data_16347_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16347
_Entry.PDB_ID 2KJZ
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 16 . 1 1 1 A 24 24 THR H H 2 8.350 8.122 0.228 1
1 17 . 1 1 1 A 24 24 THR HA H 2 4.470 4.394 0.076 1
1 22 . 1 1 1 A 24 24 THR CA C 2 61.890 62.449 -0.559 1
1 23 . 1 1 1 A 24 24 THR CB C 2 69.630 69.667 -0.037 1
1 25 . 1 1 1 A 24 24 THR N N 2 117.720 114.247 3.473 1
1 26 . 1 1 1 A 25 25 HIS H H 3 8.630 8.890 -0.260 1
1 27 . 1 1 1 A 25 25 HIS HA H 3 5.200 5.025 0.175 1
1 30 . 1 1 1 A 25 25 HIS CA C 3 51.620 53.917 -2.297 1
1 31 . 1 1 1 A 25 25 HIS CB C 3 33.320 31.076 2.244 1
1 32 . 1 1 1 A 25 25 HIS N N 3 124.890 125.957 -1.067 1
1 33 . 1 1 1 A 26 26 PRO HA H 4 4.170 4.842 -0.672 1
1 40 . 1 1 1 A 26 26 PRO C C 4 175.740 176.887 -1.147 1
1 41 . 1 1 1 A 26 26 PRO CA C 4 62.740 62.207 0.533 1
1 42 . 1 1 1 A 26 26 PRO CB C 4 31.460 31.891 -0.431 1
1 45 . 1 1 1 A 27 27 ASP H H 5 8.270 8.506 -0.236 1
1 46 . 1 1 1 A 27 27 ASP HA H 5 4.810 4.726 0.084 1
1 49 . 1 1 1 A 27 27 ASP C C 5 175.400 175.405 -0.005 1
1 50 . 1 1 1 A 27 27 ASP CA C 5 53.310 53.855 -0.545 1
1 51 . 1 1 1 A 27 27 ASP CB C 5 42.390 40.691 1.699 1
1 52 . 1 1 1 A 27 27 ASP N N 5 119.440 120.660 -1.220 1
1 53 . 1 1 1 A 28 28 PHE H H 6 7.280 7.787 -0.507 1
1 54 . 1 1 1 A 28 28 PHE HA H 6 5.440 5.180 0.260 1
1 61 . 1 1 1 A 28 28 PHE C C 6 174.180 173.257 0.923 1
1 62 . 1 1 1 A 28 28 PHE CA C 6 54.590 56.094 -1.504 1
1 63 . 1 1 1 A 28 28 PHE CB C 6 42.310 42.200 0.110 1
1 66 . 1 1 1 A 28 28 PHE N N 6 118.410 120.339 -1.929 1
1 67 . 1 1 1 A 29 29 THR H H 7 8.500 9.270 -0.770 1
1 68 . 1 1 1 A 29 29 THR HA H 7 4.800 5.173 -0.373 1
1 73 . 1 1 1 A 29 29 THR C C 7 172.280 172.852 -0.572 1
1 74 . 1 1 1 A 29 29 THR CA C 7 62.550 59.673 2.877 1
1 75 . 1 1 1 A 29 29 THR CB C 7 70.420 71.492 -1.072 1
1 77 . 1 1 1 A 29 29 THR N N 7 123.070 122.016 1.054 1
1 78 . 1 1 1 A 30 30 ILE H H 8 9.270 9.142 0.128 1
1 79 . 1 1 1 A 30 30 ILE HA H 8 4.680 4.922 -0.242 1
1 89 . 1 1 1 A 30 30 ILE C C 8 173.970 174.540 -0.570 1
1 90 . 1 1 1 A 30 30 ILE CA C 8 59.220 59.736 -0.516 1
1 91 . 1 1 1 A 30 30 ILE CB C 8 40.210 40.947 -0.737 1
1 95 . 1 1 1 A 30 30 ILE N N 8 126.920 127.795 -0.875 1
1 96 . 1 1 1 A 31 31 LEU H H 9 8.760 9.064 -0.304 1
1 97 . 1 1 1 A 31 31 LEU HA H 9 4.330 4.989 -0.659 1
1 107 . 1 1 1 A 31 31 LEU C C 9 176.520 175.093 1.427 1
1 108 . 1 1 1 A 31 31 LEU CA C 9 52.960 52.848 0.112 1
1 109 . 1 1 1 A 31 31 LEU CB C 9 41.820 43.386 -1.566 1
1 113 . 1 1 1 A 31 31 LEU N N 9 126.000 127.471 -1.471 1
1 114 . 1 1 1 A 32 32 TYR H H 10 8.190 9.154 -0.964 1
1 115 . 1 1 1 A 32 32 TYR HA H 10 5.980 5.261 0.719 1
1 118 . 1 1 1 A 32 32 TYR C C 10 177.720 175.841 1.879 1
1 119 . 1 1 1 A 32 32 TYR CA C 10 53.120 57.287 -4.167 1
1 120 . 1 1 1 A 32 32 TYR CB C 10 36.560 39.416 -2.856 1
1 121 . 1 1 1 A 32 32 TYR N N 10 122.130 123.495 -1.365 1
1 122 . 1 1 1 A 33 33 VAL H H 11 8.470 8.828 -0.358 1
1 123 . 1 1 1 A 33 33 VAL HA H 11 4.990 4.959 0.031 1
1 131 . 1 1 1 A 33 33 VAL C C 11 176.030 175.760 0.270 1
1 132 . 1 1 1 A 33 33 VAL CA C 11 58.240 59.234 -0.994 1
1 133 . 1 1 1 A 33 33 VAL CB C 11 35.090 34.667 0.423 1
1 136 . 1 1 1 A 33 33 VAL N N 11 113.820 120.129 -6.309 1
1 137 . 1 1 1 A 34 34 ASP H H 12 9.750 9.038 0.712 1
1 138 . 1 1 1 A 34 34 ASP HA H 12 4.550 4.844 -0.294 1
1 141 . 1 1 1 A 34 34 ASP C C 12 177.230 175.449 1.781 1
1 142 . 1 1 1 A 34 34 ASP CA C 12 58.000 56.095 1.905 1
1 143 . 1 1 1 A 34 34 ASP CB C 12 42.780 41.745 1.035 1
1 144 . 1 1 1 A 34 34 ASP N N 12 124.140 121.806 2.334 1
1 145 . 1 1 1 A 35 35 ASN H H 13 9.250 7.966 1.284 1
1 146 . 1 1 1 A 35 35 ASN HA H 13 5.120 5.035 0.085 1
1 151 . 1 1 1 A 35 35 ASN CA C 13 50.610 49.901 0.709 1
1 152 . 1 1 1 A 35 35 ASN CB C 13 39.920 39.282 0.638 1
1 153 . 1 1 1 A 35 35 ASN N N 13 114.460 117.104 -2.644 1
1 155 . 1 1 1 A 37 37 PRO HA H 15 4.350 4.254 0.096 1
1 162 . 1 1 1 A 37 37 PRO C C 15 179.310 179.374 -0.064 1
1 163 . 1 1 1 A 37 37 PRO CA C 15 67.480 66.690 0.790 1
1 164 . 1 1 1 A 37 37 PRO CB C 15 31.340 30.736 0.604 1
1 167 . 1 1 1 A 38 38 ALA H H 16 7.740 8.200 -0.460 1
1 168 . 1 1 1 A 38 38 ALA HA H 16 4.310 4.133 0.177 1
1 172 . 1 1 1 A 38 38 ALA C C 16 182.490 180.366 2.124 1
1 173 . 1 1 1 A 38 38 ALA CA C 16 55.160 55.130 0.030 1
1 174 . 1 1 1 A 38 38 ALA CB C 16 18.360 18.339 0.021 1
1 175 . 1 1 1 A 38 38 ALA N N 16 121.510 119.400 2.110 1
1 176 . 1 1 1 A 39 39 SER H H 17 8.770 7.748 1.022 1
1 177 . 1 1 1 A 39 39 SER HA H 17 4.190 4.392 -0.202 1
1 180 . 1 1 1 A 39 39 SER C C 17 175.610 176.704 -1.094 1
1 181 . 1 1 1 A 39 39 SER CA C 17 64.260 61.736 2.524 1
1 182 . 1 1 1 A 39 39 SER CB C 17 62.790 63.371 -0.581 1
1 183 . 1 1 1 A 39 39 SER N N 17 117.520 114.598 2.922 1
1 184 . 1 1 1 A 40 40 THR H H 18 9.310 8.052 1.258 1
1 185 . 1 1 1 A 40 40 THR HA H 18 4.480 4.320 0.160 1
1 190 . 1 1 1 A 40 40 THR C C 18 175.590 177.298 -1.708 1
1 191 . 1 1 1 A 40 40 THR CA C 18 68.130 66.005 2.125 1
1 192 . 1 1 1 A 40 40 THR CB C 18 68.480 68.982 -0.502 1
1 194 . 1 1 1 A 40 40 THR N N 18 120.600 118.036 2.564 1
1 195 . 1 1 1 A 41 41 GLN H H 19 7.610 7.787 -0.177 1
1 196 . 1 1 1 A 41 41 GLN HA H 19 4.080 4.134 -0.054 1
1 203 . 1 1 1 A 41 41 GLN C C 19 178.110 177.946 0.164 1
1 204 . 1 1 1 A 41 41 GLN CA C 19 59.170 58.981 0.189 1
1 205 . 1 1 1 A 41 41 GLN CB C 19 28.170 28.491 -0.321 1
1 207 . 1 1 1 A 41 41 GLN N N 19 120.130 120.804 -0.674 1
1 209 . 1 1 1 A 42 42 PHE H H 20 7.710 7.849 -0.139 1
1 210 . 1 1 1 A 42 42 PHE HA H 20 4.080 4.211 -0.131 1
1 218 . 1 1 1 A 42 42 PHE C C 20 177.460 177.052 0.408 1
1 219 . 1 1 1 A 42 42 PHE CA C 20 61.760 61.390 0.370 1
1 220 . 1 1 1 A 42 42 PHE CB C 20 38.590 39.025 -0.435 1
1 224 . 1 1 1 A 42 42 PHE N N 20 120.560 122.095 -1.535 1
1 225 . 1 1 1 A 43 43 TYR H H 21 8.890 8.258 0.632 1
1 226 . 1 1 1 A 43 43 TYR HA H 21 3.700 4.185 -0.485 1
1 233 . 1 1 1 A 43 43 TYR C C 21 177.640 178.066 -0.426 1
1 234 . 1 1 1 A 43 43 TYR CA C 21 64.290 61.496 2.794 1
1 235 . 1 1 1 A 43 43 TYR CB C 21 38.110 37.378 0.732 1
1 238 . 1 1 1 A 43 43 TYR N N 21 118.420 117.963 0.457 1
1 239 . 1 1 1 A 44 44 LYS H H 22 8.860 8.071 0.789 1
1 240 . 1 1 1 A 44 44 LYS HA H 22 4.630 3.934 0.696 1
1 249 . 1 1 1 A 44 44 LYS C C 22 179.780 178.971 0.809 1
1 250 . 1 1 1 A 44 44 LYS CA C 22 59.630 59.534 0.096 1
1 251 . 1 1 1 A 44 44 LYS CB C 22 33.210 32.398 0.812 1
1 255 . 1 1 1 A 44 44 LYS N N 22 122.200 120.243 1.957 1
1 256 . 1 1 1 A 45 45 ALA H H 23 7.180 7.433 -0.253 1
1 257 . 1 1 1 A 45 45 ALA HA H 23 4.040 4.042 -0.002 1
1 261 . 1 1 1 A 45 45 ALA C C 23 179.130 179.958 -0.828 1
1 262 . 1 1 1 A 45 45 ALA CA C 23 54.350 54.552 -0.202 1
1 263 . 1 1 1 A 45 45 ALA CB C 23 18.030 18.416 -0.386 1
1 264 . 1 1 1 A 45 45 ALA N N 23 120.710 121.539 -0.829 1
1 265 . 1 1 1 A 46 46 LEU H H 24 7.510 7.805 -0.295 1
1 266 . 1 1 1 A 46 46 LEU HA H 24 3.550 3.763 -0.213 1
1 276 . 1 1 1 A 46 46 LEU C C 24 178.680 178.584 0.096 1
1 277 . 1 1 1 A 46 46 LEU CA C 24 57.910 58.075 -0.165 1
1 278 . 1 1 1 A 46 46 LEU CB C 24 43.950 41.021 2.929 1
1 282 . 1 1 1 A 46 46 LEU N N 24 118.650 120.117 -1.467 1
1 283 . 1 1 1 A 47 47 LEU H H 25 8.800 7.578 1.222 1
1 284 . 1 1 1 A 47 47 LEU HA H 25 4.480 4.357 0.123 1
1 294 . 1 1 1 A 47 47 LEU C C 25 178.960 177.042 1.918 1
1 295 . 1 1 1 A 47 47 LEU CA C 25 55.010 56.449 -1.439 1
1 296 . 1 1 1 A 47 47 LEU CB C 25 42.500 42.648 -0.148 1
1 300 . 1 1 1 A 47 47 LEU N N 25 112.540 117.867 -5.327 1
1 301 . 1 1 1 A 48 48 GLY H H 26 7.810 7.890 -0.080 1
1 302 . 1 1 1 A 48 48 GLY HA2 H 26 4.030 3.956 0.074 1
1 303 . 1 1 1 A 48 48 GLY HA3 H 26 3.900 3.984 -0.084 1
1 304 . 1 1 1 A 48 48 GLY C C 26 173.560 173.862 -0.302 1
1 305 . 1 1 1 A 48 48 GLY CA C 26 46.810 45.928 0.882 1
1 306 . 1 1 1 A 48 48 GLY N N 26 107.650 106.047 1.603 1
1 307 . 1 1 1 A 49 49 VAL H H 27 7.100 7.381 -0.281 1
1 308 . 1 1 1 A 49 49 VAL HA H 27 4.700 4.777 -0.077 1
1 316 . 1 1 1 A 49 49 VAL C C 27 172.980 173.682 -0.702 1
1 317 . 1 1 1 A 49 49 VAL CA C 27 58.680 59.033 -0.353 1
1 318 . 1 1 1 A 49 49 VAL CB C 27 36.090 35.847 0.243 1
1 321 . 1 1 1 A 49 49 VAL N N 27 110.770 114.840 -4.070 1
1 322 . 1 1 1 A 50 50 ASP H H 28 8.100 8.852 -0.752 1
1 323 . 1 1 1 A 50 50 ASP HA H 28 4.930 5.167 -0.237 1
1 326 . 1 1 1 A 50 50 ASP CA C 28 52.550 50.616 1.934 1
1 327 . 1 1 1 A 50 50 ASP CB C 28 40.520 44.334 -3.814 1
1 328 . 1 1 1 A 50 50 ASP N N 28 119.760 121.130 -1.370 1
1 329 . 1 1 1 A 51 51 PRO HA H 29 3.700 4.870 -1.170 1
1 336 . 1 1 1 A 51 51 PRO C C 29 176.580 177.677 -1.097 1
1 337 . 1 1 1 A 51 51 PRO CA C 29 62.900 62.931 -0.031 1
1 338 . 1 1 1 A 51 51 PRO CB C 29 30.550 31.806 -1.256 1
1 341 . 1 1 1 A 52 52 VAL H H 30 8.340 8.676 -0.336 1
1 342 . 1 1 1 A 52 52 VAL HA H 30 4.080 4.011 0.069 1
1 350 . 1 1 1 A 52 52 VAL C C 30 176.190 175.743 0.447 1
1 351 . 1 1 1 A 52 52 VAL CA C 30 62.790 64.233 -1.443 1
1 352 . 1 1 1 A 52 52 VAL CB C 30 32.280 32.459 -0.179 1
1 355 . 1 1 1 A 52 52 VAL N N 30 117.320 125.055 -7.735 1
1 356 . 1 1 1 A 53 53 GLU H H 31 7.170 7.585 -0.415 1
1 357 . 1 1 1 A 53 53 GLU HA H 31 4.580 4.876 -0.296 1
1 362 . 1 1 1 A 53 53 GLU C C 31 174.940 175.236 -0.296 1
1 363 . 1 1 1 A 53 53 GLU CA C 31 55.330 54.795 0.535 1
1 364 . 1 1 1 A 53 53 GLU CB C 31 33.370 33.313 0.057 1
1 366 . 1 1 1 A 53 53 GLU N N 31 118.180 119.604 -1.424 1
1 367 . 1 1 1 A 54 54 SER H H 32 8.650 8.770 -0.120 1
1 368 . 1 1 1 A 54 54 SER HA H 32 5.130 5.183 -0.053 1
1 371 . 1 1 1 A 54 54 SER C C 32 171.990 172.737 -0.747 1
1 372 . 1 1 1 A 54 54 SER CA C 32 57.940 57.510 0.430 1
1 373 . 1 1 1 A 54 54 SER CB C 32 64.720 66.284 -1.564 1
1 374 . 1 1 1 A 54 54 SER N N 32 117.210 116.295 0.915 1
1 375 . 1 1 1 A 55 55 SER H H 33 8.760 8.715 0.045 1
1 376 . 1 1 1 A 55 55 SER N N 33 124.420 116.820 7.600 1
1 377 . 1 1 1 A 56 56 PRO HA H 34 4.320 4.379 -0.059 1
1 382 . 1 1 1 A 56 56 PRO C C 34 177.290 177.206 0.084 1
1 383 . 1 1 1 A 56 56 PRO CA C 34 65.750 65.147 0.603 1
1 384 . 1 1 1 A 56 56 PRO CB C 34 32.490 31.983 0.507 1
1 386 . 1 1 1 A 57 57 THR H H 35 7.810 8.154 -0.344 1
1 387 . 1 1 1 A 57 57 THR HA H 35 4.630 4.786 -0.156 1
1 392 . 1 1 1 A 57 57 THR C C 35 174.080 173.896 0.184 1
1 393 . 1 1 1 A 57 57 THR CA C 35 61.860 61.246 0.614 1
1 394 . 1 1 1 A 57 57 THR CB C 35 70.940 69.992 0.948 1
1 396 . 1 1 1 A 57 57 THR N N 35 101.710 110.252 -8.542 1
1 397 . 1 1 1 A 58 58 PHE H H 36 7.670 7.423 0.247 1
1 398 . 1 1 1 A 58 58 PHE HA H 36 5.780 4.896 0.884 1
1 405 . 1 1 1 A 58 58 PHE CA C 36 57.820 58.212 -0.392 1
1 406 . 1 1 1 A 58 58 PHE CB C 36 43.010 42.369 0.641 1
1 409 . 1 1 1 A 58 58 PHE N N 36 124.370 121.513 2.857 1
1 410 . 1 1 1 A 59 59 SER H H 37 8.070 7.635 0.435 1
1 411 . 1 1 1 A 59 59 SER HA H 37 4.890 4.866 0.024 1
1 414 . 1 1 1 A 59 59 SER C C 37 170.010 171.668 -1.658 1
1 415 . 1 1 1 A 59 59 SER CA C 37 56.660 56.408 0.252 1
1 416 . 1 1 1 A 59 59 SER CB C 37 67.490 65.226 2.264 1
1 417 . 1 1 1 A 59 59 SER N N 37 122.930 119.743 3.187 1
1 418 . 1 1 1 A 60 60 LEU H H 38 8.140 8.268 -0.128 1
1 419 . 1 1 1 A 60 60 LEU HA H 38 4.810 4.239 0.571 1
1 429 . 1 1 1 A 60 60 LEU C C 38 174.000 174.387 -0.387 1
1 430 . 1 1 1 A 60 60 LEU CA C 38 53.750 54.354 -0.604 1
