data_15854_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15854
_Entry.PDB_ID 2K62
_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 7
_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 7 . 1 1 1 A 2 2 PHE H H 2 8.500 8.963 -0.463 1
1 8 . 1 1 1 A 2 2 PHE HA H 2 4.440 nan 4.440 1
1 12 . 1 1 1 A 2 2 PHE C C 2 175.800 175.566 0.234 1
1 13 . 1 1 1 A 2 2 PHE CA C 2 61.060 58.798 2.262 1
1 14 . 1 1 1 A 2 2 PHE CB C 2 40.690 42.208 -1.518 1
1 16 . 1 1 1 A 2 2 PHE N N 2 115.730 123.912 -8.182 1
1 17 . 1 1 1 A 3 3 SER H H 3 8.110 8.128 -0.018 1
1 18 . 1 1 1 A 3 3 SER HA H 3 4.500 nan 4.500 1
1 20 . 1 1 1 A 3 3 SER C C 3 174.470 174.799 -0.329 1
1 21 . 1 1 1 A 3 3 SER CA C 3 59.890 60.416 -0.526 1
1 22 . 1 1 1 A 3 3 SER CB C 3 60.610 63.773 -3.163 1
1 23 . 1 1 1 A 3 3 SER N N 3 111.250 115.647 -4.397 1
1 24 . 1 1 1 A 4 4 GLY H H 4 9.130 8.526 0.604 1
1 25 . 1 1 1 A 4 4 GLY HA2 H 4 4.081 4.277 -0.196 1
1 26 . 1 1 1 A 4 4 GLY HA3 H 4 3.896 4.277 -0.381 1
1 27 . 1 1 1 A 4 4 GLY C C 4 170.770 171.711 -0.941 1
1 28 . 1 1 1 A 4 4 GLY CA C 4 44.040 45.125 -1.085 1
1 29 . 1 1 1 A 4 4 GLY N N 4 111.720 111.085 0.635 1
1 30 . 1 1 1 A 5 5 THR H H 5 8.306 8.221 0.085 1
1 31 . 1 1 1 A 5 5 THR HA H 5 4.980 nan 4.980 1
1 36 . 1 1 1 A 5 5 THR C C 5 172.600 173.402 -0.802 1
1 37 . 1 1 1 A 5 5 THR CA C 5 62.800 61.684 1.116 1
1 38 . 1 1 1 A 5 5 THR CB C 5 68.690 70.070 -1.380 1
1 40 . 1 1 1 A 5 5 THR N N 5 117.930 116.231 1.699 1
1 41 . 1 1 1 A 6 6 TRP H H 6 9.590 9.402 0.188 1
1 42 . 1 1 1 A 6 6 TRP HA H 6 5.180 nan 5.180 1
1 51 . 1 1 1 A 6 6 TRP C C 6 175.170 175.054 0.116 1
1 52 . 1 1 1 A 6 6 TRP CA C 6 55.190 55.542 -0.352 1
1 53 . 1 1 1 A 6 6 TRP CB C 6 31.720 32.127 -0.407 1
1 58 . 1 1 1 A 6 6 TRP N N 6 127.530 126.584 0.946 1
1 59 . 1 1 1 A 7 7 GLN H H 7 9.359 9.438 -0.079 1
1 60 . 1 1 1 A 7 7 GLN HA H 7 5.052 nan 5.052 1
1 67 . 1 1 1 A 7 7 GLN C C 7 175.870 175.083 0.787 1
1 68 . 1 1 1 A 7 7 GLN CA C 7 54.020 54.728 -0.708 1
1 69 . 1 1 1 A 7 7 GLN CB C 7 31.700 30.262 1.438 1
1 71 . 1 1 1 A 7 7 GLN N N 7 122.500 123.308 -0.808 1
1 73 . 1 1 1 A 8 8 VAL H H 8 8.590 8.905 -0.315 1
1 74 . 1 1 1 A 8 8 VAL HA H 8 4.511 nan 4.511 1
1 82 . 1 1 1 A 8 8 VAL C C 8 175.850 174.936 0.914 1
1 83 . 1 1 1 A 8 8 VAL CA C 8 63.420 61.187 2.233 1
1 84 . 1 1 1 A 8 8 VAL CB C 8 31.720 33.416 -1.696 1
1 87 . 1 1 1 A 8 8 VAL N N 8 131.500 123.501 7.999 1
1 88 . 1 1 1 A 9 9 TYR H H 9 9.595 8.885 0.710 1
1 89 . 1 1 1 A 9 9 TYR HA H 9 5.184 nan 5.184 1
1 94 . 1 1 1 A 9 9 TYR C C 9 174.140 174.178 -0.038 1
1 95 . 1 1 1 A 9 9 TYR CA C 9 56.370 55.633 0.737 1
1 96 . 1 1 1 A 9 9 TYR CB C 9 40.530 41.364 -0.834 1
1 99 . 1 1 1 A 9 9 TYR N N 9 123.060 121.924 1.136 1
1 100 . 1 1 1 A 10 10 ALA H H 10 7.380 8.575 -1.195 1
1 101 . 1 1 1 A 10 10 ALA HA H 10 4.720 nan 4.720 1
1 105 . 1 1 1 A 10 10 ALA C C 10 175.100 175.536 -0.436 1
1 106 . 1 1 1 A 10 10 ALA CA C 10 51.660 51.287 0.373 1
1 107 . 1 1 1 A 10 10 ALA CB C 10 22.330 23.388 -1.058 1
1 108 . 1 1 1 A 10 10 ALA N N 10 125.830 122.840 2.990 1
1 109 . 1 1 1 A 11 11 GLN H H 11 8.761 8.666 0.095 1
1 110 . 1 1 1 A 11 11 GLN HA H 11 5.289 nan 5.289 1
1 115 . 1 1 1 A 11 11 GLN C C 11 174.400 175.813 -1.413 1
1 116 . 1 1 1 A 11 11 GLN CA C 11 54.020 55.578 -1.558 1
1 117 . 1 1 1 A 11 11 GLN CB C 11 32.310 30.151 2.159 1
1 119 . 1 1 1 A 11 11 GLN N N 11 118.530 117.317 1.213 1
1 120 . 1 1 1 A 12 12 GLU H H 12 9.353 7.411 1.942 1
1 121 . 1 1 1 A 12 12 GLU HA H 12 4.670 nan 4.670 1
1 126 . 1 1 1 A 12 12 GLU C C 12 176.600 176.764 -0.164 1
1 127 . 1 1 1 A 12 12 GLU CA C 12 55.780 57.145 -1.365 1
1 128 . 1 1 1 A 12 12 GLU CB C 12 31.720 29.623 2.097 1
1 130 . 1 1 1 A 12 12 GLU N N 12 123.630 120.759 2.871 1
1 131 . 1 1 1 A 13 13 ASN H H 13 9.240 9.382 -0.142 1
1 132 . 1 1 1 A 13 13 ASN HA H 13 4.780 nan 4.780 1
1 137 . 1 1 1 A 13 13 ASN C C 13 175.720 175.241 0.479 1
1 138 . 1 1 1 A 13 13 ASN CA C 13 54.010 54.552 -0.542 1
1 139 . 1 1 1 A 13 13 ASN CB C 13 44.800 36.480 8.320 1
1 140 . 1 1 1 A 13 13 ASN N N 13 117.430 120.820 -3.390 1
1 142 . 1 1 1 A 14 14 TYR HA H 14 4.540 nan 4.540 1
1 147 . 1 1 1 A 14 14 TYR C C 14 177.100 178.198 -1.098 1
1 148 . 1 1 1 A 14 14 TYR CA C 14 59.890 62.128 -2.238 1
1 149 . 1 1 1 A 14 14 TYR CB C 14 39.350 39.165 0.185 1
1 152 . 1 1 1 A 14 14 TYR N N 14 118.530 118.965 -0.435 1
1 153 . 1 1 1 A 15 15 GLU H H 15 8.970 8.634 0.336 1
1 154 . 1 1 1 A 15 15 GLU HA H 15 3.680 nan 3.680 1
1 157 . 1 1 1 A 15 15 GLU C C 15 179.100 179.084 0.016 1
1 158 . 1 1 1 A 15 15 GLU CA C 15 61.070 58.573 2.497 1
1 159 . 1 1 1 A 15 15 GLU CB C 15 28.200 27.950 0.250 1
1 161 . 1 1 1 A 15 15 GLU N N 15 117.930 118.838 -0.908 1
1 162 . 1 1 1 A 16 16 GLU H H 16 9.020 8.268 0.752 1
1 163 . 1 1 1 A 16 16 GLU HA H 16 3.950 nan 3.950 1
1 167 . 1 1 1 A 16 16 GLU C C 16 179.200 178.826 0.374 1
1 168 . 1 1 1 A 16 16 GLU CA C 16 59.890 59.425 0.465 1
1 169 . 1 1 1 A 16 16 GLU CB C 16 28.200 29.594 -1.394 1
1 171 . 1 1 1 A 16 16 GLU N N 16 118.530 120.719 -2.189 1
1 172 . 1 1 1 A 17 17 PHE H H 17 8.490 7.847 0.643 1
1 173 . 1 1 1 A 17 17 PHE HA H 17 4.130 nan 4.130 1
1 178 . 1 1 1 A 17 17 PHE C C 17 176.000 177.206 -1.206 1
1 179 . 1 1 1 A 17 17 PHE CA C 17 62.240 60.943 1.297 1
1 180 . 1 1 1 A 17 17 PHE CB C 17 39.930 38.992 0.938 1
1 183 . 1 1 1 A 17 17 PHE N N 17 124.190 120.570 3.620 1
1 184 . 1 1 1 A 18 18 LEU H H 18 8.460 7.695 0.765 1
1 185 . 1 1 1 A 18 18 LEU HA H 18 3.770 nan 3.770 1
1 195 . 1 1 1 A 18 18 LEU C C 18 179.500 178.938 0.562 1
1 196 . 1 1 1 A 18 18 LEU CA C 18 58.130 57.709 0.421 1
1 197 . 1 1 1 A 18 18 LEU CB C 18 41.100 41.359 -0.259 1
1 201 . 1 1 1 A 18 18 LEU N N 18 117.430 119.174 -1.744 1
1 202 . 1 1 1 A 19 19 LYS H H 19 7.760 7.379 0.381 1
1 203 . 1 1 1 A 19 19 LYS HA H 19 4.120 nan 4.120 1
1 209 . 1 1 1 A 19 19 LYS C C 19 180.710 177.372 3.338 1
1 210 . 1 1 1 A 19 19 LYS CA C 19 58.720 58.110 0.610 1
1 211 . 1 1 1 A 19 19 LYS CB C 19 31.720 31.956 -0.236 1
1 215 . 1 1 1 A 19 19 LYS N N 19 116.830 116.124 0.706 1
1 216 . 1 1 1 A 20 20 ALA H H 20 8.050 7.977 0.073 1
1 217 . 1 1 1 A 20 20 ALA HA H 20 4.270 nan 4.270 1
1 221 . 1 1 1 A 20 20 ALA C C 20 179.050 176.646 2.404 1
1 222 . 1 1 1 A 20 20 ALA CA C 20 54.600 51.529 3.071 1
1 223 . 1 1 1 A 20 20 ALA CB C 20 17.630 19.615 -1.985 1
1 224 . 1 1 1 A 20 20 ALA N N 20 125.880 121.253 4.627 1
1 225 . 1 1 1 A 21 21 LEU H H 21 7.330 7.395 -0.065 1
1 226 . 1 1 1 A 21 21 LEU HA H 21 3.780 nan 3.780 1
1 236 . 1 1 1 A 21 21 LEU C C 21 175.540 176.343 -0.803 1
1 237 . 1 1 1 A 21 21 LEU CA C 21 55.200 56.014 -0.814 1
1 238 . 1 1 1 A 21 21 LEU CB C 21 41.700 42.418 -0.718 1
1 242 . 1 1 1 A 21 21 LEU N N 21 115.750 118.191 -2.441 1
1 243 . 1 1 1 A 22 22 ALA H H 22 7.990 7.958 0.032 1
1 244 . 1 1 1 A 22 22 ALA HA H 22 4.010 nan 4.010 1
1 248 . 1 1 1 A 22 22 ALA C C 22 177.000 176.044 0.956 1
1 249 . 1 1 1 A 22 22 ALA CA C 22 52.260 51.230 1.030 1
1 250 . 1 1 1 A 22 22 ALA CB C 22 16.460 19.314 -2.854 1
1 251 . 1 1 1 A 22 22 ALA N N 22 118.000 123.880 -5.880 1
1 252 . 1 1 1 A 23 23 LEU H H 23 7.010 6.794 0.216 1
1 253 . 1 1 1 A 23 23 LEU HA H 23 4.440 nan 4.440 1
1 263 . 1 1 1 A 23 23 LEU C C 23 174.650 175.745 -1.095 1
1 264 . 1 1 1 A 23 23 LEU CA C 23 53.440 50.872 2.568 1
1 265 . 1 1 1 A 23 23 LEU CB C 23 41.700 42.803 -1.103 1
1 269 . 1 1 1 A 23 23 LEU N N 23 119.130 119.536 -0.406 1
1 270 . 1 1 1 A 24 24 PRO HA H 24 4.570 nan 4.570 1
1 277 . 1 1 1 A 24 24 PRO C C 24 177.830 177.105 0.725 1
1 278 . 1 1 1 A 24 24 PRO CA C 24 62.240 63.256 -1.016 1
1 279 . 1 1 1 A 24 24 PRO CB C 24 32.310 31.161 1.149 1
1 282 . 1 1 1 A 25 25 GLU H H 25 8.910 8.276 0.634 1
1 283 . 1 1 1 A 25 25 GLU HA H 25 3.900 nan 3.900 1
1 288 . 1 1 1 A 25 25 GLU C C 25 178.140 176.080 2.060 1
1 289 . 1 1 1 A 25 25 GLU CA C 25 59.890 58.947 0.943 1
1 290 . 1 1 1 A 25 25 GLU CB C 25 29.370 27.379 1.991 1
1 292 . 1 1 1 A 25 25 GLU N N 25 122.500 114.321 8.179 1
1 293 . 1 1 1 A 26 26 ASP H H 26 9.000 8.536 0.464 1
1 294 . 1 1 1 A 26 26 ASP HA H 26 4.410 nan 4.410 1
1 297 . 1 1 1 A 26 26 ASP C C 26 178.610 178.083 0.527 1
1 298 . 1 1 1 A 26 26 ASP CA C 26 56.370 57.437 -1.067 1
1 299 . 1 1 1 A 26 26 ASP CB C 26 39.350 41.890 -2.540 1
1 300 . 1 1 1 A 26 26 ASP N N 26 116.310 120.260 -3.950 1
1 301 . 1 1 1 A 27 27 LEU H H 27 7.440 7.904 -0.464 1
1 302 . 1 1 1 A 27 27 LEU HA H 27 4.400 nan 4.400 1
1 312 . 1 1 1 A 27 27 LEU C C 27 178.480 177.617 0.863 1
1 313 . 1 1 1 A 27 27 LEU CA C 27 56.370 55.662 0.708 1
1 314 . 1 1 1 A 27 27 LEU CB C 27 41.210 41.332 -0.122 1
1 318 . 1 1 1 A 27 27 LEU N N 27 120.250 118.060 2.190 1
1 319 . 1 1 1 A 28 28 ILE H H 28 8.040 7.679 0.361 1
1 320 . 1 1 1 A 28 28 ILE HA H 28 3.430 nan 3.430 1
1 330 . 1 1 1 A 28 28 ILE C C 28 177.705 177.722 -0.017 1
1 331 . 1 1 1 A 28 28 ILE CA C 28 66.350 65.167 1.183 1
1 332 . 1 1 1 A 28 28 ILE CB C 28 37.000 37.561 -0.561 1
1 336 . 1 1 1 A 28 28 ILE N N 28 121.930 119.591 2.339 1
1 337 . 1 1 1 A 29 29 LYS H H 29 7.830 7.946 -0.116 1
1 338 . 1 1 1 A 29 29 LYS HA H 29 3.940 nan 3.940 1
1 344 . 1 1 1 A 29 29 LYS C C 29 179.200 178.684 0.516 1
1 345 . 1 1 1 A 29 29 LYS CA C 29 59.890 59.194 0.696 1
1 346 . 1 1 1 A 29 29 LYS CB C 29 31.700 31.961 -0.261 1
1 350 . 1 1 1 A 29 29 LYS N N 29 116.880 119.510 -2.630 1
1 351 . 1 1 1 A 30 30 MET H H 30 7.290 7.858 -0.568 1
1 352 . 1 1 1 A 30 30 MET HA H 30 4.268 nan 4.268 1
1 360 . 1 1 1 A 30 30 MET C C 30 177.710 178.009 -0.299 1
1 361 . 1 1 1 A 30 30 MET CA C 30 58.130 57.517 0.613 1
1 362 . 1 1 1 A 30 30 MET CB C 30 33.480 32.110 1.370 1
1 365 . 1 1 1 A 30 30 MET N N 30 116.880 119.419 -2.539 1
1 366 . 1 1 1 A 31 31 ALA H H 31 8.410 7.866 0.544 1
1 367 . 1 1 1 A 31 31 ALA HA H 31 4.180 nan 4.180 1
1 371 . 1 1 1 A 31 31 ALA C C 31 180.650 179.521 1.129 1
1 372 . 1 1 1 A 31 31 ALA CA C 31 54.020 55.205 -1.185 1
1 373 . 1 1 1 A 31 31 ALA CB C 31 19.980 17.884 2.096 1
1 374 . 1 1 1 A 31 31 ALA N N 31 120.250 121.406 -1.156 1
1 375 . 1 1 1 A 32 32 ARG H H 32 8.000 7.781 0.219 1
1 376 . 1 1 1 A 32 32 ARG HA H 32 4.130 nan 4.130 1
1 382 . 1 1 1 A 32 32 ARG C C 32 176.805 177.582 -0.777 1
1 383 . 1 1 1 A 32 32 ARG CA C 32 60.480 58.406 2.074 1
1 384 . 1 1 1 A 32 32 ARG CB C 32 30.540 29.934 0.606 1
1 387 . 1 1 1 A 32 32 ARG N N 32 118.540 116.239 2.301 1
1 388 . 1 1 1 A 33 33 ASP H H 33 7.980 7.716 0.264 1
1 389 . 1 1 1 A 33 33 ASP HA H 33 4.970 nan 4.970 1
1 392 . 1 1 1 A 33 33 ASP C C 33 175.990 176.567 -0.577 1
1 393 . 1 1 1 A 33 33 ASP CA C 33 54.000 55.281 -1.281 1
1 394 . 1 1 1 A 33 33 ASP CB C 33 41.700 41.175 0.525 1
1 395 . 1 1 1 A 33 33 ASP N N 33 116.310 119.118 -2.808 1
1 396 . 1 1 1 A 34 34 ILE H H 34 7.550 7.235 0.315 1
1 397 . 1 1 1 A 34 34 ILE HA H 34 4.150 nan 4.150 1
1 407 . 1 1 1 A 34 34 ILE C C 34 175.797 175.516 0.281 1
1 408 . 1 1 1 A 34 34 ILE CA C 34 61.070 61.612 -0.542 1
1 409 . 1 1 1 A 34 34 ILE CB C 34 38.180 37.269 0.911 1
1 413 . 1 1 1 A 34 34 ILE N N 34 120.870 122.028 -1.158 1
1 414 . 1 1 1 A 35 35 LYS H H 35 8.990 8.684 0.306 1
1 415 . 1 1 1 A 35 35 LYS HA H 35 4.730 nan 4.730 1
1 423 . 1 1 1 A 35 35 LYS C C 35 173.200 173.715 -0.515 1
1 424 . 1 1 1 A 35 35 LYS CA C 35 52.840 53.704 -0.864 1
1 425 . 1 1 1 A 35 35 LYS CB C 35 32.890 33.183 -0.293 1
1 429 . 1 1 1 A 35 35 LYS N N 35 129.810 128.007 1.803 1
1 430 . 1 1 1 A 36 36 PRO HA H 36 4.730 nan 4.730 1
1 436 . 1 1 1 A 36 36 PRO C C 36 173.900 175.895 -1.995 1
1 437 . 1 1 1 A 36 36 PRO CA C 36 62.800 62.259 0.541 1
1 438 . 1 1 1 A 36 36 PRO CB C 36 32.310 32.670 -0.360 1
1 441 . 1 1 1 A 37 37 ILE H H 37 8.400 8.488 -0.088 1
1 442 . 1 1 1 A 37 37 ILE HA H 37 5.090 nan 5.090 1
1 452 . 1 1 1 A 37 37 ILE C C 37 175.257 175.700 -0.443 1
1 453 . 1 1 1 A 37 37 ILE CA C 37 62.670 60.876 1.794 1
1 454 . 1 1 1 A 37 37 ILE CB C 37 40.520 37.948 2.572 1
1 458 . 1 1 1 A 37 37 ILE N N 37 121.380 120.892 0.488 1
1 459 . 1 1 1 A 38 38 VAL H H 38 9.550 9.115 0.435 1
1 460 . 1 1 1 A 38 38 VAL HA H 38 5.180 nan 5.180 1
1 465 . 1 1 1 A 38 38 VAL C C 38 174.875 175.306 -0.431 1
1 466 . 1 1 1 A 38 38 VAL CA C 38 61.060 61.802 -0.742 1
1 467 . 1 1 1 A 38 38 VAL CB C 38 34.650 32.273 2.377 1
1 469 . 1 1 1 A 38 38 VAL N N 38 128.690 129.245 -0.555 1
1 470 . 1 1 1 A 39 39 GLU H H 39 9.710 8.798 0.912 1
1 471 . 1 1 1 A 39 39 GLU HA H 39 5.510 nan 5.510 1
1 476 . 1 1 1 A 39 39 GLU C C 39 175.930 175.640 0.290 1
1 477 . 1 1 1 A 39 39 GLU CA C 39 54.020 55.508 -1.488 1
1 478 . 1 1 1 A 39 39 GLU CB C 39 31.700 30.727 0.973 1
1 480 . 1 1 1 A 39 39 GLU N N 39 128.130 127.271 0.859 1
1 481 . 1 1 1 A 40 40 ILE H H 40 9.760 9.379 0.381 1
1 482 . 1 1 1 A 40 40 ILE HA H 40 5.130 nan 5.130 1
1 492 . 1 1 1 A 40 40 ILE C C 40 175.960 175.165 0.795 1
1 493 . 1 1 1 A 40 40 ILE CA C 40 61.650 60.157 1.493 1
1 494 . 1 1 1 A 40 40 ILE CB C 40 40.520 38.377 2.143 1
1 498 . 1 1 1 A 40 40 ILE N N 40 126.430 126.828 -0.398 1
1 499 . 1 1 1 A 41 41 GLN H H 41 9.380 9.372 0.008 1
1 500 . 1 1 1 A 41 41 GLN HA H 41 4.740 nan 4.740 1
1 506 . 1 1 1 A 41 41 GLN C C 41 173.420 174.196 -0.776 1
1 507 . 1 1 1 A 41 41 GLN CA C 41 54.590 54.059 0.531 1
1 508 . 1 1 1 A 41 41 GLN CB C 41 31.130 30.973 0.157 1
1 510 . 1 1 1 A 41 41 GLN N N 41 128.130 127.153 0.977 1
1 512 . 1 1 1 A 42 42 GLN H H 42 8.310 8.956 -0.646 1
1 513 . 1 1 1 A 42 42 GLN HA H 42 4.440 nan 4.440 1
1 520 . 1 1 1 A 42 42 GLN C C 42 174.500 174.762 -0.262 1
1 521 . 1 1 1 A 42 42 GLN CA C 42 54.020 55.223 -1.203 1
1 522 . 1 1 1 A 42 42 GLN CB C 42 29.960 29.412 0.548 1
1 524 . 1 1 1 A 42 42 GLN N N 42 125.880 125.723 0.157 1
1 526 . 1 1 1 A 43 43 LYS H H 43 8.290 8.859 -0.569 1
1 527 . 1 1 1 A 43 43 LYS HA H 43 4.420 nan 4.420 1
1 533 . 1 1 1 A 43 43 LYS C C 43 175.990 176.366 -0.376 1
1 534 . 1 1 1 A 43 43 LYS CA C 43 54.020 54.640 -0.620 1
1 535 . 1 1 1 A 43 43 LYS CB C 43 32.890 32.972 -0.082 1
1 539 . 1 1 1 A 43 43 LYS N N 43 129.810 126.566 3.244 1
1 540 . 1 1 1 A 44 44 GLY H H 44 9.040 8.755 0.285 1
1 541 . 1 1 1 A 44 44 GLY HA2 H 44 3.660 3.975 -0.315 1
1 542 . 1 1 1 A 44 44 GLY HA3 H 44 4.020 3.975 0.045 1
1 543 . 1 1 1 A 44 44 GLY C C 44 173.790 174.575 -0.785 1
1 544 . 1 1 1 A 44 44 GLY CA C 44 47.570 47.220 0.350 1
1 545 . 1 1 1 A 44 44 GLY N N 44 116.880 114.684 2.196 1
1 546 . 1 1 1 A 45 45 ASP H H 45 8.920 8.490 0.430 1
1 547 . 1 1 1 A 45 45 ASP HA H 45 4.920 nan 4.920 1
1 550 . 1 1 1 A 45 45 ASP C C 45 174.220 175.587 -1.367 1
1 551 . 1 1 1 A 45 45 ASP CA C 45 54.000 54.289 -0.289 1
1 552 . 1 1 1 A 45 45 ASP CB C 45 38.420 42.461 -4.041 1
1 553 . 1 1 1 A 45 45 ASP N N 45 127.530 126.233 1.297 1
1 554 . 1 1 1 A 46 46 ASP H H 46 8.090 7.460 0.630 1
1 555 . 1 1 1 A 46 46 ASP HA H 46 5.290 nan 5.290 1
1 558 . 1 1 1 A 46 46 ASP C C 46 174.779 175.299 -0.520 1
1 559 . 1 1 1 A 46 46 ASP CA C 46 54.020 52.726 1.294 1
1 560 . 1 1 1 A 46 46 ASP CB C 46 41.100 42.636 -1.536 1
1 561 . 1 1 1 A 46 46 ASP N N 46 120.250 118.400 1.850 1
1 562 . 1 1 1 A 47 47 PHE H H 47 9.360 8.997 0.363 1
1 563 . 1 1 1 A 47 47 PHE HA H 47 5.050 nan 5.050 1
1 568 . 1 1 1 A 47 47 PHE C C 47 176.260 174.187 2.073 1
1 569 . 1 1 1 A 47 47 PHE CA C 47 56.370 55.862 0.508 1
1 570 . 1 1 1 A 47 47 PHE CB C 47 42.870 40.125 2.745 1
1 573 . 1 1 1 A 47 47 PHE N N 47 122.500 120.207 2.293 1
1 574 . 1 1 1 A 48 48 VAL H H 48 8.580 9.420 -0.840 1
1 575 . 1 1 1 A 48 48 VAL HA H 48 5.140 nan 5.140 1
1 583 . 1 1 1 A 48 48 VAL C C 48 175.370 175.345 0.025 1
1 584 . 1 1 1 A 48 48 VAL CA C 48 62.200 62.378 -0.178 1
1 585 . 1 1 1 A 48 48 VAL CB C 48 33.200 32.260 0.940 1
1 588 . 1 1 1 A 48 48 VAL N N 48 121.930 123.936 -2.006 1
1 589 . 1 1 1 A 49 49 VAL H H 49 9.440 9.515 -0.075 1
1 590 . 1 1 1 A 49 49 VAL HA H 49 5.140 nan 5.140 1
1 598 . 1 1 1 A 49 49 VAL C C 49 175.840 175.061 0.779 1
1 599 . 1 1 1 A 49 49 VAL CA C 49 61.040 60.427 0.613 1
1 600 . 1 1 1 A 49 49 VAL CB C 49 33.660 34.382 -0.722 1
1 603 . 1 1 1 A 49 49 VAL N N 49 128.130 128.583 -0.453 1
1 604 . 1 1 1 A 50 50 THR H H 50 9.810 8.893 0.917 1
1 605 . 1 1 1 A 50 50 THR HA H 50 5.530 nan 5.530 1
1 610 . 1 1 1 A 50 50 THR C C 50 173.450 173.388 0.062 1
1 611 . 1 1 1 A 50 50 THR CA C 50 61.070 61.794 -0.724 1
1 612 . 1 1 1 A 50 50 THR CB C 50 70.460 70.532 -0.072 1
1 614 . 1 1 1 A 50 50 THR N N 50 128.130 124.649 3.481 1
1 615 . 1 1 1 A 51 51 SER H H 51 9.380 9.612 -0.232 1
1 616 . 1 1 1 A 51 51 SER HA H 51 5.380 nan 5.380 1
1 618 . 1 1 1 A 51 51 SER C C 51 173.450 173.415 0.035 1
1 619 . 1 1 1 A 51 51 SER CA C 51 56.960 58.012 -1.052 1
1 620 . 1 1 1 A 51 51 SER CB C 51 64.590 63.942 0.648 1
1 621 . 1 1 1 A 51 51 SER N N 51 123.630 125.469 -1.839 1
1 622 . 1 1 1 A 52 52 LYS H H 52 9.610 8.353 1.257 1
1 623 . 1 1 1 A 52 52 LYS HA H 52 5.270 nan 5.270 1
1 630 . 1 1 1 A 52 52 LYS C C 52 175.850 175.321 0.529 1
1 631 . 1 1 1 A 52 52 LYS CA C 52 56.370 55.582 0.788 1
1 632 . 1 1 1 A 52 52 LYS CB C 52 33.140 31.161 1.979 1
1 636 . 1 1 1 A 52 52 LYS N N 52 125.220 126.610 -1.390 1
1 637 . 1 1 1 A 53 53 THR H H 53 8.630 7.955 0.675 1
1 638 . 1 1 1 A 53 53 THR HA H 53 5.040 nan 5.040 1
1 643 . 1 1 1 A 53 53 THR C C 53 172.990 174.454 -1.464 1
1 644 . 1 1 1 A 53 53 THR CA C 53 59.290 61.190 -1.900 1
1 645 . 1 1 1 A 53 53 THR CB C 53 69.290 69.165 0.125 1
1 647 . 1 1 1 A 53 53 THR N N 53 115.190 118.973 -3.783 1
1 648 . 1 1 1 A 54 54 PRO HA H 54 4.390 nan 4.390 1
1 655 . 1 1 1 A 54 54 PRO C C 54 177.230 176.451 0.779 1
1 656 . 1 1 1 A 54 54 PRO CA C 54 65.760 63.355 2.405 1
1 657 . 1 1 1 A 54 54 PRO CB C 54 31.720 30.573 1.147 1
1 660 . 1 1 1 A 55 55 ARG H H 55 7.960 8.329 -0.369 1
1 661 . 1 1 1 A 55 55 ARG HA H 55 4.540 nan 4.540 1
1 668 . 1 1 1 A 55 55 ARG C C 55 175.430 175.160 0.270 1
1 669 . 1 1 1 A 55 55 ARG CA C 55 55.190 57.364 -2.174 1
1 670 . 1 1 1 A 55 55 ARG CB C 55 31.720 32.149 -0.429 1
1 673 . 1 1 1 A 55 55 ARG N N 55 111.250 119.509 -8.259 1
1 674 . 1 1 1 A 56 56 GLN H H 56 7.510 8.582 -1.072 1
1 675 . 1 1 1 A 56 56 GLN HA H 56 4.930 nan 4.930 1
1 682 . 1 1 1 A 56 56 GLN C C 56 173.670 174.497 -0.827 1
1 683 . 1 1 1 A 56 56 GLN CA C 56 58.390 54.457 3.933 1
1 684 . 1 1 1 A 56 56 GLN CB C 56 31.720 28.803 2.917 1
1 686 . 1 1 1 A 56 56 GLN N N 56 118.000 119.071 -1.071 1
1 688 . 1 1 1 A 57 57 THR H H 57 8.630 8.882 -0.252 1
1 689 . 1 1 1 A 57 57 THR HA H 57 5.530 nan 5.530 1
1 694 . 1 1 1 A 57 57 THR C C 57 173.300 174.513 -1.213 1
1 695 . 1 1 1 A 57 57 THR CA C 57 64.450 62.452 1.998 1
1 696 . 1 1 1 A 57 57 THR CB C 57 71.630 70.235 1.395 1
1 698 . 1 1 1 A 57 57 THR N N 57 121.380 121.826 -0.446 1
1 699 . 1 1 1 A 58 58 VAL H H 58 8.920 8.288 0.632 1
1 700 . 1 1 1 A 58 58 VAL HA H 58 5.100 nan 5.100 1
1 705 . 1 1 1 A 58 58 VAL C C 58 173.800 173.400 0.400 1
1 706 . 1 1 1 A 58 58 VAL CA C 58 54.600 60.321 -5.721 1
1 707 . 1 1 1 A 58 58 VAL CB C 58 34.660 34.922 -0.262 1
1 709 . 1 1 1 A 58 58 VAL N N 58 125.320 121.955 3.365 1
1 710 . 1 1 1 A 59 59 THR H H 59 8.830 8.676 0.154 1
1 711 . 1 1 1 A 59 59 THR HA H 59 5.320 nan 5.320 1
1 716 . 1 1 1 A 59 59 THR C C 59 172.980 173.510 -0.530 1
1 717 . 1 1 1 A 59 59 THR CA C 59 61.650 61.682 -0.032 1
1 718 . 1 1 1 A 59 59 THR CB C 59 71.040 70.991 0.049 1
1 720 . 1 1 1 A 59 59 THR N N 59 124.190 121.441 2.749 1
1 721 . 1 1 1 A 60 60 ASN H H 60 9.340 9.614 -0.274 1
1 722 . 1 1 1 A 60 60 ASN HA H 60 5.400 nan 5.400 1
1 727 . 1 1 1 A 60 60 ASN C C 60 172.850 174.073 -1.223 1
1 728 . 1 1 1 A 60 60 ASN CA C 60 52.260 51.908 0.352 1
1 729 . 1 1 1 A 60 60 ASN CB C 60 43.460 42.184 1.276 1
1 730 . 1 1 1 A 60 60 ASN N N 60 124.730 124.568 0.162 1
1 732 . 1 1 1 A 61 61 SER H H 61 8.890 8.761 0.129 1
1 733 . 1 1 1 A 61 61 SER HA H 61 5.490 nan 5.490 1
1 735 . 1 1 1 A 61 61 SER C C 61 172.560 173.530 -0.970 1
1 736 . 1 1 1 A 61 61 SER CA C 61 56.370 57.060 -0.690 1
1 737 . 1 1 1 A 61 61 SER CB C 61 65.600 65.975 -0.375 1
1 738 . 1 1 1 A 61 61 SER N N 61 115.130 115.553 -0.423 1
1 739 . 1 1 1 A 62 62 PHE H H 62 8.330 8.344 -0.014 1
1 740 . 1 1 1 A 62 62 PHE HA H 62 5.060 nan 5.060 1
1 745 . 1 1 1 A 62 62 PHE C C 62 172.600 172.872 -0.272 1
1 746 . 1 1 1 A 62 62 PHE CA C 62 56.370 55.510 0.860 1
1 747 . 1 1 1 A 62 62 PHE CB C 62 40.520 42.619 -2.099 1
1 750 . 1 1 1 A 62 62 PHE N N 62 117.430 118.717 -1.287 1
1 751 . 1 1 1 A 63 63 THR H H 63 9.710 8.964 0.746 1
1 752 . 1 1 1 A 63 63 THR HA H 63 5.550 nan 5.550 1
1 757 . 1 1 1 A 63 63 THR C C 63 175.450 174.694 0.756 1
1 758 . 1 1 1 A 63 63 THR CA C 63 61.060 62.051 -0.991 1
1 759 . 1 1 1 A 63 63 THR CB C 63 71.630 69.850 1.780 1
1 761 . 1 1 1 A 63 63 THR N N 63 119.630 116.605 3.025 1
1 762 . 1 1 1 A 64 64 LEU H H 64 9.250 8.805 0.445 1
1 763 . 1 1 1 A 64 64 LEU HA H 64 4.410 nan 4.410 1
1 773 . 1 1 1 A 64 64 LEU C C 64 178.310 177.835 0.475 1
1 774 . 1 1 1 A 64 64 LEU CA C 64 56.370 56.533 -0.163 1
1 775 . 1 1 1 A 64 64 LEU CB C 64 41.700 41.282 0.418 1
1 779 . 1 1 1 A 64 64 LEU N N 64 126.430 127.950 -1.520 1
1 780 . 1 1 1 A 65 65 GLY H H 65 9.121 9.292 -0.171 1
1 781 . 1 1 1 A 65 65 GLY HA2 H 65 4.280 4.054 0.226 1
1 782 . 1 1 1 A 65 65 GLY HA3 H 65 3.240 4.054 -0.814 1
1 783 . 1 1 1 A 65 65 GLY C C 65 173.200 173.446 -0.246 1
1 784 . 1 1 1 A 65 65 GLY CA C 65 45.800 45.565 0.235 1
1 785 . 1 1 1 A 65 65 GLY N N 65 107.310 112.747 -5.437 1
1 786 . 1 1 1 A 66 66 LYS H H 66 7.990 7.632 0.358 1
1 787 . 1 1 1 A 66 66 LYS HA H 66 4.790 nan 4.790 1
1 793 . 1 1 1 A 66 66 LYS C C 66 175.500 175.044 0.456 1
1 794 . 1 1 1 A 66 66 LYS CA C 66 54.000 54.296 -0.296 1
1 795 . 1 1 1 A 66 66 LYS CB C 66 34.660 36.252 -1.592 1
1 799 . 1 1 1 A 66 66 LYS N N 66 120.820 119.739 1.081 1
1 800 . 1 1 1 A 67 67 GLU H H 67 8.880 8.608 0.272 1
1 801 . 1 1 1 A 67 67 GLU HA H 67 4.290 nan 4.290 1
1 805 . 1 1 1 A 67 67 GLU C C 67 174.820 175.904 -1.084 1
1 806 . 1 1 1 A 67 67 GLU CA C 67 58.720 57.160 1.560 1
1 807 . 1 1 1 A 67 67 GLU CB C 67 29.960 30.459 -0.499 1
1 808 . 1 1 1 A 67 67 GLU N N 67 129.250 120.870 8.380 1
1 809 . 1 1 1 A 68 68 ALA H H 68 9.430 8.672 0.758 1
1 810 . 1 1 1 A 68 68 ALA HA H 68 4.920 nan 4.920 1
1 814 . 1 1 1 A 68 68 ALA C C 68 175.630 175.281 0.349 1
1 815 . 1 1 1 A 68 68 ALA CA C 68 50.490 50.107 0.383 1
1 816 . 1 1 1 A 68 68 ALA CB C 68 22.910 23.440 -0.530 1
1 817 . 1 1 1 A 68 68 ALA N N 68 130.330 128.094 2.236 1
1 818 . 1 1 1 A 69 69 ASP H H 69 8.380 8.939 -0.559 1
1 819 . 1 1 1 A 69 69 ASP HA H 69 5.210 nan 5.210 1
1 821 . 1 1 1 A 69 69 ASP C C 69 175.100 174.829 0.271 1
1 822 . 1 1 1 A 69 69 ASP CA C 69 53.440 53.245 0.195 1
1 823 . 1 1 1 A 69 69 ASP CB C 69 41.700 42.096 -0.396 1
1 824 . 1 1 1 A 69 69 ASP N N 69 119.630 120.413 -0.783 1
1 825 . 1 1 1 A 70 70 ILE H H 70 9.120 9.486 -0.366 1
1 826 . 1 1 1 A 70 70 ILE HA H 70 4.540 nan 4.540 1
1 836 . 1 1 1 A 70 70 ILE C C 70 175.390 175.129 0.261 1
1 837 . 1 1 1 A 70 70 ILE CA C 70 56.960 60.308 -3.348 1
1 838 . 1 1 1 A 70 70 ILE CB C 70 38.760 37.961 0.799 1
1 842 . 1 1 1 A 70 70 ILE N N 70 126.430 125.985 0.445 1
1 843 . 1 1 1 A 71 71 THR H H 71 9.460 8.982 0.478 1
1 844 . 1 1 1 A 71 71 THR HA H 71 5.310 nan 5.310 1
1 849 . 1 1 1 A 71 71 THR C C 71 174.985 174.440 0.545 1
1 850 . 1 1 1 A 71 71 THR CA C 71 61.650 61.964 -0.314 1
1 851 . 1 1 1 A 71 71 THR CB C 71 69.870 68.488 1.382 1
1 853 . 1 1 1 A 71 71 THR N N 71 123.630 123.365 0.265 1
1 854 . 1 1 1 A 72 72 THR H H 72 9.090 8.741 0.349 1
1 855 . 1 1 1 A 72 72 THR HA H 72 4.350 nan 4.350 1
1 860 . 1 1 1 A 72 72 THR C C 72 177.400 175.857 1.543 1
1 861 . 1 1 1 A 72 72 THR CA C 72 61.460 62.572 -1.112 1
1 862 . 1 1 1 A 72 72 THR CB C 72 69.870 69.330 0.540 1
1 864 . 1 1 1 A 72 72 THR N N 72 116.880 121.150 -4.270 1
1 865 . 1 1 1 A 73 73 MET HA H 73 4.140 nan 4.140 1
1 873 . 1 1 1 A 73 73 MET C C 73 176.100 177.750 -1.650 1
1 874 . 1 1 1 A 73 73 MET CA C 73 58.700 57.547 1.153 1
1 875 . 1 1 1 A 73 73 MET CB C 73 33.480 32.403 1.077 1
1 877 . 1 1 1 A 74 74 ASP H H 74 8.590 7.926 0.664 1
1 878 . 1 1 1 A 74 74 ASP HA H 74 4.637 nan 4.637 1
1 881 . 1 1 1 A 74 74 ASP C C 74 175.130 176.546 -1.416 1
1 882 . 1 1 1 A 74 74 ASP CA C 74 52.850 54.590 -1.740 1
1 883 . 1 1 1 A 74 74 ASP CB C 74 39.350 40.984 -1.634 1
1 884 . 1 1 1 A 74 74 ASP N N 74 112.930 118.560 -5.630 1
1 885 . 1 1 1 A 75 75 GLY H H 75 7.980 8.356 -0.376 1
1 886 . 1 1 1 A 75 75 GLY HA2 H 75 3.660 4.032 -0.372 1
1 887 . 1 1 1 A 75 75 GLY HA3 H 75 4.160 4.032 0.128 1
1 888 . 1 1 1 A 75 75 GLY C C 75 174.725 173.612 1.113 1
1 889 . 1 1 1 A 75 75 GLY CA C 75 45.800 45.489 0.311 1
1 890 . 1 1 1 A 75 75 GLY N N 75 107.880 106.756 1.124 1
1 891 . 1 1 1 A 76 76 LYS H H 76 7.850 7.664 0.186 1
1 892 . 1 1 1 A 76 76 LYS HA H 76 4.396 nan 4.396 1
1 898 . 1 1 1 A 76 76 LYS C C 76 174.820 175.598 -0.778 1
1 899 . 1 1 1 A 76 76 LYS CA C 76 55.780 54.736 1.044 1
1 900 . 1 1 1 A 76 76 LYS CB C 76 32.890 35.122 -2.232 1
1 904 . 1 1 1 A 76 76 LYS N N 76 121.380 116.162 5.218 1
1 905 . 1 1 1 A 77 77 LYS H H 77 8.210 8.648 -0.438 1
1 906 . 1 1 1 A 77 77 LYS HA H 77 5.410 nan 5.410 1
1 912 . 1 1 1 A 77 77 LYS C C 77 176.200 175.132 1.068 1
1 913 . 1 1 1 A 77 77 LYS CA C 77 54.600 55.910 -1.310 1
1 914 . 1 1 1 A 77 77 LYS CB C 77 34.060 33.461 0.599 1
1 918 . 1 1 1 A 77 77 LYS N N 77 119.130 121.724 -2.594 1
1 919 . 1 1 1 A 78 78 LEU H H 78 9.310 9.025 0.285 1
1 920 . 1 1 1 A 78 78 LEU HA H 78 4.790 nan 4.790 1
1 929 . 1 1 1 A 78 78 LEU C C 78 175.100 173.707 1.393 1
1 930 . 1 1 1 A 78 78 LEU CA C 78 54.000 53.588 0.412 1
1 931 . 1 1 1 A 78 78 LEU CB C 78 44.630 46.191 -1.561 1
1 935 . 1 1 1 A 78 78 LEU N N 78 123.630 122.007 1.623 1
1 936 . 1 1 1 A 79 79 LYS H H 79 8.430 8.939 -0.509 1
1 937 . 1 1 1 A 79 79 LYS HA H 79 5.530 nan 5.530 1
1 942 . 1 1 1 A 79 79 LYS CA C 79 54.020 54.741 -0.721 1
1 943 . 1 1 1 A 79 79 LYS CB C 79 32.890 34.908 -2.018 1
1 947 . 1 1 1 A 79 79 LYS N N 79 121.930 126.571 -4.641 1
1 948 . 1 1 1 A 80 80 CYS H H 80 8.910 8.772 0.138 1
1 949 . 1 1 1 A 80 80 CYS HA H 80 4.990 nan 4.990 1
1 952 . 1 1 1 A 80 80 CYS C C 80 175.870 172.217 3.653 1
1 953 . 1 1 1 A 80 80 CYS CA C 80 56.940 56.603 0.337 1
1 954 . 1 1 1 A 80 80 CYS CB C 80 31.130 31.589 -0.459 1
1 955 . 1 1 1 A 80 80 CYS N N 80 117.930 122.687 -4.757 1
1 956 . 1 1 1 A 81 81 THR H H 81 8.620 8.697 -0.077 1
1 957 . 1 1 1 A 81 81 THR HA H 81 5.210 nan 5.210 1
1 962 . 1 1 1 A 81 81 THR C C 81 172.330 173.154 -0.824 1
1 963 . 1 1 1 A 81 81 THR CA C 81 61.070 61.735 -0.665 1
1 964 . 1 1 1 A 81 81 THR CB C 81 69.870 70.197 -0.327 1
1 966 . 1 1 1 A 81 81 THR N N 81 116.330 115.296 1.034 1
1 967 . 1 1 1 A 82 82 VAL H H 82 9.510 8.616 0.894 1
1 968 . 1 1 1 A 82 82 VAL HA H 82 4.313 nan 4.313 1
1 976 . 1 1 1 A 82 82 VAL C C 82 175.200 174.699 0.501 1
1 977 . 1 1 1 A 82 82 VAL CA C 82 61.060 59.331 1.729 1
1 978 . 1 1 1 A 82 82 VAL CB C 82 32.300 34.612 -2.312 1
1 981 . 1 1 1 A 82 82 VAL N N 82 132.030 127.250 4.780 1
1 982 . 1 1 1 A 83 83 HIS H H 83 8.802 8.304 0.498 1
1 983 . 1 1 1 A 83 83 HIS HA H 83 4.973 nan 4.973 1
1 987 . 1 1 1 A 83 83 HIS C C 83 173.400 172.647 0.753 1
1 988 . 1 1 1 A 83 83 HIS CA C 83 55.020 53.587 1.433 1
1 989 . 1 1 1 A 83 83 HIS CB C 83 34.000 33.403 0.597 1
1 991 . 1 1 1 A 83 83 HIS N N 83 124.190 122.614 1.576 1
1 992 . 1 1 1 A 84 84 LEU H H 84 8.833 9.031 -0.198 1
1 993 . 1 1 1 A 84 84 LEU HA H 84 5.355 nan 5.355 1
1 1003 . 1 1 1 A 84 84 LEU C C 84 176.400 174.831 1.569 1
1 1004 . 1 1 1 A 84 84 LEU CA C 84 53.710 53.814 -0.104 1
1 1005 . 1 1 1 A 84 84 LEU CB C 84 44.050 44.108 -0.058 1
1 1009 . 1 1 1 A 84 84 LEU N N 84 122.500 124.366 -1.866 1
1 1010 . 1 1 1 A 85 85 ALA H H 85 9.406 8.846 0.560 1
1 1011 . 1 1 1 A 85 85 ALA HA H 85 4.760 nan 4.760 1
1 1015 . 1 1 1 A 85 85 ALA C C 85 176.900 177.098 -0.198 1
1 1016 . 1 1 1 A 85 85 ALA CA C 85 51.080 50.721 0.359 1
1 1017 . 1 1 1 A 85 85 ALA CB C 85 20.460 20.524 -0.064 1
1 1018 . 1 1 1 A 85 85 ALA N N 85 130.380 129.488 0.892 1
1 1019 . 1 1 1 A 86 86 ASN HA H 86 4.450 nan 4.450 1
1 1024 . 1 1 1 A 86 86 ASN C C 86 175.200 175.587 -0.387 1
1 1025 . 1 1 1 A 86 86 ASN CA C 86 54.020 54.552 -0.532 1
1 1026 . 1 1 1 A 86 86 ASN CB C 86 34.790 37.355 -2.565 1
1 1028 . 1 1 1 A 87 87 GLY H H 87 8.600 8.632 -0.032 1
1 1029 . 1 1 1 A 87 87 GLY HA2 H 87 3.757 3.960 -0.203 1
1 1030 . 1 1 1 A 87 87 GLY HA3 H 87 4.326 3.960 0.366 1
1 1031 . 1 1 1 A 87 87 GLY C C 87 172.970 173.648 -0.678 1
1 1032 . 1 1 1 A 87 87 GLY CA C 87 45.800 45.439 0.361 1
1 1033 . 1 1 1 A 87 87 GLY N N 87 102.830 103.980 -1.150 1
1 1034 . 1 1 1 A 88 88 LYS H H 88 7.927 7.680 0.247 1
1 1035 . 1 1 1 A 88 88 LYS HA H 88 5.108 nan 5.108 1
1 1041 . 1 1 1 A 88 88 LYS C C 88 175.280 175.194 0.086 1
1 1042 . 1 1 1 A 88 88 LYS CA C 88 54.590 54.908 -0.318 1
1 1043 . 1 1 1 A 88 88 LYS CB C 88 34.660 34.692 -0.032 1
1 1047 . 1 1 1 A 88 88 LYS N N 88 120.230 121.419 -1.189 1
1 1048 . 1 1 1 A 89 89 LEU H H 89 8.610 9.056 -0.446 1
1 1049 . 1 1 1 A 89 89 LEU HA H 89 5.200 nan 5.200 1
1 1058 . 1 1 1 A 89 89 LEU C C 89 175.400 175.509 -0.109 1
1 1059 . 1 1 1 A 89 89 LEU CA C 89 54.000 53.762 0.238 1
1 1060 . 1 1 1 A 89 89 LEU CB C 89 41.700 41.042 0.658 1
1 1064 . 1 1 1 A 89 89 LEU N N 89 122.430 128.984 -6.554 1
1 1065 . 1 1 1 A 90 90 VAL H H 90 9.470 8.131 1.339 1
1 1066 . 1 1 1 A 90 90 VAL HA H 90 4.558 nan 4.558 1
1 1071 . 1 1 1 A 90 90 VAL C C 90 175.020 175.091 -0.071 1
1 1072 . 1 1 1 A 90 90 VAL CA C 90 61.200 60.987 0.213 1
1 1073 . 1 1 1 A 90 90 VAL CB C 90 32.550 33.103 -0.553 1
1 1075 . 1 1 1 A 90 90 VAL N N 90 122.500 125.458 -2.958 1
1 1076 . 1 1 1 A 91 91 THR H H 91 8.830 8.576 0.254 1
1 1077 . 1 1 1 A 91 91 THR HA H 91 4.760 nan 4.760 1
1 1082 . 1 1 1 A 91 91 THR C C 91 173.200 172.170 1.030 1
1 1083 . 1 1 1 A 91 91 THR CA C 91 62.190 60.493 1.697 1
1 1084 . 1 1 1 A 91 91 THR CB C 91 69.870 70.851 -0.981 1
1 1086 . 1 1 1 A 91 91 THR N N 91 124.190 119.862 4.328 1
1 1087 . 1 1 1 A 92 92 LYS H H 92 9.170 8.720 0.450 1
1 1088 . 1 1 1 A 92 92 LYS HA H 92 4.758 nan 4.758 1
1 1094 . 1 1 1 A 92 92 LYS C C 92 174.440 174.517 -0.077 1
1 1095 . 1 1 1 A 92 92 LYS CA C 92 55.180 55.913 -0.733 1
1 1096 . 1 1 1 A 92 92 LYS CB C 92 35.240 36.670 -1.430 1
1 1100 . 1 1 1 A 92 92 LYS N N 92 125.330 128.214 -2.884 1
1 1101 . 1 1 1 A 93 93 SER H H 93 8.320 9.010 -0.690 1
1 1103 . 1 1 1 A 93 93 SER C C 93 173.740 174.460 -0.720 1
1 1104 . 1 1 1 A 93 93 SER CA C 93 55.200 57.382 -2.182 1
1 1105 . 1 1 1 A 93 93 SER CB C 93 62.000 66.643 -4.643 1
1 1106 . 1 1 1 A 93 93 SER N N 93 118.030 119.368 -1.338 1
1 1107 . 1 1 1 A 94 94 GLU H H 94 8.760 8.812 -0.052 1
1 1108 . 1 1 1 A 94 94 GLU HA H 94 4.310 nan 4.310 1
1 1109 . 1 1 1 A 94 94 GLU CA C 94 54.100 60.239 -6.139 1
1 1110 . 1 1 1 A 94 94 GLU N N 94 120.810 122.217 -1.407 1
1 1118 . 1 1 1 A 95 95 LYS CB C 95 34.650 33.609 1.041 1
1 1122 . 1 1 1 A 96 96 PHE H H 96 7.140 7.749 -0.609 1
1 1123 . 1 1 1 A 96 96 PHE HA H 96 5.810 nan 5.810 1
1 1128 . 1 1 1 A 96 96 PHE CA C 96 56.350 56.123 0.227 1
1 1129 . 1 1 1 A 96 96 PHE CB C 96 43.460 42.420 1.040 1
1 1132 . 1 1 1 A 96 96 PHE N N 96 113.530 122.885 -9.355 1
1 1133 . 1 1 1 A 97 97 SER H H 97 8.660 8.095 0.565 1
1 1134 . 1 1 1 A 97 97 SER HA H 97 5.810 nan 5.810 1
1 1137 . 1 1 1 A 97 97 SER CA C 97 57.540 56.834 0.706 1
1 1138 . 1 1 1 A 97 97 SER CB C 97 66.350 65.728 0.622 1
1 1139 . 1 1 1 A 97 97 SER N N 97 111.810 123.495 -11.685 1
1 1140 . 1 1 1 A 98 98 HIS H H 98 9.440 8.131 1.309 1
1 1141 . 1 1 1 A 98 98 HIS HA H 98 5.780 nan 5.780 1
1 1145 . 1 1 1 A 98 98 HIS CA C 98 58.580 54.648 3.932 1
1 1146 . 1 1 1 A 98 98 HIS CB C 98 35.240 33.098 2.142 1
1 1147 . 1 1 1 A 98 98 HIS N N 98 125.830 124.692 1.138 1
1 1148 . 1 1 1 A 99 99 GLU HA H 99 5.410 nan 5.410 1
1 1152 . 1 1 1 A 99 99 GLU CA C 99 54.600 54.151 0.449 1
1 1153 . 1 1 1 A 99 99 GLU CB C 99 34.060 33.200 0.860 1
1 1155 . 1 1 1 A 100 100 GLN H H 100 9.060 8.470 0.590 1
1 1156 . 1 1 1 A 100 100 GLN HA H 100 5.150 nan 5.150 1
1 1161 . 1 1 1 A 100 100 GLN CA C 100 53.000 54.631 -1.631 1
1 1162 . 1 1 1 A 100 100 GLN CB C 100 34.060 33.053 1.007 1
1 1163 . 1 1 1 A 100 100 GLN N N 100 124.730 123.090 1.640 1
1 1164 . 1 1 1 A 101 101 GLU H H 101 9.110 8.813 0.297 1
1 1165 . 1 1 1 A 101 101 GLU HA H 101 5.110 nan 5.110 1
1 1168 . 1 1 1 A 101 101 GLU C C 101 173.630 174.921 -1.291 1
1 1169 . 1 1 1 A 101 101 GLU CA C 101 54.600 55.255 -0.655 1
1 1170 . 1 1 1 A 101 101 GLU CB C 101 33.480 30.876 2.604 1
1 1171 . 1 1 1 A 101 101 GLU N N 101 126.430 121.138 5.292 1
1 1172 . 1 1 1 A 102 102 VAL H H 102 8.900 9.012 -0.112 1
1 1173 . 1 1 1 A 102 102 VAL HA H 102 4.650 nan 4.650 1
1 1181 . 1 1 1 A 102 102 VAL C C 102 175.060 175.256 -0.196 1
1 1182 . 1 1 1 A 102 102 VAL CA C 102 61.020 61.663 -0.643 1
1 1183 . 1 1 1 A 102 102 VAL CB C 102 34.060 31.999 2.061 1
1 1186 . 1 1 1 A 102 102 VAL N N 102 125.310 125.670 -0.360 1
1 1187 . 1 1 1 A 103 103 LYS H H 103 9.007 8.606 0.401 1
1 1188 . 1 1 1 A 103 103 LYS HA H 103 4.660 nan 4.660 1
1 1194 . 1 1 1 A 103 103 LYS C C 103 176.600 176.633 -0.033 1
1 1195 . 1 1 1 A 103 103 LYS CA C 103 55.180 55.018 0.162 1
1 1196 . 1 1 1 A 103 103 LYS CB C 103 33.480 34.675 -1.195 1
1 1200 . 1 1 1 A 103 103 LYS N N 103 129.210 126.134 3.076 1
1 1201 . 1 1 1 A 104 104 GLY H H 104 9.190 9.045 0.145 1
1 1202 . 1 1 1 A 104 104 GLY HA2 H 104 3.760 3.962 -0.202 1
1 1203 . 1 1 1 A 104 104 GLY HA3 H 104 4.080 3.962 0.118 1
1 1204 . 1 1 1 A 104 104 GLY C C 104 174.000 174.712 -0.712 1
1 1205 . 1 1 1 A 104 104 GLY CA C 104 47.380 47.382 -0.002 1
1 1206 . 1 1 1 A 104 104 GLY N N 104 117.410 114.416 2.994 1
1 1207 . 1 1 1 A 105 105 ASN H H 105 9.120 8.803 0.317 1
1 1208 . 1 1 1 A 105 105 ASN HA H 105 5.050 nan 5.050 1
1 1213 . 1 1 1 A 105 105 ASN C C 105 173.440 173.790 -0.350 1
1 1214 . 1 1 1 A 105 105 ASN CA C 105 52.830 52.617 0.213 1
1 1215 . 1 1 1 A 105 105 ASN CB C 105 39.350 39.484 -0.134 1
1 1216 . 1 1 1 A 105 105 ASN N N 105 126.410 124.663 1.747 1
1 1217 . 1 1 1 A 106 106 GLU H H 106 8.153 7.382 0.771 1
1 1218 . 1 1 1 A 106 106 GLU HA H 106 5.610 nan 5.610 1
1 1223 . 1 1 1 A 106 106 GLU C C 106 173.490 173.916 -0.426 1
1 1224 . 1 1 1 A 106 106 GLU CA C 106 55.200 55.471 -0.271 1
1 1225 . 1 1 1 A 106 106 GLU CB C 106 32.890 33.272 -0.382 1
1 1227 . 1 1 1 A 106 106 GLU N N 106 120.250 120.467 -0.217 1
1 1228 . 1 1 1 A 107 107 MET H H 107 8.970 8.937 0.033 1
1 1229 . 1 1 1 A 107 107 MET HA H 107 5.137 nan 5.137 1
1 1237 . 1 1 1 A 107 107 MET C C 107 174.790 174.504 0.286 1
1 1238 . 1 1 1 A 107 107 MET CA C 107 54.320 53.384 0.936 1
1 1239 . 1 1 1 A 107 107 MET CB C 107 35.830 33.627 2.203 1
1 1242 . 1 1 1 A 107 107 MET N N 107 124.190 125.769 -1.579 1
1 1243 . 1 1 1 A 108 108 VAL H H 108 9.140 8.620 0.520 1
1 1244 . 1 1 1 A 108 108 VAL HA H 108 4.820 nan 4.820 1
1 1249 . 1 1 1 A 108 108 VAL C C 108 175.200 175.075 0.125 1
1 1250 . 1 1 1 A 108 108 VAL CA C 108 61.040 60.321 0.719 1
1 1251 . 1 1 1 A 108 108 VAL CB C 108 34.070 33.693 0.377 1
1 1253 . 1 1 1 A 108 108 VAL N N 108 126.440 122.802 3.638 1
1 1254 . 1 1 1 A 109 109 GLU H H 109 9.169 8.525 0.644 1
1 1255 . 1 1 1 A 109 109 GLU HA H 109 5.440 nan 5.440 1
1 1259 . 1 1 1 A 109 109 GLU C C 109 174.260 174.772 -0.512 1
1 1260 . 1 1 1 A 109 109 GLU CA C 109 53.700 54.192 -0.492 1
1 1261 . 1 1 1 A 109 109 GLU CB C 109 32.290 33.281 -0.991 1
1 1263 . 1 1 1 A 109 109 GLU N N 109 128.110 124.674 3.436 1
1 1264 . 1 1 1 A 110 110 THR H H 110 8.920 8.059 0.861 1
1 1265 . 1 1 1 A 110 110 THR HA H 110 5.174 nan 5.174 1
1 1270 . 1 1 1 A 110 110 THR C C 110 174.780 173.287 1.493 1
1 1271 . 1 1 1 A 110 110 THR CA C 110 60.700 61.553 -0.853 1
1 1272 . 1 1 1 A 110 110 THR CB C 110 69.870 70.099 -0.229 1
1 1274 . 1 1 1 A 110 110 THR N N 110 119.130 115.777 3.353 1
1 1275 . 1 1 1 A 111 111 ILE H H 111 9.410 9.086 0.324 1
1 1276 . 1 1 1 A 111 111 ILE HA H 111 5.320 nan 5.320 1
1 1286 . 1 1 1 A 111 111 ILE C C 111 174.820 174.315 0.505 1
1 1287 . 1 1 1 A 111 111 ILE CA C 111 60.310 59.315 0.995 1
1 1288 . 1 1 1 A 111 111 ILE CB C 111 40.520 40.156 0.364 1
1 1292 . 1 1 1 A 111 111 ILE N N 111 128.110 128.207 -0.097 1
1 1293 . 1 1 1 A 112 112 THR H H 112 9.346 8.252 1.094 1
1 1294 . 1 1 1 A 112 112 THR HA H 112 5.840 nan 5.840 1
1 1299 . 1 1 1 A 112 112 THR C C 112 173.920 173.692 0.228 1
1 1300 . 1 1 1 A 112 112 THR CA C 112 61.070 61.414 -0.344 1
1 1301 . 1 1 1 A 112 112 THR CB C 112 70.460 68.527 1.933 1
1 1303 . 1 1 1 A 112 112 THR N N 112 123.630 123.463 0.167 1
1 1304 . 1 1 1 A 113 113 PHE H H 113 9.330 8.033 1.297 1
1 1305 . 1 1 1 A 113 113 PHE HA H 113 4.861 nan 4.861 1
1 1310 . 1 1 1 A 113 113 PHE C C 113 175.430 175.985 -0.555 1
1 1311 . 1 1 1 A 113 113 PHE CA C 113 58.700 55.645 3.055 1
1 1312 . 1 1 1 A 113 113 PHE CB C 113 43.150 41.657 1.493 1
1 1315 . 1 1 1 A 113 113 PHE N N 113 125.330 122.614 2.716 1
1 1316 . 1 1 1 A 114 114 GLY H H 114 8.485 9.195 -0.710 1
1 1317 . 1 1 1 A 114 114 GLY HA2 H 114 3.500 4.081 -0.581 1
1 1318 . 1 1 1 A 114 114 GLY HA3 H 114 3.500 4.081 -0.581 1
1 1319 . 1 1 1 A 114 114 GLY C C 114 175.180 174.173 1.007 1
1 1320 . 1 1 1 A 114 114 GLY CA C 114 46.700 46.060 0.640 1
1 1321 . 1 1 1 A 114 114 GLY N N 114 115.730 111.111 4.619 1
1 1322 . 1 1 1 A 115 115 GLY H H 115 8.582 8.615 -0.033 1
1 1323 . 1 1 1 A 115 115 GLY HA2 H 115 3.637 4.115 -0.478 1
1 1324 . 1 1 1 A 115 115 GLY HA3 H 115 4.196 4.115 0.081 1
1 1325 . 1 1 1 A 115 115 GLY C C 115 173.680 174.588 -0.908 1
1 1326 . 1 1 1 A 115 115 GLY CA C 115 44.480 45.484 -1.004 1
1 1327 . 1 1 1 A 115 115 GLY N N 115 105.040 107.814 -2.774 1
1 1328 . 1 1 1 A 116 116 VAL H H 116 8.199 7.894 0.305 1
1 1329 . 1 1 1 A 116 116 VAL HA H 116 4.353 nan 4.353 1
1 1337 . 1 1 1 A 116 116 VAL C C 116 174.100 175.202 -1.102 1
1 1338 . 1 1 1 A 116 116 VAL CA C 116 61.650 61.270 0.380 1
1 1339 . 1 1 1 A 116 116 VAL CB C 116 33.970 33.619 0.351 1
1 1342 . 1 1 1 A 116 116 VAL N N 116 123.630 121.730 1.900 1
1 1343 . 1 1 1 A 117 117 THR H H 117 8.797 8.503 0.294 1
1 1344 . 1 1 1 A 117 117 THR HA H 117 5.323 nan 5.323 1
1 1349 . 1 1 1 A 117 117 THR C C 117 173.510 173.091 0.419 1
1 1350 . 1 1 1 A 117 117 THR CA C 117 61.650 61.802 -0.152 1
1 1351 . 1 1 1 A 117 117 THR CB C 117 69.840 70.031 -0.191 1
1 1353 . 1 1 1 A 117 117 THR N N 117 123.030 121.143 1.887 1
1 1354 . 1 1 1 A 118 118 LEU H H 118 9.491 8.869 0.622 1
1 1355 . 1 1 1 A 118 118 LEU HA H 118 4.800 nan 4.800 1
1 1365 . 1 1 1 A 118 118 LEU C C 118 175.250 174.527 0.723 1
1 1366 . 1 1 1 A 118 118 LEU CA C 118 53.420 53.477 -0.057 1
1 1367 . 1 1 1 A 118 118 LEU CB C 118 43.970 44.767 -0.797 1
1 1371 . 1 1 1 A 118 118 LEU N N 118 131.530 129.307 2.223 1
1 1372 . 1 1 1 A 119 119 ILE H H 119 7.902 8.902 -1.000 1
1 1373 . 1 1 1 A 119 119 ILE HA H 119 5.127 nan 5.127 1
1 1383 . 1 1 1 A 119 119 ILE C C 119 175.450 173.948 1.502 1
1 1384 . 1 1 1 A 119 119 ILE CA C 119 59.780 60.148 -0.368 1
1 1385 . 1 1 1 A 119 119 ILE CB C 119 39.350 39.898 -0.548 1
1 1389 . 1 1 1 A 119 119 ILE N N 119 125.320 125.191 0.129 1
1 1390 . 1 1 1 A 120 120 ARG H H 120 9.550 8.933 0.617 1
1 1391 . 1 1 1 A 120 120 ARG HA H 120 5.420 nan 5.420 1
1 1395 . 1 1 1 A 120 120 ARG C C 120 174.890 174.238 0.652 1
1 1396 . 1 1 1 A 120 120 ARG CA C 120 54.610 54.233 0.377 1
1 1397 . 1 1 1 A 120 120 ARG CB C 120 34.060 33.397 0.663 1
1 1400 . 1 1 1 A 120 120 ARG N N 120 126.430 129.200 -2.770 1
1 1401 . 1 1 1 A 121 121 ARG H H 121 9.250 8.763 0.487 1
1 1402 . 1 1 1 A 121 121 ARG HA H 121 5.410 nan 5.410 1
1 1409 . 1 1 1 A 121 121 ARG C C 121 174.780 174.614 0.166 1
1 1410 . 1 1 1 A 121 121 ARG CA C 121 54.770 55.055 -0.285 1
1 1411 . 1 1 1 A 121 121 ARG CB C 121 31.650 31.599 0.051 1
1 1414 . 1 1 1 A 121 121 ARG N N 121 128.130 128.496 -0.366 1
1 1415 . 1 1 1 A 122 122 SER H H 122 9.617 8.725 0.892 1
1 1416 . 1 1 1 A 122 122 SER HA H 122 5.819 nan 5.819 1
1 1419 . 1 1 1 A 122 122 SER C C 122 172.460 174.256 -1.796 1
1 1420 . 1 1 1 A 122 122 SER CA C 122 57.540 58.051 -0.511 1
1 1421 . 1 1 1 A 122 122 SER CB C 122 66.939 63.835 3.104 1
1 1422 . 1 1 1 A 122 122 SER N N 122 118.000 124.123 -6.123 1
1 1423 . 1 1 1 A 123 123 LYS H H 123 8.699 9.388 -0.689 1
1 1424 . 1 1 1 A 123 123 LYS HA H 123 5.801 nan 5.801 1
1 1430 . 1 1 1 A 123 123 LYS C C 123 175.440 177.376 -1.936 1
1 1431 . 1 1 1 A 123 123 LYS CA C 123 53.430 54.836 -1.406 1
1 1432 . 1 1 1 A 123 123 LYS CB C 123 35.830 34.197 1.633 1
1 1436 . 1 1 1 A 123 123 LYS N N 123 120.260 124.912 -4.652 1
1 1437 . 1 1 1 A 124 124 ARG H H 124 8.256 8.441 -0.185 1
1 1438 . 1 1 1 A 124 124 ARG HA H 124 4.040 nan 4.040 1
1 1445 . 1 1 1 A 124 124 ARG C C 124 176.530 175.948 0.582 1
1 1446 . 1 1 1 A 124 124 ARG CA C 124 56.960 55.985 0.975 1
1 1447 . 1 1 1 A 124 124 ARG CB C 124 30.540 28.976 1.564 1
1 1450 . 1 1 1 A 124 124 ARG N N 124 124.780 118.932 5.848 1
