.420 5.890 -1.470 2
1 688 . 1 1 A 77 77 TYR CA C 77 52.780 55.641 -2.861 2
1 689 . 1 1 A 77 77 TYR CB C 77 39.950 41.660 -1.710 2
1 690 . 1 1 A 77 77 TYR N N 77 118.060 121.053 -2.993 2
1 691 . 1 1 A 78 78 VAL H H 78 8.160 8.671 -0.511 2
1 692 . 1 1 A 78 78 VAL HA H 78 4.320 4.512 -0.192 2
1 700 . 1 1 A 78 78 VAL CA C 78 57.510 60.612 -3.102 2
1 701 . 1 1 A 78 78 VAL CB C 78 32.620 34.148 -1.528 2
1 704 . 1 1 A 78 78 VAL N N 78 116.800 122.039 -5.239 2
1 705 . 1 1 A 79 79 VAL H H 79 8.730 8.486 0.244 2
1 706 . 1 1 A 79 79 VAL HA H 79 4.760 4.402 0.358 2
1 714 . 1 1 A 79 79 VAL CA C 79 55.750 60.687 -4.937 2
1 715 . 1 1 A 79 79 VAL CB C 79 30.530 33.591 -3.061 2
1 718 . 1 1 A 79 79 VAL N N 79 119.730 125.691 -5.961 2
1 719 . 1 1 A 80 80 GLN H H 80 8.030 9.137 -1.107 2
1 720 . 1 1 A 80 80 GLN HA H 80 4.240 4.423 -0.183 2
1 725 . 1 1 A 80 80 GLN CA C 80 53.910 57.077 -3.167 2
1 726 . 1 1 A 80 80 GLN CB C 80 27.130 30.497 -3.367 2
1 728 . 1 1 A 80 80 GLN N N 80 116.150 122.514 -6.364 2
1 729 . 1 1 A 81 81 GLU H H 81 7.070 7.989 -0.919 2
1 730 . 1 1 A 81 81 GLU HA H 81 5.010 4.828 0.182 2
1 735 . 1 1 A 81 81 GLU CA C 81 49.600 53.780 -4.180 2
1 736 . 1 1 A 81 81 GLU CB C 81 29.410 32.349 -2.939 2
1 738 . 1 1 A 81 81 GLU N N 81 113.990 115.593 -1.603 2
1 739 . 1 1 A 82 82 PRO HA H 82 5.040 4.420 0.620 2
1 746 . 1 1 A 82 82 PRO CA C 82 59.910 63.753 -3.843 2
1 747 . 1 1 A 82 82 PRO CB C 82 29.280 32.339 -3.059 2
1 750 . 1 1 A 83 83 GLY H H 83 8.840 7.802 1.038 2
1 751 . 1 1 A 83 83 GLY CA C 83 41.780 44.637 -2.857 2
1 752 . 1 1 A 83 83 GLY N N 83 104.910 107.734 -2.825 2
1 753 . 1 1 A 84 84 ASP H H 84 8.250 8.389 -0.139 2
1 754 . 1 1 A 84 84 ASP HA H 84 5.260 5.158 0.102 2
1 757 . 1 1 A 84 84 ASP CA C 84 51.540 53.166 -1.626 2
1 758 . 1 1 A 84 84 ASP CB C 84 38.700 40.872 -2.172 2
1 759 . 1 1 A 84 84 ASP N N 84 118.800 120.358 -1.558 2
1 760 . 1 1 A 85 85 TYR H H 85 8.810 8.553 0.257 2
1 761 . 1 1 A 85 85 TYR HA H 85 3.970 4.943 -0.973 2
1 764 . 1 1 A 85 85 TYR CA C 85 53.930 59.074 -5.144 2
1 765 . 1 1 A 85 85 TYR CB C 85 37.760 39.546 -1.786 2
1 766 . 1 1 A 85 85 TYR N N 85 121.630 124.692 -3.062 2
1 767 . 1 1 A 86 86 GLU H H 86 9.320 8.980 0.340 2
1 768 . 1 1 A 86 86 GLU HA H 86 5.260 5.094 0.166 2
1 773 . 1 1 A 86 86 GLU CA C 86 52.350 55.033 -2.683 2
1 774 . 1 1 A 86 86 GLU CB C 86 30.070 32.050 -1.980 2
1 776 . 1 1 A 86 86 GLU N N 86 120.420 122.407 -1.987 2