1 431 . 1 1 1 A 60 60 LEU CB C 38 47.250 45.665 1.585 1
1 435 . 1 1 1 A 60 60 LEU N N 38 122.030 124.110 -2.080 1
1 436 . 1 1 1 A 61 61 PHE H H 39 9.460 8.021 1.439 1
1 437 . 1 1 1 A 61 61 PHE HA H 39 4.580 5.683 -1.103 1
1 444 . 1 1 1 A 61 61 PHE C C 39 174.390 172.995 1.395 1
1 445 . 1 1 1 A 61 61 PHE CA C 39 57.180 55.024 2.156 1
1 446 . 1 1 1 A 61 61 PHE CB C 39 41.570 42.594 -1.024 1
1 449 . 1 1 1 A 61 61 PHE N N 39 124.820 121.463 3.357 1
1 450 . 1 1 1 A 62 62 VAL H H 40 8.640 9.052 -0.412 1
1 451 . 1 1 1 A 62 62 VAL HA H 40 4.260 4.677 -0.417 1
1 459 . 1 1 1 A 62 62 VAL C C 40 175.380 175.118 0.262 1
1 460 . 1 1 1 A 62 62 VAL CA C 40 62.520 60.952 1.568 1
1 461 . 1 1 1 A 62 62 VAL CB C 40 32.470 34.222 -1.752 1
1 464 . 1 1 1 A 62 62 VAL N N 40 122.650 121.693 0.957 1
1 465 . 1 1 1 A 63 63 LEU H H 41 8.710 8.658 0.052 1
1 466 . 1 1 1 A 63 63 LEU HA H 41 4.590 4.679 -0.089 1
1 476 . 1 1 1 A 63 63 LEU CA C 41 53.560 53.640 -0.080 1
1 477 . 1 1 1 A 63 63 LEU CB C 41 41.600 42.575 -0.975 1
1 481 . 1 1 1 A 63 63 LEU N N 41 126.170 127.733 -1.563 1
1 482 . 1 1 1 A 64 64 ALA HA H 42 4.040 4.104 -0.064 1
1 486 . 1 1 1 A 64 64 ALA CA C 42 55.050 54.193 0.857 1
1 487 . 1 1 1 A 64 64 ALA CB C 42 18.580 18.592 -0.012 1
1 488 . 1 1 1 A 65 65 ASN H H 43 7.680 7.890 -0.210 1
1 489 . 1 1 1 A 65 65 ASN HA H 43 4.520 4.642 -0.122 1
1 494 . 1 1 1 A 65 65 ASN C C 43 175.860 175.874 -0.014 1
1 495 . 1 1 1 A 65 65 ASN CA C 43 52.530 53.489 -0.959 1
1 496 . 1 1 1 A 65 65 ASN CB C 43 37.800 38.691 -0.891 1
1 497 . 1 1 1 A 65 65 ASN N N 43 112.130 115.017 -2.887 1
1 499 . 1 1 1 A 66 66 GLY H H 44 8.070 8.317 -0.247 1
1 500 . 1 1 1 A 66 66 GLY HA2 H 44 4.330 3.923 0.407 1
1 501 . 1 1 1 A 66 66 GLY HA3 H 44 3.480 3.926 -0.446 1
1 502 . 1 1 1 A 66 66 GLY C C 44 174.260 173.956 0.304 1
1 503 . 1 1 1 A 66 66 GLY CA C 44 44.930 45.446 -0.516 1
1 504 . 1 1 1 A 66 66 GLY N N 44 107.650 107.852 -0.202 1
1 505 . 1 1 1 A 67 67 MET H H 45 7.900 7.779 0.121 1
1 506 . 1 1 1 A 67 67 MET HA H 45 4.420 5.012 -0.592 1
1 514 . 1 1 1 A 67 67 MET CA C 45 55.520 53.186 2.334 1
1 515 . 1 1 1 A 67 67 MET CB C 45 33.630 35.655 -2.025 1
1 518 . 1 1 1 A 67 67 MET N N 45 121.850 116.717 5.133 1
1 519 . 1 1 1 A 68 68 LYS HA H 46 5.040 5.032 0.008 1
1 528 . 1 1 1 A 68 68 LYS C C 46 174.600 174.278 0.322 1
1 529 . 1 1 1 A 68 68 LYS CA C 46 55.410 55.212 0.198 1
1 530 . 1 1 1 A 68 68 LYS CB C 46 34.460 36.034 -1.574 1
1 534 . 1 1 1 A 69 69 LEU H H 47 8.830 8.700 0.130 1
1 535 . 1 1 1 A 69 69 LEU HA H 47 5.450 5.477 -0.027 1
1 545 . 1 1 1 A 69 69 LEU C C 47 174.880 174.599 0.281 1
1 546 . 1 1 1 A 69 69 LEU CA C 47 52.980 53.983 -1.003 1
1 547 . 1 1 1 A 69 69 LEU CB C 47 46.560 45.720 0.840 1
1 551 . 1 1 1 A 69 69 LEU N N 47 124.960 126.566 -1.606 1
1 552 . 1 1 1 A 70 70 GLY H H 48 9.580 9.333 0.247 1
1 553 . 1 1 1 A 70 70 GLY HA2 H 48 5.220 3.878 1.342 1
1 554 . 1 1 1 A 70 70 GLY HA3 H 48 3.090 4.270 -1.180 1
1 555 . 1 1 1 A 70 70 GLY C C 48 170.590 171.530 -0.940 1
1 556 . 1 1 1 A 70 70 GLY CA C 48 43.370 43.870 -0.500 1
1 557 . 1 1 1 A 70 70 GLY N N 48 113.940 114.130 -0.190 1
1 558 . 1 1 1 A 71 71 LEU H H 49 8.250 8.205 0.045 1
1 559 . 1 1 1 A 71 71 LEU HA H 49 5.150 5.231 -0.081 1
1 569 . 1 1 1 A 71 71 LEU C C 49 173.920 174.465 -0.545 1
1 570 . 1 1 1 A 71 71 LEU CA C 49 52.770 53.192 -0.422 1
1 571 . 1 1 1 A 71 71 LEU CB C 49 43.100 43.622 -0.522 1
1 575 . 1 1 1 A 71 71 LEU N N 49 122.270 121.361 0.909 1
1 576 . 1 1 1 A 72 72 TRP H H 50 8.960 8.656 0.304 1
1 577 . 1 1 1 A 72 72 TRP HA H 50 5.860 5.579 0.281 1
1 584 . 1 1 1 A 72 72 TRP C C 50 175.740 174.983 0.757 1
1 585 . 1 1 1 A 72 72 TRP CA C 50 53.170 55.298 -2.128 1
1 586 . 1 1 1 A 72 72 TRP CB C 50 34.990 31.959 3.031 1
1 590 . 1 1 1 A 72 72 TRP N N 50 125.010 128.272 -3.262 1
1 592 . 1 1 1 A 73 73 SER H H 51 9.010 8.510 0.500 1
1 593 . 1 1 1 A 73 73 SER HA H 51 4.570 5.137 -0.567 1
1 596 . 1 1 1 A 73 73 SER C C 51 176.240 175.939 0.301 1
1 597 . 1 1 1 A 73 73 SER CA C 51 58.490 58.147 0.343 1
1 598 . 1 1 1 A 73 73 SER CB C 51 63.770 63.660 0.110 1
1 599 . 1 1 1 A 73 73 SER N N 51 120.380 123.984 -3.604 1
1 600 . 1 1 1 A 74 74 ARG H H 52 9.420 8.809 0.611 1
1 601 . 1 1 1 A 74 74 ARG HA H 52 3.460 3.984 -0.524 1
1 608 . 1 1 1 A 74 74 ARG C C 52 175.610 176.883 -1.273 1
1 609 . 1 1 1 A 74 74 ARG CA C 52 57.590 58.391 -0.801 1
1 610 . 1 1 1 A 74 74 ARG CB C 52 28.900 29.914 -1.014 1
1 613 . 1 1 1 A 74 74 ARG N N 52 128.770 126.797 1.973 1
1 614 . 1 1 1 A 75 75 HIS H H 53 7.910 7.996 -0.086 1
1 615 . 1 1 1 A 75 75 HIS HA H 53 4.310 4.500 -0.190 1
1 619 . 1 1 1 A 75 75 HIS C C 53 176.610 175.369 1.241 1
1 620 . 1 1 1 A 75 75 HIS CA C 53 57.190 57.177 0.013 1
1 621 . 1 1 1 A 75 75 HIS CB C 53 31.260 29.246 2.014 1
1 623 . 1 1 1 A 75 75 HIS N N 53 117.320 116.281 1.039 1
1 624 . 1 1 1 A 76 76 THR H H 54 7.360 7.601 -0.241 1
1 625 . 1 1 1 A 76 76 THR HA H 54 4.540 4.491 0.049 1
1 630 . 1 1 1 A 76 76 THR C C 54 175.120 173.989 1.131 1
1 631 . 1 1 1 A 76 76 THR CA C 54 61.840 61.211 0.629 1
1 632 . 1 1 1 A 76 76 THR CB C 54 69.680 70.193 -0.513 1
1 634 . 1 1 1 A 76 76 THR N N 54 107.350 113.721 -6.371 1
1 635 . 1 1 1 A 77 77 VAL H H 55 6.630 7.207 -0.577 1
1 636 . 1 1 1 A 77 77 VAL HA H 55 2.700 2.937 -0.237 1
1 644 . 1 1 1 A 77 77 VAL C C 55 173.920 174.778 -0.858 1
1 645 . 1 1 1 A 77 77 VAL CA C 55 63.500 61.856 1.644 1
1 646 . 1 1 1 A 77 77 VAL CB C 55 31.270 31.966 -0.696 1
1 649 . 1 1 1 A 77 77 VAL N N 55 123.760 122.168 1.592 1
1 650 . 1 1 1 A 78 78 GLU H H 56 6.010 8.166 -2.156 1
1 651 . 1 1 1 A 78 78 GLU HA H 56 4.160 4.785 -0.625 1
1 656 . 1 1 1 A 78 78 GLU CA C 56 53.120 52.319 0.801 1
1 657 . 1 1 1 A 78 78 GLU CB C 56 32.240 31.429 0.811 1
1 659 . 1 1 1 A 78 78 GLU N N 56 124.820 127.571 -2.751 1
1 660 . 1 1 1 A 79 79 PRO HA H 57 4.620 4.458 0.162 1
1 667 . 1 1 1 A 79 79 PRO C C 57 176.190 176.449 -0.259 1
1 668 . 1 1 1 A 79 79 PRO CA C 57 61.890 62.570 -0.680 1
1 669 . 1 1 1 A 79 79 PRO CB C 57 33.620 31.988 1.632 1
1 672 . 1 1 1 A 80 80 LYS H H 58 8.340 8.299 0.041 1
1 673 . 1 1 1 A 80 80 LYS HA H 58 3.880 4.344 -0.464 1
1 682 . 1 1 1 A 80 80 LYS C C 58 177.100 175.037 2.063 1
1 683 . 1 1 1 A 80 80 LYS CA C 58 57.610 56.673 0.937 1
1 684 . 1 1 1 A 80 80 LYS CB C 58 32.400 32.506 -0.106 1
1 688 . 1 1 1 A 80 80 LYS N N 58 121.510 122.196 -0.686 1
1 689 . 1 1 1 A 81 81 ALA H H 59 8.430 8.570 -0.140 1
1 690 . 1 1 1 A 81 81 ALA HA H 59 4.870 4.924 -0.054 1
1 694 . 1 1 1 A 81 81 ALA C C 59 177.460 176.082 1.378 1
1 695 . 1 1 1 A 81 81 ALA CA C 59 51.020 51.064 -0.044 1
1 696 . 1 1 1 A 81 81 ALA CB C 59 22.910 20.738 2.172 1
1 697 . 1 1 1 A 81 81 ALA N N 59 129.030 129.478 -0.448 1
1 698 . 1 1 1 A 82 82 SER H H 60 9.680 8.963 0.717 1
1 699 . 1 1 1 A 82 82 SER HA H 60 4.510 4.848 -0.338 1
1 702 . 1 1 1 A 82 82 SER C C 60 172.960 173.732 -0.772 1
1 703 . 1 1 1 A 82 82 SER CA C 60 58.350 57.433 0.917 1
1 704 . 1 1 1 A 82 82 SER CB C 60 65.150 62.647 2.503 1
1 705 . 1 1 1 A 82 82 SER N N 60 115.930 118.725 -2.795 1
1 706 . 1 1 1 A 83 83 VAL H H 61 7.450 7.956 -0.506 1
1 707 . 1 1 1 A 83 83 VAL HA H 61 4.260 4.880 -0.620 1
1 715 . 1 1 1 A 83 83 VAL CA C 61 60.940 60.405 0.535 1
1 716 . 1 1 1 A 83 83 VAL CB C 61 35.360 36.195 -0.835 1
1 719 . 1 1 1 A 83 83 VAL N N 61 121.550 125.234 -3.684 1
1 720 . 1 1 1 A 84 84 THR H H 62 7.850 8.672 -0.822 1
1 721 . 1 1 1 A 84 84 THR HA H 62 4.750 5.105 -0.355 1
1 726 . 1 1 1 A 84 84 THR C C 62 174.040 173.914 0.126 1
1 727 . 1 1 1 A 84 84 THR CA C 62 59.370 60.050 -0.680 1
1 728 . 1 1 1 A 84 84 THR CB C 62 68.800 71.744 -2.944 1
1 730 . 1 1 1 A 84 84 THR N N 62 111.040 117.467 -6.427 1
1 731 . 1 1 1 A 85 85 GLY H H 63 7.950 8.922 -0.972 1
1 732 . 1 1 1 A 85 85 GLY HA2 H 63 3.480 4.031 -0.551 1
1 733 . 1 1 1 A 85 85 GLY HA3 H 63 2.950 4.044 -1.094 1
1 734 . 1 1 1 A 85 85 GLY C C 63 174.140 176.080 -1.940 1
1 735 . 1 1 1 A 85 85 GLY CA C 63 45.490 45.280 0.210 1
1 736 . 1 1 1 A 85 85 GLY N N 63 109.700 113.602 -3.902 1
1 737 . 1 1 1 A 86 86 GLY H H 64 8.530 7.922 0.608 1
1 738 . 1 1 1 A 86 86 GLY HA2 H 64 4.550 3.968 0.582 1
1 739 . 1 1 1 A 86 86 GLY HA3 H 64 3.700 3.973 -0.273 1
1 740 . 1 1 1 A 86 86 GLY C C 64 174.700 174.555 0.145 1
1 741 . 1 1 1 A 86 86 GLY CA C 64 45.600 46.934 -1.334 1
1 742 . 1 1 1 A 86 86 GLY N N 64 107.420 108.236 -0.816 1
1 743 . 1 1 1 A 87 87 GLY H H 65 9.280 7.814 1.466 1
1 744 . 1 1 1 A 87 87 GLY HA2 H 65 4.860 4.173 0.687 1
1 745 . 1 1 1 A 87 87 GLY HA3 H 65 4.160 4.192 -0.032 1
1 746 . 1 1 1 A 87 87 GLY C C 65 172.640 173.223 -0.583 1
1 747 . 1 1 1 A 87 87 GLY CA C 65 45.630 46.041 -0.411 1
1 748 . 1 1 1 A 87 87 GLY N N 65 111.380 104.963 6.417 1
1 749 . 1 1 1 A 88 88 GLY H H 66 6.610 8.520 -1.910 1
1 750 . 1 1 1 A 88 88 GLY HA2 H 66 4.020 4.162 -0.142 1
1 751 . 1 1 1 A 88 88 GLY HA3 H 66 2.360 4.271 -1.911 1
1 752 . 1 1 1 A 88 88 GLY C C 66 172.250 173.460 -1.210 1
1 753 . 1 1 1 A 88 88 GLY CA C 66 43.910 44.959 -1.049 1
1 754 . 1 1 1 A 88 88 GLY N N 66 105.700 107.378 -1.678 1
1 755 . 1 1 1 A 89 89 GLU H H 67 9.230 8.789 0.441 1
1 756 . 1 1 1 A 89 89 GLU HA H 67 5.100 5.364 -0.264 1
1 761 . 1 1 1 A 89 89 GLU C C 67 175.770 174.146 1.624 1
1 762 . 1 1 1 A 89 89 GLU CA C 67 54.540 54.940 -0.400 1
1 763 . 1 1 1 A 89 89 GLU CB C 67 34.710 32.384 2.326 1
1 765 . 1 1 1 A 89 89 GLU N N 67 117.210 123.346 -6.136 1
1 766 . 1 1 1 A 90 90 LEU H H 68 8.470 9.233 -0.763 1
1 767 . 1 1 1 A 90 90 LEU HA H 68 5.050 5.066 -0.016 1
1 777 . 1 1 1 A 90 90 LEU C C 68 175.460 174.897 0.563 1
1 778 . 1 1 1 A 90 90 LEU CA C 68 54.160 53.806 0.354 1
1 779 . 1 1 1 A 90 90 LEU CB C 68 44.250 44.323 -0.073 1
1 783 . 1 1 1 A 90 90 LEU N N 68 120.420 127.157 -6.737 1
1 784 . 1 1 1 A 91 91 ALA H H 69 8.880 8.848 0.032 1
1 785 . 1 1 1 A 91 91 ALA HA H 69 5.990 5.375 0.615 1
1 789 . 1 1 1 A 91 91 ALA C C 69 175.300 176.584 -1.284 1
1 790 . 1 1 1 A 91 91 ALA CA C 69 50.340 50.852 -0.512 1
1 791 . 1 1 1 A 91 91 ALA CB C 69 21.140 19.886 1.254 1
1 792 . 1 1 1 A 91 91 ALA N N 69 124.720 130.581 -5.861 1
1 793 . 1 1 1 A 92 92 PHE H H 70 10.090 9.525 0.565 1
1 794 . 1 1 1 A 92 92 PHE HA H 70 4.700 5.050 -0.350 1
1 802 . 1 1 1 A 92 92 PHE CA C 70 56.580 57.244 -0.664 1
1 803 . 1 1 1 A 92 92 PHE CB C 70 40.490 39.130 1.360 1
1 807 . 1 1 1 A 92 92 PHE N N 70 122.920 124.246 -1.326 1
1 808 . 1 1 1 A 93 93 ARG H H 71 9.030 9.092 -0.062 1
1 809 . 1 1 1 A 93 93 ARG HA H 71 4.460 4.560 -0.100 1
1 816 . 1 1 1 A 93 93 ARG C C 71 176.910 176.074 0.836 1
1 817 . 1 1 1 A 93 93 ARG CA C 71 55.080 56.182 -1.102 1
1 818 . 1 1 1 A 93 93 ARG CB C 71 31.950 31.093 0.857 1
1 821 . 1 1 1 A 93 93 ARG N N 71 125.390 125.179 0.211 1
1 822 . 1 1 1 A 94 94 VAL H H 72 8.470 8.187 0.283 1
1 823 . 1 1 1 A 94 94 VAL HA H 72 4.820 4.742 0.078 1
1 831 . 1 1 1 A 94 94 VAL C C 72 176.320 175.954 0.366 1
1 832 . 1 1 1 A 94 94 VAL CA C 72 59.190 58.874 0.316 1
1 833 . 1 1 1 A 94 94 VAL CB C 72 32.550 34.899 -2.349 1
1 836 . 1 1 1 A 94 94 VAL N N 72 119.430 119.499 -0.069 1
1 837 . 1 1 1 A 95 95 GLU H H 73 8.160 8.895 -0.735 1
1 838 . 1 1 1 A 95 95 GLU HA H 73 3.940 4.176 -0.236 1
1 843 . 1 1 1 A 95 95 GLU C C 73 176.560 176.434 0.126 1
1 844 . 1 1 1 A 95 95 GLU CA C 73 59.620 58.348 1.272 1