1 7 . 2 1 1 A 2 2 PHE H H 2 8.500 8.578 -0.078 1
1 8 . 2 1 1 A 2 2 PHE HA H 2 4.440 4.827 -0.387 1
1 12 . 2 1 1 A 2 2 PHE C C 2 175.800 175.583 0.217 1
1 13 . 2 1 1 A 2 2 PHE CA C 2 61.060 58.918 2.142 1
1 14 . 2 1 1 A 2 2 PHE CB C 2 40.690 42.230 -1.540 1
1 16 . 2 1 1 A 2 2 PHE N N 2 115.730 123.732 -8.002 1
1 17 . 2 1 1 A 3 3 SER H H 3 8.110 8.114 -0.004 1
1 18 . 2 1 1 A 3 3 SER HA H 3 4.500 4.362 0.138 1
1 20 . 2 1 1 A 3 3 SER C C 3 174.470 174.550 -0.080 1
1 21 . 2 1 1 A 3 3 SER CA C 3 59.890 60.523 -0.633 1
1 22 . 2 1 1 A 3 3 SER CB C 3 60.610 64.202 -3.592 1
1 23 . 2 1 1 A 3 3 SER N N 3 111.250 115.799 -4.549 1
1 24 . 2 1 1 A 4 4 GLY H H 4 9.130 8.804 0.326 1
1 25 . 2 1 1 A 4 4 GLY HA2 H 4 4.081 4.195 -0.114 1
1 26 . 2 1 1 A 4 4 GLY HA3 H 4 3.896 4.195 -0.299 1
1 27 . 2 1 1 A 4 4 GLY C C 4 170.770 171.581 -0.811 1
1 28 . 2 1 1 A 4 4 GLY CA C 4 44.040 44.718 -0.678 1
1 29 . 2 1 1 A 4 4 GLY N N 4 111.720 110.572 1.148 1
1 30 . 2 1 1 A 5 5 THR H H 5 8.306 8.060 0.246 1
1 31 . 2 1 1 A 5 5 THR HA H 5 4.980 5.001 -0.021 1
1 36 . 2 1 1 A 5 5 THR C C 5 172.600 173.710 -1.110 1
1 37 . 2 1 1 A 5 5 THR CA C 5 62.800 62.218 0.582 1
1 38 . 2 1 1 A 5 5 THR CB C 5 68.690 69.787 -1.097 1
1 40 . 2 1 1 A 5 5 THR N N 5 117.930 115.348 2.582 1
1 41 . 2 1 1 A 6 6 TRP H H 6 9.590 9.451 0.139 1
1 42 . 2 1 1 A 6 6 TRP HA H 6 5.180 5.298 -0.118 1
1 51 . 2 1 1 A 6 6 TRP C C 6 175.170 175.062 0.108 1
1 52 . 2 1 1 A 6 6 TRP CA C 6 55.190 55.702 -0.512 1
1 53 . 2 1 1 A 6 6 TRP CB C 6 31.720 33.009 -1.289 1
1 58 . 2 1 1 A 6 6 TRP N N 6 127.530 126.320 1.210 1
1 59 . 2 1 1 A 7 7 GLN H H 7 9.359 9.372 -0.013 1
1 60 . 2 1 1 A 7 7 GLN HA H 7 5.052 4.765 0.287 1
1 67 . 2 1 1 A 7 7 GLN C C 7 175.870 175.016 0.854 1
1 68 . 2 1 1 A 7 7 GLN CA C 7 54.020 54.893 -0.873 1
1 69 . 2 1 1 A 7 7 GLN CB C 7 31.700 29.845 1.855 1
1 71 . 2 1 1 A 7 7 GLN N N 7 122.500 124.023 -1.523 1
1 73 . 2 1 1 A 8 8 VAL H H 8 8.590 8.775 -0.185 1
1 74 . 2 1 1 A 8 8 VAL HA H 8 4.511 4.626 -0.115 1
1 82 . 2 1 1 A 8 8 VAL C C 8 175.850 175.236 0.614 1
1 83 . 2 1 1 A 8 8 VAL CA C 8 63.420 62.034 1.386 1
1 84 . 2 1 1 A 8 8 VAL CB C 8 31.720 33.133 -1.413 1
1 87 . 2 1 1 A 8 8 VAL N N 8 131.500 124.019 7.481 1
1 88 . 2 1 1 A 9 9 TYR H H 9 9.595 9.115 0.480 1
1 89 . 2 1 1 A 9 9 TYR HA H 9 5.184 5.487 -0.303 1
1 94 . 2 1 1 A 9 9 TYR C C 9 174.140 173.688 0.452 1
1 95 . 2 1 1 A 9 9 TYR CA C 9 56.370 56.320 0.050 1
1 96 . 2 1 1 A 9 9 TYR CB C 9 40.530 41.430 -0.900 1
1 99 . 2 1 1 A 9 9 TYR N N 9 123.060 120.434 2.626 1
1 100 . 2 1 1 A 10 10 ALA H H 10 7.380 8.468 -1.088 1
1 101 . 2 1 1 A 10 10 ALA HA H 10 4.720 4.884 -0.164 1
1 105 . 2 1 1 A 10 10 ALA C C 10 175.100 175.727 -0.627 1
1 106 . 2 1 1 A 10 10 ALA CA C 10 51.660 51.367 0.293 1
1 107 . 2 1 1 A 10 10 ALA CB C 10 22.330 23.385 -1.055 1
1 108 . 2 1 1 A 10 10 ALA N N 10 125.830 122.452 3.378 1
1 109 . 2 1 1 A 11 11 GLN H H 11 8.761 8.688 0.073 1
1 110 . 2 1 1 A 11 11 GLN HA H 11 5.289 4.533 0.756 1
1 115 . 2 1 1 A 11 11 GLN C C 11 174.400 175.534 -1.134 1
1 116 . 2 1 1 A 11 11 GLN CA C 11 54.020 55.770 -1.750 1
1 117 . 2 1 1 A 11 11 GLN CB C 11 32.310 31.137 1.173 1
1 119 . 2 1 1 A 11 11 GLN N N 11 118.530 116.766 1.764 1
1 120 . 2 1 1 A 12 12 GLU H H 12 9.353 7.524 1.829 1
1 121 . 2 1 1 A 12 12 GLU HA H 12 4.670 4.385 0.285 1
1 126 . 2 1 1 A 12 12 GLU C C 12 176.600 176.786 -0.186 1
1 127 . 2 1 1 A 12 12 GLU CA C 12 55.780 57.170 -1.390 1
1 128 . 2 1 1 A 12 12 GLU CB C 12 31.720 29.531 2.189 1
1 130 . 2 1 1 A 12 12 GLU N N 12 123.630 120.795 2.835 1
1 131 . 2 1 1 A 13 13 ASN H H 13 9.240 9.303 -0.063 1
1 132 . 2 1 1 A 13 13 ASN HA H 13 4.780 4.429 0.351 1
1 137 . 2 1 1 A 13 13 ASN C C 13 175.720 174.913 0.807 1
1 138 . 2 1 1 A 13 13 ASN CA C 13 54.010 54.587 -0.577 1
1 139 . 2 1 1 A 13 13 ASN CB C 13 44.800 36.868 7.932 1
1 140 . 2 1 1 A 13 13 ASN N N 13 117.430 120.000 -2.570 1
1 142 . 2 1 1 A 14 14 TYR HA H 14 4.540 4.402 0.138 1
1 147 . 2 1 1 A 14 14 TYR C C 14 177.100 177.515 -0.415 1
1 148 . 2 1 1 A 14 14 TYR CA C 14 59.890 61.996 -2.106 1
1 149 . 2 1 1 A 14 14 TYR CB C 14 39.350 39.005 0.345 1
1 152 . 2 1 1 A 14 14 TYR N N 14 118.530 119.601 -1.071 1
1 153 . 2 1 1 A 15 15 GLU H H 15 8.970 8.386 0.584 1
1 154 . 2 1 1 A 15 15 GLU HA H 15 3.680 4.459 -0.779 1
1 157 . 2 1 1 A 15 15 GLU C C 15 179.100 178.044 1.056 1
1 158 . 2 1 1 A 15 15 GLU CA C 15 61.070 57.854 3.216 1
1 159 . 2 1 1 A 15 15 GLU CB C 15 28.200 29.227 -1.027 1
1 161 . 2 1 1 A 15 15 GLU N N 15 117.930 118.991 -1.061 1
1 162 . 2 1 1 A 16 16 GLU H H 16 9.020 7.882 1.138 1
1 163 . 2 1 1 A 16 16 GLU HA H 16 3.950 4.173 -0.223 1
1 167 . 2 1 1 A 16 16 GLU C C 16 179.200 177.963 1.237 1
1 168 . 2 1 1 A 16 16 GLU CA C 16 59.890 58.801 1.089 1
1 169 . 2 1 1 A 16 16 GLU CB C 16 28.200 30.763 -2.563 1
1 171 . 2 1 1 A 16 16 GLU N N 16 118.530 121.102 -2.572 1
1 172 . 2 1 1 A 17 17 PHE H H 17 8.490 7.538 0.952 1
1 173 . 2 1 1 A 17 17 PHE HA H 17 4.130 4.807 -0.677 1
1 178 . 2 1 1 A 17 17 PHE C C 17 176.000 176.928 -0.928 1
1 179 . 2 1 1 A 17 17 PHE CA C 17 62.240 58.493 3.747 1
1 180 . 2 1 1 A 17 17 PHE CB C 17 39.930 39.227 0.703 1
1 183 . 2 1 1 A 17 17 PHE N N 17 124.190 120.809 3.381 1
1 184 . 2 1 1 A 18 18 LEU H H 18 8.460 7.185 1.275 1
1 185 . 2 1 1 A 18 18 LEU HA H 18 3.770 3.937 -0.167 1
1 195 . 2 1 1 A 18 18 LEU C C 18 179.500 178.818 0.682 1
1 196 . 2 1 1 A 18 18 LEU CA C 18 58.130 58.326 -0.196 1
1 197 . 2 1 1 A 18 18 LEU CB C 18 41.100 41.797 -0.697 1
1 201 . 2 1 1 A 18 18 LEU N N 18 117.430 120.277 -2.847 1
1 202 . 2 1 1 A 19 19 LYS H H 19 7.760 7.976 -0.216 1
1 203 . 2 1 1 A 19 19 LYS HA H 19 4.120 4.205 -0.085 1
1 209 . 2 1 1 A 19 19 LYS C C 19 180.710 178.922 1.788 1
1 210 . 2 1 1 A 19 19 LYS CA C 19 58.720 59.019 -0.299 1
1 211 . 2 1 1 A 19 19 LYS CB C 19 31.720 31.756 -0.036 1
1 215 . 2 1 1 A 19 19 LYS N N 19 116.830 117.387 -0.557 1
1 216 . 2 1 1 A 20 20 ALA H H 20 8.050 7.692 0.358 1
1 217 . 2 1 1 A 20 20 ALA HA H 20 4.270 4.200 0.070 1
1 221 . 2 1 1 A 20 20 ALA C C 20 179.050 178.835 0.215 1
1 222 . 2 1 1 A 20 20 ALA CA C 20 54.600 53.735 0.865 1
1 223 . 2 1 1 A 20 20 ALA CB C 20 17.630 17.459 0.171 1
1 224 . 2 1 1 A 20 20 ALA N N 20 125.880 122.395 3.485 1
1 225 . 2 1 1 A 21 21 LEU H H 21 7.330 7.488 -0.158 1
1 226 . 2 1 1 A 21 21 LEU HA H 21 3.780 4.242 -0.462 1
1 236 . 2 1 1 A 21 21 LEU C C 21 175.540 177.321 -1.781 1
1 237 . 2 1 1 A 21 21 LEU CA C 21 55.200 57.447 -2.247 1
1 238 . 2 1 1 A 21 21 LEU CB C 21 41.700 42.309 -0.609 1
1 242 . 2 1 1 A 21 21 LEU N N 21 115.750 119.490 -3.740 1
1 243 . 2 1 1 A 22 22 ALA H H 22 7.990 7.446 0.544 1
1 244 . 2 1 1 A 22 22 ALA HA H 22 4.010 4.563 -0.553 1
1 248 . 2 1 1 A 22 22 ALA C C 22 177.000 176.284 0.716 1
1 249 . 2 1 1 A 22 22 ALA CA C 22 52.260 51.354 0.906 1
1 250 . 2 1 1 A 22 22 ALA CB C 22 16.460 20.030 -3.570 1
1 251 . 2 1 1 A 22 22 ALA N N 22 118.000 119.630 -1.630 1
1 252 . 2 1 1 A 23 23 LEU H H 23 7.010 6.969 0.041 1
1 253 . 2 1 1 A 23 23 LEU HA H 23 4.440 4.696 -0.256 1
1 263 . 2 1 1 A 23 23 LEU C C 23 174.650 176.185 -1.535 1
1 264 . 2 1 1 A 23 23 LEU CA C 23 53.440 51.014 2.426 1
1 265 . 2 1 1 A 23 23 LEU CB C 23 41.700 42.794 -1.094 1
1 269 . 2 1 1 A 23 23 LEU N N 23 119.130 120.073 -0.943 1
1 270 . 2 1 1 A 24 24 PRO HA H 24 4.570 4.580 -0.010 1
1 277 . 2 1 1 A 24 24 PRO C C 24 177.830 177.939 -0.109 1
1 278 . 2 1 1 A 24 24 PRO CA C 24 62.240 63.296 -1.056 1
1 279 . 2 1 1 A 24 24 PRO CB C 24 32.310 31.413 0.897 1
1 282 . 2 1 1 A 25 25 GLU H H 25 8.910 8.146 0.764 1
1 283 . 2 1 1 A 25 25 GLU HA H 25 3.900 4.004 -0.104 1
1 288 . 2 1 1 A 25 25 GLU C C 25 178.140 176.261 1.879 1
1 289 . 2 1 1 A 25 25 GLU CA C 25 59.890 59.118 0.772 1
1 290 . 2 1 1 A 25 25 GLU CB C 25 29.370 27.475 1.895 1
1 292 . 2 1 1 A 25 25 GLU N N 25 122.500 113.719 8.781 1
1 293 . 2 1 1 A 26 26 ASP H H 26 9.000 8.410 0.590 1
1 294 . 2 1 1 A 26 26 ASP HA H 26 4.410 4.505 -0.095 1
1 297 . 2 1 1 A 26 26 ASP C C 26 178.610 178.296 0.314 1
1 298 . 2 1 1 A 26 26 ASP CA C 26 56.370 57.409 -1.039 1
1 299 . 2 1 1 A 26 26 ASP CB C 26 39.350 41.798 -2.448 1
1 300 . 2 1 1 A 26 26 ASP N N 26 116.310 120.609 -4.299 1
1 301 . 2 1 1 A 27 27 LEU H H 27 7.440 8.041 -0.601 1
1 302 . 2 1 1 A 27 27 LEU HA H 27 4.400 4.317 0.083 1
1 312 . 2 1 1 A 27 27 LEU C C 27 178.480 178.127 0.353 1
1 313 . 2 1 1 A 27 27 LEU CA C 27 56.370 56.051 0.319 1
1 314 . 2 1 1 A 27 27 LEU CB C 27 41.210 41.122 0.088 1
1 318 . 2 1 1 A 27 27 LEU N N 27 120.250 118.647 1.603 1
1 319 . 2 1 1 A 28 28 ILE H H 28 8.040 7.644 0.396 1
1 320 . 2 1 1 A 28 28 ILE HA H 28 3.430 3.622 -0.192 1
1 330 . 2 1 1 A 28 28 ILE C C 28 177.705 177.716 -0.011 1
1 331 . 2 1 1 A 28 28 ILE CA C 28 66.350 65.359 0.991 1
1 332 . 2 1 1 A 28 28 ILE CB C 28 37.000 37.356 -0.356 1
1 336 . 2 1 1 A 28 28 ILE N N 28 121.930 119.738 2.192 1
1 337 . 2 1 1 A 29 29 LYS H H 29 7.830 7.509 0.321 1
1 338 . 2 1 1 A 29 29 LYS HA H 29 3.940 4.086 -0.146 1
1 344 . 2 1 1 A 29 29 LYS C C 29 179.200 178.640 0.560 1
1 345 . 2 1 1 A 29 29 LYS CA C 29 59.890 59.405 0.485 1
1 346 . 2 1 1 A 29 29 LYS CB C 29 31.700 32.081 -0.381 1
1 350 . 2 1 1 A 29 29 LYS N N 29 116.880 119.788 -2.908 1
1 351 . 2 1 1 A 30 30 MET H H 30 7.290 7.980 -0.690 1
1 352 . 2 1 1 A 30 30 MET HA H 30 4.268 4.354 -0.086 1
1 360 . 2 1 1 A 30 30 MET C C 30 177.710 178.107 -0.397 1
1 361 . 2 1 1 A 30 30 MET CA C 30 58.130 57.927 0.203 1
1 362 . 2 1 1 A 30 30 MET CB C 30 33.480 32.381 1.099 1
1 365 . 2 1 1 A 30 30 MET N N 30 116.880 119.368 -2.488 1
1 366 . 2 1 1 A 31 31 ALA H H 31 8.410 8.375 0.035 1
1 367 . 2 1 1 A 31 31 ALA HA H 31 4.180 4.009 0.171 1
1 371 . 2 1 1 A 31 31 ALA C C 31 180.650 179.744 0.906 1
1 372 . 2 1 1 A 31 31 ALA CA C 31 54.020 55.549 -1.529 1
1 373 . 2 1 1 A 31 31 ALA CB C 31 19.980 18.614 1.366 1
1 374 . 2 1 1 A 31 31 ALA N N 31 120.250 121.661 -1.411 1
1 375 . 2 1 1 A 32 32 ARG H H 32 8.000 8.298 -0.298 1
1 376 . 2 1 1 A 32 32 ARG HA H 32 4.130 4.257 -0.127 1
1 382 . 2 1 1 A 32 32 ARG C C 32 176.805 176.450 0.355 1
1 383 . 2 1 1 A 32 32 ARG CA C 32 60.480 58.111 2.369 1
1 384 . 2 1 1 A 32 32 ARG CB C 32 30.540 29.190 1.350 1
1 387 . 2 1 1 A 32 32 ARG N N 32 118.540 116.715 1.825 1
1 388 . 2 1 1 A 33 33 ASP H H 33 7.980 7.962 0.018 1
1 389 . 2 1 1 A 33 33 ASP HA H 33 4.970 4.822 0.148 1
1 392 . 2 1 1 A 33 33 ASP C C 33 175.990 176.333 -0.343 1
1 393 . 2 1 1 A 33 33 ASP CA C 33 54.000 53.412 0.588 1
1 394 . 2 1 1 A 33 33 ASP CB C 33 41.700 41.108 0.592 1
1 395 . 2 1 1 A 33 33 ASP N N 33 116.310 118.988 -2.678 1
1 396 . 2 1 1 A 34 34 ILE H H 34 7.550 7.315 0.235 1
1 397 . 2 1 1 A 34 34 ILE HA H 34 4.150 4.271 -0.121 1
1 407 . 2 1 1 A 34 34 ILE C C 34 175.797 174.991 0.806 1
1 408 . 2 1 1 A 34 34 ILE CA C 34 61.070 61.412 -0.342 1
1 409 . 2 1 1 A 34 34 ILE CB C 34 38.180 36.406 1.774 1
1 413 . 2 1 1 A 34 34 ILE N N 34 120.870 122.361 -1.491 1
1 414 . 2 1 1 A 35 35 LYS H H 35 8.990 8.189 0.801 1
1 415 . 2 1 1 A 35 35 LYS HA H 35 4.730 5.027 -0.297 1
1 423 . 2 1 1 A 35 35 LYS C C 35 173.200 173.628 -0.428 1
1 424 . 2 1 1 A 35 35 LYS CA C 35 52.840 53.715 -0.875 1
1 425 . 2 1 1 A 35 35 LYS CB C 35 32.890 33.222 -0.332 1
1 429 . 2 1 1 A 35 35 LYS N N 35 129.810 128.174 1.636 1
1 430 . 2 1 1 A 36 36 PRO HA H 36 4.730 4.891 -0.161 1
1 436 . 2 1 1 A 36 36 PRO C C 36 173.900 175.983 -2.083 1
1 437 . 2 1 1 A 36 36 PRO CA C 36 62.800 62.171 0.629 1
1 438 . 2 1 1 A 36 36 PRO CB C 36 32.310 32.549 -0.239 1
1 441 . 2 1 1 A 37 37 ILE H H 37 8.400 8.538 -0.138 1
1 442 . 2 1 1 A 37 37 ILE HA H 37 5.090 4.350 0.740 1
1 452 . 2 1 1 A 37 37 ILE C C 37 175.257 175.601 -0.344 1
1 453 . 2 1 1 A 37 37 ILE CA C 37 62.670 60.585 2.085 1
1 454 . 2 1 1 A 37 37 ILE CB C 37 40.520 37.345 3.175 1
1 458 . 2 1 1 A 37 37 ILE N N 37 121.380 121.510 -0.130 1
1 459 . 2 1 1 A 38 38 VAL H H 38 9.550 8.841 0.709 1
1 460 . 2 1 1 A 38 38 VAL HA H 38 5.180 4.450 0.730 1
1 465 . 2 1 1 A 38 38 VAL C C 38 174.875 174.933 -0.058 1
1 466 . 2 1 1 A 38 38 VAL CA C 38 61.060 62.319 -1.259 1
1 467 . 2 1 1 A 38 38 VAL CB C 38 34.650 31.885 2.765 1
1 469 . 2 1 1 A 38 38 VAL N N 38 128.690 128.851 -0.161 1
1 470 . 2 1 1 A 39 39 GLU H H 39 9.710 8.903 0.807 1
1 471 . 2 1 1 A 39 39 GLU HA H 39 5.510 5.160 0.350 1
1 476 . 2 1 1 A 39 39 GLU C C 39 175.930 175.576 0.354 1
1 477 . 2 1 1 A 39 39 GLU CA C 39 54.020 55.143 -1.123 1
1 478 . 2 1 1 A 39 39 GLU CB C 39 31.700 32.007 -0.307 1
1 480 . 2 1 1 A 39 39 GLU N N 39 128.130 127.989 0.141 1
1 481 . 2 1 1 A 40 40 ILE H H 40 9.760 9.099 0.661 1
1 482 . 2 1 1 A 40 40 ILE HA H 40 5.130 5.030 0.100 1
1 492 . 2 1 1 A 40 40 ILE C C 40 175.960 175.340 0.620 1
1 493 . 2 1 1 A 40 40 ILE CA C 40 61.650 60.307 1.343 1
1 494 . 2 1 1 A 40 40 ILE CB C 40 40.520 40.590 -0.070 1
1 498 . 2 1 1 A 40 40 ILE N N 40 126.430 127.061 -0.631 1
1 499 . 2 1 1 A 41 41 GLN H H 41 9.380 9.423 -0.043 1
1 500 . 2 1 1 A 41 41 GLN HA H 41 4.740 5.101 -0.361 1
1 506 . 2 1 1 A 41 41 GLN C C 41 173.420 174.621 -1.201 1
1 507 . 2 1 1 A 41 41 GLN CA C 41 54.590 53.945 0.645 1
1 508 . 2 1 1 A 41 41 GLN CB C 41 31.130 32.938 -1.808 1
1 510 . 2 1 1 A 41 41 GLN N N 41 128.130 125.665 2.465 1
1 512 . 2 1 1 A 42 42 GLN H H 42 8.310 8.622 -0.312 1
1 513 . 2 1 1 A 42 42 GLN HA H 42 4.440 4.920 -0.480 1
1 520 . 2 1 1 A 42 42 GLN C C 42 174.500 174.352 0.148 1
1 521 . 2 1 1 A 42 42 GLN CA C 42 54.020 54.717 -0.697 1
1 522 . 2 1 1 A 42 42 GLN CB C 42 29.960 32.067 -2.107 1
1 524 . 2 1 1 A 42 42 GLN N N 42 125.880 123.040 2.840 1
1 526 . 2 1 1 A 43 43 LYS H H 43 8.290 8.199 0.091 1
1 527 . 2 1 1 A 43 43 LYS HA H 43 4.420 4.697 -0.277 1
1 533 . 2 1 1 A 43 43 LYS C C 43 175.990 177.302 -1.312 1
1 534 . 2 1 1 A 43 43 LYS CA C 43 54.020 55.911 -1.891 1
1 535 . 2 1 1 A 43 43 LYS CB C 43 32.890 31.897 0.993 1
1 539 . 2 1 1 A 43 43 LYS N N 43 129.810 123.526 6.284 1
1 540 . 2 1 1 A 44 44 GLY H H 44 9.040 8.714 0.326 1
1 541 . 2 1 1 A 44 44 GLY HA2 H 44 3.660 3.986 -0.326 1
1 542 . 2 1 1 A 44 44 GLY HA3 H 44 4.020 3.986 0.034 1
1 543 . 2 1 1 A 44 44 GLY C C 44 173.790 173.950 -0.160 1
1 544 . 2 1 1 A 44 44 GLY CA C 44 47.570 46.910 0.660 1
1 545 . 2 1 1 A 44 44 GLY N N 44 116.880 110.697 6.183 1
1 546 . 2 1 1 A 45 45 ASP H H 45 8.920 8.310 0.610 1
1 547 . 2 1 1 A 45 45 ASP HA H 45 4.920 4.948 -0.028 1
1 550 . 2 1 1 A 45 45 ASP C C 45 174.220 175.746 -1.526 1
1 551 . 2 1 1 A 45 45 ASP CA C 45 54.000 54.658 -0.658 1
1 552 . 2 1 1 A 45 45 ASP CB C 45 38.420 42.646 -4.226 1
1 553 . 2 1 1 A 45 45 ASP N N 45 127.530 120.934 6.596 1
1 554 . 2 1 1 A 46 46 ASP H H 46 8.090 7.748 0.342 1
1 555 . 2 1 1 A 46 46 ASP HA H 46 5.290 4.608 0.682 1
1 558 . 2 1 1 A 46 46 ASP C C 46 174.779 175.814 -1.035 1
1 559 . 2 1 1 A 46 46 ASP CA C 46 54.020 54.473 -0.453 1
1 560 . 2 1 1 A 46 46 ASP CB C 46 41.100 41.048 0.052 1
1 561 . 2 1 1 A 46 46 ASP N N 46 120.250 120.235 0.015 1
1 562 . 2 1 1 A 47 47 PHE H H 47 9.360 8.924 0.436 1
1 563 . 2 1 1 A 47 47 PHE HA H 47 5.050 4.939 0.111 1
1 568 . 2 1 1 A 47 47 PHE C C 47 176.260 175.390 0.870 1
1 569 . 2 1 1 A 47 47 PHE CA C 47 56.370 57.523 -1.153 1
1 570 . 2 1 1 A 47 47 PHE CB C 47 42.870 39.975 2.895 1
1 573 . 2 1 1 A 47 47 PHE N N 47 122.500 126.572 -4.072 1
1 574 . 2 1 1 A 48 48 VAL H H 48 8.580 9.503 -0.923 1
1 575 . 2 1 1 A 48 48 VAL HA H 48 5.140 4.798 0.342 1
1 583 . 2 1 1 A 48 48 VAL C C 48 175.370 174.719 0.651 1
1 584 . 2 1 1 A 48 48 VAL CA C 48 62.200 61.250 0.950 1
1 585 . 2 1 1 A 48 48 VAL CB C 48 33.200 33.358 -0.158 1
1 588 . 2 1 1 A 48 48 VAL N N 48 121.930 121.999 -0.069 1
1 589 . 2 1 1 A 49 49 VAL H H 49 9.440 9.255 0.185 1
1 590 . 2 1 1 A 49 49 VAL HA H 49 5.140 4.937 0.203 1
1 598 . 2 1 1 A 49 49 VAL C C 49 175.840 175.639 0.201 1
1 599 . 2 1 1 A 49 49 VAL CA C 49 61.040 61.035 0.005 1
1 600 . 2 1 1 A 49 49 VAL CB C 49 33.660 34.389 -0.729 1
1 603 . 2 1 1 A 49 49 VAL N N 49 128.130 128.793 -0.663 1
1 604 . 2 1 1 A 50 50 THR H H 50 9.810 9.103 0.707 1
1 605 . 2 1 1 A 50 50 THR HA H 50 5.530 5.447 0.083 1
1 610 . 2 1 1 A 50 50 THR C C 50 173.450 173.843 -0.393 1
1 611 . 2 1 1 A 50 50 THR CA C 50 61.070 60.221 0.849 1
1 612 . 2 1 1 A 50 50 THR CB C 50 70.460 71.250 -0.790 1
1 614 . 2 1 1 A 50 50 THR N N 50 128.130 119.317 8.813 1
1 615 . 2 1 1 A 51 51 SER H H 51 9.380 8.483 0.897 1
1 616 . 2 1 1 A 51 51 SER HA H 51 5.380 5.221 0.159 1
1 618 . 2 1 1 A 51 51 SER C C 51 173.450 173.544 -0.094 1
1 619 . 2 1 1 A 51 51 SER CA C 51 56.960 57.772 -0.812 1
1 620 . 2 1 1 A 51 51 SER CB C 51 64.590 65.728 -1.138 1
1 621 . 2 1 1 A 51 51 SER N N 51 123.630 120.185 3.445 1
1 622 . 2 1 1 A 52 52 LYS H H 52 9.610 9.161 0.449 1
1 623 . 2 1 1 A 52 52 LYS HA H 52 5.270 4.983 0.287 1
1 630 . 2 1 1 A 52 52 LYS C C 52 175.850 175.878 -0.028 1
1 631 . 2 1 1 A 52 52 LYS CA C 52 56.370 54.985 1.385 1
1 632 . 2 1 1 A 52 52 LYS CB C 52 33.140 33.883 -0.743 1
1 636 . 2 1 1 A 52 52 LYS N N 52 125.220 126.298 -1.078 1
1 637 . 2 1 1 A 53 53 THR H H 53 8.630 8.621 0.009 1
1 638 . 2 1 1 A 53 53 THR HA H 53 5.040 5.043 -0.003 1
1 643 . 2 1 1 A 53 53 THR C C 53 172.990 174.194 -1.204 1
1 644 . 2 1 1 A 53 53 THR CA C 53 59.290 58.751 0.539 1
1 645 . 2 1 1 A 53 53 THR CB C 53 69.290 70.460 -1.170 1
1 647 . 2 1 1 A 53 53 THR N N 53 115.190 116.241 -1.051 1
1 648 . 2 1 1 A 54 54 PRO HA H 54 4.390 4.581 -0.191 1
1 655 . 2 1 1 A 54 54 PRO C C 54 177.230 177.090 0.140 1
1 656 . 2 1 1 A 54 54 PRO CA C 54 65.760 64.042 1.718 1
1 657 . 2 1 1 A 54 54 PRO CB C 54 31.720 31.840 -0.120 1
1 660 . 2 1 1 A 55 55 ARG H H 55 7.960 8.099 -0.139 1
1 661 . 2 1 1 A 55 55 ARG HA H 55 4.540 4.735 -0.195 1
1 668 . 2 1 1 A 55 55 ARG C C 55 175.430 174.816 0.614 1
1 669 . 2 1 1 A 55 55 ARG CA C 55 55.190 56.815 -1.625 1
1 670 . 2 1 1 A 55 55 ARG CB C 55 31.720 33.628 -1.908 1
1 673 . 2 1 1 A 55 55 ARG N N 55 111.250 118.052 -6.802 1
1 674 . 2 1 1 A 56 56 GLN H H 56 7.510 8.105 -0.595 1
1 675 . 2 1 1 A 56 56 GLN HA H 56 4.930 4.864 0.066 1
1 682 . 2 1 1 A 56 56 GLN C C 56 173.670 174.480 -0.810 1
1 683 . 2 1 1 A 56 56 GLN CA C 56 58.390 54.427 3.963 1
1 684 . 2 1 1 A 56 56 GLN CB C 56 31.720 33.448 -1.728 1
1 686 . 2 1 1 A 56 56 GLN N N 56 118.000 116.802 1.198 1
1 688 . 2 1 1 A 57 57 THR H H 57 8.630 8.750 -0.120 1
1 689 . 2 1 1 A 57 57 THR HA H 57 5.530 5.078 0.452 1
1 694 . 2 1 1 A 57 57 THR C C 57 173.300 172.945 0.355 1
1 695 . 2 1 1 A 57 57 THR CA C 57 64.450 61.734 2.716 1
1 696 . 2 1 1 A 57 57 THR CB C 57 71.630 71.325 0.305 1
1 698 . 2 1 1 A 57 57 THR N N 57 121.380 117.119 4.261 1
1 699 . 2 1 1 A 58 58 VAL H H 58 8.920 8.510 0.410 1
1 700 . 2 1 1 A 58 58 VAL HA H 58 5.100 4.956 0.144 1
1 705 . 2 1 1 A 58 58 VAL C C 58 173.800 173.665 0.135 1
1 706 . 2 1 1 A 58 58 VAL CA C 58 54.600 59.836 -5.236 1
1 707 . 2 1 1 A 58 58 VAL CB C 58 34.660 36.063 -1.403 1
1 709 . 2 1 1 A 58 58 VAL N N 58 125.320 125.520 -0.200 1
1 710 . 2 1 1 A 59 59 THR H H 59 8.830 8.792 0.038 1
1 711 . 2 1 1 A 59 59 THR HA H 59 5.320 5.066 0.254 1
1 716 . 2 1 1 A 59 59 THR C C 59 172.980 173.716 -0.736 1
1 717 . 2 1 1 A 59 59 THR CA C 59 61.650 61.939 -0.289 1
1 718 . 2 1 1 A 59 59 THR CB C 59 71.040 71.180 -0.140 1
1 720 . 2 1 1 A 59 59 THR N N 59 124.190 120.942 3.248 1
1 721 . 2 1 1 A 60 60 ASN H H 60 9.340 9.091 0.249 1
1 722 . 2 1 1 A 60 60 ASN HA H 60 5.400 5.492 -0.092 1
1 727 . 2 1 1 A 60 60 ASN C C 60 172.850 174.610 -1.760 1
1 728 . 2 1 1 A 60 60 ASN CA C 60 52.260 52.367 -0.107 1
1 729 . 2 1 1 A 60 60 ASN CB C 60 43.460 40.816 2.644 1
1 730 . 2 1 1 A 60 60 ASN N N 60 124.730 126.020 -1.290 1
1 732 . 2 1 1 A 61 61 SER H H 61 8.890 8.872 0.018 1
1 733 . 2 1 1 A 61 61 SER HA H 61 5.490 5.310 0.180 1
1 735 . 2 1 1 A 61 61 SER C C 61 172.560 173.255 -0.695 1
1 736 . 2 1 1 A 61 61 SER CA C 61 56.370 57.735 -1.365 1
1 737 . 2 1 1 A 61 61 SER CB C 61 65.600 65.243 0.357 1
1 738 . 2 1 1 A 61 61 SER N N 61 115.130 117.724 -2.594 1
1 739 . 2 1 1 A 62 62 PHE H H 62 8.330 8.498 -0.168 1
1 740 . 2 1 1 A 62 62 PHE HA H 62 5.060 5.737 -0.677 1
1 745 . 2 1 1 A 62 62 PHE C C 62 172.600 173.197 -0.597 1
1 746 . 2 1 1 A 62 62 PHE CA C 62 56.370 55.468 0.902 1
1 747 . 2 1 1 A 62 62 PHE CB C 62 40.520 42.612 -2.092 1
1 750 . 2 1 1 A 62 62 PHE N N 62 117.430 121.496 -4.066 1
1 751 . 2 1 1 A 63 63 THR H H 63 9.710 8.963 0.747 1
1 752 . 2 1 1 A 63 63 THR HA H 63 5.550 4.719 0.831 1
1 757 . 2 1 1 A 63 63 THR C C 63 175.450 174.606 0.844 1
1 758 . 2 1 1 A 63 63 THR CA C 63 61.060 62.303 -1.243 1
1 759 . 2 1 1 A 63 63 THR CB C 63 71.630 69.745 1.885 1
1 761 . 2 1 1 A 63 63 THR N N 63 119.630 118.930 0.700 1
1 762 . 2 1 1 A 64 64 LEU H H 64 9.250 8.714 0.536 1
1 763 . 2 1 1 A 64 64 LEU HA H 64 4.410 4.045 0.365 1
1 773 . 2 1 1 A 64 64 LEU C C 64 178.310 178.042 0.268 1
1 774 . 2 1 1 A 64 64 LEU CA C 64 56.370 56.625 -0.255 1
1 775 . 2 1 1 A 64 64 LEU CB C 64 41.700 41.584 0.116 1
1 779 . 2 1 1 A 64 64 LEU N N 64 126.430 127.581 -1.151 1
1 780 . 2 1 1 A 65 65 GLY H H 65 9.121 9.121 0.000 1
1 781 . 2 1 1 A 65 65 GLY HA2 H 65 4.280 3.986 0.294 1
1 782 . 2 1 1 A 65 65 GLY HA3 H 65 3.240 3.986 -0.746 1
1 783 . 2 1 1 A 65 65 GLY C C 65 173.200 173.517 -0.317 1
1 784 . 2 1 1 A 65 65 GLY CA C 65 45.800 45.591 0.209 1
1 785 . 2 1 1 A 65 65 GLY N N 65 107.310 112.421 -5.111 1
1 786 . 2 1 1 A 66 66 LYS H H 66 7.990 7.283 0.707 1
1 787 . 2 1 1 A 66 66 LYS HA H 66 4.790 5.023 -0.233 1
1 793 . 2 1 1 A 66 66 LYS C C 66 175.500 174.273 1.227 1
1 794 . 2 1 1 A 66 66 LYS CA C 66 54.000 54.695 -0.695 1
1 795 . 2 1 1 A 66 66 LYS CB C 66 34.660 36.083 -1.423 1
1 799 . 2 1 1 A 66 66 LYS N N 66 120.820 120.246 0.574 1
1 800 . 2 1 1 A 67 67 GLU H H 67 8.880 8.655 0.225 1
1 801 . 2 1 1 A 67 67 GLU HA H 67 4.290 4.678 -0.388 1
1 805 . 2 1 1 A 67 67 GLU C C 67 174.820 175.955 -1.135 1
1 806 . 2 1 1 A 67 67 GLU CA C 67 58.720 56.762 1.958 1
1 807 . 2 1 1 A 67 67 GLU CB C 67 29.960 30.499 -0.539 1
1 808 . 2 1 1 A 67 67 GLU N N 67 129.250 126.341 2.909 1
1 809 . 2 1 1 A 68 68 ALA H H 68 9.430 8.705 0.725 1
1 810 . 2 1 1 A 68 68 ALA HA H 68 4.920 5.095 -0.175 1
1 814 . 2 1 1 A 68 68 ALA C C 68 175.630 175.291 0.339 1
1 815 . 2 1 1 A 68 68 ALA CA C 68 50.490 50.840 -0.350 1
1 816 . 2 1 1 A 68 68 ALA CB C 68 22.910 24.350 -1.440 1
1 817 . 2 1 1 A 68 68 ALA N N 68 130.330 127.890 2.440 1
1 818 . 2 1 1 A 69 69 ASP H H 69 8.380 8.854 -0.474 1
1 819 . 2 1 1 A 69 69 ASP HA H 69 5.210 5.482 -0.272 1
1 821 . 2 1 1 A 69 69 ASP C C 69 175.100 174.874 0.226 1
1 822 . 2 1 1 A 69 69 ASP CA C 69 53.440 52.499 0.941 1
1 823 . 2 1 1 A 69 69 ASP CB C 69 41.700 43.450 -1.750 1
1 824 . 2 1 1 A 69 69 ASP N N 69 119.630 118.460 1.170 1
1 825 . 2 1 1 A 70 70 ILE H H 70 9.120 9.657 -0.537 1
1 826 . 2 1 1 A 70 70 ILE HA H 70 4.540 4.720 -0.180 1
1 836 . 2 1 1 A 70 70 ILE C C 70 175.390 174.676 0.714 1
1 837 . 2 1 1 A 70 70 ILE CA C 70 56.960 60.251 -3.291 1
1 838 . 2 1 1 A 70 70 ILE CB C 70 38.760 39.004 -0.244 1
1 842 . 2 1 1 A 70 70 ILE N N 70 126.430 124.119 2.311 1
1 843 . 2 1 1 A 71 71 THR H H 71 9.460 9.075 0.385 1
1 844 . 2 1 1 A 71 71 THR HA H 71 5.310 4.996 0.314 1
1 849 . 2 1 1 A 71 71 THR C C 71 174.985 174.021 0.964 1
1 850 . 2 1 1 A 71 71 THR CA C 71 61.650 61.945 -0.295 1
1 851 . 2 1 1 A 71 71 THR CB C 71 69.870 68.830 1.040 1
1 853 . 2 1 1 A 71 71 THR N N 71 123.630 123.332 0.298 1
1 854 . 2 1 1 A 72 72 THR H H 72 9.090 8.809 0.281 1
1 855 . 2 1 1 A 72 72 THR HA H 72 4.350 4.637 -0.287 1
1 860 . 2 1 1 A 72 72 THR C C 72 177.400 175.860 1.540 1
1 861 . 2 1 1 A 72 72 THR CA C 72 61.460 61.975 -0.515 1
1 862 . 2 1 1 A 72 72 THR CB C 72 69.870 69.814 0.056 1
1 864 . 2 1 1 A 72 72 THR N N 72 116.880 121.497 -4.617 1
1 865 . 2 1 1 A 73 73 MET HA H 73 4.140 4.288 -0.148 1
1 873 . 2 1 1 A 73 73 MET C C 73 176.100 177.038 -0.938 1
1 874 . 2 1 1 A 73 73 MET CA C 73 58.700 57.510 1.190 1
1 875 . 2 1 1 A 73 73 MET CB C 73 33.480 32.529 0.951 1
1 877 . 2 1 1 A 74 74 ASP H H 74 8.590 8.039 0.551 1
1 878 . 2 1 1 A 74 74 ASP HA H 74 4.637 4.695 -0.058 1
1 881 . 2 1 1 A 74 74 ASP C C 74 175.130 176.703 -1.573 1
1 882 . 2 1 1 A 74 74 ASP CA C 74 52.850 54.226 -1.376 1
1 883 . 2 1 1 A 74 74 ASP CB C 74 39.350 40.947 -1.597 1
1 884 . 2 1 1 A 74 74 ASP N N 74 112.930 118.652 -5.722 1
1 885 . 2 1 1 A 75 75 GLY H H 75 7.980 8.366 -0.386 1
1 886 . 2 1 1 A 75 75 GLY HA2 H 75 3.660 3.991 -0.331 1
1 887 . 2 1 1 A 75 75 GLY HA3 H 75 4.160 3.991 0.169 1
1 888 . 2 1 1 A 75 75 GLY C C 75 174.725 173.809 0.916 1
1 889 . 2 1 1 A 75 75 GLY CA C 75 45.800 46.095 -0.295 1
1 890 . 2 1 1 A 75 75 GLY N N 75 107.880 109.210 -1.330 1
1 891 . 2 1 1 A 76 76 LYS H H 76 7.850 7.892 -0.042 1
1 892 . 2 1 1 A 76 76 LYS HA H 76 4.396 4.865 -0.469 1
1 898 . 2 1 1 A 76 76 LYS C C 76 174.820 175.095 -0.275 1
1 899 . 2 1 1 A 76 76 LYS CA C 76 55.780 54.359 1.421 1
1 900 . 2 1 1 A 76 76 LYS CB C 76 32.890 35.200 -2.310 1
1 904 . 2 1 1 A 76 76 LYS N N 76 121.380 119.702 1.678 1
1 905 . 2 1 1 A 77 77 LYS H H 77 8.210 9.113 -0.903 1
1 906 . 2 1 1 A 77 77 LYS HA H 77 5.410 5.228 0.182 1
1 912 . 2 1 1 A 77 77 LYS C C 77 176.200 174.900 1.300 1
1 913 . 2 1 1 A 77 77 LYS CA C 77 54.600 54.748 -0.148 1
1 914 . 2 1 1 A 77 77 LYS CB C 77 34.060 35.020 -0.960 1
1 918 . 2 1 1 A 77 77 LYS N N 77 119.130 121.248 -2.118 1
1 919 . 2 1 1 A 78 78 LEU H H 78 9.310 9.183 0.127 1
1 920 . 2 1 1 A 78 78 LEU HA H 78 4.790 5.270 -0.480 1
1 929 . 2 1 1 A 78 78 LEU C C 78 175.100 174.744 0.356 1
1 930 . 2 1 1 A 78 78 LEU CA C 78 54.000 53.314 0.686 1
1 931 . 2 1 1 A 78 78 LEU CB C 78 44.630 45.844 -1.214 1
1 935 . 2 1 1 A 78 78 LEU N N 78 123.630 126.088 -2.458 1
1 936 . 2 1 1 A 79 79 LYS H H 79 8.430 8.880 -0.450 1
1 937 . 2 1 1 A 79 79 LYS HA H 79 5.530 4.848 0.682 1
1 942 . 2 1 1 A 79 79 LYS CA C 79 54.020 55.896 -1.876 1
1 943 . 2 1 1 A 79 79 LYS CB C 79 32.890 33.269 -0.379 1
1 947 . 2 1 1 A 79 79 LYS N N 79 121.930 128.248 -6.318 1
1 948 . 2 1 1 A 80 80 CYS H H 80 8.910 8.943 -0.033 1
1 949 . 2 1 1 A 80 80 CYS HA H 80 4.990 5.124 -0.134 1
1 952 . 2 1 1 A 80 80 CYS C C 80 175.870 173.159 2.711 1
1 953 . 2 1 1 A 80 80 CYS CA C 80 56.940 57.925 -0.985 1
1 954 . 2 1 1 A 80 80 CYS CB C 80 31.130 32.498 -1.368 1
1 955 . 2 1 1 A 80 80 CYS N N 80 117.930 123.974 -6.044 1
1 956 . 2 1 1 A 81 81 THR H H 81 8.620 8.617 0.003 1
1 957 . 2 1 1 A 81 81 THR HA H 81 5.210 5.004 0.206 1
1 962 . 2 1 1 A 81 81 THR C C 81 172.330 173.336 -1.006 1
1 963 . 2 1 1 A 81 81 THR CA C 81 61.070 61.892 -0.822 1
1 964 . 2 1 1 A 81 81 THR CB C 81 69.870 69.589 0.281 1
1 966 . 2 1 1 A 81 81 THR N N 81 116.330 117.311 -0.981 1
1 967 . 2 1 1 A 82 82 VAL H H 82 9.510 9.180 0.330 1
1 968 . 2 1 1 A 82 82 VAL HA H 82 4.313 4.959 -0.646 1
1 976 . 2 1 1 A 82 82 VAL C C 82 175.200 173.838 1.362 1
1 977 . 2 1 1 A 82 82 VAL CA C 82 61.060 59.905 1.155 1
1 978 . 2 1 1 A 82 82 VAL CB C 82 32.300 34.449 -2.149 1
1 981 . 2 1 1 A 82 82 VAL N N 82 132.030 127.894 4.136 1
1 982 . 2 1 1 A 83 83 HIS H H 83 8.802 8.650 0.152 1
1 983 . 2 1 1 A 83 83 HIS HA H 83 4.973 5.461 -0.488 1
1 987 . 2 1 1 A 83 83 HIS C C 83 173.400 172.790 0.610 1
1 988 . 2 1 1 A 83 83 HIS CA C 83 55.020 54.268 0.752 1
1 989 . 2 1 1 A 83 83 HIS CB C 83 34.000 33.335 0.665 1
1 991 . 2 1 1 A 83 83 HIS N N 83 124.190 128.218 -4.028 1
1 992 . 2 1 1 A 84 84 LEU H H 84 8.833 9.040 -0.207 1
1 993 . 2 1 1 A 84 84 LEU HA H 84 5.355 4.974 0.381 1
1 1003 . 2 1 1 A 84 84 LEU C C 84 176.400 174.716 1.684 1
1 1004 . 2 1 1 A 84 84 LEU CA C 84 53.710 53.920 -0.210 1
1 1005 . 2 1 1 A 84 84 LEU CB C 84 44.050 43.959 0.091 1
1 1009 . 2 1 1 A 84 84 LEU N N 84 122.500 129.668 -7.168 1
1 1010 . 2 1 1 A 85 85 ALA H H 85 9.406 8.845 0.561 1
1 1011 . 2 1 1 A 85 85 ALA HA H 85 4.760 4.824 -0.064 1
1 1015 . 2 1 1 A 85 85 ALA C C 85 176.900 176.677 0.223 1
1 1016 . 2 1 1 A 85 85 ALA CA C 85 51.080 50.648 0.432 1
1 1017 . 2 1 1 A 85 85 ALA CB C 85 20.460 21.171 -0.711 1
1 1018 . 2 1 1 A 85 85 ALA N N 85 130.380 128.281 2.099 1
1 1019 . 2 1 1 A 86 86 ASN HA H 86 4.450 4.534 -0.084 1
1 1024 . 2 1 1 A 86 86 ASN C C 86 175.200 175.476 -0.276 1
1 1025 . 2 1 1 A 86 86 ASN CA C 86 54.020 54.321 -0.301 1
1 1026 . 2 1 1 A 86 86 ASN CB C 86 34.790 37.059 -2.269 1
1 1028 . 2 1 1 A 87 87 GLY H H 87 8.600 8.698 -0.098 1
1 1029 . 2 1 1 A 87 87 GLY HA2 H 87 3.757 3.945 -0.188 1
1 1030 . 2 1 1 A 87 87 GLY HA3 H 87 4.326 3.945 0.381 1
1 1031 . 2 1 1 A 87 87 GLY C C 87 172.970 173.652 -0.682 1
1 1032 . 2 1 1 A 87 87 GLY CA C 87 45.800 45.347 0.453 1
1 1033 . 2 1 1 A 87 87 GLY N N 87 102.830 104.383 -1.553 1
1 1034 . 2 1 1 A 88 88 LYS H H 88 7.927 7.672 0.255 1
1 1035 . 2 1 1 A 88 88 LYS HA H 88 5.108 4.699 0.409 1
1 1041 . 2 1 1 A 88 88 LYS C C 88 175.280 175.225 0.055 1
1 1042 . 2 1 1 A 88 88 LYS CA C 88 54.590 54.911 -0.321 1
1 1043 . 2 1 1 A 88 88 LYS CB C 88 34.660 34.612 0.048 1
1 1047 . 2 1 1 A 88 88 LYS N N 88 120.230 121.546 -1.316 1
1 1048 . 2 1 1 A 89 89 LEU H H 89 8.610 8.855 -0.245 1
1 1049 . 2 1 1 A 89 89 LEU HA H 89 5.200 4.935 0.265 1
1 1058 . 2 1 1 A 89 89 LEU C C 89 175.400 175.763 -0.363 1
1 1059 . 2 1 1 A 89 89 LEU CA C 89 54.000 53.711 0.289 1
1 1060 . 2 1 1 A 89 89 LEU CB C 89 41.700 43.108 -1.408 1
1 1064 . 2 1 1 A 89 89 LEU N N 89 122.430 127.207 -4.777 1
1 1065 . 2 1 1 A 90 90 VAL H H 90 9.470 9.002 0.468 1
1 1066 . 2 1 1 A 90 90 VAL HA H 90 4.558 5.273 -0.715 1
1 1071 . 2 1 1 A 90 90 VAL C C 90 175.020 174.051 0.969 1
1 1072 . 2 1 1 A 90 90 VAL CA C 90 61.200 59.766 1.434 1
1 1073 . 2 1 1 A 90 90 VAL CB C 90 32.550 34.816 -2.266 1
1 1075 . 2 1 1 A 90 90 VAL N N 90 122.500 125.639 -3.139 1
1 1076 . 2 1 1 A 91 91 THR H H 91 8.830 8.690 0.140 1
1 1077 . 2 1 1 A 91 91 THR HA H 91 4.760 4.906 -0.146 1
1 1082 . 2 1 1 A 91 91 THR C C 91 173.200 172.243 0.957 1
1 1083 . 2 1 1 A 91 91 THR CA C 91 62.190 61.195 0.995 1
1 1084 . 2 1 1 A 91 91 THR CB C 91 69.870 71.184 -1.314 1
1 1086 . 2 1 1 A 91 91 THR N N 91 124.190 121.743 2.447 1
1 1087 . 2 1 1 A 92 92 LYS H H 92 9.170 8.683 0.487 1
1 1088 . 2 1 1 A 92 92 LYS HA H 92 4.758 4.667 0.091 1
1 1094 . 2 1 1 A 92 92 LYS C C 92 174.440 175.539 -1.099 1
1 1095 . 2 1 1 A 92 92 LYS CA C 92 55.180 55.979 -0.799 1
1 1096 . 2 1 1 A 92 92 LYS CB C 92 35.240 35.136 0.104 1
1 1100 . 2 1 1 A 92 92 LYS N N 92 125.330 127.987 -2.657 1
1 1101 . 2 1 1 A 93 93 SER H H 93 8.320 8.135 0.185 1
1 1103 . 2 1 1 A 93 93 SER C C 93 173.740 175.907 -2.167 1
1 1104 . 2 1 1 A 93 93 SER CA C 93 55.200 58.176 -2.976 1
1 1105 . 2 1 1 A 93 93 SER CB C 93 62.000 63.631 -1.631 1
1 1106 . 2 1 1 A 93 93 SER N N 93 118.030 120.695 -2.665 1
1 1107 . 2 1 1 A 94 94 GLU H H 94 8.760 8.701 0.059 1
1 1108 . 2 1 1 A 94 94 GLU HA H 94 4.310 4.376 -0.066 1
1 1109 . 2 1 1 A 94 94 GLU CA C 94 54.100 58.259 -4.159 1
1 1110 . 2 1 1 A 94 94 GLU N N 94 120.810 121.093 -0.283 1
1 1118 . 2 1 1 A 95 95 LYS CB C 95 34.650 32.717 1.933 1
1 1122 . 2 1 1 A 96 96 PHE H H 96 7.140 7.704 -0.564 1
1 1123 . 2 1 1 A 96 96 PHE HA H 96 5.810 5.107 0.703 1
1 1128 . 2 1 1 A 96 96 PHE CA C 96 56.350 56.058 0.292 1
1 1129 . 2 1 1 A 96 96 PHE CB C 96 43.460 42.357 1.103 1
1 1132 . 2 1 1 A 96 96 PHE N N 96 113.530 121.944 -8.414 1
1 1133 . 2 1 1 A 97 97 SER H H 97 8.660 8.237 0.423 1
1 1134 . 2 1 1 A 97 97 SER HA H 97 5.810 5.592 0.218 1
1 1137 . 2 1 1 A 97 97 SER CA C 97 57.540 56.759 0.781 1
1 1138 . 2 1 1 A 97 97 SER CB C 97 66.350 66.276 0.074 1
1 1139 . 2 1 1 A 97 97 SER N N 97 111.810 123.834 -12.024 1
1 1140 . 2 1 1 A 98 98 HIS H H 98 9.440 8.688 0.752 1
1 1141 . 2 1 1 A 98 98 HIS HA H 98 5.780 4.952 0.828 1
1 1145 . 2 1 1 A 98 98 HIS CA C 98 58.580 55.724 2.856 1
1 1146 . 2 1 1 A 98 98 HIS CB C 98 35.240 32.598 2.642 1
1 1147 . 2 1 1 A 98 98 HIS N N 98 125.830 123.721 2.109 1
1 1148 . 2 1 1 A 99 99 GLU HA H 99 5.410 4.736 0.674 1
1 1152 . 2 1 1 A 99 99 GLU CA C 99 54.600 55.841 -1.241 1
1 1153 . 2 1 1 A 99 99 GLU CB C 99 34.060 30.863 3.197 1
1 1155 . 2 1 1 A 100 100 GLN H H 100 9.060 8.540 0.520 1
1 1156 . 2 1 1 A 100 100 GLN HA H 100 5.150 5.056 0.094 1
1 1161 . 2 1 1 A 100 100 GLN CA C 100 53.000 55.321 -2.321 1
1 1162 . 2 1 1 A 100 100 GLN CB C 100 34.060 31.268 2.792 1
1 1163 . 2 1 1 A 100 100 GLN N N 100 124.730 124.642 0.088 1
1 1164 . 2 1 1 A 101 101 GLU H H 101 9.110 8.986 0.124 1
1 1165 . 2 1 1 A 101 101 GLU HA H 101 5.110 5.250 -0.140 1
1 1168 . 2 1 1 A 101 101 GLU C C 101 173.630 174.844 -1.214 1
1 1169 . 2 1 1 A 101 101 GLU CA C 101 54.600 54.631 -0.031 1
1 1170 . 2 1 1 A 101 101 GLU CB C 101 33.480 33.091 0.389 1
1 1171 . 2 1 1 A 101 101 GLU N N 101 126.430 127.599 -1.169 1
1 1172 . 2 1 1 A 102 102 VAL H H 102 8.900 9.009 -0.109 1
1 1173 . 2 1 1 A 102 102 VAL HA H 102 4.650 4.701 -0.051 1
1 1181 . 2 1 1 A 102 102 VAL C C 102 175.060 174.408 0.652 1
1 1182 . 2 1 1 A 102 102 VAL CA C 102 61.020 61.743 -0.723 1
1 1183 . 2 1 1 A 102 102 VAL CB C 102 34.060 32.867 1.193 1
1 1186 . 2 1 1 A 102 102 VAL N N 102 125.310 126.070 -0.760 1
1 1187 . 2 1 1 A 103 103 LYS H H 103 9.007 9.130 -0.123 1
1 1188 . 2 1 1 A 103 103 LYS HA H 103 4.660 4.676 -0.016 1
1 1194 . 2 1 1 A 103 103 LYS C C 103 176.600 176.545 0.055 1
1 1195 . 2 1 1 A 103 103 LYS CA C 103 55.180 55.202 -0.022 1
1 1196 . 2 1 1 A 103 103 LYS CB C 103 33.480 33.090 0.390 1
1 1200 . 2 1 1 A 103 103 LYS N N 103 129.210 126.006 3.204 1
1 1201 . 2 1 1 A 104 104 GLY H H 104 9.190 8.936 0.254 1
1 1202 . 2 1 1 A 104 104 GLY HA2 H 104 3.760 3.926 -0.166 1
1 1203 . 2 1 1 A 104 104 GLY HA3 H 104 4.080 3.926 0.154 1
1 1204 . 2 1 1 A 104 104 GLY C C 104 174.000 174.693 -0.693 1
1 1205 . 2 1 1 A 104 104 GLY CA C 104 47.380 47.350 0.030 1
1 1206 . 2 1 1 A 104 104 GLY N N 104 117.410 116.071 1.339 1
1 1207 . 2 1 1 A 105 105 ASN H H 105 9.120 8.736 0.384 1
1 1208 . 2 1 1 A 105 105 ASN HA H 105 5.050 4.997 0.053 1
1 1213 . 2 1 1 A 105 105 ASN C C 105 173.440 174.369 -0.929 1
1 1214 . 2 1 1 A 105 105 ASN CA C 105 52.830 52.770 0.060 1
1 1215 . 2 1 1 A 105 105 ASN CB C 105 39.350 39.380 -0.030 1
1 1216 . 2 1 1 A 105 105 ASN N N 105 126.410 123.705 2.705 1
1 1217 . 2 1 1 A 106 106 GLU H H 106 8.153 7.972 0.181 1
1 1218 . 2 1 1 A 106 106 GLU HA H 106 5.610 5.093 0.517 1
1 1223 . 2 1 1 A 106 106 GLU C C 106 173.490 175.175 -1.685 1
1 1224 . 2 1 1 A 106 106 GLU CA C 106 55.200 54.835 0.365 1
1 1225 . 2 1 1 A 106 106 GLU CB C 106 32.890 32.822 0.068 1
1 1227 . 2 1 1 A 106 106 GLU N N 106 120.250 119.279 0.971 1
1 1228 . 2 1 1 A 107 107 MET H H 107 8.970 9.070 -0.100 1
1 1229 . 2 1 1 A 107 107 MET HA H 107 5.137 5.221 -0.084 1
1 1237 . 2 1 1 A 107 107 MET C C 107 174.790 174.392 0.398 1
1 1238 . 2 1 1 A 107 107 MET CA C 107 54.320 53.626 0.694 1
1 1239 . 2 1 1 A 107 107 MET CB C 107 35.830 34.901 0.929 1
1 1242 . 2 1 1 A 107 107 MET N N 107 124.190 123.708 0.482 1
1 1243 . 2 1 1 A 108 108 VAL H H 108 9.140 8.660 0.480 1
1 1244 . 2 1 1 A 108 108 VAL HA H 108 4.820 5.079 -0.259 1
1 1249 . 2 1 1 A 108 108 VAL C C 108 175.200 174.678 0.522 1
1 1250 . 2 1 1 A 108 108 VAL CA C 108 61.040 61.120 -0.080 1
1 1251 . 2 1 1 A 108 108 VAL CB C 108 34.070 33.556 0.514 1
1 1253 . 2 1 1 A 108 108 VAL N N 108 126.440 125.838 0.602 1
1 1254 . 2 1 1 A 109 109 GLU H H 109 9.169 9.135 0.034 1
1 1255 . 2 1 1 A 109 109 GLU HA H 109 5.440 5.041 0.399 1
1 1259 . 2 1 1 A 109 109 GLU C C 109 174.260 174.242 0.018 1
1 1260 . 2 1 1 A 109 109 GLU CA C 109 53.700 54.295 -0.595 1
1 1261 . 2 1 1 A 109 109 GLU CB C 109 32.290 33.260 -0.970 1
1 1263 . 2 1 1 A 109 109 GLU N N 109 128.110 124.428 3.682 1
1 1264 . 2 1 1 A 110 110 THR H H 110 8.920 8.316 0.604 1
1 1265 . 2 1 1 A 110 110 THR HA H 110 5.174 5.008 0.166 1
1 1270 . 2 1 1 A 110 110 THR C C 110 174.780 173.755 1.025 1
1 1271 . 2 1 1 A 110 110 THR CA C 110 60.700 62.090 -1.390 1
1 1272 . 2 1 1 A 110 110 THR CB C 110 69.870 70.019 -0.149 1
1 1274 . 2 1 1 A 110 110 THR N N 110 119.130 116.301 2.829 1
1 1275 . 2 1 1 A 111 111 ILE H H 111 9.410 9.353 0.057 1
1 1276 . 2 1 1 A 111 111 ILE HA H 111 5.320 4.916 0.404 1
1 1286 . 2 1 1 A 111 111 ILE C C 111 174.820 174.645 0.175 1
1 1287 . 2 1 1 A 111 111 ILE CA C 111 60.310 59.489 0.821 1
1 1288 . 2 1 1 A 111 111 ILE CB C 111 40.520 39.514 1.006 1
1 1292 . 2 1 1 A 111 111 ILE N N 111 128.110 128.625 -0.515 1
1 1293 . 2 1 1 A 112 112 THR H H 112 9.346 7.773 1.573 1
1 1294 . 2 1 1 A 112 112 THR HA H 112 5.840 4.751 1.089 1
1 1299 . 2 1 1 A 112 112 THR C C 112 173.920 173.858 0.062 1
1 1300 . 2 1 1 A 112 112 THR CA C 112 61.070 61.746 -0.676 1
1 1301 . 2 1 1 A 112 112 THR CB C 112 70.460 68.609 1.851 1
1 1303 . 2 1 1 A 112 112 THR N N 112 123.630 123.129 0.501 1
1 1304 . 2 1 1 A 113 113 PHE H H 113 9.330 8.970 0.360 1
1 1305 . 2 1 1 A 113 113 PHE HA H 113 4.861 4.945 -0.084 1
1 1310 . 2 1 1 A 113 113 PHE C C 113 175.430 175.325 0.105 1
1 1311 . 2 1 1 A 113 113 PHE CA C 113 58.700 56.462 2.238 1
1 1312 . 2 1 1 A 113 113 PHE CB C 113 43.150 40.005 3.145 1
1 1315 . 2 1 1 A 113 113 PHE N N 113 125.330 126.563 -1.233 1
1 1316 . 2 1 1 A 114 114 GLY H H 114 8.485 8.946 -0.461 1
1 1317 . 2 1 1 A 114 114 GLY HA2 H 114 3.500 3.931 -0.431 1
1 1318 . 2 1 1 A 114 114 GLY HA3 H 114 3.500 3.931 -0.431 1
1 1319 . 2 1 1 A 114 114 GLY C C 114 175.180 174.923 0.257 1
1 1320 . 2 1 1 A 114 114 GLY CA C 114 46.700 47.139 -0.439 1
1 1321 . 2 1 1 A 114 114 GLY N N 114 115.730 114.811 0.919 1
1 1322 . 2 1 1 A 115 115 GLY H H 115 8.582 8.015 0.567 1
1 1323 . 2 1 1 A 115 115 GLY HA2 H 115 3.637 4.143 -0.506 1
1 1324 . 2 1 1 A 115 115 GLY HA3 H 115 4.196 4.143 0.053 1
1 1325 . 2 1 1 A 115 115 GLY C C 115 173.680 173.143 0.537 1
1 1326 . 2 1 1 A 115 115 GLY CA C 115 44.480 45.075 -0.595 1
1 1327 . 2 1 1 A 115 115 GLY N N 115 105.040 113.606 -8.566 1
1 1328 . 2 1 1 A 116 116 VAL H H 116 8.199 7.384 0.815 1
1 1329 . 2 1 1 A 116 116 VAL HA H 116 4.353 5.000 -0.647 1
1 1337 . 2 1 1 A 116 116 VAL C C 116 174.100 173.800 0.300 1
1 1338 . 2 1 1 A 116 116 VAL CA C 116 61.650 58.976 2.674 1
1 1339 . 2 1 1 A 116 116 VAL CB C 116 33.970 35.505 -1.535 1
1 1342 . 2 1 1 A 116 116 VAL N N 116 123.630 119.418 4.212 1
1 1343 . 2 1 1 A 117 117 THR H H 117 8.797 8.945 -0.148 1
1 1344 . 2 1 1 A 117 117 THR HA H 117 5.323 5.381 -0.058 1
1 1349 . 2 1 1 A 117 117 THR C C 117 173.510 173.593 -0.083 1
1 1350 . 2 1 1 A 117 117 THR CA C 117 61.650 60.280 1.370 1
1 1351 . 2 1 1 A 117 117 THR CB C 117 69.840 70.610 -0.770 1
1 1353 . 2 1 1 A 117 117 THR N N 117 123.030 116.730 6.300 1
1 1354 . 2 1 1 A 118 118 LEU H H 118 9.491 9.466 0.025 1
1 1355 . 2 1 1 A 118 118 LEU HA H 118 4.800 5.033 -0.233 1
1 1365 . 2 1 1 A 118 118 LEU C C 118 175.250 175.725 -0.475 1
1 1366 . 2 1 1 A 118 118 LEU CA C 118 53.420 53.512 -0.092 1
1 1367 . 2 1 1 A 118 118 LEU CB C 118 43.970 43.354 0.616 1
1 1371 . 2 1 1 A 118 118 LEU N N 118 131.530 125.763 5.767 1
1 1372 . 2 1 1 A 119 119 ILE H H 119 7.902 9.119 -1.217 1
1 1373 . 2 1 1 A 119 119 ILE HA H 119 5.127 4.693 0.434 1
1 1383 . 2 1 1 A 119 119 ILE C C 119 175.450 174.301 1.149 1
1 1384 . 2 1 1 A 119 119 ILE CA C 119 59.780 60.542 -0.762 1
1 1385 . 2 1 1 A 119 119 ILE CB C 119 39.350 37.352 1.998 1
1 1389 . 2 1 1 A 119 119 ILE N N 119 125.320 126.356 -1.036 1
1 1390 . 2 1 1 A 120 120 ARG H H 120 9.550 9.109 0.441 1
1 1391 . 2 1 1 A 120 120 ARG HA H 120 5.420 5.005 0.415 1
1 1395 . 2 1 1 A 120 120 ARG C C 120 174.890 174.733 0.157 1
1 1396 . 2 1 1 A 120 120 ARG CA C 120 54.610 54.968 -0.358 1
1 1397 . 2 1 1 A 120 120 ARG CB C 120 34.060 31.632 2.428 1
1 1400 . 2 1 1 A 120 120 ARG N N 120 126.430 129.148 -2.718 1
1 1401 . 2 1 1 A 121 121 ARG H H 121 9.250 8.683 0.567 1
1 1402 . 2 1 1 A 121 121 ARG HA H 121 5.410 5.098 0.312 1
1 1409 . 2 1 1 A 121 121 ARG C C 121 174.780 174.522 0.258 1
1 1410 . 2 1 1 A 121 121 ARG CA C 121 54.770 54.473 0.297 1
1 1411 . 2 1 1 A 121 121 ARG CB C 121 31.650 33.063 -1.413 1
1 1414 . 2 1 1 A 121 121 ARG N N 121 128.130 128.700 -0.570 1
1 1415 . 2 1 1 A 122 122 SER H H 122 9.617 9.157 0.460 1
1 1416 . 2 1 1 A 122 122 SER HA H 122 5.819 5.292 0.527 1
1 1419 . 2 1 1 A 122 122 SER C C 122 172.460 173.932 -1.472 1
1 1420 . 2 1 1 A 122 122 SER CA C 122 57.540 57.527 0.013 1
1 1421 . 2 1 1 A 122 122 SER CB C 122 66.939 64.898 2.041 1
1 1422 . 2 1 1 A 122 122 SER N N 122 118.000 122.905 -4.905 1
1 1423 . 2 1 1 A 123 123 LYS H H 123 8.699 9.782 -1.083 1
1 1424 . 2 1 1 A 123 123 LYS HA H 123 5.801 5.142 0.659 1
1 1430 . 2 1 1 A 123 123 LYS C C 123 175.440 175.682 -0.242 1
1 1431 . 2 1 1 A 123 123 LYS CA C 123 53.430 54.332 -0.902 1
1 1432 . 2 1 1 A 123 123 LYS CB C 123 35.830 35.572 0.258 1
1 1436 . 2 1 1 A 123 123 LYS N N 123 120.260 122.523 -2.263 1
1 1437 . 2 1 1 A 124 124 ARG H H 124 8.256 8.323 -0.067 1
1 1438 . 2 1 1 A 124 124 ARG HA H 124 4.040 4.587 -0.547 1
1 1445 . 2 1 1 A 124 124 ARG C C 124 176.530 175.947 0.583 1
1 1446 . 2 1 1 A 124 124 ARG CA C 124 56.960 55.954 1.006 1
1 1447 . 2 1 1 A 124 124 ARG CB C 124 30.540 29.372 1.168 1