1 777 . 1 1 A 87 87 VAL H H 87 9.810 8.311 1.499 2
1 778 . 1 1 A 87 87 VAL HA H 87 4.990 5.011 -0.021 2
1 786 . 1 1 A 87 87 VAL CA C 87 58.590 59.160 -0.570 2
1 787 . 1 1 A 87 87 VAL CB C 87 30.210 34.592 -4.382 2
1 790 . 1 1 A 87 87 VAL N N 87 129.200 123.508 5.692 2
1 791 . 1 1 A 88 88 SER H H 88 9.560 8.572 0.988 2
1 792 . 1 1 A 88 88 SER HA H 88 5.170 5.243 -0.073 2
1 795 . 1 1 A 88 88 SER CA C 88 55.170 56.948 -1.778 2
1 796 . 1 1 A 88 88 SER CB C 88 62.790 64.712 -1.922 2
1 797 . 1 1 A 88 88 SER N N 88 121.730 123.302 -1.572 2
1 798 . 1 1 A 89 89 ILE H H 89 9.570 9.357 0.213 2
1 799 . 1 1 A 89 89 ILE HA H 89 4.920 5.369 -0.449 2
1 809 . 1 1 A 89 89 ILE CA C 89 57.020 59.155 -2.135 2
1 810 . 1 1 A 89 89 ILE CB C 89 38.120 40.251 -2.131 2
1 814 . 1 1 A 89 89 ILE N N 89 125.650 122.358 3.292 2
1 815 . 1 1 A 90 90 LYS H H 90 8.760 8.602 0.158 2
1 816 . 1 1 A 90 90 LYS HA H 90 5.130 5.344 -0.214 2
1 825 . 1 1 A 90 90 LYS CA C 90 50.980 54.713 -3.733 2
1 826 . 1 1 A 90 90 LYS CB C 90 33.850 35.703 -1.853 2
1 830 . 1 1 A 90 90 LYS N N 90 122.170 124.277 -2.107 2
1 831 . 1 1 A 91 91 PHE H H 91 9.040 8.404 0.636 2
1 832 . 1 1 A 91 91 PHE HA H 91 5.330 4.719 0.611 2
1 835 . 1 1 A 91 91 PHE CA C 91 53.190 57.530 -4.340 2
1 836 . 1 1 A 91 91 PHE CB C 91 40.200 39.604 0.596 2
1 837 . 1 1 A 91 91 PHE N N 91 120.990 125.360 -4.370 2
1 838 . 1 1 A 92 92 ASN H H 92 9.210 9.834 -0.624 2
1 839 . 1 1 A 92 92 ASN HA H 92 4.220 4.197 0.023 2
1 842 . 1 1 A 92 92 ASN CA C 92 51.480 53.907 -2.427 2
1 843 . 1 1 A 92 92 ASN CB C 92 33.610 36.879 -3.269 2
1 844 . 1 1 A 92 92 ASN N N 92 127.010 125.155 1.855 2
1 845 . 1 1 A 93 93 ASP H H 93 8.760 8.484 0.276 2
1 846 . 1 1 A 93 93 ASP HA H 93 3.970 4.232 -0.262 2
1 849 . 1 1 A 93 93 ASP CA C 93 53.920 55.977 -2.057 2
1 850 . 1 1 A 93 93 ASP CB C 93 38.060 39.158 -1.098 2
1 851 . 1 1 A 93 93 ASP N N 93 107.220 110.976 -3.756 2
1 852 . 1 1 A 94 94 GLU H H 94 7.500 8.014 -0.514 2
1 853 . 1 1 A 94 94 GLU HA H 94 4.700 4.618 0.082 2
1 857 . 1 1 A 94 94 GLU CA C 94 51.940 55.314 -3.374 2
1 858 . 1 1 A 94 94 GLU CB C 94 29.680 29.695 -0.015 2
1 860 . 1 1 A 94 94 GLU N N 94 117.830 117.851 -0.021 2
1 861 . 1 1 A 95 95 HIS H H 95 8.770 8.613 0.157 2
1 862 . 1 1 A 95 95 HIS HA H 95 4.480 4.700 -0.220 2
1 865 . 1 1 A 95 95 HIS CA C 95 56.530 55.859 0.671 2
1 866 . 1 1 A 95 95 HIS CB C 95 29.690 29.614 0.076 2