1 845 . 1 1 1 A 95 95 GLU CB C 73 31.400 29.497 1.903 1
1 847 . 1 1 1 A 95 95 GLU N N 73 116.510 120.387 -3.877 1
1 848 . 1 1 1 A 96 96 ASN H H 74 7.240 7.779 -0.539 1
1 849 . 1 1 1 A 96 96 ASN HA H 74 4.780 4.989 -0.209 1
1 854 . 1 1 1 A 96 96 ASN C C 74 174.960 174.686 0.274 1
1 855 . 1 1 1 A 96 96 ASN CA C 74 51.570 52.588 -1.018 1
1 856 . 1 1 1 A 96 96 ASN CB C 74 40.130 39.416 0.714 1
1 857 . 1 1 1 A 96 96 ASN N N 74 108.930 114.123 -5.193 1
1 859 . 1 1 1 A 97 97 ASP H H 75 8.330 9.112 -0.782 1
1 860 . 1 1 1 A 97 97 ASP HA H 75 4.190 4.573 -0.383 1
1 863 . 1 1 1 A 97 97 ASP C C 75 177.800 178.591 -0.791 1
1 864 . 1 1 1 A 97 97 ASP CA C 75 57.780 56.653 1.127 1
1 865 . 1 1 1 A 97 97 ASP CB C 75 39.230 39.622 -0.392 1
1 866 . 1 1 1 A 97 97 ASP N N 75 120.390 118.261 2.129 1
1 867 . 1 1 1 A 98 98 ALA H H 76 8.090 8.060 0.030 1
1 868 . 1 1 1 A 98 98 ALA HA H 76 4.210 4.037 0.173 1
1 872 . 1 1 1 A 98 98 ALA C C 76 181.130 180.006 1.124 1
1 873 . 1 1 1 A 98 98 ALA CA C 76 55.160 54.904 0.256 1
1 874 . 1 1 1 A 98 98 ALA CB C 76 17.440 17.760 -0.320 1
1 875 . 1 1 1 A 98 98 ALA N N 76 122.660 121.528 1.132 1
1 876 . 1 1 1 A 99 99 GLN H H 77 8.110 7.608 0.502 1
1 877 . 1 1 1 A 99 99 GLN HA H 77 4.170 4.048 0.122 1
1 884 . 1 1 1 A 99 99 GLN C C 77 180.190 178.562 1.628 1
1 885 . 1 1 1 A 99 99 GLN CA C 77 58.680 58.538 0.142 1
1 886 . 1 1 1 A 99 99 GLN CB C 77 28.590 28.489 0.101 1
1 888 . 1 1 1 A 99 99 GLN N N 77 116.870 118.228 -1.358 1
1 890 . 1 1 1 A 100 100 VAL H H 78 7.860 7.569 0.291 1
1 891 . 1 1 1 A 100 100 VAL HA H 78 3.400 3.564 -0.164 1
1 899 . 1 1 1 A 100 100 VAL C C 78 177.510 178.168 -0.658 1
1 900 . 1 1 1 A 100 100 VAL CA C 78 67.800 66.440 1.360 1
1 901 . 1 1 1 A 100 100 VAL CB C 78 30.810 31.710 -0.900 1
1 904 . 1 1 1 A 100 100 VAL N N 78 125.200 121.024 4.176 1
1 905 . 1 1 1 A 101 101 ASP H H 79 7.810 7.817 -0.007 1
1 906 . 1 1 1 A 101 101 ASP HA H 79 4.420 4.212 0.208 1
1 909 . 1 1 1 A 101 101 ASP C C 79 175.010 178.502 -3.492 1
1 910 . 1 1 1 A 101 101 ASP CA C 79 58.490 57.209 1.281 1
1 911 . 1 1 1 A 101 101 ASP CB C 79 40.400 40.679 -0.279 1
1 912 . 1 1 1 A 101 101 ASP N N 79 119.560 120.344 -0.784 1
1 913 . 1 1 1 A 102 102 GLU H H 80 8.620 8.090 0.530 1
1 914 . 1 1 1 A 102 102 GLU HA H 80 4.080 4.021 0.059 1
1 919 . 1 1 1 A 102 102 GLU C C 80 179.540 179.374 0.166 1
1 920 . 1 1 1 A 102 102 GLU CA C 80 59.470 59.246 0.224 1
1 921 . 1 1 1 A 102 102 GLU CB C 80 30.210 29.294 0.916 1
1 923 . 1 1 1 A 102 102 GLU N N 80 121.400 118.897 2.503 1
1 924 . 1 1 1 A 103 103 THR H H 81 8.120 7.564 0.556 1
1 925 . 1 1 1 A 103 103 THR HA H 81 3.660 3.706 -0.046 1
1 930 . 1 1 1 A 103 103 THR C C 81 174.440 175.972 -1.532 1
1 931 . 1 1 1 A 103 103 THR CA C 81 66.990 65.978 1.012 1
1 932 . 1 1 1 A 103 103 THR CB C 81 68.070 68.107 -0.037 1
1 934 . 1 1 1 A 103 103 THR N N 81 118.770 118.462 0.308 1
1 935 . 1 1 1 A 104 104 PHE H H 82 8.340 7.945 0.395 1
1 936 . 1 1 1 A 104 104 PHE HA H 82 3.030 3.622 -0.592 1
1 943 . 1 1 1 A 104 104 PHE C C 82 176.050 176.723 -0.673 1
1 944 . 1 1 1 A 104 104 PHE CA C 82 61.480 61.853 -0.373 1
1 945 . 1 1 1 A 104 104 PHE CB C 82 38.550 38.757 -0.207 1
1 948 . 1 1 1 A 104 104 PHE N N 82 122.350 121.487 0.863 1
1 949 . 1 1 1 A 105 105 ALA H H 83 7.780 8.278 -0.498 1
1 950 . 1 1 1 A 105 105 ALA HA H 83 3.680 4.158 -0.478 1
1 954 . 1 1 1 A 105 105 ALA C C 83 181.410 179.873 1.537 1
1 955 . 1 1 1 A 105 105 ALA CA C 83 54.880 55.056 -0.176 1
1 956 . 1 1 1 A 105 105 ALA CB C 83 18.080 18.333 -0.253 1
1 957 . 1 1 1 A 105 105 ALA N N 83 118.740 121.137 -2.397 1
1 958 . 1 1 1 A 106 106 GLY H H 84 8.120 8.077 0.043 1
1 959 . 1 1 1 A 106 106 GLY HA2 H 84 3.910 3.554 0.356 1
1 960 . 1 1 1 A 106 106 GLY HA3 H 84 3.810 3.571 0.239 1
1 961 . 1 1 1 A 106 106 GLY C C 84 176.780 177.269 -0.489 1
1 962 . 1 1 1 A 106 106 GLY CA C 84 46.910 47.009 -0.099 1
1 963 . 1 1 1 A 106 106 GLY N N 84 107.090 105.107 1.983 1
1 964 . 1 1 1 A 107 107 TRP H H 85 9.240 7.623 1.617 1
1 965 . 1 1 1 A 107 107 TRP HA H 85 4.440 4.572 -0.132 1
1 972 . 1 1 1 A 107 107 TRP C C 85 179.210 178.413 0.797 1
1 973 . 1 1 1 A 107 107 TRP CA C 85 59.190 60.474 -1.284 1
1 974 . 1 1 1 A 107 107 TRP CB C 85 28.450 28.864 -0.414 1
1 978 . 1 1 1 A 107 107 TRP N N 85 124.820 122.036 2.784 1
1 980 . 1 1 1 A 108 108 LYS H H 86 8.610 8.161 0.449 1
1 981 . 1 1 1 A 108 108 LYS HA H 86 3.920 3.899 0.021 1
1 990 . 1 1 1 A 108 108 LYS C C 86 180.980 178.965 2.015 1
1 991 . 1 1 1 A 108 108 LYS CA C 86 60.040 59.419 0.621 1
1 992 . 1 1 1 A 108 108 LYS CB C 86 31.850 32.406 -0.556 1
1 996 . 1 1 1 A 108 108 LYS N N 86 121.490 121.034 0.456 1
1 997 . 1 1 1 A 109 109 ALA H H 87 7.890 7.855 0.035 1
1 998 . 1 1 1 A 109 109 ALA HA H 87 4.150 4.161 -0.011 1
1 1002 . 1 1 1 A 109 109 ALA C C 87 179.050 178.579 0.471 1
1 1003 . 1 1 1 A 109 109 ALA CA C 87 54.670 54.326 0.344 1
1 1004 . 1 1 1 A 109 109 ALA CB C 87 18.010 18.220 -0.210 1
1 1005 . 1 1 1 A 109 109 ALA N N 87 121.920 121.357 0.563 1
1 1006 . 1 1 1 A 110 110 SER H H 88 7.510 7.488 0.022 1
1 1007 . 1 1 1 A 110 110 SER HA H 88 4.450 4.605 -0.155 1
1 1010 . 1 1 1 A 110 110 SER C C 88 174.140 174.711 -0.571 1
1 1011 . 1 1 1 A 110 110 SER CA C 88 58.750 58.352 0.398 1
1 1012 . 1 1 1 A 110 110 SER CB C 88 63.950 63.735 0.215 1
1 1013 . 1 1 1 A 110 110 SER N N 88 112.390 111.593 0.797 1
1 1014 . 1 1 1 A 111 111 GLY H H 89 7.790 7.655 0.135 1
1 1015 . 1 1 1 A 111 111 GLY HA2 H 89 4.180 3.943 0.237 1
1 1016 . 1 1 1 A 111 111 GLY HA3 H 89 3.700 3.957 -0.257 1
1 1017 . 1 1 1 A 111 111 GLY C C 89 174.520 174.753 -0.233 1
1 1018 . 1 1 1 A 111 111 GLY CA C 89 45.530 46.379 -0.849 1
1 1019 . 1 1 1 A 111 111 GLY N N 89 108.220 109.988 -1.768 1
1 1020 . 1 1 1 A 112 112 VAL H H 90 7.660 7.906 -0.246 1
1 1021 . 1 1 1 A 112 112 VAL HA H 90 3.830 4.084 -0.254 1
1 1029 . 1 1 1 A 112 112 VAL C C 90 175.430 176.095 -0.665 1
1 1030 . 1 1 1 A 112 112 VAL CA C 90 63.880 62.216 1.664 1
1 1031 . 1 1 1 A 112 112 VAL CB C 90 32.040 32.040 0.000 1
1 1034 . 1 1 1 A 112 112 VAL N N 90 122.880 120.308 2.572 1
1 1035 . 1 1 1 A 113 113 ALA H H 91 8.720 8.400 0.320 1
1 1036 . 1 1 1 A 113 113 ALA HA H 91 4.210 4.008 0.202 1
1 1040 . 1 1 1 A 113 113 ALA C C 91 176.290 177.702 -1.412 1
1 1041 . 1 1 1 A 113 113 ALA CA C 91 52.900 55.428 -2.528 1
1 1042 . 1 1 1 A 113 113 ALA CB C 91 19.290 18.527 0.763 1
1 1043 . 1 1 1 A 113 113 ALA N N 91 132.080 127.128 4.952 1
1 1044 . 1 1 1 A 114 114 MET H H 92 8.260 7.831 0.429 1
1 1045 . 1 1 1 A 114 114 MET HA H 92 5.330 4.174 1.156 1
1 1051 . 1 1 1 A 114 114 MET C C 92 176.780 176.089 0.691 1
1 1052 . 1 1 1 A 114 114 MET CA C 92 53.390 56.218 -2.828 1
1 1053 . 1 1 1 A 114 114 MET CB C 92 33.450 31.072 2.378 1
1 1055 . 1 1 1 A 114 114 MET N N 92 116.930 116.619 0.311 1
1 1056 . 1 1 1 A 115 115 LEU H H 93 8.990 8.092 0.898 1
1 1057 . 1 1 1 A 115 115 LEU HA H 93 4.550 5.015 -0.465 1
1 1067 . 1 1 1 A 115 115 LEU C C 93 176.630 175.540 1.090 1
1 1068 . 1 1 1 A 115 115 LEU CA C 93 55.140 53.530 1.610 1
1 1069 . 1 1 1 A 115 115 LEU CB C 93 44.810 42.723 2.087 1
1 1073 . 1 1 1 A 115 115 LEU N N 93 122.250 116.806 5.444 1
1 1074 . 1 1 1 A 116 116 GLN H H 94 8.280 8.296 -0.016 1
1 1075 . 1 1 1 A 116 116 GLN HA H 94 4.700 4.726 -0.026 1
1 1080 . 1 1 1 A 116 116 GLN C C 94 174.860 174.030 0.830 1
1 1081 . 1 1 1 A 116 116 GLN CA C 94 55.600 55.872 -0.272 1
1 1082 . 1 1 1 A 116 116 GLN CB C 94 33.510 33.103 0.407 1
1 1083 . 1 1 1 A 116 116 GLN N N 94 121.140 123.098 -1.958 1
1 1085 . 1 1 1 A 117 117 GLN H H 95 8.490 8.585 -0.095 1
1 1086 . 1 1 1 A 117 117 GLN HA H 95 4.080 4.876 -0.796 1
1 1093 . 1 1 1 A 117 117 GLN CA C 95 54.860 53.221 1.639 1
1 1094 . 1 1 1 A 117 117 GLN CB C 95 26.550 29.058 -2.508 1
1 1096 . 1 1 1 A 117 117 GLN N N 95 125.610 124.786 0.824 1
1 1098 . 1 1 1 A 118 118 PRO HA H 96 4.410 4.764 -0.354 1
1 1103 . 1 1 1 A 118 118 PRO C C 96 176.290 175.560 0.730 1
1 1104 . 1 1 1 A 118 118 PRO CA C 96 64.130 62.822 1.308 1
1 1105 . 1 1 1 A 118 118 PRO CB C 96 30.550 31.335 -0.785 1
1 1107 . 1 1 1 A 119 119 ALA H H 97 8.980 8.376 0.604 1
1 1108 . 1 1 1 A 119 119 ALA HA H 97 4.550 5.089 -0.539 1
1 1112 . 1 1 1 A 119 119 ALA C C 97 175.820 176.222 -0.402 1
1 1113 . 1 1 1 A 119 119 ALA CA C 97 51.100 50.668 0.432 1
1 1114 . 1 1 1 A 119 119 ALA CB C 97 22.150 23.046 -0.896 1
1 1115 . 1 1 1 A 119 119 ALA N N 97 126.580 126.080 0.500 1
1 1116 . 1 1 1 A 120 120 LYS H H 98 8.710 8.559 0.151 1
1 1117 . 1 1 1 A 120 120 LYS HA H 98 4.450 4.628 -0.178 1
1 1126 . 1 1 1 A 120 120 LYS C C 98 175.950 176.165 -0.215 1
1 1127 . 1 1 1 A 120 120 LYS CA C 98 56.360 56.312 0.048 1
1 1128 . 1 1 1 A 120 120 LYS CB C 98 32.090 32.523 -0.433 1
1 1132 . 1 1 1 A 120 120 LYS N N 98 121.330 121.187 0.143 1
1 1133 . 1 1 1 A 121 121 MET H H 99 8.130 8.778 -0.648 1
1 1138 . 1 1 1 A 121 121 MET N N 99 125.590 125.247 0.343 1
1 1139 . 1 1 1 A 122 122 GLU HA H 100 3.890 3.855 0.035 1
1 1144 . 1 1 1 A 122 122 GLU C C 100 176.450 177.653 -1.203 1
1 1145 . 1 1 1 A 122 122 GLU CA C 100 59.740 59.075 0.665 1
1 1146 . 1 1 1 A 122 122 GLU CB C 100 29.200 28.873 0.327 1
1 1148 . 1 1 1 A 123 123 PHE H H 101 6.120 7.299 -1.179 1
1 1149 . 1 1 1 A 123 123 PHE HA H 101 4.430 4.602 -0.172 1
1 1152 . 1 1 1 A 123 123 PHE C C 101 173.950 175.473 -1.523 1
1 1153 . 1 1 1 A 123 123 PHE CA C 101 54.750 58.038 -3.288 1
1 1154 . 1 1 1 A 123 123 PHE CB C 101 38.630 39.478 -0.848 1
1 1155 . 1 1 1 A 123 123 PHE N N 101 108.900 116.275 -7.375 1
1 1156 . 1 1 1 A 124 124 GLY H H 102 6.670 7.136 -0.466 1
1 1157 . 1 1 1 A 124 124 GLY HA2 H 102 4.780 4.094 0.686 1
1 1158 . 1 1 1 A 124 124 GLY HA3 H 102 3.770 4.200 -0.430 1
1 1159 . 1 1 1 A 124 124 GLY C C 102 170.410 172.051 -1.641 1
1 1160 . 1 1 1 A 124 124 GLY CA C 102 44.570 44.203 0.367 1
1 1161 . 1 1 1 A 124 124 GLY N N 102 108.900 106.915 1.985 1
1 1162 . 1 1 1 A 125 125 TYR H H 103 8.210 8.467 -0.257 1
1 1163 . 1 1 1 A 125 125 TYR HA H 103 5.080 4.785 0.295 1
1 1170 . 1 1 1 A 125 125 TYR C C 103 175.980 174.430 1.550 1
1 1171 . 1 1 1 A 125 125 TYR CA C 103 56.530 56.881 -0.351 1
1 1172 . 1 1 1 A 125 125 TYR CB C 103 40.180 38.813 1.367 1
1 1175 . 1 1 1 A 125 125 TYR N N 103 123.360 121.784 1.576 1
1 1176 . 1 1 1 A 126 126 THR H H 104 8.450 8.848 -0.398 1
1 1177 . 1 1 1 A 126 126 THR HA H 104 5.630 5.257 0.373 1
1 1182 . 1 1 1 A 126 126 THR C C 104 170.010 172.710 -2.700 1
1 1183 . 1 1 1 A 126 126 THR CA C 104 58.490 60.310 -1.820 1
1 1184 . 1 1 1 A 126 126 THR CB C 104 72.110 71.636 0.474 1
1 1186 . 1 1 1 A 126 126 THR N N 104 120.720 122.232 -1.512 1
1 1187 . 1 1 1 A 127 127 PHE H H 105 8.170 8.978 -0.808 1
1 1188 . 1 1 1 A 127 127 PHE HA H 105 4.620 5.383 -0.763 1
1 1195 . 1 1 1 A 127 127 PHE C C 105 172.490 173.255 -0.765 1
1 1196 . 1 1 1 A 127 127 PHE CA C 105 56.610 56.949 -0.339 1
1 1197 . 1 1 1 A 127 127 PHE CB C 105 41.710 42.911 -1.201 1
1 1200 . 1 1 1 A 127 127 PHE N N 105 120.530 128.114 -7.584 1
1 1201 . 1 1 1 A 128 128 THR H H 106 8.450 8.783 -0.333 1
1 1202 . 1 1 1 A 128 128 THR HA H 106 5.090 5.108 -0.018 1
1 1207 . 1 1 1 A 128 128 THR C C 106 172.750 173.399 -0.649 1
1 1208 . 1 1 1 A 128 128 THR CA C 106 63.340 60.816 2.524 1
1 1209 . 1 1 1 A 128 128 THR CB C 106 70.420 71.927 -1.507 1