1 1450 . 2 1 1 A 124 124 ARG N N 124 124.780 119.882 4.898 1
1 7 . 3 1 1 A 2 2 PHE H H 2 8.500 8.900 -0.400 1
1 8 . 3 1 1 A 2 2 PHE HA H 2 4.440 nan 4.440 1
1 12 . 3 1 1 A 2 2 PHE C C 2 175.800 175.311 0.489 1
1 13 . 3 1 1 A 2 2 PHE CA C 2 61.060 58.969 2.091 1
1 14 . 3 1 1 A 2 2 PHE CB C 2 40.690 42.293 -1.603 1
1 16 . 3 1 1 A 2 2 PHE N N 2 115.730 125.635 -9.905 1
1 17 . 3 1 1 A 3 3 SER H H 3 8.110 8.282 -0.172 1
1 18 . 3 1 1 A 3 3 SER HA H 3 4.500 nan 4.500 1
1 20 . 3 1 1 A 3 3 SER C C 3 174.470 174.516 -0.046 1
1 21 . 3 1 1 A 3 3 SER CA C 3 59.890 60.231 -0.341 1
1 22 . 3 1 1 A 3 3 SER CB C 3 60.610 63.230 -2.620 1
1 23 . 3 1 1 A 3 3 SER N N 3 111.250 115.346 -4.096 1
1 24 . 3 1 1 A 4 4 GLY H H 4 9.130 8.341 0.789 1
1 25 . 3 1 1 A 4 4 GLY HA2 H 4 4.081 4.390 -0.309 1
1 26 . 3 1 1 A 4 4 GLY HA3 H 4 3.896 4.390 -0.494 1
1 27 . 3 1 1 A 4 4 GLY C C 4 170.770 172.193 -1.423 1
1 28 . 3 1 1 A 4 4 GLY CA C 4 44.040 45.322 -1.282 1
1 29 . 3 1 1 A 4 4 GLY N N 4 111.720 112.538 -0.818 1
1 30 . 3 1 1 A 5 5 THR H H 5 8.306 7.912 0.394 1
1 31 . 3 1 1 A 5 5 THR HA H 5 4.980 nan 4.980 1
1 36 . 3 1 1 A 5 5 THR C C 5 172.600 173.260 -0.660 1
1 37 . 3 1 1 A 5 5 THR CA C 5 62.800 60.454 2.346 1
1 38 . 3 1 1 A 5 5 THR CB C 5 68.690 70.222 -1.532 1
1 40 . 3 1 1 A 5 5 THR N N 5 117.930 109.982 7.948 1
1 41 . 3 1 1 A 6 6 TRP H H 6 9.590 8.868 0.722 1
1 42 . 3 1 1 A 6 6 TRP HA H 6 5.180 nan 5.180 1
1 51 . 3 1 1 A 6 6 TRP C C 6 175.170 174.737 0.433 1
1 52 . 3 1 1 A 6 6 TRP CA C 6 55.190 55.321 -0.131 1
1 53 . 3 1 1 A 6 6 TRP CB C 6 31.720 32.104 -0.384 1
1 58 . 3 1 1 A 6 6 TRP N N 6 127.530 125.779 1.751 1
1 59 . 3 1 1 A 7 7 GLN H H 7 9.359 9.338 0.021 1
1 60 . 3 1 1 A 7 7 GLN HA H 7 5.052 nan 5.052 1
1 67 . 3 1 1 A 7 7 GLN C C 7 175.870 174.952 0.918 1
1 68 . 3 1 1 A 7 7 GLN CA C 7 54.020 54.299 -0.279 1
1 69 . 3 1 1 A 7 7 GLN CB C 7 31.700 32.122 -0.422 1
1 71 . 3 1 1 A 7 7 GLN N N 7 122.500 121.828 0.672 1
1 73 . 3 1 1 A 8 8 VAL H H 8 8.590 8.896 -0.306 1
1 74 . 3 1 1 A 8 8 VAL HA H 8 4.511 nan 4.511 1
1 82 . 3 1 1 A 8 8 VAL C C 8 175.850 176.449 -0.599 1
1 83 . 3 1 1 A 8 8 VAL CA C 8 63.420 62.555 0.865 1
1 84 . 3 1 1 A 8 8 VAL CB C 8 31.720 31.903 -0.183 1
1 87 . 3 1 1 A 8 8 VAL N N 8 131.500 127.509 3.991 1
1 88 . 3 1 1 A 9 9 TYR H H 9 9.595 8.269 1.326 1
1 89 . 3 1 1 A 9 9 TYR HA H 9 5.184 nan 5.184 1
1 94 . 3 1 1 A 9 9 TYR C C 9 174.140 175.523 -1.383 1
1 95 . 3 1 1 A 9 9 TYR CA C 9 56.370 56.903 -0.533 1
1 96 . 3 1 1 A 9 9 TYR CB C 9 40.530 40.241 0.289 1
1 99 . 3 1 1 A 9 9 TYR N N 9 123.060 121.581 1.479 1
1 100 . 3 1 1 A 10 10 ALA H H 10 7.380 7.199 0.181 1
1 101 . 3 1 1 A 10 10 ALA HA H 10 4.720 nan 4.720 1
1 105 . 3 1 1 A 10 10 ALA C C 10 175.100 177.207 -2.107 1
1 106 . 3 1 1 A 10 10 ALA CA C 10 51.660 51.139 0.521 1
1 107 . 3 1 1 A 10 10 ALA CB C 10 22.330 21.126 1.204 1
1 108 . 3 1 1 A 10 10 ALA N N 10 125.830 123.830 2.000 1
1 109 . 3 1 1 A 11 11 GLN H H 11 8.761 8.535 0.226 1
1 110 . 3 1 1 A 11 11 GLN HA H 11 5.289 nan 5.289 1
1 115 . 3 1 1 A 11 11 GLN C C 11 174.400 175.364 -0.964 1
1 116 . 3 1 1 A 11 11 GLN CA C 11 54.020 54.824 -0.804 1
1 117 . 3 1 1 A 11 11 GLN CB C 11 32.310 30.023 2.287 1
1 119 . 3 1 1 A 11 11 GLN N N 11 118.530 119.580 -1.050 1
1 120 . 3 1 1 A 12 12 GLU H H 12 9.353 7.528 1.825 1
1 121 . 3 1 1 A 12 12 GLU HA H 12 4.670 nan 4.670 1
1 126 . 3 1 1 A 12 12 GLU C C 12 176.600 176.798 -0.198 1
1 127 . 3 1 1 A 12 12 GLU CA C 12 55.780 56.811 -1.031 1
1 128 . 3 1 1 A 12 12 GLU CB C 12 31.720 29.558 2.162 1
1 130 . 3 1 1 A 12 12 GLU N N 12 123.630 120.799 2.831 1
1 131 . 3 1 1 A 13 13 ASN H H 13 9.240 9.346 -0.106 1
1 132 . 3 1 1 A 13 13 ASN HA H 13 4.780 nan 4.780 1
1 137 . 3 1 1 A 13 13 ASN C C 13 175.720 175.203 0.517 1
1 138 . 3 1 1 A 13 13 ASN CA C 13 54.010 54.684 -0.674 1
1 139 . 3 1 1 A 13 13 ASN CB C 13 44.800 36.775 8.025 1
1 140 . 3 1 1 A 13 13 ASN N N 13 117.430 120.092 -2.662 1
1 142 . 3 1 1 A 14 14 TYR HA H 14 4.540 nan 4.540 1
1 147 . 3 1 1 A 14 14 TYR C C 14 177.100 177.635 -0.535 1
1 148 . 3 1 1 A 14 14 TYR CA C 14 59.890 62.208 -2.318 1
1 149 . 3 1 1 A 14 14 TYR CB C 14 39.350 38.969 0.381 1
1 152 . 3 1 1 A 14 14 TYR N N 14 118.530 119.226 -0.696 1
1 153 . 3 1 1 A 15 15 GLU H H 15 8.970 8.604 0.366 1
1 154 . 3 1 1 A 15 15 GLU HA H 15 3.680 nan 3.680 1
1 157 . 3 1 1 A 15 15 GLU C C 15 179.100 178.505 0.595 1
1 158 . 3 1 1 A 15 15 GLU CA C 15 61.070 58.159 2.911 1
1 159 . 3 1 1 A 15 15 GLU CB C 15 28.200 28.091 0.109 1
1 161 . 3 1 1 A 15 15 GLU N N 15 117.930 117.974 -0.044 1
1 162 . 3 1 1 A 16 16 GLU H H 16 9.020 8.060 0.960 1
1 163 . 3 1 1 A 16 16 GLU HA H 16 3.950 nan 3.950 1
1 167 . 3 1 1 A 16 16 GLU C C 16 179.200 179.220 -0.020 1
1 168 . 3 1 1 A 16 16 GLU CA C 16 59.890 58.792 1.098 1
1 169 . 3 1 1 A 16 16 GLU CB C 16 28.200 29.846 -1.646 1
1 171 . 3 1 1 A 16 16 GLU N N 16 118.530 118.991 -0.461 1
1 172 . 3 1 1 A 17 17 PHE H H 17 8.490 7.656 0.834 1
1 173 . 3 1 1 A 17 17 PHE HA H 17 4.130 nan 4.130 1
1 178 . 3 1 1 A 17 17 PHE C C 17 176.000 177.592 -1.592 1
1 179 . 3 1 1 A 17 17 PHE CA C 17 62.240 59.753 2.487 1
1 180 . 3 1 1 A 17 17 PHE CB C 17 39.930 37.653 2.277 1
1 183 . 3 1 1 A 17 17 PHE N N 17 124.190 116.918 7.272 1
1 184 . 3 1 1 A 18 18 LEU H H 18 8.460 7.363 1.097 1
1 185 . 3 1 1 A 18 18 LEU HA H 18 3.770 nan 3.770 1
1 195 . 3 1 1 A 18 18 LEU C C 18 179.500 179.202 0.298 1
1 196 . 3 1 1 A 18 18 LEU CA C 18 58.130 57.793 0.337 1
1 197 . 3 1 1 A 18 18 LEU CB C 18 41.100 41.362 -0.262 1
1 201 . 3 1 1 A 18 18 LEU N N 18 117.430 120.985 -3.555 1
1 202 . 3 1 1 A 19 19 LYS H H 19 7.760 7.466 0.294 1
1 203 . 3 1 1 A 19 19 LYS HA H 19 4.120 nan 4.120 1
1 209 . 3 1 1 A 19 19 LYS C C 19 180.710 177.358 3.352 1
1 210 . 3 1 1 A 19 19 LYS CA C 19 58.720 58.149 0.571 1
1 211 . 3 1 1 A 19 19 LYS CB C 19 31.720 32.007 -0.287 1
1 215 . 3 1 1 A 19 19 LYS N N 19 116.830 116.738 0.092 1
1 216 . 3 1 1 A 20 20 ALA H H 20 8.050 7.808 0.242 1
1 217 . 3 1 1 A 20 20 ALA HA H 20 4.270 nan 4.270 1
1 221 . 3 1 1 A 20 20 ALA C C 20 179.050 177.329 1.721 1
1 222 . 3 1 1 A 20 20 ALA CA C 20 54.600 51.536 3.064 1
1 223 . 3 1 1 A 20 20 ALA CB C 20 17.630 20.079 -2.449 1
1 224 . 3 1 1 A 20 20 ALA N N 20 125.880 121.106 4.774 1
1 225 . 3 1 1 A 21 21 LEU H H 21 7.330 7.663 -0.333 1
1 226 . 3 1 1 A 21 21 LEU HA H 21 3.780 nan 3.780 1
1 236 . 3 1 1 A 21 21 LEU C C 21 175.540 176.759 -1.219 1
1 237 . 3 1 1 A 21 21 LEU CA C 21 55.200 53.581 1.619 1
1 238 . 3 1 1 A 21 21 LEU CB C 21 41.700 43.823 -2.123 1
1 242 . 3 1 1 A 21 21 LEU N N 21 115.750 119.362 -3.612 1
1 243 . 3 1 1 A 22 22 ALA H H 22 7.990 8.257 -0.267 1
1 244 . 3 1 1 A 22 22 ALA HA H 22 4.010 nan 4.010 1
1 248 . 3 1 1 A 22 22 ALA C C 22 177.000 175.772 1.228 1
1 249 . 3 1 1 A 22 22 ALA CA C 22 52.260 52.084 0.176 1
1 250 . 3 1 1 A 22 22 ALA CB C 22 16.460 19.195 -2.735 1
1 251 . 3 1 1 A 22 22 ALA N N 22 118.000 123.869 -5.869 1
1 252 . 3 1 1 A 23 23 LEU H H 23 7.010 7.411 -0.401 1
1 253 . 3 1 1 A 23 23 LEU HA H 23 4.440 nan 4.440 1
1 263 . 3 1 1 A 23 23 LEU C C 23 174.650 175.931 -1.281 1
1 264 . 3 1 1 A 23 23 LEU CA C 23 53.440 50.822 2.618 1
1 265 . 3 1 1 A 23 23 LEU CB C 23 41.700 43.017 -1.317 1
1 269 . 3 1 1 A 23 23 LEU N N 23 119.130 119.704 -0.574 1
1 270 . 3 1 1 A 24 24 PRO HA H 24 4.570 nan 4.570 1
1 277 . 3 1 1 A 24 24 PRO C C 24 177.830 177.980 -0.150 1
1 278 . 3 1 1 A 24 24 PRO CA C 24 62.240 63.102 -0.862 1
1 279 . 3 1 1 A 24 24 PRO CB C 24 32.310 30.509 1.801 1
1 282 . 3 1 1 A 25 25 GLU H H 25 8.910 8.089 0.821 1
1 283 . 3 1 1 A 25 25 GLU HA H 25 3.900 nan 3.900 1
1 288 . 3 1 1 A 25 25 GLU C C 25 178.140 176.599 1.541 1
1 289 . 3 1 1 A 25 25 GLU CA C 25 59.890 58.357 1.533 1
1 290 . 3 1 1 A 25 25 GLU CB C 25 29.370 29.419 -0.049 1
1 292 . 3 1 1 A 25 25 GLU N N 25 122.500 118.894 3.606 1
1 293 . 3 1 1 A 26 26 ASP H H 26 9.000 8.458 0.542 1
1 294 . 3 1 1 A 26 26 ASP HA H 26 4.410 nan 4.410 1
1 297 . 3 1 1 A 26 26 ASP C C 26 178.610 178.448 0.162 1
1 298 . 3 1 1 A 26 26 ASP CA C 26 56.370 57.246 -0.876 1
1 299 . 3 1 1 A 26 26 ASP CB C 26 39.350 41.732 -2.382 1
1 300 . 3 1 1 A 26 26 ASP N N 26 116.310 119.894 -3.584 1
1 301 . 3 1 1 A 27 27 LEU H H 27 7.440 7.992 -0.552 1
1 302 . 3 1 1 A 27 27 LEU HA H 27 4.400 nan 4.400 1
1 312 . 3 1 1 A 27 27 LEU C C 27 178.480 178.404 0.076 1
1 313 . 3 1 1 A 27 27 LEU CA C 27 56.370 56.329 0.041 1
1 314 . 3 1 1 A 27 27 LEU CB C 27 41.210 41.341 -0.131 1
1 318 . 3 1 1 A 27 27 LEU N N 27 120.250 119.040 1.210 1
1 319 . 3 1 1 A 28 28 ILE H H 28 8.040 8.049 -0.009 1
1 320 . 3 1 1 A 28 28 ILE HA H 28 3.430 nan 3.430 1
1 330 . 3 1 1 A 28 28 ILE C C 28 177.705 177.647 0.058 1
1 331 . 3 1 1 A 28 28 ILE CA C 28 66.350 65.292 1.058 1
1 332 . 3 1 1 A 28 28 ILE CB C 28 37.000 37.255 -0.255 1
1 336 . 3 1 1 A 28 28 ILE N N 28 121.930 119.308 2.622 1
1 337 . 3 1 1 A 29 29 LYS H H 29 7.830 7.499 0.331 1
1 338 . 3 1 1 A 29 29 LYS HA H 29 3.940 nan 3.940 1
1 344 . 3 1 1 A 29 29 LYS C C 29 179.200 178.726 0.474 1
1 345 . 3 1 1 A 29 29 LYS CA C 29 59.890 59.152 0.738 1
1 346 . 3 1 1 A 29 29 LYS CB C 29 31.700 32.021 -0.321 1
1 350 . 3 1 1 A 29 29 LYS N N 29 116.880 119.730 -2.850 1
1 351 . 3 1 1 A 30 30 MET H H 30 7.290 7.870 -0.580 1
1 352 . 3 1 1 A 30 30 MET HA H 30 4.268 nan 4.268 1
1 360 . 3 1 1 A 30 30 MET C C 30 177.710 178.107 -0.397 1
1 361 . 3 1 1 A 30 30 MET CA C 30 58.130 57.516 0.614 1
1 362 . 3 1 1 A 30 30 MET CB C 30 33.480 32.108 1.372 1
1 365 . 3 1 1 A 30 30 MET N N 30 116.880 119.349 -2.469 1
1 366 . 3 1 1 A 31 31 ALA H H 31 8.410 8.185 0.225 1
1 367 . 3 1 1 A 31 31 ALA HA H 31 4.180 nan 4.180 1
1 371 . 3 1 1 A 31 31 ALA C C 31 180.650 179.592 1.058 1
1 372 . 3 1 1 A 31 31 ALA CA C 31 54.020 55.188 -1.168 1
1 373 . 3 1 1 A 31 31 ALA CB C 31 19.980 17.624 2.356 1
1 374 . 3 1 1 A 31 31 ALA N N 31 120.250 121.437 -1.187 1
1 375 . 3 1 1 A 32 32 ARG H H 32 8.000 7.918 0.082 1
1 376 . 3 1 1 A 32 32 ARG HA H 32 4.130 nan 4.130 1
1 382 . 3 1 1 A 32 32 ARG C C 32 176.805 177.010 -0.205 1
1 383 . 3 1 1 A 32 32 ARG CA C 32 60.480 57.832 2.648 1
1 384 . 3 1 1 A 32 32 ARG CB C 32 30.540 28.882 1.658 1
1 387 . 3 1 1 A 32 32 ARG N N 32 118.540 116.562 1.978 1
1 388 . 3 1 1 A 33 33 ASP H H 33 7.980 7.662 0.318 1
1 389 . 3 1 1 A 33 33 ASP HA H 33 4.970 nan 4.970 1
1 392 . 3 1 1 A 33 33 ASP C C 33 175.990 176.213 -0.223 1
1 393 . 3 1 1 A 33 33 ASP CA C 33 54.000 54.259 -0.259 1
1 394 . 3 1 1 A 33 33 ASP CB C 33 41.700 41.451 0.249 1
1 395 . 3 1 1 A 33 33 ASP N N 33 116.310 119.471 -3.161 1
1 396 . 3 1 1 A 34 34 ILE H H 34 7.550 7.468 0.082 1
1 397 . 3 1 1 A 34 34 ILE HA H 34 4.150 nan 4.150 1
1 407 . 3 1 1 A 34 34 ILE C C 34 175.797 175.312 0.485 1
1 408 . 3 1 1 A 34 34 ILE CA C 34 61.070 61.219 -0.149 1
1 409 . 3 1 1 A 34 34 ILE CB C 34 38.180 36.725 1.455 1
1 413 . 3 1 1 A 34 34 ILE N N 34 120.870 122.066 -1.196 1
1 414 . 3 1 1 A 35 35 LYS H H 35 8.990 8.659 0.331 1
1 415 . 3 1 1 A 35 35 LYS HA H 35 4.730 nan 4.730 1
1 423 . 3 1 1 A 35 35 LYS C C 35 173.200 173.944 -0.744 1
1 424 . 3 1 1 A 35 35 LYS CA C 35 52.840 53.604 -0.764 1
1 425 . 3 1 1 A 35 35 LYS CB C 35 32.890 33.205 -0.315 1
1 429 . 3 1 1 A 35 35 LYS N N 35 129.810 127.929 1.881 1
1 430 . 3 1 1 A 36 36 PRO HA H 36 4.730 nan 4.730 1
1 436 . 3 1 1 A 36 36 PRO C C 36 173.900 175.682 -1.782 1
1 437 . 3 1 1 A 36 36 PRO CA C 36 62.800 62.210 0.590 1
1 438 . 3 1 1 A 36 36 PRO CB C 36 32.310 33.026 -0.716 1
1 441 . 3 1 1 A 37 37 ILE H H 37 8.400 8.508 -0.108 1
1 442 . 3 1 1 A 37 37 ILE HA H 37 5.090 nan 5.090 1
1 452 . 3 1 1 A 37 37 ILE C C 37 175.257 175.076 0.181 1
1 453 . 3 1 1 A 37 37 ILE CA C 37 62.670 60.623 2.047 1
1 454 . 3 1 1 A 37 37 ILE CB C 37 40.520 38.693 1.827 1
1 458 . 3 1 1 A 37 37 ILE N N 37 121.380 120.653 0.727 1
1 459 . 3 1 1 A 38 38 VAL H H 38 9.550 9.621 -0.071 1
1 460 . 3 1 1 A 38 38 VAL HA H 38 5.180 nan 5.180 1
1 465 . 3 1 1 A 38 38 VAL C C 38 174.875 175.098 -0.223 1
1 466 . 3 1 1 A 38 38 VAL CA C 38 61.060 61.873 -0.813 1
1 467 . 3 1 1 A 38 38 VAL CB C 38 34.650 31.210 3.440 1
1 469 . 3 1 1 A 38 38 VAL N N 38 128.690 129.286 -0.596 1
1 470 . 3 1 1 A 39 39 GLU H H 39 9.710 9.100 0.610 1
1 471 . 3 1 1 A 39 39 GLU HA H 39 5.510 nan 5.510 1
1 476 . 3 1 1 A 39 39 GLU C C 39 175.930 175.107 0.823 1
1 477 . 3 1 1 A 39 39 GLU CA C 39 54.020 55.784 -1.764 1
1 478 . 3 1 1 A 39 39 GLU CB C 39 31.700 30.130 1.570 1
1 480 . 3 1 1 A 39 39 GLU N N 39 128.130 126.922 1.208 1
1 481 . 3 1 1 A 40 40 ILE H H 40 9.760 8.951 0.809 1
1 482 . 3 1 1 A 40 40 ILE HA H 40 5.130 nan 5.130 1
1 492 . 3 1 1 A 40 40 ILE C C 40 175.960 175.597 0.363 1
1 493 . 3 1 1 A 40 40 ILE CA C 40 61.650 60.052 1.598 1
1 494 . 3 1 1 A 40 40 ILE CB C 40 40.520 39.069 1.451 1
1 498 . 3 1 1 A 40 40 ILE N N 40 126.430 126.434 -0.004 1
1 499 . 3 1 1 A 41 41 GLN H H 41 9.380 8.892 0.488 1
1 500 . 3 1 1 A 41 41 GLN HA H 41 4.740 nan 4.740 1
1 506 . 3 1 1 A 41 41 GLN C C 41 173.420 174.083 -0.663 1
1 507 . 3 1 1 A 41 41 GLN CA C 41 54.590 54.265 0.325 1
1 508 . 3 1 1 A 41 41 GLN CB C 41 31.130 32.943 -1.813 1
1 510 . 3 1 1 A 41 41 GLN N N 41 128.130 125.791 2.339 1
1 512 . 3 1 1 A 42 42 GLN H H 42 8.310 8.713 -0.403 1
1 513 . 3 1 1 A 42 42 GLN HA H 42 4.440 nan 4.440 1
1 520 . 3 1 1 A 42 42 GLN C C 42 174.500 175.130 -0.630 1
1 521 . 3 1 1 A 42 42 GLN CA C 42 54.020 53.688 0.332 1
1 522 . 3 1 1 A 42 42 GLN CB C 42 29.960 31.390 -1.430 1
1 524 . 3 1 1 A 42 42 GLN N N 42 125.880 123.982 1.898 1
1 526 . 3 1 1 A 43 43 LYS H H 43 8.290 9.229 -0.939 1
1 527 . 3 1 1 A 43 43 LYS HA H 43 4.420 nan 4.420 1
1 533 . 3 1 1 A 43 43 LYS C C 43 175.990 176.490 -0.500 1
1 534 . 3 1 1 A 43 43 LYS CA C 43 54.020 55.674 -1.654 1
1 535 . 3 1 1 A 43 43 LYS CB C 43 32.890 32.714 0.176 1
1 539 . 3 1 1 A 43 43 LYS N N 43 129.810 125.212 4.598 1
1 540 . 3 1 1 A 44 44 GLY H H 44 9.040 7.789 1.251 1
1 541 . 3 1 1 A 44 44 GLY HA2 H 44 3.660 4.066 -0.406 1
1 542 . 3 1 1 A 44 44 GLY HA3 H 44 4.020 4.066 -0.046 1
1 543 . 3 1 1 A 44 44 GLY C C 44 173.790 174.268 -0.478 1
1 544 . 3 1 1 A 44 44 GLY CA C 44 47.570 46.322 1.248 1
1 545 . 3 1 1 A 44 44 GLY N N 44 116.880 107.539 9.341 1
1 546 . 3 1 1 A 45 45 ASP H H 45 8.920 8.608 0.312 1
1 547 . 3 1 1 A 45 45 ASP HA H 45 4.920 nan 4.920 1
1 550 . 3 1 1 A 45 45 ASP C C 45 174.220 174.887 -0.667 1
1 551 . 3 1 1 A 45 45 ASP CA C 45 54.000 54.825 -0.825 1
1 552 . 3 1 1 A 45 45 ASP CB C 45 38.420 42.004 -3.584 1
1 553 . 3 1 1 A 45 45 ASP N N 45 127.530 125.768 1.762 1
1 554 . 3 1 1 A 46 46 ASP H H 46 8.090 7.617 0.473 1
1 555 . 3 1 1 A 46 46 ASP HA H 46 5.290 nan 5.290 1
1 558 . 3 1 1 A 46 46 ASP C C 46 174.779 174.575 0.204 1
1 559 . 3 1 1 A 46 46 ASP CA C 46 54.020 53.048 0.972 1
1 560 . 3 1 1 A 46 46 ASP CB C 46 41.100 44.947 -3.847 1
1 561 . 3 1 1 A 46 46 ASP N N 46 120.250 117.637 2.613 1
1 562 . 3 1 1 A 47 47 PHE H H 47 9.360 8.512 0.848 1
1 563 . 3 1 1 A 47 47 PHE HA H 47 5.050 nan 5.050 1
1 568 . 3 1 1 A 47 47 PHE C C 47 176.260 174.646 1.614 1
1 569 . 3 1 1 A 47 47 PHE CA C 47 56.370 56.127 0.243 1
1 570 . 3 1 1 A 47 47 PHE CB C 47 42.870 42.116 0.754 1
1 573 . 3 1 1 A 47 47 PHE N N 47 122.500 117.722 4.778 1
1 574 . 3 1 1 A 48 48 VAL H H 48 8.580 9.140 -0.560 1
1 575 . 3 1 1 A 48 48 VAL HA H 48 5.140 nan 5.140 1
1 583 . 3 1 1 A 48 48 VAL C C 48 175.370 174.629 0.741 1
1 584 . 3 1 1 A 48 48 VAL CA C 48 62.200 61.062 1.138 1
1 585 . 3 1 1 A 48 48 VAL CB C 48 33.200 34.100 -0.900 1
1 588 . 3 1 1 A 48 48 VAL N N 48 121.930 121.356 0.574 1
1 589 . 3 1 1 A 49 49 VAL H H 49 9.440 9.361 0.079 1
1 590 . 3 1 1 A 49 49 VAL HA H 49 5.140 nan 5.140 1
1 598 . 3 1 1 A 49 49 VAL C C 49 175.840 175.036 0.804 1
1 599 . 3 1 1 A 49 49 VAL CA C 49 61.040 60.752 0.288 1
1 600 . 3 1 1 A 49 49 VAL CB C 49 33.660 35.580 -1.920 1
1 603 . 3 1 1 A 49 49 VAL N N 49 128.130 127.684 0.446 1
1 604 . 3 1 1 A 50 50 THR H H 50 9.810 8.993 0.817 1
1 605 . 3 1 1 A 50 50 THR HA H 50 5.530 nan 5.530 1
1 610 . 3 1 1 A 50 50 THR C C 50 173.450 173.309 0.141 1
1 611 . 3 1 1 A 50 50 THR CA C 50 61.070 61.441 -0.371 1
1 612 . 3 1 1 A 50 50 THR CB C 50 70.460 71.389 -0.929 1
1 614 . 3 1 1 A 50 50 THR N N 50 128.130 123.292 4.838 1
1 615 . 3 1 1 A 51 51 SER H H 51 9.380 9.029 0.351 1
1 616 . 3 1 1 A 51 51 SER HA H 51 5.380 nan 5.380 1
1 618 . 3 1 1 A 51 51 SER C C 51 173.450 172.914 0.536 1
1 619 . 3 1 1 A 51 51 SER CA C 51 56.960 57.899 -0.939 1
1 620 . 3 1 1 A 51 51 SER CB C 51 64.590 64.314 0.276 1
1 621 . 3 1 1 A 51 51 SER N N 51 123.630 123.746 -0.116 1
1 622 . 3 1 1 A 52 52 LYS H H 52 9.610 9.010 0.600 1
1 623 . 3 1 1 A 52 52 LYS HA H 52 5.270 nan 5.270 1
1 630 . 3 1 1 A 52 52 LYS C C 52 175.850 175.871 -0.021 1
1 631 . 3 1 1 A 52 52 LYS CA C 52 56.370 55.568 0.802 1
1 632 . 3 1 1 A 52 52 LYS CB C 52 33.140 33.154 -0.014 1
1 636 . 3 1 1 A 52 52 LYS N N 52 125.220 125.688 -0.468 1
1 637 . 3 1 1 A 53 53 THR H H 53 8.630 8.167 0.463 1
1 638 . 3 1 1 A 53 53 THR HA H 53 5.040 nan 5.040 1
1 643 . 3 1 1 A 53 53 THR C C 53 172.990 174.071 -1.081 1
1 644 . 3 1 1 A 53 53 THR CA C 53 59.290 58.492 0.798 1
1 645 . 3 1 1 A 53 53 THR CB C 53 69.290 69.867 -0.577 1
1 647 . 3 1 1 A 53 53 THR N N 53 115.190 115.531 -0.341 1
1 648 . 3 1 1 A 54 54 PRO HA H 54 4.390 nan 4.390 1
1 655 . 3 1 1 A 54 54 PRO C C 54 177.230 177.754 -0.524 1
1 656 . 3 1 1 A 54 54 PRO CA C 54 65.760 64.102 1.658 1
1 657 . 3 1 1 A 54 54 PRO CB C 54 31.720 31.734 -0.014 1
1 660 . 3 1 1 A 55 55 ARG H H 55 7.960 8.082 -0.122 1
1 661 . 3 1 1 A 55 55 ARG HA H 55 4.540 nan 4.540 1
1 668 . 3 1 1 A 55 55 ARG C C 55 175.430 174.839 0.591 1
1 669 . 3 1 1 A 55 55 ARG CA C 55 55.190 57.541 -2.351 1
1 670 . 3 1 1 A 55 55 ARG CB C 55 31.720 32.975 -1.255 1
1 673 . 3 1 1 A 55 55 ARG N N 55 111.250 117.691 -6.441 1
1 674 . 3 1 1 A 56 56 GLN H H 56 7.510 7.733 -0.223 1
1 675 . 3 1 1 A 56 56 GLN HA H 56 4.930 nan 4.930 1
1 682 . 3 1 1 A 56 56 GLN C C 56 173.670 174.844 -1.174 1
1 683 . 3 1 1 A 56 56 GLN CA C 56 58.390 54.407 3.983 1
1 684 . 3 1 1 A 56 56 GLN CB C 56 31.720 32.844 -1.124 1
1 686 . 3 1 1 A 56 56 GLN N N 56 118.000 116.154 1.846 1
1 688 . 3 1 1 A 57 57 THR H H 57 8.630 8.682 -0.052 1
1 689 . 3 1 1 A 57 57 THR HA H 57 5.530 nan 5.530 1
1 694 . 3 1 1 A 57 57 THR C C 57 173.300 173.111 0.189 1
1 695 . 3 1 1 A 57 57 THR CA C 57 64.450 61.659 2.791 1
1 696 . 3 1 1 A 57 57 THR CB C 57 71.630 71.730 -0.100 1
1 698 . 3 1 1 A 57 57 THR N N 57 121.380 116.665 4.715 1
1 699 . 3 1 1 A 58 58 VAL H H 58 8.920 8.287 0.633 1
1 700 . 3 1 1 A 58 58 VAL HA H 58 5.100 nan 5.100 1
1 705 . 3 1 1 A 58 58 VAL C C 58 173.800 173.703 0.097 1
1 706 . 3 1 1 A 58 58 VAL CA C 58 54.600 60.260 -5.660 1
1 707 . 3 1 1 A 58 58 VAL CB C 58 34.660 35.420 -0.760 1
1 709 . 3 1 1 A 58 58 VAL N N 58 125.320 124.340 0.980 1
1 710 . 3 1 1 A 59 59 THR H H 59 8.830 8.700 0.130 1
1 711 . 3 1 1 A 59 59 THR HA H 59 5.320 nan 5.320 1
1 716 . 3 1 1 A 59 59 THR C C 59 172.980 173.746 -0.766 1
1 717 . 3 1 1 A 59 59 THR CA C 59 61.650 61.246 0.404 1
1 718 . 3 1 1 A 59 59 THR CB C 59 71.040 70.437 0.603 1
1 720 . 3 1 1 A 59 59 THR N N 59 124.190 122.476 1.714 1
1 721 . 3 1 1 A 60 60 ASN H H 60 9.340 9.706 -0.366 1
1 722 . 3 1 1 A 60 60 ASN HA H 60 5.400 nan 5.400 1
1 727 . 3 1 1 A 60 60 ASN C C 60 172.850 174.534 -1.684 1
1 728 . 3 1 1 A 60 60 ASN CA C 60 52.260 52.061 0.199 1
1 729 . 3 1 1 A 60 60 ASN CB C 60 43.460 41.616 1.844 1
1 730 . 3 1 1 A 60 60 ASN N N 60 124.730 123.795 0.935 1
1 732 . 3 1 1 A 61 61 SER H H 61 8.890 9.202 -0.312 1
1 733 . 3 1 1 A 61 61 SER HA H 61 5.490 nan 5.490 1
1 735 . 3 1 1 A 61 61 SER C C 61 172.560 173.465 -0.905 1
1 736 . 3 1 1 A 61 61 SER CA C 61 56.370 57.815 -1.445 1
1 737 . 3 1 1 A 61 61 SER CB C 61 65.600 64.607 0.993 1
1 738 . 3 1 1 A 61 61 SER N N 61 115.130 121.100 -5.970 1
1 739 . 3 1 1 A 62 62 PHE H H 62 8.330 8.174 0.156 1
1 740 . 3 1 1 A 62 62 PHE HA H 62 5.060 nan 5.060 1
1 745 . 3 1 1 A 62 62 PHE C C 62 172.600 173.994 -1.394 1
1 746 . 3 1 1 A 62 62 PHE CA C 62 56.370 55.579 0.791 1
1 747 . 3 1 1 A 62 62 PHE CB C 62 40.520 42.519 -1.999 1
1 750 . 3 1 1 A 62 62 PHE N N 62 117.430 122.608 -5.178 1
1 751 . 3 1 1 A 63 63 THR H H 63 9.710 8.976 0.734 1
1 752 . 3 1 1 A 63 63 THR HA H 63 5.550 nan 5.550 1
1 757 . 3 1 1 A 63 63 THR C C 63 175.450 174.387 1.063 1
1 758 . 3 1 1 A 63 63 THR CA C 63 61.060 62.444 -1.384 1
1 759 . 3 1 1 A 63 63 THR CB C 63 71.630 69.954 1.676 1
1 761 . 3 1 1 A 63 63 THR N N 63 119.630 117.868 1.762 1
1 762 . 3 1 1 A 64 64 LEU H H 64 9.250 8.980 0.270 1
1 763 . 3 1 1 A 64 64 LEU HA H 64 4.410 nan 4.410 1
1 773 . 3 1 1 A 64 64 LEU C C 64 178.310 177.760 0.550 1
1 774 . 3 1 1 A 64 64 LEU CA C 64 56.370 55.982 0.388 1
1 775 . 3 1 1 A 64 64 LEU CB C 64 41.700 41.691 0.009 1
1 779 . 3 1 1 A 64 64 LEU N N 64 126.430 126.869 -0.439 1
1 780 . 3 1 1 A 65 65 GLY H H 65 9.121 9.449 -0.328 1
1 781 . 3 1 1 A 65 65 GLY HA2 H 65 4.280 4.093 0.187 1
1 782 . 3 1 1 A 65 65 GLY HA3 H 65 3.240 4.093 -0.853 1
1 783 . 3 1 1 A 65 65 GLY C C 65 173.200 174.384 -1.184 1
1 784 . 3 1 1 A 65 65 GLY CA C 65 45.800 45.211 0.589 1
1 785 . 3 1 1 A 65 65 GLY N N 65 107.310 112.631 -5.321 1
1 786 . 3 1 1 A 66 66 LYS H H 66 7.990 7.855 0.135 1
1 787 . 3 1 1 A 66 66 LYS HA H 66 4.790 nan 4.790 1
1 793 . 3 1 1 A 66 66 LYS C C 66 175.500 175.843 -0.343 1
1 794 . 3 1 1 A 66 66 LYS CA C 66 54.000 54.573 -0.573 1
1 795 . 3 1 1 A 66 66 LYS CB C 66 34.660 34.030 0.630 1
1 799 . 3 1 1 A 66 66 LYS N N 66 120.820 120.236 0.584 1
1 800 . 3 1 1 A 67 67 GLU H H 67 8.880 8.617 0.263 1
1 801 . 3 1 1 A 67 67 GLU HA H 67 4.290 nan 4.290 1
1 805 . 3 1 1 A 67 67 GLU C C 67 174.820 176.670 -1.850 1
1 806 . 3 1 1 A 67 67 GLU CA C 67 58.720 56.536 2.184 1
1 807 . 3 1 1 A 67 67 GLU CB C 67 29.960 30.192 -0.232 1
1 808 . 3 1 1 A 67 67 GLU N N 67 129.250 120.287 8.963 1
1 809 . 3 1 1 A 68 68 ALA H H 68 9.430 8.661 0.769 1
1 810 . 3 1 1 A 68 68 ALA HA H 68 4.920 nan 4.920 1
1 814 . 3 1 1 A 68 68 ALA C C 68 175.630 175.569 0.061 1
1 815 . 3 1 1 A 68 68 ALA CA C 68 50.490 50.172 0.318 1
1 816 . 3 1 1 A 68 68 ALA CB C 68 22.910 22.262 0.648 1
1 817 . 3 1 1 A 68 68 ALA N N 68 130.330 125.079 5.251 1
1 818 . 3 1 1 A 69 69 ASP H H 69 8.380 9.033 -0.653 1
1 819 . 3 1 1 A 69 69 ASP HA H 69 5.210 nan 5.210 1
1 821 . 3 1 1 A 69 69 ASP C C 69 175.100 174.758 0.342 1
1 822 . 3 1 1 A 69 69 ASP CA C 69 53.440 53.118 0.322 1
1 823 . 3 1 1 A 69 69 ASP CB C 69 41.700 41.312 0.388 1
1 824 . 3 1 1 A 69 69 ASP N N 69 119.630 123.465 -3.835 1
1 825 . 3 1 1 A 70 70 ILE H H 70 9.120 8.644 0.476 1
1 826 . 3 1 1 A 70 70 ILE HA H 70 4.540 nan 4.540 1
1 836 . 3 1 1 A 70 70 ILE C C 70 175.390 175.283 0.107 1
1 837 . 3 1 1 A 70 70 ILE CA C 70 56.960 60.670 -3.710 1
1 838 . 3 1 1 A 70 70 ILE CB C 70 38.760 37.562 1.198 1
1 842 . 3 1 1 A 70 70 ILE N N 70 126.430 125.558 0.872 1
1 843 . 3 1 1 A 71 71 THR H H 71 9.460 9.077 0.383 1
1 844 . 3 1 1 A 71 71 THR HA H 71 5.310 nan 5.310 1
1 849 . 3 1 1 A 71 71 THR C C 71 174.985 174.236 0.749 1
1 850 . 3 1 1 A 71 71 THR CA C 71 61.650 61.761 -0.111 1
1 851 . 3 1 1 A 71 71 THR CB C 71 69.870 68.727 1.143 1
1 853 . 3 1 1 A 71 71 THR N N 71 123.630 123.046 0.584 1
1 854 . 3 1 1 A 72 72 THR H H 72 9.090 8.437 0.653 1
1 855 . 3 1 1 A 72 72 THR HA H 72 4.350 nan 4.350 1
1 860 . 3 1 1 A 72 72 THR C C 72 177.400 175.853 1.547 1
1 861 . 3 1 1 A 72 72 THR CA C 72 61.460 62.385 -0.925 1
1 862 . 3 1 1 A 72 72 THR CB C 72 69.870 69.427 0.443 1
1 864 . 3 1 1 A 72 72 THR N N 72 116.880 121.563 -4.683 1
1 865 . 3 1 1 A 73 73 MET HA H 73 4.140 nan 4.140 1
1 873 . 3 1 1 A 73 73 MET C C 73 176.100 177.811 -1.711 1
1 874 . 3 1 1 A 73 73 MET CA C 73 58.700 57.551 1.149 1
1 875 . 3 1 1 A 73 73 MET CB C 73 33.480 32.484 0.996 1
1 877 . 3 1 1 A 74 74 ASP H H 74 8.590 7.946 0.644 1
1 878 . 3 1 1 A 74 74 ASP HA H 74 4.637 nan 4.637 1
1 881 . 3 1 1 A 74 74 ASP C C 74 175.130 176.570 -1.440 1
1 882 . 3 1 1 A 74 74 ASP CA C 74 52.850 54.630 -1.780 1
1 883 . 3 1 1 A 74 74 ASP CB C 74 39.350 41.068 -1.718 1
1 884 . 3 1 1 A 74 74 ASP N N 74 112.930 118.333 -5.403 1
1 885 . 3 1 1 A 75 75 GLY H H 75 7.980 8.225 -0.245 1
1 886 . 3 1 1 A 75 75 GLY HA2 H 75 3.660 4.075 -0.415 1
1 887 . 3 1 1 A 75 75 GLY HA3 H 75 4.160 4.075 0.085 1
1 888 . 3 1 1 A 75 75 GLY C C 75 174.725 173.769 0.956 1
1 889 . 3 1 1 A 75 75 GLY CA C 75 45.800 45.533 0.267 1
1 890 . 3 1 1 A 75 75 GLY N N 75 107.880 106.888 0.992 1
1 891 . 3 1 1 A 76 76 LYS H H 76 7.850 7.671 0.179 1
1 892 . 3 1 1 A 76 76 LYS HA H 76 4.396 nan 4.396 1
1 898 . 3 1 1 A 76 76 LYS C C 76 174.820 175.317 -0.497 1
1 899 . 3 1 1 A 76 76 LYS CA C 76 55.780 54.172 1.608 1
1 900 . 3 1 1 A 76 76 LYS CB C 76 32.890 36.208 -3.318 1
1 904 . 3 1 1 A 76 76 LYS N N 76 121.380 115.755 5.625 1
1 905 . 3 1 1 A 77 77 LYS H H 77 8.210 8.423 -0.213 1
1 906 . 3 1 1 A 77 77 LYS HA H 77 5.410 nan 5.410 1
1 912 . 3 1 1 A 77 77 LYS C C 77 176.200 175.413 0.787 1
1 913 . 3 1 1 A 77 77 LYS CA C 77 54.600 55.530 -0.930 1
1 914 . 3 1 1 A 77 77 LYS CB C 77 34.060 33.947 0.113 1
1 918 . 3 1 1 A 77 77 LYS N N 77 119.130 119.735 -0.605 1
1 919 . 3 1 1 A 78 78 LEU H H 78 9.310 8.909 0.401 1
1 920 . 3 1 1 A 78 78 LEU HA H 78 4.790 nan 4.790 1
1 929 . 3 1 1 A 78 78 LEU C C 78 175.100 174.555 0.545 1
1 930 . 3 1 1 A 78 78 LEU CA C 78 54.000 54.090 -0.090 1
1 931 . 3 1 1 A 78 78 LEU CB C 78 44.630 44.342 0.288 1
1 935 . 3 1 1 A 78 78 LEU N N 78 123.630 121.916 1.714 1
1 936 . 3 1 1 A 79 79 LYS H H 79 8.430 8.918 -0.488 1
1 937 . 3 1 1 A 79 79 LYS HA H 79 5.530 nan 5.530 1
1 942 . 3 1 1 A 79 79 LYS CA C 79 54.020 56.067 -2.047 1
1 943 . 3 1 1 A 79 79 LYS CB C 79 32.890 33.105 -0.215 1
1 947 . 3 1 1 A 79 79 LYS N N 79 121.930 127.904 -5.974 1
1 948 . 3 1 1 A 80 80 CYS H H 80 8.910 8.794 0.116 1
1 949 . 3 1 1 A 80 80 CYS HA H 80 4.990 nan 4.990 1
1 952 . 3 1 1 A 80 80 CYS C C 80 175.870 172.867 3.003 1
1 953 . 3 1 1 A 80 80 CYS CA C 80 56.940 56.395 0.545 1
1 954 . 3 1 1 A 80 80 CYS CB C 80 31.130 32.062 -0.932 1
1 955 . 3 1 1 A 80 80 CYS N N 80 117.930 124.129 -6.199 1
1 956 . 3 1 1 A 81 81 THR H H 81 8.620 8.657 -0.037 1
1 957 . 3 1 1 A 81 81 THR HA H 81 5.210 nan 5.210 1
1 962 . 3 1 1 A 81 81 THR C C 81 172.330 172.739 -0.409 1
1 963 . 3 1 1 A 81 81 THR CA C 81 61.070 61.747 -0.677 1
1 964 . 3 1 1 A 81 81 THR CB C 81 69.870 70.029 -0.159 1
1 966 . 3 1 1 A 81 81 THR N N 81 116.330 116.873 -0.543 1
1 967 . 3 1 1 A 82 82 VAL H H 82 9.510 9.145 0.365 1
1 968 . 3 1 1 A 82 82 VAL HA H 82 4.313 nan 4.313 1
1 976 . 3 1 1 A 82 82 VAL C C 82 175.200 174.866 0.334 1
1 977 . 3 1 1 A 82 82 VAL CA C 82 61.060 59.810 1.250 1
1 978 . 3 1 1 A 82 82 VAL CB C 82 32.300 34.145 -1.845 1
1 981 . 3 1 1 A 82 82 VAL N N 82 132.030 127.778 4.252 1
1 982 . 3 1 1 A 83 83 HIS H H 83 8.802 8.780 0.022 1
1 983 . 3 1 1 A 83 83 HIS HA H 83 4.973 nan 4.973 1
1 987 . 3 1 1 A 83 83 HIS C C 83 173.400 172.755 0.645 1
1 988 . 3 1 1 A 83 83 HIS CA C 83 55.020 53.518 1.502 1
1 989 . 3 1 1 A 83 83 HIS CB C 83 34.000 32.885 1.115 1
1 991 . 3 1 1 A 83 83 HIS N N 83 124.190 124.015 0.175 1
1 992 . 3 1 1 A 84 84 LEU H H 84 8.833 8.811 0.022 1
1 993 . 3 1 1 A 84 84 LEU HA H 84 5.355 nan 5.355 1
1 1003 . 3 1 1 A 84 84 LEU C C 84 176.400 175.285 1.115 1
1 1004 . 3 1 1 A 84 84 LEU CA C 84 53.710 54.097 -0.387 1
1 1005 . 3 1 1 A 84 84 LEU CB C 84 44.050 43.460 0.590 1
1 1009 . 3 1 1 A 84 84 LEU N N 84 122.500 124.026 -1.526 1
1 1010 . 3 1 1 A 85 85 ALA H H 85 9.406 8.697 0.709 1
1 1011 . 3 1 1 A 85 85 ALA HA H 85 4.760 nan 4.760 1
1 1015 . 3 1 1 A 85 85 ALA C C 85 176.900 177.098 -0.198 1
1 1016 . 3 1 1 A 85 85 ALA CA C 85 51.080 50.513 0.567 1
1 1017 . 3 1 1 A 85 85 ALA CB C 85 20.460 20.516 -0.056 1
1 1018 . 3 1 1 A 85 85 ALA N N 85 130.380 129.094 1.286 1
1 1019 . 3 1 1 A 86 86 ASN HA H 86 4.450 nan 4.450 1
1 1024 . 3 1 1 A 86 86 ASN C C 86 175.200 174.412 0.788 1
1 1025 . 3 1 1 A 86 86 ASN CA C 86 54.020 54.136 -0.116 1
1 1026 . 3 1 1 A 86 86 ASN CB C 86 34.790 37.483 -2.693 1
1 1028 . 3 1 1 A 87 87 GLY H H 87 8.600 8.394 0.206 1
1 1029 . 3 1 1 A 87 87 GLY HA2 H 87 3.757 3.973 -0.216 1
1 1030 . 3 1 1 A 87 87 GLY HA3 H 87 4.326 3.973 0.353 1
1 1031 . 3 1 1 A 87 87 GLY C C 87 172.970 173.640 -0.670 1
1 1032 . 3 1 1 A 87 87 GLY CA C 87 45.800 45.216 0.584 1
1 1033 . 3 1 1 A 87 87 GLY N N 87 102.830 104.485 -1.655 1
1 1034 . 3 1 1 A 88 88 LYS H H 88 7.927 7.805 0.122 1
1 1035 . 3 1 1 A 88 88 LYS HA H 88 5.108 nan 5.108 1
1 1041 . 3 1 1 A 88 88 LYS C C 88 175.280 175.469 -0.189 1
1 1042 . 3 1 1 A 88 88 LYS CA C 88 54.590 55.031 -0.441 1
1 1043 . 3 1 1 A 88 88 LYS CB C 88 34.660 33.462 1.198 1
1 1047 . 3 1 1 A 88 88 LYS N N 88 120.230 122.084 -1.854 1
1 1048 . 3 1 1 A 89 89 LEU H H 89 8.610 8.931 -0.321 1
1 1049 . 3 1 1 A 89 89 LEU HA H 89 5.200 nan 5.200 1
1 1058 . 3 1 1 A 89 89 LEU C C 89 175.400 175.594 -0.194 1
1 1059 . 3 1 1 A 89 89 LEU CA C 89 54.000 53.510 0.490 1
1 1060 . 3 1 1 A 89 89 LEU CB C 89 41.700 41.115 0.585 1
1 1064 . 3 1 1 A 89 89 LEU N N 89 122.430 128.768 -6.338 1
1 1065 . 3 1 1 A 90 90 VAL H H 90 9.470 8.389 1.081 1
1 1066 . 3 1 1 A 90 90 VAL HA H 90 4.558 nan 4.558 1
1 1071 . 3 1 1 A 90 90 VAL C C 90 175.020 174.925 0.095 1
1 1072 . 3 1 1 A 90 90 VAL CA C 90 61.200 60.964 0.236 1
1 1073 . 3 1 1 A 90 90 VAL CB C 90 32.550 32.864 -0.314 1
1 1075 . 3 1 1 A 90 90 VAL N N 90 122.500 125.976 -3.476 1
1 1076 . 3 1 1 A 91 91 THR H H 91 8.830 8.776 0.054 1
1 1077 . 3 1 1 A 91 91 THR HA H 91 4.760 nan 4.760 1
1 1082 . 3 1 1 A 91 91 THR C C 91 173.200 171.875 1.325 1
1 1083 . 3 1 1 A 91 91 THR CA C 91 62.190 60.248 1.942 1
1 1084 . 3 1 1 A 91 91 THR CB C 91 69.870 71.775 -1.905 1
1 1086 . 3 1 1 A 91 91 THR N N 91 124.190 121.268 2.922 1
1 1087 . 3 1 1 A 92 92 LYS H H 92 9.170 8.728 0.442 1
1 1088 . 3 1 1 A 92 92 LYS HA H 92 4.758 nan 4.758 1
1 1094 . 3 1 1 A 92 92 LYS C C 92 174.440 175.250 -0.810 1
1 1095 . 3 1 1 A 92 92 LYS CA C 92 55.180 54.710 0.470 1
1 1096 . 3 1 1 A 92 92 LYS CB C 92 35.240 36.208 -0.968 1
1 1100 . 3 1 1 A 92 92 LYS N N 92 125.330 126.794 -1.464 1
1 1101 . 3 1 1 A 93 93 SER H H 93 8.320 8.885 -0.565 1
1 1103 . 3 1 1 A 93 93 SER C C 93 173.740 175.496 -1.756 1
1 1104 . 3 1 1 A 93 93 SER CA C 93 55.200 57.061 -1.861 1
1 1105 . 3 1 1 A 93 93 SER CB C 93 62.000 65.996 -3.996 1
1 1106 . 3 1 1 A 93 93 SER N N 93 118.030 119.830 -1.800 1
1 1107 . 3 1 1 A 94 94 GLU H H 94 8.760 9.001 -0.241 1
1 1108 . 3 1 1 A 94 94 GLU HA H 94 4.310 nan 4.310 1
1 1109 . 3 1 1 A 94 94 GLU CA C 94 54.100 58.353 -4.253 1
1 1110 . 3 1 1 A 94 94 GLU N N 94 120.810 122.396 -1.586 1
1 1118 . 3 1 1 A 95 95 LYS CB C 95 34.650 32.812 1.838 1
1 1122 . 3 1 1 A 96 96 PHE H H 96 7.140 7.930 -0.790 1
1 1123 . 3 1 1 A 96 96 PHE HA H 96 5.810 nan 5.810 1
1 1128 . 3 1 1 A 96 96 PHE CA C 96 56.350 57.801 -1.451 1
1 1129 . 3 1 1 A 96 96 PHE CB C 96 43.460 42.392 1.068 1
1 1132 . 3 1 1 A 96 96 PHE N N 96 113.530 124.106 -10.576 1
1 1133 . 3 1 1 A 97 97 SER H H 97 8.660 8.419 0.241 1
1 1134 . 3 1 1 A 97 97 SER HA H 97 5.810 nan 5.810 1
1 1137 . 3 1 1 A 97 97 SER CA C 97 57.540 56.776 0.764 1
1 1138 . 3 1 1 A 97 97 SER CB C 97 66.350 64.858 1.492 1
1 1139 . 3 1 1 A 97 97 SER N N 97 111.810 123.172 -11.362 1
1 1140 . 3 1 1 A 98 98 HIS H H 98 9.440 8.120 1.320 1
1 1141 . 3 1 1 A 98 98 HIS HA H 98 5.780 nan 5.780 1
1 1145 . 3 1 1 A 98 98 HIS CA C 98 58.580 54.053 4.527 1
1 1146 . 3 1 1 A 98 98 HIS CB C 98 35.240 32.625 2.615 1
1 1147 . 3 1 1 A 98 98 HIS N N 98 125.830 125.818 0.012 1
1 1148 . 3 1 1 A 99 99 GLU HA H 99 5.410 nan 5.410 1
1 1152 . 3 1 1 A 99 99 GLU CA C 99 54.600 54.219 0.381 1
1 1153 . 3 1 1 A 99 99 GLU CB C 99 34.060 33.180 0.880 1
1 1155 . 3 1 1 A 100 100 GLN H H 100 9.060 8.594 0.466 1
1 1156 . 3 1 1 A 100 100 GLN HA H 100 5.150 nan 5.150 1
1 1161 . 3 1 1 A 100 100 GLN CA C 100 53.000 54.144 -1.144 1
1 1162 . 3 1 1 A 100 100 GLN CB C 100 34.060 31.556 2.504 1
1 1163 . 3 1 1 A 100 100 GLN N N 100 124.730 123.551 1.179 1
1 1164 . 3 1 1 A 101 101 GLU H H 101 9.110 9.007 0.103 1
1 1165 . 3 1 1 A 101 101 GLU HA H 101 5.110 nan 5.110 1
1 1168 . 3 1 1 A 101 101 GLU C C 101 173.630 175.518 -1.888 1
1 1169 . 3 1 1 A 101 101 GLU CA C 101 54.600 54.982 -0.382 1
1 1170 . 3 1 1 A 101 101 GLU CB C 101 33.480 31.662 1.818 1
1 1171 . 3 1 1 A 101 101 GLU N N 101 126.430 124.318 2.112 1
1 1172 . 3 1 1 A 102 102 VAL H H 102 8.900 9.069 -0.169 1
1 1173 . 3 1 1 A 102 102 VAL HA H 102 4.650 nan 4.650 1
1 1181 . 3 1 1 A 102 102 VAL C C 102 175.060 174.732 0.328 1
1 1182 . 3 1 1 A 102 102 VAL CA C 102 61.020 61.343 -0.323 1
1 1183 . 3 1 1 A 102 102 VAL CB C 102 34.060 33.577 0.483 1
1 1186 . 3 1 1 A 102 102 VAL N N 102 125.310 125.579 -0.269 1
1 1187 . 3 1 1 A 103 103 LYS H H 103 9.007 8.814 0.193 1
1 1188 . 3 1 1 A 103 103 LYS HA H 103 4.660 nan 4.660 1
1 1194 . 3 1 1 A 103 103 LYS C C 103 176.600 176.570 0.030 1
1 1195 . 3 1 1 A 103 103 LYS CA C 103 55.180 55.077 0.103 1
1 1196 . 3 1 1 A 103 103 LYS CB C 103 33.480 33.598 -0.118 1
1 1200 . 3 1 1 A 103 103 LYS N N 103 129.210 126.409 2.801 1
1 1201 . 3 1 1 A 104 104 GLY H H 104 9.190 8.944 0.246 1
1 1202 . 3 1 1 A 104 104 GLY HA2 H 104 3.760 3.956 -0.196 1
1 1203 . 3 1 1 A 104 104 GLY HA3 H 104 4.080 3.956 0.124 1
1 1204 . 3 1 1 A 104 104 GLY C C 104 174.000 174.493 -0.493 1
1 1205 . 3 1 1 A 104 104 GLY CA C 104 47.380 47.322 0.058 1
1 1206 . 3 1 1 A 104 104 GLY N N 104 117.410 115.705 1.705 1
1 1207 . 3 1 1 A 105 105 ASN H H 105 9.120 8.411 0.709 1
1 1208 . 3 1 1 A 105 105 ASN HA H 105 5.050 nan 5.050 1
1 1213 . 3 1 1 A 105 105 ASN C C 105 173.440 173.441 -0.001 1
1 1214 . 3 1 1 A 105 105 ASN CA C 105 52.830 52.492 0.338 1
1 1215 . 3 1 1 A 105 105 ASN CB C 105 39.350 40.110 -0.760 1
1 1216 . 3 1 1 A 105 105 ASN N N 105 126.410 123.011 3.399 1
1 1217 . 3 1 1 A 106 106 GLU H H 106 8.153 7.028 1.125 1
1 1218 . 3 1 1 A 106 106 GLU HA H 106 5.610 nan 5.610 1
1 1223 . 3 1 1 A 106 106 GLU C C 106 173.490 173.700 -0.210 1
1 1224 . 3 1 1 A 106 106 GLU CA C 106 55.200 55.039 0.161 1
1 1225 . 3 1 1 A 106 106 GLU CB C 106 32.890 33.390 -0.500 1
1 1227 . 3 1 1 A 106 106 GLU N N 106 120.250 120.686 -0.436 1
1 1228 . 3 1 1 A 107 107 MET H H 107 8.970 9.078 -0.108 1
1 1229 . 3 1 1 A 107 107 MET HA H 107 5.137 nan 5.137 1
1 1237 . 3 1 1 A 107 107 MET C C 107 174.790 174.407 0.383 1
1 1238 . 3 1 1 A 107 107 MET CA C 107 54.320 53.601 0.719 1
1 1239 . 3 1 1 A 107 107 MET CB C 107 35.830 35.170 0.660 1
1 1242 . 3 1 1 A 107 107 MET N N 107 124.190 125.754 -1.564 1
1 1243 . 3 1 1 A 108 108 VAL H H 108 9.140 9.024 0.116 1
1 1244 . 3 1 1 A 108 108 VAL HA H 108 4.820 nan 4.820 1
1 1249 . 3 1 1 A 108 108 VAL C C 108 175.200 174.861 0.339 1
1 1250 . 3 1 1 A 108 108 VAL CA C 108 61.040 61.268 -0.228 1
1 1251 . 3 1 1 A 108 108 VAL CB C 108 34.070 34.263 -0.193 1
1 1253 . 3 1 1 A 108 108 VAL N N 108 126.440 126.056 0.384 1
1 1254 . 3 1 1 A 109 109 GLU H H 109 9.169 8.974 0.195 1
1 1255 . 3 1 1 A 109 109 GLU HA H 109 5.440 nan 5.440 1
1 1259 . 3 1 1 A 109 109 GLU C C 109 174.260 174.658 -0.398 1
1 1260 . 3 1 1 A 109 109 GLU CA C 109 53.700 54.041 -0.341 1
1 1261 . 3 1 1 A 109 109 GLU CB C 109 32.290 33.521 -1.231 1
1 1263 . 3 1 1 A 109 109 GLU N N 109 128.110 124.470 3.640 1
1 1264 . 3 1 1 A 110 110 THR H H 110 8.920 8.112 0.808 1
1 1265 . 3 1 1 A 110 110 THR HA H 110 5.174 nan 5.174 1
1 1270 . 3 1 1 A 110 110 THR C C 110 174.780 173.529 1.251 1
1 1271 . 3 1 1 A 110 110 THR CA C 110 60.700 61.995 -1.295 1
1 1272 . 3 1 1 A 110 110 THR CB C 110 69.870 70.186 -0.316 1
1 1274 . 3 1 1 A 110 110 THR N N 110 119.130 115.428 3.702 1
1 1275 . 3 1 1 A 111 111 ILE H H 111 9.410 9.171 0.239 1
1 1276 . 3 1 1 A 111 111 ILE HA H 111 5.320 nan 5.320 1
1 1286 . 3 1 1 A 111 111 ILE C C 111 174.820 174.675 0.145 1
1 1287 . 3 1 1 A 111 111 ILE CA C 111 60.310 59.606 0.704 1
1 1288 . 3 1 1 A 111 111 ILE CB C 111 40.520 41.906 -1.386 1
1 1292 . 3 1 1 A 111 111 ILE N N 111 128.110 126.493 1.617 1
1 1293 . 3 1 1 A 112 112 THR H H 112 9.346 8.727 0.619 1
1 1294 . 3 1 1 A 112 112 THR HA H 112 5.840 nan 5.840 1
1 1299 . 3 1 1 A 112 112 THR C C 112 173.920 173.909 0.011 1
1 1300 . 3 1 1 A 112 112 THR CA C 112 61.070 61.303 -0.233 1
1 1301 . 3 1 1 A 112 112 THR CB C 112 70.460 69.972 0.488 1
1 1303 . 3 1 1 A 112 112 THR N N 112 123.630 122.024 1.606 1
1 1304 . 3 1 1 A 113 113 PHE H H 113 9.330 8.978 0.352 1
1 1305 . 3 1 1 A 113 113 PHE HA H 113 4.861 nan 4.861 1
1 1310 . 3 1 1 A 113 113 PHE C C 113 175.430 176.094 -0.664 1
1 1311 . 3 1 1 A 113 113 PHE CA C 113 58.700 57.047 1.653 1
1 1312 . 3 1 1 A 113 113 PHE CB C 113 43.150 41.789 1.361 1
1 1315 . 3 1 1 A 113 113 PHE N N 113 125.330 124.979 0.351 1
1 1316 . 3 1 1 A 114 114 GLY H H 114 8.485 9.194 -0.709 1
1 1317 . 3 1 1 A 114 114 GLY HA2 H 114 3.500 3.967 -0.467 1
1 1318 . 3 1 1 A 114 114 GLY HA3 H 114 3.500 3.967 -0.467 1
1 1319 . 3 1 1 A 114 114 GLY C C 114 175.180 174.822 0.358 1
1 1320 . 3 1 1 A 114 114 GLY CA C 114 46.700 47.351 -0.651 1
1 1321 . 3 1 1 A 114 114 GLY N N 114 115.730 114.152 1.578 1
1 1322 . 3 1 1 A 115 115 GLY H H 115 8.582 8.489 0.093 1
1 1323 . 3 1 1 A 115 115 GLY HA2 H 115 3.637 4.251 -0.614 1
1 1324 . 3 1 1 A 115 115 GLY HA3 H 115 4.196 4.251 -0.055 1
1 1325 . 3 1 1 A 115 115 GLY C C 115 173.680 173.290 0.390 1
1 1326 . 3 1 1 A 115 115 GLY CA C 115 44.480 45.556 -1.076 1
1 1327 . 3 1 1 A 115 115 GLY N N 115 105.040 111.659 -6.619 1
1 1328 . 3 1 1 A 116 116 VAL H H 116 8.199 7.904 0.295 1
1 1329 . 3 1 1 A 116 116 VAL HA H 116 4.353 nan 4.353 1
1 1337 . 3 1 1 A 116 116 VAL C C 116 174.100 173.776 0.324 1
1 1338 . 3 1 1 A 116 116 VAL CA C 116 61.650 59.059 2.591 1
1 1339 . 3 1 1 A 116 116 VAL CB C 116 33.970 35.739 -1.769 1
1 1342 . 3 1 1 A 116 116 VAL N N 116 123.630 119.948 3.682 1
1 1343 . 3 1 1 A 117 117 THR H H 117 8.797 8.597 0.200 1
1 1344 . 3 1 1 A 117 117 THR HA H 117 5.323 nan 5.323 1
1 1349 . 3 1 1 A 117 117 THR C C 117 173.510 174.326 -0.816 1
1 1350 . 3 1 1 A 117 117 THR CA C 117 61.650 61.642 0.008 1
1 1351 . 3 1 1 A 117 117 THR CB C 117 69.840 70.438 -0.598 1
1 1353 . 3 1 1 A 117 117 THR N N 117 123.030 122.822 0.208 1
1 1354 . 3 1 1 A 118 118 LEU H H 118 9.491 9.366 0.125 1
1 1355 . 3 1 1 A 118 118 LEU HA H 118 4.800 nan 4.800 1
1 1365 . 3 1 1 A 118 118 LEU C C 118 175.250 175.540 -0.290 1
1 1366 . 3 1 1 A 118 118 LEU CA C 118 53.420 52.562 0.858 1
1 1367 . 3 1 1 A 118 118 LEU CB C 118 43.970 46.186 -2.216 1
1 1371 . 3 1 1 A 118 118 LEU N N 118 131.530 122.020 9.510 1
1 1372 . 3 1 1 A 119 119 ILE H H 119 7.902 8.624 -0.722 1
1 1373 . 3 1 1 A 119 119 ILE HA H 119 5.127 nan 5.127 1
1 1383 . 3 1 1 A 119 119 ILE C C 119 175.450 174.727 0.723 1
1 1384 . 3 1 1 A 119 119 ILE CA C 119 59.780 59.645 0.135 1
1 1385 . 3 1 1 A 119 119 ILE CB C 119 39.350 41.098 -1.748 1
1 1389 . 3 1 1 A 119 119 ILE N N 119 125.320 120.238 5.082 1
1 1390 . 3 1 1 A 120 120 ARG H H 120 9.550 8.344 1.206 1
1 1391 . 3 1 1 A 120 120 ARG HA H 120 5.420 nan 5.420 1
1 1395 . 3 1 1 A 120 120 ARG C C 120 174.890 174.931 -0.041 1
1 1396 . 3 1 1 A 120 120 ARG CA C 120 54.610 54.005 0.605 1
1 1397 . 3 1 1 A 120 120 ARG CB C 120 34.060 33.720 0.340 1
1 1400 . 3 1 1 A 120 120 ARG N N 120 126.430 125.880 0.550 1
1 1401 . 3 1 1 A 121 121 ARG H H 121 9.250 8.464 0.786 1
1 1402 . 3 1 1 A 121 121 ARG HA H 121 5.410 nan 5.410 1
1 1409 . 3 1 1 A 121 121 ARG C C 121 174.780 175.198 -0.418 1
1 1410 . 3 1 1 A 121 121 ARG CA C 121 54.770 55.143 -0.373 1
1 1411 . 3 1 1 A 121 121 ARG CB C 121 31.650 31.130 0.520 1
1 1414 . 3 1 1 A 121 121 ARG N N 121 128.130 123.474 4.656 1
1 1415 . 3 1 1 A 122 122 SER H H 122 9.617 8.892 0.725 1
1 1416 . 3 1 1 A 122 122 SER HA H 122 5.819 nan 5.819 1
1 1419 . 3 1 1 A 122 122 SER C C 122 172.460 174.224 -1.764 1
1 1420 . 3 1 1 A 122 122 SER CA C 122 57.540 57.726 -0.186 1
1 1421 . 3 1 1 A 122 122 SER CB C 122 66.939 64.309 2.630 1
1 1422 . 3 1 1 A 122 122 SER N N 122 118.000 120.094 -2.094 1
1 1423 . 3 1 1 A 123 123 LYS H H 123 8.699 8.944 -0.245 1
1 1424 . 3 1 1 A 123 123 LYS HA H 123 5.801 nan 5.801 1
1 1430 . 3 1 1 A 123 123 LYS C C 123 175.440 177.956 -2.516 1
1 1431 . 3 1 1 A 123 123 LYS CA C 123 53.430 54.860 -1.430 1
1 1432 . 3 1 1 A 123 123 LYS CB C 123 35.830 33.494 2.336 1
1 1436 . 3 1 1 A 123 123 LYS N N 123 120.260 126.225 -5.965 1
1 1437 . 3 1 1 A 124 124 ARG H H 124 8.256 8.468 -0.212 1
1 1438 . 3 1 1 A 124 124 ARG HA H 124 4.040 nan 4.040 1
1 1445 . 3 1 1 A 124 124 ARG C C 124 176.530 176.121 0.409 1
1 1446 . 3 1 1 A 124 124 ARG CA C 124 56.960 55.867 1.093 1
1 1447 . 3 1 1 A 124 124 ARG CB C 124 30.540 29.329 1.211 1
1 1450 . 3 1 1 A 124 124 ARG N N 124 124.780 118.627 6.153 1
1 7 . 4 1 1 A 2 2 PHE H H 2 8.500 8.420 0.080 1
1 8 . 4 1 1 A 2 2 PHE HA H 2 4.440 nan 4.440 1
1 12 . 4 1 1 A 2 2 PHE C C 2 175.800 176.219 -0.419 1