1 867 . 1 1 A 95 95 HIS N N 95 121.910 122.614 -0.704 2
1 868 . 1 1 A 96 96 ILE H H 96 8.110 8.278 -0.168 2
1 869 . 1 1 A 96 96 ILE HA H 96 4.310 4.197 0.113 2
1 871 . 1 1 A 96 96 ILE CA C 96 57.520 59.933 -2.413 2
1 872 . 1 1 A 96 96 ILE CB C 96 32.720 38.280 -5.560 2
1 873 . 1 1 A 96 96 ILE N N 96 116.370 123.975 -7.605 2
1 874 . 1 1 A 97 97 PRO CA C 97 63.500 64.166 -0.666 2
1 875 . 1 1 A 97 97 PRO CB C 97 28.690 31.003 -2.313 2
1 878 . 1 1 A 98 98 ASP H H 98 7.940 8.778 -0.838 2
1 879 . 1 1 A 98 98 ASP HA H 98 5.010 4.525 0.485 2
1 882 . 1 1 A 98 98 ASP CA C 98 54.510 56.371 -1.861 2
1 883 . 1 1 A 98 98 ASP CB C 98 37.760 41.934 -4.174 2
1 884 . 1 1 A 98 98 ASP N N 98 113.440 119.934 -6.494 2
1 885 . 1 1 A 99 99 SER H H 99 7.470 7.853 -0.383 2
1 886 . 1 1 A 99 99 SER HA H 99 4.230 4.689 -0.459 2
1 889 . 1 1 A 99 99 SER CA C 99 52.370 57.089 -4.719 2
1 890 . 1 1 A 99 99 SER CB C 99 60.430 63.485 -3.055 2
1 891 . 1 1 A 99 99 SER N N 99 110.680 114.363 -3.683 2
1 892 . 1 1 A 100 100 PRO HA H 100 4.550 5.025 -0.475 2
1 899 . 1 1 A 100 100 PRO CA C 100 59.920 62.415 -2.495 2
1 900 . 1 1 A 100 100 PRO CB C 100 31.880 31.840 0.040 2
1 903 . 1 1 A 101 101 PHE H H 101 9.270 7.889 1.381 2
1 904 . 1 1 A 101 101 PHE HA H 101 4.560 5.167 -0.607 2
1 907 . 1 1 A 101 101 PHE CA C 101 54.060 55.490 -1.430 2
1 908 . 1 1 A 101 101 PHE CB C 101 37.930 41.597 -3.667 2
1 909 . 1 1 A 101 101 PHE N N 101 119.180 118.991 0.189 2
1 910 . 1 1 A 102 102 VAL H H 102 8.760 8.626 0.134 2
1 911 . 1 1 A 102 102 VAL HA H 102 4.580 4.881 -0.301 2
1 919 . 1 1 A 102 102 VAL CA C 102 60.400 60.639 -0.239 2
1 920 . 1 1 A 102 102 VAL CB C 102 28.970 33.683 -4.713 2
1 923 . 1 1 A 102 102 VAL N N 102 123.120 121.105 2.015 2
1 924 . 1 1 A 103 103 VAL H H 103 9.520 9.823 -0.303 2
1 925 . 1 1 A 103 103 VAL HA H 103 4.390 4.767 -0.377 2
1 933 . 1 1 A 103 103 VAL CA C 103 57.200 59.316 -2.116 2
1 934 . 1 1 A 103 103 VAL CB C 103 32.060 33.163 -1.103 2
1 937 . 1 1 A 103 103 VAL N N 103 130.330 128.467 1.863 2
1 938 . 1 1 A 104 104 PRO HA H 104 4.370 4.749 -0.379 2
1 941 . 1 1 A 104 104 PRO CA C 104 60.240 62.773 -2.533 2
1 942 . 1 1 A 104 104 PRO CB C 104 29.660 31.809 -2.149 2
1 945 . 1 1 A 105 105 VAL H H 105 9.300 8.367 0.933 2
1 946 . 1 1 A 105 105 VAL HA H 105 4.300 4.752 -0.452 2
1 954 . 1 1 A 105 105 VAL CA C 105 59.210 61.761 -2.551 2
1 955 . 1 1 A 105 105 VAL CB C 105 28.840 32.965 -4.125 2