1 1211 . 1 1 1 A 128 128 THR N N 106 114.010 120.665 -6.655 1
1 1212 . 1 1 1 A 129 129 ALA H H 107 10.030 8.953 1.077 1
1 1213 . 1 1 1 A 129 129 ALA HA H 107 5.540 5.335 0.205 1
1 1217 . 1 1 1 A 129 129 ALA C C 107 179.620 175.652 3.968 1
1 1218 . 1 1 1 A 129 129 ALA CA C 107 50.640 50.318 0.322 1
1 1219 . 1 1 1 A 129 129 ALA CB C 107 24.570 22.510 2.060 1
1 1220 . 1 1 1 A 129 129 ALA N N 107 135.110 129.328 5.782 1
1 1221 . 1 1 1 A 130 130 ALA H H 108 8.650 8.829 -0.179 1
1 1222 . 1 1 1 A 130 130 ALA HA H 108 5.380 5.387 -0.007 1
1 1226 . 1 1 1 A 130 130 ALA C C 108 175.480 176.338 -0.858 1
1 1227 . 1 1 1 A 130 130 ALA CA C 108 50.100 50.212 -0.112 1
1 1228 . 1 1 1 A 130 130 ALA CB C 108 22.770 22.082 0.688 1
1 1229 . 1 1 1 A 130 130 ALA N N 108 121.150 121.105 0.045 1
1 1230 . 1 1 1 A 131 131 ASP H H 109 8.770 8.617 0.153 1
1 1231 . 1 1 1 A 131 131 ASP HA H 109 3.910 4.851 -0.941 1
1 1234 . 1 1 1 A 131 131 ASP CA C 109 51.290 52.201 -0.911 1
1 1235 . 1 1 1 A 131 131 ASP CB C 109 41.350 40.733 0.617 1
1 1236 . 1 1 1 A 131 131 ASP N N 109 123.100 124.322 -1.222 1
1 1237 . 1 1 1 A 132 132 PRO HA H 110 4.140 4.123 0.017 1
1 1242 . 1 1 1 A 132 132 PRO C C 110 176.890 177.606 -0.716 1
1 1243 . 1 1 1 A 132 132 PRO CA C 110 65.730 65.636 0.094 1
1 1244 . 1 1 1 A 132 132 PRO CB C 110 31.850 31.573 0.277 1
1 1246 . 1 1 1 A 133 133 ASP H H 111 8.740 7.142 1.598 1
1 1247 . 1 1 1 A 133 133 ASP HA H 111 4.800 4.539 0.261 1
1 1250 . 1 1 1 A 133 133 ASP C C 111 173.720 175.050 -1.330 1
1 1251 . 1 1 1 A 133 133 ASP CA C 111 54.140 53.578 0.562 1
1 1252 . 1 1 1 A 133 133 ASP CB C 111 42.910 40.965 1.945 1
1 1253 . 1 1 1 A 133 133 ASP N N 111 118.220 115.589 2.631 1
1 1254 . 1 1 1 A 134 134 SER H H 112 8.370 7.518 0.852 1
1 1255 . 1 1 1 A 134 134 SER HA H 112 3.710 4.014 -0.304 1
1 1258 . 1 1 1 A 134 134 SER CA C 112 60.670 58.601 2.069 1
1 1259 . 1 1 1 A 134 134 SER CB C 112 61.430 61.499 -0.069 1
1 1260 . 1 1 1 A 134 134 SER N N 112 109.220 112.941 -3.721 1
1 1261 . 1 1 1 A 135 135 HIS H H 113 8.850 7.941 0.909 1
1 1268 . 1 1 1 A 135 135 HIS N N 113 122.820 119.981 2.839 1
1 1269 . 1 1 1 A 136 136 ARG HA H 114 4.680 4.534 0.146 1
1 1270 . 1 1 1 A 136 136 ARG C C 114 175.220 175.098 0.122 1
1 1271 . 1 1 1 A 136 136 ARG CA C 114 57.560 55.995 1.565 1
1 1272 . 1 1 1 A 137 137 LEU H H 115 8.680 8.943 -0.263 1
1 1273 . 1 1 1 A 137 137 LEU HA H 115 5.490 5.081 0.409 1
1 1282 . 1 1 1 A 137 137 LEU C C 115 174.620 175.189 -0.569 1
1 1283 . 1 1 1 A 137 137 LEU CA C 115 52.580 54.424 -1.844 1
1 1284 . 1 1 1 A 137 137 LEU CB C 115 43.070 41.559 1.511 1
1 1287 . 1 1 1 A 137 137 LEU N N 115 123.990 127.208 -3.218 1
1 1288 . 1 1 1 A 138 138 ARG H H 116 9.510 9.443 0.067 1
1 1289 . 1 1 1 A 138 138 ARG HA H 116 5.120 5.070 0.050 1
1 1292 . 1 1 1 A 138 138 ARG C C 116 175.090 174.575 0.515 1
1 1293 . 1 1 1 A 138 138 ARG CA C 116 54.700 55.306 -0.606 1
1 1294 . 1 1 1 A 138 138 ARG CB C 116 33.480 31.376 2.104 1
1 1295 . 1 1 1 A 138 138 ARG N N 116 125.370 126.324 -0.954 1
1 1296 . 1 1 1 A 139 139 VAL H H 117 7.970 8.476 -0.506 1
1 1297 . 1 1 1 A 139 139 VAL HA H 117 5.280 5.116 0.164 1
1 1305 . 1 1 1 A 139 139 VAL C C 117 176.390 175.344 1.046 1
1 1306 . 1 1 1 A 139 139 VAL CA C 117 60.090 61.758 -1.668 1
1 1307 . 1 1 1 A 139 139 VAL CB C 117 32.690 31.909 0.781 1
1 1310 . 1 1 1 A 139 139 VAL N N 117 128.260 126.970 1.290 1
1 1311 . 1 1 1 A 140 140 TYR H H 118 9.200 9.034 0.166 1
1 1312 . 1 1 1 A 140 140 TYR HA H 118 5.800 5.968 -0.168 1
1 1319 . 1 1 1 A 140 140 TYR C C 118 170.820 173.361 -2.541 1
1 1320 . 1 1 1 A 140 140 TYR CA C 118 56.060 55.293 0.767 1
1 1321 . 1 1 1 A 140 140 TYR CB C 118 42.460 41.545 0.915 1
1 1324 . 1 1 1 A 140 140 TYR N N 118 127.020 124.380 2.640 1
1 1325 . 1 1 1 A 141 141 ALA H H 119 8.330 9.250 -0.920 1
1 1326 . 1 1 1 A 141 141 ALA HA H 119 4.560 5.069 -0.509 1
1 1330 . 1 1 1 A 141 141 ALA C C 119 177.150 176.271 0.879 1
1 1331 . 1 1 1 A 141 141 ALA CA C 119 50.530 50.523 0.007 1
1 1332 . 1 1 1 A 141 141 ALA CB C 119 21.220 21.220 0.000 1
1 1333 . 1 1 1 A 141 141 ALA N N 119 121.160 122.937 -1.777 1
1 1334 . 1 1 1 A 142 142 PHE H H 120 8.780 9.089 -0.309 1
1 1335 . 1 1 1 A 142 142 PHE HA H 120 4.910 5.179 -0.269 1
1 1340 . 1 1 1 A 142 142 PHE C C 120 175.090 174.362 0.728 1
1 1341 . 1 1 1 A 142 142 PHE CA C 120 57.720 58.986 -1.266 1
1 1342 . 1 1 1 A 142 142 PHE CB C 120 40.810 39.949 0.861 1
1 1344 . 1 1 1 A 142 142 PHE N N 120 122.630 126.516 -3.886 1
1 1345 . 1 1 1 A 143 143 ALA H H 121 8.190 7.973 0.217 1
1 1346 . 1 1 1 A 143 143 ALA HA H 121 4.330 4.516 -0.186 1
1 1350 . 1 1 1 A 143 143 ALA C C 121 176.260 176.639 -0.379 1
1 1351 . 1 1 1 A 143 143 ALA CA C 121 52.280 51.308 0.972 1
1 1352 . 1 1 1 A 143 143 ALA CB C 121 19.310 18.839 0.471 1
1 1353 . 1 1 1 A 143 143 ALA N N 121 129.460 129.166 0.294 1
1 16 . 2 1 1 A 24 24 THR H H 2 8.350 8.122 0.228 1
1 17 . 2 1 1 A 24 24 THR HA H 2 4.470 4.403 0.067 1
1 22 . 2 1 1 A 24 24 THR CA C 2 61.890 62.581 -0.691 1
1 23 . 2 1 1 A 24 24 THR CB C 2 69.630 69.814 -0.184 1
1 25 . 2 1 1 A 24 24 THR N N 2 117.720 113.739 3.981 1
1 26 . 2 1 1 A 25 25 HIS H H 3 8.630 8.899 -0.269 1
1 27 . 2 1 1 A 25 25 HIS HA H 3 5.200 4.995 0.205 1
1 30 . 2 1 1 A 25 25 HIS CA C 3 51.620 53.419 -1.799 1
1 31 . 2 1 1 A 25 25 HIS CB C 3 33.320 30.555 2.765 1
1 32 . 2 1 1 A 25 25 HIS N N 3 124.890 125.995 -1.105 1
1 33 . 2 1 1 A 26 26 PRO HA H 4 4.170 4.720 -0.550 1
1 40 . 2 1 1 A 26 26 PRO C C 4 175.740 176.934 -1.194 1
1 41 . 2 1 1 A 26 26 PRO CA C 4 62.740 62.149 0.591 1
1 42 . 2 1 1 A 26 26 PRO CB C 4 31.460 30.105 1.355 1
1 45 . 2 1 1 A 27 27 ASP H H 5 8.270 8.038 0.232 1
1 46 . 2 1 1 A 27 27 ASP HA H 5 4.810 4.585 0.225 1
1 49 . 2 1 1 A 27 27 ASP C C 5 175.400 175.636 -0.236 1
1 50 . 2 1 1 A 27 27 ASP CA C 5 53.310 54.339 -1.029 1
1 51 . 2 1 1 A 27 27 ASP CB C 5 42.390 39.861 2.529 1
1 52 . 2 1 1 A 27 27 ASP N N 5 119.440 121.818 -2.378 1
1 53 . 2 1 1 A 28 28 PHE H H 6 7.280 7.886 -0.606 1
1 54 . 2 1 1 A 28 28 PHE HA H 6 5.440 5.210 0.230 1
1 61 . 2 1 1 A 28 28 PHE C C 6 174.180 173.342 0.838 1
1 62 . 2 1 1 A 28 28 PHE CA C 6 54.590 55.253 -0.663 1
1 63 . 2 1 1 A 28 28 PHE CB C 6 42.310 41.668 0.642 1
1 66 . 2 1 1 A 28 28 PHE N N 6 118.410 120.696 -2.286 1
1 67 . 2 1 1 A 29 29 THR H H 7 8.500 9.166 -0.666 1
1 68 . 2 1 1 A 29 29 THR HA H 7 4.800 5.167 -0.367 1
1 73 . 2 1 1 A 29 29 THR C C 7 172.280 172.639 -0.359 1
1 74 . 2 1 1 A 29 29 THR CA C 7 62.550 59.659 2.891 1
1 75 . 2 1 1 A 29 29 THR CB C 7 70.420 71.246 -0.826 1
1 77 . 2 1 1 A 29 29 THR N N 7 123.070 122.099 0.971 1
1 78 . 2 1 1 A 30 30 ILE H H 8 9.270 9.054 0.216 1
1 79 . 2 1 1 A 30 30 ILE HA H 8 4.680 4.633 0.047 1
1 89 . 2 1 1 A 30 30 ILE C C 8 173.970 174.840 -0.870 1
1 90 . 2 1 1 A 30 30 ILE CA C 8 59.220 59.771 -0.551 1
1 91 . 2 1 1 A 30 30 ILE CB C 8 40.210 41.422 -1.212 1
1 95 . 2 1 1 A 30 30 ILE N N 8 126.920 127.954 -1.034 1
1 96 . 2 1 1 A 31 31 LEU H H 9 8.760 8.546 0.214 1
1 97 . 2 1 1 A 31 31 LEU HA H 9 4.330 4.593 -0.263 1
1 107 . 2 1 1 A 31 31 LEU C C 9 176.520 175.811 0.709 1
1 108 . 2 1 1 A 31 31 LEU CA C 9 52.960 53.679 -0.719 1
1 109 . 2 1 1 A 31 31 LEU CB C 9 41.820 41.789 0.031 1
1 113 . 2 1 1 A 31 31 LEU N N 9 126.000 128.189 -2.189 1
1 114 . 2 1 1 A 32 32 TYR H H 10 8.190 8.967 -0.777 1
1 115 . 2 1 1 A 32 32 TYR HA H 10 5.980 4.678 1.302 1
1 118 . 2 1 1 A 32 32 TYR C C 10 177.720 175.309 2.411 1
1 119 . 2 1 1 A 32 32 TYR CA C 10 53.120 58.193 -5.073 1
1 120 . 2 1 1 A 32 32 TYR CB C 10 36.560 38.607 -2.047 1
1 121 . 2 1 1 A 32 32 TYR N N 10 122.130 126.856 -4.726 1
1 122 . 2 1 1 A 33 33 VAL H H 11 8.470 8.778 -0.308 1
1 123 . 2 1 1 A 33 33 VAL HA H 11 4.990 5.208 -0.218 1
1 131 . 2 1 1 A 33 33 VAL C C 11 176.030 175.329 0.701 1
1 132 . 2 1 1 A 33 33 VAL CA C 11 58.240 59.356 -1.116 1
1 133 . 2 1 1 A 33 33 VAL CB C 11 35.090 34.830 0.260 1
1 136 . 2 1 1 A 33 33 VAL N N 11 113.820 122.320 -8.500 1
1 137 . 2 1 1 A 34 34 ASP H H 12 9.750 8.952 0.798 1
1 138 . 2 1 1 A 34 34 ASP HA H 12 4.550 4.760 -0.210 1
1 141 . 2 1 1 A 34 34 ASP C C 12 177.230 176.433 0.797 1
1 142 . 2 1 1 A 34 34 ASP CA C 12 58.000 55.577 2.423 1
1 143 . 2 1 1 A 34 34 ASP CB C 12 42.780 42.234 0.546 1
1 144 . 2 1 1 A 34 34 ASP N N 12 124.140 121.648 2.492 1
1 145 . 2 1 1 A 35 35 ASN H H 13 9.250 7.590 1.660 1
1 146 . 2 1 1 A 35 35 ASN HA H 13 5.120 5.000 0.120 1
1 151 . 2 1 1 A 35 35 ASN CA C 13 50.610 50.906 -0.296 1
1 152 . 2 1 1 A 35 35 ASN CB C 13 39.920 38.887 1.033 1
1 153 . 2 1 1 A 35 35 ASN N N 13 114.460 116.887 -2.427 1
1 155 . 2 1 1 A 37 37 PRO HA H 15 4.350 4.294 0.056 1
1 162 . 2 1 1 A 37 37 PRO C C 15 179.310 179.265 0.045 1
1 163 . 2 1 1 A 37 37 PRO CA C 15 67.480 66.486 0.994 1
1 164 . 2 1 1 A 37 37 PRO CB C 15 31.340 30.808 0.532 1
1 167 . 2 1 1 A 38 38 ALA H H 16 7.740 8.234 -0.494 1
1 168 . 2 1 1 A 38 38 ALA HA H 16 4.310 4.116 0.194 1
1 172 . 2 1 1 A 38 38 ALA C C 16 182.490 180.204 2.286 1
1 173 . 2 1 1 A 38 38 ALA CA C 16 55.160 55.189 -0.029 1
1 174 . 2 1 1 A 38 38 ALA CB C 16 18.360 18.358 0.002 1
1 175 . 2 1 1 A 38 38 ALA N N 16 121.510 119.329 2.181 1
1 176 . 2 1 1 A 39 39 SER H H 17 8.770 7.758 1.012 1
1 177 . 2 1 1 A 39 39 SER HA H 17 4.190 4.280 -0.090 1
1 180 . 2 1 1 A 39 39 SER C C 17 175.610 176.585 -0.975 1
1 181 . 2 1 1 A 39 39 SER CA C 17 64.260 62.184 2.076 1
1 182 . 2 1 1 A 39 39 SER CB C 17 62.790 63.222 -0.432 1
1 183 . 2 1 1 A 39 39 SER N N 17 117.520 114.373 3.147 1
1 184 . 2 1 1 A 40 40 THR H H 18 9.310 7.732 1.578 1
1 185 . 2 1 1 A 40 40 THR HA H 18 4.480 4.044 0.436 1
1 190 . 2 1 1 A 40 40 THR C C 18 175.590 176.894 -1.304 1
1 191 . 2 1 1 A 40 40 THR CA C 18 68.130 67.138 0.992 1
1 192 . 2 1 1 A 40 40 THR CB C 18 68.480 68.794 -0.314 1
1 194 . 2 1 1 A 40 40 THR N N 18 120.600 117.650 2.950 1
1 195 . 2 1 1 A 41 41 GLN H H 19 7.610 7.895 -0.285 1
1 196 . 2 1 1 A 41 41 GLN HA H 19 4.080 4.096 -0.016 1
1 203 . 2 1 1 A 41 41 GLN C C 19 178.110 178.186 -0.076 1
1 204 . 2 1 1 A 41 41 GLN CA C 19 59.170 59.182 -0.012 1
1 205 . 2 1 1 A 41 41 GLN CB C 19 28.170 28.445 -0.275 1
1 207 . 2 1 1 A 41 41 GLN N N 19 120.130 119.896 0.234 1
1 209 . 2 1 1 A 42 42 PHE H H 20 7.710 7.915 -0.205 1
1 210 . 2 1 1 A 42 42 PHE HA H 20 4.080 4.157 -0.077 1
1 218 . 2 1 1 A 42 42 PHE C C 20 177.460 177.031 0.429 1
1 219 . 2 1 1 A 42 42 PHE CA C 20 61.760 61.391 0.369 1
1 220 . 2 1 1 A 42 42 PHE CB C 20 38.590 39.011 -0.421 1
1 224 . 2 1 1 A 42 42 PHE N N 20 120.560 122.016 -1.456 1
1 225 . 2 1 1 A 43 43 TYR H H 21 8.890 8.425 0.465 1
1 226 . 2 1 1 A 43 43 TYR HA H 21 3.700 4.178 -0.478 1
1 233 . 2 1 1 A 43 43 TYR C C 21 177.640 178.123 -0.483 1
1 234 . 2 1 1 A 43 43 TYR CA C 21 64.290 61.486 2.804 1
1 235 . 2 1 1 A 43 43 TYR CB C 21 38.110 37.513 0.597 1
1 238 . 2 1 1 A 43 43 TYR N N 21 118.420 118.104 0.316 1
1 239 . 2 1 1 A 44 44 LYS H H 22 8.860 7.992 0.868 1
1 240 . 2 1 1 A 44 44 LYS HA H 22 4.630 3.890 0.740 1
1 249 . 2 1 1 A 44 44 LYS C C 22 179.780 178.996 0.784 1
1 250 . 2 1 1 A 44 44 LYS CA C 22 59.630 59.550 0.080 1
1 251 . 2 1 1 A 44 44 LYS CB C 22 33.210 32.368 0.842 1
1 255 . 2 1 1 A 44 44 LYS N N 22 122.200 120.035 2.165 1
1 256 . 2 1 1 A 45 45 ALA H H 23 7.180 7.421 -0.241 1
1 257 . 2 1 1 A 45 45 ALA HA H 23 4.040 3.998 0.042 1