1 13 . 4 1 1 A 2 2 PHE CA C 2 61.060 57.810 3.250 1
1 14 . 4 1 1 A 2 2 PHE CB C 2 40.690 39.013 1.677 1
1 16 . 4 1 1 A 2 2 PHE N N 2 115.730 116.073 -0.343 1
1 17 . 4 1 1 A 3 3 SER H H 3 8.110 8.052 0.058 1
1 18 . 4 1 1 A 3 3 SER HA H 3 4.500 nan 4.500 1
1 20 . 4 1 1 A 3 3 SER C C 3 174.470 174.798 -0.328 1
1 21 . 4 1 1 A 3 3 SER CA C 3 59.890 60.294 -0.404 1
1 22 . 4 1 1 A 3 3 SER CB C 3 60.610 63.305 -2.695 1
1 23 . 4 1 1 A 3 3 SER N N 3 111.250 116.073 -4.823 1
1 24 . 4 1 1 A 4 4 GLY H H 4 9.130 8.417 0.713 1
1 25 . 4 1 1 A 4 4 GLY HA2 H 4 4.081 4.265 -0.184 1
1 26 . 4 1 1 A 4 4 GLY HA3 H 4 3.896 4.265 -0.369 1
1 27 . 4 1 1 A 4 4 GLY C C 4 170.770 171.369 -0.599 1
1 28 . 4 1 1 A 4 4 GLY CA C 4 44.040 46.080 -2.040 1
1 29 . 4 1 1 A 4 4 GLY N N 4 111.720 111.818 -0.098 1
1 30 . 4 1 1 A 5 5 THR H H 5 8.306 8.172 0.134 1
1 31 . 4 1 1 A 5 5 THR HA H 5 4.980 nan 4.980 1
1 36 . 4 1 1 A 5 5 THR C C 5 172.600 173.487 -0.887 1
1 37 . 4 1 1 A 5 5 THR CA C 5 62.800 61.385 1.415 1
1 38 . 4 1 1 A 5 5 THR CB C 5 68.690 69.264 -0.574 1
1 40 . 4 1 1 A 5 5 THR N N 5 117.930 115.468 2.462 1
1 41 . 4 1 1 A 6 6 TRP H H 6 9.590 9.142 0.448 1
1 42 . 4 1 1 A 6 6 TRP HA H 6 5.180 nan 5.180 1
1 51 . 4 1 1 A 6 6 TRP C C 6 175.170 174.829 0.341 1
1 52 . 4 1 1 A 6 6 TRP CA C 6 55.190 55.749 -0.559 1
1 53 . 4 1 1 A 6 6 TRP CB C 6 31.720 31.944 -0.224 1
1 58 . 4 1 1 A 6 6 TRP N N 6 127.530 128.187 -0.657 1
1 59 . 4 1 1 A 7 7 GLN H H 7 9.359 9.181 0.178 1
1 60 . 4 1 1 A 7 7 GLN HA H 7 5.052 nan 5.052 1
1 67 . 4 1 1 A 7 7 GLN C C 7 175.870 175.526 0.344 1
1 68 . 4 1 1 A 7 7 GLN CA C 7 54.020 54.314 -0.294 1
1 69 . 4 1 1 A 7 7 GLN CB C 7 31.700 32.123 -0.423 1
1 71 . 4 1 1 A 7 7 GLN N N 7 122.500 121.856 0.644 1
1 73 . 4 1 1 A 8 8 VAL H H 8 8.590 8.933 -0.343 1
1 74 . 4 1 1 A 8 8 VAL HA H 8 4.511 nan 4.511 1
1 82 . 4 1 1 A 8 8 VAL C C 8 175.850 175.301 0.549 1
1 83 . 4 1 1 A 8 8 VAL CA C 8 63.420 61.510 1.910 1
1 84 . 4 1 1 A 8 8 VAL CB C 8 31.720 33.208 -1.488 1
1 87 . 4 1 1 A 8 8 VAL N N 8 131.500 123.049 8.451 1
1 88 . 4 1 1 A 9 9 TYR H H 9 9.595 8.156 1.439 1
1 89 . 4 1 1 A 9 9 TYR HA H 9 5.184 nan 5.184 1
1 94 . 4 1 1 A 9 9 TYR C C 9 174.140 174.869 -0.729 1
1 95 . 4 1 1 A 9 9 TYR CA C 9 56.370 56.193 0.177 1
1 96 . 4 1 1 A 9 9 TYR CB C 9 40.530 38.245 2.285 1
1 99 . 4 1 1 A 9 9 TYR N N 9 123.060 119.854 3.206 1
1 100 . 4 1 1 A 10 10 ALA H H 10 7.380 7.827 -0.447 1
1 101 . 4 1 1 A 10 10 ALA HA H 10 4.720 nan 4.720 1
1 105 . 4 1 1 A 10 10 ALA C C 10 175.100 176.934 -1.834 1
1 106 . 4 1 1 A 10 10 ALA CA C 10 51.660 50.349 1.311 1
1 107 . 4 1 1 A 10 10 ALA CB C 10 22.330 22.655 -0.325 1
1 108 . 4 1 1 A 10 10 ALA N N 10 125.830 122.555 3.275 1
1 109 . 4 1 1 A 11 11 GLN H H 11 8.761 8.880 -0.119 1
1 110 . 4 1 1 A 11 11 GLN HA H 11 5.289 nan 5.289 1
1 115 . 4 1 1 A 11 11 GLN C C 11 174.400 175.896 -1.496 1
1 116 . 4 1 1 A 11 11 GLN CA C 11 54.020 54.786 -0.766 1
1 117 . 4 1 1 A 11 11 GLN CB C 11 32.310 29.214 3.096 1
1 119 . 4 1 1 A 11 11 GLN N N 11 118.530 121.987 -3.457 1
1 120 . 4 1 1 A 12 12 GLU H H 12 9.353 7.626 1.727 1
1 121 . 4 1 1 A 12 12 GLU HA H 12 4.670 nan 4.670 1
1 126 . 4 1 1 A 12 12 GLU C C 12 176.600 176.910 -0.310 1
1 127 . 4 1 1 A 12 12 GLU CA C 12 55.780 57.154 -1.374 1
1 128 . 4 1 1 A 12 12 GLU CB C 12 31.720 29.512 2.208 1
1 130 . 4 1 1 A 12 12 GLU N N 12 123.630 120.270 3.360 1
1 131 . 4 1 1 A 13 13 ASN H H 13 9.240 9.374 -0.134 1
1 132 . 4 1 1 A 13 13 ASN HA H 13 4.780 nan 4.780 1
1 137 . 4 1 1 A 13 13 ASN C C 13 175.720 175.131 0.589 1
1 138 . 4 1 1 A 13 13 ASN CA C 13 54.010 54.675 -0.665 1
1 139 . 4 1 1 A 13 13 ASN CB C 13 44.800 36.769 8.031 1
1 140 . 4 1 1 A 13 13 ASN N N 13 117.430 121.287 -3.857 1
1 142 . 4 1 1 A 14 14 TYR HA H 14 4.540 nan 4.540 1
1 147 . 4 1 1 A 14 14 TYR C C 14 177.100 177.493 -0.393 1
1 148 . 4 1 1 A 14 14 TYR CA C 14 59.890 61.688 -1.798 1
1 149 . 4 1 1 A 14 14 TYR CB C 14 39.350 39.199 0.151 1
1 152 . 4 1 1 A 14 14 TYR N N 14 118.530 119.153 -0.623 1
1 153 . 4 1 1 A 15 15 GLU H H 15 8.970 8.392 0.578 1
1 154 . 4 1 1 A 15 15 GLU HA H 15 3.680 nan 3.680 1
1 157 . 4 1 1 A 15 15 GLU C C 15 179.100 178.433 0.667 1
1 158 . 4 1 1 A 15 15 GLU CA C 15 61.070 59.058 2.012 1
1 159 . 4 1 1 A 15 15 GLU CB C 15 28.200 28.548 -0.348 1
1 161 . 4 1 1 A 15 15 GLU N N 15 117.930 118.694 -0.764 1
1 162 . 4 1 1 A 16 16 GLU H H 16 9.020 8.027 0.993 1
1 163 . 4 1 1 A 16 16 GLU HA H 16 3.950 nan 3.950 1
1 167 . 4 1 1 A 16 16 GLU C C 16 179.200 178.965 0.235 1
1 168 . 4 1 1 A 16 16 GLU CA C 16 59.890 59.134 0.756 1
1 169 . 4 1 1 A 16 16 GLU CB C 16 28.200 29.335 -1.135 1
1 171 . 4 1 1 A 16 16 GLU N N 16 118.530 119.559 -1.029 1
1 172 . 4 1 1 A 17 17 PHE H H 17 8.490 7.876 0.614 1
1 173 . 4 1 1 A 17 17 PHE HA H 17 4.130 nan 4.130 1
1 178 . 4 1 1 A 17 17 PHE C C 17 176.000 177.965 -1.965 1
1 179 . 4 1 1 A 17 17 PHE CA C 17 62.240 60.046 2.194 1
1 180 . 4 1 1 A 17 17 PHE CB C 17 39.930 37.792 2.138 1
1 183 . 4 1 1 A 17 17 PHE N N 17 124.190 116.806 7.384 1
1 184 . 4 1 1 A 18 18 LEU H H 18 8.460 7.500 0.960 1
1 185 . 4 1 1 A 18 18 LEU HA H 18 3.770 nan 3.770 1
1 195 . 4 1 1 A 18 18 LEU C C 18 179.500 178.977 0.523 1
1 196 . 4 1 1 A 18 18 LEU CA C 18 58.130 57.858 0.272 1
1 197 . 4 1 1 A 18 18 LEU CB C 18 41.100 41.265 -0.165 1
1 201 . 4 1 1 A 18 18 LEU N N 18 117.430 121.545 -4.115 1
1 202 . 4 1 1 A 19 19 LYS H H 19 7.760 8.319 -0.559 1
1 203 . 4 1 1 A 19 19 LYS HA H 19 4.120 nan 4.120 1
1 209 . 4 1 1 A 19 19 LYS C C 19 180.710 177.558 3.152 1
1 210 . 4 1 1 A 19 19 LYS CA C 19 58.720 58.340 0.380 1
1 211 . 4 1 1 A 19 19 LYS CB C 19 31.720 32.396 -0.676 1
1 215 . 4 1 1 A 19 19 LYS N N 19 116.830 119.146 -2.316 1
1 216 . 4 1 1 A 20 20 ALA H H 20 8.050 7.883 0.167 1
1 217 . 4 1 1 A 20 20 ALA HA H 20 4.270 nan 4.270 1
1 221 . 4 1 1 A 20 20 ALA C C 20 179.050 176.550 2.500 1
1 222 . 4 1 1 A 20 20 ALA CA C 20 54.600 52.194 2.406 1
1 223 . 4 1 1 A 20 20 ALA CB C 20 17.630 19.974 -2.344 1
1 224 . 4 1 1 A 20 20 ALA N N 20 125.880 119.908 5.972 1
1 225 . 4 1 1 A 21 21 LEU H H 21 7.330 7.546 -0.216 1
1 226 . 4 1 1 A 21 21 LEU HA H 21 3.780 nan 3.780 1
1 236 . 4 1 1 A 21 21 LEU C C 21 175.540 175.396 0.144 1
1 237 . 4 1 1 A 21 21 LEU CA C 21 55.200 53.149 2.051 1
1 238 . 4 1 1 A 21 21 LEU CB C 21 41.700 44.745 -3.045 1
1 242 . 4 1 1 A 21 21 LEU N N 21 115.750 114.531 1.219 1
1 243 . 4 1 1 A 22 22 ALA H H 22 7.990 8.601 -0.611 1
1 244 . 4 1 1 A 22 22 ALA HA H 22 4.010 nan 4.010 1
1 248 . 4 1 1 A 22 22 ALA C C 22 177.000 175.993 1.007 1
1 249 . 4 1 1 A 22 22 ALA CA C 22 52.260 53.171 -0.911 1
1 250 . 4 1 1 A 22 22 ALA CB C 22 16.460 17.590 -1.130 1
1 251 . 4 1 1 A 22 22 ALA N N 22 118.000 121.922 -3.922 1
1 252 . 4 1 1 A 23 23 LEU H H 23 7.010 7.706 -0.696 1
1 253 . 4 1 1 A 23 23 LEU HA H 23 4.440 nan 4.440 1
1 263 . 4 1 1 A 23 23 LEU C C 23 174.650 176.404 -1.754 1
1 264 . 4 1 1 A 23 23 LEU CA C 23 53.440 52.067 1.373 1
1 265 . 4 1 1 A 23 23 LEU CB C 23 41.700 42.938 -1.238 1
1 269 . 4 1 1 A 23 23 LEU N N 23 119.130 119.044 0.086 1
1 270 . 4 1 1 A 24 24 PRO HA H 24 4.570 nan 4.570 1
1 277 . 4 1 1 A 24 24 PRO C C 24 177.830 177.768 0.062 1
1 278 . 4 1 1 A 24 24 PRO CA C 24 62.240 63.591 -1.351 1
1 279 . 4 1 1 A 24 24 PRO CB C 24 32.310 32.553 -0.243 1
1 282 . 4 1 1 A 25 25 GLU H H 25 8.910 8.057 0.853 1
1 283 . 4 1 1 A 25 25 GLU HA H 25 3.900 nan 3.900 1
1 288 . 4 1 1 A 25 25 GLU C C 25 178.140 176.006 2.134 1
1 289 . 4 1 1 A 25 25 GLU CA C 25 59.890 58.525 1.365 1
1 290 . 4 1 1 A 25 25 GLU CB C 25 29.370 27.428 1.942 1
1 292 . 4 1 1 A 25 25 GLU N N 25 122.500 114.230 8.270 1
1 293 . 4 1 1 A 26 26 ASP H H 26 9.000 8.213 0.787 1
1 294 . 4 1 1 A 26 26 ASP HA H 26 4.410 nan 4.410 1
1 297 . 4 1 1 A 26 26 ASP C C 26 178.610 178.317 0.293 1
1 298 . 4 1 1 A 26 26 ASP CA C 26 56.370 57.153 -0.783 1
1 299 . 4 1 1 A 26 26 ASP CB C 26 39.350 41.450 -2.100 1
1 300 . 4 1 1 A 26 26 ASP N N 26 116.310 119.982 -3.672 1
1 301 . 4 1 1 A 27 27 LEU H H 27 7.440 7.940 -0.500 1
1 302 . 4 1 1 A 27 27 LEU HA H 27 4.400 nan 4.400 1
1 312 . 4 1 1 A 27 27 LEU C C 27 178.480 177.920 0.560 1
1 313 . 4 1 1 A 27 27 LEU CA C 27 56.370 56.083 0.287 1
1 314 . 4 1 1 A 27 27 LEU CB C 27 41.210 41.102 0.108 1
1 318 . 4 1 1 A 27 27 LEU N N 27 120.250 117.964 2.286 1
1 319 . 4 1 1 A 28 28 ILE H H 28 8.040 7.443 0.597 1
1 320 . 4 1 1 A 28 28 ILE HA H 28 3.430 nan 3.430 1
1 330 . 4 1 1 A 28 28 ILE C C 28 177.705 178.295 -0.590 1
1 331 . 4 1 1 A 28 28 ILE CA C 28 66.350 65.690 0.660 1
1 332 . 4 1 1 A 28 28 ILE CB C 28 37.000 37.942 -0.942 1
1 336 . 4 1 1 A 28 28 ILE N N 28 121.930 119.684 2.246 1
1 337 . 4 1 1 A 29 29 LYS H H 29 7.830 7.965 -0.135 1
1 338 . 4 1 1 A 29 29 LYS HA H 29 3.940 nan 3.940 1
1 344 . 4 1 1 A 29 29 LYS C C 29 179.200 179.306 -0.106 1
1 345 . 4 1 1 A 29 29 LYS CA C 29 59.890 59.242 0.648 1
1 346 . 4 1 1 A 29 29 LYS CB C 29 31.700 31.972 -0.272 1
1 350 . 4 1 1 A 29 29 LYS N N 29 116.880 119.642 -2.762 1
1 351 . 4 1 1 A 30 30 MET H H 30 7.290 7.940 -0.650 1
1 352 . 4 1 1 A 30 30 MET HA H 30 4.268 nan 4.268 1
1 360 . 4 1 1 A 30 30 MET C C 30 177.710 178.028 -0.318 1
1 361 . 4 1 1 A 30 30 MET CA C 30 58.130 58.011 0.119 1
1 362 . 4 1 1 A 30 30 MET CB C 30 33.480 32.481 0.999 1
1 365 . 4 1 1 A 30 30 MET N N 30 116.880 119.217 -2.337 1
1 366 . 4 1 1 A 31 31 ALA H H 31 8.410 8.268 0.142 1
1 367 . 4 1 1 A 31 31 ALA HA H 31 4.180 nan 4.180 1
1 371 . 4 1 1 A 31 31 ALA C C 31 180.650 179.731 0.919 1
1 372 . 4 1 1 A 31 31 ALA CA C 31 54.020 55.533 -1.513 1
1 373 . 4 1 1 A 31 31 ALA CB C 31 19.980 18.013 1.967 1
1 374 . 4 1 1 A 31 31 ALA N N 31 120.250 121.465 -1.215 1
1 375 . 4 1 1 A 32 32 ARG H H 32 8.000 7.735 0.265 1
1 376 . 4 1 1 A 32 32 ARG HA H 32 4.130 nan 4.130 1
1 382 . 4 1 1 A 32 32 ARG C C 32 176.805 176.904 -0.099 1
1 383 . 4 1 1 A 32 32 ARG CA C 32 60.480 57.984 2.496 1
1 384 . 4 1 1 A 32 32 ARG CB C 32 30.540 29.101 1.439 1
1 387 . 4 1 1 A 32 32 ARG N N 32 118.540 116.838 1.702 1
1 388 . 4 1 1 A 33 33 ASP H H 33 7.980 7.888 0.092 1
1 389 . 4 1 1 A 33 33 ASP HA H 33 4.970 nan 4.970 1
1 392 . 4 1 1 A 33 33 ASP C C 33 175.990 178.541 -2.551 1
1 393 . 4 1 1 A 33 33 ASP CA C 33 54.000 55.187 -1.187 1
1 394 . 4 1 1 A 33 33 ASP CB C 33 41.700 41.291 0.409 1
1 395 . 4 1 1 A 33 33 ASP N N 33 116.310 119.108 -2.798 1
1 396 . 4 1 1 A 34 34 ILE H H 34 7.550 7.399 0.151 1
1 397 . 4 1 1 A 34 34 ILE HA H 34 4.150 nan 4.150 1
1 407 . 4 1 1 A 34 34 ILE C C 34 175.797 176.492 -0.695 1
1 408 . 4 1 1 A 34 34 ILE CA C 34 61.070 65.161 -4.091 1
1 409 . 4 1 1 A 34 34 ILE CB C 34 38.180 37.710 0.470 1
1 413 . 4 1 1 A 34 34 ILE N N 34 120.870 119.844 1.026 1
1 414 . 4 1 1 A 35 35 LYS H H 35 8.990 8.086 0.904 1
1 415 . 4 1 1 A 35 35 LYS HA H 35 4.730 nan 4.730 1
1 423 . 4 1 1 A 35 35 LYS C C 35 173.200 176.276 -3.076 1
1 424 . 4 1 1 A 35 35 LYS CA C 35 52.840 57.116 -4.276 1
1 425 . 4 1 1 A 35 35 LYS CB C 35 32.890 30.105 2.785 1
1 429 . 4 1 1 A 35 35 LYS N N 35 129.810 120.947 8.863 1
1 430 . 4 1 1 A 36 36 PRO HA H 36 4.730 nan 4.730 1
1 436 . 4 1 1 A 36 36 PRO C C 36 173.900 176.590 -2.690 1
1 437 . 4 1 1 A 36 36 PRO CA C 36 62.800 62.310 0.490 1
1 438 . 4 1 1 A 36 36 PRO CB C 36 32.310 32.887 -0.577 1
1 441 . 4 1 1 A 37 37 ILE H H 37 8.400 8.436 -0.036 1
1 442 . 4 1 1 A 37 37 ILE HA H 37 5.090 nan 5.090 1
1 452 . 4 1 1 A 37 37 ILE C C 37 175.257 174.871 0.386 1
1 453 . 4 1 1 A 37 37 ILE CA C 37 62.670 58.972 3.698 1
1 454 . 4 1 1 A 37 37 ILE CB C 37 40.520 39.967 0.553 1
1 458 . 4 1 1 A 37 37 ILE N N 37 121.380 116.731 4.649 1
1 459 . 4 1 1 A 38 38 VAL H H 38 9.550 9.566 -0.016 1
1 460 . 4 1 1 A 38 38 VAL HA H 38 5.180 nan 5.180 1
1 465 . 4 1 1 A 38 38 VAL C C 38 174.875 175.041 -0.166 1
1 466 . 4 1 1 A 38 38 VAL CA C 38 61.060 61.763 -0.703 1
1 467 . 4 1 1 A 38 38 VAL CB C 38 34.650 31.478 3.172 1
1 469 . 4 1 1 A 38 38 VAL N N 38 128.690 124.038 4.652 1
1 470 . 4 1 1 A 39 39 GLU H H 39 9.710 9.011 0.699 1
1 471 . 4 1 1 A 39 39 GLU HA H 39 5.510 nan 5.510 1
1 476 . 4 1 1 A 39 39 GLU C C 39 175.930 175.453 0.477 1
1 477 . 4 1 1 A 39 39 GLU CA C 39 54.020 55.732 -1.712 1
1 478 . 4 1 1 A 39 39 GLU CB C 39 31.700 30.294 1.406 1
1 480 . 4 1 1 A 39 39 GLU N N 39 128.130 126.325 1.805 1
1 481 . 4 1 1 A 40 40 ILE H H 40 9.760 9.151 0.609 1
1 482 . 4 1 1 A 40 40 ILE HA H 40 5.130 nan 5.130 1
1 492 . 4 1 1 A 40 40 ILE C C 40 175.960 174.706 1.254 1
1 493 . 4 1 1 A 40 40 ILE CA C 40 61.650 60.220 1.430 1
1 494 . 4 1 1 A 40 40 ILE CB C 40 40.520 38.999 1.521 1
1 498 . 4 1 1 A 40 40 ILE N N 40 126.430 126.756 -0.326 1
1 499 . 4 1 1 A 41 41 GLN H H 41 9.380 9.466 -0.086 1
1 500 . 4 1 1 A 41 41 GLN HA H 41 4.740 nan 4.740 1
1 506 . 4 1 1 A 41 41 GLN C C 41 173.420 173.109 0.311 1
1 507 . 4 1 1 A 41 41 GLN CA C 41 54.590 54.024 0.566 1
1 508 . 4 1 1 A 41 41 GLN CB C 41 31.130 32.453 -1.323 1
1 510 . 4 1 1 A 41 41 GLN N N 41 128.130 128.675 -0.545 1
1 512 . 4 1 1 A 42 42 GLN H H 42 8.310 8.597 -0.287 1
1 513 . 4 1 1 A 42 42 GLN HA H 42 4.440 nan 4.440 1
1 520 . 4 1 1 A 42 42 GLN C C 42 174.500 176.021 -1.521 1
1 521 . 4 1 1 A 42 42 GLN CA C 42 54.020 53.930 0.090 1
1 522 . 4 1 1 A 42 42 GLN CB C 42 29.960 31.378 -1.418 1
1 524 . 4 1 1 A 42 42 GLN N N 42 125.880 125.685 0.195 1
1 526 . 4 1 1 A 43 43 LYS H H 43 8.290 8.480 -0.190 1
1 527 . 4 1 1 A 43 43 LYS HA H 43 4.420 nan 4.420 1
1 533 . 4 1 1 A 43 43 LYS C C 43 175.990 177.577 -1.587 1
1 534 . 4 1 1 A 43 43 LYS CA C 43 54.020 55.169 -1.149 1
1 535 . 4 1 1 A 43 43 LYS CB C 43 32.890 32.084 0.806 1
1 539 . 4 1 1 A 43 43 LYS N N 43 129.810 123.554 6.256 1
1 540 . 4 1 1 A 44 44 GLY H H 44 9.040 8.008 1.032 1
1 541 . 4 1 1 A 44 44 GLY HA2 H 44 3.660 4.036 -0.376 1
1 542 . 4 1 1 A 44 44 GLY HA3 H 44 4.020 4.036 -0.016 1
1 543 . 4 1 1 A 44 44 GLY C C 44 173.790 174.456 -0.666 1
1 544 . 4 1 1 A 44 44 GLY CA C 44 47.570 46.287 1.283 1
1 545 . 4 1 1 A 44 44 GLY N N 44 116.880 109.681 7.199 1
1 546 . 4 1 1 A 45 45 ASP H H 45 8.920 8.642 0.278 1
1 547 . 4 1 1 A 45 45 ASP HA H 45 4.920 nan 4.920 1
1 550 . 4 1 1 A 45 45 ASP C C 45 174.220 175.913 -1.693 1
1 551 . 4 1 1 A 45 45 ASP CA C 45 54.000 55.297 -1.297 1
1 552 . 4 1 1 A 45 45 ASP CB C 45 38.420 42.016 -3.596 1
1 553 . 4 1 1 A 45 45 ASP N N 45 127.530 123.427 4.103 1
1 554 . 4 1 1 A 46 46 ASP H H 46 8.090 7.873 0.217 1
1 555 . 4 1 1 A 46 46 ASP HA H 46 5.290 nan 5.290 1
1 558 . 4 1 1 A 46 46 ASP C C 46 174.779 175.429 -0.650 1
1 559 . 4 1 1 A 46 46 ASP CA C 46 54.020 53.122 0.898 1
1 560 . 4 1 1 A 46 46 ASP CB C 46 41.100 42.697 -1.597 1
1 561 . 4 1 1 A 46 46 ASP N N 46 120.250 118.825 1.425 1
1 562 . 4 1 1 A 47 47 PHE H H 47 9.360 8.937 0.423 1
1 563 . 4 1 1 A 47 47 PHE HA H 47 5.050 nan 5.050 1
1 568 . 4 1 1 A 47 47 PHE C C 47 176.260 174.210 2.050 1
1 569 . 4 1 1 A 47 47 PHE CA C 47 56.370 56.599 -0.229 1
1 570 . 4 1 1 A 47 47 PHE CB C 47 42.870 39.762 3.108 1
1 573 . 4 1 1 A 47 47 PHE N N 47 122.500 120.562 1.938 1
1 574 . 4 1 1 A 48 48 VAL H H 48 8.580 9.330 -0.750 1
1 575 . 4 1 1 A 48 48 VAL HA H 48 5.140 nan 5.140 1
1 583 . 4 1 1 A 48 48 VAL C C 48 175.370 175.309 0.061 1
1 584 . 4 1 1 A 48 48 VAL CA C 48 62.200 61.907 0.293 1
1 585 . 4 1 1 A 48 48 VAL CB C 48 33.200 32.718 0.482 1
1 588 . 4 1 1 A 48 48 VAL N N 48 121.930 123.233 -1.303 1
1 589 . 4 1 1 A 49 49 VAL H H 49 9.440 9.304 0.136 1
1 590 . 4 1 1 A 49 49 VAL HA H 49 5.140 nan 5.140 1
1 598 . 4 1 1 A 49 49 VAL C C 49 175.840 174.770 1.070 1
1 599 . 4 1 1 A 49 49 VAL CA C 49 61.040 60.649 0.391 1
1 600 . 4 1 1 A 49 49 VAL CB C 49 33.660 34.648 -0.988 1
1 603 . 4 1 1 A 49 49 VAL N N 49 128.130 127.887 0.243 1
1 604 . 4 1 1 A 50 50 THR H H 50 9.810 8.872 0.938 1
1 605 . 4 1 1 A 50 50 THR HA H 50 5.530 nan 5.530 1
1 610 . 4 1 1 A 50 50 THR C C 50 173.450 173.588 -0.138 1
1 611 . 4 1 1 A 50 50 THR CA C 50 61.070 61.644 -0.574 1
1 612 . 4 1 1 A 50 50 THR CB C 50 70.460 70.494 -0.034 1
1 614 . 4 1 1 A 50 50 THR N N 50 128.130 125.103 3.027 1
1 615 . 4 1 1 A 51 51 SER H H 51 9.380 9.162 0.218 1
1 616 . 4 1 1 A 51 51 SER HA H 51 5.380 nan 5.380 1
1 618 . 4 1 1 A 51 51 SER C C 51 173.450 172.505 0.945 1
1 619 . 4 1 1 A 51 51 SER CA C 51 56.960 57.847 -0.887 1
1 620 . 4 1 1 A 51 51 SER CB C 51 64.590 65.036 -0.446 1
1 621 . 4 1 1 A 51 51 SER N N 51 123.630 124.289 -0.659 1
1 622 . 4 1 1 A 52 52 LYS H H 52 9.610 9.125 0.485 1
1 623 . 4 1 1 A 52 52 LYS HA H 52 5.270 nan 5.270 1
1 630 . 4 1 1 A 52 52 LYS C C 52 175.850 175.498 0.352 1
1 631 . 4 1 1 A 52 52 LYS CA C 52 56.370 54.981 1.389 1
1 632 . 4 1 1 A 52 52 LYS CB C 52 33.140 34.560 -1.420 1
1 636 . 4 1 1 A 52 52 LYS N N 52 125.220 127.777 -2.557 1
1 637 . 4 1 1 A 53 53 THR H H 53 8.630 8.507 0.123 1
1 638 . 4 1 1 A 53 53 THR HA H 53 5.040 nan 5.040 1
1 643 . 4 1 1 A 53 53 THR C C 53 172.990 172.790 0.200 1
1 644 . 4 1 1 A 53 53 THR CA C 53 59.290 58.728 0.562 1
1 645 . 4 1 1 A 53 53 THR CB C 53 69.290 71.059 -1.769 1
1 647 . 4 1 1 A 53 53 THR N N 53 115.190 115.082 0.108 1
1 648 . 4 1 1 A 54 54 PRO HA H 54 4.390 nan 4.390 1
1 655 . 4 1 1 A 54 54 PRO C C 54 177.230 176.530 0.700 1
1 656 . 4 1 1 A 54 54 PRO CA C 54 65.760 62.794 2.966 1
1 657 . 4 1 1 A 54 54 PRO CB C 54 31.720 29.523 2.197 1
1 660 . 4 1 1 A 55 55 ARG H H 55 7.960 8.729 -0.769 1
1 661 . 4 1 1 A 55 55 ARG HA H 55 4.540 nan 4.540 1
1 668 . 4 1 1 A 55 55 ARG C C 55 175.430 175.392 0.038 1
1 669 . 4 1 1 A 55 55 ARG CA C 55 55.190 57.216 -2.026 1
1 670 . 4 1 1 A 55 55 ARG CB C 55 31.720 33.188 -1.468 1
1 673 . 4 1 1 A 55 55 ARG N N 55 111.250 119.956 -8.706 1
1 674 . 4 1 1 A 56 56 GLN H H 56 7.510 8.016 -0.506 1
1 675 . 4 1 1 A 56 56 GLN HA H 56 4.930 nan 4.930 1
1 682 . 4 1 1 A 56 56 GLN C C 56 173.670 173.217 0.453 1
1 683 . 4 1 1 A 56 56 GLN CA C 56 58.390 54.749 3.641 1
1 684 . 4 1 1 A 56 56 GLN CB C 56 31.720 31.727 -0.007 1
1 686 . 4 1 1 A 56 56 GLN N N 56 118.000 114.467 3.533 1
1 688 . 4 1 1 A 57 57 THR H H 57 8.630 8.432 0.198 1
1 689 . 4 1 1 A 57 57 THR HA H 57 5.530 nan 5.530 1
1 694 . 4 1 1 A 57 57 THR C C 57 173.300 173.227 0.073 1
1 695 . 4 1 1 A 57 57 THR CA C 57 64.450 61.142 3.308 1
1 696 . 4 1 1 A 57 57 THR CB C 57 71.630 71.958 -0.328 1
1 698 . 4 1 1 A 57 57 THR N N 57 121.380 113.892 7.488 1
1 699 . 4 1 1 A 58 58 VAL H H 58 8.920 8.207 0.713 1
1 700 . 4 1 1 A 58 58 VAL HA H 58 5.100 nan 5.100 1
1 705 . 4 1 1 A 58 58 VAL C C 58 173.800 173.241 0.559 1
1 706 . 4 1 1 A 58 58 VAL CA C 58 54.600 60.332 -5.732 1
1 707 . 4 1 1 A 58 58 VAL CB C 58 34.660 34.932 -0.272 1
1 709 . 4 1 1 A 58 58 VAL N N 58 125.320 121.388 3.932 1
1 710 . 4 1 1 A 59 59 THR H H 59 8.830 8.792 0.038 1
1 711 . 4 1 1 A 59 59 THR HA H 59 5.320 nan 5.320 1
1 716 . 4 1 1 A 59 59 THR C C 59 172.980 173.618 -0.638 1
1 717 . 4 1 1 A 59 59 THR CA C 59 61.650 61.233 0.417 1
1 718 . 4 1 1 A 59 59 THR CB C 59 71.040 71.928 -0.888 1
1 720 . 4 1 1 A 59 59 THR N N 59 124.190 121.235 2.955 1
1 721 . 4 1 1 A 60 60 ASN H H 60 9.340 9.168 0.172 1
1 722 . 4 1 1 A 60 60 ASN HA H 60 5.400 nan 5.400 1
1 727 . 4 1 1 A 60 60 ASN C C 60 172.850 174.742 -1.892 1
1 728 . 4 1 1 A 60 60 ASN CA C 60 52.260 52.060 0.200 1
1 729 . 4 1 1 A 60 60 ASN CB C 60 43.460 42.439 1.021 1
1 730 . 4 1 1 A 60 60 ASN N N 60 124.730 123.477 1.253 1
1 732 . 4 1 1 A 61 61 SER H H 61 8.890 9.024 -0.134 1
1 733 . 4 1 1 A 61 61 SER HA H 61 5.490 nan 5.490 1
1 735 . 4 1 1 A 61 61 SER C C 61 172.560 173.425 -0.865 1
1 736 . 4 1 1 A 61 61 SER CA C 61 56.370 57.636 -1.266 1
1 737 . 4 1 1 A 61 61 SER CB C 61 65.600 65.142 0.458 1
1 738 . 4 1 1 A 61 61 SER N N 61 115.130 119.283 -4.153 1
1 739 . 4 1 1 A 62 62 PHE H H 62 8.330 8.438 -0.108 1
1 740 . 4 1 1 A 62 62 PHE HA H 62 5.060 nan 5.060 1
1 745 . 4 1 1 A 62 62 PHE C C 62 172.600 174.362 -1.762 1
1 746 . 4 1 1 A 62 62 PHE CA C 62 56.370 55.582 0.788 1
1 747 . 4 1 1 A 62 62 PHE CB C 62 40.520 41.717 -1.197 1
1 750 . 4 1 1 A 62 62 PHE N N 62 117.430 122.375 -4.945 1
1 751 . 4 1 1 A 63 63 THR H H 63 9.710 8.927 0.783 1
1 752 . 4 1 1 A 63 63 THR HA H 63 5.550 nan 5.550 1
1 757 . 4 1 1 A 63 63 THR C C 63 175.450 174.592 0.858 1
1 758 . 4 1 1 A 63 63 THR CA C 63 61.060 62.401 -1.341 1
1 759 . 4 1 1 A 63 63 THR CB C 63 71.630 69.325 2.305 1
1 761 . 4 1 1 A 63 63 THR N N 63 119.630 118.837 0.793 1
1 762 . 4 1 1 A 64 64 LEU H H 64 9.250 8.539 0.711 1
1 763 . 4 1 1 A 64 64 LEU HA H 64 4.410 nan 4.410 1
1 773 . 4 1 1 A 64 64 LEU C C 64 178.310 177.715 0.595 1
1 774 . 4 1 1 A 64 64 LEU CA C 64 56.370 56.906 -0.536 1
1 775 . 4 1 1 A 64 64 LEU CB C 64 41.700 41.257 0.443 1
1 779 . 4 1 1 A 64 64 LEU N N 64 126.430 128.574 -2.144 1
1 780 . 4 1 1 A 65 65 GLY H H 65 9.121 8.950 0.171 1
1 781 . 4 1 1 A 65 65 GLY HA2 H 65 4.280 4.073 0.207 1
1 782 . 4 1 1 A 65 65 GLY HA3 H 65 3.240 4.073 -0.833 1
1 783 . 4 1 1 A 65 65 GLY C C 65 173.200 173.459 -0.259 1
1 784 . 4 1 1 A 65 65 GLY CA C 65 45.800 44.745 1.055 1
1 785 . 4 1 1 A 65 65 GLY N N 65 107.310 112.556 -5.246 1
1 786 . 4 1 1 A 66 66 LYS H H 66 7.990 7.720 0.270 1
1 787 . 4 1 1 A 66 66 LYS HA H 66 4.790 nan 4.790 1
1 793 . 4 1 1 A 66 66 LYS C C 66 175.500 175.170 0.330 1
1 794 . 4 1 1 A 66 66 LYS CA C 66 54.000 54.237 -0.237 1
1 795 . 4 1 1 A 66 66 LYS CB C 66 34.660 35.617 -0.957 1
1 799 . 4 1 1 A 66 66 LYS N N 66 120.820 119.722 1.098 1
1 800 . 4 1 1 A 67 67 GLU H H 67 8.880 8.586 0.294 1
1 801 . 4 1 1 A 67 67 GLU HA H 67 4.290 nan 4.290 1
1 805 . 4 1 1 A 67 67 GLU C C 67 174.820 175.880 -1.060 1
1 806 . 4 1 1 A 67 67 GLU CA C 67 58.720 56.929 1.791 1
1 807 . 4 1 1 A 67 67 GLU CB C 67 29.960 30.338 -0.378 1
1 808 . 4 1 1 A 67 67 GLU N N 67 129.250 121.436 7.814 1
1 809 . 4 1 1 A 68 68 ALA H H 68 9.430 8.580 0.850 1
1 810 . 4 1 1 A 68 68 ALA HA H 68 4.920 nan 4.920 1
1 814 . 4 1 1 A 68 68 ALA C C 68 175.630 174.982 0.648 1
1 815 . 4 1 1 A 68 68 ALA CA C 68 50.490 50.054 0.436 1
1 816 . 4 1 1 A 68 68 ALA CB C 68 22.910 23.018 -0.108 1
1 817 . 4 1 1 A 68 68 ALA N N 68 130.330 128.421 1.909 1
1 818 . 4 1 1 A 69 69 ASP H H 69 8.380 8.881 -0.501 1
1 819 . 4 1 1 A 69 69 ASP HA H 69 5.210 nan 5.210 1
1 821 . 4 1 1 A 69 69 ASP C C 69 175.100 175.157 -0.057 1
1 822 . 4 1 1 A 69 69 ASP CA C 69 53.440 52.795 0.645 1
1 823 . 4 1 1 A 69 69 ASP CB C 69 41.700 42.111 -0.411 1
1 824 . 4 1 1 A 69 69 ASP N N 69 119.630 120.323 -0.693 1
1 825 . 4 1 1 A 70 70 ILE H H 70 9.120 9.752 -0.632 1
1 826 . 4 1 1 A 70 70 ILE HA H 70 4.540 nan 4.540 1
1 836 . 4 1 1 A 70 70 ILE C C 70 175.390 175.415 -0.025 1
1 837 . 4 1 1 A 70 70 ILE CA C 70 56.960 60.294 -3.334 1
1 838 . 4 1 1 A 70 70 ILE CB C 70 38.760 39.863 -1.103 1
1 842 . 4 1 1 A 70 70 ILE N N 70 126.430 125.466 0.964 1
1 843 . 4 1 1 A 71 71 THR H H 71 9.460 9.658 -0.198 1
1 844 . 4 1 1 A 71 71 THR HA H 71 5.310 nan 5.310 1
1 849 . 4 1 1 A 71 71 THR C C 71 174.985 174.405 0.580 1
1 850 . 4 1 1 A 71 71 THR CA C 71 61.650 61.979 -0.329 1
1 851 . 4 1 1 A 71 71 THR CB C 71 69.870 70.218 -0.348 1
1 853 . 4 1 1 A 71 71 THR N N 71 123.630 124.340 -0.710 1
1 854 . 4 1 1 A 72 72 THR H H 72 9.090 8.627 0.463 1
1 855 . 4 1 1 A 72 72 THR HA H 72 4.350 nan 4.350 1
1 860 . 4 1 1 A 72 72 THR C C 72 177.400 175.821 1.579 1
1 861 . 4 1 1 A 72 72 THR CA C 72 61.460 61.016 0.444 1
1 862 . 4 1 1 A 72 72 THR CB C 72 69.870 71.024 -1.154 1
1 864 . 4 1 1 A 72 72 THR N N 72 116.880 120.705 -3.825 1
1 865 . 4 1 1 A 73 73 MET HA H 73 4.140 nan 4.140 1
1 873 . 4 1 1 A 73 73 MET C C 73 176.100 176.561 -0.461 1
1 874 . 4 1 1 A 73 73 MET CA C 73 58.700 57.572 1.128 1
1 875 . 4 1 1 A 73 73 MET CB C 73 33.480 32.267 1.213 1
1 877 . 4 1 1 A 74 74 ASP H H 74 8.590 7.977 0.613 1
1 878 . 4 1 1 A 74 74 ASP HA H 74 4.637 nan 4.637 1
1 881 . 4 1 1 A 74 74 ASP C C 74 175.130 176.469 -1.339 1
1 882 . 4 1 1 A 74 74 ASP CA C 74 52.850 53.529 -0.679 1
1 883 . 4 1 1 A 74 74 ASP CB C 74 39.350 40.883 -1.533 1
1 884 . 4 1 1 A 74 74 ASP N N 74 112.930 116.505 -3.575 1
1 885 . 4 1 1 A 75 75 GLY H H 75 7.980 8.032 -0.052 1
1 886 . 4 1 1 A 75 75 GLY HA2 H 75 3.660 4.007 -0.347 1
1 887 . 4 1 1 A 75 75 GLY HA3 H 75 4.160 4.007 0.153 1
1 888 . 4 1 1 A 75 75 GLY C C 75 174.725 174.205 0.520 1
1 889 . 4 1 1 A 75 75 GLY CA C 75 45.800 45.148 0.652 1
1 890 . 4 1 1 A 75 75 GLY N N 75 107.880 108.610 -0.730 1
1 891 . 4 1 1 A 76 76 LYS H H 76 7.850 7.909 -0.059 1
1 892 . 4 1 1 A 76 76 LYS HA H 76 4.396 nan 4.396 1
1 898 . 4 1 1 A 76 76 LYS C C 76 174.820 175.748 -0.928 1
1 899 . 4 1 1 A 76 76 LYS CA C 76 55.780 55.549 0.231 1
1 900 . 4 1 1 A 76 76 LYS CB C 76 32.890 33.316 -0.426 1
1 904 . 4 1 1 A 76 76 LYS N N 76 121.380 120.049 1.331 1
1 905 . 4 1 1 A 77 77 LYS H H 77 8.210 8.505 -0.295 1
1 906 . 4 1 1 A 77 77 LYS HA H 77 5.410 nan 5.410 1
1 912 . 4 1 1 A 77 77 LYS C C 77 176.200 175.628 0.572 1
1 913 . 4 1 1 A 77 77 LYS CA C 77 54.600 55.075 -0.475 1
1 914 . 4 1 1 A 77 77 LYS CB C 77 34.060 34.727 -0.667 1
1 918 . 4 1 1 A 77 77 LYS N N 77 119.130 122.334 -3.204 1
1 919 . 4 1 1 A 78 78 LEU H H 78 9.310 9.146 0.164 1
1 920 . 4 1 1 A 78 78 LEU HA H 78 4.790 nan 4.790 1
1 929 . 4 1 1 A 78 78 LEU C C 78 175.100 174.538 0.562 1
1 930 . 4 1 1 A 78 78 LEU CA C 78 54.000 53.292 0.708 1
1 931 . 4 1 1 A 78 78 LEU CB C 78 44.630 46.530 -1.900 1
1 935 . 4 1 1 A 78 78 LEU N N 78 123.630 123.351 0.279 1
1 936 . 4 1 1 A 79 79 LYS H H 79 8.430 8.538 -0.108 1
1 937 . 4 1 1 A 79 79 LYS HA H 79 5.530 nan 5.530 1
1 942 . 4 1 1 A 79 79 LYS CA C 79 54.020 54.576 -0.556 1
1 943 . 4 1 1 A 79 79 LYS CB C 79 32.890 35.456 -2.566 1
1 947 . 4 1 1 A 79 79 LYS N N 79 121.930 121.529 0.401 1
1 948 . 4 1 1 A 80 80 CYS H H 80 8.910 8.802 0.108 1
1 949 . 4 1 1 A 80 80 CYS HA H 80 4.990 nan 4.990 1
1 952 . 4 1 1 A 80 80 CYS C C 80 175.870 172.892 2.978 1
1 953 . 4 1 1 A 80 80 CYS CA C 80 56.940 57.338 -0.398 1
1 954 . 4 1 1 A 80 80 CYS CB C 80 31.130 31.413 -0.283 1
1 955 . 4 1 1 A 80 80 CYS N N 80 117.930 118.108 -0.178 1
1 956 . 4 1 1 A 81 81 THR H H 81 8.620 8.731 -0.111 1
1 957 . 4 1 1 A 81 81 THR HA H 81 5.210 nan 5.210 1
1 962 . 4 1 1 A 81 81 THR C C 81 172.330 173.684 -1.354 1
1 963 . 4 1 1 A 81 81 THR CA C 81 61.070 61.913 -0.843 1
1 964 . 4 1 1 A 81 81 THR CB C 81 69.870 68.865 1.005 1
1 966 . 4 1 1 A 81 81 THR N N 81 116.330 118.432 -2.102 1
1 967 . 4 1 1 A 82 82 VAL H H 82 9.510 8.960 0.550 1
1 968 . 4 1 1 A 82 82 VAL HA H 82 4.313 nan 4.313 1
1 976 . 4 1 1 A 82 82 VAL C C 82 175.200 175.042 0.158 1
1 977 . 4 1 1 A 82 82 VAL CA C 82 61.060 61.930 -0.870 1
1 978 . 4 1 1 A 82 82 VAL CB C 82 32.300 32.422 -0.122 1
1 981 . 4 1 1 A 82 82 VAL N N 82 132.030 127.849 4.181 1
1 982 . 4 1 1 A 83 83 HIS H H 83 8.802 8.919 -0.117 1
1 983 . 4 1 1 A 83 83 HIS HA H 83 4.973 nan 4.973 1
1 987 . 4 1 1 A 83 83 HIS C C 83 173.400 173.561 -0.161 1
1 988 . 4 1 1 A 83 83 HIS CA C 83 55.020 54.051 0.969 1
1 989 . 4 1 1 A 83 83 HIS CB C 83 34.000 33.060 0.940 1
1 991 . 4 1 1 A 83 83 HIS N N 83 124.190 126.650 -2.460 1
1 992 . 4 1 1 A 84 84 LEU H H 84 8.833 8.711 0.122 1
1 993 . 4 1 1 A 84 84 LEU HA H 84 5.355 nan 5.355 1
1 1003 . 4 1 1 A 84 84 LEU C C 84 176.400 174.998 1.402 1
1 1004 . 4 1 1 A 84 84 LEU CA C 84 53.710 54.075 -0.365 1
1 1005 . 4 1 1 A 84 84 LEU CB C 84 44.050 43.345 0.705 1
1 1009 . 4 1 1 A 84 84 LEU N N 84 122.500 127.861 -5.361 1
1 1010 . 4 1 1 A 85 85 ALA H H 85 9.406 8.993 0.413 1
1 1011 . 4 1 1 A 85 85 ALA HA H 85 4.760 nan 4.760 1
1 1015 . 4 1 1 A 85 85 ALA C C 85 176.900 177.400 -0.500 1
1 1016 . 4 1 1 A 85 85 ALA CA C 85 51.080 50.622 0.458 1
1 1017 . 4 1 1 A 85 85 ALA CB C 85 20.460 20.511 -0.051 1
1 1018 . 4 1 1 A 85 85 ALA N N 85 130.380 129.948 0.432 1
1 1019 . 4 1 1 A 86 86 ASN HA H 86 4.450 nan 4.450 1
1 1024 . 4 1 1 A 86 86 ASN C C 86 175.200 174.326 0.874 1
1 1025 . 4 1 1 A 86 86 ASN CA C 86 54.020 54.122 -0.102 1
1 1026 . 4 1 1 A 86 86 ASN CB C 86 34.790 37.761 -2.971 1
1 1028 . 4 1 1 A 87 87 GLY H H 87 8.600 8.350 0.250 1
1 1029 . 4 1 1 A 87 87 GLY HA2 H 87 3.757 3.918 -0.161 1
1 1030 . 4 1 1 A 87 87 GLY HA3 H 87 4.326 3.918 0.408 1
1 1031 . 4 1 1 A 87 87 GLY C C 87 172.970 173.573 -0.603 1
1 1032 . 4 1 1 A 87 87 GLY CA C 87 45.800 45.099 0.701 1
1 1033 . 4 1 1 A 87 87 GLY N N 87 102.830 104.663 -1.833 1
1 1034 . 4 1 1 A 88 88 LYS H H 88 7.927 7.626 0.301 1
1 1035 . 4 1 1 A 88 88 LYS HA H 88 5.108 nan 5.108 1
1 1041 . 4 1 1 A 88 88 LYS C C 88 175.280 175.522 -0.242 1
1 1042 . 4 1 1 A 88 88 LYS CA C 88 54.590 55.769 -1.179 1
1 1043 . 4 1 1 A 88 88 LYS CB C 88 34.660 33.218 1.442 1
1 1047 . 4 1 1 A 88 88 LYS N N 88 120.230 120.312 -0.082 1
1 1048 . 4 1 1 A 89 89 LEU H H 89 8.610 8.832 -0.222 1
1 1049 . 4 1 1 A 89 89 LEU HA H 89 5.200 nan 5.200 1
1 1058 . 4 1 1 A 89 89 LEU C C 89 175.400 176.029 -0.629 1
1 1059 . 4 1 1 A 89 89 LEU CA C 89 54.000 53.437 0.563 1
1 1060 . 4 1 1 A 89 89 LEU CB C 89 41.700 41.385 0.315 1
1 1064 . 4 1 1 A 89 89 LEU N N 89 122.430 124.539 -2.109 1
1 1065 . 4 1 1 A 90 90 VAL H H 90 9.470 8.837 0.633 1
1 1066 . 4 1 1 A 90 90 VAL HA H 90 4.558 nan 4.558 1
1 1071 . 4 1 1 A 90 90 VAL C C 90 175.020 175.225 -0.205 1
1 1072 . 4 1 1 A 90 90 VAL CA C 90 61.200 60.654 0.546 1
1 1073 . 4 1 1 A 90 90 VAL CB C 90 32.550 34.165 -1.615 1
1 1075 . 4 1 1 A 90 90 VAL N N 90 122.500 126.167 -3.667 1
1 1076 . 4 1 1 A 91 91 THR H H 91 8.830 8.681 0.149 1
1 1077 . 4 1 1 A 91 91 THR HA H 91 4.760 nan 4.760 1
1 1082 . 4 1 1 A 91 91 THR C C 91 173.200 172.172 1.028 1
1 1083 . 4 1 1 A 91 91 THR CA C 91 62.190 60.967 1.223 1
1 1084 . 4 1 1 A 91 91 THR CB C 91 69.870 70.969 -1.099 1
1 1086 . 4 1 1 A 91 91 THR N N 91 124.190 119.929 4.261 1
1 1087 . 4 1 1 A 92 92 LYS H H 92 9.170 8.702 0.468 1
1 1088 . 4 1 1 A 92 92 LYS HA H 92 4.758 nan 4.758 1
1 1094 . 4 1 1 A 92 92 LYS C C 92 174.440 174.384 0.056 1
1 1095 . 4 1 1 A 92 92 LYS CA C 92 55.180 55.830 -0.650 1
1 1096 . 4 1 1 A 92 92 LYS CB C 92 35.240 36.292 -1.052 1
1 1100 . 4 1 1 A 92 92 LYS N N 92 125.330 128.100 -2.770 1
1 1101 . 4 1 1 A 93 93 SER H H 93 8.320 9.481 -1.161 1
1 1103 . 4 1 1 A 93 93 SER C C 93 173.740 174.859 -1.119 1
1 1104 . 4 1 1 A 93 93 SER CA C 93 55.200 57.263 -2.063 1
1 1105 . 4 1 1 A 93 93 SER CB C 93 62.000 66.278 -4.278 1
1 1106 . 4 1 1 A 93 93 SER N N 93 118.030 121.776 -3.746 1
1 1107 . 4 1 1 A 94 94 GLU H H 94 8.760 8.738 0.022 1
1 1108 . 4 1 1 A 94 94 GLU HA H 94 4.310 nan 4.310 1
1 1109 . 4 1 1 A 94 94 GLU CA C 94 54.100 60.295 -6.195 1
1 1110 . 4 1 1 A 94 94 GLU N N 94 120.810 122.541 -1.731 1
1 1118 . 4 1 1 A 95 95 LYS CB C 95 34.650 32.807 1.843 1
1 1122 . 4 1 1 A 96 96 PHE H H 96 7.140 7.693 -0.553 1
1 1123 . 4 1 1 A 96 96 PHE HA H 96 5.810 nan 5.810 1
1 1128 . 4 1 1 A 96 96 PHE CA C 96 56.350 57.315 -0.965 1
1 1129 . 4 1 1 A 96 96 PHE CB C 96 43.460 42.585 0.875 1
1 1132 . 4 1 1 A 96 96 PHE N N 96 113.530 123.465 -9.935 1
1 1133 . 4 1 1 A 97 97 SER H H 97 8.660 8.288 0.372 1
1 1134 . 4 1 1 A 97 97 SER HA H 97 5.810 nan 5.810 1
1 1137 . 4 1 1 A 97 97 SER CA C 97 57.540 56.540 1.000 1
1 1138 . 4 1 1 A 97 97 SER CB C 97 66.350 66.091 0.259 1
1 1139 . 4 1 1 A 97 97 SER N N 97 111.810 121.716 -9.906 1
1 1140 . 4 1 1 A 98 98 HIS H H 98 9.440 8.057 1.383 1
1 1141 . 4 1 1 A 98 98 HIS HA H 98 5.780 nan 5.780 1
1 1145 . 4 1 1 A 98 98 HIS CA C 98 58.580 55.345 3.235 1
1 1146 . 4 1 1 A 98 98 HIS CB C 98 35.240 33.380 1.860 1
1 1147 . 4 1 1 A 98 98 HIS N N 98 125.830 121.257 4.573 1
1 1148 . 4 1 1 A 99 99 GLU HA H 99 5.410 nan 5.410 1
1 1152 . 4 1 1 A 99 99 GLU CA C 99 54.600 54.392 0.208 1
1 1153 . 4 1 1 A 99 99 GLU CB C 99 34.060 33.981 0.079 1
1 1155 . 4 1 1 A 100 100 GLN H H 100 9.060 8.628 0.432 1
1 1156 . 4 1 1 A 100 100 GLN HA H 100 5.150 nan 5.150 1
1 1161 . 4 1 1 A 100 100 GLN CA C 100 53.000 54.748 -1.748 1
1 1162 . 4 1 1 A 100 100 GLN CB C 100 34.060 32.532 1.528 1
1 1163 . 4 1 1 A 100 100 GLN N N 100 124.730 122.718 2.012 1
1 1164 . 4 1 1 A 101 101 GLU H H 101 9.110 8.573 0.537 1
1 1165 . 4 1 1 A 101 101 GLU HA H 101 5.110 nan 5.110 1
1 1168 . 4 1 1 A 101 101 GLU C C 101 173.630 173.874 -0.244 1
1 1169 . 4 1 1 A 101 101 GLU CA C 101 54.600 55.893 -1.293 1
1 1170 . 4 1 1 A 101 101 GLU CB C 101 33.480 33.843 -0.363 1
1 1171 . 4 1 1 A 101 101 GLU N N 101 126.430 124.458 1.972 1
1 1172 . 4 1 1 A 102 102 VAL H H 102 8.900 8.728 0.172 1
1 1173 . 4 1 1 A 102 102 VAL HA H 102 4.650 nan 4.650 1
1 1181 . 4 1 1 A 102 102 VAL C C 102 175.060 175.012 0.048 1
1 1182 . 4 1 1 A 102 102 VAL CA C 102 61.020 61.037 -0.017 1
1 1183 . 4 1 1 A 102 102 VAL CB C 102 34.060 33.473 0.587 1
1 1186 . 4 1 1 A 102 102 VAL N N 102 125.310 126.455 -1.145 1
1 1187 . 4 1 1 A 103 103 LYS H H 103 9.007 9.403 -0.396 1
1 1188 . 4 1 1 A 103 103 LYS HA H 103 4.660 nan 4.660 1
1 1194 . 4 1 1 A 103 103 LYS C C 103 176.600 176.636 -0.036 1
1 1195 . 4 1 1 A 103 103 LYS CA C 103 55.180 55.531 -0.351 1
1 1196 . 4 1 1 A 103 103 LYS CB C 103 33.480 32.148 1.332 1
1 1200 . 4 1 1 A 103 103 LYS N N 103 129.210 126.132 3.078 1
1 1201 . 4 1 1 A 104 104 GLY H H 104 9.190 8.435 0.755 1
1 1202 . 4 1 1 A 104 104 GLY HA2 H 104 3.760 4.011 -0.251 1
1 1203 . 4 1 1 A 104 104 GLY HA3 H 104 4.080 4.011 0.069 1
1 1204 . 4 1 1 A 104 104 GLY C C 104 174.000 174.236 -0.236 1
1 1205 . 4 1 1 A 104 104 GLY CA C 104 47.380 46.041 1.339 1
1 1206 . 4 1 1 A 104 104 GLY N N 104 117.410 110.101 7.309 1
1 1207 . 4 1 1 A 105 105 ASN H H 105 9.120 8.555 0.565 1
1 1208 . 4 1 1 A 105 105 ASN HA H 105 5.050 nan 5.050 1
1 1213 . 4 1 1 A 105 105 ASN C C 105 173.440 174.956 -1.516 1
1 1214 . 4 1 1 A 105 105 ASN CA C 105 52.830 52.514 0.316 1
1 1215 . 4 1 1 A 105 105 ASN CB C 105 39.350 39.388 -0.038 1
1 1216 . 4 1 1 A 105 105 ASN N N 105 126.410 118.017 8.393 1
1 1217 . 4 1 1 A 106 106 GLU H H 106 8.153 7.907 0.246 1
1 1218 . 4 1 1 A 106 106 GLU HA H 106 5.610 nan 5.610 1
1 1223 . 4 1 1 A 106 106 GLU C C 106 173.490 174.279 -0.789 1
1 1224 . 4 1 1 A 106 106 GLU CA C 106 55.200 54.972 0.228 1
1 1225 . 4 1 1 A 106 106 GLU CB C 106 32.890 34.333 -1.443 1
1 1227 . 4 1 1 A 106 106 GLU N N 106 120.250 119.387 0.863 1
1 1228 . 4 1 1 A 107 107 MET H H 107 8.970 9.095 -0.125 1
1 1229 . 4 1 1 A 107 107 MET HA H 107 5.137 nan 5.137 1
1 1237 . 4 1 1 A 107 107 MET C C 107 174.790 174.274 0.516 1
1 1238 . 4 1 1 A 107 107 MET CA C 107 54.320 53.700 0.620 1
1 1239 . 4 1 1 A 107 107 MET CB C 107 35.830 34.980 0.850 1
1 1242 . 4 1 1 A 107 107 MET N N 107 124.190 123.260 0.930 1
1 1243 . 4 1 1 A 108 108 VAL H H 108 9.140 8.389 0.751 1
1 1244 . 4 1 1 A 108 108 VAL HA H 108 4.820 nan 4.820 1
1 1249 . 4 1 1 A 108 108 VAL C C 108 175.200 174.547 0.653 1
1 1250 . 4 1 1 A 108 108 VAL CA C 108 61.040 59.447 1.593 1
1 1251 . 4 1 1 A 108 108 VAL CB C 108 34.070 34.352 -0.282 1
1 1253 . 4 1 1 A 108 108 VAL N N 108 126.440 121.379 5.061 1
1 1254 . 4 1 1 A 109 109 GLU H H 109 9.169 8.849 0.320 1
1 1255 . 4 1 1 A 109 109 GLU HA H 109 5.440 nan 5.440 1
1 1259 . 4 1 1 A 109 109 GLU C C 109 174.260 174.372 -0.112 1
1 1260 . 4 1 1 A 109 109 GLU CA C 109 53.700 54.523 -0.823 1
1 1261 . 4 1 1 A 109 109 GLU CB C 109 32.290 33.516 -1.226 1
1 1263 . 4 1 1 A 109 109 GLU N N 109 128.110 122.284 5.826 1
1 1264 . 4 1 1 A 110 110 THR H H 110 8.920 8.552 0.368 1
1 1265 . 4 1 1 A 110 110 THR HA H 110 5.174 nan 5.174 1
1 1270 . 4 1 1 A 110 110 THR C C 110 174.780 174.006 0.774 1
1 1271 . 4 1 1 A 110 110 THR CA C 110 60.700 59.898 0.802 1
1 1272 . 4 1 1 A 110 110 THR CB C 110 69.870 70.426 -0.556 1
1 1274 . 4 1 1 A 110 110 THR N N 110 119.130 112.252 6.878 1
1 1275 . 4 1 1 A 111 111 ILE H H 111 9.410 8.628 0.782 1
1 1276 . 4 1 1 A 111 111 ILE HA H 111 5.320 nan 5.320 1
1 1286 . 4 1 1 A 111 111 ILE C C 111 174.820 173.837 0.983 1
1 1287 . 4 1 1 A 111 111 ILE CA C 111 60.310 59.432 0.878 1
1 1288 . 4 1 1 A 111 111 ILE CB C 111 40.520 40.279 0.241 1
1 1292 . 4 1 1 A 111 111 ILE N N 111 128.110 120.974 7.136 1
1 1293 . 4 1 1 A 112 112 THR H H 112 9.346 7.768 1.578 1
1 1294 . 4 1 1 A 112 112 THR HA H 112 5.840 nan 5.840 1
1 1299 . 4 1 1 A 112 112 THR C C 112 173.920 174.001 -0.081 1
1 1300 . 4 1 1 A 112 112 THR CA C 112 61.070 62.016 -0.946 1
1 1301 . 4 1 1 A 112 112 THR CB C 112 70.460 69.052 1.408 1
1 1303 . 4 1 1 A 112 112 THR N N 112 123.630 122.765 0.865 1
1 1304 . 4 1 1 A 113 113 PHE H H 113 9.330 8.955 0.375 1
1 1305 . 4 1 1 A 113 113 PHE HA H 113 4.861 nan 4.861 1
1 1310 . 4 1 1 A 113 113 PHE C C 113 175.430 176.099 -0.669 1
1 1311 . 4 1 1 A 113 113 PHE CA C 113 58.700 56.575 2.125 1
1 1312 . 4 1 1 A 113 113 PHE CB C 113 43.150 41.165 1.985 1
1 1315 . 4 1 1 A 113 113 PHE N N 113 125.330 125.467 -0.137 1
1 1316 . 4 1 1 A 114 114 GLY H H 114 8.485 9.165 -0.680 1
1 1317 . 4 1 1 A 114 114 GLY HA2 H 114 3.500 4.036 -0.536 1
1 1318 . 4 1 1 A 114 114 GLY HA3 H 114 3.500 4.036 -0.536 1
1 1319 . 4 1 1 A 114 114 GLY C C 114 175.180 173.963 1.217 1
1 1320 . 4 1 1 A 114 114 GLY CA C 114 46.700 45.951 0.749 1
1 1321 . 4 1 1 A 114 114 GLY N N 114 115.730 114.877 0.853 1
1 1322 . 4 1 1 A 115 115 GLY H H 115 8.582 8.534 0.048 1
1 1323 . 4 1 1 A 115 115 GLY HA2 H 115 3.637 4.127 -0.490 1
1 1324 . 4 1 1 A 115 115 GLY HA3 H 115 4.196 4.127 0.069 1
1 1325 . 4 1 1 A 115 115 GLY C C 115 173.680 173.976 -0.296 1
1 1326 . 4 1 1 A 115 115 GLY CA C 115 44.480 45.442 -0.962 1
1 1327 . 4 1 1 A 115 115 GLY N N 115 105.040 107.607 -2.567 1
1 1328 . 4 1 1 A 116 116 VAL H H 116 8.199 7.735 0.464 1
1 1329 . 4 1 1 A 116 116 VAL HA H 116 4.353 nan 4.353 1
1 1337 . 4 1 1 A 116 116 VAL C C 116 174.100 174.614 -0.514 1
1 1338 . 4 1 1 A 116 116 VAL CA C 116 61.650 60.971 0.679 1
1 1339 . 4 1 1 A 116 116 VAL CB C 116 33.970 33.365 0.605 1
1 1342 . 4 1 1 A 116 116 VAL N N 116 123.630 121.608 2.022 1
1 1343 . 4 1 1 A 117 117 THR H H 117 8.797 8.901 -0.104 1
1 1344 . 4 1 1 A 117 117 THR HA H 117 5.323 nan 5.323 1
1 1349 . 4 1 1 A 117 117 THR C C 117 173.510 174.739 -1.229 1
1 1350 . 4 1 1 A 117 117 THR CA C 117 61.650 61.900 -0.250 1
1 1351 . 4 1 1 A 117 117 THR CB C 117 69.840 69.834 0.006 1
1 1353 . 4 1 1 A 117 117 THR N N 117 123.030 123.200 -0.170 1
1 1354 . 4 1 1 A 118 118 LEU H H 118 9.491 8.941 0.550 1
1 1355 . 4 1 1 A 118 118 LEU HA H 118 4.800 nan 4.800 1
1 1365 . 4 1 1 A 118 118 LEU C C 118 175.250 175.499 -0.249 1
1 1366 . 4 1 1 A 118 118 LEU CA C 118 53.420 52.741 0.679 1
1 1367 . 4 1 1 A 118 118 LEU CB C 118 43.970 44.781 -0.811 1
1 1371 . 4 1 1 A 118 118 LEU N N 118 131.530 124.184 7.346 1
1 1372 . 4 1 1 A 119 119 ILE H H 119 7.902 8.843 -0.941 1
1 1373 . 4 1 1 A 119 119 ILE HA H 119 5.127 nan 5.127 1
1 1383 . 4 1 1 A 119 119 ILE C C 119 175.450 174.227 1.223 1
1 1384 . 4 1 1 A 119 119 ILE CA C 119 59.780 60.429 -0.649 1
1 1385 . 4 1 1 A 119 119 ILE CB C 119 39.350 39.564 -0.214 1
1 1389 . 4 1 1 A 119 119 ILE N N 119 125.320 120.780 4.540 1
1 1390 . 4 1 1 A 120 120 ARG H H 120 9.550 9.172 0.378 1
1 1391 . 4 1 1 A 120 120 ARG HA H 120 5.420 nan 5.420 1
1 1395 . 4 1 1 A 120 120 ARG C C 120 174.890 174.923 -0.033 1
1 1396 . 4 1 1 A 120 120 ARG CA C 120 54.610 55.611 -1.001 1
1 1397 . 4 1 1 A 120 120 ARG CB C 120 34.060 31.294 2.766 1
1 1400 . 4 1 1 A 120 120 ARG N N 120 126.430 128.542 -2.112 1
1 1401 . 4 1 1 A 121 121 ARG H H 121 9.250 8.681 0.569 1
1 1402 . 4 1 1 A 121 121 ARG HA H 121 5.410 nan 5.410 1
1 1409 . 4 1 1 A 121 121 ARG C C 121 174.780 174.666 0.114 1
1 1410 . 4 1 1 A 121 121 ARG CA C 121 54.770 54.537 0.233 1
1 1411 . 4 1 1 A 121 121 ARG CB C 121 31.650 31.875 -0.225 1
1 1414 . 4 1 1 A 121 121 ARG N N 121 128.130 128.327 -0.197 1
1 1415 . 4 1 1 A 122 122 SER H H 122 9.617 9.068 0.549 1
1 1416 . 4 1 1 A 122 122 SER HA H 122 5.819 nan 5.819 1
1 1419 . 4 1 1 A 122 122 SER C C 122 172.460 174.072 -1.612 1
1 1420 . 4 1 1 A 122 122 SER CA C 122 57.540 57.333 0.207 1
1 1421 . 4 1 1 A 122 122 SER CB C 122 66.939 65.725 1.214 1
1 1422 . 4 1 1 A 122 122 SER N N 122 118.000 123.622 -5.622 1
1 1423 . 4 1 1 A 123 123 LYS H H 123 8.699 9.230 -0.531 1
1 1424 . 4 1 1 A 123 123 LYS HA H 123 5.801 nan 5.801 1
1 1430 . 4 1 1 A 123 123 LYS C C 123 175.440 175.302 0.138 1
1 1431 . 4 1 1 A 123 123 LYS CA C 123 53.430 54.408 -0.978 1
1 1432 . 4 1 1 A 123 123 LYS CB C 123 35.830 36.185 -0.355 1
1 1436 . 4 1 1 A 123 123 LYS N N 123 120.260 121.732 -1.472 1
1 1437 . 4 1 1 A 124 124 ARG H H 124 8.256 8.284 -0.028 1
1 1438 . 4 1 1 A 124 124 ARG HA H 124 4.040 nan 4.040 1
1 1445 . 4 1 1 A 124 124 ARG C C 124 176.530 176.314 0.216 1
1 1446 . 4 1 1 A 124 124 ARG CA C 124 56.960 56.062 0.898 1
1 1447 . 4 1 1 A 124 124 ARG CB C 124 30.540 29.337 1.203 1
1 1450 . 4 1 1 A 124 124 ARG N N 124 124.780 119.809 4.971 1
1 7 . 5 1 1 A 2 2 PHE H H 2 8.500 7.993 0.507 1
1 8 . 5 1 1 A 2 2 PHE HA H 2 4.440 4.781 -0.341 1
1 12 . 5 1 1 A 2 2 PHE C C 2 175.800 176.119 -0.319 1
1 13 . 5 1 1 A 2 2 PHE CA C 2 61.060 57.989 3.071 1
1 14 . 5 1 1 A 2 2 PHE CB C 2 40.690 40.273 0.417 1
1 16 . 5 1 1 A 2 2 PHE N N 2 115.730 117.296 -1.566 1
1 17 . 5 1 1 A 3 3 SER H H 3 8.110 7.965 0.145 1