1 958 . 1 1 A 105 105 VAL N N 105 126.320 124.377 1.943 2
1 959 . 1 1 A 106 106 ALA H H 106 8.360 9.427 -1.067 2
1 960 . 1 1 A 106 106 ALA HA H 106 4.660 5.213 -0.553 2
1 964 . 1 1 A 106 106 ALA CA C 106 48.340 50.482 -2.142 2
1 965 . 1 1 A 106 106 ALA CB C 106 18.960 22.463 -3.503 2
1 966 . 1 1 A 106 106 ALA N N 106 130.550 128.926 1.624 2
1 967 . 1 1 A 107 107 SER H H 107 8.590 8.696 -0.106 2
1 968 . 1 1 A 107 107 SER HA H 107 4.490 4.790 -0.300 2
1 971 . 1 1 A 107 107 SER CA C 107 55.570 57.086 -1.516 2
1 972 . 1 1 A 107 107 SER CB C 107 61.760 63.016 -1.256 2
1 973 . 1 1 A 107 107 SER N N 107 112.340 117.805 -5.465 2
1 974 . 1 1 A 108 108 LEU H H 108 8.660 8.444 0.216 2
1 975 . 1 1 A 108 108 LEU HA H 108 4.300 4.012 0.288 2
1 985 . 1 1 A 108 108 LEU CA C 108 53.250 56.595 -3.345 2
1 986 . 1 1 A 108 108 LEU CB C 108 39.650 40.794 -1.144 2
1 990 . 1 1 A 108 108 LEU N N 108 123.200 123.567 -0.367 2
1 991 . 1 1 A 109 109 SER H H 109 8.210 8.142 0.069 2
1 992 . 1 1 A 109 109 SER HA H 109 4.370 4.444 -0.074 2
1 995 . 1 1 A 109 109 SER CA C 109 55.810 59.915 -4.105 2
1 996 . 1 1 A 109 109 SER CB C 109 61.240 64.040 -2.800 2
1 997 . 1 1 A 109 109 SER N N 109 114.710 114.270 0.440 2
1 998 . 1 1 A 110 110 ASP H H 110 8.240 8.198 0.042 2
1 999 . 1 1 A 110 110 ASP HA H 110 4.500 4.339 0.161 2
1 1002 . 1 1 A 110 110 ASP CA C 110 52.740 55.477 -2.737 2
1 1003 . 1 1 A 110 110 ASP CB C 110 38.260 39.884 -1.624 2
1 1004 . 1 1 A 110 110 ASP N N 110 121.030 119.714 1.316 2
1 1005 . 1 1 A 111 111 ASP H H 111 8.210 8.009 0.201 2
1 1006 . 1 1 A 111 111 ASP HA H 111 4.500 4.851 -0.351 2
1 1009 . 1 1 A 111 111 ASP CA C 111 52.770 54.609 -1.839 2
1 1010 . 1 1 A 111 111 ASP CB C 111 38.290 43.478 -5.188 2
1 1011 . 1 1 A 111 111 ASP N N 111 118.910 117.910 1.000 2
1 1012 . 1 1 A 112 112 ALA H H 112 8.050 8.401 -0.351 2
1 1013 . 1 1 A 112 112 ALA HA H 112 4.170 4.069 0.101 2
1 1017 . 1 1 A 112 112 ALA CA C 112 50.710 53.092 -2.382 2
1 1018 . 1 1 A 112 112 ALA CB C 112 16.110 17.619 -1.509 2
1 1019 . 1 1 A 112 112 ALA N N 112 121.600 120.873 0.728 2
1 1020 . 1 1 A 113 113 ARG H H 113 7.960 8.124 -0.164 2
1 1021 . 1 1 A 113 113 ARG HA H 113 4.030 4.444 -0.414 2
1 1027 . 1 1 A 113 113 ARG CA C 113 55.200 55.760 -0.560 2
1 1028 . 1 1 A 113 113 ARG CB C 113 27.730 31.542 -3.812 2
1 1031 . 1 1 A 113 113 ARG N N 113 116.640 119.575 -2.935 2