1 261 . 2 1 1 A 45 45 ALA C C 23 179.130 180.032 -0.902 1
1 262 . 2 1 1 A 45 45 ALA CA C 23 54.350 54.739 -0.389 1
1 263 . 2 1 1 A 45 45 ALA CB C 23 18.030 18.207 -0.177 1
1 264 . 2 1 1 A 45 45 ALA N N 23 120.710 121.658 -0.948 1
1 265 . 2 1 1 A 46 46 LEU H H 24 7.510 7.627 -0.117 1
1 266 . 2 1 1 A 46 46 LEU HA H 24 3.550 3.821 -0.271 1
1 276 . 2 1 1 A 46 46 LEU C C 24 178.680 178.646 0.034 1
1 277 . 2 1 1 A 46 46 LEU CA C 24 57.910 57.384 0.526 1
1 278 . 2 1 1 A 46 46 LEU CB C 24 43.950 41.327 2.623 1
1 282 . 2 1 1 A 46 46 LEU N N 24 118.650 119.725 -1.075 1
1 283 . 2 1 1 A 47 47 LEU H H 25 8.800 7.596 1.204 1
1 284 . 2 1 1 A 47 47 LEU HA H 25 4.480 4.535 -0.055 1
1 294 . 2 1 1 A 47 47 LEU C C 25 178.960 177.252 1.708 1
1 295 . 2 1 1 A 47 47 LEU CA C 25 55.010 56.091 -1.081 1
1 296 . 2 1 1 A 47 47 LEU CB C 25 42.500 42.792 -0.292 1
1 300 . 2 1 1 A 47 47 LEU N N 25 112.540 117.443 -4.903 1
1 301 . 2 1 1 A 48 48 GLY H H 26 7.810 8.194 -0.384 1
1 302 . 2 1 1 A 48 48 GLY HA2 H 26 4.030 3.948 0.082 1
1 303 . 2 1 1 A 48 48 GLY HA3 H 26 3.900 3.980 -0.080 1
1 304 . 2 1 1 A 48 48 GLY C C 26 173.560 173.822 -0.262 1
1 305 . 2 1 1 A 48 48 GLY CA C 26 46.810 46.030 0.780 1
1 306 . 2 1 1 A 48 48 GLY N N 26 107.650 106.611 1.039 1
1 307 . 2 1 1 A 49 49 VAL H H 27 7.100 7.314 -0.214 1
1 308 . 2 1 1 A 49 49 VAL HA H 27 4.700 4.836 -0.136 1
1 316 . 2 1 1 A 49 49 VAL C C 27 172.980 173.844 -0.864 1
1 317 . 2 1 1 A 49 49 VAL CA C 27 58.680 58.937 -0.257 1
1 318 . 2 1 1 A 49 49 VAL CB C 27 36.090 35.670 0.420 1
1 321 . 2 1 1 A 49 49 VAL N N 27 110.770 115.199 -4.429 1
1 322 . 2 1 1 A 50 50 ASP H H 28 8.100 8.741 -0.641 1
1 323 . 2 1 1 A 50 50 ASP HA H 28 4.930 5.324 -0.394 1
1 326 . 2 1 1 A 50 50 ASP CA C 28 52.550 51.309 1.241 1
1 327 . 2 1 1 A 50 50 ASP CB C 28 40.520 42.658 -2.138 1
1 328 . 2 1 1 A 50 50 ASP N N 28 119.760 120.563 -0.803 1
1 329 . 2 1 1 A 51 51 PRO HA H 29 3.700 4.913 -1.213 1
1 336 . 2 1 1 A 51 51 PRO C C 29 176.580 177.790 -1.210 1
1 337 . 2 1 1 A 51 51 PRO CA C 29 62.900 62.845 0.055 1
1 338 . 2 1 1 A 51 51 PRO CB C 29 30.550 31.872 -1.322 1
1 341 . 2 1 1 A 52 52 VAL H H 30 8.340 8.443 -0.103 1
1 342 . 2 1 1 A 52 52 VAL HA H 30 4.080 3.995 0.085 1
1 350 . 2 1 1 A 52 52 VAL C C 30 176.190 175.590 0.600 1
1 351 . 2 1 1 A 52 52 VAL CA C 30 62.790 64.047 -1.257 1
1 352 . 2 1 1 A 52 52 VAL CB C 30 32.280 32.328 -0.048 1
1 355 . 2 1 1 A 52 52 VAL N N 30 117.320 125.168 -7.848 1
1 356 . 2 1 1 A 53 53 GLU H H 31 7.170 7.736 -0.566 1
1 357 . 2 1 1 A 53 53 GLU HA H 31 4.580 4.905 -0.325 1
1 362 . 2 1 1 A 53 53 GLU C C 31 174.940 175.497 -0.557 1
1 363 . 2 1 1 A 53 53 GLU CA C 31 55.330 55.198 0.132 1
1 364 . 2 1 1 A 53 53 GLU CB C 31 33.370 31.492 1.878 1
1 366 . 2 1 1 A 53 53 GLU N N 31 118.180 120.495 -2.315 1
1 367 . 2 1 1 A 54 54 SER H H 32 8.650 8.857 -0.207 1
1 368 . 2 1 1 A 54 54 SER HA H 32 5.130 5.413 -0.283 1
1 371 . 2 1 1 A 54 54 SER C C 32 171.990 173.097 -1.107 1
1 372 . 2 1 1 A 54 54 SER CA C 32 57.940 56.648 1.292 1
1 373 . 2 1 1 A 54 54 SER CB C 32 64.720 65.697 -0.977 1
1 374 . 2 1 1 A 54 54 SER N N 32 117.210 119.202 -1.992 1
1 375 . 2 1 1 A 55 55 SER H H 33 8.760 8.615 0.145 1
1 376 . 2 1 1 A 55 55 SER N N 33 124.420 117.774 6.646 1
1 377 . 2 1 1 A 56 56 PRO HA H 34 4.320 4.445 -0.125 1
1 382 . 2 1 1 A 56 56 PRO C C 34 177.290 177.155 0.135 1
1 383 . 2 1 1 A 56 56 PRO CA C 34 65.750 64.359 1.391 1
1 384 . 2 1 1 A 56 56 PRO CB C 34 32.490 32.131 0.359 1
1 386 . 2 1 1 A 57 57 THR H H 35 7.810 8.222 -0.412 1
1 387 . 2 1 1 A 57 57 THR HA H 35 4.630 4.769 -0.139 1
1 392 . 2 1 1 A 57 57 THR C C 35 174.080 173.874 0.206 1
1 393 . 2 1 1 A 57 57 THR CA C 35 61.860 61.500 0.360 1
1 394 . 2 1 1 A 57 57 THR CB C 35 70.940 70.920 0.020 1
1 396 . 2 1 1 A 57 57 THR N N 35 101.710 111.091 -9.381 1
1 397 . 2 1 1 A 58 58 PHE H H 36 7.670 7.284 0.386 1
1 398 . 2 1 1 A 58 58 PHE HA H 36 5.780 4.709 1.071 1
1 405 . 2 1 1 A 58 58 PHE CA C 36 57.820 57.905 -0.085 1
1 406 . 2 1 1 A 58 58 PHE CB C 36 43.010 42.255 0.755 1
1 409 . 2 1 1 A 58 58 PHE N N 36 124.370 120.485 3.885 1
1 410 . 2 1 1 A 59 59 SER H H 37 8.070 7.887 0.183 1
1 411 . 2 1 1 A 59 59 SER HA H 37 4.890 5.326 -0.436 1
1 414 . 2 1 1 A 59 59 SER C C 37 170.010 172.626 -2.616 1
1 415 . 2 1 1 A 59 59 SER CA C 37 56.660 56.962 -0.302 1
1 416 . 2 1 1 A 59 59 SER CB C 37 67.490 66.096 1.394 1
1 417 . 2 1 1 A 59 59 SER N N 37 122.930 121.083 1.847 1
1 418 . 2 1 1 A 60 60 LEU H H 38 8.140 8.407 -0.267 1
1 419 . 2 1 1 A 60 60 LEU HA H 38 4.810 4.345 0.465 1
1 429 . 2 1 1 A 60 60 LEU C C 38 174.000 174.517 -0.517 1
1 430 . 2 1 1 A 60 60 LEU CA C 38 53.750 54.251 -0.501 1
1 431 . 2 1 1 A 60 60 LEU CB C 38 47.250 45.797 1.453 1
1 435 . 2 1 1 A 60 60 LEU N N 38 122.030 123.302 -1.272 1
1 436 . 2 1 1 A 61 61 PHE H H 39 9.460 8.103 1.357 1
1 437 . 2 1 1 A 61 61 PHE HA H 39 4.580 5.763 -1.183 1
1 444 . 2 1 1 A 61 61 PHE C C 39 174.390 173.252 1.138 1
1 445 . 2 1 1 A 61 61 PHE CA C 39 57.180 55.065 2.115 1
1 446 . 2 1 1 A 61 61 PHE CB C 39 41.570 42.709 -1.139 1
1 449 . 2 1 1 A 61 61 PHE N N 39 124.820 122.467 2.353 1
1 450 . 2 1 1 A 62 62 VAL H H 40 8.640 9.116 -0.476 1
1 451 . 2 1 1 A 62 62 VAL HA H 40 4.260 4.674 -0.414 1
1 459 . 2 1 1 A 62 62 VAL C C 40 175.380 175.071 0.309 1
1 460 . 2 1 1 A 62 62 VAL CA C 40 62.520 60.950 1.570 1
1 461 . 2 1 1 A 62 62 VAL CB C 40 32.470 34.360 -1.890 1
1 464 . 2 1 1 A 62 62 VAL N N 40 122.650 122.077 0.573 1
1 465 . 2 1 1 A 63 63 LEU H H 41 8.710 8.530 0.180 1
1 466 . 2 1 1 A 63 63 LEU HA H 41 4.590 4.621 -0.031 1
1 476 . 2 1 1 A 63 63 LEU CA C 41 53.560 53.962 -0.402 1
1 477 . 2 1 1 A 63 63 LEU CB C 41 41.600 42.355 -0.755 1
1 481 . 2 1 1 A 63 63 LEU N N 41 126.170 127.903 -1.733 1
1 482 . 2 1 1 A 64 64 ALA HA H 42 4.040 4.144 -0.104 1
1 486 . 2 1 1 A 64 64 ALA CA C 42 55.050 54.151 0.899 1
1 487 . 2 1 1 A 64 64 ALA CB C 42 18.580 18.659 -0.079 1
1 488 . 2 1 1 A 65 65 ASN H H 43 7.680 7.893 -0.213 1
1 489 . 2 1 1 A 65 65 ASN HA H 43 4.520 4.734 -0.214 1
1 494 . 2 1 1 A 65 65 ASN C C 43 175.860 175.758 0.102 1
1 495 . 2 1 1 A 65 65 ASN CA C 43 52.530 53.408 -0.878 1
1 496 . 2 1 1 A 65 65 ASN CB C 43 37.800 38.627 -0.827 1
1 497 . 2 1 1 A 65 65 ASN N N 43 112.130 114.921 -2.791 1
1 499 . 2 1 1 A 66 66 GLY H H 44 8.070 8.125 -0.055 1
1 500 . 2 1 1 A 66 66 GLY HA2 H 44 4.330 3.936 0.394 1
1 501 . 2 1 1 A 66 66 GLY HA3 H 44 3.480 3.939 -0.459 1
1 502 . 2 1 1 A 66 66 GLY C C 44 174.260 173.804 0.456 1
1 503 . 2 1 1 A 66 66 GLY CA C 44 44.930 45.492 -0.562 1
1 504 . 2 1 1 A 66 66 GLY N N 44 107.650 108.122 -0.472 1
1 505 . 2 1 1 A 67 67 MET H H 45 7.900 7.747 0.153 1
1 506 . 2 1 1 A 67 67 MET HA H 45 4.420 5.022 -0.602 1
1 514 . 2 1 1 A 67 67 MET CA C 45 55.520 53.136 2.384 1
1 515 . 2 1 1 A 67 67 MET CB C 45 33.630 36.099 -2.469 1
1 518 . 2 1 1 A 67 67 MET N N 45 121.850 116.390 5.460 1
1 519 . 2 1 1 A 68 68 LYS HA H 46 5.040 5.139 -0.099 1
1 528 . 2 1 1 A 68 68 LYS C C 46 174.600 174.308 0.292 1
1 529 . 2 1 1 A 68 68 LYS CA C 46 55.410 54.886 0.524 1
1 530 . 2 1 1 A 68 68 LYS CB C 46 34.460 35.986 -1.526 1
1 534 . 2 1 1 A 69 69 LEU H H 47 8.830 8.634 0.196 1
1 535 . 2 1 1 A 69 69 LEU HA H 47 5.450 5.582 -0.132 1
1 545 . 2 1 1 A 69 69 LEU C C 47 174.880 175.249 -0.369 1
1 546 . 2 1 1 A 69 69 LEU CA C 47 52.980 53.797 -0.817 1
1 547 . 2 1 1 A 69 69 LEU CB C 47 46.560 45.512 1.048 1
1 551 . 2 1 1 A 69 69 LEU N N 47 124.960 126.150 -1.190 1
1 552 . 2 1 1 A 70 70 GLY H H 48 9.580 9.243 0.337 1
1 553 . 2 1 1 A 70 70 GLY HA2 H 48 5.220 3.789 1.431 1
1 554 . 2 1 1 A 70 70 GLY HA3 H 48 3.090 4.092 -1.002 1
1 555 . 2 1 1 A 70 70 GLY C C 48 170.590 172.002 -1.412 1
1 556 . 2 1 1 A 70 70 GLY CA C 48 43.370 43.964 -0.594 1
1 557 . 2 1 1 A 70 70 GLY N N 48 113.940 113.931 0.009 1
1 558 . 2 1 1 A 71 71 LEU H H 49 8.250 7.972 0.278 1
1 559 . 2 1 1 A 71 71 LEU HA H 49 5.150 5.029 0.121 1
1 569 . 2 1 1 A 71 71 LEU C C 49 173.920 173.937 -0.017 1
1 570 . 2 1 1 A 71 71 LEU CA C 49 52.770 53.914 -1.144 1
1 571 . 2 1 1 A 71 71 LEU CB C 49 43.100 45.597 -2.497 1
1 575 . 2 1 1 A 71 71 LEU N N 49 122.270 120.615 1.655 1
1 576 . 2 1 1 A 72 72 TRP H H 50 8.960 8.680 0.280 1
1 577 . 2 1 1 A 72 72 TRP HA H 50 5.860 5.652 0.208 1
1 584 . 2 1 1 A 72 72 TRP C C 50 175.740 174.472 1.268 1
1 585 . 2 1 1 A 72 72 TRP CA C 50 53.170 54.871 -1.701 1
1 586 . 2 1 1 A 72 72 TRP CB C 50 34.990 32.310 2.680 1
1 590 . 2 1 1 A 72 72 TRP N N 50 125.010 127.787 -2.777 1
1 592 . 2 1 1 A 73 73 SER H H 51 9.010 8.536 0.474 1
1 593 . 2 1 1 A 73 73 SER HA H 51 4.570 4.731 -0.161 1
1 596 . 2 1 1 A 73 73 SER C C 51 176.240 176.045 0.195 1
1 597 . 2 1 1 A 73 73 SER CA C 51 58.490 57.061 1.429 1
1 598 . 2 1 1 A 73 73 SER CB C 51 63.770 63.899 -0.129 1
1 599 . 2 1 1 A 73 73 SER N N 51 120.380 124.306 -3.926 1
1 600 . 2 1 1 A 74 74 ARG H H 52 9.420 8.494 0.926 1
1 601 . 2 1 1 A 74 74 ARG HA H 52 3.460 3.780 -0.320 1
1 608 . 2 1 1 A 74 74 ARG C C 52 175.610 176.558 -0.948 1
1 609 . 2 1 1 A 74 74 ARG CA C 52 57.590 57.805 -0.215 1
1 610 . 2 1 1 A 74 74 ARG CB C 52 28.900 29.257 -0.357 1
1 613 . 2 1 1 A 74 74 ARG N N 52 128.770 126.338 2.432 1
1 614 . 2 1 1 A 75 75 HIS H H 53 7.910 7.901 0.009 1
1 615 . 2 1 1 A 75 75 HIS HA H 53 4.310 4.546 -0.236 1
1 619 . 2 1 1 A 75 75 HIS C C 53 176.610 175.439 1.171 1
1 620 . 2 1 1 A 75 75 HIS CA C 53 57.190 57.184 0.006 1
1 621 . 2 1 1 A 75 75 HIS CB C 53 31.260 29.214 2.046 1
1 623 . 2 1 1 A 75 75 HIS N N 53 117.320 117.258 0.062 1
1 624 . 2 1 1 A 76 76 THR H H 54 7.360 7.414 -0.054 1
1 625 . 2 1 1 A 76 76 THR HA H 54 4.540 4.592 -0.052 1
1 630 . 2 1 1 A 76 76 THR C C 54 175.120 174.135 0.985 1
1 631 . 2 1 1 A 76 76 THR CA C 54 61.840 61.323 0.517 1
1 632 . 2 1 1 A 76 76 THR CB C 54 69.680 70.767 -1.087 1
1 634 . 2 1 1 A 76 76 THR N N 54 107.350 113.809 -6.459 1
1 635 . 2 1 1 A 77 77 VAL H H 55 6.630 7.468 -0.838 1
1 636 . 2 1 1 A 77 77 VAL HA H 55 2.700 4.042 -1.342 1
1 644 . 2 1 1 A 77 77 VAL C C 55 173.920 175.349 -1.429 1
1 645 . 2 1 1 A 77 77 VAL CA C 55 63.500 62.635 0.865 1
1 646 . 2 1 1 A 77 77 VAL CB C 55 31.270 32.418 -1.148 1
1 649 . 2 1 1 A 77 77 VAL N N 55 123.760 122.273 1.487 1
1 650 . 2 1 1 A 78 78 GLU H H 56 6.010 8.331 -2.321 1
1 651 . 2 1 1 A 78 78 GLU HA H 56 4.160 4.768 -0.608 1
1 656 . 2 1 1 A 78 78 GLU CA C 56 53.120 52.355 0.765 1
1 657 . 2 1 1 A 78 78 GLU CB C 56 32.240 30.905 1.335 1
1 659 . 2 1 1 A 78 78 GLU N N 56 124.820 127.647 -2.827 1
1 660 . 2 1 1 A 79 79 PRO HA H 57 4.620 4.628 -0.008 1
1 667 . 2 1 1 A 79 79 PRO C C 57 176.190 176.595 -0.405 1
1 668 . 2 1 1 A 79 79 PRO CA C 57 61.890 62.446 -0.556 1
1 669 . 2 1 1 A 79 79 PRO CB C 57 33.620 32.153 1.467 1
1 672 . 2 1 1 A 80 80 LYS H H 58 8.340 8.255 0.085 1
1 673 . 2 1 1 A 80 80 LYS HA H 58 3.880 4.352 -0.472 1
1 682 . 2 1 1 A 80 80 LYS C C 58 177.100 176.630 0.470 1
1 683 . 2 1 1 A 80 80 LYS CA C 58 57.610 56.702 0.908 1
1 684 . 2 1 1 A 80 80 LYS CB C 58 32.400 31.978 0.422 1
1 688 . 2 1 1 A 80 80 LYS N N 58 121.510 121.414 0.096 1
1 689 . 2 1 1 A 81 81 ALA H H 59 8.430 8.773 -0.343 1
1 690 . 2 1 1 A 81 81 ALA HA H 59 4.870 5.156 -0.286 1
1 694 . 2 1 1 A 81 81 ALA C C 59 177.460 175.427 2.033 1
1 695 . 2 1 1 A 81 81 ALA CA C 59 51.020 50.784 0.236 1