1 18 . 5 1 1 A 3 3 SER HA H 3 4.500 4.235 0.265 1
1 20 . 5 1 1 A 3 3 SER C C 3 174.470 174.954 -0.484 1
1 21 . 5 1 1 A 3 3 SER CA C 3 59.890 60.268 -0.378 1
1 22 . 5 1 1 A 3 3 SER CB C 3 60.610 63.414 -2.804 1
1 23 . 5 1 1 A 3 3 SER N N 3 111.250 114.637 -3.387 1
1 24 . 5 1 1 A 4 4 GLY H H 4 9.130 8.480 0.650 1
1 25 . 5 1 1 A 4 4 GLY HA2 H 4 4.081 4.223 -0.142 1
1 26 . 5 1 1 A 4 4 GLY HA3 H 4 3.896 4.223 -0.327 1
1 27 . 5 1 1 A 4 4 GLY C C 4 170.770 172.097 -1.327 1
1 28 . 5 1 1 A 4 4 GLY CA C 4 44.040 45.801 -1.761 1
1 29 . 5 1 1 A 4 4 GLY N N 4 111.720 111.831 -0.111 1
1 30 . 5 1 1 A 5 5 THR H H 5 8.306 8.371 -0.065 1
1 31 . 5 1 1 A 5 5 THR HA H 5 4.980 5.328 -0.348 1
1 36 . 5 1 1 A 5 5 THR C C 5 172.600 173.484 -0.884 1
1 37 . 5 1 1 A 5 5 THR CA C 5 62.800 60.965 1.835 1
1 38 . 5 1 1 A 5 5 THR CB C 5 68.690 70.166 -1.476 1
1 40 . 5 1 1 A 5 5 THR N N 5 117.930 111.367 6.563 1
1 41 . 5 1 1 A 6 6 TRP H H 6 9.590 9.675 -0.085 1
1 42 . 5 1 1 A 6 6 TRP HA H 6 5.180 5.361 -0.181 1
1 51 . 5 1 1 A 6 6 TRP C C 6 175.170 175.044 0.126 1
1 52 . 5 1 1 A 6 6 TRP CA C 6 55.190 55.771 -0.581 1
1 53 . 5 1 1 A 6 6 TRP CB C 6 31.720 32.814 -1.094 1
1 58 . 5 1 1 A 6 6 TRP N N 6 127.530 125.442 2.088 1
1 59 . 5 1 1 A 7 7 GLN H H 7 9.359 9.495 -0.136 1
1 60 . 5 1 1 A 7 7 GLN HA H 7 5.052 4.795 0.257 1
1 67 . 5 1 1 A 7 7 GLN C C 7 175.870 174.937 0.933 1
1 68 . 5 1 1 A 7 7 GLN CA C 7 54.020 54.722 -0.702 1
1 69 . 5 1 1 A 7 7 GLN CB C 7 31.700 30.251 1.449 1
1 71 . 5 1 1 A 7 7 GLN N N 7 122.500 124.059 -1.559 1
1 73 . 5 1 1 A 8 8 VAL H H 8 8.590 8.786 -0.196 1
1 74 . 5 1 1 A 8 8 VAL HA H 8 4.511 4.730 -0.219 1
1 82 . 5 1 1 A 8 8 VAL C C 8 175.850 174.922 0.928 1
1 83 . 5 1 1 A 8 8 VAL CA C 8 63.420 61.274 2.146 1
1 84 . 5 1 1 A 8 8 VAL CB C 8 31.720 32.895 -1.175 1
1 87 . 5 1 1 A 8 8 VAL N N 8 131.500 124.134 7.366 1
1 88 . 5 1 1 A 9 9 TYR H H 9 9.595 9.256 0.339 1
1 89 . 5 1 1 A 9 9 TYR HA H 9 5.184 5.871 -0.687 1
1 94 . 5 1 1 A 9 9 TYR C C 9 174.140 174.117 0.023 1
1 95 . 5 1 1 A 9 9 TYR CA C 9 56.370 55.486 0.884 1
1 96 . 5 1 1 A 9 9 TYR CB C 9 40.530 41.222 -0.692 1
1 99 . 5 1 1 A 9 9 TYR N N 9 123.060 122.786 0.274 1
1 100 . 5 1 1 A 10 10 ALA H H 10 7.380 8.613 -1.233 1
1 101 . 5 1 1 A 10 10 ALA HA H 10 4.720 4.924 -0.204 1
1 105 . 5 1 1 A 10 10 ALA C C 10 175.100 175.616 -0.516 1
1 106 . 5 1 1 A 10 10 ALA CA C 10 51.660 51.396 0.264 1
1 107 . 5 1 1 A 10 10 ALA CB C 10 22.330 22.710 -0.380 1
1 108 . 5 1 1 A 10 10 ALA N N 10 125.830 122.337 3.493 1
1 109 . 5 1 1 A 11 11 GLN H H 11 8.761 8.671 0.090 1
1 110 . 5 1 1 A 11 11 GLN HA H 11 5.289 4.612 0.677 1
1 115 . 5 1 1 A 11 11 GLN C C 11 174.400 175.451 -1.051 1
1 116 . 5 1 1 A 11 11 GLN CA C 11 54.020 55.134 -1.114 1
1 117 . 5 1 1 A 11 11 GLN CB C 11 32.310 30.422 1.888 1
1 119 . 5 1 1 A 11 11 GLN N N 11 118.530 121.300 -2.770 1
1 120 . 5 1 1 A 12 12 GLU H H 12 9.353 7.467 1.886 1
1 121 . 5 1 1 A 12 12 GLU HA H 12 4.670 4.410 0.260 1
1 126 . 5 1 1 A 12 12 GLU C C 12 176.600 176.768 -0.168 1
1 127 . 5 1 1 A 12 12 GLU CA C 12 55.780 56.621 -0.841 1
1 128 . 5 1 1 A 12 12 GLU CB C 12 31.720 29.480 2.240 1
1 130 . 5 1 1 A 12 12 GLU N N 12 123.630 119.751 3.879 1
1 131 . 5 1 1 A 13 13 ASN H H 13 9.240 9.257 -0.017 1
1 132 . 5 1 1 A 13 13 ASN HA H 13 4.780 4.420 0.360 1
1 137 . 5 1 1 A 13 13 ASN C C 13 175.720 174.900 0.820 1
1 138 . 5 1 1 A 13 13 ASN CA C 13 54.010 54.627 -0.617 1
1 139 . 5 1 1 A 13 13 ASN CB C 13 44.800 36.657 8.143 1
1 140 . 5 1 1 A 13 13 ASN N N 13 117.430 119.656 -2.226 1
1 142 . 5 1 1 A 14 14 TYR HA H 14 4.540 4.348 0.192 1
1 147 . 5 1 1 A 14 14 TYR C C 14 177.100 177.772 -0.672 1
1 148 . 5 1 1 A 14 14 TYR CA C 14 59.890 61.652 -1.762 1
1 149 . 5 1 1 A 14 14 TYR CB C 14 39.350 39.227 0.123 1
1 152 . 5 1 1 A 14 14 TYR N N 14 118.530 118.985 -0.455 1
1 153 . 5 1 1 A 15 15 GLU H H 15 8.970 8.496 0.474 1
1 154 . 5 1 1 A 15 15 GLU HA H 15 3.680 4.058 -0.378 1
1 157 . 5 1 1 A 15 15 GLU C C 15 179.100 178.967 0.133 1
1 158 . 5 1 1 A 15 15 GLU CA C 15 61.070 59.312 1.758 1
1 159 . 5 1 1 A 15 15 GLU CB C 15 28.200 28.732 -0.532 1
1 161 . 5 1 1 A 15 15 GLU N N 15 117.930 118.907 -0.977 1
1 162 . 5 1 1 A 16 16 GLU H H 16 9.020 8.380 0.640 1
1 163 . 5 1 1 A 16 16 GLU HA H 16 3.950 4.097 -0.147 1
1 167 . 5 1 1 A 16 16 GLU C C 16 179.200 179.011 0.189 1
1 168 . 5 1 1 A 16 16 GLU CA C 16 59.890 59.579 0.311 1
1 169 . 5 1 1 A 16 16 GLU CB C 16 28.200 29.631 -1.431 1
1 171 . 5 1 1 A 16 16 GLU N N 16 118.530 120.670 -2.140 1
1 172 . 5 1 1 A 17 17 PHE H H 17 8.490 7.978 0.512 1
1 173 . 5 1 1 A 17 17 PHE HA H 17 4.130 4.175 -0.045 1
1 178 . 5 1 1 A 17 17 PHE C C 17 176.000 177.182 -1.182 1
1 179 . 5 1 1 A 17 17 PHE CA C 17 62.240 61.388 0.852 1
1 180 . 5 1 1 A 17 17 PHE CB C 17 39.930 39.711 0.219 1
1 183 . 5 1 1 A 17 17 PHE N N 17 124.190 120.502 3.688 1
1 184 . 5 1 1 A 18 18 LEU H H 18 8.460 8.278 0.182 1
1 185 . 5 1 1 A 18 18 LEU HA H 18 3.770 3.971 -0.201 1
1 195 . 5 1 1 A 18 18 LEU C C 18 179.500 178.880 0.620 1
1 196 . 5 1 1 A 18 18 LEU CA C 18 58.130 57.883 0.247 1
1 197 . 5 1 1 A 18 18 LEU CB C 18 41.100 41.482 -0.382 1
1 201 . 5 1 1 A 18 18 LEU N N 18 117.430 119.384 -1.954 1
1 202 . 5 1 1 A 19 19 LYS H H 19 7.760 7.508 0.252 1
1 203 . 5 1 1 A 19 19 LYS HA H 19 4.120 4.318 -0.198 1
1 209 . 5 1 1 A 19 19 LYS C C 19 180.710 177.400 3.310 1
1 210 . 5 1 1 A 19 19 LYS CA C 19 58.720 58.215 0.505 1
1 211 . 5 1 1 A 19 19 LYS CB C 19 31.720 31.909 -0.189 1
1 215 . 5 1 1 A 19 19 LYS N N 19 116.830 116.134 0.696 1
1 216 . 5 1 1 A 20 20 ALA H H 20 8.050 8.133 -0.083 1
1 217 . 5 1 1 A 20 20 ALA HA H 20 4.270 4.668 -0.398 1
1 221 . 5 1 1 A 20 20 ALA C C 20 179.050 176.879 2.171 1
1 222 . 5 1 1 A 20 20 ALA CA C 20 54.600 51.365 3.235 1
1 223 . 5 1 1 A 20 20 ALA CB C 20 17.630 20.502 -2.872 1
1 224 . 5 1 1 A 20 20 ALA N N 20 125.880 120.766 5.114 1
1 225 . 5 1 1 A 21 21 LEU H H 21 7.330 7.298 0.032 1
1 226 . 5 1 1 A 21 21 LEU HA H 21 3.780 4.733 -0.953 1
1 236 . 5 1 1 A 21 21 LEU C C 21 175.540 176.256 -0.716 1
1 237 . 5 1 1 A 21 21 LEU CA C 21 55.200 53.351 1.849 1
1 238 . 5 1 1 A 21 21 LEU CB C 21 41.700 44.068 -2.368 1
1 242 . 5 1 1 A 21 21 LEU N N 21 115.750 115.807 -0.057 1
1 243 . 5 1 1 A 22 22 ALA H H 22 7.990 8.371 -0.381 1
1 244 . 5 1 1 A 22 22 ALA HA H 22 4.010 4.411 -0.401 1
1 248 . 5 1 1 A 22 22 ALA C C 22 177.000 176.434 0.566 1
1 249 . 5 1 1 A 22 22 ALA CA C 22 52.260 52.131 0.129 1
1 250 . 5 1 1 A 22 22 ALA CB C 22 16.460 17.389 -0.929 1
1 251 . 5 1 1 A 22 22 ALA N N 22 118.000 120.205 -2.205 1
1 252 . 5 1 1 A 23 23 LEU H H 23 7.010 7.645 -0.635 1
1 253 . 5 1 1 A 23 23 LEU HA H 23 4.440 4.891 -0.451 1
1 263 . 5 1 1 A 23 23 LEU C C 23 174.650 176.284 -1.634 1
1 264 . 5 1 1 A 23 23 LEU CA C 23 53.440 51.456 1.984 1
1 265 . 5 1 1 A 23 23 LEU CB C 23 41.700 43.703 -2.003 1
1 269 . 5 1 1 A 23 23 LEU N N 23 119.130 122.074 -2.944 1
1 270 . 5 1 1 A 24 24 PRO HA H 24 4.570 4.579 -0.009 1
1 277 . 5 1 1 A 24 24 PRO C C 24 177.830 177.871 -0.041 1
1 278 . 5 1 1 A 24 24 PRO CA C 24 62.240 63.613 -1.373 1
1 279 . 5 1 1 A 24 24 PRO CB C 24 32.310 32.680 -0.370 1
1 282 . 5 1 1 A 25 25 GLU H H 25 8.910 8.088 0.822 1
1 283 . 5 1 1 A 25 25 GLU HA H 25 3.900 4.284 -0.384 1
1 288 . 5 1 1 A 25 25 GLU C C 25 178.140 176.542 1.598 1
1 289 . 5 1 1 A 25 25 GLU CA C 25 59.890 58.393 1.497 1
1 290 . 5 1 1 A 25 25 GLU CB C 25 29.370 29.522 -0.152 1
1 292 . 5 1 1 A 25 25 GLU N N 25 122.500 118.914 3.586 1
1 293 . 5 1 1 A 26 26 ASP H H 26 9.000 8.563 0.437 1
1 294 . 5 1 1 A 26 26 ASP HA H 26 4.410 4.483 -0.073 1
1 297 . 5 1 1 A 26 26 ASP C C 26 178.610 177.169 1.441 1
1 298 . 5 1 1 A 26 26 ASP CA C 26 56.370 56.574 -0.204 1
1 299 . 5 1 1 A 26 26 ASP CB C 26 39.350 41.305 -1.955 1
1 300 . 5 1 1 A 26 26 ASP N N 26 116.310 119.789 -3.479 1
1 301 . 5 1 1 A 27 27 LEU H H 27 7.440 7.576 -0.136 1
1 302 . 5 1 1 A 27 27 LEU HA H 27 4.400 4.458 -0.058 1
1 312 . 5 1 1 A 27 27 LEU C C 27 178.480 177.607 0.873 1
1 313 . 5 1 1 A 27 27 LEU CA C 27 56.370 54.584 1.786 1
1 314 . 5 1 1 A 27 27 LEU CB C 27 41.210 41.746 -0.536 1
1 318 . 5 1 1 A 27 27 LEU N N 27 120.250 117.151 3.099 1
1 319 . 5 1 1 A 28 28 ILE H H 28 8.040 7.697 0.343 1
1 320 . 5 1 1 A 28 28 ILE HA H 28 3.430 3.661 -0.231 1
1 330 . 5 1 1 A 28 28 ILE C C 28 177.705 177.720 -0.015 1
1 331 . 5 1 1 A 28 28 ILE CA C 28 66.350 65.238 1.112 1
1 332 . 5 1 1 A 28 28 ILE CB C 28 37.000 37.277 -0.277 1
1 336 . 5 1 1 A 28 28 ILE N N 28 121.930 120.289 1.641 1
1 337 . 5 1 1 A 29 29 LYS H H 29 7.830 7.871 -0.041 1
1 338 . 5 1 1 A 29 29 LYS HA H 29 3.940 4.110 -0.170 1
1 344 . 5 1 1 A 29 29 LYS C C 29 179.200 178.862 0.338 1
1 345 . 5 1 1 A 29 29 LYS CA C 29 59.890 59.319 0.571 1
1 346 . 5 1 1 A 29 29 LYS CB C 29 31.700 31.989 -0.289 1
1 350 . 5 1 1 A 29 29 LYS N N 29 116.880 119.737 -2.857 1
1 351 . 5 1 1 A 30 30 MET H H 30 7.290 7.873 -0.583 1
1 352 . 5 1 1 A 30 30 MET HA H 30 4.268 4.361 -0.093 1
1 360 . 5 1 1 A 30 30 MET C C 30 177.710 177.942 -0.232 1
1 361 . 5 1 1 A 30 30 MET CA C 30 58.130 57.377 0.753 1
1 362 . 5 1 1 A 30 30 MET CB C 30 33.480 33.521 -0.041 1
1 365 . 5 1 1 A 30 30 MET N N 30 116.880 119.298 -2.418 1
1 366 . 5 1 1 A 31 31 ALA H H 31 8.410 7.772 0.638 1
1 367 . 5 1 1 A 31 31 ALA HA H 31 4.180 3.986 0.194 1
1 371 . 5 1 1 A 31 31 ALA C C 31 180.650 179.296 1.354 1
1 372 . 5 1 1 A 31 31 ALA CA C 31 54.020 55.152 -1.132 1
1 373 . 5 1 1 A 31 31 ALA CB C 31 19.980 17.583 2.397 1
1 374 . 5 1 1 A 31 31 ALA N N 31 120.250 121.250 -1.000 1
1 375 . 5 1 1 A 32 32 ARG H H 32 8.000 7.841 0.159 1
1 376 . 5 1 1 A 32 32 ARG HA H 32 4.130 4.212 -0.082 1
1 382 . 5 1 1 A 32 32 ARG C C 32 176.805 176.993 -0.188 1
1 383 . 5 1 1 A 32 32 ARG CA C 32 60.480 58.108 2.372 1
1 384 . 5 1 1 A 32 32 ARG CB C 32 30.540 29.370 1.170 1
1 387 . 5 1 1 A 32 32 ARG N N 32 118.540 116.619 1.921 1
1 388 . 5 1 1 A 33 33 ASP H H 33 7.980 7.769 0.211 1
1 389 . 5 1 1 A 33 33 ASP HA H 33 4.970 4.760 0.210 1
1 392 . 5 1 1 A 33 33 ASP C C 33 175.990 176.443 -0.453 1
1 393 . 5 1 1 A 33 33 ASP CA C 33 54.000 54.264 -0.264 1
1 394 . 5 1 1 A 33 33 ASP CB C 33 41.700 41.264 0.436 1
1 395 . 5 1 1 A 33 33 ASP N N 33 116.310 119.107 -2.797 1
1 396 . 5 1 1 A 34 34 ILE H H 34 7.550 7.284 0.266 1
1 397 . 5 1 1 A 34 34 ILE HA H 34 4.150 4.179 -0.029 1
1 407 . 5 1 1 A 34 34 ILE C C 34 175.797 175.421 0.376 1
1 408 . 5 1 1 A 34 34 ILE CA C 34 61.070 61.399 -0.329 1
1 409 . 5 1 1 A 34 34 ILE CB C 34 38.180 36.455 1.725 1
1 413 . 5 1 1 A 34 34 ILE N N 34 120.870 122.113 -1.243 1
1 414 . 5 1 1 A 35 35 LYS H H 35 8.990 8.332 0.658 1
1 415 . 5 1 1 A 35 35 LYS HA H 35 4.730 5.020 -0.290 1
1 423 . 5 1 1 A 35 35 LYS C C 35 173.200 173.785 -0.585 1
1 424 . 5 1 1 A 35 35 LYS CA C 35 52.840 53.809 -0.969 1
1 425 . 5 1 1 A 35 35 LYS CB C 35 32.890 33.225 -0.335 1
1 429 . 5 1 1 A 35 35 LYS N N 35 129.810 128.418 1.392 1
1 430 . 5 1 1 A 36 36 PRO HA H 36 4.730 4.870 -0.140 1
1 436 . 5 1 1 A 36 36 PRO C C 36 173.900 175.576 -1.676 1
1 437 . 5 1 1 A 36 36 PRO CA C 36 62.800 62.343 0.457 1
1 438 . 5 1 1 A 36 36 PRO CB C 36 32.310 32.927 -0.617 1
1 441 . 5 1 1 A 37 37 ILE H H 37 8.400 8.486 -0.086 1
1 442 . 5 1 1 A 37 37 ILE HA H 37 5.090 4.705 0.385 1
1 452 . 5 1 1 A 37 37 ILE C C 37 175.257 175.511 -0.254 1
1 453 . 5 1 1 A 37 37 ILE CA C 37 62.670 60.270 2.400 1
1 454 . 5 1 1 A 37 37 ILE CB C 37 40.520 39.321 1.199 1
1 458 . 5 1 1 A 37 37 ILE N N 37 121.380 120.404 0.976 1
1 459 . 5 1 1 A 38 38 VAL H H 38 9.550 9.279 0.271 1
1 460 . 5 1 1 A 38 38 VAL HA H 38 5.180 4.444 0.736 1
1 465 . 5 1 1 A 38 38 VAL C C 38 174.875 175.334 -0.459 1
1 466 . 5 1 1 A 38 38 VAL CA C 38 61.060 62.391 -1.331 1
1 467 . 5 1 1 A 38 38 VAL CB C 38 34.650 32.206 2.444 1
1 469 . 5 1 1 A 38 38 VAL N N 38 128.690 128.991 -0.301 1
1 470 . 5 1 1 A 39 39 GLU H H 39 9.710 9.047 0.663 1
1 471 . 5 1 1 A 39 39 GLU HA H 39 5.510 4.867 0.643 1
1 476 . 5 1 1 A 39 39 GLU C C 39 175.930 175.352 0.578 1
1 477 . 5 1 1 A 39 39 GLU CA C 39 54.020 55.404 -1.384 1
1 478 . 5 1 1 A 39 39 GLU CB C 39 31.700 30.393 1.307 1
1 480 . 5 1 1 A 39 39 GLU N N 39 128.130 127.626 0.504 1
1 481 . 5 1 1 A 40 40 ILE H H 40 9.760 8.955 0.805 1
1 482 . 5 1 1 A 40 40 ILE HA H 40 5.130 4.559 0.571 1
1 492 . 5 1 1 A 40 40 ILE C C 40 175.960 175.376 0.584 1
1 493 . 5 1 1 A 40 40 ILE CA C 40 61.650 60.970 0.680 1
1 494 . 5 1 1 A 40 40 ILE CB C 40 40.520 37.715 2.805 1
1 498 . 5 1 1 A 40 40 ILE N N 40 126.430 126.401 0.029 1
1 499 . 5 1 1 A 41 41 GLN H H 41 9.380 8.994 0.386 1
1 500 . 5 1 1 A 41 41 GLN HA H 41 4.740 5.065 -0.325 1
1 506 . 5 1 1 A 41 41 GLN C C 41 173.420 173.751 -0.331 1
1 507 . 5 1 1 A 41 41 GLN CA C 41 54.590 53.930 0.660 1
1 508 . 5 1 1 A 41 41 GLN CB C 41 31.130 30.898 0.232 1
1 510 . 5 1 1 A 41 41 GLN N N 41 128.130 127.270 0.860 1
1 512 . 5 1 1 A 42 42 GLN H H 42 8.310 8.859 -0.549 1
1 513 . 5 1 1 A 42 42 GLN HA H 42 4.440 4.879 -0.439 1
1 520 . 5 1 1 A 42 42 GLN C C 42 174.500 174.080 0.420 1
1 521 . 5 1 1 A 42 42 GLN CA C 42 54.020 54.354 -0.334 1
1 522 . 5 1 1 A 42 42 GLN CB C 42 29.960 30.556 -0.596 1
1 524 . 5 1 1 A 42 42 GLN N N 42 125.880 125.579 0.301 1
1 526 . 5 1 1 A 43 43 LYS H H 43 8.290 8.968 -0.678 1
1 527 . 5 1 1 A 43 43 LYS HA H 43 4.420 4.650 -0.230 1
1 533 . 5 1 1 A 43 43 LYS C C 43 175.990 176.443 -0.453 1
1 534 . 5 1 1 A 43 43 LYS CA C 43 54.020 54.770 -0.750 1
1 535 . 5 1 1 A 43 43 LYS CB C 43 32.890 33.017 -0.127 1
1 539 . 5 1 1 A 43 43 LYS N N 43 129.810 127.193 2.617 1
1 540 . 5 1 1 A 44 44 GLY H H 44 9.040 8.806 0.234 1
1 541 . 5 1 1 A 44 44 GLY HA2 H 44 3.660 3.919 -0.259 1
1 542 . 5 1 1 A 44 44 GLY HA3 H 44 4.020 3.919 0.101 1
1 543 . 5 1 1 A 44 44 GLY C C 44 173.790 174.313 -0.523 1
1 544 . 5 1 1 A 44 44 GLY CA C 44 47.570 47.289 0.281 1
1 545 . 5 1 1 A 44 44 GLY N N 44 116.880 114.700 2.180 1
1 546 . 5 1 1 A 45 45 ASP H H 45 8.920 8.272 0.648 1
1 547 . 5 1 1 A 45 45 ASP HA H 45 4.920 4.750 0.170 1
1 550 . 5 1 1 A 45 45 ASP C C 45 174.220 175.232 -1.012 1
1 551 . 5 1 1 A 45 45 ASP CA C 45 54.000 53.547 0.453 1
1 552 . 5 1 1 A 45 45 ASP CB C 45 38.420 40.882 -2.462 1
1 553 . 5 1 1 A 45 45 ASP N N 45 127.530 125.512 2.018 1
1 554 . 5 1 1 A 46 46 ASP H H 46 8.090 7.645 0.445 1
1 555 . 5 1 1 A 46 46 ASP HA H 46 5.290 5.213 0.077 1
1 558 . 5 1 1 A 46 46 ASP C C 46 174.779 175.061 -0.282 1
1 559 . 5 1 1 A 46 46 ASP CA C 46 54.020 52.821 1.199 1
1 560 . 5 1 1 A 46 46 ASP CB C 46 41.100 43.715 -2.615 1
1 561 . 5 1 1 A 46 46 ASP N N 46 120.250 119.761 0.489 1
1 562 . 5 1 1 A 47 47 PHE H H 47 9.360 9.217 0.143 1
1 563 . 5 1 1 A 47 47 PHE HA H 47 5.050 5.305 -0.255 1
1 568 . 5 1 1 A 47 47 PHE C C 47 176.260 174.570 1.690 1
1 569 . 5 1 1 A 47 47 PHE CA C 47 56.370 56.231 0.139 1
1 570 . 5 1 1 A 47 47 PHE CB C 47 42.870 41.600 1.270 1
1 573 . 5 1 1 A 47 47 PHE N N 47 122.500 119.161 3.339 1
1 574 . 5 1 1 A 48 48 VAL H H 48 8.580 9.286 -0.706 1
1 575 . 5 1 1 A 48 48 VAL HA H 48 5.140 4.877 0.263 1
1 583 . 5 1 1 A 48 48 VAL C C 48 175.370 175.169 0.201 1
1 584 . 5 1 1 A 48 48 VAL CA C 48 62.200 61.078 1.122 1
1 585 . 5 1 1 A 48 48 VAL CB C 48 33.200 33.943 -0.743 1
1 588 . 5 1 1 A 48 48 VAL N N 48 121.930 122.300 -0.370 1
1 589 . 5 1 1 A 49 49 VAL H H 49 9.440 9.330 0.110 1
1 590 . 5 1 1 A 49 49 VAL HA H 49 5.140 5.359 -0.219 1
1 598 . 5 1 1 A 49 49 VAL C C 49 175.840 174.604 1.236 1
1 599 . 5 1 1 A 49 49 VAL CA C 49 61.040 59.311 1.729 1
1 600 . 5 1 1 A 49 49 VAL CB C 49 33.660 36.109 -2.449 1
1 603 . 5 1 1 A 49 49 VAL N N 49 128.130 120.650 7.480 1
1 604 . 5 1 1 A 50 50 THR H H 50 9.810 8.587 1.223 1
1 605 . 5 1 1 A 50 50 THR HA H 50 5.530 5.229 0.301 1
1 610 . 5 1 1 A 50 50 THR C C 50 173.450 173.502 -0.052 1
1 611 . 5 1 1 A 50 50 THR CA C 50 61.070 61.164 -0.094 1
1 612 . 5 1 1 A 50 50 THR CB C 50 70.460 72.182 -1.722 1
1 614 . 5 1 1 A 50 50 THR N N 50 128.130 117.290 10.840 1
1 615 . 5 1 1 A 51 51 SER H H 51 9.380 8.768 0.612 1
1 616 . 5 1 1 A 51 51 SER HA H 51 5.380 5.006 0.374 1
1 618 . 5 1 1 A 51 51 SER C C 51 173.450 173.282 0.168 1
1 619 . 5 1 1 A 51 51 SER CA C 51 56.960 57.653 -0.693 1
1 620 . 5 1 1 A 51 51 SER CB C 51 64.590 63.956 0.634 1
1 621 . 5 1 1 A 51 51 SER N N 51 123.630 122.675 0.955 1
1 622 . 5 1 1 A 52 52 LYS H H 52 9.610 8.681 0.929 1
1 623 . 5 1 1 A 52 52 LYS HA H 52 5.270 4.706 0.564 1
1 630 . 5 1 1 A 52 52 LYS C C 52 175.850 176.038 -0.188 1
1 631 . 5 1 1 A 52 52 LYS CA C 52 56.370 56.028 0.342 1
1 632 . 5 1 1 A 52 52 LYS CB C 52 33.140 32.401 0.739 1
1 636 . 5 1 1 A 52 52 LYS N N 52 125.220 125.373 -0.153 1
1 637 . 5 1 1 A 53 53 THR H H 53 8.630 7.867 0.763 1
1 638 . 5 1 1 A 53 53 THR HA H 53 5.040 5.003 0.037 1
1 643 . 5 1 1 A 53 53 THR C C 53 172.990 174.400 -1.410 1
1 644 . 5 1 1 A 53 53 THR CA C 53 59.290 58.763 0.527 1
1 645 . 5 1 1 A 53 53 THR CB C 53 69.290 69.910 -0.620 1
1 647 . 5 1 1 A 53 53 THR N N 53 115.190 116.296 -1.106 1
1 648 . 5 1 1 A 54 54 PRO HA H 54 4.390 4.580 -0.190 1
1 655 . 5 1 1 A 54 54 PRO C C 54 177.230 177.077 0.153 1
1 656 . 5 1 1 A 54 54 PRO CA C 54 65.760 63.752 2.008 1
1 657 . 5 1 1 A 54 54 PRO CB C 54 31.720 31.673 0.047 1
1 660 . 5 1 1 A 55 55 ARG H H 55 7.960 8.243 -0.283 1
1 661 . 5 1 1 A 55 55 ARG HA H 55 4.540 4.672 -0.132 1
1 668 . 5 1 1 A 55 55 ARG C C 55 175.430 174.999 0.431 1
1 669 . 5 1 1 A 55 55 ARG CA C 55 55.190 57.290 -2.100 1
1 670 . 5 1 1 A 55 55 ARG CB C 55 31.720 33.069 -1.349 1
1 673 . 5 1 1 A 55 55 ARG N N 55 111.250 119.917 -8.667 1
1 674 . 5 1 1 A 56 56 GLN H H 56 7.510 8.084 -0.574 1
1 675 . 5 1 1 A 56 56 GLN HA H 56 4.930 4.885 0.045 1
1 682 . 5 1 1 A 56 56 GLN C C 56 173.670 174.863 -1.193 1
1 683 . 5 1 1 A 56 56 GLN CA C 56 58.390 54.469 3.921 1
1 684 . 5 1 1 A 56 56 GLN CB C 56 31.720 32.033 -0.313 1
1 686 . 5 1 1 A 56 56 GLN N N 56 118.000 117.653 0.347 1
1 688 . 5 1 1 A 57 57 THR H H 57 8.630 8.551 0.079 1
1 689 . 5 1 1 A 57 57 THR HA H 57 5.530 5.218 0.312 1
1 694 . 5 1 1 A 57 57 THR C C 57 173.300 173.650 -0.350 1
1 695 . 5 1 1 A 57 57 THR CA C 57 64.450 61.111 3.339 1
1 696 . 5 1 1 A 57 57 THR CB C 57 71.630 71.918 -0.288 1
1 698 . 5 1 1 A 57 57 THR N N 57 121.380 114.865 6.515 1
1 699 . 5 1 1 A 58 58 VAL H H 58 8.920 8.505 0.415 1
1 700 . 5 1 1 A 58 58 VAL HA H 58 5.100 4.680 0.420 1
1 705 . 5 1 1 A 58 58 VAL C C 58 173.800 173.820 -0.020 1
1 706 . 5 1 1 A 58 58 VAL CA C 58 54.600 60.614 -6.014 1
1 707 . 5 1 1 A 58 58 VAL CB C 58 34.660 34.730 -0.070 1
1 709 . 5 1 1 A 58 58 VAL N N 58 125.320 121.568 3.752 1
1 710 . 5 1 1 A 59 59 THR H H 59 8.830 8.647 0.183 1
1 711 . 5 1 1 A 59 59 THR HA H 59 5.320 5.018 0.302 1
1 716 . 5 1 1 A 59 59 THR C C 59 172.980 173.724 -0.744 1
1 717 . 5 1 1 A 59 59 THR CA C 59 61.650 61.971 -0.321 1
1 718 . 5 1 1 A 59 59 THR CB C 59 71.040 70.421 0.619 1
1 720 . 5 1 1 A 59 59 THR N N 59 124.190 122.535 1.655 1
1 721 . 5 1 1 A 60 60 ASN H H 60 9.340 9.443 -0.103 1
1 722 . 5 1 1 A 60 60 ASN HA H 60 5.400 5.263 0.137 1
1 727 . 5 1 1 A 60 60 ASN C C 60 172.850 174.357 -1.507 1
1 728 . 5 1 1 A 60 60 ASN CA C 60 52.260 52.845 -0.585 1
1 729 . 5 1 1 A 60 60 ASN CB C 60 43.460 40.531 2.929 1
1 730 . 5 1 1 A 60 60 ASN N N 60 124.730 126.063 -1.333 1
1 732 . 5 1 1 A 61 61 SER H H 61 8.890 9.141 -0.251 1
1 733 . 5 1 1 A 61 61 SER HA H 61 5.490 5.305 0.185 1
1 735 . 5 1 1 A 61 61 SER C C 61 172.560 173.376 -0.816 1
1 736 . 5 1 1 A 61 61 SER CA C 61 56.370 57.460 -1.090 1
1 737 . 5 1 1 A 61 61 SER CB C 61 65.600 65.030 0.570 1
1 738 . 5 1 1 A 61 61 SER N N 61 115.130 120.455 -5.325 1
1 739 . 5 1 1 A 62 62 PHE H H 62 8.330 8.587 -0.257 1
1 740 . 5 1 1 A 62 62 PHE HA H 62 5.060 5.781 -0.721 1
1 745 . 5 1 1 A 62 62 PHE C C 62 172.600 173.024 -0.424 1
1 746 . 5 1 1 A 62 62 PHE CA C 62 56.370 55.580 0.790 1
1 747 . 5 1 1 A 62 62 PHE CB C 62 40.520 42.607 -2.087 1
1 750 . 5 1 1 A 62 62 PHE N N 62 117.430 122.081 -4.651 1
1 751 . 5 1 1 A 63 63 THR H H 63 9.710 8.824 0.886 1
1 752 . 5 1 1 A 63 63 THR HA H 63 5.550 4.861 0.689 1
1 757 . 5 1 1 A 63 63 THR C C 63 175.450 174.893 0.557 1
1 758 . 5 1 1 A 63 63 THR CA C 63 61.060 61.712 -0.652 1
1 759 . 5 1 1 A 63 63 THR CB C 63 71.630 70.414 1.216 1
1 761 . 5 1 1 A 63 63 THR N N 63 119.630 116.397 3.233 1
1 762 . 5 1 1 A 64 64 LEU H H 64 9.250 9.119 0.131 1
1 763 . 5 1 1 A 64 64 LEU HA H 64 4.410 4.143 0.267 1
1 773 . 5 1 1 A 64 64 LEU C C 64 178.310 177.976 0.334 1
1 774 . 5 1 1 A 64 64 LEU CA C 64 56.370 56.319 0.051 1
1 775 . 5 1 1 A 64 64 LEU CB C 64 41.700 41.560 0.140 1
1 779 . 5 1 1 A 64 64 LEU N N 64 126.430 127.073 -0.643 1
1 780 . 5 1 1 A 65 65 GLY H H 65 9.121 9.320 -0.199 1
1 781 . 5 1 1 A 65 65 GLY HA2 H 65 4.280 3.968 0.312 1
1 782 . 5 1 1 A 65 65 GLY HA3 H 65 3.240 3.968 -0.728 1
1 783 . 5 1 1 A 65 65 GLY C C 65 173.200 173.331 -0.131 1
1 784 . 5 1 1 A 65 65 GLY CA C 65 45.800 45.642 0.158 1
1 785 . 5 1 1 A 65 65 GLY N N 65 107.310 112.444 -5.134 1
1 786 . 5 1 1 A 66 66 LYS H H 66 7.990 7.307 0.683 1
1 787 . 5 1 1 A 66 66 LYS HA H 66 4.790 4.895 -0.105 1
1 793 . 5 1 1 A 66 66 LYS C C 66 175.500 174.730 0.770 1
1 794 . 5 1 1 A 66 66 LYS CA C 66 54.000 54.434 -0.434 1
1 795 . 5 1 1 A 66 66 LYS CB C 66 34.660 35.651 -0.991 1
1 799 . 5 1 1 A 66 66 LYS N N 66 120.820 120.741 0.079 1
1 800 . 5 1 1 A 67 67 GLU H H 67 8.880 8.592 0.288 1
1 801 . 5 1 1 A 67 67 GLU HA H 67 4.290 4.550 -0.260 1
1 805 . 5 1 1 A 67 67 GLU C C 67 174.820 175.929 -1.109 1
1 806 . 5 1 1 A 67 67 GLU CA C 67 58.720 57.239 1.481 1
1 807 . 5 1 1 A 67 67 GLU CB C 67 29.960 30.432 -0.472 1
1 808 . 5 1 1 A 67 67 GLU N N 67 129.250 124.339 4.911 1
1 809 . 5 1 1 A 68 68 ALA H H 68 9.430 8.445 0.985 1
1 810 . 5 1 1 A 68 68 ALA HA H 68 4.920 5.222 -0.302 1
1 814 . 5 1 1 A 68 68 ALA C C 68 175.630 175.665 -0.035 1
1 815 . 5 1 1 A 68 68 ALA CA C 68 50.490 50.291 0.199 1
1 816 . 5 1 1 A 68 68 ALA CB C 68 22.910 24.096 -1.186 1
1 817 . 5 1 1 A 68 68 ALA N N 68 130.330 128.433 1.897 1
1 818 . 5 1 1 A 69 69 ASP H H 69 8.380 8.729 -0.349 1
1 819 . 5 1 1 A 69 69 ASP HA H 69 5.210 5.367 -0.157 1
1 821 . 5 1 1 A 69 69 ASP C C 69 175.100 175.018 0.082 1
1 822 . 5 1 1 A 69 69 ASP CA C 69 53.440 53.286 0.154 1
1 823 . 5 1 1 A 69 69 ASP CB C 69 41.700 42.782 -1.082 1
1 824 . 5 1 1 A 69 69 ASP N N 69 119.630 120.162 -0.532 1
1 825 . 5 1 1 A 70 70 ILE H H 70 9.120 9.795 -0.675 1
1 826 . 5 1 1 A 70 70 ILE HA H 70 4.540 4.596 -0.056 1
1 836 . 5 1 1 A 70 70 ILE C C 70 175.390 174.872 0.518 1
1 837 . 5 1 1 A 70 70 ILE CA C 70 56.960 60.435 -3.475 1
1 838 . 5 1 1 A 70 70 ILE CB C 70 38.760 38.173 0.587 1
1 842 . 5 1 1 A 70 70 ILE N N 70 126.430 124.123 2.307 1
1 843 . 5 1 1 A 71 71 THR H H 71 9.460 9.018 0.442 1
1 844 . 5 1 1 A 71 71 THR HA H 71 5.310 4.884 0.426 1
1 849 . 5 1 1 A 71 71 THR C C 71 174.985 173.793 1.192 1
1 850 . 5 1 1 A 71 71 THR CA C 71 61.650 61.930 -0.280 1
1 851 . 5 1 1 A 71 71 THR CB C 71 69.870 68.631 1.239 1
1 853 . 5 1 1 A 71 71 THR N N 71 123.630 124.013 -0.383 1
1 854 . 5 1 1 A 72 72 THR H H 72 9.090 8.334 0.756 1
1 855 . 5 1 1 A 72 72 THR HA H 72 4.350 4.742 -0.392 1
1 860 . 5 1 1 A 72 72 THR C C 72 177.400 175.846 1.554 1
1 861 . 5 1 1 A 72 72 THR CA C 72 61.460 60.825 0.635 1
1 862 . 5 1 1 A 72 72 THR CB C 72 69.870 70.397 -0.527 1
1 864 . 5 1 1 A 72 72 THR N N 72 116.880 121.158 -4.278 1
1 865 . 5 1 1 A 73 73 MET HA H 73 4.140 4.262 -0.122 1
1 873 . 5 1 1 A 73 73 MET C C 73 176.100 177.479 -1.379 1
1 874 . 5 1 1 A 73 73 MET CA C 73 58.700 57.524 1.176 1
1 875 . 5 1 1 A 73 73 MET CB C 73 33.480 32.482 0.998 1
1 877 . 5 1 1 A 74 74 ASP H H 74 8.590 7.972 0.618 1
1 878 . 5 1 1 A 74 74 ASP HA H 74 4.637 4.627 0.010 1
1 881 . 5 1 1 A 74 74 ASP C C 74 175.130 176.764 -1.634 1
1 882 . 5 1 1 A 74 74 ASP CA C 74 52.850 54.141 -1.291 1
1 883 . 5 1 1 A 74 74 ASP CB C 74 39.350 40.916 -1.566 1
1 884 . 5 1 1 A 74 74 ASP N N 74 112.930 118.567 -5.637 1
1 885 . 5 1 1 A 75 75 GLY H H 75 7.980 8.474 -0.494 1
1 886 . 5 1 1 A 75 75 GLY HA2 H 75 3.660 3.941 -0.281 1
1 887 . 5 1 1 A 75 75 GLY HA3 H 75 4.160 3.941 0.219 1
1 888 . 5 1 1 A 75 75 GLY C C 75 174.725 173.457 1.268 1
1 889 . 5 1 1 A 75 75 GLY CA C 75 45.800 45.683 0.117 1
1 890 . 5 1 1 A 75 75 GLY N N 75 107.880 109.934 -2.054 1
1 891 . 5 1 1 A 76 76 LYS H H 76 7.850 7.919 -0.069 1
1 892 . 5 1 1 A 76 76 LYS HA H 76 4.396 4.869 -0.473 1
1 898 . 5 1 1 A 76 76 LYS C C 76 174.820 175.202 -0.382 1
1 899 . 5 1 1 A 76 76 LYS CA C 76 55.780 54.342 1.438 1
1 900 . 5 1 1 A 76 76 LYS CB C 76 32.890 35.088 -2.198 1
1 904 . 5 1 1 A 76 76 LYS N N 76 121.380 120.629 0.751 1
1 905 . 5 1 1 A 77 77 LYS H H 77 8.210 8.816 -0.606 1
1 906 . 5 1 1 A 77 77 LYS HA H 77 5.410 5.116 0.294 1
1 912 . 5 1 1 A 77 77 LYS C C 77 176.200 175.674 0.526 1
1 913 . 5 1 1 A 77 77 LYS CA C 77 54.600 54.925 -0.325 1
1 914 . 5 1 1 A 77 77 LYS CB C 77 34.060 34.780 -0.720 1
1 918 . 5 1 1 A 77 77 LYS N N 77 119.130 123.374 -4.244 1
1 919 . 5 1 1 A 78 78 LEU H H 78 9.310 8.908 0.402 1
1 920 . 5 1 1 A 78 78 LEU HA H 78 4.790 5.192 -0.402 1
1 929 . 5 1 1 A 78 78 LEU C C 78 175.100 175.058 0.042 1
1 930 . 5 1 1 A 78 78 LEU CA C 78 54.000 53.550 0.450 1
1 931 . 5 1 1 A 78 78 LEU CB C 78 44.630 45.787 -1.157 1
1 935 . 5 1 1 A 78 78 LEU N N 78 123.630 124.695 -1.065 1
1 936 . 5 1 1 A 79 79 LYS H H 79 8.430 8.705 -0.275 1
1 937 . 5 1 1 A 79 79 LYS HA H 79 5.530 5.338 0.192 1
1 942 . 5 1 1 A 79 79 LYS CA C 79 54.020 54.359 -0.339 1
1 943 . 5 1 1 A 79 79 LYS CB C 79 32.890 35.767 -2.877 1
1 947 . 5 1 1 A 79 79 LYS N N 79 121.930 122.561 -0.631 1
1 948 . 5 1 1 A 80 80 CYS H H 80 8.910 8.739 0.171 1
1 949 . 5 1 1 A 80 80 CYS HA H 80 4.990 5.128 -0.138 1
1 952 . 5 1 1 A 80 80 CYS C C 80 175.870 172.489 3.381 1
1 953 . 5 1 1 A 80 80 CYS CA C 80 56.940 56.209 0.731 1
1 954 . 5 1 1 A 80 80 CYS CB C 80 31.130 32.179 -1.049 1
1 955 . 5 1 1 A 80 80 CYS N N 80 117.930 123.522 -5.592 1
1 956 . 5 1 1 A 81 81 THR H H 81 8.620 8.682 -0.062 1
1 957 . 5 1 1 A 81 81 THR HA H 81 5.210 5.033 0.177 1
1 962 . 5 1 1 A 81 81 THR C C 81 172.330 172.968 -0.638 1
1 963 . 5 1 1 A 81 81 THR CA C 81 61.070 61.715 -0.645 1
1 964 . 5 1 1 A 81 81 THR CB C 81 69.870 70.964 -1.094 1
1 966 . 5 1 1 A 81 81 THR N N 81 116.330 114.684 1.646 1
1 967 . 5 1 1 A 82 82 VAL H H 82 9.510 8.842 0.668 1
1 968 . 5 1 1 A 82 82 VAL HA H 82 4.313 4.781 -0.468 1
1 976 . 5 1 1 A 82 82 VAL C C 82 175.200 175.317 -0.117 1
1 977 . 5 1 1 A 82 82 VAL CA C 82 61.060 60.814 0.246 1
1 978 . 5 1 1 A 82 82 VAL CB C 82 32.300 33.369 -1.069 1
1 981 . 5 1 1 A 82 82 VAL N N 82 132.030 128.315 3.715 1
1 982 . 5 1 1 A 83 83 HIS H H 83 8.802 8.307 0.495 1
1 983 . 5 1 1 A 83 83 HIS HA H 83 4.973 5.758 -0.785 1
1 987 . 5 1 1 A 83 83 HIS C C 83 173.400 172.796 0.604 1
1 988 . 5 1 1 A 83 83 HIS CA C 83 55.020 53.532 1.488 1
1 989 . 5 1 1 A 83 83 HIS CB C 83 34.000 32.515 1.485 1
1 991 . 5 1 1 A 83 83 HIS N N 83 124.190 124.542 -0.352 1
1 992 . 5 1 1 A 84 84 LEU H H 84 8.833 8.901 -0.068 1
1 993 . 5 1 1 A 84 84 LEU HA H 84 5.355 4.740 0.615 1
1 1003 . 5 1 1 A 84 84 LEU C C 84 176.400 175.104 1.296 1
1 1004 . 5 1 1 A 84 84 LEU CA C 84 53.710 54.112 -0.402 1
1 1005 . 5 1 1 A 84 84 LEU CB C 84 44.050 43.200 0.850 1
1 1009 . 5 1 1 A 84 84 LEU N N 84 122.500 126.304 -3.804 1
1 1010 . 5 1 1 A 85 85 ALA H H 85 9.406 8.610 0.796 1
1 1011 . 5 1 1 A 85 85 ALA HA H 85 4.760 4.825 -0.065 1
1 1015 . 5 1 1 A 85 85 ALA C C 85 176.900 177.383 -0.483 1
1 1016 . 5 1 1 A 85 85 ALA CA C 85 51.080 50.419 0.661 1
1 1017 . 5 1 1 A 85 85 ALA CB C 85 20.460 20.745 -0.285 1
1 1018 . 5 1 1 A 85 85 ALA N N 85 130.380 129.550 0.830 1
1 1019 . 5 1 1 A 86 86 ASN HA H 86 4.450 4.449 0.001 1
1 1024 . 5 1 1 A 86 86 ASN C C 86 175.200 174.545 0.655 1
1 1025 . 5 1 1 A 86 86 ASN CA C 86 54.020 54.176 -0.156 1
1 1026 . 5 1 1 A 86 86 ASN CB C 86 34.790 37.503 -2.713 1
1 1028 . 5 1 1 A 87 87 GLY H H 87 8.600 8.545 0.055 1
1 1029 . 5 1 1 A 87 87 GLY HA2 H 87 3.757 3.928 -0.171 1
1 1030 . 5 1 1 A 87 87 GLY HA3 H 87 4.326 3.928 0.398 1
1 1031 . 5 1 1 A 87 87 GLY C C 87 172.970 173.783 -0.813 1
1 1032 . 5 1 1 A 87 87 GLY CA C 87 45.800 45.479 0.321 1
1 1033 . 5 1 1 A 87 87 GLY N N 87 102.830 104.601 -1.771 1
1 1034 . 5 1 1 A 88 88 LYS H H 88 7.927 7.670 0.257 1
1 1035 . 5 1 1 A 88 88 LYS HA H 88 5.108 4.367 0.741 1
1 1041 . 5 1 1 A 88 88 LYS C C 88 175.280 175.736 -0.456 1
1 1042 . 5 1 1 A 88 88 LYS CA C 88 54.590 55.801 -1.211 1
1 1043 . 5 1 1 A 88 88 LYS CB C 88 34.660 31.989 2.671 1
1 1047 . 5 1 1 A 88 88 LYS N N 88 120.230 120.618 -0.388 1
1 1048 . 5 1 1 A 89 89 LEU H H 89 8.610 9.051 -0.441 1
1 1049 . 5 1 1 A 89 89 LEU HA H 89 5.200 4.726 0.474 1
1 1058 . 5 1 1 A 89 89 LEU C C 89 175.400 175.746 -0.346 1
1 1059 . 5 1 1 A 89 89 LEU CA C 89 54.000 54.029 -0.029 1
1 1060 . 5 1 1 A 89 89 LEU CB C 89 41.700 40.280 1.420 1
1 1064 . 5 1 1 A 89 89 LEU N N 89 122.430 126.423 -3.993 1
1 1065 . 5 1 1 A 90 90 VAL H H 90 9.470 8.053 1.417 1
1 1066 . 5 1 1 A 90 90 VAL HA H 90 4.558 4.637 -0.079 1
1 1071 . 5 1 1 A 90 90 VAL C C 90 175.020 175.621 -0.601 1
1 1072 . 5 1 1 A 90 90 VAL CA C 90 61.200 61.436 -0.236 1
1 1073 . 5 1 1 A 90 90 VAL CB C 90 32.550 32.371 0.179 1
1 1075 . 5 1 1 A 90 90 VAL N N 90 122.500 124.073 -1.573 1
1 1076 . 5 1 1 A 91 91 THR H H 91 8.830 8.624 0.206 1
1 1077 . 5 1 1 A 91 91 THR HA H 91 4.760 4.906 -0.146 1
1 1082 . 5 1 1 A 91 91 THR C C 91 173.200 171.974 1.226 1
1 1083 . 5 1 1 A 91 91 THR CA C 91 62.190 60.377 1.813 1
1 1084 . 5 1 1 A 91 91 THR CB C 91 69.870 70.423 -0.553 1
1 1086 . 5 1 1 A 91 91 THR N N 91 124.190 118.721 5.469 1
1 1087 . 5 1 1 A 92 92 LYS H H 92 9.170 8.732 0.438 1
1 1088 . 5 1 1 A 92 92 LYS HA H 92 4.758 4.950 -0.192 1
1 1094 . 5 1 1 A 92 92 LYS C C 92 174.440 174.677 -0.237 1
1 1095 . 5 1 1 A 92 92 LYS CA C 92 55.180 55.830 -0.650 1
1 1096 . 5 1 1 A 92 92 LYS CB C 92 35.240 36.015 -0.775 1
1 1100 . 5 1 1 A 92 92 LYS N N 92 125.330 128.236 -2.906 1
1 1101 . 5 1 1 A 93 93 SER H H 93 8.320 8.774 -0.454 1
1 1103 . 5 1 1 A 93 93 SER C C 93 173.740 174.609 -0.869 1
1 1104 . 5 1 1 A 93 93 SER CA C 93 55.200 57.092 -1.892 1
1 1105 . 5 1 1 A 93 93 SER CB C 93 62.000 66.522 -4.522 1
1 1106 . 5 1 1 A 93 93 SER N N 93 118.030 120.892 -2.862 1
1 1107 . 5 1 1 A 94 94 GLU H H 94 8.760 8.732 0.028 1
1 1108 . 5 1 1 A 94 94 GLU HA H 94 4.310 4.074 0.236 1
1 1109 . 5 1 1 A 94 94 GLU CA C 94 54.100 60.335 -6.235 1
1 1110 . 5 1 1 A 94 94 GLU N N 94 120.810 122.150 -1.340 1
1 1118 . 5 1 1 A 95 95 LYS CB C 95 34.650 32.832 1.818 1
1 1122 . 5 1 1 A 96 96 PHE H H 96 7.140 8.031 -0.891 1
1 1123 . 5 1 1 A 96 96 PHE HA H 96 5.810 5.204 0.606 1
1 1128 . 5 1 1 A 96 96 PHE CA C 96 56.350 56.518 -0.168 1
1 1129 . 5 1 1 A 96 96 PHE CB C 96 43.460 42.424 1.036 1
1 1132 . 5 1 1 A 96 96 PHE N N 96 113.530 124.902 -11.372 1
1 1133 . 5 1 1 A 97 97 SER H H 97 8.660 8.020 0.640 1
1 1134 . 5 1 1 A 97 97 SER HA H 97 5.810 5.351 0.459 1
1 1137 . 5 1 1 A 97 97 SER CA C 97 57.540 56.883 0.657 1
1 1138 . 5 1 1 A 97 97 SER CB C 97 66.350 65.648 0.702 1
1 1139 . 5 1 1 A 97 97 SER N N 97 111.810 123.412 -11.602 1
1 1140 . 5 1 1 A 98 98 HIS H H 98 9.440 8.097 1.343 1
1 1141 . 5 1 1 A 98 98 HIS HA H 98 5.780 5.355 0.425 1
1 1145 . 5 1 1 A 98 98 HIS CA C 98 58.580 54.667 3.913 1
1 1146 . 5 1 1 A 98 98 HIS CB C 98 35.240 33.405 1.835 1
1 1147 . 5 1 1 A 98 98 HIS N N 98 125.830 124.937 0.893 1
1 1148 . 5 1 1 A 99 99 GLU HA H 99 5.410 5.026 0.384 1
1 1152 . 5 1 1 A 99 99 GLU CA C 99 54.600 54.415 0.185 1
1 1153 . 5 1 1 A 99 99 GLU CB C 99 34.060 33.559 0.501 1
1 1155 . 5 1 1 A 100 100 GLN H H 100 9.060 8.437 0.623 1
1 1156 . 5 1 1 A 100 100 GLN HA H 100 5.150 5.220 -0.070 1
1 1161 . 5 1 1 A 100 100 GLN CA C 100 53.000 54.180 -1.180 1
1 1162 . 5 1 1 A 100 100 GLN CB C 100 34.060 32.322 1.738 1
1 1163 . 5 1 1 A 100 100 GLN N N 100 124.730 122.473 2.257 1
1 1164 . 5 1 1 A 101 101 GLU H H 101 9.110 8.636 0.474 1
1 1165 . 5 1 1 A 101 101 GLU HA H 101 5.110 4.979 0.131 1
1 1168 . 5 1 1 A 101 101 GLU C C 101 173.630 175.187 -1.557 1
1 1169 . 5 1 1 A 101 101 GLU CA C 101 54.600 55.212 -0.612 1
1 1170 . 5 1 1 A 101 101 GLU CB C 101 33.480 30.760 2.720 1
1 1171 . 5 1 1 A 101 101 GLU N N 101 126.430 123.478 2.952 1
1 1172 . 5 1 1 A 102 102 VAL H H 102 8.900 8.852 0.048 1
1 1173 . 5 1 1 A 102 102 VAL HA H 102 4.650 4.691 -0.041 1
1 1181 . 5 1 1 A 102 102 VAL C C 102 175.060 175.045 0.015 1
1 1182 . 5 1 1 A 102 102 VAL CA C 102 61.020 61.952 -0.932 1
1 1183 . 5 1 1 A 102 102 VAL CB C 102 34.060 32.830 1.230 1
1 1186 . 5 1 1 A 102 102 VAL N N 102 125.310 125.491 -0.181 1
1 1187 . 5 1 1 A 103 103 LYS H H 103 9.007 9.065 -0.058 1
1 1188 . 5 1 1 A 103 103 LYS HA H 103 4.660 4.645 0.015 1
1 1194 . 5 1 1 A 103 103 LYS C C 103 176.600 176.556 0.044 1
1 1195 . 5 1 1 A 103 103 LYS CA C 103 55.180 55.086 0.094 1
1 1196 . 5 1 1 A 103 103 LYS CB C 103 33.480 34.087 -0.607 1
1 1200 . 5 1 1 A 103 103 LYS N N 103 129.210 126.482 2.728 1
1 1201 . 5 1 1 A 104 104 GLY H H 104 9.190 9.036 0.154 1
1 1202 . 5 1 1 A 104 104 GLY HA2 H 104 3.760 3.919 -0.159 1
1 1203 . 5 1 1 A 104 104 GLY HA3 H 104 4.080 3.919 0.161 1
1 1204 . 5 1 1 A 104 104 GLY C C 104 174.000 174.712 -0.712 1
1 1205 . 5 1 1 A 104 104 GLY CA C 104 47.380 47.428 -0.048 1
1 1206 . 5 1 1 A 104 104 GLY N N 104 117.410 115.967 1.443 1
1 1207 . 5 1 1 A 105 105 ASN H H 105 9.120 8.799 0.321 1
1 1208 . 5 1 1 A 105 105 ASN HA H 105 5.050 4.898 0.152 1
1 1213 . 5 1 1 A 105 105 ASN C C 105 173.440 173.892 -0.452 1
1 1214 . 5 1 1 A 105 105 ASN CA C 105 52.830 52.950 -0.120 1
1 1215 . 5 1 1 A 105 105 ASN CB C 105 39.350 39.628 -0.278 1
1 1216 . 5 1 1 A 105 105 ASN N N 105 126.410 124.492 1.918 1
1 1217 . 5 1 1 A 106 106 GLU H H 106 8.153 7.515 0.638 1
1 1218 . 5 1 1 A 106 106 GLU HA H 106 5.610 5.137 0.473 1
1 1223 . 5 1 1 A 106 106 GLU C C 106 173.490 174.281 -0.791 1
1 1224 . 5 1 1 A 106 106 GLU CA C 106 55.200 54.749 0.451 1
1 1225 . 5 1 1 A 106 106 GLU CB C 106 32.890 33.605 -0.715 1
1 1227 . 5 1 1 A 106 106 GLU N N 106 120.250 121.059 -0.809 1
1 1228 . 5 1 1 A 107 107 MET H H 107 8.970 9.426 -0.456 1
1 1229 . 5 1 1 A 107 107 MET HA H 107 5.137 5.108 0.029 1
1 1237 . 5 1 1 A 107 107 MET C C 107 174.790 174.398 0.392 1
1 1238 . 5 1 1 A 107 107 MET CA C 107 54.320 53.641 0.679 1
1 1239 . 5 1 1 A 107 107 MET CB C 107 35.830 34.487 1.343 1
1 1242 . 5 1 1 A 107 107 MET N N 107 124.190 126.093 -1.903 1
1 1243 . 5 1 1 A 108 108 VAL H H 108 9.140 9.574 -0.434 1
1 1244 . 5 1 1 A 108 108 VAL HA H 108 4.820 4.660 0.160 1
1 1249 . 5 1 1 A 108 108 VAL C C 108 175.200 175.480 -0.280 1
1 1250 . 5 1 1 A 108 108 VAL CA C 108 61.040 61.630 -0.590 1
1 1251 . 5 1 1 A 108 108 VAL CB C 108 34.070 32.525 1.545 1
1 1253 . 5 1 1 A 108 108 VAL N N 108 126.440 126.145 0.295 1
1 1254 . 5 1 1 A 109 109 GLU H H 109 9.169 9.149 0.020 1
1 1255 . 5 1 1 A 109 109 GLU HA H 109 5.440 5.155 0.285 1
1 1259 . 5 1 1 A 109 109 GLU C C 109 174.260 175.511 -1.251 1
1 1260 . 5 1 1 A 109 109 GLU CA C 109 53.700 54.877 -1.177 1
1 1261 . 5 1 1 A 109 109 GLU CB C 109 32.290 31.920 0.370 1
1 1263 . 5 1 1 A 109 109 GLU N N 109 128.110 127.016 1.094 1
1 1264 . 5 1 1 A 110 110 THR H H 110 8.920 8.570 0.350 1
1 1265 . 5 1 1 A 110 110 THR HA H 110 5.174 4.975 0.199 1
1 1270 . 5 1 1 A 110 110 THR C C 110 174.780 173.288 1.492 1
1 1271 . 5 1 1 A 110 110 THR CA C 110 60.700 61.572 -0.872 1
1 1272 . 5 1 1 A 110 110 THR CB C 110 69.870 71.061 -1.191 1
1 1274 . 5 1 1 A 110 110 THR N N 110 119.130 117.146 1.984 1
1 1275 . 5 1 1 A 111 111 ILE H H 111 9.410 8.582 0.828 1
1 1276 . 5 1 1 A 111 111 ILE HA H 111 5.320 4.771 0.549 1
1 1286 . 5 1 1 A 111 111 ILE C C 111 174.820 174.876 -0.056 1
1 1287 . 5 1 1 A 111 111 ILE CA C 111 60.310 59.653 0.657 1
1 1288 . 5 1 1 A 111 111 ILE CB C 111 40.520 41.333 -0.813 1
1 1292 . 5 1 1 A 111 111 ILE N N 111 128.110 126.130 1.980 1
1 1293 . 5 1 1 A 112 112 THR H H 112 9.346 8.226 1.120 1
1 1294 . 5 1 1 A 112 112 THR HA H 112 5.840 4.626 1.214 1
1 1299 . 5 1 1 A 112 112 THR C C 112 173.920 173.527 0.393 1
1 1300 . 5 1 1 A 112 112 THR CA C 112 61.070 61.904 -0.834 1
1 1301 . 5 1 1 A 112 112 THR CB C 112 70.460 68.242 2.218 1
1 1303 . 5 1 1 A 112 112 THR N N 112 123.630 123.022 0.608 1
1 1304 . 5 1 1 A 113 113 PHE H H 113 9.330 9.073 0.257 1
1 1305 . 5 1 1 A 113 113 PHE HA H 113 4.861 4.906 -0.045 1
1 1310 . 5 1 1 A 113 113 PHE C C 113 175.430 175.236 0.194 1
1 1311 . 5 1 1 A 113 113 PHE CA C 113 58.700 57.175 1.525 1
1 1312 . 5 1 1 A 113 113 PHE CB C 113 43.150 41.251 1.899 1
1 1315 . 5 1 1 A 113 113 PHE N N 113 125.330 127.025 -1.695 1
1 1316 . 5 1 1 A 114 114 GLY H H 114 8.485 9.741 -1.256 1
1 1317 . 5 1 1 A 114 114 GLY HA2 H 114 3.500 3.876 -0.376 1
1 1318 . 5 1 1 A 114 114 GLY HA3 H 114 3.500 3.876 -0.376 1
1 1319 . 5 1 1 A 114 114 GLY C C 114 175.180 175.544 -0.364 1
1 1320 . 5 1 1 A 114 114 GLY CA C 114 46.700 46.577 0.123 1
1 1321 . 5 1 1 A 114 114 GLY N N 114 115.730 114.209 1.521 1
1 1322 . 5 1 1 A 115 115 GLY H H 115 8.582 8.790 -0.208 1
1 1323 . 5 1 1 A 115 115 GLY HA2 H 115 3.637 3.923 -0.286 1
1 1324 . 5 1 1 A 115 115 GLY HA3 H 115 4.196 3.923 0.273 1
1 1325 . 5 1 1 A 115 115 GLY C C 115 173.680 173.303 0.377 1
1 1326 . 5 1 1 A 115 115 GLY CA C 115 44.480 45.492 -1.012 1
1 1327 . 5 1 1 A 115 115 GLY N N 115 105.040 108.217 -3.177 1
1 1328 . 5 1 1 A 116 116 VAL H H 116 8.199 7.522 0.677 1
1 1329 . 5 1 1 A 116 116 VAL HA H 116 4.353 4.663 -0.310 1
1 1337 . 5 1 1 A 116 116 VAL C C 116 174.100 174.176 -0.076 1
1 1338 . 5 1 1 A 116 116 VAL CA C 116 61.650 59.534 2.116 1
1 1339 . 5 1 1 A 116 116 VAL CB C 116 33.970 34.816 -0.846 1
1 1342 . 5 1 1 A 116 116 VAL N N 116 123.630 121.219 2.411 1
1 1343 . 5 1 1 A 117 117 THR H H 117 8.797 8.815 -0.018 1
1 1344 . 5 1 1 A 117 117 THR HA H 117 5.323 4.695 0.628 1
1 1349 . 5 1 1 A 117 117 THR C C 117 173.510 174.131 -0.621 1
1 1350 . 5 1 1 A 117 117 THR CA C 117 61.650 61.985 -0.335 1
1 1351 . 5 1 1 A 117 117 THR CB C 117 69.840 69.180 0.660 1
1 1353 . 5 1 1 A 117 117 THR N N 117 123.030 122.331 0.699 1
1 1354 . 5 1 1 A 118 118 LEU H H 118 9.491 9.251 0.240 1
1 1355 . 5 1 1 A 118 118 LEU HA H 118 4.800 4.719 0.081 1
1 1365 . 5 1 1 A 118 118 LEU C C 118 175.250 176.098 -0.848 1
1 1366 . 5 1 1 A 118 118 LEU CA C 118 53.420 54.237 -0.817 1
1 1367 . 5 1 1 A 118 118 LEU CB C 118 43.970 42.634 1.336 1
1 1371 . 5 1 1 A 118 118 LEU N N 118 131.530 127.460 4.070 1
1 1372 . 5 1 1 A 119 119 ILE H H 119 7.902 8.825 -0.923 1
1 1373 . 5 1 1 A 119 119 ILE HA H 119 5.127 4.760 0.367 1
1 1383 . 5 1 1 A 119 119 ILE C C 119 175.450 174.003 1.447 1
1 1384 . 5 1 1 A 119 119 ILE CA C 119 59.780 60.597 -0.817 1
1 1385 . 5 1 1 A 119 119 ILE CB C 119 39.350 39.801 -0.451 1
1 1389 . 5 1 1 A 119 119 ILE N N 119 125.320 124.602 0.718 1
1 1390 . 5 1 1 A 120 120 ARG H H 120 9.550 9.098 0.452 1
1 1391 . 5 1 1 A 120 120 ARG HA H 120 5.420 5.167 0.253 1
1 1395 . 5 1 1 A 120 120 ARG C C 120 174.890 174.452 0.438 1
1 1396 . 5 1 1 A 120 120 ARG CA C 120 54.610 54.235 0.375 1
1 1397 . 5 1 1 A 120 120 ARG CB C 120 34.060 33.256 0.804 1
1 1400 . 5 1 1 A 120 120 ARG N N 120 126.430 129.723 -3.293 1
1 1401 . 5 1 1 A 121 121 ARG H H 121 9.250 8.607 0.643 1
1 1402 . 5 1 1 A 121 121 ARG HA H 121 5.410 4.923 0.487 1
1 1409 . 5 1 1 A 121 121 ARG C C 121 174.780 175.002 -0.222 1
1 1410 . 5 1 1 A 121 121 ARG CA C 121 54.770 54.757 0.013 1
1 1411 . 5 1 1 A 121 121 ARG CB C 121 31.650 31.262 0.388 1
1 1414 . 5 1 1 A 121 121 ARG N N 121 128.130 126.548 1.582 1
1 1415 . 5 1 1 A 122 122 SER H H 122 9.617 9.024 0.593 1
1 1416 . 5 1 1 A 122 122 SER HA H 122 5.819 5.210 0.609 1
1 1419 . 5 1 1 A 122 122 SER C C 122 172.460 174.239 -1.779 1
1 1420 . 5 1 1 A 122 122 SER CA C 122 57.540 57.614 -0.074 1
1 1421 . 5 1 1 A 122 122 SER CB C 122 66.939 64.214 2.725 1
1 1422 . 5 1 1 A 122 122 SER N N 122 118.000 121.108 -3.108 1
1 1423 . 5 1 1 A 123 123 LYS H H 123 8.699 9.621 -0.922 1
1 1424 . 5 1 1 A 123 123 LYS HA H 123 5.801 5.019 0.782 1
1 1430 . 5 1 1 A 123 123 LYS C C 123 175.440 176.977 -1.537 1
1 1431 . 5 1 1 A 123 123 LYS CA C 123 53.430 54.784 -1.354 1
1 1432 . 5 1 1 A 123 123 LYS CB C 123 35.830 34.952 0.878 1
1 1436 . 5 1 1 A 123 123 LYS N N 123 120.260 123.785 -3.525 1
1 1437 . 5 1 1 A 124 124 ARG H H 124 8.256 8.480 -0.224 1
1 1438 . 5 1 1 A 124 124 ARG HA H 124 4.040 4.460 -0.420 1
1 1445 . 5 1 1 A 124 124 ARG C C 124 176.530 176.018 0.512 1
1 1446 . 5 1 1 A 124 124 ARG CA C 124 56.960 56.090 0.870 1
1 1447 . 5 1 1 A 124 124 ARG CB C 124 30.540 28.977 1.563 1
1 1450 . 5 1 1 A 124 124 ARG N N 124 124.780 119.210 5.570 1
1 7 . 6 1 1 A 2 2 PHE H H 2 8.500 8.750 -0.250 1
1 8 . 6 1 1 A 2 2 PHE HA H 2 4.440 4.672 -0.232 1
1 12 . 6 1 1 A 2 2 PHE C C 2 175.800 176.258 -0.458 1
1 13 . 6 1 1 A 2 2 PHE CA C 2 61.060 59.028 2.032 1
1 14 . 6 1 1 A 2 2 PHE CB C 2 40.690 39.326 1.364 1