1 1032 . 1 1 A 114 114 ARG H H 114 7.930 8.700 -0.770 2
1 1033 . 1 1 A 114 114 ARG HA H 114 4.000 4.530 -0.530 2
1 1040 . 1 1 A 114 114 ARG CA C 114 53.940 56.110 -2.170 2
1 1041 . 1 1 A 114 114 ARG CB C 114 30.550 31.750 -1.200 2
1 1044 . 1 1 A 114 114 ARG N N 114 116.380 122.790 -6.410 2
1 1045 . 1 1 A 115 115 LEU H H 115 8.000 7.806 0.194 2
1 1046 . 1 1 A 115 115 LEU HA H 115 4.320 4.445 -0.125 2
1 1056 . 1 1 A 115 115 LEU CA C 115 52.870 55.567 -2.697 2
1 1057 . 1 1 A 115 115 LEU CB C 115 39.640 44.085 -4.445 2
1 1061 . 1 1 A 115 115 LEU N N 115 120.260 118.479 1.781 2
1 1062 . 1 1 A 116 116 THR H H 116 7.970 7.825 0.145 2
1 1063 . 1 1 A 116 116 THR HA H 116 4.390 4.398 -0.008 2
1 1068 . 1 1 A 116 116 THR CA C 116 59.270 63.957 -4.687 2
1 1069 . 1 1 A 116 116 THR CB C 116 67.420 69.455 -2.035 2
1 1071 . 1 1 A 116 116 THR N N 116 113.250 112.407 0.843 2
1 1072 . 1 1 A 117 117 VAL H H 117 8.070 8.091 -0.021 2
1 1073 . 1 1 A 117 117 VAL HA H 117 4.330 3.970 0.360 2
1 1078 . 1 1 A 117 117 VAL CA C 117 60.230 65.179 -4.949 2
1 1079 . 1 1 A 117 117 VAL CB C 117 30.360 31.788 -1.428 2
1 1081 . 1 1 A 117 117 VAL N N 117 120.990 120.428 0.562 2
1 1082 . 1 1 A 118 118 THR H H 118 8.210 8.013 0.197 2
1 1083 . 1 1 A 118 118 THR HA H 118 4.380 3.948 0.432 2
1 1088 . 1 1 A 118 118 THR CA C 118 58.770 63.097 -4.327 2
1 1089 . 1 1 A 118 118 THR CB C 118 67.420 67.643 -0.223 2
1 1091 . 1 1 A 118 118 THR N N 118 116.420 116.336 0.084 2
1 1098 . 2 2 B 6 6 GLU H H 6 8.780 8.480 0.300 2
1 1099 . 2 2 B 6 6 GLU HA H 6 4.160 4.476 -0.316 2
1 1104 . 2 2 B 8 8 ARG H H 8 8.200 8.301 -0.101 2
1 1105 . 2 2 B 8 8 ARG HA H 8 4.210 4.720 -0.510 2
1 1111 . 2 2 B 9 9 VAL H H 9 9.000 8.253 0.747 2
1 1112 . 2 2 B 9 9 VAL HA H 9 4.070 4.288 -0.218 2
1 1123 . 2 2 B 11 11 SER H H 11 8.490 8.209 0.281 2
1 1126 . 2 2 B 12 12 SER HA H 12 4.410 4.941 -0.531 2
1 1129 . 2 2 B 13 13 VAL H H 13 8.800 8.820 -0.020 2
1 1130 . 2 2 B 13 13 VAL HA H 13 4.010 4.314 -0.304 2
1 1138 . 2 2 B 14 14 PHE HA H 14 4.620 5.110 -0.490 2
1 1143 . 2 2 B 15 15 ILE H H 15 8.710 9.004 -0.294 2
1 1144 . 2 2 B 15 15 ILE HA H 15 4.140 4.361 -0.221 2
1 1154 . 2 2 B 16 16 THR HA H 16 4.220 5.103 -0.883 2
1 1159 . 2 2 B 17 17 LEU H H 17 8.270 8.813 -0.543 2
1 1160 . 2 2 B 17 17 LEU HA H 17 4.130 5.061 -0.931 2
1 1170 . 2 2 B 18 18 ALA HA H 18 4.500 4.529 -0.029 2
stop_
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