1 696 . 2 1 1 A 81 81 ALA CB C 59 22.910 23.757 -0.847 1
1 697 . 2 1 1 A 81 81 ALA N N 59 129.030 127.281 1.749 1
1 698 . 2 1 1 A 82 82 SER H H 60 9.680 8.729 0.951 1
1 699 . 2 1 1 A 82 82 SER HA H 60 4.510 5.298 -0.788 1
1 702 . 2 1 1 A 82 82 SER C C 60 172.960 172.993 -0.033 1
1 703 . 2 1 1 A 82 82 SER CA C 60 58.350 57.522 0.828 1
1 704 . 2 1 1 A 82 82 SER CB C 60 65.150 64.972 0.178 1
1 705 . 2 1 1 A 82 82 SER N N 60 115.930 116.910 -0.980 1
1 706 . 2 1 1 A 83 83 VAL H H 61 7.450 8.728 -1.278 1
1 707 . 2 1 1 A 83 83 VAL HA H 61 4.260 4.781 -0.521 1
1 715 . 2 1 1 A 83 83 VAL CA C 61 60.940 60.645 0.295 1
1 716 . 2 1 1 A 83 83 VAL CB C 61 35.360 34.511 0.849 1
1 719 . 2 1 1 A 83 83 VAL N N 61 121.550 124.263 -2.713 1
1 720 . 2 1 1 A 84 84 THR H H 62 7.850 8.674 -0.824 1
1 721 . 2 1 1 A 84 84 THR HA H 62 4.750 5.183 -0.433 1
1 726 . 2 1 1 A 84 84 THR C C 62 174.040 173.900 0.140 1
1 727 . 2 1 1 A 84 84 THR CA C 62 59.370 59.758 -0.388 1
1 728 . 2 1 1 A 84 84 THR CB C 62 68.800 71.647 -2.847 1
1 730 . 2 1 1 A 84 84 THR N N 62 111.040 120.141 -9.101 1
1 731 . 2 1 1 A 85 85 GLY H H 63 7.950 8.619 -0.669 1
1 732 . 2 1 1 A 85 85 GLY HA2 H 63 3.480 3.985 -0.505 1
1 733 . 2 1 1 A 85 85 GLY HA3 H 63 2.950 4.002 -1.052 1
1 734 . 2 1 1 A 85 85 GLY C C 63 174.140 174.843 -0.703 1
1 735 . 2 1 1 A 85 85 GLY CA C 63 45.490 46.570 -1.080 1
1 736 . 2 1 1 A 85 85 GLY N N 63 109.700 113.232 -3.532 1
1 737 . 2 1 1 A 86 86 GLY H H 64 8.530 7.873 0.657 1
1 738 . 2 1 1 A 86 86 GLY HA2 H 64 4.550 4.042 0.508 1
1 739 . 2 1 1 A 86 86 GLY HA3 H 64 3.700 4.054 -0.354 1
1 740 . 2 1 1 A 86 86 GLY C C 64 174.700 174.129 0.571 1
1 741 . 2 1 1 A 86 86 GLY CA C 64 45.600 45.718 -0.118 1
1 742 . 2 1 1 A 86 86 GLY N N 64 107.420 106.497 0.923 1
1 743 . 2 1 1 A 87 87 GLY H H 65 9.280 8.031 1.249 1
1 744 . 2 1 1 A 87 87 GLY HA2 H 65 4.860 4.079 0.781 1
1 745 . 2 1 1 A 87 87 GLY HA3 H 65 4.160 4.096 0.064 1
1 746 . 2 1 1 A 87 87 GLY C C 65 172.640 174.235 -1.595 1
1 747 . 2 1 1 A 87 87 GLY CA C 65 45.630 44.202 1.428 1
1 748 . 2 1 1 A 87 87 GLY N N 65 111.380 108.669 2.711 1
1 749 . 2 1 1 A 88 88 GLY H H 66 6.610 8.603 -1.993 1
1 750 . 2 1 1 A 88 88 GLY HA2 H 66 4.020 4.082 -0.062 1
1 751 . 2 1 1 A 88 88 GLY HA3 H 66 2.360 4.089 -1.729 1
1 752 . 2 1 1 A 88 88 GLY C C 66 172.250 173.758 -1.508 1
1 753 . 2 1 1 A 88 88 GLY CA C 66 43.910 44.988 -1.078 1
1 754 . 2 1 1 A 88 88 GLY N N 66 105.700 107.686 -1.986 1
1 755 . 2 1 1 A 89 89 GLU H H 67 9.230 8.412 0.818 1
1 756 . 2 1 1 A 89 89 GLU HA H 67 5.100 5.443 -0.343 1
1 761 . 2 1 1 A 89 89 GLU C C 67 175.770 174.439 1.331 1
1 762 . 2 1 1 A 89 89 GLU CA C 67 54.540 54.549 -0.009 1
1 763 . 2 1 1 A 89 89 GLU CB C 67 34.710 33.526 1.184 1
1 765 . 2 1 1 A 89 89 GLU N N 67 117.210 121.954 -4.744 1
1 766 . 2 1 1 A 90 90 LEU H H 68 8.470 9.175 -0.705 1
1 767 . 2 1 1 A 90 90 LEU HA H 68 5.050 5.029 0.021 1
1 777 . 2 1 1 A 90 90 LEU C C 68 175.460 175.006 0.454 1
1 778 . 2 1 1 A 90 90 LEU CA C 68 54.160 53.850 0.310 1
1 779 . 2 1 1 A 90 90 LEU CB C 68 44.250 44.558 -0.308 1
1 783 . 2 1 1 A 90 90 LEU N N 68 120.420 124.479 -4.059 1
1 784 . 2 1 1 A 91 91 ALA H H 69 8.880 8.903 -0.023 1
1 785 . 2 1 1 A 91 91 ALA HA H 69 5.990 5.362 0.628 1
1 789 . 2 1 1 A 91 91 ALA C C 69 175.300 176.666 -1.366 1
1 790 . 2 1 1 A 91 91 ALA CA C 69 50.340 50.804 -0.464 1
1 791 . 2 1 1 A 91 91 ALA CB C 69 21.140 20.023 1.117 1
1 792 . 2 1 1 A 91 91 ALA N N 69 124.720 130.727 -6.007 1
1 793 . 2 1 1 A 92 92 PHE H H 70 10.090 9.636 0.454 1
1 794 . 2 1 1 A 92 92 PHE HA H 70 4.700 5.129 -0.429 1
1 802 . 2 1 1 A 92 92 PHE CA C 70 56.580 57.292 -0.712 1
1 803 . 2 1 1 A 92 92 PHE CB C 70 40.490 39.767 0.723 1
1 807 . 2 1 1 A 92 92 PHE N N 70 122.920 124.008 -1.088 1
1 808 . 2 1 1 A 93 93 ARG H H 71 9.030 9.105 -0.075 1
1 809 . 2 1 1 A 93 93 ARG HA H 71 4.460 4.573 -0.113 1
1 816 . 2 1 1 A 93 93 ARG C C 71 176.910 175.942 0.968 1
1 817 . 2 1 1 A 93 93 ARG CA C 71 55.080 56.197 -1.117 1
1 818 . 2 1 1 A 93 93 ARG CB C 71 31.950 31.210 0.740 1
1 821 . 2 1 1 A 93 93 ARG N N 71 125.390 124.909 0.481 1
1 822 . 2 1 1 A 94 94 VAL H H 72 8.470 8.099 0.371 1
1 823 . 2 1 1 A 94 94 VAL HA H 72 4.820 4.728 0.092 1
1 831 . 2 1 1 A 94 94 VAL C C 72 176.320 175.994 0.326 1
1 832 . 2 1 1 A 94 94 VAL CA C 72 59.190 58.889 0.301 1
1 833 . 2 1 1 A 94 94 VAL CB C 72 32.550 34.952 -2.402 1
1 836 . 2 1 1 A 94 94 VAL N N 72 119.430 119.655 -0.225 1
1 837 . 2 1 1 A 95 95 GLU H H 73 8.160 8.827 -0.667 1
1 838 . 2 1 1 A 95 95 GLU HA H 73 3.940 4.184 -0.244 1
1 843 . 2 1 1 A 95 95 GLU C C 73 176.560 176.532 0.028 1
1 844 . 2 1 1 A 95 95 GLU CA C 73 59.620 58.694 0.926 1
1 845 . 2 1 1 A 95 95 GLU CB C 73 31.400 29.601 1.799 1
1 847 . 2 1 1 A 95 95 GLU N N 73 116.510 120.655 -4.145 1
1 848 . 2 1 1 A 96 96 ASN H H 74 7.240 7.783 -0.543 1
1 849 . 2 1 1 A 96 96 ASN HA H 74 4.780 5.008 -0.228 1
1 854 . 2 1 1 A 96 96 ASN C C 74 174.960 174.639 0.321 1
1 855 . 2 1 1 A 96 96 ASN CA C 74 51.570 52.578 -1.008 1
1 856 . 2 1 1 A 96 96 ASN CB C 74 40.130 39.489 0.641 1
1 857 . 2 1 1 A 96 96 ASN N N 74 108.930 114.089 -5.159 1
1 859 . 2 1 1 A 97 97 ASP H H 75 8.330 9.024 -0.694 1
1 860 . 2 1 1 A 97 97 ASP HA H 75 4.190 4.412 -0.222 1
1 863 . 2 1 1 A 97 97 ASP C C 75 177.800 178.411 -0.611 1
1 864 . 2 1 1 A 97 97 ASP CA C 75 57.780 56.603 1.177 1
1 865 . 2 1 1 A 97 97 ASP CB C 75 39.230 39.539 -0.309 1
1 866 . 2 1 1 A 97 97 ASP N N 75 120.390 118.296 2.094 1
1 867 . 2 1 1 A 98 98 ALA H H 76 8.090 8.071 0.019 1
1 868 . 2 1 1 A 98 98 ALA HA H 76 4.210 3.934 0.276 1
1 872 . 2 1 1 A 98 98 ALA C C 76 181.130 180.276 0.854 1
1 873 . 2 1 1 A 98 98 ALA CA C 76 55.160 55.449 -0.289 1
1 874 . 2 1 1 A 98 98 ALA CB C 76 17.440 18.249 -0.809 1
1 875 . 2 1 1 A 98 98 ALA N N 76 122.660 121.666 0.994 1
1 876 . 2 1 1 A 99 99 GLN H H 77 8.110 7.911 0.199 1
1 877 . 2 1 1 A 99 99 GLN HA H 77 4.170 4.136 0.034 1
1 884 . 2 1 1 A 99 99 GLN C C 77 180.190 178.686 1.504 1
1 885 . 2 1 1 A 99 99 GLN CA C 77 58.680 58.528 0.152 1
1 886 . 2 1 1 A 99 99 GLN CB C 77 28.590 28.514 0.076 1
1 888 . 2 1 1 A 99 99 GLN N N 77 116.870 117.625 -0.755 1
1 890 . 2 1 1 A 100 100 VAL H H 78 7.860 7.546 0.314 1
1 891 . 2 1 1 A 100 100 VAL HA H 78 3.400 3.554 -0.154 1
1 899 . 2 1 1 A 100 100 VAL C C 78 177.510 177.920 -0.410 1
1 900 . 2 1 1 A 100 100 VAL CA C 78 67.800 66.286 1.514 1
1 901 . 2 1 1 A 100 100 VAL CB C 78 30.810 31.871 -1.061 1
1 904 . 2 1 1 A 100 100 VAL N N 78 125.200 121.075 4.125 1
1 905 . 2 1 1 A 101 101 ASP H H 79 7.810 7.938 -0.128 1
1 906 . 2 1 1 A 101 101 ASP HA H 79 4.420 4.190 0.230 1
1 909 . 2 1 1 A 101 101 ASP C C 79 175.010 178.633 -3.623 1
1 910 . 2 1 1 A 101 101 ASP CA C 79 58.490 57.182 1.308 1
1 911 . 2 1 1 A 101 101 ASP CB C 79 40.400 40.871 -0.471 1
1 912 . 2 1 1 A 101 101 ASP N N 79 119.560 120.217 -0.657 1
1 913 . 2 1 1 A 102 102 GLU H H 80 8.620 8.052 0.568 1
1 914 . 2 1 1 A 102 102 GLU HA H 80 4.080 4.033 0.047 1
1 919 . 2 1 1 A 102 102 GLU C C 80 179.540 179.252 0.288 1
1 920 . 2 1 1 A 102 102 GLU CA C 80 59.470 59.171 0.299 1
1 921 . 2 1 1 A 102 102 GLU CB C 80 30.210 29.353 0.857 1
1 923 . 2 1 1 A 102 102 GLU N N 80 121.400 118.982 2.418 1
1 924 . 2 1 1 A 103 103 THR H H 81 8.120 7.646 0.474 1
1 925 . 2 1 1 A 103 103 THR HA H 81 3.660 3.679 -0.019 1
1 930 . 2 1 1 A 103 103 THR C C 81 174.440 176.246 -1.806 1
1 931 . 2 1 1 A 103 103 THR CA C 81 66.990 66.081 0.909 1
1 932 . 2 1 1 A 103 103 THR CB C 81 68.070 67.903 0.167 1
1 934 . 2 1 1 A 103 103 THR N N 81 118.770 118.939 -0.169 1
1 935 . 2 1 1 A 104 104 PHE H H 82 8.340 7.951 0.389 1
1 936 . 2 1 1 A 104 104 PHE HA H 82 3.030 3.607 -0.577 1
1 943 . 2 1 1 A 104 104 PHE C C 82 176.050 176.842 -0.792 1
1 944 . 2 1 1 A 104 104 PHE CA C 82 61.480 61.837 -0.357 1
1 945 . 2 1 1 A 104 104 PHE CB C 82 38.550 38.755 -0.205 1
1 948 . 2 1 1 A 104 104 PHE N N 82 122.350 121.493 0.857 1
1 949 . 2 1 1 A 105 105 ALA H H 83 7.780 8.326 -0.546 1
1 950 . 2 1 1 A 105 105 ALA HA H 83 3.680 4.217 -0.537 1
1 954 . 2 1 1 A 105 105 ALA C C 83 181.410 179.917 1.493 1
1 955 . 2 1 1 A 105 105 ALA CA C 83 54.880 55.066 -0.186 1
1 956 . 2 1 1 A 105 105 ALA CB C 83 18.080 18.360 -0.280 1
1 957 . 2 1 1 A 105 105 ALA N N 83 118.740 121.154 -2.414 1
1 958 . 2 1 1 A 106 106 GLY H H 84 8.120 8.069 0.051 1
1 959 . 2 1 1 A 106 106 GLY HA2 H 84 3.910 3.568 0.342 1
1 960 . 2 1 1 A 106 106 GLY HA3 H 84 3.810 3.572 0.238 1
1 961 . 2 1 1 A 106 106 GLY C C 84 176.780 177.319 -0.539 1
1 962 . 2 1 1 A 106 106 GLY CA C 84 46.910 47.025 -0.115 1
1 963 . 2 1 1 A 106 106 GLY N N 84 107.090 105.024 2.066 1
1 964 . 2 1 1 A 107 107 TRP H H 85 9.240 7.744 1.496 1
1 965 . 2 1 1 A 107 107 TRP HA H 85 4.440 4.646 -0.206 1
1 972 . 2 1 1 A 107 107 TRP C C 85 179.210 178.475 0.735 1
1 973 . 2 1 1 A 107 107 TRP CA C 85 59.190 60.556 -1.366 1
1 974 . 2 1 1 A 107 107 TRP CB C 85 28.450 29.049 -0.599 1
1 978 . 2 1 1 A 107 107 TRP N N 85 124.820 122.083 2.737 1
1 980 . 2 1 1 A 108 108 LYS H H 86 8.610 8.339 0.271 1
1 981 . 2 1 1 A 108 108 LYS HA H 86 3.920 3.887 0.033 1
1 990 . 2 1 1 A 108 108 LYS C C 86 180.980 178.570 2.410 1
1 991 . 2 1 1 A 108 108 LYS CA C 86 60.040 59.380 0.660 1
1 992 . 2 1 1 A 108 108 LYS CB C 86 31.850 32.300 -0.450 1
1 996 . 2 1 1 A 108 108 LYS N N 86 121.490 121.153 0.337 1
1 997 . 2 1 1 A 109 109 ALA H H 87 7.890 7.841 0.049 1
1 998 . 2 1 1 A 109 109 ALA HA H 87 4.150 4.169 -0.019 1
1 1002 . 2 1 1 A 109 109 ALA C C 87 179.050 178.423 0.627 1
1 1003 . 2 1 1 A 109 109 ALA CA C 87 54.670 54.428 0.242 1
1 1004 . 2 1 1 A 109 109 ALA CB C 87 18.010 18.147 -0.137 1
1 1005 . 2 1 1 A 109 109 ALA N N 87 121.920 121.454 0.466 1
1 1006 . 2 1 1 A 110 110 SER H H 88 7.510 7.507 0.003 1
1 1007 . 2 1 1 A 110 110 SER HA H 88 4.450 4.628 -0.178 1
1 1010 . 2 1 1 A 110 110 SER C C 88 174.140 174.602 -0.462 1
1 1011 . 2 1 1 A 110 110 SER CA C 88 58.750 58.284 0.466 1
1 1012 . 2 1 1 A 110 110 SER CB C 88 63.950 63.400 0.550 1
1 1013 . 2 1 1 A 110 110 SER N N 88 112.390 111.548 0.842 1
1 1014 . 2 1 1 A 111 111 GLY H H 89 7.790 8.020 -0.230 1
1 1015 . 2 1 1 A 111 111 GLY HA2 H 89 4.180 3.986 0.194 1
1 1016 . 2 1 1 A 111 111 GLY HA3 H 89 3.700 3.998 -0.298 1
1 1017 . 2 1 1 A 111 111 GLY C C 89 174.520 174.589 -0.069 1
1 1018 . 2 1 1 A 111 111 GLY CA C 89 45.530 46.899 -1.369 1
1 1019 . 2 1 1 A 111 111 GLY N N 89 108.220 110.160 -1.940 1
1 1020 . 2 1 1 A 112 112 VAL H H 90 7.660 7.623 0.037 1
1 1021 . 2 1 1 A 112 112 VAL HA H 90 3.830 4.297 -0.467 1
1 1029 . 2 1 1 A 112 112 VAL C C 90 175.430 176.143 -0.713 1
1 1030 . 2 1 1 A 112 112 VAL CA C 90 63.880 61.333 2.547 1
1 1031 . 2 1 1 A 112 112 VAL CB C 90 32.040 33.254 -1.214 1
1 1034 . 2 1 1 A 112 112 VAL N N 90 122.880 120.125 2.755 1
1 1035 . 2 1 1 A 113 113 ALA H H 91 8.720 8.444 0.276 1
1 1036 . 2 1 1 A 113 113 ALA HA H 91 4.210 3.982 0.228 1
1 1040 . 2 1 1 A 113 113 ALA C C 91 176.290 177.725 -1.435 1
1 1041 . 2 1 1 A 113 113 ALA CA C 91 52.900 55.416 -2.516 1
1 1042 . 2 1 1 A 113 113 ALA CB C 91 19.290 18.397 0.893 1
1 1043 . 2 1 1 A 113 113 ALA N N 91 132.080 127.564 4.516 1
1 1044 . 2 1 1 A 114 114 MET H H 92 8.260 7.638 0.622 1
1 1045 . 2 1 1 A 114 114 MET HA H 92 5.330 4.166 1.164 1
1 1051 . 2 1 1 A 114 114 MET C C 92 176.780 176.242 0.538 1