1 16 . 6 1 1 A 2 2 PHE N N 2 115.730 115.992 -0.262 1
1 17 . 6 1 1 A 3 3 SER H H 3 8.110 8.174 -0.064 1
1 18 . 6 1 1 A 3 3 SER HA H 3 4.500 4.195 0.305 1
1 20 . 6 1 1 A 3 3 SER C C 3 174.470 174.489 -0.019 1
1 21 . 6 1 1 A 3 3 SER CA C 3 59.890 60.318 -0.428 1
1 22 . 6 1 1 A 3 3 SER CB C 3 60.610 63.614 -3.004 1
1 23 . 6 1 1 A 3 3 SER N N 3 111.250 113.345 -2.095 1
1 24 . 6 1 1 A 4 4 GLY H H 4 9.130 8.420 0.710 1
1 25 . 6 1 1 A 4 4 GLY HA2 H 4 4.081 4.209 -0.128 1
1 26 . 6 1 1 A 4 4 GLY HA3 H 4 3.896 4.209 -0.313 1
1 27 . 6 1 1 A 4 4 GLY C C 4 170.770 171.870 -1.100 1
1 28 . 6 1 1 A 4 4 GLY CA C 4 44.040 44.691 -0.651 1
1 29 . 6 1 1 A 4 4 GLY N N 4 111.720 110.975 0.745 1
1 30 . 6 1 1 A 5 5 THR H H 5 8.306 8.031 0.275 1
1 31 . 6 1 1 A 5 5 THR HA H 5 4.980 5.111 -0.131 1
1 36 . 6 1 1 A 5 5 THR C C 5 172.600 173.372 -0.772 1
1 37 . 6 1 1 A 5 5 THR CA C 5 62.800 61.590 1.210 1
1 38 . 6 1 1 A 5 5 THR CB C 5 68.690 70.661 -1.971 1
1 40 . 6 1 1 A 5 5 THR N N 5 117.930 115.069 2.861 1
1 41 . 6 1 1 A 6 6 TRP H H 6 9.590 9.497 0.093 1
1 42 . 6 1 1 A 6 6 TRP HA H 6 5.180 5.235 -0.055 1
1 51 . 6 1 1 A 6 6 TRP C C 6 175.170 174.935 0.235 1
1 52 . 6 1 1 A 6 6 TRP CA C 6 55.190 55.471 -0.281 1
1 53 . 6 1 1 A 6 6 TRP CB C 6 31.720 32.343 -0.623 1
1 58 . 6 1 1 A 6 6 TRP N N 6 127.530 126.434 1.096 1
1 59 . 6 1 1 A 7 7 GLN H H 7 9.359 9.421 -0.062 1
1 60 . 6 1 1 A 7 7 GLN HA H 7 5.052 4.992 0.060 1
1 67 . 6 1 1 A 7 7 GLN C C 7 175.870 175.522 0.348 1
1 68 . 6 1 1 A 7 7 GLN CA C 7 54.020 54.404 -0.384 1
1 69 . 6 1 1 A 7 7 GLN CB C 7 31.700 32.413 -0.713 1
1 71 . 6 1 1 A 7 7 GLN N N 7 122.500 122.632 -0.132 1
1 73 . 6 1 1 A 8 8 VAL H H 8 8.590 8.920 -0.330 1
1 74 . 6 1 1 A 8 8 VAL HA H 8 4.511 4.735 -0.224 1
1 82 . 6 1 1 A 8 8 VAL C C 8 175.850 175.176 0.674 1
1 83 . 6 1 1 A 8 8 VAL CA C 8 63.420 61.418 2.002 1
1 84 . 6 1 1 A 8 8 VAL CB C 8 31.720 33.375 -1.655 1
1 87 . 6 1 1 A 8 8 VAL N N 8 131.500 123.049 8.451 1
1 88 . 6 1 1 A 9 9 TYR H H 9 9.595 8.581 1.014 1
1 89 . 6 1 1 A 9 9 TYR HA H 9 5.184 5.368 -0.184 1
1 94 . 6 1 1 A 9 9 TYR C C 9 174.140 174.063 0.077 1
1 95 . 6 1 1 A 9 9 TYR CA C 9 56.370 55.700 0.670 1
1 96 . 6 1 1 A 9 9 TYR CB C 9 40.530 39.324 1.206 1
1 99 . 6 1 1 A 9 9 TYR N N 9 123.060 120.385 2.675 1
1 100 . 6 1 1 A 10 10 ALA H H 10 7.380 8.674 -1.294 1
1 101 . 6 1 1 A 10 10 ALA HA H 10 4.720 4.754 -0.034 1
1 105 . 6 1 1 A 10 10 ALA C C 10 175.100 175.899 -0.799 1
1 106 . 6 1 1 A 10 10 ALA CA C 10 51.660 51.361 0.299 1
1 107 . 6 1 1 A 10 10 ALA CB C 10 22.330 23.326 -0.996 1
1 108 . 6 1 1 A 10 10 ALA N N 10 125.830 124.658 1.172 1
1 109 . 6 1 1 A 11 11 GLN H H 11 8.761 8.651 0.110 1
1 110 . 6 1 1 A 11 11 GLN HA H 11 5.289 4.611 0.678 1
1 115 . 6 1 1 A 11 11 GLN C C 11 174.400 175.258 -0.858 1
1 116 . 6 1 1 A 11 11 GLN CA C 11 54.020 54.752 -0.732 1
1 117 . 6 1 1 A 11 11 GLN CB C 11 32.310 30.096 2.214 1
1 119 . 6 1 1 A 11 11 GLN N N 11 118.530 120.844 -2.314 1
1 120 . 6 1 1 A 12 12 GLU H H 12 9.353 7.572 1.781 1
1 121 . 6 1 1 A 12 12 GLU HA H 12 4.670 4.309 0.361 1
1 126 . 6 1 1 A 12 12 GLU C C 12 176.600 177.194 -0.594 1
1 127 . 6 1 1 A 12 12 GLU CA C 12 55.780 57.406 -1.626 1
1 128 . 6 1 1 A 12 12 GLU CB C 12 31.720 29.068 2.652 1
1 130 . 6 1 1 A 12 12 GLU N N 12 123.630 120.404 3.226 1
1 131 . 6 1 1 A 13 13 ASN H H 13 9.240 9.394 -0.154 1
1 132 . 6 1 1 A 13 13 ASN HA H 13 4.780 4.348 0.432 1
1 137 . 6 1 1 A 13 13 ASN C C 13 175.720 174.471 1.249 1
1 138 . 6 1 1 A 13 13 ASN CA C 13 54.010 54.574 -0.564 1
1 139 . 6 1 1 A 13 13 ASN CB C 13 44.800 36.553 8.247 1
1 140 . 6 1 1 A 13 13 ASN N N 13 117.430 121.889 -4.459 1
1 142 . 6 1 1 A 14 14 TYR HA H 14 4.540 4.383 0.157 1
1 147 . 6 1 1 A 14 14 TYR C C 14 177.100 178.655 -1.555 1
1 148 . 6 1 1 A 14 14 TYR CA C 14 59.890 61.351 -1.461 1
1 149 . 6 1 1 A 14 14 TYR CB C 14 39.350 39.100 0.250 1
1 152 . 6 1 1 A 14 14 TYR N N 14 118.530 118.101 0.429 1
1 153 . 6 1 1 A 15 15 GLU H H 15 8.970 8.529 0.441 1
1 154 . 6 1 1 A 15 15 GLU HA H 15 3.680 3.947 -0.267 1
1 157 . 6 1 1 A 15 15 GLU C C 15 179.100 178.717 0.383 1
1 158 . 6 1 1 A 15 15 GLU CA C 15 61.070 59.569 1.501 1
1 159 . 6 1 1 A 15 15 GLU CB C 15 28.200 28.742 -0.542 1
1 161 . 6 1 1 A 15 15 GLU N N 15 117.930 118.750 -0.820 1
1 162 . 6 1 1 A 16 16 GLU H H 16 9.020 8.199 0.821 1
1 163 . 6 1 1 A 16 16 GLU HA H 16 3.950 4.015 -0.065 1
1 167 . 6 1 1 A 16 16 GLU C C 16 179.200 179.196 0.004 1
1 168 . 6 1 1 A 16 16 GLU CA C 16 59.890 59.230 0.660 1
1 169 . 6 1 1 A 16 16 GLU CB C 16 28.200 29.474 -1.274 1
1 171 . 6 1 1 A 16 16 GLU N N 16 118.530 119.714 -1.184 1
1 172 . 6 1 1 A 17 17 PHE H H 17 8.490 8.042 0.448 1
1 173 . 6 1 1 A 17 17 PHE HA H 17 4.130 4.172 -0.042 1
1 178 . 6 1 1 A 17 17 PHE C C 17 176.000 177.170 -1.170 1
1 179 . 6 1 1 A 17 17 PHE CA C 17 62.240 61.069 1.171 1
1 180 . 6 1 1 A 17 17 PHE CB C 17 39.930 39.076 0.854 1
1 183 . 6 1 1 A 17 17 PHE N N 17 124.190 121.518 2.672 1
1 184 . 6 1 1 A 18 18 LEU H H 18 8.460 8.552 -0.092 1
1 185 . 6 1 1 A 18 18 LEU HA H 18 3.770 3.856 -0.086 1
1 195 . 6 1 1 A 18 18 LEU C C 18 179.500 179.042 0.458 1
1 196 . 6 1 1 A 18 18 LEU CA C 18 58.130 57.974 0.156 1
1 197 . 6 1 1 A 18 18 LEU CB C 18 41.100 41.624 -0.524 1
1 201 . 6 1 1 A 18 18 LEU N N 18 117.430 119.744 -2.314 1
1 202 . 6 1 1 A 19 19 LYS H H 19 7.760 7.927 -0.167 1
1 203 . 6 1 1 A 19 19 LYS HA H 19 4.120 4.244 -0.124 1
1 209 . 6 1 1 A 19 19 LYS C C 19 180.710 177.304 3.406 1
1 210 . 6 1 1 A 19 19 LYS CA C 19 58.720 58.263 0.457 1
1 211 . 6 1 1 A 19 19 LYS CB C 19 31.720 31.866 -0.146 1
1 215 . 6 1 1 A 19 19 LYS N N 19 116.830 116.977 -0.147 1
1 216 . 6 1 1 A 20 20 ALA H H 20 8.050 7.853 0.197 1
1 217 . 6 1 1 A 20 20 ALA HA H 20 4.270 4.397 -0.127 1
1 221 . 6 1 1 A 20 20 ALA C C 20 179.050 176.650 2.400 1
1 222 . 6 1 1 A 20 20 ALA CA C 20 54.600 51.634 2.966 1
1 223 . 6 1 1 A 20 20 ALA CB C 20 17.630 20.131 -2.501 1
1 224 . 6 1 1 A 20 20 ALA N N 20 125.880 120.641 5.239 1
1 225 . 6 1 1 A 21 21 LEU H H 21 7.330 7.287 0.043 1
1 226 . 6 1 1 A 21 21 LEU HA H 21 3.780 4.656 -0.876 1
1 236 . 6 1 1 A 21 21 LEU C C 21 175.540 176.882 -1.342 1
1 237 . 6 1 1 A 21 21 LEU CA C 21 55.200 52.125 3.075 1
1 238 . 6 1 1 A 21 21 LEU CB C 21 41.700 43.573 -1.873 1
1 242 . 6 1 1 A 21 21 LEU N N 21 115.750 119.054 -3.304 1
1 243 . 6 1 1 A 22 22 ALA H H 22 7.990 8.139 -0.149 1
1 244 . 6 1 1 A 22 22 ALA HA H 22 4.010 4.412 -0.402 1
1 248 . 6 1 1 A 22 22 ALA C C 22 177.000 176.059 0.941 1
1 249 . 6 1 1 A 22 22 ALA CA C 22 52.260 52.457 -0.197 1
1 250 . 6 1 1 A 22 22 ALA CB C 22 16.460 18.465 -2.005 1
1 251 . 6 1 1 A 22 22 ALA N N 22 118.000 124.190 -6.190 1
1 252 . 6 1 1 A 23 23 LEU H H 23 7.010 6.862 0.148 1
1 253 . 6 1 1 A 23 23 LEU HA H 23 4.440 4.542 -0.102 1
1 263 . 6 1 1 A 23 23 LEU C C 23 174.650 176.100 -1.450 1
1 264 . 6 1 1 A 23 23 LEU CA C 23 53.440 51.132 2.308 1
1 265 . 6 1 1 A 23 23 LEU CB C 23 41.700 42.377 -0.677 1
1 269 . 6 1 1 A 23 23 LEU N N 23 119.130 120.277 -1.147 1
1 270 . 6 1 1 A 24 24 PRO HA H 24 4.570 4.530 0.040 1
1 277 . 6 1 1 A 24 24 PRO C C 24 177.830 177.920 -0.090 1
1 278 . 6 1 1 A 24 24 PRO CA C 24 62.240 63.293 -1.053 1
1 279 . 6 1 1 A 24 24 PRO CB C 24 32.310 31.396 0.914 1
1 282 . 6 1 1 A 25 25 GLU H H 25 8.910 8.292 0.618 1
1 283 . 6 1 1 A 25 25 GLU HA H 25 3.900 4.233 -0.333 1
1 288 . 6 1 1 A 25 25 GLU C C 25 178.140 176.588 1.552 1
1 289 . 6 1 1 A 25 25 GLU CA C 25 59.890 58.378 1.512 1
1 290 . 6 1 1 A 25 25 GLU CB C 25 29.370 29.427 -0.057 1
1 292 . 6 1 1 A 25 25 GLU N N 25 122.500 118.858 3.642 1
1 293 . 6 1 1 A 26 26 ASP H H 26 9.000 8.634 0.366 1
1 294 . 6 1 1 A 26 26 ASP HA H 26 4.410 4.402 0.008 1
1 297 . 6 1 1 A 26 26 ASP C C 26 178.610 177.877 0.733 1
1 298 . 6 1 1 A 26 26 ASP CA C 26 56.370 56.941 -0.571 1
1 299 . 6 1 1 A 26 26 ASP CB C 26 39.350 41.705 -2.355 1
1 300 . 6 1 1 A 26 26 ASP N N 26 116.310 119.849 -3.539 1
1 301 . 6 1 1 A 27 27 LEU H H 27 7.440 7.712 -0.272 1
1 302 . 6 1 1 A 27 27 LEU HA H 27 4.400 4.306 0.094 1
1 312 . 6 1 1 A 27 27 LEU C C 27 178.480 177.652 0.828 1
1 313 . 6 1 1 A 27 27 LEU CA C 27 56.370 55.083 1.287 1
1 314 . 6 1 1 A 27 27 LEU CB C 27 41.210 41.562 -0.352 1
1 318 . 6 1 1 A 27 27 LEU N N 27 120.250 117.425 2.825 1
1 319 . 6 1 1 A 28 28 ILE H H 28 8.040 7.760 0.280 1
1 320 . 6 1 1 A 28 28 ILE HA H 28 3.430 3.588 -0.158 1
1 330 . 6 1 1 A 28 28 ILE C C 28 177.705 178.087 -0.382 1
1 331 . 6 1 1 A 28 28 ILE CA C 28 66.350 65.019 1.331 1
1 332 . 6 1 1 A 28 28 ILE CB C 28 37.000 37.142 -0.142 1
1 336 . 6 1 1 A 28 28 ILE N N 28 121.930 119.667 2.263 1
1 337 . 6 1 1 A 29 29 LYS H H 29 7.830 7.977 -0.147 1
1 338 . 6 1 1 A 29 29 LYS HA H 29 3.940 4.056 -0.116 1
1 344 . 6 1 1 A 29 29 LYS C C 29 179.200 178.682 0.518 1
1 345 . 6 1 1 A 29 29 LYS CA C 29 59.890 59.207 0.683 1
1 346 . 6 1 1 A 29 29 LYS CB C 29 31.700 31.954 -0.254 1
1 350 . 6 1 1 A 29 29 LYS N N 29 116.880 119.932 -3.052 1
1 351 . 6 1 1 A 30 30 MET H H 30 7.290 7.943 -0.653 1
1 352 . 6 1 1 A 30 30 MET HA H 30 4.268 4.300 -0.032 1
1 360 . 6 1 1 A 30 30 MET C C 30 177.710 178.190 -0.480 1
1 361 . 6 1 1 A 30 30 MET CA C 30 58.130 57.761 0.369 1
1 362 . 6 1 1 A 30 30 MET CB C 30 33.480 32.282 1.198 1
1 365 . 6 1 1 A 30 30 MET N N 30 116.880 119.374 -2.494 1
1 366 . 6 1 1 A 31 31 ALA H H 31 8.410 8.257 0.153 1
1 367 . 6 1 1 A 31 31 ALA HA H 31 4.180 3.888 0.292 1
1 371 . 6 1 1 A 31 31 ALA C C 31 180.650 179.938 0.712 1
1 372 . 6 1 1 A 31 31 ALA CA C 31 54.020 55.532 -1.512 1
1 373 . 6 1 1 A 31 31 ALA CB C 31 19.980 18.326 1.654 1
1 374 . 6 1 1 A 31 31 ALA N N 31 120.250 121.500 -1.250 1
1 375 . 6 1 1 A 32 32 ARG H H 32 8.000 8.233 -0.233 1
1 376 . 6 1 1 A 32 32 ARG HA H 32 4.130 4.180 -0.050 1
1 382 . 6 1 1 A 32 32 ARG C C 32 176.805 176.537 0.268 1
1 383 . 6 1 1 A 32 32 ARG CA C 32 60.480 57.789 2.691 1
1 384 . 6 1 1 A 32 32 ARG CB C 32 30.540 29.085 1.455 1
1 387 . 6 1 1 A 32 32 ARG N N 32 118.540 116.555 1.985 1
1 388 . 6 1 1 A 33 33 ASP H H 33 7.980 7.671 0.309 1
1 389 . 6 1 1 A 33 33 ASP HA H 33 4.970 4.783 0.187 1
1 392 . 6 1 1 A 33 33 ASP C C 33 175.990 176.788 -0.798 1
1 393 . 6 1 1 A 33 33 ASP CA C 33 54.000 53.756 0.244 1
1 394 . 6 1 1 A 33 33 ASP CB C 33 41.700 41.675 0.025 1
1 395 . 6 1 1 A 33 33 ASP N N 33 116.310 118.725 -2.415 1
1 396 . 6 1 1 A 34 34 ILE H H 34 7.550 7.541 0.009 1
1 397 . 6 1 1 A 34 34 ILE HA H 34 4.150 3.619 0.531 1
1 407 . 6 1 1 A 34 34 ILE C C 34 175.797 176.498 -0.701 1
1 408 . 6 1 1 A 34 34 ILE CA C 34 61.070 65.067 -3.997 1
1 409 . 6 1 1 A 34 34 ILE CB C 34 38.180 37.698 0.482 1
1 413 . 6 1 1 A 34 34 ILE N N 34 120.870 121.294 -0.424 1
1 414 . 6 1 1 A 35 35 LYS H H 35 8.990 8.146 0.844 1
1 415 . 6 1 1 A 35 35 LYS HA H 35 4.730 4.041 0.689 1
1 423 . 6 1 1 A 35 35 LYS C C 35 173.200 176.287 -3.087 1
1 424 . 6 1 1 A 35 35 LYS CA C 35 52.840 57.142 -4.302 1
1 425 . 6 1 1 A 35 35 LYS CB C 35 32.890 30.125 2.765 1
1 429 . 6 1 1 A 35 35 LYS N N 35 129.810 120.867 8.943 1
1 430 . 6 1 1 A 36 36 PRO HA H 36 4.730 4.637 0.093 1
1 436 . 6 1 1 A 36 36 PRO C C 36 173.900 176.614 -2.714 1
1 437 . 6 1 1 A 36 36 PRO CA C 36 62.800 62.499 0.301 1
1 438 . 6 1 1 A 36 36 PRO CB C 36 32.310 32.783 -0.473 1
1 441 . 6 1 1 A 37 37 ILE H H 37 8.400 8.365 0.035 1
1 442 . 6 1 1 A 37 37 ILE HA H 37 5.090 4.361 0.729 1
1 452 . 6 1 1 A 37 37 ILE C C 37 175.257 175.478 -0.221 1
1 453 . 6 1 1 A 37 37 ILE CA C 37 62.670 60.024 2.646 1
1 454 . 6 1 1 A 37 37 ILE CB C 37 40.520 39.077 1.443 1
1 458 . 6 1 1 A 37 37 ILE N N 37 121.380 117.929 3.451 1
1 459 . 6 1 1 A 38 38 VAL H H 38 9.550 9.317 0.233 1
1 460 . 6 1 1 A 38 38 VAL HA H 38 5.180 4.452 0.728 1
1 465 . 6 1 1 A 38 38 VAL C C 38 174.875 174.306 0.569 1
1 466 . 6 1 1 A 38 38 VAL CA C 38 61.060 61.369 -0.309 1
1 467 . 6 1 1 A 38 38 VAL CB C 38 34.650 32.031 2.619 1
1 469 . 6 1 1 A 38 38 VAL N N 38 128.690 123.798 4.892 1
1 470 . 6 1 1 A 39 39 GLU H H 39 9.710 8.682 1.028 1
1 471 . 6 1 1 A 39 39 GLU HA H 39 5.510 4.903 0.607 1
1 476 . 6 1 1 A 39 39 GLU C C 39 175.930 175.215 0.715 1
1 477 . 6 1 1 A 39 39 GLU CA C 39 54.020 55.232 -1.212 1
1 478 . 6 1 1 A 39 39 GLU CB C 39 31.700 31.354 0.346 1
1 480 . 6 1 1 A 39 39 GLU N N 39 128.130 128.520 -0.390 1
1 481 . 6 1 1 A 40 40 ILE H H 40 9.760 9.369 0.391 1
1 482 . 6 1 1 A 40 40 ILE HA H 40 5.130 4.727 0.403 1
1 492 . 6 1 1 A 40 40 ILE C C 40 175.960 174.052 1.908 1
1 493 . 6 1 1 A 40 40 ILE CA C 40 61.650 60.272 1.378 1
1 494 . 6 1 1 A 40 40 ILE CB C 40 40.520 38.818 1.702 1
1 498 . 6 1 1 A 40 40 ILE N N 40 126.430 128.788 -2.358 1
1 499 . 6 1 1 A 41 41 GLN H H 41 9.380 9.453 -0.073 1
1 500 . 6 1 1 A 41 41 GLN HA H 41 4.740 5.112 -0.372 1
1 506 . 6 1 1 A 41 41 GLN C C 41 173.420 173.485 -0.065 1
1 507 . 6 1 1 A 41 41 GLN CA C 41 54.590 53.790 0.800 1
1 508 . 6 1 1 A 41 41 GLN CB C 41 31.130 31.998 -0.868 1
1 510 . 6 1 1 A 41 41 GLN N N 41 128.130 129.203 -1.073 1
1 512 . 6 1 1 A 42 42 GLN H H 42 8.310 8.871 -0.561 1
1 513 . 6 1 1 A 42 42 GLN HA H 42 4.440 4.999 -0.559 1
1 520 . 6 1 1 A 42 42 GLN C C 42 174.500 176.552 -2.052 1
1 521 . 6 1 1 A 42 42 GLN CA C 42 54.020 54.041 -0.021 1
1 522 . 6 1 1 A 42 42 GLN CB C 42 29.960 32.043 -2.083 1
1 524 . 6 1 1 A 42 42 GLN N N 42 125.880 127.271 -1.391 1
1 526 . 6 1 1 A 43 43 LYS H H 43 8.290 8.413 -0.123 1
1 527 . 6 1 1 A 43 43 LYS HA H 43 4.420 4.710 -0.290 1
1 533 . 6 1 1 A 43 43 LYS C C 43 175.990 177.512 -1.522 1
1 534 . 6 1 1 A 43 43 LYS CA C 43 54.020 55.231 -1.211 1
1 535 . 6 1 1 A 43 43 LYS CB C 43 32.890 31.928 0.962 1
1 539 . 6 1 1 A 43 43 LYS N N 43 129.810 123.544 6.266 1
1 540 . 6 1 1 A 44 44 GLY H H 44 9.040 8.119 0.921 1
1 541 . 6 1 1 A 44 44 GLY HA2 H 44 3.660 4.086 -0.426 1
1 542 . 6 1 1 A 44 44 GLY HA3 H 44 4.020 4.086 -0.066 1
1 543 . 6 1 1 A 44 44 GLY C C 44 173.790 174.027 -0.237 1
1 544 . 6 1 1 A 44 44 GLY CA C 44 47.570 45.696 1.874 1
1 545 . 6 1 1 A 44 44 GLY N N 44 116.880 109.843 7.037 1
1 546 . 6 1 1 A 45 45 ASP H H 45 8.920 8.396 0.524 1
1 547 . 6 1 1 A 45 45 ASP HA H 45 4.920 4.773 0.147 1
1 550 . 6 1 1 A 45 45 ASP C C 45 174.220 175.535 -1.315 1
1 551 . 6 1 1 A 45 45 ASP CA C 45 54.000 55.234 -1.234 1
1 552 . 6 1 1 A 45 45 ASP CB C 45 38.420 42.251 -3.831 1
1 553 . 6 1 1 A 45 45 ASP N N 45 127.530 119.461 8.069 1
1 554 . 6 1 1 A 46 46 ASP H H 46 8.090 7.931 0.159 1
1 555 . 6 1 1 A 46 46 ASP HA H 46 5.290 4.755 0.535 1
1 558 . 6 1 1 A 46 46 ASP C C 46 174.779 175.549 -0.770 1
1 559 . 6 1 1 A 46 46 ASP CA C 46 54.020 53.865 0.155 1
1 560 . 6 1 1 A 46 46 ASP CB C 46 41.100 42.196 -1.096 1
1 561 . 6 1 1 A 46 46 ASP N N 46 120.250 119.235 1.015 1
1 562 . 6 1 1 A 47 47 PHE H H 47 9.360 8.907 0.453 1
1 563 . 6 1 1 A 47 47 PHE HA H 47 5.050 5.258 -0.208 1
1 568 . 6 1 1 A 47 47 PHE C C 47 176.260 174.287 1.973 1
1 569 . 6 1 1 A 47 47 PHE CA C 47 56.370 56.330 0.040 1
1 570 . 6 1 1 A 47 47 PHE CB C 47 42.870 39.886 2.984 1
1 573 . 6 1 1 A 47 47 PHE N N 47 122.500 120.337 2.163 1
1 574 . 6 1 1 A 48 48 VAL H H 48 8.580 9.333 -0.753 1
1 575 . 6 1 1 A 48 48 VAL HA H 48 5.140 4.532 0.608 1
1 583 . 6 1 1 A 48 48 VAL C C 48 175.370 175.288 0.082 1
1 584 . 6 1 1 A 48 48 VAL CA C 48 62.200 62.073 0.127 1
1 585 . 6 1 1 A 48 48 VAL CB C 48 33.200 32.502 0.698 1
1 588 . 6 1 1 A 48 48 VAL N N 48 121.930 124.868 -2.938 1
1 589 . 6 1 1 A 49 49 VAL H H 49 9.440 9.401 0.039 1
1 590 . 6 1 1 A 49 49 VAL HA H 49 5.140 4.971 0.169 1
1 598 . 6 1 1 A 49 49 VAL C C 49 175.840 174.791 1.049 1
1 599 . 6 1 1 A 49 49 VAL CA C 49 61.040 60.464 0.576 1
1 600 . 6 1 1 A 49 49 VAL CB C 49 33.660 34.759 -1.099 1
1 603 . 6 1 1 A 49 49 VAL N N 49 128.130 127.772 0.358 1
1 604 . 6 1 1 A 50 50 THR H H 50 9.810 8.805 1.005 1
1 605 . 6 1 1 A 50 50 THR HA H 50 5.530 5.053 0.477 1
1 610 . 6 1 1 A 50 50 THR C C 50 173.450 173.592 -0.142 1
1 611 . 6 1 1 A 50 50 THR CA C 50 61.070 61.794 -0.724 1
1 612 . 6 1 1 A 50 50 THR CB C 50 70.460 70.499 -0.039 1
1 614 . 6 1 1 A 50 50 THR N N 50 128.130 125.196 2.934 1
1 615 . 6 1 1 A 51 51 SER H H 51 9.380 9.200 0.180 1
1 616 . 6 1 1 A 51 51 SER HA H 51 5.380 5.105 0.275 1
1 618 . 6 1 1 A 51 51 SER C C 51 173.450 173.216 0.234 1
1 619 . 6 1 1 A 51 51 SER CA C 51 56.960 57.842 -0.882 1
1 620 . 6 1 1 A 51 51 SER CB C 51 64.590 64.577 0.013 1
1 621 . 6 1 1 A 51 51 SER N N 51 123.630 124.707 -1.077 1
1 622 . 6 1 1 A 52 52 LYS H H 52 9.610 8.860 0.750 1
1 623 . 6 1 1 A 52 52 LYS HA H 52 5.270 5.095 0.175 1
1 630 . 6 1 1 A 52 52 LYS C C 52 175.850 175.966 -0.116 1
1 631 . 6 1 1 A 52 52 LYS CA C 52 56.370 55.269 1.101 1
1 632 . 6 1 1 A 52 52 LYS CB C 52 33.140 34.697 -1.557 1
1 636 . 6 1 1 A 52 52 LYS N N 52 125.220 126.639 -1.419 1
1 637 . 6 1 1 A 53 53 THR H H 53 8.630 8.568 0.062 1
1 638 . 6 1 1 A 53 53 THR HA H 53 5.040 4.878 0.162 1
1 643 . 6 1 1 A 53 53 THR C C 53 172.990 173.942 -0.952 1
1 644 . 6 1 1 A 53 53 THR CA C 53 59.290 58.743 0.547 1
1 645 . 6 1 1 A 53 53 THR CB C 53 69.290 71.069 -1.779 1
1 647 . 6 1 1 A 53 53 THR N N 53 115.190 114.318 0.872 1
1 648 . 6 1 1 A 54 54 PRO HA H 54 4.390 4.534 -0.144 1
1 655 . 6 1 1 A 54 54 PRO C C 54 177.230 176.916 0.314 1
1 656 . 6 1 1 A 54 54 PRO CA C 54 65.760 63.417 2.343 1
1 657 . 6 1 1 A 54 54 PRO CB C 54 31.720 30.869 0.851 1
1 660 . 6 1 1 A 55 55 ARG H H 55 7.960 8.472 -0.512 1
1 661 . 6 1 1 A 55 55 ARG HA H 55 4.540 4.623 -0.083 1
1 668 . 6 1 1 A 55 55 ARG C C 55 175.430 175.325 0.105 1
1 669 . 6 1 1 A 55 55 ARG CA C 55 55.190 57.262 -2.072 1
1 670 . 6 1 1 A 55 55 ARG CB C 55 31.720 33.517 -1.797 1
1 673 . 6 1 1 A 55 55 ARG N N 55 111.250 119.750 -8.500 1
1 674 . 6 1 1 A 56 56 GLN H H 56 7.510 7.931 -0.421 1
1 675 . 6 1 1 A 56 56 GLN HA H 56 4.930 4.666 0.264 1
1 682 . 6 1 1 A 56 56 GLN C C 56 173.670 173.268 0.402 1
1 683 . 6 1 1 A 56 56 GLN CA C 56 58.390 54.754 3.636 1
1 684 . 6 1 1 A 56 56 GLN CB C 56 31.720 30.701 1.019 1
1 686 . 6 1 1 A 56 56 GLN N N 56 118.000 114.485 3.515 1
1 688 . 6 1 1 A 57 57 THR H H 57 8.630 8.538 0.092 1
1 689 . 6 1 1 A 57 57 THR HA H 57 5.530 4.930 0.600 1
1 694 . 6 1 1 A 57 57 THR C C 57 173.300 173.297 0.003 1
1 695 . 6 1 1 A 57 57 THR CA C 57 64.450 60.935 3.515 1
1 696 . 6 1 1 A 57 57 THR CB C 57 71.630 72.277 -0.647 1
1 698 . 6 1 1 A 57 57 THR N N 57 121.380 113.168 8.212 1
1 699 . 6 1 1 A 58 58 VAL H H 58 8.920 8.328 0.592 1
1 700 . 6 1 1 A 58 58 VAL HA H 58 5.100 4.769 0.331 1
1 705 . 6 1 1 A 58 58 VAL C C 58 173.800 173.121 0.679 1
1 706 . 6 1 1 A 58 58 VAL CA C 58 54.600 60.106 -5.506 1
1 707 . 6 1 1 A 58 58 VAL CB C 58 34.660 35.795 -1.135 1
1 709 . 6 1 1 A 58 58 VAL N N 58 125.320 121.327 3.993 1
1 710 . 6 1 1 A 59 59 THR H H 59 8.830 8.854 -0.024 1
1 711 . 6 1 1 A 59 59 THR HA H 59 5.320 5.136 0.184 1
1 716 . 6 1 1 A 59 59 THR C C 59 172.980 172.872 0.108 1
1 717 . 6 1 1 A 59 59 THR CA C 59 61.650 59.806 1.844 1
1 718 . 6 1 1 A 59 59 THR CB C 59 71.040 71.484 -0.444 1
1 720 . 6 1 1 A 59 59 THR N N 59 124.190 119.899 4.291 1
1 721 . 6 1 1 A 60 60 ASN H H 60 9.340 9.374 -0.034 1
1 722 . 6 1 1 A 60 60 ASN HA H 60 5.400 5.508 -0.108 1
1 727 . 6 1 1 A 60 60 ASN C C 60 172.850 174.073 -1.223 1
1 728 . 6 1 1 A 60 60 ASN CA C 60 52.260 51.807 0.453 1
1 729 . 6 1 1 A 60 60 ASN CB C 60 43.460 42.254 1.206 1
1 730 . 6 1 1 A 60 60 ASN N N 60 124.730 126.150 -1.420 1
1 732 . 6 1 1 A 61 61 SER H H 61 8.890 8.841 0.049 1
1 733 . 6 1 1 A 61 61 SER HA H 61 5.490 5.252 0.238 1
1 735 . 6 1 1 A 61 61 SER C C 61 172.560 173.423 -0.863 1
1 736 . 6 1 1 A 61 61 SER CA C 61 56.370 57.596 -1.226 1
1 737 . 6 1 1 A 61 61 SER CB C 61 65.600 65.526 0.074 1
1 738 . 6 1 1 A 61 61 SER N N 61 115.130 115.992 -0.862 1
1 739 . 6 1 1 A 62 62 PHE H H 62 8.330 8.421 -0.091 1
1 740 . 6 1 1 A 62 62 PHE HA H 62 5.060 5.734 -0.674 1
1 745 . 6 1 1 A 62 62 PHE C C 62 172.600 173.833 -1.233 1
1 746 . 6 1 1 A 62 62 PHE CA C 62 56.370 55.399 0.971 1
1 747 . 6 1 1 A 62 62 PHE CB C 62 40.520 42.611 -2.091 1
1 750 . 6 1 1 A 62 62 PHE N N 62 117.430 119.833 -2.403 1
1 751 . 6 1 1 A 63 63 THR H H 63 9.710 9.035 0.675 1
1 752 . 6 1 1 A 63 63 THR HA H 63 5.550 4.474 1.076 1
1 757 . 6 1 1 A 63 63 THR C C 63 175.450 174.246 1.204 1
1 758 . 6 1 1 A 63 63 THR CA C 63 61.060 62.800 -1.740 1
1 759 . 6 1 1 A 63 63 THR CB C 63 71.630 69.096 2.534 1
1 761 . 6 1 1 A 63 63 THR N N 63 119.630 118.316 1.314 1
1 762 . 6 1 1 A 64 64 LEU H H 64 9.250 8.796 0.454 1
1 763 . 6 1 1 A 64 64 LEU HA H 64 4.410 3.908 0.502 1
1 773 . 6 1 1 A 64 64 LEU C C 64 178.310 177.700 0.610 1
1 774 . 6 1 1 A 64 64 LEU CA C 64 56.370 56.505 -0.135 1
1 775 . 6 1 1 A 64 64 LEU CB C 64 41.700 41.064 0.636 1
1 779 . 6 1 1 A 64 64 LEU N N 64 126.430 128.112 -1.682 1
1 780 . 6 1 1 A 65 65 GLY H H 65 9.121 8.935 0.186 1
1 781 . 6 1 1 A 65 65 GLY HA2 H 65 4.280 4.041 0.239 1
1 782 . 6 1 1 A 65 65 GLY HA3 H 65 3.240 4.041 -0.801 1
1 783 . 6 1 1 A 65 65 GLY C C 65 173.200 173.380 -0.180 1
1 784 . 6 1 1 A 65 65 GLY CA C 65 45.800 44.822 0.978 1
1 785 . 6 1 1 A 65 65 GLY N N 65 107.310 112.479 -5.169 1
1 786 . 6 1 1 A 66 66 LYS H H 66 7.990 7.664 0.326 1
1 787 . 6 1 1 A 66 66 LYS HA H 66 4.790 4.884 -0.094 1
1 793 . 6 1 1 A 66 66 LYS C C 66 175.500 174.927 0.573 1
1 794 . 6 1 1 A 66 66 LYS CA C 66 54.000 54.147 -0.147 1
1 795 . 6 1 1 A 66 66 LYS CB C 66 34.660 36.785 -2.125 1
1 799 . 6 1 1 A 66 66 LYS N N 66 120.820 119.717 1.103 1
1 800 . 6 1 1 A 67 67 GLU H H 67 8.880 8.610 0.270 1
1 801 . 6 1 1 A 67 67 GLU HA H 67 4.290 4.559 -0.269 1
1 805 . 6 1 1 A 67 67 GLU C C 67 174.820 176.048 -1.228 1
1 806 . 6 1 1 A 67 67 GLU CA C 67 58.720 56.846 1.874 1
1 807 . 6 1 1 A 67 67 GLU CB C 67 29.960 30.294 -0.334 1
1 808 . 6 1 1 A 67 67 GLU N N 67 129.250 121.746 7.504 1
1 809 . 6 1 1 A 68 68 ALA H H 68 9.430 8.590 0.840 1
1 810 . 6 1 1 A 68 68 ALA HA H 68 4.920 5.202 -0.282 1
1 814 . 6 1 1 A 68 68 ALA C C 68 175.630 175.160 0.470 1
1 815 . 6 1 1 A 68 68 ALA CA C 68 50.490 50.358 0.132 1
1 816 . 6 1 1 A 68 68 ALA CB C 68 22.910 24.266 -1.356 1
1 817 . 6 1 1 A 68 68 ALA N N 68 130.330 128.645 1.685 1
1 818 . 6 1 1 A 69 69 ASP H H 69 8.380 8.835 -0.455 1
1 819 . 6 1 1 A 69 69 ASP HA H 69 5.210 5.426 -0.216 1
1 821 . 6 1 1 A 69 69 ASP C C 69 175.100 174.869 0.231 1
1 822 . 6 1 1 A 69 69 ASP CA C 69 53.440 52.535 0.905 1
1 823 . 6 1 1 A 69 69 ASP CB C 69 41.700 42.971 -1.271 1
1 824 . 6 1 1 A 69 69 ASP N N 69 119.630 118.691 0.939 1
1 825 . 6 1 1 A 70 70 ILE H H 70 9.120 9.534 -0.414 1
1 826 . 6 1 1 A 70 70 ILE HA H 70 4.540 4.949 -0.409 1
1 836 . 6 1 1 A 70 70 ILE C C 70 175.390 175.325 0.065 1
1 837 . 6 1 1 A 70 70 ILE CA C 70 56.960 60.075 -3.115 1
1 838 . 6 1 1 A 70 70 ILE CB C 70 38.760 40.542 -1.782 1
1 842 . 6 1 1 A 70 70 ILE N N 70 126.430 123.534 2.896 1
1 843 . 6 1 1 A 71 71 THR H H 71 9.460 9.467 -0.007 1
1 844 . 6 1 1 A 71 71 THR HA H 71 5.310 4.949 0.361 1
1 849 . 6 1 1 A 71 71 THR C C 71 174.985 173.449 1.536 1
1 850 . 6 1 1 A 71 71 THR CA C 71 61.650 61.733 -0.083 1
1 851 . 6 1 1 A 71 71 THR CB C 71 69.870 71.061 -1.191 1
1 853 . 6 1 1 A 71 71 THR N N 71 123.630 123.833 -0.203 1
1 854 . 6 1 1 A 72 72 THR H H 72 9.090 8.755 0.335 1
1 855 . 6 1 1 A 72 72 THR HA H 72 4.350 4.557 -0.207 1
1 860 . 6 1 1 A 72 72 THR C C 72 177.400 175.755 1.645 1
1 861 . 6 1 1 A 72 72 THR CA C 72 61.460 61.184 0.276 1
1 862 . 6 1 1 A 72 72 THR CB C 72 69.870 70.441 -0.571 1
1 864 . 6 1 1 A 72 72 THR N N 72 116.880 121.200 -4.320 1
1 865 . 6 1 1 A 73 73 MET HA H 73 4.140 4.264 -0.124 1
1 873 . 6 1 1 A 73 73 MET C C 73 176.100 176.224 -0.124 1
1 874 . 6 1 1 A 73 73 MET CA C 73 58.700 57.217 1.483 1
1 875 . 6 1 1 A 73 73 MET CB C 73 33.480 31.800 1.680 1
1 877 . 6 1 1 A 74 74 ASP H H 74 8.590 7.883 0.707 1
1 878 . 6 1 1 A 74 74 ASP HA H 74 4.637 4.506 0.131 1
1 881 . 6 1 1 A 74 74 ASP C C 74 175.130 176.845 -1.715 1
1 882 . 6 1 1 A 74 74 ASP CA C 74 52.850 53.435 -0.585 1
1 883 . 6 1 1 A 74 74 ASP CB C 74 39.350 40.271 -0.921 1
1 884 . 6 1 1 A 74 74 ASP N N 74 112.930 117.176 -4.246 1
1 885 . 6 1 1 A 75 75 GLY H H 75 7.980 7.986 -0.006 1
1 886 . 6 1 1 A 75 75 GLY HA2 H 75 3.660 3.980 -0.320 1
1 887 . 6 1 1 A 75 75 GLY HA3 H 75 4.160 3.980 0.180 1
1 888 . 6 1 1 A 75 75 GLY C C 75 174.725 174.212 0.513 1
1 889 . 6 1 1 A 75 75 GLY CA C 75 45.800 45.695 0.105 1
1 890 . 6 1 1 A 75 75 GLY N N 75 107.880 109.989 -2.109 1
1 891 . 6 1 1 A 76 76 LYS H H 76 7.850 8.149 -0.299 1
1 892 . 6 1 1 A 76 76 LYS HA H 76 4.396 4.507 -0.111 1
1 898 . 6 1 1 A 76 76 LYS C C 76 174.820 175.133 -0.313 1
1 899 . 6 1 1 A 76 76 LYS CA C 76 55.780 55.096 0.684 1
1 900 . 6 1 1 A 76 76 LYS CB C 76 32.890 34.108 -1.218 1
1 904 . 6 1 1 A 76 76 LYS N N 76 121.380 120.406 0.974 1
1 905 . 6 1 1 A 77 77 LYS H H 77 8.210 8.814 -0.604 1
1 906 . 6 1 1 A 77 77 LYS HA H 77 5.410 4.965 0.445 1
1 912 . 6 1 1 A 77 77 LYS C C 77 176.200 175.157 1.043 1
1 913 . 6 1 1 A 77 77 LYS CA C 77 54.600 55.233 -0.633 1
1 914 . 6 1 1 A 77 77 LYS CB C 77 34.060 33.899 0.161 1
1 918 . 6 1 1 A 77 77 LYS N N 77 119.130 124.894 -5.764 1
1 919 . 6 1 1 A 78 78 LEU H H 78 9.310 9.142 0.168 1
1 920 . 6 1 1 A 78 78 LEU HA H 78 4.790 4.996 -0.206 1
1 929 . 6 1 1 A 78 78 LEU C C 78 175.100 174.962 0.138 1
1 930 . 6 1 1 A 78 78 LEU CA C 78 54.000 53.735 0.265 1
1 931 . 6 1 1 A 78 78 LEU CB C 78 44.630 45.978 -1.348 1
1 935 . 6 1 1 A 78 78 LEU N N 78 123.630 125.933 -2.303 1
1 936 . 6 1 1 A 79 79 LYS H H 79 8.430 8.655 -0.225 1
1 937 . 6 1 1 A 79 79 LYS HA H 79 5.530 4.784 0.746 1
1 942 . 6 1 1 A 79 79 LYS CA C 79 54.020 55.627 -1.607 1
1 943 . 6 1 1 A 79 79 LYS CB C 79 32.890 33.355 -0.465 1
1 947 . 6 1 1 A 79 79 LYS N N 79 121.930 122.262 -0.332 1
1 948 . 6 1 1 A 80 80 CYS H H 80 8.910 8.829 0.081 1
1 949 . 6 1 1 A 80 80 CYS HA H 80 4.990 5.135 -0.145 1
1 952 . 6 1 1 A 80 80 CYS C C 80 175.870 172.987 2.883 1
1 953 . 6 1 1 A 80 80 CYS CA C 80 56.940 57.158 -0.218 1
1 954 . 6 1 1 A 80 80 CYS CB C 80 31.130 31.503 -0.373 1
1 955 . 6 1 1 A 80 80 CYS N N 80 117.930 119.079 -1.149 1
1 956 . 6 1 1 A 81 81 THR H H 81 8.620 8.768 -0.148 1
1 957 . 6 1 1 A 81 81 THR HA H 81 5.210 4.916 0.294 1
1 962 . 6 1 1 A 81 81 THR C C 81 172.330 174.157 -1.827 1
1 963 . 6 1 1 A 81 81 THR CA C 81 61.070 62.019 -0.949 1
1 964 . 6 1 1 A 81 81 THR CB C 81 69.870 69.601 0.269 1
1 966 . 6 1 1 A 81 81 THR N N 81 116.330 117.599 -1.269 1
1 967 . 6 1 1 A 82 82 VAL H H 82 9.510 9.029 0.481 1
1 968 . 6 1 1 A 82 82 VAL HA H 82 4.313 4.780 -0.467 1
1 976 . 6 1 1 A 82 82 VAL C C 82 175.200 174.029 1.171 1
1 977 . 6 1 1 A 82 82 VAL CA C 82 61.060 60.905 0.155 1
1 978 . 6 1 1 A 82 82 VAL CB C 82 32.300 33.488 -1.188 1
1 981 . 6 1 1 A 82 82 VAL N N 82 132.030 127.606 4.424 1
1 982 . 6 1 1 A 83 83 HIS H H 83 8.802 8.972 -0.170 1
1 983 . 6 1 1 A 83 83 HIS HA H 83 4.973 5.519 -0.546 1
1 987 . 6 1 1 A 83 83 HIS C C 83 173.400 173.655 -0.255 1
1 988 . 6 1 1 A 83 83 HIS CA C 83 55.020 53.432 1.588 1
1 989 . 6 1 1 A 83 83 HIS CB C 83 34.000 32.605 1.395 1
1 991 . 6 1 1 A 83 83 HIS N N 83 124.190 127.088 -2.898 1
1 992 . 6 1 1 A 84 84 LEU H H 84 8.833 8.679 0.154 1
1 993 . 6 1 1 A 84 84 LEU HA H 84 5.355 4.715 0.640 1
1 1003 . 6 1 1 A 84 84 LEU C C 84 176.400 175.022 1.378 1
1 1004 . 6 1 1 A 84 84 LEU CA C 84 53.710 54.072 -0.362 1
1 1005 . 6 1 1 A 84 84 LEU CB C 84 44.050 43.150 0.900 1
1 1009 . 6 1 1 A 84 84 LEU N N 84 122.500 128.979 -6.479 1
1 1010 . 6 1 1 A 85 85 ALA H H 85 9.406 8.919 0.487 1
1 1011 . 6 1 1 A 85 85 ALA HA H 85 4.760 4.807 -0.047 1
1 1015 . 6 1 1 A 85 85 ALA C C 85 176.900 177.539 -0.639 1
1 1016 . 6 1 1 A 85 85 ALA CA C 85 51.080 50.717 0.363 1
1 1017 . 6 1 1 A 85 85 ALA CB C 85 20.460 21.284 -0.824 1
1 1018 . 6 1 1 A 85 85 ALA N N 85 130.380 128.384 1.996 1
1 1019 . 6 1 1 A 86 86 ASN HA H 86 4.450 4.376 0.074 1
1 1024 . 6 1 1 A 86 86 ASN C C 86 175.200 174.621 0.579 1
1 1025 . 6 1 1 A 86 86 ASN CA C 86 54.020 54.183 -0.163 1
1 1026 . 6 1 1 A 86 86 ASN CB C 86 34.790 37.490 -2.700 1
1 1028 . 6 1 1 A 87 87 GLY H H 87 8.600 8.703 -0.103 1
1 1029 . 6 1 1 A 87 87 GLY HA2 H 87 3.757 3.957 -0.200 1
1 1030 . 6 1 1 A 87 87 GLY HA3 H 87 4.326 3.957 0.369 1
1 1031 . 6 1 1 A 87 87 GLY C C 87 172.970 174.168 -1.198 1
1 1032 . 6 1 1 A 87 87 GLY CA C 87 45.800 45.924 -0.124 1
1 1033 . 6 1 1 A 87 87 GLY N N 87 102.830 104.133 -1.303 1
1 1034 . 6 1 1 A 88 88 LYS H H 88 7.927 7.574 0.353 1
1 1035 . 6 1 1 A 88 88 LYS HA H 88 5.108 4.843 0.265 1
1 1041 . 6 1 1 A 88 88 LYS C C 88 175.280 174.541 0.739 1
1 1042 . 6 1 1 A 88 88 LYS CA C 88 54.590 55.031 -0.441 1
1 1043 . 6 1 1 A 88 88 LYS CB C 88 34.660 35.592 -0.932 1
1 1047 . 6 1 1 A 88 88 LYS N N 88 120.230 120.273 -0.043 1
1 1048 . 6 1 1 A 89 89 LEU H H 89 8.610 8.868 -0.258 1
1 1049 . 6 1 1 A 89 89 LEU HA H 89 5.200 4.858 0.342 1
1 1058 . 6 1 1 A 89 89 LEU C C 89 175.400 175.811 -0.411 1
1 1059 . 6 1 1 A 89 89 LEU CA C 89 54.000 53.710 0.290 1
1 1060 . 6 1 1 A 89 89 LEU CB C 89 41.700 41.372 0.328 1
1 1064 . 6 1 1 A 89 89 LEU N N 89 122.430 128.634 -6.204 1
1 1065 . 6 1 1 A 90 90 VAL H H 90 9.470 8.954 0.516 1
1 1066 . 6 1 1 A 90 90 VAL HA H 90 4.558 4.940 -0.382 1
1 1071 . 6 1 1 A 90 90 VAL C C 90 175.020 175.497 -0.477 1
1 1072 . 6 1 1 A 90 90 VAL CA C 90 61.200 61.186 0.014 1
1 1073 . 6 1 1 A 90 90 VAL CB C 90 32.550 33.102 -0.552 1
1 1075 . 6 1 1 A 90 90 VAL N N 90 122.500 126.268 -3.768 1
1 1076 . 6 1 1 A 91 91 THR H H 91 8.830 8.699 0.131 1
1 1077 . 6 1 1 A 91 91 THR HA H 91 4.760 4.863 -0.103 1
1 1082 . 6 1 1 A 91 91 THR C C 91 173.200 172.188 1.012 1
1 1083 . 6 1 1 A 91 91 THR CA C 91 62.190 60.406 1.784 1
1 1084 . 6 1 1 A 91 91 THR CB C 91 69.870 70.600 -0.730 1
1 1086 . 6 1 1 A 91 91 THR N N 91 124.190 120.376 3.814 1
1 1087 . 6 1 1 A 92 92 LYS H H 92 9.170 8.662 0.508 1
1 1088 . 6 1 1 A 92 92 LYS HA H 92 4.758 4.697 0.061 1
1 1094 . 6 1 1 A 92 92 LYS C C 92 174.440 174.124 0.316 1
1 1095 . 6 1 1 A 92 92 LYS CA C 92 55.180 56.100 -0.920 1
1 1096 . 6 1 1 A 92 92 LYS CB C 92 35.240 36.795 -1.555 1
1 1100 . 6 1 1 A 92 92 LYS N N 92 125.330 127.437 -2.107 1
1 1101 . 6 1 1 A 93 93 SER H H 93 8.320 9.303 -0.983 1
1 1103 . 6 1 1 A 93 93 SER C C 93 173.740 174.881 -1.141 1
1 1104 . 6 1 1 A 93 93 SER CA C 93 55.200 57.056 -1.856 1
1 1105 . 6 1 1 A 93 93 SER CB C 93 62.000 66.090 -4.090 1
1 1106 . 6 1 1 A 93 93 SER N N 93 118.030 121.992 -3.962 1
1 1107 . 6 1 1 A 94 94 GLU H H 94 8.760 8.595 0.165 1
1 1108 . 6 1 1 A 94 94 GLU HA H 94 4.310 4.088 0.222 1
1 1109 . 6 1 1 A 94 94 GLU CA C 94 54.100 60.021 -5.921 1
1 1110 . 6 1 1 A 94 94 GLU N N 94 120.810 122.389 -1.579 1
1 1118 . 6 1 1 A 95 95 LYS CB C 95 34.650 33.001 1.649 1
1 1122 . 6 1 1 A 96 96 PHE H H 96 7.140 8.042 -0.902 1
1 1123 . 6 1 1 A 96 96 PHE HA H 96 5.810 4.919 0.891 1
1 1128 . 6 1 1 A 96 96 PHE CA C 96 56.350 58.001 -1.651 1
1 1129 . 6 1 1 A 96 96 PHE CB C 96 43.460 42.778 0.682 1
1 1132 . 6 1 1 A 96 96 PHE N N 96 113.530 124.112 -10.582 1
1 1133 . 6 1 1 A 97 97 SER H H 97 8.660 8.118 0.542 1
1 1134 . 6 1 1 A 97 97 SER HA H 97 5.810 5.383 0.427 1
1 1137 . 6 1 1 A 97 97 SER CA C 97 57.540 56.586 0.954 1
1 1138 . 6 1 1 A 97 97 SER CB C 97 66.350 65.909 0.441 1
1 1139 . 6 1 1 A 97 97 SER N N 97 111.810 122.235 -10.425 1
1 1140 . 6 1 1 A 98 98 HIS H H 98 9.440 8.460 0.980 1
1 1141 . 6 1 1 A 98 98 HIS HA H 98 5.780 5.086 0.694 1
1 1145 . 6 1 1 A 98 98 HIS CA C 98 58.580 55.566 3.014 1
1 1146 . 6 1 1 A 98 98 HIS CB C 98 35.240 33.200 2.040 1
1 1147 . 6 1 1 A 98 98 HIS N N 98 125.830 123.674 2.156 1
1 1148 . 6 1 1 A 99 99 GLU HA H 99 5.410 5.126 0.284 1
1 1152 . 6 1 1 A 99 99 GLU CA C 99 54.600 54.533 0.067 1
1 1153 . 6 1 1 A 99 99 GLU CB C 99 34.060 32.791 1.269 1
1 1155 . 6 1 1 A 100 100 GLN H H 100 9.060 8.872 0.188 1
1 1156 . 6 1 1 A 100 100 GLN HA H 100 5.150 5.153 -0.003 1
1 1161 . 6 1 1 A 100 100 GLN CA C 100 53.000 54.106 -1.106 1
1 1162 . 6 1 1 A 100 100 GLN CB C 100 34.060 31.960 2.100 1
1 1163 . 6 1 1 A 100 100 GLN N N 100 124.730 123.590 1.140 1
1 1164 . 6 1 1 A 101 101 GLU H H 101 9.110 8.407 0.703 1
1 1165 . 6 1 1 A 101 101 GLU HA H 101 5.110 5.009 0.101 1
1 1168 . 6 1 1 A 101 101 GLU C C 101 173.630 174.437 -0.807 1
1 1169 . 6 1 1 A 101 101 GLU CA C 101 54.600 55.190 -0.590 1
1 1170 . 6 1 1 A 101 101 GLU CB C 101 33.480 33.202 0.278 1
1 1171 . 6 1 1 A 101 101 GLU N N 101 126.430 126.391 0.039 1
1 1172 . 6 1 1 A 102 102 VAL H H 102 8.900 8.959 -0.059 1
1 1173 . 6 1 1 A 102 102 VAL HA H 102 4.650 4.787 -0.137 1
1 1181 . 6 1 1 A 102 102 VAL C C 102 175.060 174.606 0.454 1
1 1182 . 6 1 1 A 102 102 VAL CA C 102 61.020 61.206 -0.186 1
1 1183 . 6 1 1 A 102 102 VAL CB C 102 34.060 34.392 -0.332 1
1 1186 . 6 1 1 A 102 102 VAL N N 102 125.310 126.091 -0.781 1
1 1187 . 6 1 1 A 103 103 LYS H H 103 9.007 9.252 -0.245 1
1 1188 . 6 1 1 A 103 103 LYS HA H 103 4.660 4.587 0.073 1
1 1194 . 6 1 1 A 103 103 LYS C C 103 176.600 176.553 0.047 1
1 1195 . 6 1 1 A 103 103 LYS CA C 103 55.180 55.066 0.114 1
1 1196 . 6 1 1 A 103 103 LYS CB C 103 33.480 33.410 0.070 1
1 1200 . 6 1 1 A 103 103 LYS N N 103 129.210 126.200 3.010 1
1 1201 . 6 1 1 A 104 104 GLY H H 104 9.190 8.969 0.221 1
1 1202 . 6 1 1 A 104 104 GLY HA2 H 104 3.760 3.913 -0.153 1
1 1203 . 6 1 1 A 104 104 GLY HA3 H 104 4.080 3.913 0.167 1
1 1204 . 6 1 1 A 104 104 GLY C C 104 174.000 174.674 -0.674 1
1 1205 . 6 1 1 A 104 104 GLY CA C 104 47.380 47.375 0.005 1
1 1206 . 6 1 1 A 104 104 GLY N N 104 117.410 116.201 1.209 1
1 1207 . 6 1 1 A 105 105 ASN H H 105 9.120 8.426 0.694 1
1 1208 . 6 1 1 A 105 105 ASN HA H 105 5.050 4.825 0.225 1
1 1213 . 6 1 1 A 105 105 ASN C C 105 173.440 174.998 -1.558 1
1 1214 . 6 1 1 A 105 105 ASN CA C 105 52.830 52.407 0.423 1
1 1215 . 6 1 1 A 105 105 ASN CB C 105 39.350 38.805 0.545 1
1 1216 . 6 1 1 A 105 105 ASN N N 105 126.410 123.679 2.731 1
1 1217 . 6 1 1 A 106 106 GLU H H 106 8.153 8.070 0.083 1
1 1218 . 6 1 1 A 106 106 GLU HA H 106 5.610 4.905 0.705 1
1 1223 . 6 1 1 A 106 106 GLU C C 106 173.490 174.735 -1.245 1
1 1224 . 6 1 1 A 106 106 GLU CA C 106 55.200 54.928 0.272 1
1 1225 . 6 1 1 A 106 106 GLU CB C 106 32.890 34.148 -1.258 1
1 1227 . 6 1 1 A 106 106 GLU N N 106 120.250 119.634 0.616 1
1 1228 . 6 1 1 A 107 107 MET H H 107 8.970 9.176 -0.206 1
1 1229 . 6 1 1 A 107 107 MET HA H 107 5.137 5.190 -0.053 1
1 1237 . 6 1 1 A 107 107 MET C C 107 174.790 174.591 0.199 1
1 1238 . 6 1 1 A 107 107 MET CA C 107 54.320 53.826 0.494 1
1 1239 . 6 1 1 A 107 107 MET CB C 107 35.830 35.237 0.593 1
1 1242 . 6 1 1 A 107 107 MET N N 107 124.190 123.243 0.947 1
1 1243 . 6 1 1 A 108 108 VAL H H 108 9.140 8.585 0.555 1
1 1244 . 6 1 1 A 108 108 VAL HA H 108 4.820 4.901 -0.081 1
1 1249 . 6 1 1 A 108 108 VAL C C 108 175.200 174.697 0.503 1
1 1250 . 6 1 1 A 108 108 VAL CA C 108 61.040 59.340 1.700 1
1 1251 . 6 1 1 A 108 108 VAL CB C 108 34.070 34.528 -0.458 1
1 1253 . 6 1 1 A 108 108 VAL N N 108 126.440 120.205 6.235 1
1 1254 . 6 1 1 A 109 109 GLU H H 109 9.169 8.967 0.202 1
1 1255 . 6 1 1 A 109 109 GLU HA H 109 5.440 5.043 0.397 1
1 1259 . 6 1 1 A 109 109 GLU C C 109 174.260 174.570 -0.310 1
1 1260 . 6 1 1 A 109 109 GLU CA C 109 53.700 54.522 -0.822 1
1 1261 . 6 1 1 A 109 109 GLU CB C 109 32.290 33.209 -0.919 1
1 1263 . 6 1 1 A 109 109 GLU N N 109 128.110 123.066 5.044 1
1 1264 . 6 1 1 A 110 110 THR H H 110 8.920 8.641 0.279 1
1 1265 . 6 1 1 A 110 110 THR HA H 110 5.174 5.115 0.059 1
1 1270 . 6 1 1 A 110 110 THR C C 110 174.780 174.145 0.635 1
1 1271 . 6 1 1 A 110 110 THR CA C 110 60.700 60.617 0.083 1
1 1272 . 6 1 1 A 110 110 THR CB C 110 69.870 70.384 -0.514 1
1 1274 . 6 1 1 A 110 110 THR N N 110 119.130 115.845 3.285 1
1 1275 . 6 1 1 A 111 111 ILE H H 111 9.410 9.031 0.379 1
1 1276 . 6 1 1 A 111 111 ILE HA H 111 5.320 4.805 0.515 1
1 1286 . 6 1 1 A 111 111 ILE C C 111 174.820 174.347 0.473 1
1 1287 . 6 1 1 A 111 111 ILE CA C 111 60.310 59.376 0.934 1
1 1288 . 6 1 1 A 111 111 ILE CB C 111 40.520 41.047 -0.527 1
1 1292 . 6 1 1 A 111 111 ILE N N 111 128.110 123.692 4.418 1
1 1293 . 6 1 1 A 112 112 THR H H 112 9.346 8.165 1.181 1
1 1294 . 6 1 1 A 112 112 THR HA H 112 5.840 4.666 1.174 1
1 1299 . 6 1 1 A 112 112 THR C C 112 173.920 173.873 0.047 1
1 1300 . 6 1 1 A 112 112 THR CA C 112 61.070 61.749 -0.679 1
1 1301 . 6 1 1 A 112 112 THR CB C 112 70.460 68.230 2.230 1
1 1303 . 6 1 1 A 112 112 THR N N 112 123.630 122.348 1.282 1
1 1304 . 6 1 1 A 113 113 PHE H H 113 9.330 8.544 0.786 1
1 1305 . 6 1 1 A 113 113 PHE HA H 113 4.861 4.967 -0.106 1
1 1310 . 6 1 1 A 113 113 PHE C C 113 175.430 176.053 -0.623 1
1 1311 . 6 1 1 A 113 113 PHE CA C 113 58.700 56.539 2.161 1
1 1312 . 6 1 1 A 113 113 PHE CB C 113 43.150 40.462 2.688 1
1 1315 . 6 1 1 A 113 113 PHE N N 113 125.330 126.457 -1.127 1
1 1316 . 6 1 1 A 114 114 GLY H H 114 8.485 9.188 -0.703 1
1 1317 . 6 1 1 A 114 114 GLY HA2 H 114 3.500 3.956 -0.456 1
1 1318 . 6 1 1 A 114 114 GLY HA3 H 114 3.500 3.956 -0.456 1
1 1319 . 6 1 1 A 114 114 GLY C C 114 175.180 174.627 0.553 1
1 1320 . 6 1 1 A 114 114 GLY CA C 114 46.700 47.161 -0.461 1
1 1321 . 6 1 1 A 114 114 GLY N N 114 115.730 114.680 1.050 1
1 1322 . 6 1 1 A 115 115 GLY H H 115 8.582 8.719 -0.137 1
1 1323 . 6 1 1 A 115 115 GLY HA2 H 115 3.637 4.133 -0.496 1
1 1324 . 6 1 1 A 115 115 GLY HA3 H 115 4.196 4.133 0.063 1
1 1325 . 6 1 1 A 115 115 GLY C C 115 173.680 173.759 -0.079 1
1 1326 . 6 1 1 A 115 115 GLY CA C 115 44.480 45.398 -0.918 1
1 1327 . 6 1 1 A 115 115 GLY N N 115 105.040 110.083 -5.043 1
1 1328 . 6 1 1 A 116 116 VAL H H 116 8.199 7.239 0.960 1
1 1329 . 6 1 1 A 116 116 VAL HA H 116 4.353 4.449 -0.096 1
1 1337 . 6 1 1 A 116 116 VAL C C 116 174.100 174.954 -0.854 1
1 1338 . 6 1 1 A 116 116 VAL CA C 116 61.650 60.384 1.266 1
1 1339 . 6 1 1 A 116 116 VAL CB C 116 33.970 33.850 0.120 1
1 1342 . 6 1 1 A 116 116 VAL N N 116 123.630 121.123 2.507 1
1 1343 . 6 1 1 A 117 117 THR H H 117 8.797 8.617 0.180 1
1 1344 . 6 1 1 A 117 117 THR HA H 117 5.323 4.893 0.430 1
1 1349 . 6 1 1 A 117 117 THR C C 117 173.510 173.953 -0.443 1
1 1350 . 6 1 1 A 117 117 THR CA C 117 61.650 62.013 -0.363 1
1 1351 . 6 1 1 A 117 117 THR CB C 117 69.840 69.541 0.299 1
1 1353 . 6 1 1 A 117 117 THR N N 117 123.030 122.094 0.936 1
1 1354 . 6 1 1 A 118 118 LEU H H 118 9.491 9.444 0.047 1
1 1355 . 6 1 1 A 118 118 LEU HA H 118 4.800 4.943 -0.143 1
1 1365 . 6 1 1 A 118 118 LEU C C 118 175.250 176.182 -0.932 1
1 1366 . 6 1 1 A 118 118 LEU CA C 118 53.420 53.730 -0.310 1
1 1367 . 6 1 1 A 118 118 LEU CB C 118 43.970 43.547 0.423 1
1 1371 . 6 1 1 A 118 118 LEU N N 118 131.530 128.250 3.280 1
1 1372 . 6 1 1 A 119 119 ILE H H 119 7.902 9.155 -1.253 1
1 1373 . 6 1 1 A 119 119 ILE HA H 119 5.127 4.623 0.504 1
1 1383 . 6 1 1 A 119 119 ILE C C 119 175.450 173.969 1.481 1
1 1384 . 6 1 1 A 119 119 ILE CA C 119 59.780 60.587 -0.807 1
1 1385 . 6 1 1 A 119 119 ILE CB C 119 39.350 39.469 -0.119 1
1 1389 . 6 1 1 A 119 119 ILE N N 119 125.320 125.325 -0.005 1
1 1390 . 6 1 1 A 120 120 ARG H H 120 9.550 9.300 0.250 1
1 1391 . 6 1 1 A 120 120 ARG HA H 120 5.420 5.017 0.403 1
1 1395 . 6 1 1 A 120 120 ARG C C 120 174.890 174.658 0.232 1
1 1396 . 6 1 1 A 120 120 ARG CA C 120 54.610 54.868 -0.258 1
1 1397 . 6 1 1 A 120 120 ARG CB C 120 34.060 31.939 2.121 1
1 1400 . 6 1 1 A 120 120 ARG N N 120 126.430 129.442 -3.012 1
1 1401 . 6 1 1 A 121 121 ARG H H 121 9.250 8.726 0.524 1
1 1402 . 6 1 1 A 121 121 ARG HA H 121 5.410 4.896 0.514 1
1 1409 . 6 1 1 A 121 121 ARG C C 121 174.780 174.684 0.096 1
1 1410 . 6 1 1 A 121 121 ARG CA C 121 54.770 54.486 0.284 1
1 1411 . 6 1 1 A 121 121 ARG CB C 121 31.650 31.985 -0.335 1
1 1414 . 6 1 1 A 121 121 ARG N N 121 128.130 128.600 -0.470 1
1 1415 . 6 1 1 A 122 122 SER H H 122 9.617 9.230 0.387 1
1 1416 . 6 1 1 A 122 122 SER HA H 122 5.819 5.317 0.502 1
1 1419 . 6 1 1 A 122 122 SER C C 122 172.460 174.273 -1.813 1
1 1420 . 6 1 1 A 122 122 SER CA C 122 57.540 57.227 0.313 1
1 1421 . 6 1 1 A 122 122 SER CB C 122 66.939 66.000 0.939 1
1 1422 . 6 1 1 A 122 122 SER N N 122 118.000 123.842 -5.842 1
1 1423 . 6 1 1 A 123 123 LYS H H 123 8.699 9.595 -0.896 1
1 1424 . 6 1 1 A 123 123 LYS HA H 123 5.801 5.031 0.770 1
1 1430 . 6 1 1 A 123 123 LYS C C 123 175.440 176.555 -1.115 1
1 1431 . 6 1 1 A 123 123 LYS CA C 123 53.430 54.372 -0.942 1
1 1432 . 6 1 1 A 123 123 LYS CB C 123 35.830 36.058 -0.228 1
1 1436 . 6 1 1 A 123 123 LYS N N 123 120.260 121.186 -0.926 1
1 1437 . 6 1 1 A 124 124 ARG H H 124 8.256 7.965 0.291 1
1 1438 . 6 1 1 A 124 124 ARG HA H 124 4.040 4.399 -0.359 1
1 1445 . 6 1 1 A 124 124 ARG C C 124 176.530 176.021 0.509 1
1 1446 . 6 1 1 A 124 124 ARG CA C 124 56.960 56.025 0.935 1
1 1447 . 6 1 1 A 124 124 ARG CB C 124 30.540 28.961 1.579 1
1 1450 . 6 1 1 A 124 124 ARG N N 124 124.780 119.429 5.351 1
1 7 . 7 1 1 A 2 2 PHE H H 2 8.500 8.765 -0.265 1
1 8 . 7 1 1 A 2 2 PHE HA H 2 4.440 nan 4.440 1
1 12 . 7 1 1 A 2 2 PHE C C 2 175.800 175.898 -0.098 1