1 1052 . 2 1 1 A 114 114 MET CA C 92 53.390 56.235 -2.845 1
1 1053 . 2 1 1 A 114 114 MET CB C 92 33.450 31.127 2.323 1
1 1055 . 2 1 1 A 114 114 MET N N 92 116.930 116.502 0.428 1
1 1056 . 2 1 1 A 115 115 LEU H H 93 8.990 8.145 0.845 1
1 1057 . 2 1 1 A 115 115 LEU HA H 93 4.550 4.980 -0.430 1
1 1067 . 2 1 1 A 115 115 LEU C C 93 176.630 175.612 1.018 1
1 1068 . 2 1 1 A 115 115 LEU CA C 93 55.140 53.667 1.473 1
1 1069 . 2 1 1 A 115 115 LEU CB C 93 44.810 42.610 2.200 1
1 1073 . 2 1 1 A 115 115 LEU N N 93 122.250 117.105 5.145 1
1 1074 . 2 1 1 A 116 116 GLN H H 94 8.280 8.334 -0.054 1
1 1075 . 2 1 1 A 116 116 GLN HA H 94 4.700 4.601 0.099 1
1 1080 . 2 1 1 A 116 116 GLN C C 94 174.860 174.162 0.698 1
1 1081 . 2 1 1 A 116 116 GLN CA C 94 55.600 55.856 -0.256 1
1 1082 . 2 1 1 A 116 116 GLN CB C 94 33.510 32.206 1.304 1
1 1083 . 2 1 1 A 116 116 GLN N N 94 121.140 123.227 -2.087 1
1 1085 . 2 1 1 A 117 117 GLN H H 95 8.490 8.681 -0.191 1
1 1086 . 2 1 1 A 117 117 GLN HA H 95 4.080 4.678 -0.598 1
1 1093 . 2 1 1 A 117 117 GLN CA C 95 54.860 53.540 1.320 1
1 1094 . 2 1 1 A 117 117 GLN CB C 95 26.550 29.086 -2.536 1
1 1096 . 2 1 1 A 117 117 GLN N N 95 125.610 126.384 -0.774 1
1 1098 . 2 1 1 A 118 118 PRO HA H 96 4.410 4.645 -0.235 1
1 1103 . 2 1 1 A 118 118 PRO C C 96 176.290 175.607 0.683 1
1 1104 . 2 1 1 A 118 118 PRO CA C 96 64.130 63.067 1.063 1
1 1105 . 2 1 1 A 118 118 PRO CB C 96 30.550 31.775 -1.225 1
1 1107 . 2 1 1 A 119 119 ALA H H 97 8.980 8.291 0.689 1
1 1108 . 2 1 1 A 119 119 ALA HA H 97 4.550 4.898 -0.348 1
1 1112 . 2 1 1 A 119 119 ALA C C 97 175.820 175.410 0.410 1
1 1113 . 2 1 1 A 119 119 ALA CA C 97 51.100 50.499 0.601 1
1 1114 . 2 1 1 A 119 119 ALA CB C 97 22.150 22.893 -0.743 1
1 1115 . 2 1 1 A 119 119 ALA N N 97 126.580 126.440 0.140 1
1 1116 . 2 1 1 A 120 120 LYS H H 98 8.710 8.576 0.134 1
1 1117 . 2 1 1 A 120 120 LYS HA H 98 4.450 4.696 -0.246 1
1 1126 . 2 1 1 A 120 120 LYS C C 98 175.950 175.860 0.090 1
1 1127 . 2 1 1 A 120 120 LYS CA C 98 56.360 56.288 0.072 1
1 1128 . 2 1 1 A 120 120 LYS CB C 98 32.090 33.011 -0.921 1
1 1132 . 2 1 1 A 120 120 LYS N N 98 121.330 122.334 -1.004 1
1 1133 . 2 1 1 A 121 121 MET H H 99 8.130 8.743 -0.613 1
1 1138 . 2 1 1 A 121 121 MET N N 99 125.590 127.075 -1.485 1
1 1139 . 2 1 1 A 122 122 GLU HA H 100 3.890 3.951 -0.061 1
1 1144 . 2 1 1 A 122 122 GLU C C 100 176.450 176.013 0.437 1
1 1145 . 2 1 1 A 122 122 GLU CA C 100 59.740 59.087 0.653 1
1 1146 . 2 1 1 A 122 122 GLU CB C 100 29.200 29.351 -0.151 1
1 1148 . 2 1 1 A 123 123 PHE H H 101 6.120 7.786 -1.666 1
1 1149 . 2 1 1 A 123 123 PHE HA H 101 4.430 4.953 -0.523 1
1 1152 . 2 1 1 A 123 123 PHE C C 101 173.950 175.843 -1.893 1
1 1153 . 2 1 1 A 123 123 PHE CA C 101 54.750 56.161 -1.411 1
1 1154 . 2 1 1 A 123 123 PHE CB C 101 38.630 39.113 -0.483 1
1 1155 . 2 1 1 A 123 123 PHE N N 101 108.900 115.416 -6.516 1
1 1156 . 2 1 1 A 124 124 GLY H H 102 6.670 8.877 -2.207 1
1 1157 . 2 1 1 A 124 124 GLY HA2 H 102 4.780 4.155 0.625 1
1 1158 . 2 1 1 A 124 124 GLY HA3 H 102 3.770 4.382 -0.612 1
1 1159 . 2 1 1 A 124 124 GLY C C 102 170.410 173.162 -2.752 1
1 1160 . 2 1 1 A 124 124 GLY CA C 102 44.570 45.214 -0.644 1
1 1161 . 2 1 1 A 124 124 GLY N N 102 108.900 114.615 -5.715 1
1 1162 . 2 1 1 A 125 125 TYR H H 103 8.210 8.694 -0.484 1
1 1163 . 2 1 1 A 125 125 TYR HA H 103 5.080 4.859 0.221 1
1 1170 . 2 1 1 A 125 125 TYR C C 103 175.980 174.369 1.611 1
1 1171 . 2 1 1 A 125 125 TYR CA C 103 56.530 56.786 -0.256 1
1 1172 . 2 1 1 A 125 125 TYR CB C 103 40.180 38.995 1.185 1
1 1175 . 2 1 1 A 125 125 TYR N N 103 123.360 121.229 2.131 1
1 1176 . 2 1 1 A 126 126 THR H H 104 8.450 8.839 -0.389 1
1 1177 . 2 1 1 A 126 126 THR HA H 104 5.630 5.268 0.362 1
1 1182 . 2 1 1 A 126 126 THR C C 104 170.010 172.772 -2.762 1
1 1183 . 2 1 1 A 126 126 THR CA C 104 58.490 60.268 -1.778 1
1 1184 . 2 1 1 A 126 126 THR CB C 104 72.110 71.653 0.457 1
1 1186 . 2 1 1 A 126 126 THR N N 104 120.720 122.288 -1.568 1
1 1187 . 2 1 1 A 127 127 PHE H H 105 8.170 9.036 -0.866 1
1 1188 . 2 1 1 A 127 127 PHE HA H 105 4.620 5.762 -1.142 1
1 1195 . 2 1 1 A 127 127 PHE C C 105 172.490 173.453 -0.963 1
1 1196 . 2 1 1 A 127 127 PHE CA C 105 56.610 56.515 0.095 1
1 1197 . 2 1 1 A 127 127 PHE CB C 105 41.710 42.527 -0.817 1
1 1200 . 2 1 1 A 127 127 PHE N N 105 120.530 128.403 -7.873 1
1 1201 . 2 1 1 A 128 128 THR H H 106 8.450 8.671 -0.221 1
1 1202 . 2 1 1 A 128 128 THR HA H 106 5.090 4.711 0.379 1
1 1207 . 2 1 1 A 128 128 THR C C 106 172.750 173.593 -0.843 1
1 1208 . 2 1 1 A 128 128 THR CA C 106 63.340 61.070 2.270 1
1 1209 . 2 1 1 A 128 128 THR CB C 106 70.420 70.644 -0.224 1
1 1211 . 2 1 1 A 128 128 THR N N 106 114.010 121.733 -7.723 1
1 1212 . 2 1 1 A 129 129 ALA H H 107 10.030 9.017 1.013 1
1 1213 . 2 1 1 A 129 129 ALA HA H 107 5.540 5.185 0.355 1
1 1217 . 2 1 1 A 129 129 ALA C C 107 179.620 175.770 3.850 1
1 1218 . 2 1 1 A 129 129 ALA CA C 107 50.640 50.383 0.257 1
1 1219 . 2 1 1 A 129 129 ALA CB C 107 24.570 22.448 2.122 1
1 1220 . 2 1 1 A 129 129 ALA N N 107 135.110 129.724 5.386 1
1 1221 . 2 1 1 A 130 130 ALA H H 108 8.650 8.796 -0.146 1
1 1222 . 2 1 1 A 130 130 ALA HA H 108 5.380 5.422 -0.042 1
1 1226 . 2 1 1 A 130 130 ALA C C 108 175.480 176.241 -0.761 1
1 1227 . 2 1 1 A 130 130 ALA CA C 108 50.100 50.575 -0.475 1
1 1228 . 2 1 1 A 130 130 ALA CB C 108 22.770 21.949 0.821 1
1 1229 . 2 1 1 A 130 130 ALA N N 108 121.150 120.913 0.237 1
1 1230 . 2 1 1 A 131 131 ASP H H 109 8.770 8.836 -0.066 1
1 1231 . 2 1 1 A 131 131 ASP HA H 109 3.910 4.564 -0.654 1
1 1234 . 2 1 1 A 131 131 ASP CA C 109 51.290 52.391 -1.101 1
1 1235 . 2 1 1 A 131 131 ASP CB C 109 41.350 40.674 0.676 1
1 1236 . 2 1 1 A 131 131 ASP N N 109 123.100 124.332 -1.232 1
1 1237 . 2 1 1 A 132 132 PRO HA H 110 4.140 4.152 -0.012 1
1 1242 . 2 1 1 A 132 132 PRO C C 110 176.890 177.079 -0.189 1
1 1243 . 2 1 1 A 132 132 PRO CA C 110 65.730 65.054 0.676 1
1 1244 . 2 1 1 A 132 132 PRO CB C 110 31.850 31.600 0.250 1
1 1246 . 2 1 1 A 133 133 ASP H H 111 8.740 7.080 1.660 1
1 1247 . 2 1 1 A 133 133 ASP HA H 111 4.800 4.601 0.199 1
1 1250 . 2 1 1 A 133 133 ASP C C 111 173.720 175.018 -1.298 1
1 1251 . 2 1 1 A 133 133 ASP CA C 111 54.140 53.396 0.744 1
1 1252 . 2 1 1 A 133 133 ASP CB C 111 42.910 40.824 2.086 1
1 1253 . 2 1 1 A 133 133 ASP N N 111 118.220 115.791 2.429 1
1 1254 . 2 1 1 A 134 134 SER H H 112 8.370 7.925 0.445 1
1 1255 . 2 1 1 A 134 134 SER HA H 112 3.710 3.981 -0.271 1
1 1258 . 2 1 1 A 134 134 SER CA C 112 60.670 59.476 1.194 1
1 1259 . 2 1 1 A 134 134 SER CB C 112 61.430 60.816 0.614 1
1 1260 . 2 1 1 A 134 134 SER N N 112 109.220 111.289 -2.069 1
1 1261 . 2 1 1 A 135 135 HIS H H 113 8.850 7.134 1.716 1
1 1268 . 2 1 1 A 135 135 HIS N N 113 122.820 119.078 3.742 1
1 1269 . 2 1 1 A 136 136 ARG HA H 114 4.680 4.995 -0.315 1
1 1270 . 2 1 1 A 136 136 ARG C C 114 175.220 175.337 -0.117 1
1 1271 . 2 1 1 A 136 136 ARG CA C 114 57.560 54.980 2.580 1
1 1272 . 2 1 1 A 137 137 LEU H H 115 8.680 9.230 -0.550 1
1 1273 . 2 1 1 A 137 137 LEU HA H 115 5.490 5.145 0.345 1
1 1282 . 2 1 1 A 137 137 LEU C C 115 174.620 174.882 -0.262 1
1 1283 . 2 1 1 A 137 137 LEU CA C 115 52.580 54.287 -1.707 1
1 1284 . 2 1 1 A 137 137 LEU CB C 115 43.070 42.115 0.955 1
1 1287 . 2 1 1 A 137 137 LEU N N 115 123.990 126.953 -2.963 1
1 1288 . 2 1 1 A 138 138 ARG H H 116 9.510 9.366 0.144 1
1 1289 . 2 1 1 A 138 138 ARG HA H 116 5.120 5.109 0.011 1
1 1292 . 2 1 1 A 138 138 ARG C C 116 175.090 174.610 0.480 1
1 1293 . 2 1 1 A 138 138 ARG CA C 116 54.700 55.298 -0.598 1
1 1294 . 2 1 1 A 138 138 ARG CB C 116 33.480 31.492 1.988 1
1 1295 . 2 1 1 A 138 138 ARG N N 116 125.370 126.084 -0.714 1
1 1296 . 2 1 1 A 139 139 VAL H H 117 7.970 8.435 -0.465 1
1 1297 . 2 1 1 A 139 139 VAL HA H 117 5.280 4.994 0.286 1
1 1305 . 2 1 1 A 139 139 VAL C C 117 176.390 175.436 0.954 1
1 1306 . 2 1 1 A 139 139 VAL CA C 117 60.090 62.091 -2.001 1
1 1307 . 2 1 1 A 139 139 VAL CB C 117 32.690 31.586 1.104 1
1 1310 . 2 1 1 A 139 139 VAL N N 117 128.260 127.235 1.025 1
1 1311 . 2 1 1 A 140 140 TYR H H 118 9.200 9.187 0.013 1
1 1312 . 2 1 1 A 140 140 TYR HA H 118 5.800 5.877 -0.077 1
1 1319 . 2 1 1 A 140 140 TYR C C 118 170.820 173.510 -2.690 1
1 1320 . 2 1 1 A 140 140 TYR CA C 118 56.060 55.337 0.723 1
1 1321 . 2 1 1 A 140 140 TYR CB C 118 42.460 41.299 1.161 1
1 1324 . 2 1 1 A 140 140 TYR N N 118 127.020 124.721 2.299 1
1 1325 . 2 1 1 A 141 141 ALA H H 119 8.330 9.138 -0.808 1
1 1326 . 2 1 1 A 141 141 ALA HA H 119 4.560 5.019 -0.459 1
1 1330 . 2 1 1 A 141 141 ALA C C 119 177.150 175.829 1.321 1
1 1331 . 2 1 1 A 141 141 ALA CA C 119 50.530 50.651 -0.121 1
1 1332 . 2 1 1 A 141 141 ALA CB C 119 21.220 20.953 0.267 1
1 1333 . 2 1 1 A 141 141 ALA N N 119 121.160 122.187 -1.027 1
1 1334 . 2 1 1 A 142 142 PHE H H 120 8.780 9.079 -0.299 1
1 1335 . 2 1 1 A 142 142 PHE HA H 120 4.910 4.912 -0.002 1
1 1340 . 2 1 1 A 142 142 PHE C C 120 175.090 174.148 0.942 1
1 1341 . 2 1 1 A 142 142 PHE CA C 120 57.720 57.308 0.412 1
1 1342 . 2 1 1 A 142 142 PHE CB C 120 40.810 39.580 1.230 1
1 1344 . 2 1 1 A 142 142 PHE N N 120 122.630 126.688 -4.058 1
1 1345 . 2 1 1 A 143 143 ALA H H 121 8.190 8.394 -0.204 1
1 1346 . 2 1 1 A 143 143 ALA HA H 121 4.330 4.375 -0.045 1
1 1350 . 2 1 1 A 143 143 ALA C C 121 176.260 177.250 -0.990 1
1 1351 . 2 1 1 A 143 143 ALA CA C 121 52.280 52.222 0.058 1
1 1352 . 2 1 1 A 143 143 ALA CB C 121 19.310 18.365 0.945 1
1 1353 . 2 1 1 A 143 143 ALA N N 121 129.460 129.712 -0.252 1
1 16 . 3 1 1 A 24 24 THR H H 2 8.350 7.434 0.916 1
1 17 . 3 1 1 A 24 24 THR HA H 2 4.470 5.028 -0.558 1
1 22 . 3 1 1 A 24 24 THR CA C 2 61.890 61.557 0.333 1
1 23 . 3 1 1 A 24 24 THR CB C 2 69.630 72.957 -3.327 1
1 25 . 3 1 1 A 24 24 THR N N 2 117.720 113.088 4.632 1
1 26 . 3 1 1 A 25 25 HIS H H 3 8.630 8.914 -0.284 1
1 27 . 3 1 1 A 25 25 HIS HA H 3 5.200 5.017 0.183 1
1 30 . 3 1 1 A 25 25 HIS CA C 3 51.620 53.221 -1.601 1
1 31 . 3 1 1 A 25 25 HIS CB C 3 33.320 31.657 1.663 1
1 32 . 3 1 1 A 25 25 HIS N N 3 124.890 123.680 1.210 1
1 33 . 3 1 1 A 26 26 PRO HA H 4 4.170 4.537 -0.367 1
1 40 . 3 1 1 A 26 26 PRO C C 4 175.740 176.426 -0.686 1
1 41 . 3 1 1 A 26 26 PRO CA C 4 62.740 62.792 -0.052 1
1 42 . 3 1 1 A 26 26 PRO CB C 4 31.460 29.661 1.799 1
1 45 . 3 1 1 A 27 27 ASP H H 5 8.270 8.153 0.117 1
1 46 . 3 1 1 A 27 27 ASP HA H 5 4.810 4.793 0.017 1
1 49 . 3 1 1 A 27 27 ASP C C 5 175.400 175.938 -0.538 1
1 50 . 3 1 1 A 27 27 ASP CA C 5 53.310 54.757 -1.447 1
1 51 . 3 1 1 A 27 27 ASP CB C 5 42.390 40.649 1.741 1
1 52 . 3 1 1 A 27 27 ASP N N 5 119.440 121.841 -2.401 1
1 53 . 3 1 1 A 28 28 PHE H H 6 7.280 7.905 -0.625 1
1 54 . 3 1 1 A 28 28 PHE HA H 6 5.440 5.232 0.208 1
1 61 . 3 1 1 A 28 28 PHE C C 6 174.180 173.426 0.754 1
1 62 . 3 1 1 A 28 28 PHE CA C 6 54.590 55.747 -1.157 1
1 63 . 3 1 1 A 28 28 PHE CB C 6 42.310 42.029 0.281 1
1 66 . 3 1 1 A 28 28 PHE N N 6 118.410 119.964 -1.554 1
1 67 . 3 1 1 A 29 29 THR H H 7 8.500 9.325 -0.825 1
1 68 . 3 1 1 A 29 29 THR HA H 7 4.800 5.238 -0.438 1
1 73 . 3 1 1 A 29 29 THR C C 7 172.280 172.974 -0.694 1
1 74 . 3 1 1 A 29 29 THR CA C 7 62.550 59.850 2.700 1
1 75 . 3 1 1 A 29 29 THR CB C 7 70.420 71.839 -1.419 1