1 13 . 7 1 1 A 2 2 PHE CA C 2 61.060 57.409 3.651 1
1 14 . 7 1 1 A 2 2 PHE CB C 2 40.690 39.586 1.104 1
1 16 . 7 1 1 A 2 2 PHE N N 2 115.730 120.446 -4.716 1
1 17 . 7 1 1 A 3 3 SER H H 3 8.110 7.729 0.381 1
1 18 . 7 1 1 A 3 3 SER HA H 3 4.500 nan 4.500 1
1 20 . 7 1 1 A 3 3 SER C C 3 174.470 174.666 -0.196 1
1 21 . 7 1 1 A 3 3 SER CA C 3 59.890 59.267 0.623 1
1 22 . 7 1 1 A 3 3 SER CB C 3 60.610 64.008 -3.398 1
1 23 . 7 1 1 A 3 3 SER N N 3 111.250 115.966 -4.716 1
1 24 . 7 1 1 A 4 4 GLY H H 4 9.130 8.564 0.566 1
1 25 . 7 1 1 A 4 4 GLY HA2 H 4 4.081 4.284 -0.203 1
1 26 . 7 1 1 A 4 4 GLY HA3 H 4 3.896 4.284 -0.388 1
1 27 . 7 1 1 A 4 4 GLY C C 4 170.770 171.803 -1.033 1
1 28 . 7 1 1 A 4 4 GLY CA C 4 44.040 44.866 -0.826 1
1 29 . 7 1 1 A 4 4 GLY N N 4 111.720 108.940 2.780 1
1 30 . 7 1 1 A 5 5 THR H H 5 8.306 7.989 0.317 1
1 31 . 7 1 1 A 5 5 THR HA H 5 4.980 nan 4.980 1
1 36 . 7 1 1 A 5 5 THR C C 5 172.600 173.442 -0.842 1
1 37 . 7 1 1 A 5 5 THR CA C 5 62.800 61.349 1.451 1
1 38 . 7 1 1 A 5 5 THR CB C 5 68.690 69.909 -1.219 1
1 40 . 7 1 1 A 5 5 THR N N 5 117.930 115.660 2.270 1
1 41 . 7 1 1 A 6 6 TRP H H 6 9.590 9.456 0.134 1
1 42 . 7 1 1 A 6 6 TRP HA H 6 5.180 nan 5.180 1
1 51 . 7 1 1 A 6 6 TRP C C 6 175.170 174.878 0.292 1
1 52 . 7 1 1 A 6 6 TRP CA C 6 55.190 55.421 -0.231 1
1 53 . 7 1 1 A 6 6 TRP CB C 6 31.720 32.591 -0.871 1
1 58 . 7 1 1 A 6 6 TRP N N 6 127.530 127.337 0.193 1
1 59 . 7 1 1 A 7 7 GLN H H 7 9.359 9.493 -0.134 1
1 60 . 7 1 1 A 7 7 GLN HA H 7 5.052 nan 5.052 1
1 67 . 7 1 1 A 7 7 GLN C C 7 175.870 175.131 0.739 1
1 68 . 7 1 1 A 7 7 GLN CA C 7 54.020 54.688 -0.668 1
1 69 . 7 1 1 A 7 7 GLN CB C 7 31.700 32.146 -0.446 1
1 71 . 7 1 1 A 7 7 GLN N N 7 122.500 122.594 -0.094 1
1 73 . 7 1 1 A 8 8 VAL H H 8 8.590 8.950 -0.360 1
1 74 . 7 1 1 A 8 8 VAL HA H 8 4.511 nan 4.511 1
1 82 . 7 1 1 A 8 8 VAL C C 8 175.850 174.849 1.001 1
1 83 . 7 1 1 A 8 8 VAL CA C 8 63.420 61.026 2.394 1
1 84 . 7 1 1 A 8 8 VAL CB C 8 31.720 33.172 -1.452 1
1 87 . 7 1 1 A 8 8 VAL N N 8 131.500 123.103 8.397 1
1 88 . 7 1 1 A 9 9 TYR H H 9 9.595 8.919 0.676 1
1 89 . 7 1 1 A 9 9 TYR HA H 9 5.184 nan 5.184 1
1 94 . 7 1 1 A 9 9 TYR C C 9 174.140 174.297 -0.157 1
1 95 . 7 1 1 A 9 9 TYR CA C 9 56.370 55.475 0.895 1
1 96 . 7 1 1 A 9 9 TYR CB C 9 40.530 40.778 -0.248 1
1 99 . 7 1 1 A 9 9 TYR N N 9 123.060 122.433 0.627 1
1 100 . 7 1 1 A 10 10 ALA H H 10 7.380 8.681 -1.301 1
1 101 . 7 1 1 A 10 10 ALA HA H 10 4.720 nan 4.720 1
1 105 . 7 1 1 A 10 10 ALA C C 10 175.100 176.250 -1.150 1
1 106 . 7 1 1 A 10 10 ALA CA C 10 51.660 51.506 0.154 1
1 107 . 7 1 1 A 10 10 ALA CB C 10 22.330 22.939 -0.609 1
1 108 . 7 1 1 A 10 10 ALA N N 10 125.830 124.162 1.668 1
1 109 . 7 1 1 A 11 11 GLN H H 11 8.761 8.603 0.158 1
1 110 . 7 1 1 A 11 11 GLN HA H 11 5.289 nan 5.289 1
1 115 . 7 1 1 A 11 11 GLN C C 11 174.400 175.074 -0.674 1
1 116 . 7 1 1 A 11 11 GLN CA C 11 54.020 55.581 -1.561 1
1 117 . 7 1 1 A 11 11 GLN CB C 11 32.310 31.738 0.572 1
1 119 . 7 1 1 A 11 11 GLN N N 11 118.530 121.283 -2.753 1
1 120 . 7 1 1 A 12 12 GLU H H 12 9.353 7.524 1.829 1
1 121 . 7 1 1 A 12 12 GLU HA H 12 4.670 nan 4.670 1
1 126 . 7 1 1 A 12 12 GLU C C 12 176.600 176.625 -0.025 1
1 127 . 7 1 1 A 12 12 GLU CA C 12 55.780 57.214 -1.434 1
1 128 . 7 1 1 A 12 12 GLU CB C 12 31.720 29.285 2.435 1
1 130 . 7 1 1 A 12 12 GLU N N 12 123.630 117.435 6.195 1
1 131 . 7 1 1 A 13 13 ASN H H 13 9.240 9.252 -0.012 1
1 132 . 7 1 1 A 13 13 ASN HA H 13 4.780 nan 4.780 1
1 137 . 7 1 1 A 13 13 ASN C C 13 175.720 174.963 0.757 1
1 138 . 7 1 1 A 13 13 ASN CA C 13 54.010 54.766 -0.756 1
1 139 . 7 1 1 A 13 13 ASN CB C 13 44.800 36.962 7.838 1
1 140 . 7 1 1 A 13 13 ASN N N 13 117.430 116.921 0.509 1
1 142 . 7 1 1 A 14 14 TYR HA H 14 4.540 nan 4.540 1
1 147 . 7 1 1 A 14 14 TYR C C 14 177.100 177.777 -0.677 1
1 148 . 7 1 1 A 14 14 TYR CA C 14 59.890 61.877 -1.987 1
1 149 . 7 1 1 A 14 14 TYR CB C 14 39.350 39.238 0.112 1
1 152 . 7 1 1 A 14 14 TYR N N 14 118.530 119.619 -1.089 1
1 153 . 7 1 1 A 15 15 GLU H H 15 8.970 8.509 0.461 1
1 154 . 7 1 1 A 15 15 GLU HA H 15 3.680 nan 3.680 1
1 157 . 7 1 1 A 15 15 GLU C C 15 179.100 178.951 0.149 1
1 158 . 7 1 1 A 15 15 GLU CA C 15 61.070 59.299 1.771 1
1 159 . 7 1 1 A 15 15 GLU CB C 15 28.200 28.909 -0.709 1
1 161 . 7 1 1 A 15 15 GLU N N 15 117.930 119.019 -1.089 1
1 162 . 7 1 1 A 16 16 GLU H H 16 9.020 8.450 0.570 1
1 163 . 7 1 1 A 16 16 GLU HA H 16 3.950 nan 3.950 1
1 167 . 7 1 1 A 16 16 GLU C C 16 179.200 179.410 -0.210 1
1 168 . 7 1 1 A 16 16 GLU CA C 16 59.890 59.401 0.489 1
1 169 . 7 1 1 A 16 16 GLU CB C 16 28.200 29.548 -1.348 1
1 171 . 7 1 1 A 16 16 GLU N N 16 118.530 120.377 -1.847 1
1 172 . 7 1 1 A 17 17 PHE H H 17 8.490 7.964 0.526 1
1 173 . 7 1 1 A 17 17 PHE HA H 17 4.130 nan 4.130 1
1 178 . 7 1 1 A 17 17 PHE C C 17 176.000 177.204 -1.204 1
1 179 . 7 1 1 A 17 17 PHE CA C 17 62.240 60.913 1.327 1
1 180 . 7 1 1 A 17 17 PHE CB C 17 39.930 39.453 0.477 1
1 183 . 7 1 1 A 17 17 PHE N N 17 124.190 120.783 3.407 1
1 184 . 7 1 1 A 18 18 LEU H H 18 8.460 8.002 0.458 1
1 185 . 7 1 1 A 18 18 LEU HA H 18 3.770 nan 3.770 1
1 195 . 7 1 1 A 18 18 LEU C C 18 179.500 178.414 1.086 1
1 196 . 7 1 1 A 18 18 LEU CA C 18 58.130 57.833 0.297 1
1 197 . 7 1 1 A 18 18 LEU CB C 18 41.100 41.425 -0.325 1
1 201 . 7 1 1 A 18 18 LEU N N 18 117.430 119.541 -2.111 1
1 202 . 7 1 1 A 19 19 LYS H H 19 7.760 8.210 -0.450 1
1 203 . 7 1 1 A 19 19 LYS HA H 19 4.120 nan 4.120 1
1 209 . 7 1 1 A 19 19 LYS C C 19 180.710 176.857 3.853 1
1 210 . 7 1 1 A 19 19 LYS CA C 19 58.720 57.216 1.504 1
1 211 . 7 1 1 A 19 19 LYS CB C 19 31.720 31.590 0.130 1
1 215 . 7 1 1 A 19 19 LYS N N 19 116.830 116.965 -0.135 1
1 216 . 7 1 1 A 20 20 ALA H H 20 8.050 7.906 0.144 1
1 217 . 7 1 1 A 20 20 ALA HA H 20 4.270 nan 4.270 1
1 221 . 7 1 1 A 20 20 ALA C C 20 179.050 176.273 2.777 1
1 222 . 7 1 1 A 20 20 ALA CA C 20 54.600 51.323 3.277 1
1 223 . 7 1 1 A 20 20 ALA CB C 20 17.630 20.610 -2.980 1
1 224 . 7 1 1 A 20 20 ALA N N 20 125.880 120.836 5.044 1
1 225 . 7 1 1 A 21 21 LEU H H 21 7.330 6.763 0.567 1
1 226 . 7 1 1 A 21 21 LEU HA H 21 3.780 nan 3.780 1
1 236 . 7 1 1 A 21 21 LEU C C 21 175.540 175.835 -0.295 1
1 237 . 7 1 1 A 21 21 LEU CA C 21 55.200 52.535 2.665 1
1 238 . 7 1 1 A 21 21 LEU CB C 21 41.700 44.102 -2.402 1
1 242 . 7 1 1 A 21 21 LEU N N 21 115.750 118.198 -2.448 1
1 243 . 7 1 1 A 22 22 ALA H H 22 7.990 8.424 -0.434 1
1 244 . 7 1 1 A 22 22 ALA HA H 22 4.010 nan 4.010 1
1 248 . 7 1 1 A 22 22 ALA C C 22 177.000 175.647 1.353 1
1 249 . 7 1 1 A 22 22 ALA CA C 22 52.260 52.680 -0.420 1
1 250 . 7 1 1 A 22 22 ALA CB C 22 16.460 18.765 -2.305 1
1 251 . 7 1 1 A 22 22 ALA N N 22 118.000 124.087 -6.087 1
1 252 . 7 1 1 A 23 23 LEU H H 23 7.010 7.397 -0.387 1
1 253 . 7 1 1 A 23 23 LEU HA H 23 4.440 nan 4.440 1
1 263 . 7 1 1 A 23 23 LEU C C 23 174.650 176.037 -1.387 1
1 264 . 7 1 1 A 23 23 LEU CA C 23 53.440 50.870 2.570 1
1 265 . 7 1 1 A 23 23 LEU CB C 23 41.700 42.974 -1.274 1
1 269 . 7 1 1 A 23 23 LEU N N 23 119.130 119.946 -0.816 1
1 270 . 7 1 1 A 24 24 PRO HA H 24 4.570 nan 4.570 1
1 277 . 7 1 1 A 24 24 PRO C C 24 177.830 177.681 0.149 1
1 278 . 7 1 1 A 24 24 PRO CA C 24 62.240 63.402 -1.162 1
1 279 . 7 1 1 A 24 24 PRO CB C 24 32.310 31.385 0.925 1
1 282 . 7 1 1 A 25 25 GLU H H 25 8.910 8.065 0.845 1
1 283 . 7 1 1 A 25 25 GLU HA H 25 3.900 nan 3.900 1
1 288 . 7 1 1 A 25 25 GLU C C 25 178.140 176.392 1.748 1
1 289 . 7 1 1 A 25 25 GLU CA C 25 59.890 58.294 1.596 1
1 290 . 7 1 1 A 25 25 GLU CB C 25 29.370 27.940 1.430 1
1 292 . 7 1 1 A 25 25 GLU N N 25 122.500 114.668 7.832 1
1 293 . 7 1 1 A 26 26 ASP H H 26 9.000 8.508 0.492 1
1 294 . 7 1 1 A 26 26 ASP HA H 26 4.410 nan 4.410 1
1 297 . 7 1 1 A 26 26 ASP C C 26 178.610 177.828 0.782 1
1 298 . 7 1 1 A 26 26 ASP CA C 26 56.370 57.188 -0.818 1
1 299 . 7 1 1 A 26 26 ASP CB C 26 39.350 41.860 -2.510 1
1 300 . 7 1 1 A 26 26 ASP N N 26 116.310 119.596 -3.286 1
1 301 . 7 1 1 A 27 27 LEU H H 27 7.440 7.895 -0.455 1
1 302 . 7 1 1 A 27 27 LEU HA H 27 4.400 nan 4.400 1
1 312 . 7 1 1 A 27 27 LEU C C 27 178.480 177.439 1.041 1
1 313 . 7 1 1 A 27 27 LEU CA C 27 56.370 54.904 1.466 1
1 314 . 7 1 1 A 27 27 LEU CB C 27 41.210 40.866 0.344 1
1 318 . 7 1 1 A 27 27 LEU N N 27 120.250 117.712 2.538 1
1 319 . 7 1 1 A 28 28 ILE H H 28 8.040 7.610 0.430 1
1 320 . 7 1 1 A 28 28 ILE HA H 28 3.430 nan 3.430 1
1 330 . 7 1 1 A 28 28 ILE C C 28 177.705 177.933 -0.228 1
1 331 . 7 1 1 A 28 28 ILE CA C 28 66.350 63.002 3.348 1
1 332 . 7 1 1 A 28 28 ILE CB C 28 37.000 37.641 -0.641 1
1 336 . 7 1 1 A 28 28 ILE N N 28 121.930 121.304 0.626 1
1 337 . 7 1 1 A 29 29 LYS H H 29 7.830 8.091 -0.261 1
1 338 . 7 1 1 A 29 29 LYS HA H 29 3.940 nan 3.940 1
1 344 . 7 1 1 A 29 29 LYS C C 29 179.200 179.316 -0.116 1
1 345 . 7 1 1 A 29 29 LYS CA C 29 59.890 59.233 0.657 1
1 346 . 7 1 1 A 29 29 LYS CB C 29 31.700 32.043 -0.343 1
1 350 . 7 1 1 A 29 29 LYS N N 29 116.880 122.104 -5.224 1
1 351 . 7 1 1 A 30 30 MET H H 30 7.290 7.897 -0.607 1
1 352 . 7 1 1 A 30 30 MET HA H 30 4.268 nan 4.268 1
1 360 . 7 1 1 A 30 30 MET C C 30 177.710 178.023 -0.313 1
1 361 . 7 1 1 A 30 30 MET CA C 30 58.130 57.911 0.219 1
1 362 . 7 1 1 A 30 30 MET CB C 30 33.480 32.311 1.169 1
1 365 . 7 1 1 A 30 30 MET N N 30 116.880 119.431 -2.551 1
1 366 . 7 1 1 A 31 31 ALA H H 31 8.410 7.782 0.628 1
1 367 . 7 1 1 A 31 31 ALA HA H 31 4.180 nan 4.180 1
1 371 . 7 1 1 A 31 31 ALA C C 31 180.650 179.562 1.088 1
1 372 . 7 1 1 A 31 31 ALA CA C 31 54.020 54.964 -0.944 1
1 373 . 7 1 1 A 31 31 ALA CB C 31 19.980 17.798 2.182 1
1 374 . 7 1 1 A 31 31 ALA N N 31 120.250 121.234 -0.984 1
1 375 . 7 1 1 A 32 32 ARG H H 32 8.000 7.620 0.380 1
1 376 . 7 1 1 A 32 32 ARG HA H 32 4.130 nan 4.130 1
1 382 . 7 1 1 A 32 32 ARG C C 32 176.805 177.014 -0.209 1
1 383 . 7 1 1 A 32 32 ARG CA C 32 60.480 57.968 2.512 1
1 384 . 7 1 1 A 32 32 ARG CB C 32 30.540 29.032 1.508 1
1 387 . 7 1 1 A 32 32 ARG N N 32 118.540 116.380 2.160 1
1 388 . 7 1 1 A 33 33 ASP H H 33 7.980 7.845 0.135 1
1 389 . 7 1 1 A 33 33 ASP HA H 33 4.970 nan 4.970 1
1 392 . 7 1 1 A 33 33 ASP C C 33 175.990 176.483 -0.493 1
1 393 . 7 1 1 A 33 33 ASP CA C 33 54.000 54.969 -0.969 1
1 394 . 7 1 1 A 33 33 ASP CB C 33 41.700 41.402 0.298 1
1 395 . 7 1 1 A 33 33 ASP N N 33 116.310 119.163 -2.853 1
1 396 . 7 1 1 A 34 34 ILE H H 34 7.550 7.215 0.335 1
1 397 . 7 1 1 A 34 34 ILE HA H 34 4.150 nan 4.150 1
1 407 . 7 1 1 A 34 34 ILE C C 34 175.797 174.991 0.806 1
1 408 . 7 1 1 A 34 34 ILE CA C 34 61.070 61.425 -0.355 1
1 409 . 7 1 1 A 34 34 ILE CB C 34 38.180 36.531 1.649 1
1 413 . 7 1 1 A 34 34 ILE N N 34 120.870 122.005 -1.135 1
1 414 . 7 1 1 A 35 35 LYS H H 35 8.990 8.338 0.652 1
1 415 . 7 1 1 A 35 35 LYS HA H 35 4.730 nan 4.730 1
1 423 . 7 1 1 A 35 35 LYS C C 35 173.200 173.786 -0.586 1
1 424 . 7 1 1 A 35 35 LYS CA C 35 52.840 53.838 -0.998 1
1 425 . 7 1 1 A 35 35 LYS CB C 35 32.890 33.429 -0.539 1
1 429 . 7 1 1 A 35 35 LYS N N 35 129.810 128.333 1.477 1
1 430 . 7 1 1 A 36 36 PRO HA H 36 4.730 nan 4.730 1
1 436 . 7 1 1 A 36 36 PRO C C 36 173.900 175.863 -1.963 1
1 437 . 7 1 1 A 36 36 PRO CA C 36 62.800 62.300 0.500 1
1 438 . 7 1 1 A 36 36 PRO CB C 36 32.310 33.122 -0.812 1
1 441 . 7 1 1 A 37 37 ILE H H 37 8.400 8.516 -0.116 1
1 442 . 7 1 1 A 37 37 ILE HA H 37 5.090 nan 5.090 1
1 452 . 7 1 1 A 37 37 ILE C C 37 175.257 175.630 -0.373 1
1 453 . 7 1 1 A 37 37 ILE CA C 37 62.670 60.818 1.852 1
1 454 . 7 1 1 A 37 37 ILE CB C 37 40.520 38.562 1.958 1
1 458 . 7 1 1 A 37 37 ILE N N 37 121.380 120.888 0.492 1
1 459 . 7 1 1 A 38 38 VAL H H 38 9.550 9.601 -0.051 1
1 460 . 7 1 1 A 38 38 VAL HA H 38 5.180 nan 5.180 1
1 465 . 7 1 1 A 38 38 VAL C C 38 174.875 175.182 -0.307 1
1 466 . 7 1 1 A 38 38 VAL CA C 38 61.060 61.929 -0.869 1
1 467 . 7 1 1 A 38 38 VAL CB C 38 34.650 32.363 2.287 1
1 469 . 7 1 1 A 38 38 VAL N N 38 128.690 129.272 -0.582 1
1 470 . 7 1 1 A 39 39 GLU H H 39 9.710 9.096 0.614 1
1 471 . 7 1 1 A 39 39 GLU HA H 39 5.510 nan 5.510 1
1 476 . 7 1 1 A 39 39 GLU C C 39 175.930 175.369 0.561 1
1 477 . 7 1 1 A 39 39 GLU CA C 39 54.020 55.514 -1.494 1
1 478 . 7 1 1 A 39 39 GLU CB C 39 31.700 30.063 1.637 1
1 480 . 7 1 1 A 39 39 GLU N N 39 128.130 127.397 0.733 1
1 481 . 7 1 1 A 40 40 ILE H H 40 9.760 8.870 0.890 1
1 482 . 7 1 1 A 40 40 ILE HA H 40 5.130 nan 5.130 1
1 492 . 7 1 1 A 40 40 ILE C C 40 175.960 175.416 0.544 1
1 493 . 7 1 1 A 40 40 ILE CA C 40 61.650 60.530 1.120 1
1 494 . 7 1 1 A 40 40 ILE CB C 40 40.520 38.721 1.799 1
1 498 . 7 1 1 A 40 40 ILE N N 40 126.430 126.326 0.104 1
1 499 . 7 1 1 A 41 41 GLN H H 41 9.380 9.037 0.343 1
1 500 . 7 1 1 A 41 41 GLN HA H 41 4.740 nan 4.740 1
1 506 . 7 1 1 A 41 41 GLN C C 41 173.420 173.499 -0.079 1
1 507 . 7 1 1 A 41 41 GLN CA C 41 54.590 54.160 0.430 1
1 508 . 7 1 1 A 41 41 GLN CB C 41 31.130 31.272 -0.142 1
1 510 . 7 1 1 A 41 41 GLN N N 41 128.130 126.997 1.133 1
1 512 . 7 1 1 A 42 42 GLN H H 42 8.310 8.734 -0.424 1
1 513 . 7 1 1 A 42 42 GLN HA H 42 4.440 nan 4.440 1
1 520 . 7 1 1 A 42 42 GLN C C 42 174.500 175.527 -1.027 1
1 521 . 7 1 1 A 42 42 GLN CA C 42 54.020 54.023 -0.003 1
1 522 . 7 1 1 A 42 42 GLN CB C 42 29.960 30.695 -0.735 1
1 524 . 7 1 1 A 42 42 GLN N N 42 125.880 125.116 0.764 1
1 526 . 7 1 1 A 43 43 LYS H H 43 8.290 8.527 -0.237 1
1 527 . 7 1 1 A 43 43 LYS HA H 43 4.420 nan 4.420 1
1 533 . 7 1 1 A 43 43 LYS C C 43 175.990 176.525 -0.535 1
1 534 . 7 1 1 A 43 43 LYS CA C 43 54.020 55.156 -1.136 1
1 535 . 7 1 1 A 43 43 LYS CB C 43 32.890 33.014 -0.124 1
1 539 . 7 1 1 A 43 43 LYS N N 43 129.810 127.390 2.420 1
1 540 . 7 1 1 A 44 44 GLY H H 44 9.040 7.869 1.171 1
1 541 . 7 1 1 A 44 44 GLY HA2 H 44 3.660 4.009 -0.349 1
1 542 . 7 1 1 A 44 44 GLY HA3 H 44 4.020 4.009 0.011 1
1 543 . 7 1 1 A 44 44 GLY C C 44 173.790 174.538 -0.748 1
1 544 . 7 1 1 A 44 44 GLY CA C 44 47.570 47.237 0.333 1
1 545 . 7 1 1 A 44 44 GLY N N 44 116.880 107.730 9.150 1
1 546 . 7 1 1 A 45 45 ASP H H 45 8.920 8.450 0.470 1
1 547 . 7 1 1 A 45 45 ASP HA H 45 4.920 nan 4.920 1
1 550 . 7 1 1 A 45 45 ASP C C 45 174.220 175.145 -0.925 1
1 551 . 7 1 1 A 45 45 ASP CA C 45 54.000 55.451 -1.451 1
1 552 . 7 1 1 A 45 45 ASP CB C 45 38.420 42.144 -3.724 1
1 553 . 7 1 1 A 45 45 ASP N N 45 127.530 125.167 2.363 1
1 554 . 7 1 1 A 46 46 ASP H H 46 8.090 7.766 0.324 1
1 555 . 7 1 1 A 46 46 ASP HA H 46 5.290 nan 5.290 1
1 558 . 7 1 1 A 46 46 ASP C C 46 174.779 174.398 0.381 1
1 559 . 7 1 1 A 46 46 ASP CA C 46 54.020 53.066 0.954 1
1 560 . 7 1 1 A 46 46 ASP CB C 46 41.100 44.300 -3.200 1
1 561 . 7 1 1 A 46 46 ASP N N 46 120.250 118.270 1.980 1
1 562 . 7 1 1 A 47 47 PHE H H 47 9.360 8.654 0.706 1
1 563 . 7 1 1 A 47 47 PHE HA H 47 5.050 nan 5.050 1
1 568 . 7 1 1 A 47 47 PHE C C 47 176.260 174.058 2.202 1
1 569 . 7 1 1 A 47 47 PHE CA C 47 56.370 56.346 0.024 1
1 570 . 7 1 1 A 47 47 PHE CB C 47 42.870 42.461 0.409 1
1 573 . 7 1 1 A 47 47 PHE N N 47 122.500 120.970 1.530 1
1 574 . 7 1 1 A 48 48 VAL H H 48 8.580 8.784 -0.204 1
1 575 . 7 1 1 A 48 48 VAL HA H 48 5.140 nan 5.140 1
1 583 . 7 1 1 A 48 48 VAL C C 48 175.370 174.799 0.571 1
1 584 . 7 1 1 A 48 48 VAL CA C 48 62.200 59.977 2.223 1
1 585 . 7 1 1 A 48 48 VAL CB C 48 33.200 34.545 -1.345 1
1 588 . 7 1 1 A 48 48 VAL N N 48 121.930 117.095 4.835 1
1 589 . 7 1 1 A 49 49 VAL H H 49 9.440 9.307 0.133 1
1 590 . 7 1 1 A 49 49 VAL HA H 49 5.140 nan 5.140 1
1 598 . 7 1 1 A 49 49 VAL C C 49 175.840 174.846 0.994 1
1 599 . 7 1 1 A 49 49 VAL CA C 49 61.040 60.767 0.273 1
1 600 . 7 1 1 A 49 49 VAL CB C 49 33.660 34.877 -1.217 1
1 603 . 7 1 1 A 49 49 VAL N N 49 128.130 125.052 3.078 1
1 604 . 7 1 1 A 50 50 THR H H 50 9.810 8.986 0.824 1
1 605 . 7 1 1 A 50 50 THR HA H 50 5.530 nan 5.530 1
1 610 . 7 1 1 A 50 50 THR C C 50 173.450 173.601 -0.151 1
1 611 . 7 1 1 A 50 50 THR CA C 50 61.070 61.904 -0.834 1
1 612 . 7 1 1 A 50 50 THR CB C 50 70.460 70.378 0.082 1
1 614 . 7 1 1 A 50 50 THR N N 50 128.130 124.946 3.184 1
1 615 . 7 1 1 A 51 51 SER H H 51 9.380 9.721 -0.341 1
1 616 . 7 1 1 A 51 51 SER HA H 51 5.380 nan 5.380 1
1 618 . 7 1 1 A 51 51 SER C C 51 173.450 173.418 0.032 1
1 619 . 7 1 1 A 51 51 SER CA C 51 56.960 57.745 -0.785 1
1 620 . 7 1 1 A 51 51 SER CB C 51 64.590 63.934 0.656 1
1 621 . 7 1 1 A 51 51 SER N N 51 123.630 125.837 -2.207 1
1 622 . 7 1 1 A 52 52 LYS H H 52 9.610 8.860 0.750 1
1 623 . 7 1 1 A 52 52 LYS HA H 52 5.270 nan 5.270 1
1 630 . 7 1 1 A 52 52 LYS C C 52 175.850 175.400 0.450 1
1 631 . 7 1 1 A 52 52 LYS CA C 52 56.370 55.270 1.100 1
1 632 . 7 1 1 A 52 52 LYS CB C 52 33.140 33.958 -0.818 1
1 636 . 7 1 1 A 52 52 LYS N N 52 125.220 123.702 1.518 1
1 637 . 7 1 1 A 53 53 THR H H 53 8.630 8.226 0.404 1
1 638 . 7 1 1 A 53 53 THR HA H 53 5.040 nan 5.040 1
1 643 . 7 1 1 A 53 53 THR C C 53 172.990 174.299 -1.309 1
1 644 . 7 1 1 A 53 53 THR CA C 53 59.290 58.581 0.709 1
1 645 . 7 1 1 A 53 53 THR CB C 53 69.290 69.767 -0.477 1
1 647 . 7 1 1 A 53 53 THR N N 53 115.190 116.935 -1.745 1
1 648 . 7 1 1 A 54 54 PRO HA H 54 4.390 nan 4.390 1
1 655 . 7 1 1 A 54 54 PRO C C 54 177.230 176.998 0.232 1
1 656 . 7 1 1 A 54 54 PRO CA C 54 65.760 63.894 1.866 1
1 657 . 7 1 1 A 54 54 PRO CB C 54 31.720 31.848 -0.128 1
1 660 . 7 1 1 A 55 55 ARG H H 55 7.960 7.993 -0.033 1
1 661 . 7 1 1 A 55 55 ARG HA H 55 4.540 nan 4.540 1
1 668 . 7 1 1 A 55 55 ARG C C 55 175.430 174.954 0.476 1
1 669 . 7 1 1 A 55 55 ARG CA C 55 55.190 57.234 -2.044 1
1 670 . 7 1 1 A 55 55 ARG CB C 55 31.720 33.532 -1.812 1
1 673 . 7 1 1 A 55 55 ARG N N 55 111.250 119.641 -8.391 1
1 674 . 7 1 1 A 56 56 GLN H H 56 7.510 7.924 -0.414 1
1 675 . 7 1 1 A 56 56 GLN HA H 56 4.930 nan 4.930 1
1 682 . 7 1 1 A 56 56 GLN C C 56 173.670 174.467 -0.797 1
1 683 . 7 1 1 A 56 56 GLN CA C 56 58.390 54.450 3.940 1
1 684 . 7 1 1 A 56 56 GLN CB C 56 31.720 33.433 -1.713 1
1 686 . 7 1 1 A 56 56 GLN N N 56 118.000 117.407 0.593 1
1 688 . 7 1 1 A 57 57 THR H H 57 8.630 8.574 0.056 1
1 689 . 7 1 1 A 57 57 THR HA H 57 5.530 nan 5.530 1
1 694 . 7 1 1 A 57 57 THR C C 57 173.300 173.299 0.001 1
1 695 . 7 1 1 A 57 57 THR CA C 57 64.450 61.454 2.996 1
1 696 . 7 1 1 A 57 57 THR CB C 57 71.630 71.922 -0.292 1
1 698 . 7 1 1 A 57 57 THR N N 57 121.380 116.185 5.195 1
1 699 . 7 1 1 A 58 58 VAL H H 58 8.920 8.381 0.539 1
1 700 . 7 1 1 A 58 58 VAL HA H 58 5.100 nan 5.100 1
1 705 . 7 1 1 A 58 58 VAL C C 58 173.800 173.807 -0.007 1
1 706 . 7 1 1 A 58 58 VAL CA C 58 54.600 60.347 -5.747 1
1 707 . 7 1 1 A 58 58 VAL CB C 58 34.660 35.109 -0.449 1
1 709 . 7 1 1 A 58 58 VAL N N 58 125.320 123.566 1.754 1
1 710 . 7 1 1 A 59 59 THR H H 59 8.830 8.739 0.091 1
1 711 . 7 1 1 A 59 59 THR HA H 59 5.320 nan 5.320 1
1 716 . 7 1 1 A 59 59 THR C C 59 172.980 172.957 0.023 1
1 717 . 7 1 1 A 59 59 THR CA C 59 61.650 62.011 -0.361 1
1 718 . 7 1 1 A 59 59 THR CB C 59 71.040 70.854 0.186 1
1 720 . 7 1 1 A 59 59 THR N N 59 124.190 122.931 1.259 1
1 721 . 7 1 1 A 60 60 ASN H H 60 9.340 9.834 -0.494 1
1 722 . 7 1 1 A 60 60 ASN HA H 60 5.400 nan 5.400 1
1 727 . 7 1 1 A 60 60 ASN C C 60 172.850 174.101 -1.251 1
1 728 . 7 1 1 A 60 60 ASN CA C 60 52.260 52.534 -0.274 1
1 729 . 7 1 1 A 60 60 ASN CB C 60 43.460 40.824 2.636 1
1 730 . 7 1 1 A 60 60 ASN N N 60 124.730 127.088 -2.358 1
1 732 . 7 1 1 A 61 61 SER H H 61 8.890 8.932 -0.042 1
1 733 . 7 1 1 A 61 61 SER HA H 61 5.490 nan 5.490 1
1 735 . 7 1 1 A 61 61 SER C C 61 172.560 173.218 -0.658 1
1 736 . 7 1 1 A 61 61 SER CA C 61 56.370 57.609 -1.239 1
1 737 . 7 1 1 A 61 61 SER CB C 61 65.600 65.459 0.141 1
1 738 . 7 1 1 A 61 61 SER N N 61 115.130 120.273 -5.143 1
1 739 . 7 1 1 A 62 62 PHE H H 62 8.330 8.515 -0.185 1
1 740 . 7 1 1 A 62 62 PHE HA H 62 5.060 nan 5.060 1
1 745 . 7 1 1 A 62 62 PHE C C 62 172.600 173.215 -0.615 1
1 746 . 7 1 1 A 62 62 PHE CA C 62 56.370 55.425 0.945 1
1 747 . 7 1 1 A 62 62 PHE CB C 62 40.520 42.637 -2.117 1
1 750 . 7 1 1 A 62 62 PHE N N 62 117.430 121.749 -4.319 1
1 751 . 7 1 1 A 63 63 THR H H 63 9.710 8.982 0.728 1
1 752 . 7 1 1 A 63 63 THR HA H 63 5.550 nan 5.550 1
1 757 . 7 1 1 A 63 63 THR C C 63 175.450 174.588 0.862 1
1 758 . 7 1 1 A 63 63 THR CA C 63 61.060 62.394 -1.334 1
1 759 . 7 1 1 A 63 63 THR CB C 63 71.630 69.829 1.801 1
1 761 . 7 1 1 A 63 63 THR N N 63 119.630 117.233 2.397 1
1 762 . 7 1 1 A 64 64 LEU H H 64 9.250 8.686 0.564 1
1 763 . 7 1 1 A 64 64 LEU HA H 64 4.410 nan 4.410 1
1 773 . 7 1 1 A 64 64 LEU C C 64 178.310 177.817 0.493 1
1 774 . 7 1 1 A 64 64 LEU CA C 64 56.370 56.552 -0.182 1
1 775 . 7 1 1 A 64 64 LEU CB C 64 41.700 41.554 0.146 1
1 779 . 7 1 1 A 64 64 LEU N N 64 126.430 127.485 -1.055 1
1 780 . 7 1 1 A 65 65 GLY H H 65 9.121 9.156 -0.035 1
1 781 . 7 1 1 A 65 65 GLY HA2 H 65 4.280 4.054 0.226 1
1 782 . 7 1 1 A 65 65 GLY HA3 H 65 3.240 4.054 -0.814 1
1 783 . 7 1 1 A 65 65 GLY C C 65 173.200 173.458 -0.258 1
1 784 . 7 1 1 A 65 65 GLY CA C 65 45.800 45.556 0.244 1
1 785 . 7 1 1 A 65 65 GLY N N 65 107.310 112.284 -4.974 1
1 786 . 7 1 1 A 66 66 LYS H H 66 7.990 7.564 0.426 1
1 787 . 7 1 1 A 66 66 LYS HA H 66 4.790 nan 4.790 1
1 793 . 7 1 1 A 66 66 LYS C C 66 175.500 175.061 0.439 1
1 794 . 7 1 1 A 66 66 LYS CA C 66 54.000 54.255 -0.255 1
1 795 . 7 1 1 A 66 66 LYS CB C 66 34.660 35.799 -1.139 1
1 799 . 7 1 1 A 66 66 LYS N N 66 120.820 119.722 1.098 1
1 800 . 7 1 1 A 67 67 GLU H H 67 8.880 8.639 0.241 1
1 801 . 7 1 1 A 67 67 GLU HA H 67 4.290 nan 4.290 1
1 805 . 7 1 1 A 67 67 GLU C C 67 174.820 176.179 -1.359 1
1 806 . 7 1 1 A 67 67 GLU CA C 67 58.720 56.876 1.844 1
1 807 . 7 1 1 A 67 67 GLU CB C 67 29.960 30.736 -0.776 1
1 808 . 7 1 1 A 67 67 GLU N N 67 129.250 121.309 7.941 1
1 809 . 7 1 1 A 68 68 ALA H H 68 9.430 8.698 0.732 1
1 810 . 7 1 1 A 68 68 ALA HA H 68 4.920 nan 4.920 1
1 814 . 7 1 1 A 68 68 ALA C C 68 175.630 174.512 1.118 1
1 815 . 7 1 1 A 68 68 ALA CA C 68 50.490 50.572 -0.082 1
1 816 . 7 1 1 A 68 68 ALA CB C 68 22.910 24.468 -1.558 1
1 817 . 7 1 1 A 68 68 ALA N N 68 130.330 127.682 2.648 1
1 818 . 7 1 1 A 69 69 ASP H H 69 8.380 9.030 -0.650 1
1 819 . 7 1 1 A 69 69 ASP HA H 69 5.210 nan 5.210 1
1 821 . 7 1 1 A 69 69 ASP C C 69 175.100 175.082 0.018 1
1 822 . 7 1 1 A 69 69 ASP CA C 69 53.440 52.940 0.500 1
1 823 . 7 1 1 A 69 69 ASP CB C 69 41.700 42.502 -0.802 1
1 824 . 7 1 1 A 69 69 ASP N N 69 119.630 119.770 -0.140 1
1 825 . 7 1 1 A 70 70 ILE H H 70 9.120 9.425 -0.305 1
1 826 . 7 1 1 A 70 70 ILE HA H 70 4.540 nan 4.540 1
1 836 . 7 1 1 A 70 70 ILE C C 70 175.390 175.310 0.080 1
1 837 . 7 1 1 A 70 70 ILE CA C 70 56.960 60.966 -4.006 1
1 838 . 7 1 1 A 70 70 ILE CB C 70 38.760 36.875 1.885 1
1 842 . 7 1 1 A 70 70 ILE N N 70 126.430 127.642 -1.212 1
1 843 . 7 1 1 A 71 71 THR H H 71 9.460 8.604 0.856 1
1 844 . 7 1 1 A 71 71 THR HA H 71 5.310 nan 5.310 1
1 849 . 7 1 1 A 71 71 THR C C 71 174.985 173.726 1.259 1
1 850 . 7 1 1 A 71 71 THR CA C 71 61.650 62.467 -0.817 1
1 851 . 7 1 1 A 71 71 THR CB C 71 69.870 68.997 0.873 1
1 853 . 7 1 1 A 71 71 THR N N 71 123.630 124.916 -1.286 1
1 854 . 7 1 1 A 72 72 THR H H 72 9.090 8.384 0.706 1
1 855 . 7 1 1 A 72 72 THR HA H 72 4.350 nan 4.350 1
1 860 . 7 1 1 A 72 72 THR C C 72 177.400 176.024 1.376 1
1 861 . 7 1 1 A 72 72 THR CA C 72 61.460 59.933 1.527 1
1 862 . 7 1 1 A 72 72 THR CB C 72 69.870 71.424 -1.554 1
1 864 . 7 1 1 A 72 72 THR N N 72 116.880 120.953 -4.073 1
1 865 . 7 1 1 A 73 73 MET HA H 73 4.140 nan 4.140 1
1 873 . 7 1 1 A 73 73 MET C C 73 176.100 177.577 -1.477 1
1 874 . 7 1 1 A 73 73 MET CA C 73 58.700 57.519 1.181 1
1 875 . 7 1 1 A 73 73 MET CB C 73 33.480 32.505 0.975 1
1 877 . 7 1 1 A 74 74 ASP H H 74 8.590 7.927 0.663 1
1 878 . 7 1 1 A 74 74 ASP HA H 74 4.637 nan 4.637 1
1 881 . 7 1 1 A 74 74 ASP C C 74 175.130 176.638 -1.508 1
1 882 . 7 1 1 A 74 74 ASP CA C 74 52.850 54.207 -1.357 1
1 883 . 7 1 1 A 74 74 ASP CB C 74 39.350 40.850 -1.500 1
1 884 . 7 1 1 A 74 74 ASP N N 74 112.930 118.304 -5.374 1
1 885 . 7 1 1 A 75 75 GLY H H 75 7.980 8.341 -0.361 1
1 886 . 7 1 1 A 75 75 GLY HA2 H 75 3.660 4.040 -0.380 1
1 887 . 7 1 1 A 75 75 GLY HA3 H 75 4.160 4.040 0.120 1
1 888 . 7 1 1 A 75 75 GLY C C 75 174.725 173.667 1.058 1
1 889 . 7 1 1 A 75 75 GLY CA C 75 45.800 45.538 0.262 1
1 890 . 7 1 1 A 75 75 GLY N N 75 107.880 107.332 0.548 1
1 891 . 7 1 1 A 76 76 LYS H H 76 7.850 7.624 0.226 1
1 892 . 7 1 1 A 76 76 LYS HA H 76 4.396 nan 4.396 1
1 898 . 7 1 1 A 76 76 LYS C C 76 174.820 174.963 -0.143 1
1 899 . 7 1 1 A 76 76 LYS CA C 76 55.780 54.265 1.515 1
1 900 . 7 1 1 A 76 76 LYS CB C 76 32.890 36.059 -3.169 1
1 904 . 7 1 1 A 76 76 LYS N N 76 121.380 115.630 5.750 1
1 905 . 7 1 1 A 77 77 LYS H H 77 8.210 8.782 -0.572 1
1 906 . 7 1 1 A 77 77 LYS HA H 77 5.410 nan 5.410 1
1 912 . 7 1 1 A 77 77 LYS C C 77 176.200 174.447 1.753 1
1 913 . 7 1 1 A 77 77 LYS CA C 77 54.600 54.206 0.394 1
1 914 . 7 1 1 A 77 77 LYS CB C 77 34.060 36.265 -2.205 1
1 918 . 7 1 1 A 77 77 LYS N N 77 119.130 119.604 -0.474 1
1 919 . 7 1 1 A 78 78 LEU H H 78 9.310 8.694 0.616 1
1 920 . 7 1 1 A 78 78 LEU HA H 78 4.790 nan 4.790 1
1 929 . 7 1 1 A 78 78 LEU C C 78 175.100 174.033 1.067 1
1 930 . 7 1 1 A 78 78 LEU CA C 78 54.000 53.570 0.430 1
1 931 . 7 1 1 A 78 78 LEU CB C 78 44.630 46.442 -1.812 1
1 935 . 7 1 1 A 78 78 LEU N N 78 123.630 121.969 1.661 1
1 936 . 7 1 1 A 79 79 LYS H H 79 8.430 9.181 -0.751 1
1 937 . 7 1 1 A 79 79 LYS HA H 79 5.530 nan 5.530 1
1 942 . 7 1 1 A 79 79 LYS CA C 79 54.020 55.057 -1.037 1
1 943 . 7 1 1 A 79 79 LYS CB C 79 32.890 33.794 -0.904 1
1 947 . 7 1 1 A 79 79 LYS N N 79 121.930 126.530 -4.600 1
1 948 . 7 1 1 A 80 80 CYS H H 80 8.910 8.665 0.245 1
1 949 . 7 1 1 A 80 80 CYS HA H 80 4.990 nan 4.990 1
1 952 . 7 1 1 A 80 80 CYS C C 80 175.870 173.370 2.500 1
1 953 . 7 1 1 A 80 80 CYS CA C 80 56.940 57.537 -0.597 1
1 954 . 7 1 1 A 80 80 CYS CB C 80 31.130 31.285 -0.155 1
1 955 . 7 1 1 A 80 80 CYS N N 80 117.930 124.958 -7.028 1
1 956 . 7 1 1 A 81 81 THR H H 81 8.620 8.702 -0.082 1
1 957 . 7 1 1 A 81 81 THR HA H 81 5.210 nan 5.210 1
1 962 . 7 1 1 A 81 81 THR C C 81 172.330 173.422 -1.092 1
1 963 . 7 1 1 A 81 81 THR CA C 81 61.070 60.786 0.284 1
1 964 . 7 1 1 A 81 81 THR CB C 81 69.870 70.142 -0.272 1
1 966 . 7 1 1 A 81 81 THR N N 81 116.330 115.734 0.596 1
1 967 . 7 1 1 A 82 82 VAL H H 82 9.510 8.899 0.611 1
1 968 . 7 1 1 A 82 82 VAL HA H 82 4.313 nan 4.313 1
1 976 . 7 1 1 A 82 82 VAL C C 82 175.200 174.501 0.699 1
1 977 . 7 1 1 A 82 82 VAL CA C 82 61.060 59.377 1.683 1
1 978 . 7 1 1 A 82 82 VAL CB C 82 32.300 34.733 -2.433 1
1 981 . 7 1 1 A 82 82 VAL N N 82 132.030 126.031 5.999 1
1 982 . 7 1 1 A 83 83 HIS H H 83 8.802 8.402 0.400 1
1 983 . 7 1 1 A 83 83 HIS HA H 83 4.973 nan 4.973 1
1 987 . 7 1 1 A 83 83 HIS C C 83 173.400 172.809 0.591 1
1 988 . 7 1 1 A 83 83 HIS CA C 83 55.020 53.480 1.540 1
1 989 . 7 1 1 A 83 83 HIS CB C 83 34.000 33.311 0.689 1
1 991 . 7 1 1 A 83 83 HIS N N 83 124.190 122.627 1.563 1
1 992 . 7 1 1 A 84 84 LEU H H 84 8.833 8.848 -0.015 1
1 993 . 7 1 1 A 84 84 LEU HA H 84 5.355 nan 5.355 1
1 1003 . 7 1 1 A 84 84 LEU C C 84 176.400 174.950 1.450 1
1 1004 . 7 1 1 A 84 84 LEU CA C 84 53.710 53.988 -0.278 1
1 1005 . 7 1 1 A 84 84 LEU CB C 84 44.050 42.999 1.051 1
1 1009 . 7 1 1 A 84 84 LEU N N 84 122.500 123.624 -1.124 1
1 1010 . 7 1 1 A 85 85 ALA H H 85 9.406 8.773 0.633 1
1 1011 . 7 1 1 A 85 85 ALA HA H 85 4.760 nan 4.760 1
1 1015 . 7 1 1 A 85 85 ALA C C 85 176.900 177.402 -0.502 1
1 1016 . 7 1 1 A 85 85 ALA CA C 85 51.080 51.060 0.020 1
1 1017 . 7 1 1 A 85 85 ALA CB C 85 20.460 19.663 0.797 1
1 1018 . 7 1 1 A 85 85 ALA N N 85 130.380 129.421 0.959 1
1 1019 . 7 1 1 A 86 86 ASN HA H 86 4.450 nan 4.450 1
1 1024 . 7 1 1 A 86 86 ASN C C 86 175.200 174.331 0.869 1
1 1025 . 7 1 1 A 86 86 ASN CA C 86 54.020 54.097 -0.077 1
1 1026 . 7 1 1 A 86 86 ASN CB C 86 34.790 37.466 -2.676 1
1 1028 . 7 1 1 A 87 87 GLY H H 87 8.600 8.188 0.412 1
1 1029 . 7 1 1 A 87 87 GLY HA2 H 87 3.757 4.067 -0.310 1
1 1030 . 7 1 1 A 87 87 GLY HA3 H 87 4.326 4.067 0.259 1
1 1031 . 7 1 1 A 87 87 GLY C C 87 172.970 173.760 -0.790 1
1 1032 . 7 1 1 A 87 87 GLY CA C 87 45.800 44.758 1.042 1
1 1033 . 7 1 1 A 87 87 GLY N N 87 102.830 104.512 -1.682 1
1 1034 . 7 1 1 A 88 88 LYS H H 88 7.927 7.888 0.039 1
1 1035 . 7 1 1 A 88 88 LYS HA H 88 5.108 nan 5.108 1
1 1041 . 7 1 1 A 88 88 LYS C C 88 175.280 175.525 -0.245 1
1 1042 . 7 1 1 A 88 88 LYS CA C 88 54.590 55.669 -1.079 1
1 1043 . 7 1 1 A 88 88 LYS CB C 88 34.660 32.859 1.801 1
1 1047 . 7 1 1 A 88 88 LYS N N 88 120.230 121.965 -1.735 1
1 1048 . 7 1 1 A 89 89 LEU H H 89 8.610 8.930 -0.320 1
1 1049 . 7 1 1 A 89 89 LEU HA H 89 5.200 nan 5.200 1
1 1058 . 7 1 1 A 89 89 LEU C C 89 175.400 175.630 -0.230 1
1 1059 . 7 1 1 A 89 89 LEU CA C 89 54.000 54.053 -0.053 1
1 1060 . 7 1 1 A 89 89 LEU CB C 89 41.700 40.492 1.208 1
1 1064 . 7 1 1 A 89 89 LEU N N 89 122.430 128.582 -6.152 1
1 1065 . 7 1 1 A 90 90 VAL H H 90 9.470 8.146 1.324 1
1 1066 . 7 1 1 A 90 90 VAL HA H 90 4.558 nan 4.558 1
1 1071 . 7 1 1 A 90 90 VAL C C 90 175.020 175.213 -0.193 1
1 1072 . 7 1 1 A 90 90 VAL CA C 90 61.200 60.961 0.239 1
1 1073 . 7 1 1 A 90 90 VAL CB C 90 32.550 32.998 -0.448 1
1 1075 . 7 1 1 A 90 90 VAL N N 90 122.500 125.201 -2.701 1
1 1076 . 7 1 1 A 91 91 THR H H 91 8.830 8.639 0.191 1
1 1077 . 7 1 1 A 91 91 THR HA H 91 4.760 nan 4.760 1
1 1082 . 7 1 1 A 91 91 THR C C 91 173.200 171.761 1.439 1
1 1083 . 7 1 1 A 91 91 THR CA C 91 62.190 60.321 1.869 1
1 1084 . 7 1 1 A 91 91 THR CB C 91 69.870 70.242 -0.372 1
1 1086 . 7 1 1 A 91 91 THR N N 91 124.190 119.922 4.268 1
1 1087 . 7 1 1 A 92 92 LYS H H 92 9.170 8.620 0.550 1
1 1088 . 7 1 1 A 92 92 LYS HA H 92 4.758 nan 4.758 1
1 1094 . 7 1 1 A 92 92 LYS C C 92 174.440 174.543 -0.103 1
1 1095 . 7 1 1 A 92 92 LYS CA C 92 55.180 55.695 -0.515 1
1 1096 . 7 1 1 A 92 92 LYS CB C 92 35.240 36.478 -1.238 1
1 1100 . 7 1 1 A 92 92 LYS N N 92 125.330 127.786 -2.456 1
1 1101 . 7 1 1 A 93 93 SER H H 93 8.320 8.445 -0.125 1
1 1103 . 7 1 1 A 93 93 SER C C 93 173.740 174.866 -1.126 1
1 1104 . 7 1 1 A 93 93 SER CA C 93 55.200 57.380 -2.180 1
1 1105 . 7 1 1 A 93 93 SER CB C 93 62.000 66.996 -4.996 1
1 1106 . 7 1 1 A 93 93 SER N N 93 118.030 120.106 -2.076 1
1 1107 . 7 1 1 A 94 94 GLU H H 94 8.760 9.137 -0.377 1
1 1108 . 7 1 1 A 94 94 GLU HA H 94 4.310 nan 4.310 1
1 1109 . 7 1 1 A 94 94 GLU CA C 94 54.100 59.664 -5.564 1
1 1110 . 7 1 1 A 94 94 GLU N N 94 120.810 122.476 -1.666 1
1 1118 . 7 1 1 A 95 95 LYS CB C 95 34.650 33.133 1.517 1
1 1122 . 7 1 1 A 96 96 PHE H H 96 7.140 7.771 -0.631 1
1 1123 . 7 1 1 A 96 96 PHE HA H 96 5.810 nan 5.810 1
1 1128 . 7 1 1 A 96 96 PHE CA C 96 56.350 56.274 0.076 1
1 1129 . 7 1 1 A 96 96 PHE CB C 96 43.460 42.370 1.090 1
1 1132 . 7 1 1 A 96 96 PHE N N 96 113.530 122.130 -8.600 1
1 1133 . 7 1 1 A 97 97 SER H H 97 8.660 8.286 0.374 1
1 1134 . 7 1 1 A 97 97 SER HA H 97 5.810 nan 5.810 1
1 1137 . 7 1 1 A 97 97 SER CA C 97 57.540 56.657 0.883 1
1 1138 . 7 1 1 A 97 97 SER CB C 97 66.350 65.610 0.740 1
1 1139 . 7 1 1 A 97 97 SER N N 97 111.810 123.669 -11.859 1
1 1140 . 7 1 1 A 98 98 HIS H H 98 9.440 8.496 0.944 1
1 1141 . 7 1 1 A 98 98 HIS HA H 98 5.780 nan 5.780 1
1 1145 . 7 1 1 A 98 98 HIS CA C 98 58.580 55.189 3.391 1
1 1146 . 7 1 1 A 98 98 HIS CB C 98 35.240 32.870 2.370 1
1 1147 . 7 1 1 A 98 98 HIS N N 98 125.830 124.075 1.755 1
1 1148 . 7 1 1 A 99 99 GLU HA H 99 5.410 nan 5.410 1
1 1152 . 7 1 1 A 99 99 GLU CA C 99 54.600 54.366 0.234 1
1 1153 . 7 1 1 A 99 99 GLU CB C 99 34.060 32.982 1.078 1
1 1155 . 7 1 1 A 100 100 GLN H H 100 9.060 8.516 0.544 1
1 1156 . 7 1 1 A 100 100 GLN HA H 100 5.150 nan 5.150 1
1 1161 . 7 1 1 A 100 100 GLN CA C 100 53.000 54.445 -1.445 1
1 1162 . 7 1 1 A 100 100 GLN CB C 100 34.060 32.038 2.022 1
1 1163 . 7 1 1 A 100 100 GLN N N 100 124.730 123.167 1.563 1
1 1164 . 7 1 1 A 101 101 GLU H H 101 9.110 9.434 -0.324 1
1 1165 . 7 1 1 A 101 101 GLU HA H 101 5.110 nan 5.110 1
1 1168 . 7 1 1 A 101 101 GLU C C 101 173.630 175.170 -1.540 1
1 1169 . 7 1 1 A 101 101 GLU CA C 101 54.600 55.136 -0.536 1
1 1170 . 7 1 1 A 101 101 GLU CB C 101 33.480 30.784 2.696 1
1 1171 . 7 1 1 A 101 101 GLU N N 101 126.430 123.786 2.644 1
1 1172 . 7 1 1 A 102 102 VAL H H 102 8.900 8.983 -0.083 1
1 1173 . 7 1 1 A 102 102 VAL HA H 102 4.650 nan 4.650 1
1 1181 . 7 1 1 A 102 102 VAL C C 102 175.060 175.118 -0.058 1
1 1182 . 7 1 1 A 102 102 VAL CA C 102 61.020 61.221 -0.201 1
1 1183 . 7 1 1 A 102 102 VAL CB C 102 34.060 32.270 1.790 1
1 1186 . 7 1 1 A 102 102 VAL N N 102 125.310 125.648 -0.338 1
1 1187 . 7 1 1 A 103 103 LYS H H 103 9.007 8.690 0.317 1
1 1188 . 7 1 1 A 103 103 LYS HA H 103 4.660 nan 4.660 1
1 1194 . 7 1 1 A 103 103 LYS C C 103 176.600 176.552 0.048 1
1 1195 . 7 1 1 A 103 103 LYS CA C 103 55.180 55.012 0.168 1
1 1196 . 7 1 1 A 103 103 LYS CB C 103 33.480 34.614 -1.134 1
1 1200 . 7 1 1 A 103 103 LYS N N 103 129.210 126.085 3.125 1
1 1201 . 7 1 1 A 104 104 GLY H H 104 9.190 9.035 0.155 1
1 1202 . 7 1 1 A 104 104 GLY HA2 H 104 3.760 3.962 -0.202 1
1 1203 . 7 1 1 A 104 104 GLY HA3 H 104 4.080 3.962 0.118 1
1 1204 . 7 1 1 A 104 104 GLY C C 104 174.000 174.627 -0.627 1
1 1205 . 7 1 1 A 104 104 GLY CA C 104 47.380 47.347 0.033 1
1 1206 . 7 1 1 A 104 104 GLY N N 104 117.410 114.920 2.490 1
1 1207 . 7 1 1 A 105 105 ASN H H 105 9.120 8.365 0.755 1
1 1208 . 7 1 1 A 105 105 ASN HA H 105 5.050 nan 5.050 1
1 1213 . 7 1 1 A 105 105 ASN C C 105 173.440 174.111 -0.671 1
1 1214 . 7 1 1 A 105 105 ASN CA C 105 52.830 52.924 -0.094 1
1 1215 . 7 1 1 A 105 105 ASN CB C 105 39.350 39.897 -0.547 1
1 1216 . 7 1 1 A 105 105 ASN N N 105 126.410 124.345 2.065 1
1 1217 . 7 1 1 A 106 106 GLU H H 106 8.153 7.867 0.286 1
1 1218 . 7 1 1 A 106 106 GLU HA H 106 5.610 nan 5.610 1
1 1223 . 7 1 1 A 106 106 GLU C C 106 173.490 174.840 -1.350 1
1 1224 . 7 1 1 A 106 106 GLU CA C 106 55.200 54.777 0.423 1
1 1225 . 7 1 1 A 106 106 GLU CB C 106 32.890 32.857 0.033 1
1 1227 . 7 1 1 A 106 106 GLU N N 106 120.250 118.013 2.237 1
1 1228 . 7 1 1 A 107 107 MET H H 107 8.970 9.078 -0.108 1
1 1229 . 7 1 1 A 107 107 MET HA H 107 5.137 nan 5.137 1
1 1237 . 7 1 1 A 107 107 MET C C 107 174.790 174.291 0.499 1
1 1238 . 7 1 1 A 107 107 MET CA C 107 54.320 53.682 0.638 1
1 1239 . 7 1 1 A 107 107 MET CB C 107 35.830 34.583 1.247 1
1 1242 . 7 1 1 A 107 107 MET N N 107 124.190 123.612 0.578 1
1 1243 . 7 1 1 A 108 108 VAL H H 108 9.140 8.882 0.258 1
1 1244 . 7 1 1 A 108 108 VAL HA H 108 4.820 nan 4.820 1
1 1249 . 7 1 1 A 108 108 VAL C C 108 175.200 173.964 1.236 1
1 1250 . 7 1 1 A 108 108 VAL CA C 108 61.040 60.402 0.638 1
1 1251 . 7 1 1 A 108 108 VAL CB C 108 34.070 34.760 -0.690 1
1 1253 . 7 1 1 A 108 108 VAL N N 108 126.440 126.179 0.261 1
1 1254 . 7 1 1 A 109 109 GLU H H 109 9.169 8.777 0.392 1
1 1255 . 7 1 1 A 109 109 GLU HA H 109 5.440 nan 5.440 1
1 1259 . 7 1 1 A 109 109 GLU C C 109 174.260 174.992 -0.732 1
1 1260 . 7 1 1 A 109 109 GLU CA C 109 53.700 54.360 -0.660 1
1 1261 . 7 1 1 A 109 109 GLU CB C 109 32.290 33.315 -1.025 1
1 1263 . 7 1 1 A 109 109 GLU N N 109 128.110 123.520 4.590 1
1 1264 . 7 1 1 A 110 110 THR H H 110 8.920 8.121 0.799 1
1 1265 . 7 1 1 A 110 110 THR HA H 110 5.174 nan 5.174 1
1 1270 . 7 1 1 A 110 110 THR C C 110 174.780 174.029 0.751 1
1 1271 . 7 1 1 A 110 110 THR CA C 110 60.700 60.102 0.598 1
1 1272 . 7 1 1 A 110 110 THR CB C 110 69.870 70.822 -0.952 1
1 1274 . 7 1 1 A 110 110 THR N N 110 119.130 112.520 6.610 1
1 1275 . 7 1 1 A 111 111 ILE H H 111 9.410 9.120 0.290 1
1 1276 . 7 1 1 A 111 111 ILE HA H 111 5.320 nan 5.320 1
1 1286 . 7 1 1 A 111 111 ILE C C 111 174.820 174.067 0.753 1
1 1287 . 7 1 1 A 111 111 ILE CA C 111 60.310 59.124 1.186 1
1 1288 . 7 1 1 A 111 111 ILE CB C 111 40.520 41.194 -0.674 1
1 1292 . 7 1 1 A 111 111 ILE N N 111 128.110 123.023 5.087 1
1 1293 . 7 1 1 A 112 112 THR H H 112 9.346 8.357 0.989 1
1 1294 . 7 1 1 A 112 112 THR HA H 112 5.840 nan 5.840 1
1 1299 . 7 1 1 A 112 112 THR C C 112 173.920 173.914 0.006 1
1 1300 . 7 1 1 A 112 112 THR CA C 112 61.070 62.135 -1.065 1
1 1301 . 7 1 1 A 112 112 THR CB C 112 70.460 68.883 1.577 1
1 1303 . 7 1 1 A 112 112 THR N N 112 123.630 121.367 2.263 1
1 1304 . 7 1 1 A 113 113 PHE H H 113 9.330 9.107 0.223 1
1 1305 . 7 1 1 A 113 113 PHE HA H 113 4.861 nan 4.861 1
1 1310 . 7 1 1 A 113 113 PHE C C 113 175.430 175.668 -0.238 1
1 1311 . 7 1 1 A 113 113 PHE CA C 113 58.700 56.120 2.580 1
1 1312 . 7 1 1 A 113 113 PHE CB C 113 43.150 40.081 3.069 1
1 1315 . 7 1 1 A 113 113 PHE N N 113 125.330 125.984 -0.654 1
1 1316 . 7 1 1 A 114 114 GLY H H 114 8.485 9.033 -0.548 1
1 1317 . 7 1 1 A 114 114 GLY HA2 H 114 3.500 3.963 -0.463 1
1 1318 . 7 1 1 A 114 114 GLY HA3 H 114 3.500 3.963 -0.463 1
1 1319 . 7 1 1 A 114 114 GLY C C 114 175.180 175.133 0.047 1
1 1320 . 7 1 1 A 114 114 GLY CA C 114 46.700 47.313 -0.613 1
1 1321 . 7 1 1 A 114 114 GLY N N 114 115.730 115.012 0.718 1
1 1322 . 7 1 1 A 115 115 GLY H H 115 8.582 8.839 -0.257 1
1 1323 . 7 1 1 A 115 115 GLY HA2 H 115 3.637 4.115 -0.478 1
1 1324 . 7 1 1 A 115 115 GLY HA3 H 115 4.196 4.115 0.081 1
1 1325 . 7 1 1 A 115 115 GLY C C 115 173.680 173.398 0.282 1
1 1326 . 7 1 1 A 115 115 GLY CA C 115 44.480 45.061 -0.581 1
1 1327 . 7 1 1 A 115 115 GLY N N 115 105.040 114.362 -9.322 1
1 1328 . 7 1 1 A 116 116 VAL H H 116 8.199 7.608 0.591 1
1 1329 . 7 1 1 A 116 116 VAL HA H 116 4.353 nan 4.353 1
1 1337 . 7 1 1 A 116 116 VAL C C 116 174.100 173.308 0.792 1
1 1338 . 7 1 1 A 116 116 VAL CA C 116 61.650 58.901 2.749 1
1 1339 . 7 1 1 A 116 116 VAL CB C 116 33.970 35.758 -1.788 1
1 1342 . 7 1 1 A 116 116 VAL N N 116 123.630 119.909 3.721 1
1 1343 . 7 1 1 A 117 117 THR H H 117 8.797 8.749 0.048 1
1 1344 . 7 1 1 A 117 117 THR HA H 117 5.323 nan 5.323 1
1 1349 . 7 1 1 A 117 117 THR C C 117 173.510 173.894 -0.384 1
1 1350 . 7 1 1 A 117 117 THR CA C 117 61.650 61.751 -0.101 1
1 1351 . 7 1 1 A 117 117 THR CB C 117 69.840 70.574 -0.734 1
1 1353 . 7 1 1 A 117 117 THR N N 117 123.030 122.736 0.294 1
1 1354 . 7 1 1 A 118 118 LEU H H 118 9.491 9.443 0.048 1
1 1355 . 7 1 1 A 118 118 LEU HA H 118 4.800 nan 4.800 1
1 1365 . 7 1 1 A 118 118 LEU C C 118 175.250 176.080 -0.830 1
1 1366 . 7 1 1 A 118 118 LEU CA C 118 53.420 53.557 -0.137 1
1 1367 . 7 1 1 A 118 118 LEU CB C 118 43.970 43.841 0.129 1
1 1371 . 7 1 1 A 118 118 LEU N N 118 131.530 126.628 4.902 1
1 1372 . 7 1 1 A 119 119 ILE H H 119 7.902 9.127 -1.225 1
1 1373 . 7 1 1 A 119 119 ILE HA H 119 5.127 nan 5.127 1
1 1383 . 7 1 1 A 119 119 ILE C C 119 175.450 173.954 1.496 1
1 1384 . 7 1 1 A 119 119 ILE CA C 119 59.780 60.576 -0.796 1
1 1385 . 7 1 1 A 119 119 ILE CB C 119 39.350 39.749 -0.399 1
1 1389 . 7 1 1 A 119 119 ILE N N 119 125.320 123.655 1.665 1
1 1390 . 7 1 1 A 120 120 ARG H H 120 9.550 9.041 0.509 1
1 1391 . 7 1 1 A 120 120 ARG HA H 120 5.420 nan 5.420 1
1 1395 . 7 1 1 A 120 120 ARG C C 120 174.890 174.474 0.416 1
1 1396 . 7 1 1 A 120 120 ARG CA C 120 54.610 54.734 -0.124 1
1 1397 . 7 1 1 A 120 120 ARG CB C 120 34.060 31.824 2.236 1
1 1400 . 7 1 1 A 120 120 ARG N N 120 126.430 129.261 -2.831 1
1 1401 . 7 1 1 A 121 121 ARG H H 121 9.250 8.617 0.633 1
1 1402 . 7 1 1 A 121 121 ARG HA H 121 5.410 nan 5.410 1
1 1409 . 7 1 1 A 121 121 ARG C C 121 174.780 174.895 -0.115 1
1 1410 . 7 1 1 A 121 121 ARG CA C 121 54.770 54.900 -0.130 1
1 1411 . 7 1 1 A 121 121 ARG CB C 121 31.650 30.893 0.757 1
1 1414 . 7 1 1 A 121 121 ARG N N 121 128.130 126.561 1.569 1
1 1415 . 7 1 1 A 122 122 SER H H 122 9.617 8.980 0.637 1
1 1416 . 7 1 1 A 122 122 SER HA H 122 5.819 nan 5.819 1
1 1419 . 7 1 1 A 122 122 SER C C 122 172.460 173.365 -0.905 1
1 1420 . 7 1 1 A 122 122 SER CA C 122 57.540 56.971 0.569 1
1 1421 . 7 1 1 A 122 122 SER CB C 122 66.939 65.729 1.210 1
1 1422 . 7 1 1 A 122 122 SER N N 122 118.000 121.279 -3.279 1
1 1423 . 7 1 1 A 123 123 LYS H H 123 8.699 9.092 -0.393 1
1 1424 . 7 1 1 A 123 123 LYS HA H 123 5.801 nan 5.801 1
1 1430 . 7 1 1 A 123 123 LYS C C 123 175.440 175.264 0.176 1
1 1431 . 7 1 1 A 123 123 LYS CA C 123 53.430 54.258 -0.828 1
1 1432 . 7 1 1 A 123 123 LYS CB C 123 35.830 36.145 -0.315 1
1 1436 . 7 1 1 A 123 123 LYS N N 123 120.260 120.498 -0.238 1
1 1437 . 7 1 1 A 124 124 ARG H H 124 8.256 8.569 -0.313 1
1 1438 . 7 1 1 A 124 124 ARG HA H 124 4.040 nan 4.040 1
1 1445 . 7 1 1 A 124 124 ARG C C 124 176.530 176.264 0.266 1
1 1446 . 7 1 1 A 124 124 ARG CA C 124 56.960 56.122 0.838 1
1 1447 . 7 1 1 A 124 124 ARG CB C 124 30.540 29.019 1.521 1
1 1450 . 7 1 1 A 124 124 ARG N N 124 124.780 118.809 5.971 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 115 0.995 1
2 1 1 1 "RMS(OBS, PRED)" CA 122 1.471 1
3 1 1 1 "RMS(OBS, PRED)" CB 114 1.677 1
4 1 1 1 "RMS(OBS, PRED)" H 115 0.580 1
5 1 1 1 "RMS(OBS, PRED)" HA 129 nan 1
6 1 1 1 "RMS(OBS, PRED)" N 116 3.468 1
7 1 2 1 "RMS(OBS, PRED)" C 115 0.904 1
8 1 2 1 "RMS(OBS, PRED)" CA 122 1.434 1
9 1 2 1 "RMS(OBS, PRED)" CB 114 1.711 1
10 1 2 1 "RMS(OBS, PRED)" H 115 0.536 1
11 1 2 1 "RMS(OBS, PRED)" HA 129 0.374 1
12 1 2 1 "RMS(OBS, PRED)" N 116 3.687 1
13 1 3 1 "RMS(OBS, PRED)" C 115 0.982 1
14 1 3 1 "RMS(OBS, PRED)" CA 122 1.488 1
15 1 3 1 "RMS(OBS, PRED)" CB 114 1.692 1
16 1 3 1 "RMS(OBS, PRED)" H 115 0.557 1
17 1 3 1 "RMS(OBS, PRED)" HA 129 nan 1
18 1 3 1 "RMS(OBS, PRED)" N 116 3.880 1
19 1 4 1 "RMS(OBS, PRED)" C 115 1.064 1
20 1 4 1 "RMS(OBS, PRED)" CA 122 1.600 1
21 1 4 1 "RMS(OBS, PRED)" CB 114 1.637 1
22 1 4 1 "RMS(OBS, PRED)" H 115 0.562 1
23 1 4 1 "RMS(OBS, PRED)" HA 129 nan 1
24 1 4 1 "RMS(OBS, PRED)" N 116 3.968 1
25 1 5 1 "RMS(OBS, PRED)" C 115 0.948 1
26 1 5 1 "RMS(OBS, PRED)" CA 122 1.483 1
27 1 5 1 "RMS(OBS, PRED)" CB 114 1.647 1
28 1 5 1 "RMS(OBS, PRED)" H 115 0.576 1
29 1 5 1 "RMS(OBS, PRED)" HA 129 0.374 1
30 1 5 1 "RMS(OBS, PRED)" N 116 3.450 1
31 1 6 1 "RMS(OBS, PRED)" C 115 1.063 1
32 1 6 1 "RMS(OBS, PRED)" CA 122 1.547 1
33 1 6 1 "RMS(OBS, PRED)" CB 114 1.630 1
34 1 6 1 "RMS(OBS, PRED)" H 115 0.525 1
35 1 6 1 "RMS(OBS, PRED)" HA 129 0.391 1
36 1 6 1 "RMS(OBS, PRED)" N 116 3.731 1
37 1 7 1 "RMS(OBS, PRED)" C 115 0.975 1
38 1 7 1 "RMS(OBS, PRED)" CA 122 1.565 1
39 1 7 1 "RMS(OBS, PRED)" CB 114 1.722 1
40 1 7 1 "RMS(OBS, PRED)" H 115 0.547 1
41 1 7 1 "RMS(OBS, PRED)" HA 129 nan 1
42 1 7 1 "RMS(OBS, PRED)" N 116 3.759 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 7 . 1 1 A 2 2 PHE H H 2 8.500 8.624 -0.124 2
1 8 . 1 1 A 2 2 PHE HA H 2 4.440 2.040 2.400 2
1 12 . 1 1 A 2 2 PHE C C 2 175.800 175.851 -0.051 2
1 13 . 1 1 A 2 2 PHE CA C 2 61.060 58.417 2.643 2
1 14 . 1 1 A 2 2 PHE CB C 2 40.690 40.704 -0.014 2
1 16 . 1 1 A 2 2 PHE N N 2 115.730 120.441 -4.711 2
1 17 . 1 1 A 3 3 SER H H 3 8.110 8.063 0.047 2
1 18 . 1 1 A 3 3 SER HA H 3 4.500 1.827 2.673 2
1 20 . 1 1 A 3 3 SER C C 3 174.470 174.682 -0.212 2
1 21 . 1 1 A 3 3 SER CA C 3 59.890 60.188 -0.298 2
1 22 . 1 1 A 3 3 SER CB C 3 60.610 63.649 -3.039 2
1 23 . 1 1 A 3 3 SER N N 3 111.250 115.259 -4.009 2
1 24 . 1 1 A 4 4 GLY H H 4 9.130 8.507 0.623 2
1 25 . 1 1 A 4 4 GLY HA2 H 4 4.081 4.263 -0.182 2
1 26 . 1 1 A 4 4 GLY HA3 H 4 3.896 4.263 -0.367 2
1 27 . 1 1 A 4 4 GLY C C 4 170.770 171.803 -1.033 2
1 28 . 1 1 A 4 4 GLY CA C 4 44.040 45.229 -1.189 2
1 29 . 1 1 A 4 4 GLY N N 4 111.720 111.108 0.612 2
1 30 . 1 1 A 5 5 THR H H 5 8.306 8.108 0.198 2
1 31 . 1 1 A 5 5 THR HA H 5 4.980 2.206 2.774 2
1 36 . 1 1 A 5 5 THR C C 5 172.600 173.451 -0.851 2
1 37 . 1 1 A 5 5 THR CA C 5 62.800 61.378 1.422 2
1 38 . 1 1 A 5 5 THR CB C 5 68.690 70.011 -1.321 2
1 40 . 1 1 A 5 5 THR N N 5 117.930 114.161 3.769 2
1 41 . 1 1 A 6 6 TRP H H 6 9.590 9.356 0.234 2
1 42 . 1 1 A 6 6 TRP HA H 6 5.180 2.271 2.909 2
1 51 . 1 1 A 6 6 TRP C C 6 175.170 174.934 0.236 2
1 52 . 1 1 A 6 6 TRP CA C 6 55.190 55.568 -0.378 2
1 53 . 1 1 A 6 6 TRP CB C 6 31.720 32.419 -0.699 2
1 58 . 1 1 A 6 6 TRP N N 6 127.530 126.583 0.947 2
1 59 . 1 1 A 7 7 GLN H H 7 9.359 9.391 -0.032 2
1 60 . 1 1 A 7 7 GLN HA H 7 5.052 2.079 2.973 2
1 67 . 1 1 A 7 7 GLN C C 7 175.870 175.167 0.703 2
1 68 . 1 1 A 7 7 GLN CA C 7 54.020 54.578 -0.558 2
1 69 . 1 1 A 7 7 GLN CB C 7 31.700 31.309 0.391 2
1 71 . 1 1 A 7 7 GLN N N 7 122.500 122.900 -0.400 2
1 73 . 1 1 A 8 8 VAL H H 8 8.590 8.881 -0.291 2
1 74 . 1 1 A 8 8 VAL HA H 8 4.511 2.013 2.498 2
1 82 . 1 1 A 8 8 VAL C C 8 175.850 175.267 0.583 2
1 83 . 1 1 A 8 8 VAL CA C 8 63.420 61.572 1.848 2
1 84 . 1 1 A 8 8 VAL CB C 8 31.720 33.015 -1.295 2
1 87 . 1 1 A 8 8 VAL N N 8 131.500 124.052 7.448 2
1 88 . 1 1 A 9 9 TYR H H 9 9.595 8.740 0.855 2
1 89 . 1 1 A 9 9 TYR HA H 9 5.184 2.389 2.795 2
1 94 . 1 1 A 9 9 TYR C C 9 174.140 174.391 -0.251 2
1 95 . 1 1 A 9 9 TYR CA C 9 56.370 55.959 0.411 2
1 96 . 1 1 A 9 9 TYR CB C 9 40.530 40.372 0.158 2
1 99 . 1 1 A 9 9 TYR N N 9 123.060 121.342 1.718 2
1 100 . 1 1 A 10 10 ALA H H 10 7.380 8.291 -0.911 2
1 101 . 1 1 A 10 10 ALA HA H 10 4.720 2.080 2.640 2
1 105 . 1 1 A 10 10 ALA C C 10 175.100 176.167 -1.067 2
1 106 . 1 1 A 10 10 ALA CA C 10 51.660 51.201 0.459 2
1 107 . 1 1 A 10 10 ALA CB C 10 22.330 22.790 -0.460 2
1 108 . 1 1 A 10 10 ALA N N 10 125.830 123.262 2.568 2
1 109 . 1 1 A 11 11 GLN H H 11 8.761 8.671 0.090 2
1 110 . 1 1 A 11 11 GLN HA H 11 5.289 1.965 3.324 2
1 115 . 1 1 A 11 11 GLN C C 11 174.400 175.484 -1.084 2
1 116 . 1 1 A 11 11 GLN CA C 11 54.020 55.204 -1.184 2
1 117 . 1 1 A 11 11 GLN CB C 11 32.310 30.397 1.913 2
1 119 . 1 1 A 11 11 GLN N N 11 118.530 119.868 -1.338 2
1 120 . 1 1 A 12 12 GLU H H 12 9.353 7.522 1.831 2
1 121 . 1 1 A 12 12 GLU HA H 12 4.670 1.872 2.798 2
1 126 . 1 1 A 12 12 GLU C C 12 176.600 176.835 -0.235 2
1 127 . 1 1 A 12 12 GLU CA C 12 55.780 57.074 -1.294 2
1 128 . 1 1 A 12 12 GLU CB C 12 31.720 29.437 2.283 2
1 130 . 1 1 A 12 12 GLU N N 12 123.630 120.030 3.600 2
1 131 . 1 1 A 13 13 ASN H H 13 9.240 9.330 -0.090 2
1 132 . 1 1 A 13 13 ASN HA H 13 4.780 1.885 2.895 2
1 137 . 1 1 A 13 13 ASN C C 13 175.720 174.975 0.745 2
1 138 . 1 1 A 13 13 ASN CA C 13 54.010 54.638 -0.628 2
1 139 . 1 1 A 13 13 ASN CB C 13 44.800 36.723 8.077 2
1 140 . 1 1 A 13 13 ASN N N 13 117.430 120.095 -2.665 2
1 142 . 1 1 A 14 14 TYR HA H 14 4.540 1.876 2.664 2
1 147 . 1 1 A 14 14 TYR C C 14 177.100 177.864 -0.764 2
1 148 . 1 1 A 14 14 TYR CA C 14 59.890 61.843 -1.953 2
1 149 . 1 1 A 14 14 TYR CB C 14 39.350 39.129 0.221 2
1 152 . 1 1 A 14 14 TYR N N 14 118.530 119.093 -0.563 2
1 153 . 1 1 A 15 15 GLU H H 15 8.970 8.507 0.463 2
1 154 . 1 1 A 15 15 GLU HA H 15 3.680 1.781 1.899 2
1 157 . 1 1 A 15 15 GLU C C 15 179.100 178.672 0.428 2
1 158 . 1 1 A 15 15 GLU CA C 15 61.070 58.832 2.238 2
1 159 . 1 1 A 15 15 GLU CB C 15 28.200 28.600 -0.400 2
1 161 . 1 1 A 15 15 GLU N N 15 117.930 118.739 -0.809 2
1 162 . 1 1 A 16 16 GLU H H 16 9.020 8.181 0.839 2
1 163 . 1 1 A 16 16 GLU HA H 16 3.950 1.755 2.195 2
1 167 . 1 1 A 16 16 GLU C C 16 179.200 178.942 0.258 2
1 168 . 1 1 A 16 16 GLU CA C 16 59.890 59.195 0.695 2
1 169 . 1 1 A 16 16 GLU CB C 16 28.200 29.742 -1.542 2
1 171 . 1 1 A 16 16 GLU N N 16 118.530 120.162 -1.632 2
1 172 . 1 1 A 17 17 PHE H H 17 8.490 7.843 0.647 2
1 173 . 1 1 A 17 17 PHE HA H 17 4.130 1.879 2.251 2
1 178 . 1 1 A 17 17 PHE C C 17 176.000 177.321 -1.321 2
1 179 . 1 1 A 17 17 PHE CA C 17 62.240 60.372 1.868 2
1 180 . 1 1 A 17 17 PHE CB C 17 39.930 38.843 1.087 2
1 183 . 1 1 A 17 17 PHE N N 17 124.190 119.701 4.489 2
1 184 . 1 1 A 18 18 LEU H H 18 8.460 7.796 0.664 2
1 185 . 1 1 A 18 18 LEU HA H 18 3.770 1.681 2.089 2
1 195 . 1 1 A 18 18 LEU C C 18 179.500 178.896 0.604 2
1 196 . 1 1 A 18 18 LEU CA C 18 58.130 57.911 0.219 2
1 197 . 1 1 A 18 18 LEU CB C 18 41.100 41.473 -0.373 2
1 201 . 1 1 A 18 18 LEU N N 18 117.430 120.093 -2.663 2
1 202 . 1 1 A 19 19 LYS H H 19 7.760 7.826 -0.066 2
1 203 . 1 1 A 19 19 LYS HA H 19 4.120 1.824 2.296 2
1 209 . 1 1 A 19 19 LYS C C 19 180.710 177.539 3.171 2
1 210 . 1 1 A 19 19 LYS CA C 19 58.720 58.187 0.533 2
1 211 . 1 1 A 19 19 LYS CB C 19 31.720 31.926 -0.206 2
1 215 . 1 1 A 19 19 LYS N N 19 116.830 117.067 -0.237 2
1 216 . 1 1 A 20 20 ALA H H 20 8.050 7.893 0.157 2
1 217 . 1 1 A 20 20 ALA HA H 20 4.270 1.895 2.375 2
1 221 . 1 1 A 20 20 ALA C C 20 179.050 177.023 2.027 2
1 222 . 1 1 A 20 20 ALA CA C 20 54.600 51.902 2.698 2
1 223 . 1 1 A 20 20 ALA CB C 20 17.630 19.767 -2.137 2
1 224 . 1 1 A 20 20 ALA N N 20 125.880 120.986 4.894 2
1 225 . 1 1 A 21 21 LEU H H 21 7.330 7.349 -0.019 2
1 226 . 1 1 A 21 21 LEU HA H 21 3.780 1.947 1.833 2
1 236 . 1 1 A 21 21 LEU C C 21 175.540 176.399 -0.859 2
1 237 . 1 1 A 21 21 LEU CA C 21 55.200 54.029 1.171 2
1 238 . 1 1 A 21 21 LEU CB C 21 41.700 43.577 -1.877 2
1 242 . 1 1 A 21 21 LEU N N 21 115.750 117.805 -2.055 2
1 243 . 1 1 A 22 22 ALA H H 22 7.990 8.171 -0.181 2
1 244 . 1 1 A 22 22 ALA HA H 22 4.010 1.912 2.098 2
1 248 . 1 1 A 22 22 ALA C C 22 177.000 176.033 0.967 2
1 249 . 1 1 A 22 22 ALA CA C 22 52.260 52.158 0.102 2
1 250 . 1 1 A 22 22 ALA CB C 22 16.460 18.678 -2.218 2
1 251 . 1 1 A 22 22 ALA N N 22 118.000 122.540 -4.540 2
1 252 . 1 1 A 23 23 LEU H H 23 7.010 7.255 -0.245 2
1 253 . 1 1 A 23 23 LEU HA H 23 4.440 2.018 2.422 2
1 263 . 1 1 A 23 23 LEU C C 23 174.650 176.098 -1.448 2
1 264 . 1 1 A 23 23 LEU CA C 23 53.440 51.176 2.264 2
1 265 . 1 1 A 23 23 LEU CB C 23 41.700 42.944 -1.244 2
1 269 . 1 1 A 23 23 LEU N N 23 119.130 120.093 -0.963 2
1 270 . 1 1 A 24 24 PRO HA H 24 4.570 1.956 2.614 2
1 277 . 1 1 A 24 24 PRO C C 24 177.830 177.752 0.078 2
1 278 . 1 1 A 24 24 PRO CA C 24 62.240 63.365 -1.125 2
1 279 . 1 1 A 24 24 PRO CB C 24 32.310 31.585 0.725 2
1 282 . 1 1 A 25 25 GLU H H 25 8.910 8.145 0.765 2
1 283 . 1 1 A 25 25 GLU HA H 25 3.900 1.789 2.111 2
1 288 . 1 1 A 25 25 GLU C C 25 178.140 176.353 1.787 2
1 289 . 1 1 A 25 25 GLU CA C 25 59.890 58.573 1.317 2
1 290 . 1 1 A 25 25 GLU CB C 25 29.370 28.370 1.000 2
1 292 . 1 1 A 25 25 GLU N N 25 122.500 116.229 6.271 2
1 293 . 1 1 A 26 26 ASP H H 26 9.000 8.475 0.525 2
1 294 . 1 1 A 26 26 ASP HA H 26 4.410 1.913 2.497 2
1 297 . 1 1 A 26 26 ASP C C 26 178.610 178.003 0.607 2
1 298 . 1 1 A 26 26 ASP CA C 26 56.370 57.135 -0.765 2
1 299 . 1 1 A 26 26 ASP CB C 26 39.350 41.677 -2.327 2
1 300 . 1 1 A 26 26 ASP N N 26 116.310 119.997 -3.687 2
1 301 . 1 1 A 27 27 LEU H H 27 7.440 7.866 -0.426 2
1 302 . 1 1 A 27 27 LEU HA H 27 4.400 1.869 2.531 2
1 312 . 1 1 A 27 27 LEU C C 27 178.480 177.824 0.656 2
1 313 . 1 1 A 27 27 LEU CA C 27 56.370 55.528 0.842 2
1 314 . 1 1 A 27 27 LEU CB C 27 41.210 41.296 -0.086 2
1 318 . 1 1 A 27 27 LEU N N 27 120.250 118.000 2.250 2
1 319 . 1 1 A 28 28 ILE H H 28 8.040 7.697 0.343 2
1 320 . 1 1 A 28 28 ILE HA H 28 3.430 1.553 1.877 2
1 330 . 1 1 A 28 28 ILE C C 28 177.705 177.874 -0.169 2
1 331 . 1 1 A 28 28 ILE CA C 28 66.350 64.967 1.383 2
1 332 . 1 1 A 28 28 ILE CB C 28 37.000 37.453 -0.453 2
1 336 . 1 1 A 28 28 ILE N N 28 121.930 119.940 1.990 2
1 337 . 1 1 A 29 29 LYS H H 29 7.830 7.837 -0.007 2
1 338 . 1 1 A 29 29 LYS HA H 29 3.940 1.750 2.190 2
1 344 . 1 1 A 29 29 LYS C C 29 179.200 178.888 0.312 2
1 345 . 1 1 A 29 29 LYS CA C 29 59.890 59.250 0.640 2
1 346 . 1 1 A 29 29 LYS CB C 29 31.700 32.003 -0.303 2
1 350 . 1 1 A 29 29 LYS N N 29 116.880 120.063 -3.183 2
1 351 . 1 1 A 30 30 MET H H 30 7.290 7.909 -0.619 2
1 352 . 1 1 A 30 30 MET HA H 30 4.268 1.859 2.409 2
1 360 . 1 1 A 30 30 MET C C 30 177.710 178.058 -0.348 2
1 361 . 1 1 A 30 30 MET CA C 30 58.130 57.717 0.413 2
1 362 . 1 1 A 30 30 MET CB C 30 33.480 32.456 1.024 2
1 365 . 1 1 A 30 30 MET N N 30 116.880 119.351 -2.471 2
1 366 . 1 1 A 31 31 ALA H H 31 8.410 8.072 0.338 2
1 367 . 1 1 A 31 31 ALA HA H 31 4.180 1.698 2.482 2
1 371 . 1 1 A 31 31 ALA C C 31 180.650 179.626 1.024 2
1 372 . 1 1 A 31 31 ALA CA C 31 54.020 55.303 -1.283 2
1 373 . 1 1 A 31 31 ALA CB C 31 19.980 17.977 2.003 2
1 374 . 1 1 A 31 31 ALA N N 31 120.250 121.422 -1.172 2
1 375 . 1 1 A 32 32 ARG H H 32 8.000 7.918 0.082 2
1 376 . 1 1 A 32 32 ARG HA H 32 4.130 1.807 2.323 2
1 382 . 1 1 A 32 32 ARG C C 32 176.805 176.927 -0.122 2
1 383 . 1 1 A 32 32 ARG CA C 32 60.480 58.028 2.452 2
1 384 . 1 1 A 32 32 ARG CB C 32 30.540 29.228 1.312 2
1 387 . 1 1 A 32 32 ARG N N 32 118.540 116.558 1.982 2
1 388 . 1 1 A 33 33 ASP H H 33 7.980 7.788 0.192 2
1 389 . 1 1 A 33 33 ASP HA H 33 4.970 2.052 2.918 2
1 392 . 1 1 A 33 33 ASP C C 33 175.990 176.767 -0.777 2
1 393 . 1 1 A 33 33 ASP CA C 33 54.000 54.447 -0.447 2
1 394 . 1 1 A 33 33 ASP CB C 33 41.700 41.338 0.362 2
1 395 . 1 1 A 33 33 ASP N N 33 116.310 119.097 -2.787 2
1 396 . 1 1 A 34 34 ILE H H 34 7.550 7.351 0.199 2
1 397 . 1 1 A 34 34 ILE HA H 34 4.150 1.724 2.426 2
1 407 . 1 1 A 34 34 ILE C C 34 175.797 175.603 0.194 2
1 408 . 1 1 A 34 34 ILE CA C 34 61.070 62.471 -1.401 2
1 409 . 1 1 A 34 34 ILE CB C 34 38.180 36.971 1.209 2
1 413 . 1 1 A 34 34 ILE N N 34 120.870 121.673 -0.803 2
1 414 . 1 1 A 35 35 LYS H H 35 8.990 8.348 0.642 2
1 415 . 1 1 A 35 35 LYS HA H 35 4.730 2.013 2.717 2
1 423 . 1 1 A 35 35 LYS C C 35 173.200 174.489 -1.289 2
1 424 . 1 1 A 35 35 LYS CA C 35 52.840 54.704 -1.864 2
1 425 . 1 1 A 35 35 LYS CB C 35 32.890 32.356 0.534 2
1 429 . 1 1 A 35 35 LYS N N 35 129.810 126.096 3.714 2
1 430 . 1 1 A 36 36 PRO HA H 36 4.730 2.057 2.673 2
1 436 . 1 1 A 36 36 PRO C C 36 173.900 176.029 -2.129 2
1 437 . 1 1 A 36 36 PRO CA C 36 62.800 62.299 0.501 2
1 438 . 1 1 A 36 36 PRO CB C 36 32.310 32.852 -0.542 2
1 441 . 1 1 A 37 37 ILE H H 37 8.400 8.477 -0.077 2
1 442 . 1 1 A 37 37 ILE HA H 37 5.090 1.917 3.173 2
1 452 . 1 1 A 37 37 ILE C C 37 175.257 175.410 -0.153 2
1 453 . 1 1 A 37 37 ILE CA C 37 62.670 60.310 2.360 2
1 454 . 1 1 A 37 37 ILE CB C 37 40.520 38.702 1.818 2
1 458 . 1 1 A 37 37 ILE N N 37 121.380 119.858 1.522 2
1 459 . 1 1 A 38 38 VAL H H 38 9.550 9.334 0.216 2
1 460 . 1 1 A 38 38 VAL HA H 38 5.180 1.907 3.273 2
1 465 . 1 1 A 38 38 VAL C C 38 174.875 175.029 -0.154 2
1 466 . 1 1 A 38 38 VAL CA C 38 61.060 61.921 -0.861 2
1 467 . 1 1 A 38 38 VAL CB C 38 34.650 31.921 2.729 2
1 469 . 1 1 A 38 38 VAL N N 38 128.690 127.640 1.050 2
1 470 . 1 1 A 39 39 GLU H H 39 9.710 8.948 0.762 2
1 471 . 1 1 A 39 39 GLU HA H 39 5.510 2.133 3.377 2
1 476 . 1 1 A 39 39 GLU C C 39 175.930 175.387 0.543 2
1 477 . 1 1 A 39 39 GLU CA C 39 54.020 55.474 -1.454 2
1 478 . 1 1 A 39 39 GLU CB C 39 31.700 30.710 0.990 2
1 480 . 1 1 A 39 39 GLU N N 39 128.130 127.436 0.694 2
1 481 . 1 1 A 40 40 ILE H H 40 9.760 9.111 0.649 2
1 482 . 1 1 A 40 40 ILE HA H 40 5.130 2.045 3.085 2
1 492 . 1 1 A 40 40 ILE C C 40 175.960 175.093 0.867 2
1 493 . 1 1 A 40 40 ILE CA C 40 61.650 60.358 1.292 2
1 494 . 1 1 A 40 40 ILE CB C 40 40.520 38.898 1.622 2
1 498 . 1 1 A 40 40 ILE N N 40 126.430 126.942 -0.512 2
1 499 . 1 1 A 41 41 GLN H H 41 9.380 9.234 0.146 2
1 500 . 1 1 A 41 41 GLN HA H 41 4.740 2.183 2.557 2
1 506 . 1 1 A 41 41 GLN C C 41 173.420 173.821 -0.401 2
1 507 . 1 1 A 41 41 GLN CA C 41 54.590 54.025 0.565 2
1 508 . 1 1 A 41 41 GLN CB C 41 31.130 31.925 -0.795 2
1 510 . 1 1 A 41 41 GLN N N 41 128.130 127.251 0.879 2
1 512 . 1 1 A 42 42 GLN H H 42 8.310 8.765 -0.455 2
1 513 . 1 1 A 42 42 GLN HA H 42 4.440 2.114 2.326 2
1 520 . 1 1 A 42 42 GLN C C 42 174.500 175.203 -0.703 2
1 521 . 1 1 A 42 42 GLN CA C 42 54.020 54.282 -0.262 2
1 522 . 1 1 A 42 42 GLN CB C 42 29.960 31.077 -1.117 2
1 524 . 1 1 A 42 42 GLN N N 42 125.880 125.199 0.681 2
1 526 . 1 1 A 43 43 LYS H H 43 8.290 8.668 -0.378 2
1 527 . 1 1 A 43 43 LYS HA H 43 4.420 2.008 2.412 2
1 533 . 1 1 A 43 43 LYS C C 43 175.990 176.888 -0.898 2
1 534 . 1 1 A 43 43 LYS CA C 43 54.020 55.222 -1.202 2
1 535 . 1 1 A 43 43 LYS CB C 43 32.890 32.518 0.372 2
1 539 . 1 1 A 43 43 LYS N N 43 129.810 125.284 4.526 2
1 540 . 1 1 A 44 44 GLY H H 44 9.040 8.294 0.746 2
1 541 . 1 1 A 44 44 GLY HA2 H 44 3.660 4.011 -0.351 2
1 542 . 1 1 A 44 44 GLY HA3 H 44 4.020 4.011 0.009 2
1 543 . 1 1 A 44 44 GLY C C 44 173.790 174.304 -0.514 2
1 544 . 1 1 A 44 44 GLY CA C 44 47.570 46.709 0.861 2
1 545 . 1 1 A 44 44 GLY N N 44 116.880 110.696 6.184 2
1 546 . 1 1 A 45 45 ASP H H 45 8.920 8.453 0.467 2
1 547 . 1 1 A 45 45 ASP HA H 45 4.920 2.067 2.853 2
1 550 . 1 1 A 45 45 ASP C C 45 174.220 175.435 -1.215 2
1 551 . 1 1 A 45 45 ASP CA C 45 54.000 54.757 -0.757 2
1 552 . 1 1 A 45 45 ASP CB C 45 38.420 42.058 -3.638 2
1 553 . 1 1 A 45 45 ASP N N 45 127.530 123.786 3.744 2
1 554 . 1 1 A 46 46 ASP H H 46 8.090 7.720 0.370 2
1 555 . 1 1 A 46 46 ASP HA H 46 5.290 2.082 3.208 2
1 558 . 1 1 A 46 46 ASP C C 46 174.779 175.161 -0.382 2
1 559 . 1 1 A 46 46 ASP CA C 46 54.020 53.303 0.717 2
1 560 . 1 1 A 46 46 ASP CB C 46 41.100 43.077 -1.977 2
1 561 . 1 1 A 46 46 ASP N N 46 120.250 118.909 1.341 2
1 562 . 1 1 A 47 47 PHE H H 47 9.360 8.878 0.482 2
1 563 . 1 1 A 47 47 PHE HA H 47 5.050 2.215 2.835 2
1 568 . 1 1 A 47 47 PHE C C 47 176.260 174.478 1.782 2
1 569 . 1 1 A 47 47 PHE CA C 47 56.370 56.431 -0.061 2
1 570 . 1 1 A 47 47 PHE CB C 47 42.870 40.846 2.024 2
1 573 . 1 1 A 47 47 PHE N N 47 122.500 120.790 1.710 2
1 574 . 1 1 A 48 48 VAL H H 48 8.580 9.257 -0.677 2
1 575 . 1 1 A 48 48 VAL HA H 48 5.140 2.030 3.110 2
1 583 . 1 1 A 48 48 VAL C C 48 175.370 175.037 0.333 2
1 584 . 1 1 A 48 48 VAL CA C 48 62.200 61.389 0.811 2
1 585 . 1 1 A 48 48 VAL CB C 48 33.200 33.347 -0.147 2
1 588 . 1 1 A 48 48 VAL N N 48 121.930 122.112 -0.182 2
1 589 . 1 1 A 49 49 VAL H H 49 9.440 9.353 0.087 2
1 590 . 1 1 A 49 49 VAL HA H 49 5.140 2.181 2.959 2
1 598 . 1 1 A 49 49 VAL C C 49 175.840 174.964 0.876 2
1 599 . 1 1 A 49 49 VAL CA C 49 61.040 60.486 0.554 2
1 600 . 1 1 A 49 49 VAL CB C 49 33.660 34.963 -1.303 2
1 603 . 1 1 A 49 49 VAL N N 49 128.130 126.632 1.498 2
1 604 . 1 1 A 50 50 THR H H 50 9.810 8.891 0.919 2
1 605 . 1 1 A 50 50 THR HA H 50 5.530 2.247 3.283 2
1 610 . 1 1 A 50 50 THR C C 50 173.450 173.546 -0.096 2
1 611 . 1 1 A 50 50 THR CA C 50 61.070 61.423 -0.353 2
1 612 . 1 1 A 50 50 THR CB C 50 70.460 70.961 -0.501 2
1 614 . 1 1 A 50 50 THR N N 50 128.130 122.828 5.302 2
1 615 . 1 1 A 51 51 SER H H 51 9.380 9.139 0.241 2
1 616 . 1 1 A 51 51 SER HA H 51 5.380 2.190 3.190 2
1 618 . 1 1 A 51 51 SER C C 51 173.450 173.185 0.265 2
1 619 . 1 1 A 51 51 SER CA C 51 56.960 57.824 -0.864 2
1 620 . 1 1 A 51 51 SER CB C 51 64.590 64.498 0.092 2
1 621 . 1 1 A 51 51 SER N N 51 123.630 123.844 -0.214 2
1 622 . 1 1 A 52 52 LYS H H 52 9.610 8.864 0.746 2
1 623 . 1 1 A 52 52 LYS HA H 52 5.270 2.112 3.158 2
1 630 . 1 1 A 52 52 LYS C C 52 175.850 175.710 0.140 2
1 631 . 1 1 A 52 52 LYS CA C 52 56.370 55.383 0.987 2
1 632 . 1 1 A 52 52 LYS CB C 52 33.140 33.402 -0.262 2
1 636 . 1 1 A 52 52 LYS N N 52 125.220 126.012 -0.792 2
1 637 . 1 1 A 53 53 THR H H 53 8.630 8.273 0.357 2
1 638 . 1 1 A 53 53 THR HA H 53 5.040 2.132 2.908 2
1 643 . 1 1 A 53 53 THR C C 53 172.990 174.021 -1.031 2
1 644 . 1 1 A 53 53 THR CA C 53 59.290 59.035 0.255 2
1 645 . 1 1 A 53 53 THR CB C 53 69.290 70.185 -0.895 2
1 647 . 1 1 A 53 53 THR N N 53 115.190 116.197 -1.007 2
1 648 . 1 1 A 54 54 PRO HA H 54 4.390 1.956 2.434 2
1 655 . 1 1 A 54 54 PRO C C 54 177.230 176.974 0.256 2
1 656 . 1 1 A 54 54 PRO CA C 54 65.760 63.622 2.138 2
1 657 . 1 1 A 54 54 PRO CB C 54 31.720 31.151 0.569 2
1 660 . 1 1 A 55 55 ARG H H 55 7.960 8.278 -0.318 2
1 661 . 1 1 A 55 55 ARG HA H 55 4.540 2.004 2.536 2
1 668 . 1 1 A 55 55 ARG C C 55 175.430 175.069 0.361 2
1 669 . 1 1 A 55 55 ARG CA C 55 55.190 57.246 -2.056 2
1 670 . 1 1 A 55 55 ARG CB C 55 31.720 33.151 -1.431 2
1 673 . 1 1 A 55 55 ARG N N 55 111.250 119.217 -7.967 2
1 674 . 1 1 A 56 56 GLN H H 56 7.510 8.054 -0.544 2
1 675 . 1 1 A 56 56 GLN HA H 56 4.930 2.059 2.871 2
1 682 . 1 1 A 56 56 GLN C C 56 173.670 174.234 -0.564 2
1 683 . 1 1 A 56 56 GLN CA C 56 58.390 54.530 3.860 2
1 684 . 1 1 A 56 56 GLN CB C 56 31.720 31.856 -0.136 2
1 686 . 1 1 A 56 56 GLN N N 56 118.000 116.577 1.423 2
1 688 . 1 1 A 57 57 THR H H 57 8.630 8.630 0.000 2
1 689 . 1 1 A 57 57 THR HA H 57 5.530 2.175 3.355 2
1 694 . 1 1 A 57 57 THR C C 57 173.300 173.435 -0.135 2
1 695 . 1 1 A 57 57 THR CA C 57 64.450 61.498 2.952 2
1 696 . 1 1 A 57 57 THR CB C 57 71.630 71.624 0.006 2
1 698 . 1 1 A 57 57 THR N N 57 121.380 116.246 5.134 2
1 699 . 1 1 A 58 58 VAL H H 58 8.920 8.358 0.562 2
1 700 . 1 1 A 58 58 VAL HA H 58 5.100 2.058 3.042 2
1 705 . 1 1 A 58 58 VAL C C 58 173.800 173.537 0.263 2
1 706 . 1 1 A 58 58 VAL CA C 58 54.600 60.259 -5.659 2
1 707 . 1 1 A 58 58 VAL CB C 58 34.660 35.282 -0.622 2
1 709 . 1 1 A 58 58 VAL N N 58 125.320 122.809 2.511 2
1 710 . 1 1 A 59 59 THR H H 59 8.830 8.743 0.087 2
1 711 . 1 1 A 59 59 THR HA H 59 5.320 2.174 3.146 2
1 716 . 1 1 A 59 59 THR C C 59 172.980 173.449 -0.469 2
1 717 . 1 1 A 59 59 THR CA C 59 61.650 61.413 0.237 2
1 718 . 1 1 A 59 59 THR CB C 59 71.040 71.042 -0.002 2
1 720 . 1 1 A 59 59 THR N N 59 124.190 121.637 2.553 2
1 721 . 1 1 A 60 60 ASN H H 60 9.340 9.461 -0.121 2
1 722 . 1 1 A 60 60 ASN HA H 60 5.400 2.323 3.077 2
1 727 . 1 1 A 60 60 ASN C C 60 172.850 174.356 -1.506 2
1 728 . 1 1 A 60 60 ASN CA C 60 52.260 52.226 0.034 2
1 729 . 1 1 A 60 60 ASN CB C 60 43.460 41.523 1.937 2
1 730 . 1 1 A 60 60 ASN N N 60 124.730 125.309 -0.579 2
1 732 . 1 1 A 61 61 SER H H 61 8.890 8.968 -0.078 2
1 733 . 1 1 A 61 61 SER HA H 61 5.490 2.267 3.223 2
1 735 . 1 1 A 61 61 SER C C 61 172.560 173.385 -0.825 2
1 736 . 1 1 A 61 61 SER CA C 61 56.370 57.559 -1.189 2
1 737 . 1 1 A 61 61 SER CB C 61 65.600 65.283 0.317 2
1 738 . 1 1 A 61 61 SER N N 61 115.130 118.626 -3.496 2
1 739 . 1 1 A 62 62 PHE H H 62 8.330 8.425 -0.095 2
1 740 . 1 1 A 62 62 PHE HA H 62 5.060 2.465 2.595 2
1 745 . 1 1 A 62 62 PHE C C 62 172.600 173.500 -0.900 2
1 746 . 1 1 A 62 62 PHE CA C 62 56.370 55.506 0.864 2
1 747 . 1 1 A 62 62 PHE CB C 62 40.520 42.475 -1.955 2
1 750 . 1 1 A 62 62 PHE N N 62 117.430 121.266 -3.836 2
1 751 . 1 1 A 63 63 THR H H 63 9.710 8.953 0.757 2
1 752 . 1 1 A 63 63 THR HA H 63 5.550 2.008 3.542 2
1 757 . 1 1 A 63 63 THR C C 63 175.450 174.572 0.878 2
1 758 . 1 1 A 63 63 THR CA C 63 61.060 62.301 -1.241 2
1 759 . 1 1 A 63 63 THR CB C 63 71.630 69.745 1.885 2
1 761 . 1 1 A 63 63 THR N N 63 119.630 117.741 1.889 2
1 762 . 1 1 A 64 64 LEU H H 64 9.250 8.806 0.444 2
1 763 . 1 1 A 64 64 LEU HA H 64 4.410 1.728 2.682 2
1 773 . 1 1 A 64 64 LEU C C 64 178.310 177.835 0.475 2
1 774 . 1 1 A 64 64 LEU CA C 64 56.370 56.489 -0.119 2
1 775 . 1 1 A 64 64 LEU CB C 64 41.700 41.427 0.273 2
1 779 . 1 1 A 64 64 LEU N N 64 126.430 127.663 -1.233 2
1 780 . 1 1 A 65 65 GLY H H 65 9.121 9.175 -0.054 2
1 781 . 1 1 A 65 65 GLY HA2 H 65 4.280 4.038 0.242 2
1 782 . 1 1 A 65 65 GLY HA3 H 65 3.240 4.038 -0.798 2
1 783 . 1 1 A 65 65 GLY C C 65 173.200 173.568 -0.368 2
1 784 . 1 1 A 65 65 GLY CA C 65 45.800 45.305 0.495 2
1 785 . 1 1 A 65 65 GLY N N 65 107.310 112.509 -5.199 2
1 786 . 1 1 A 66 66 LYS H H 66 7.990 7.575 0.415 2
1 787 . 1 1 A 66 66 LYS HA H 66 4.790 2.115 2.675 2
1 793 . 1 1 A 66 66 LYS C C 66 175.500 175.007 0.493 2
1 794 . 1 1 A 66 66 LYS CA C 66 54.000 54.377 -0.377 2
1 795 . 1 1 A 66 66 LYS CB C 66 34.660 35.745 -1.085 2
1 799 . 1 1 A 66 66 LYS N N 66 120.820 120.018 0.802 2
1 800 . 1 1 A 67 67 GLU H H 67 8.880 8.615 0.265 2
1 801 . 1 1 A 67 67 GLU HA H 67 4.290 1.970 2.320 2
1 805 . 1 1 A 67 67 GLU C C 67 174.820 176.081 -1.261 2
1 806 . 1 1 A 67 67 GLU CA C 67 58.720 56.907 1.813 2
1 807 . 1 1 A 67 67 GLU CB C 67 29.960 30.421 -0.461 2
1 808 . 1 1 A 67 67 GLU N N 67 129.250 122.333 6.917 2
1 809 . 1 1 A 68 68 ALA H H 68 9.430 8.622 0.808 2
1 810 . 1 1 A 68 68 ALA HA H 68 4.920 2.217 2.703 2
1 814 . 1 1 A 68 68 ALA C C 68 175.630 175.209 0.421 2
1 815 . 1 1 A 68 68 ALA CA C 68 50.490 50.342 0.148 2
1 816 . 1 1 A 68 68 ALA CB C 68 22.910 23.700 -0.790 2
1 817 . 1 1 A 68 68 ALA N N 68 130.330 127.749 2.581 2
1 818 . 1 1 A 69 69 ASP H H 69 8.380 8.900 -0.520 2
1 819 . 1 1 A 69 69 ASP HA H 69 5.210 2.325 2.885 2
1 821 . 1 1 A 69 69 ASP C C 69 175.100 174.941 0.159 2
1 822 . 1 1 A 69 69 ASP CA C 69 53.440 52.917 0.523 2
1 823 . 1 1 A 69 69 ASP CB C 69 41.700 42.461 -0.761 2
1 824 . 1 1 A 69 69 ASP N N 69 119.630 120.183 -0.553 2
1 825 . 1 1 A 70 70 ILE H H 70 9.120 9.470 -0.350 2
1 826 . 1 1 A 70 70 ILE HA H 70 4.540 2.038 2.502 2
1 836 . 1 1 A 70 70 ILE C C 70 175.390 175.144 0.246 2
1 837 . 1 1 A 70 70 ILE CA C 70 56.960 60.428 -3.468 2
1 838 . 1 1 A 70 70 ILE CB C 70 38.760 38.569 0.191 2
1 842 . 1 1 A 70 70 ILE N N 70 126.430 125.204 1.226 2
1 843 . 1 1 A 71 71 THR H H 71 9.460 9.126 0.334 2
1 844 . 1 1 A 71 71 THR HA H 71 5.310 2.118 3.192 2
1 849 . 1 1 A 71 71 THR C C 71 174.985 174.010 0.975 2
1 850 . 1 1 A 71 71 THR CA C 71 61.650 61.968 -0.318 2
1 851 . 1 1 A 71 71 THR CB C 71 69.870 69.279 0.591 2
1 853 . 1 1 A 71 71 THR N N 71 123.630 123.835 -0.205 2
1 854 . 1 1 A 72 72 THR H H 72 9.090 8.584 0.506 2
1 855 . 1 1 A 72 72 THR HA H 72 4.350 1.991 2.359 2
1 860 . 1 1 A 72 72 THR C C 72 177.400 175.859 1.541 2
1 861 . 1 1 A 72 72 THR CA C 72 61.460 61.413 0.047 2
1 862 . 1 1 A 72 72 THR CB C 72 69.870 70.265 -0.395 2
1 864 . 1 1 A 72 72 THR N N 72 116.880 121.175 -4.295 2
1 865 . 1 1 A 73 73 MET HA H 73 4.140 1.831 2.309 2
1 873 . 1 1 A 73 73 MET C C 73 176.100 177.206 -1.106 2
1 874 . 1 1 A 73 73 MET CA C 73 58.700 57.491 1.209 2
1 875 . 1 1 A 73 73 MET CB C 73 33.480 32.353 1.127 2
1 877 . 1 1 A 74 74 ASP H H 74 8.590 7.953 0.637 2
1 878 . 1 1 A 74 74 ASP HA H 74 4.637 1.975 2.662 2
1 881 . 1 1 A 74 74 ASP C C 74 175.130 176.648 -1.518 2
1 882 . 1 1 A 74 74 ASP CA C 74 52.850 54.108 -1.258 2
1 883 . 1 1 A 74 74 ASP CB C 74 39.350 40.846 -1.496 2
1 884 . 1 1 A 74 74 ASP N N 74 112.930 118.014 -5.084 2
1 885 . 1 1 A 75 75 GLY H H 75 7.980 8.254 -0.274 2
1 886 . 1 1 A 75 75 GLY HA2 H 75 3.660 4.009 -0.349 2
1 887 . 1 1 A 75 75 GLY HA3 H 75 4.160 4.009 0.151 2
1 888 . 1 1 A 75 75 GLY C C 75 174.725 173.819 0.906 2
1 889 . 1 1 A 75 75 GLY CA C 75 45.800 45.597 0.203 2
1 890 . 1 1 A 75 75 GLY N N 75 107.880 108.388 -0.508 2
1 891 . 1 1 A 76 76 LYS H H 76 7.850 7.833 0.017 2
1 892 . 1 1 A 76 76 LYS HA H 76 4.396 2.034 2.362 2
1 898 . 1 1 A 76 76 LYS C C 76 174.820 175.294 -0.474 2
1 899 . 1 1 A 76 76 LYS CA C 76 55.780 54.646 1.134 2
1 900 . 1 1 A 76 76 LYS CB C 76 32.890 35.014 -2.124 2
1 904 . 1 1 A 76 76 LYS N N 76 121.380 118.333 3.047 2
1 905 . 1 1 A 77 77 LYS H H 77 8.210 8.729 -0.519 2
1 906 . 1 1 A 77 77 LYS HA H 77 5.410 2.187 3.223 2
1 912 . 1 1 A 77 77 LYS C C 77 176.200 175.193 1.007 2
1 913 . 1 1 A 77 77 LYS CA C 77 54.600 55.090 -0.490 2
1 914 . 1 1 A 77 77 LYS CB C 77 34.060 34.586 -0.526 2
1 918 . 1 1 A 77 77 LYS N N 77 119.130 121.845 -2.715 2
1 919 . 1 1 A 78 78 LEU H H 78 9.310 9.001 0.309 2
1 920 . 1 1 A 78 78 LEU HA H 78 4.790 2.208 2.582 2
1 929 . 1 1 A 78 78 LEU C C 78 175.100 174.514 0.586 2
1 930 . 1 1 A 78 78 LEU CA C 78 54.000 53.591 0.409 2
1 931 . 1 1 A 78 78 LEU CB C 78 44.630 45.873 -1.243 2
1 935 . 1 1 A 78 78 LEU N N 78 123.630 123.708 -0.078 2
1 936 . 1 1 A 79 79 LYS H H 79 8.430 8.831 -0.401 2
1 937 . 1 1 A 79 79 LYS HA H 79 5.530 2.139 3.391 2
1 942 . 1 1 A 79 79 LYS CA C 79 54.020 55.189 -1.169 2
1 943 . 1 1 A 79 79 LYS CB C 79 32.890 34.236 -1.346 2
1 947 . 1 1 A 79 79 LYS N N 79 121.930 125.086 -3.156 2
1 948 . 1 1 A 80 80 CYS H H 80 8.910 8.792 0.118 2
1 949 . 1 1 A 80 80 CYS HA H 80 4.990 2.198 2.792 2
1 952 . 1 1 A 80 80 CYS C C 80 175.870 172.854 3.016 2
1 953 . 1 1 A 80 80 CYS CA C 80 56.940 57.024 -0.084 2
1 954 . 1 1 A 80 80 CYS CB C 80 31.130 31.790 -0.660 2
1 955 . 1 1 A 80 80 CYS N N 80 117.930 122.351 -4.421 2
1 956 . 1 1 A 81 81 THR H H 81 8.620 8.693 -0.073 2
1 957 . 1 1 A 81 81 THR HA H 81 5.210 2.136 3.074 2
1 962 . 1 1 A 81 81 THR C C 81 172.330 173.351 -1.021 2
1 963 . 1 1 A 81 81 THR CA C 81 61.070 61.687 -0.617 2
1 964 . 1 1 A 81 81 THR CB C 81 69.870 69.912 -0.042 2
1 966 . 1 1 A 81 81 THR N N 81 116.330 116.561 -0.231 2
1 967 . 1 1 A 82 82 VAL H H 82 9.510 8.953 0.557 2
1 968 . 1 1 A 82 82 VAL HA H 82 4.313 2.074 2.239 2
1 976 . 1 1 A 82 82 VAL C C 82 175.200 174.613 0.587 2
1 977 . 1 1 A 82 82 VAL CA C 82 61.060 60.296 0.764 2
1 978 . 1 1 A 82 82 VAL CB C 82 32.300 33.888 -1.588 2
1 981 . 1 1 A 82 82 VAL N N 82 132.030 127.532 4.498 2
1 982 . 1 1 A 83 83 HIS H H 83 8.802 8.619 0.183 2
1 983 . 1 1 A 83 83 HIS HA H 83 4.973 2.391 2.582 2
1 987 . 1 1 A 83 83 HIS C C 83 173.400 173.002 0.398 2
1 988 . 1 1 A 83 83 HIS CA C 83 55.020 53.695 1.325 2
1 989 . 1 1 A 83 83 HIS CB C 83 34.000 33.016 0.984 2
1 991 . 1 1 A 83 83 HIS N N 83 124.190 125.108 -0.918 2
1 992 . 1 1 A 84 84 LEU H H 84 8.833 8.860 -0.027 2
1 993 . 1 1 A 84 84 LEU HA H 84 5.355 2.061 3.294 2
1 1003 . 1 1 A 84 84 LEU C C 84 176.400 174.987 1.413 2
1 1004 . 1 1 A 84 84 LEU CA C 84 53.710 54.011 -0.301 2
1 1005 . 1 1 A 84 84 LEU CB C 84 44.050 43.460 0.590 2
1 1009 . 1 1 A 84 84 LEU N N 84 122.500 126.404 -3.904 2
1 1010 . 1 1 A 85 85 ALA H H 85 9.406 8.812 0.594 2
1 1011 . 1 1 A 85 85 ALA HA H 85 4.760 2.065 2.695 2
1 1015 . 1 1 A 85 85 ALA C C 85 176.900 177.228 -0.328 2
1 1016 . 1 1 A 85 85 ALA CA C 85 51.080 50.671 0.409 2
1 1017 . 1 1 A 85 85 ALA CB C 85 20.460 20.631 -0.171 2
1 1018 . 1 1 A 85 85 ALA N N 85 130.380 129.167 1.213 2
1 1019 . 1 1 A 86 86 ASN HA H 86 4.450 1.908 2.542 2
1 1024 . 1 1 A 86 86 ASN C C 86 175.200 174.757 0.443 2
1 1025 . 1 1 A 86 86 ASN CA C 86 54.020 54.227 -0.207 2
1 1026 . 1 1 A 86 86 ASN CB C 86 34.790 37.445 -2.655 2
1 1028 . 1 1 A 87 87 GLY H H 87 8.600 8.501 0.099 2
1 1029 . 1 1 A 87 87 GLY HA2 H 87 3.757 3.964 -0.207 2
1 1030 . 1 1 A 87 87 GLY HA3 H 87 4.326 3.964 0.362 2
1 1031 . 1 1 A 87 87 GLY C C 87 172.970 173.746 -0.776 2
1 1032 . 1 1 A 87 87 GLY CA C 87 45.800 45.323 0.477 2
1 1033 . 1 1 A 87 87 GLY N N 87 102.830 104.394 -1.564 2
1 1034 . 1 1 A 88 88 LYS H H 88 7.927 7.702 0.225 2
1 1035 . 1 1 A 88 88 LYS HA H 88 5.108 1.987 3.121 2
1 1041 . 1 1 A 88 88 LYS C C 88 175.280 175.316 -0.036 2
1 1042 . 1 1 A 88 88 LYS CA C 88 54.590 55.303 -0.713 2
1 1043 . 1 1 A 88 88 LYS CB C 88 34.660 33.775 0.885 2
1 1047 . 1 1 A 88 88 LYS N N 88 120.230 121.174 -0.944 2
1 1048 . 1 1 A 89 89 LEU H H 89 8.610 8.932 -0.322 2
1 1049 . 1 1 A 89 89 LEU HA H 89 5.200 2.074 3.126 2
1 1058 . 1 1 A 89 89 LEU C C 89 175.400 175.726 -0.326 2
1 1059 . 1 1 A 89 89 LEU CA C 89 54.000 53.745 0.255 2
1 1060 . 1 1 A 89 89 LEU CB C 89 41.700 41.256 0.444 2
1 1064 . 1 1 A 89 89 LEU N N 89 122.430 127.591 -5.161 2
1 1065 . 1 1 A 90 90 VAL H H 90 9.470 8.502 0.968 2
1 1066 . 1 1 A 90 90 VAL HA H 90 4.558 2.121 2.437 2
1 1071 . 1 1 A 90 90 VAL C C 90 175.020 175.089 -0.069 2
1 1072 . 1 1 A 90 90 VAL CA C 90 61.200 60.851 0.349 2
1 1073 . 1 1 A 90 90 VAL CB C 90 32.550 33.346 -0.796 2
1 1075 . 1 1 A 90 90 VAL N N 90 122.500 125.540 -3.040 2
1 1076 . 1 1 A 91 91 THR H H 91 8.830 8.669 0.161 2
1 1077 . 1 1 A 91 91 THR HA H 91 4.760 2.096 2.664 2
1 1082 . 1 1 A 91 91 THR C C 91 173.200 172.055 1.145 2
1 1083 . 1 1 A 91 91 THR CA C 91 62.190 60.572 1.618 2
1 1084 . 1 1 A 91 91 THR CB C 91 69.870 70.863 -0.993 2
1 1086 . 1 1 A 91 91 THR N N 91 124.190 120.260 3.930 2
1 1087 . 1 1 A 92 92 LYS H H 92 9.170 8.692 0.478 2
1 1088 . 1 1 A 92 92 LYS HA H 92 4.758 2.045 2.713 2
1 1094 . 1 1 A 92 92 LYS C C 92 174.440 174.719 -0.279 2
1 1095 . 1 1 A 92 92 LYS CA C 92 55.180 55.722 -0.542 2
1 1096 . 1 1 A 92 92 LYS CB C 92 35.240 36.228 -0.988 2
1 1100 . 1 1 A 92 92 LYS N N 92 125.330 127.793 -2.463 2
1 1101 . 1 1 A 93 93 SER H H 93 8.320 8.862 -0.542 2
1 1103 . 1 1 A 93 93 SER C C 93 173.740 175.011 -1.271 2
1 1104 . 1 1 A 93 93 SER CA C 93 55.200 57.344 -2.144 2
1 1105 . 1 1 A 93 93 SER CB C 93 62.000 66.022 -4.022 2
1 1106 . 1 1 A 93 93 SER N N 93 118.030 120.666 -2.636 2
1 1107 . 1 1 A 94 94 GLU H H 94 8.760 8.817 -0.057 2
1 1108 . 1 1 A 94 94 GLU HA H 94 4.310 1.791 2.519 2
1 1109 . 1 1 A 94 94 GLU CA C 94 54.100 59.595 -5.495 2
1 1110 . 1 1 A 94 94 GLU N N 94 120.810 122.180 -1.370 2
1 1118 . 1 1 A 95 95 LYS CB C 95 34.650 32.987 1.663 2
1 1122 . 1 1 A 96 96 PHE H H 96 7.140 7.846 -0.706 2
1 1123 . 1 1 A 96 96 PHE HA H 96 5.810 2.176 3.634 2
1 1128 . 1 1 A 96 96 PHE CA C 96 56.350 56.870 -0.520 2
1 1129 . 1 1 A 96 96 PHE CB C 96 43.460 42.475 0.985 2
1 1132 . 1 1 A 96 96 PHE N N 96 113.530 123.363 -9.833 2
1 1133 . 1 1 A 97 97 SER H H 97 8.660 8.209 0.451 2
1 1134 . 1 1 A 97 97 SER HA H 97 5.810 2.332 3.478 2
1 1137 . 1 1 A 97 97 SER CA C 97 57.540 56.719 0.821 2
1 1138 . 1 1 A 97 97 SER CB C 97 66.350 65.731 0.619 2
1 1139 . 1 1 A 97 97 SER N N 97 111.810 123.076 -11.266 2
1 1140 . 1 1 A 98 98 HIS H H 98 9.440 8.293 1.147 2
1 1141 . 1 1 A 98 98 HIS HA H 98 5.780 2.199 3.581 2
1 1145 . 1 1 A 98 98 HIS CA C 98 58.580 55.027 3.553 2
1 1146 . 1 1 A 98 98 HIS CB C 98 35.240 33.025 2.215 2
1 1147 . 1 1 A 98 98 HIS N N 98 125.830 124.025 1.805 2
1 1148 . 1 1 A 99 99 GLU HA H 99 5.410 2.127 3.283 2
1 1152 . 1 1 A 99 99 GLU CA C 99 54.600 54.560 0.040 2
1 1153 . 1 1 A 99 99 GLU CB C 99 34.060 32.937 1.123 2
1 1155 . 1 1 A 100 100 GLN H H 100 9.060 8.580 0.480 2
1 1156 . 1 1 A 100 100 GLN HA H 100 5.150 2.204 2.946 2
1 1161 . 1 1 A 100 100 GLN CA C 100 53.000 54.511 -1.511 2
1 1162 . 1 1 A 100 100 GLN CB C 100 34.060 32.104 1.956 2
1 1163 . 1 1 A 100 100 GLN N N 100 124.730 123.319 1.411 2
1 1164 . 1 1 A 101 101 GLU H H 101 9.110 8.837 0.273 2
1 1165 . 1 1 A 101 101 GLU HA H 101 5.110 2.177 2.933 2
1 1168 . 1 1 A 101 101 GLU C C 101 173.630 174.850 -1.220 2
1 1169 . 1 1 A 101 101 GLU CA C 101 54.600 55.186 -0.586 2
1 1170 . 1 1 A 101 101 GLU CB C 101 33.480 32.031 1.449 2
1 1171 . 1 1 A 101 101 GLU N N 101 126.430 124.453 1.977 2
1 1172 . 1 1 A 102 102 VAL H H 102 8.900 8.945 -0.045 2
1 1173 . 1 1 A 102 102 VAL HA H 102 4.650 2.026 2.624 2
1 1181 . 1 1 A 102 102 VAL C C 102 175.060 174.882 0.178 2
1 1182 . 1 1 A 102 102 VAL CA C 102 61.020 61.452 -0.432 2
1 1183 . 1 1 A 102 102 VAL CB C 102 34.060 33.058 1.002 2
1 1186 . 1 1 A 102 102 VAL N N 102 125.310 125.858 -0.548 2
1 1187 . 1 1 A 103 103 LYS H H 103 9.007 8.994 0.013 2
1 1188 . 1 1 A 103 103 LYS HA H 103 4.660 1.987 2.673 2
1 1194 . 1 1 A 103 103 LYS C C 103 176.600 176.578 0.022 2
1 1195 . 1 1 A 103 103 LYS CA C 103 55.180 55.142 0.038 2
1 1196 . 1 1 A 103 103 LYS CB C 103 33.480 33.660 -0.180 2
1 1200 . 1 1 A 103 103 LYS N N 103 129.210 126.207 3.003 2
1 1201 . 1 1 A 104 104 GLY H H 104 9.190 8.914 0.276 2
1 1202 . 1 1 A 104 104 GLY HA2 H 104 3.760 3.950 -0.190 2
1 1203 . 1 1 A 104 104 GLY HA3 H 104 4.080 3.950 0.130 2
1 1204 . 1 1 A 104 104 GLY C C 104 174.000 174.592 -0.592 2
1 1205 . 1 1 A 104 104 GLY CA C 104 47.380 47.178 0.202 2
1 1206 . 1 1 A 104 104 GLY N N 104 117.410 114.769 2.641 2
1 1207 . 1 1 A 105 105 ASN H H 105 9.120 8.585 0.535 2
1 1208 . 1 1 A 105 105 ASN HA H 105 5.050 2.103 2.947 2
1 1213 . 1 1 A 105 105 ASN C C 105 173.440 174.222 -0.782 2
1 1214 . 1 1 A 105 105 ASN CA C 105 52.830 52.668 0.162 2
1 1215 . 1 1 A 105 105 ASN CB C 105 39.350 39.527 -0.177 2
1 1216 . 1 1 A 105 105 ASN N N 105 126.410 123.130 3.280 2
1 1217 . 1 1 A 106 106 GLU H H 106 8.153 7.677 0.476 2
1 1218 . 1 1 A 106 106 GLU HA H 106 5.610 2.162 3.448 2
1 1223 . 1 1 A 106 106 GLU C C 106 173.490 174.418 -0.928 2
1 1224 . 1 1 A 106 106 GLU CA C 106 55.200 54.967 0.233 2
1 1225 . 1 1 A 106 106 GLU CB C 106 32.890 33.490 -0.600 2
1 1227 . 1 1 A 106 106 GLU N N 106 120.250 119.789 0.461 2
1 1228 . 1 1 A 107 107 MET H H 107 8.970 9.123 -0.153 2
1 1229 . 1 1 A 107 107 MET HA H 107 5.137 2.217 2.920 2
1 1237 . 1 1 A 107 107 MET C C 107 174.790 174.408 0.382 2
1 1238 . 1 1 A 107 107 MET CA C 107 54.320 53.637 0.683 2
1 1239 . 1 1 A 107 107 MET CB C 107 35.830 34.712 1.118 2
1 1242 . 1 1 A 107 107 MET N N 107 124.190 124.491 -0.301 2
1 1243 . 1 1 A 108 108 VAL H H 108 9.140 8.819 0.321 2
1 1244 . 1 1 A 108 108 VAL HA H 108 4.820 2.091 2.729 2
1 1249 . 1 1 A 108 108 VAL C C 108 175.200 174.757 0.443 2
1 1250 . 1 1 A 108 108 VAL CA C 108 61.040 60.504 0.536 2
1 1251 . 1 1 A 108 108 VAL CB C 108 34.070 33.954 0.116 2
1 1253 . 1 1 A 108 108 VAL N N 108 126.440 124.086 2.354 2
1 1254 . 1 1 A 109 109 GLU H H 109 9.169 8.911 0.258 2
1 1255 . 1 1 A 109 109 GLU HA H 109 5.440 2.177 3.263 2
1 1259 . 1 1 A 109 109 GLU C C 109 174.260 174.731 -0.471 2
1 1260 . 1 1 A 109 109 GLU CA C 109 53.700 54.401 -0.701 2
1 1261 . 1 1 A 109 109 GLU CB C 109 32.290 33.146 -0.856 2
1 1263 . 1 1 A 109 109 GLU N N 109 128.110 124.208 3.902 2
1 1264 . 1 1 A 110 110 THR H H 110 8.920 8.339 0.581 2
1 1265 . 1 1 A 110 110 THR HA H 110 5.174 2.157 3.017 2
1 1270 . 1 1 A 110 110 THR C C 110 174.780 173.720 1.060 2
1 1271 . 1 1 A 110 110 THR CA C 110 60.700 61.118 -0.418 2
1 1272 . 1 1 A 110 110 THR CB C 110 69.870 70.428 -0.558 2
1 1274 . 1 1 A 110 110 THR N N 110 119.130 115.038 4.092 2
1 1275 . 1 1 A 111 111 ILE H H 111 9.410 8.996 0.414 2
1 1276 . 1 1 A 111 111 ILE HA H 111 5.320 2.070 3.250 2
1 1286 . 1 1 A 111 111 ILE C C 111 174.820 174.395 0.425 2
1 1287 . 1 1 A 111 111 ILE CA C 111 60.310 59.428 0.882 2
1 1288 . 1 1 A 111 111 ILE CB C 111 40.520 40.776 -0.256 2
1 1292 . 1 1 A 111 111 ILE N N 111 128.110 125.306 2.804 2
1 1293 . 1 1 A 112 112 THR H H 112 9.346 8.181 1.165 2
1 1294 . 1 1 A 112 112 THR HA H 112 5.840 2.006 3.834 2
1 1299 . 1 1 A 112 112 THR C C 112 173.920 173.825 0.095 2
1 1300 . 1 1 A 112 112 THR CA C 112 61.070 61.752 -0.682 2
1 1301 . 1 1 A 112 112 THR CB C 112 70.460 68.788 1.672 2
1 1303 . 1 1 A 112 112 THR N N 112 123.630 122.588 1.042 2
1 1304 . 1 1 A 113 113 PHE H H 113 9.330 8.809 0.521 2
1 1305 . 1 1 A 113 113 PHE HA H 113 4.861 2.117 2.744 2
1 1310 . 1 1 A 113 113 PHE C C 113 175.430 175.780 -0.350 2
1 1311 . 1 1 A 113 113 PHE CA C 113 58.700 56.509 2.191 2
1 1312 . 1 1 A 113 113 PHE CB C 113 43.150 40.916 2.234 2
1 1315 . 1 1 A 113 113 PHE N N 113 125.330 125.584 -0.254 2
1 1316 . 1 1 A 114 114 GLY H H 114 8.485 9.209 -0.724 2
1 1317 . 1 1 A 114 114 GLY HA2 H 114 3.500 3.973 -0.473 2
1 1318 . 1 1 A 114 114 GLY HA3 H 114 3.500 3.973 -0.473 2
1 1319 . 1 1 A 114 114 GLY C C 114 175.180 174.741 0.439 2
1 1320 . 1 1 A 114 114 GLY CA C 114 46.700 46.793 -0.093 2
1 1321 . 1 1 A 114 114 GLY N N 114 115.730 114.122 1.608 2
1 1322 . 1 1 A 115 115 GLY H H 115 8.582 8.572 0.010 2
1 1323 . 1 1 A 115 115 GLY HA2 H 115 3.637 4.115 -0.478 2
1 1324 . 1 1 A 115 115 GLY HA3 H 115 4.196 4.115 0.081 2
1 1325 . 1 1 A 115 115 GLY C C 115 173.680 173.637 0.043 2
1 1326 . 1 1 A 115 115 GLY CA C 115 44.480 45.358 -0.878 2
1 1327 . 1 1 A 115 115 GLY N N 115 105.040 110.478 -5.438 2
1 1328 . 1 1 A 116 116 VAL H H 116 8.199 7.612 0.587 2
1 1329 . 1 1 A 116 116 VAL HA H 116 4.353 2.016 2.337 2
1 1337 . 1 1 A 116 116 VAL C C 116 174.100 174.261 -0.161 2
1 1338 . 1 1 A 116 116 VAL CA C 116 61.650 59.871 1.779 2
1 1339 . 1 1 A 116 116 VAL CB C 116 33.970 34.665 -0.695 2
1 1342 . 1 1 A 116 116 VAL N N 116 123.630 120.708 2.922 2
1 1343 . 1 1 A 117 117 THR H H 117 8.797 8.732 0.065 2
1 1344 . 1 1 A 117 117 THR HA H 117 5.323 2.138 3.185 2
1 1349 . 1 1 A 117 117 THR C C 117 173.510 173.961 -0.451 2
1 1350 . 1 1 A 117 117 THR CA C 117 61.650 61.625 0.025 2
1 1351 . 1 1 A 117 117 THR CB C 117 69.840 70.030 -0.190 2
1 1353 . 1 1 A 117 117 THR N N 117 123.030 121.579 1.451 2
1 1354 . 1 1 A 118 118 LEU H H 118 9.491 9.254 0.237 2
1 1355 . 1 1 A 118 118 LEU HA H 118 4.800 2.099 2.701 2
1 1365 . 1 1 A 118 118 LEU C C 118 175.250 175.664 -0.414 2
1 1366 . 1 1 A 118 118 LEU CA C 118 53.420 53.402 0.018 2
1 1367 . 1 1 A 118 118 LEU CB C 118 43.970 44.159 -0.189 2
1 1371 . 1 1 A 118 118 LEU N N 118 131.530 126.230 5.300 2
1 1372 . 1 1 A 119 119 ILE H H 119 7.902 8.942 -1.040 2
1 1373 . 1 1 A 119 119 ILE HA H 119 5.127 2.011 3.116 2
1 1383 . 1 1 A 119 119 ILE C C 119 175.450 174.161 1.289 2
1 1384 . 1 1 A 119 119 ILE CA C 119 59.780 60.361 -0.581 2
1 1385 . 1 1 A 119 119 ILE CB C 119 39.350 39.562 -0.212 2
1 1389 . 1 1 A 119 119 ILE N N 119 125.320 123.735 1.585 2
1 1390 . 1 1 A 120 120 ARG H H 120 9.550 9.000 0.550 2
1 1391 . 1 1 A 120 120 ARG HA H 120 5.420 2.170 3.250 2
1 1395 . 1 1 A 120 120 ARG C C 120 174.890 174.630 0.260 2
1 1396 . 1 1 A 120 120 ARG CA C 120 54.610 54.665 -0.055 2
1 1397 . 1 1 A 120 120 ARG CB C 120 34.060 32.437 1.623 2
1 1400 . 1 1 A 120 120 ARG N N 120 126.430 128.742 -2.312 2
1 1401 . 1 1 A 121 121 ARG H H 121 9.250 8.649 0.601 2
1 1402 . 1 1 A 121 121 ARG HA H 121 5.410 2.131 3.279 2
1 1409 . 1 1 A 121 121 ARG C C 121 174.780 174.797 -0.017 2
1 1410 . 1 1 A 121 121 ARG CA C 121 54.770 54.764 0.006 2
1 1411 . 1 1 A 121 121 ARG CB C 121 31.650 31.687 -0.037 2
1 1414 . 1 1 A 121 121 ARG N N 121 128.130 127.244 0.886 2
1 1415 . 1 1 A 122 122 SER H H 122 9.617 9.011 0.606 2
1 1416 . 1 1 A 122 122 SER HA H 122 5.819 2.260 3.559 2
1 1419 . 1 1 A 122 122 SER C C 122 172.460 174.052 -1.592 2
1 1420 . 1 1 A 122 122 SER CA C 122 57.540 57.493 0.047 2
1 1421 . 1 1 A 122 122 SER CB C 122 66.939 64.959 1.980 2
1 1422 . 1 1 A 122 122 SER N N 122 118.000 122.425 -4.425 2
1 1423 . 1 1 A 123 123 LYS H H 123 8.699 9.379 -0.680 2
1 1424 . 1 1 A 123 123 LYS HA H 123 5.801 2.170 3.631 2
1 1430 . 1 1 A 123 123 LYS C C 123 175.440 176.445 -1.005 2
1 1431 . 1 1 A 123 123 LYS CA C 123 53.430 54.550 -1.120 2
1 1432 . 1 1 A 123 123 LYS CB C 123 35.830 35.229 0.601 2
1 1436 . 1 1 A 123 123 LYS N N 123 120.260 122.980 -2.720 2
1 1437 . 1 1 A 124 124 ARG H H 124 8.256 8.361 -0.105 2
1 1438 . 1 1 A 124 124 ARG HA H 124 4.040 1.921 2.119 2
1 1445 . 1 1 A 124 124 ARG C C 124 176.530 176.090 0.440 2
1 1446 . 1 1 A 124 124 ARG CA C 124 56.960 56.015 0.945 2
1 1447 . 1 1 A 124 124 ARG CB C 124 30.540 29.139 1.401 2
1 1450 . 1 1 A 124 124 ARG N N 124 124.780 119.243 5.537 2
stop_
save_