1 77 . 3 1 1 A 29 29 THR N N 7 123.070 121.911 1.159 1
1 78 . 3 1 1 A 30 30 ILE H H 8 9.270 9.109 0.161 1
1 79 . 3 1 1 A 30 30 ILE HA H 8 4.680 5.008 -0.328 1
1 89 . 3 1 1 A 30 30 ILE C C 8 173.970 174.455 -0.485 1
1 90 . 3 1 1 A 30 30 ILE CA C 8 59.220 59.785 -0.565 1
1 91 . 3 1 1 A 30 30 ILE CB C 8 40.210 41.629 -1.419 1
1 95 . 3 1 1 A 30 30 ILE N N 8 126.920 127.226 -0.306 1
1 96 . 3 1 1 A 31 31 LEU H H 9 8.760 8.667 0.093 1
1 97 . 3 1 1 A 31 31 LEU HA H 9 4.330 4.934 -0.604 1
1 107 . 3 1 1 A 31 31 LEU C C 9 176.520 175.218 1.302 1
1 108 . 3 1 1 A 31 31 LEU CA C 9 52.960 53.928 -0.968 1
1 109 . 3 1 1 A 31 31 LEU CB C 9 41.820 43.073 -1.253 1
1 113 . 3 1 1 A 31 31 LEU N N 9 126.000 127.105 -1.105 1
1 114 . 3 1 1 A 32 32 TYR H H 10 8.190 8.943 -0.753 1
1 115 . 3 1 1 A 32 32 TYR HA H 10 5.980 4.823 1.157 1
1 118 . 3 1 1 A 32 32 TYR C C 10 177.720 174.676 3.044 1
1 119 . 3 1 1 A 32 32 TYR CA C 10 53.120 56.488 -3.368 1
1 120 . 3 1 1 A 32 32 TYR CB C 10 36.560 38.915 -2.355 1
1 121 . 3 1 1 A 32 32 TYR N N 10 122.130 125.736 -3.606 1
1 122 . 3 1 1 A 33 33 VAL H H 11 8.470 8.393 0.077 1
1 123 . 3 1 1 A 33 33 VAL HA H 11 4.990 5.123 -0.133 1
1 131 . 3 1 1 A 33 33 VAL C C 11 176.030 175.446 0.584 1
1 132 . 3 1 1 A 33 33 VAL CA C 11 58.240 59.252 -1.012 1
1 133 . 3 1 1 A 33 33 VAL CB C 11 35.090 34.805 0.285 1
1 136 . 3 1 1 A 33 33 VAL N N 11 113.820 122.772 -8.952 1
1 137 . 3 1 1 A 34 34 ASP H H 12 9.750 8.857 0.893 1
1 138 . 3 1 1 A 34 34 ASP HA H 12 4.550 4.644 -0.094 1
1 141 . 3 1 1 A 34 34 ASP C C 12 177.230 175.417 1.813 1
1 142 . 3 1 1 A 34 34 ASP CA C 12 58.000 55.772 2.228 1
1 143 . 3 1 1 A 34 34 ASP CB C 12 42.780 41.641 1.139 1
1 144 . 3 1 1 A 34 34 ASP N N 12 124.140 121.534 2.606 1
1 145 . 3 1 1 A 35 35 ASN H H 13 9.250 7.765 1.485 1
1 146 . 3 1 1 A 35 35 ASN HA H 13 5.120 5.014 0.106 1
1 151 . 3 1 1 A 35 35 ASN CA C 13 50.610 49.984 0.626 1
1 152 . 3 1 1 A 35 35 ASN CB C 13 39.920 39.479 0.441 1
1 153 . 3 1 1 A 35 35 ASN N N 13 114.460 117.290 -2.830 1
1 155 . 3 1 1 A 37 37 PRO HA H 15 4.350 4.283 0.067 1
1 162 . 3 1 1 A 37 37 PRO C C 15 179.310 179.471 -0.161 1
1 163 . 3 1 1 A 37 37 PRO CA C 15 67.480 66.655 0.825 1
1 164 . 3 1 1 A 37 37 PRO CB C 15 31.340 30.822 0.518 1
1 167 . 3 1 1 A 38 38 ALA H H 16 7.740 8.299 -0.559 1
1 168 . 3 1 1 A 38 38 ALA HA H 16 4.310 4.118 0.192 1
1 172 . 3 1 1 A 38 38 ALA C C 16 182.490 180.047 2.443 1
1 173 . 3 1 1 A 38 38 ALA CA C 16 55.160 55.315 -0.155 1
1 174 . 3 1 1 A 38 38 ALA CB C 16 18.360 18.312 0.048 1
1 175 . 3 1 1 A 38 38 ALA N N 16 121.510 119.298 2.212 1
1 176 . 3 1 1 A 39 39 SER H H 17 8.770 7.770 1.000 1
1 177 . 3 1 1 A 39 39 SER HA H 17 4.190 4.407 -0.217 1
1 180 . 3 1 1 A 39 39 SER C C 17 175.610 177.851 -2.241 1
1 181 . 3 1 1 A 39 39 SER CA C 17 64.260 61.727 2.533 1
1 182 . 3 1 1 A 39 39 SER CB C 17 62.790 63.292 -0.502 1
1 183 . 3 1 1 A 39 39 SER N N 17 117.520 113.605 3.915 1
1 184 . 3 1 1 A 40 40 THR H H 18 9.310 8.275 1.035 1
1 185 . 3 1 1 A 40 40 THR HA H 18 4.480 4.317 0.163 1
1 190 . 3 1 1 A 40 40 THR C C 18 175.590 177.105 -1.515 1
1 191 . 3 1 1 A 40 40 THR CA C 18 68.130 67.031 1.099 1
1 192 . 3 1 1 A 40 40 THR CB C 18 68.480 68.284 0.196 1
1 194 . 3 1 1 A 40 40 THR N N 18 120.600 117.839 2.761 1
1 195 . 3 1 1 A 41 41 GLN H H 19 7.610 8.056 -0.446 1
1 196 . 3 1 1 A 41 41 GLN HA H 19 4.080 4.135 -0.055 1
1 203 . 3 1 1 A 41 41 GLN C C 19 178.110 178.317 -0.207 1
1 204 . 3 1 1 A 41 41 GLN CA C 19 59.170 59.241 -0.071 1
1 205 . 3 1 1 A 41 41 GLN CB C 19 28.170 28.487 -0.317 1
1 207 . 3 1 1 A 41 41 GLN N N 19 120.130 120.519 -0.389 1
1 209 . 3 1 1 A 42 42 PHE H H 20 7.710 7.944 -0.234 1
1 210 . 3 1 1 A 42 42 PHE HA H 20 4.080 4.224 -0.144 1
1 218 . 3 1 1 A 42 42 PHE C C 20 177.460 177.122 0.338 1
1 219 . 3 1 1 A 42 42 PHE CA C 20 61.760 61.421 0.339 1
1 220 . 3 1 1 A 42 42 PHE CB C 20 38.590 38.907 -0.317 1
1 224 . 3 1 1 A 42 42 PHE N N 20 120.560 122.399 -1.839 1
1 225 . 3 1 1 A 43 43 TYR H H 21 8.890 8.364 0.526 1
1 226 . 3 1 1 A 43 43 TYR HA H 21 3.700 4.166 -0.466 1
1 233 . 3 1 1 A 43 43 TYR C C 21 177.640 178.234 -0.594 1
1 234 . 3 1 1 A 43 43 TYR CA C 21 64.290 61.628 2.662 1
1 235 . 3 1 1 A 43 43 TYR CB C 21 38.110 37.672 0.438 1
1 238 . 3 1 1 A 43 43 TYR N N 21 118.420 118.214 0.206 1
1 239 . 3 1 1 A 44 44 LYS H H 22 8.860 8.116 0.744 1
1 240 . 3 1 1 A 44 44 LYS HA H 22 4.630 3.985 0.645 1
1 249 . 3 1 1 A 44 44 LYS C C 22 179.780 179.053 0.727 1
1 250 . 3 1 1 A 44 44 LYS CA C 22 59.630 59.638 -0.008 1
1 251 . 3 1 1 A 44 44 LYS CB C 22 33.210 32.486 0.724 1
1 255 . 3 1 1 A 44 44 LYS N N 22 122.200 120.261 1.939 1
1 256 . 3 1 1 A 45 45 ALA H H 23 7.180 7.347 -0.167 1
1 257 . 3 1 1 A 45 45 ALA HA H 23 4.040 3.965 0.075 1
1 261 . 3 1 1 A 45 45 ALA C C 23 179.130 180.096 -0.966 1
1 262 . 3 1 1 A 45 45 ALA CA C 23 54.350 54.762 -0.412 1
1 263 . 3 1 1 A 45 45 ALA CB C 23 18.030 17.965 0.065 1
1 264 . 3 1 1 A 45 45 ALA N N 23 120.710 121.740 -1.030 1
1 265 . 3 1 1 A 46 46 LEU H H 24 7.510 7.650 -0.140 1
1 266 . 3 1 1 A 46 46 LEU HA H 24 3.550 3.906 -0.356 1
1 276 . 3 1 1 A 46 46 LEU C C 24 178.680 178.509 0.171 1
1 277 . 3 1 1 A 46 46 LEU CA C 24 57.910 57.628 0.282 1
1 278 . 3 1 1 A 46 46 LEU CB C 24 43.950 41.220 2.730 1
1 282 . 3 1 1 A 46 46 LEU N N 24 118.650 119.562 -0.912 1
1 283 . 3 1 1 A 47 47 LEU H H 25 8.800 7.702 1.098 1
1 284 . 3 1 1 A 47 47 LEU HA H 25 4.480 4.471 0.009 1
1 294 . 3 1 1 A 47 47 LEU C C 25 178.960 177.428 1.532 1
1 295 . 3 1 1 A 47 47 LEU CA C 25 55.010 55.406 -0.396 1
1 296 . 3 1 1 A 47 47 LEU CB C 25 42.500 42.940 -0.440 1
1 300 . 3 1 1 A 47 47 LEU N N 25 112.540 117.274 -4.734 1
1 301 . 3 1 1 A 48 48 GLY H H 26 7.810 7.984 -0.174 1
1 302 . 3 1 1 A 48 48 GLY HA2 H 26 4.030 3.857 0.173 1
1 303 . 3 1 1 A 48 48 GLY HA3 H 26 3.900 3.874 0.026 1
1 304 . 3 1 1 A 48 48 GLY C C 26 173.560 173.914 -0.354 1
1 305 . 3 1 1 A 48 48 GLY CA C 26 46.810 46.091 0.719 1
1 306 . 3 1 1 A 48 48 GLY N N 26 107.650 107.102 0.548 1
1 307 . 3 1 1 A 49 49 VAL H H 27 7.100 7.034 0.066 1
1 308 . 3 1 1 A 49 49 VAL HA H 27 4.700 4.737 -0.037 1
1 316 . 3 1 1 A 49 49 VAL C C 27 172.980 173.709 -0.729 1
1 317 . 3 1 1 A 49 49 VAL CA C 27 58.680 58.922 -0.242 1
1 318 . 3 1 1 A 49 49 VAL CB C 27 36.090 35.939 0.151 1
1 321 . 3 1 1 A 49 49 VAL N N 27 110.770 115.124 -4.354 1
1 322 . 3 1 1 A 50 50 ASP H H 28 8.100 8.845 -0.745 1
1 323 . 3 1 1 A 50 50 ASP HA H 28 4.930 5.148 -0.218 1
1 326 . 3 1 1 A 50 50 ASP CA C 28 52.550 51.496 1.054 1
1 327 . 3 1 1 A 50 50 ASP CB C 28 40.520 44.042 -3.522 1
1 328 . 3 1 1 A 50 50 ASP N N 28 119.760 118.733 1.027 1
1 329 . 3 1 1 A 51 51 PRO HA H 29 3.700 4.824 -1.124 1
1 336 . 3 1 1 A 51 51 PRO C C 29 176.580 177.911 -1.331 1
1 337 . 3 1 1 A 51 51 PRO CA C 29 62.900 63.019 -0.119 1
1 338 . 3 1 1 A 51 51 PRO CB C 29 30.550 31.724 -1.174 1
1 341 . 3 1 1 A 52 52 VAL H H 30 8.340 8.724 -0.384 1
1 342 . 3 1 1 A 52 52 VAL HA H 30 4.080 4.027 0.053 1
1 350 . 3 1 1 A 52 52 VAL C C 30 176.190 175.565 0.625 1
1 351 . 3 1 1 A 52 52 VAL CA C 30 62.790 63.933 -1.143 1
1 352 . 3 1 1 A 52 52 VAL CB C 30 32.280 32.377 -0.097 1
1 355 . 3 1 1 A 52 52 VAL N N 30 117.320 124.933 -7.613 1
1 356 . 3 1 1 A 53 53 GLU H H 31 7.170 7.839 -0.669 1
1 357 . 3 1 1 A 53 53 GLU HA H 31 4.580 4.922 -0.342 1
1 362 . 3 1 1 A 53 53 GLU C C 31 174.940 175.244 -0.304 1
1 363 . 3 1 1 A 53 53 GLU CA C 31 55.330 55.040 0.290 1
1 364 . 3 1 1 A 53 53 GLU CB C 31 33.370 31.613 1.757 1
1 366 . 3 1 1 A 53 53 GLU N N 31 118.180 119.990 -1.810 1
1 367 . 3 1 1 A 54 54 SER H H 32 8.650 8.951 -0.301 1
1 368 . 3 1 1 A 54 54 SER HA H 32 5.130 5.536 -0.406 1
1 371 . 3 1 1 A 54 54 SER C C 32 171.990 173.048 -1.058 1
1 372 . 3 1 1 A 54 54 SER CA C 32 57.940 56.414 1.526 1
1 373 . 3 1 1 A 54 54 SER CB C 32 64.720 65.511 -0.791 1
1 374 . 3 1 1 A 54 54 SER N N 32 117.210 119.687 -2.477 1
1 375 . 3 1 1 A 55 55 SER H H 33 8.760 8.679 0.081 1
1 376 . 3 1 1 A 55 55 SER N N 33 124.420 118.334 6.086 1
1 377 . 3 1 1 A 56 56 PRO HA H 34 4.320 4.522 -0.202 1
1 382 . 3 1 1 A 56 56 PRO C C 34 177.290 177.204 0.086 1
1 383 . 3 1 1 A 56 56 PRO CA C 34 65.750 64.383 1.367 1
1 384 . 3 1 1 A 56 56 PRO CB C 34 32.490 31.983 0.507 1
1 386 . 3 1 1 A 57 57 THR H H 35 7.810 7.879 -0.069 1
1 387 . 3 1 1 A 57 57 THR HA H 35 4.630 4.805 -0.175 1
1 392 . 3 1 1 A 57 57 THR C C 35 174.080 174.011 0.069 1
1 393 . 3 1 1 A 57 57 THR CA C 35 61.860 61.652 0.208 1
1 394 . 3 1 1 A 57 57 THR CB C 35 70.940 71.226 -0.286 1
1 396 . 3 1 1 A 57 57 THR N N 35 101.710 110.921 -9.211 1
1 397 . 3 1 1 A 58 58 PHE H H 36 7.670 7.684 -0.014 1
1 398 . 3 1 1 A 58 58 PHE HA H 36 5.780 4.922 0.858 1
1 405 . 3 1 1 A 58 58 PHE CA C 36 57.820 58.256 -0.436 1
1 406 . 3 1 1 A 58 58 PHE CB C 36 43.010 42.516 0.494 1
1 409 . 3 1 1 A 58 58 PHE N N 36 124.370 120.323 4.047 1
1 410 . 3 1 1 A 59 59 SER H H 37 8.070 7.767 0.303 1
1 411 . 3 1 1 A 59 59 SER HA H 37 4.890 4.998 -0.108 1
1 414 . 3 1 1 A 59 59 SER C C 37 170.010 172.748 -2.738 1
1 415 . 3 1 1 A 59 59 SER CA C 37 56.660 56.869 -0.209 1
1 416 . 3 1 1 A 59 59 SER CB C 37 67.490 65.955 1.535 1
1 417 . 3 1 1 A 59 59 SER N N 37 122.930 119.657 3.273 1
1 418 . 3 1 1 A 60 60 LEU H H 38 8.140 8.226 -0.086 1
1 419 . 3 1 1 A 60 60 LEU HA H 38 4.810 4.387 0.423 1
1 429 . 3 1 1 A 60 60 LEU C C 38 174.000 174.384 -0.384 1
1 430 . 3 1 1 A 60 60 LEU CA C 38 53.750 54.423 -0.673 1
1 431 . 3 1 1 A 60 60 LEU CB C 38 47.250 45.580 1.670 1
1 435 . 3 1 1 A 60 60 LEU N N 38 122.030 122.603 -0.573 1
1 436 . 3 1 1 A 61 61 PHE H H 39 9.460 8.117 1.343 1
1 437 . 3 1 1 A 61 61 PHE HA H 39 4.580 5.632 -1.052 1
1 444 . 3 1 1 A 61 61 PHE C C 39 174.390 173.041 1.349 1
1 445 . 3 1 1 A 61 61 PHE CA C 39 57.180 55.135 2.045 1
1 446 . 3 1 1 A 61 61 PHE CB C 39 41.570 42.973 -1.403 1
1 449 . 3 1 1 A 61 61 PHE N N 39 124.820 121.666 3.154 1
1 450 . 3 1 1 A 62 62 VAL H H 40 8.640 8.932 -0.292 1
1 451 . 3 1 1 A 62 62 VAL HA H 40 4.260 4.784 -0.524 1
1 459 . 3 1 1 A 62 62 VAL C C 40 175.380 175.199 0.181 1
1 460 . 3 1 1 A 62 62 VAL CA C 40 62.520 60.587 1.933 1
1 461 . 3 1 1 A 62 62 VAL CB C 40 32.470 34.498 -2.028 1
1 464 . 3 1 1 A 62 62 VAL N N 40 122.650 120.833 1.817 1
1 465 . 3 1 1 A 63 63 LEU H H 41 8.710 8.491 0.219 1
1 466 . 3 1 1 A 63 63 LEU HA H 41 4.590 4.578 0.012 1
1 476 . 3 1 1 A 63 63 LEU CA C 41 53.560 53.994 -0.434 1
1 477 . 3 1 1 A 63 63 LEU CB C 41 41.600 42.195 -0.595 1
1 481 . 3 1 1 A 63 63 LEU N N 41 126.170 127.109 -0.939 1
1 482 . 3 1 1 A 64 64 ALA HA H 42 4.040 3.973 0.067 1
1 486 . 3 1 1 A 64 64 ALA CA C 42 55.050 55.343 -0.293 1
1 487 . 3 1 1 A 64 64 ALA CB C 42 18.580 18.129 0.451 1
1 488 . 3 1 1 A 65 65 ASN H H 43 7.680 7.904 -0.224 1
1 489 . 3 1 1 A 65 65 ASN HA H 43 4.520 4.742 -0.222 1
1 494 . 3 1 1 A 65 65 ASN C C 43 175.860 175.435 0.425 1
1 495 . 3 1 1 A 65 65 ASN CA C 43 52.530 53.420 -0.890 1
1 496 . 3 1 1 A 65 65 ASN CB C 43 37.800 38.931 -1.131 1
1 497 . 3 1 1 A 65 65 ASN N N 43 112.130 113.793 -1.663 1
1 499 . 3 1 1 A 66 66 GLY H H 44 8.070 7.675 0.395 1
1 500 . 3 1 1 A 66 66 GLY HA2 H 44 4.330 3.938 0.392 1
1 501 . 3 1 1 A 66 66 GLY HA3 H 44 3.480 3.941 -0.461 1
1 502 . 3 1 1 A 66 66 GLY C C 44 174.260 174.629 -0.369 1
1 503 . 3 1 1 A 66 66 GLY CA C 44 44.930 44.879 0.051 1
1 504 . 3 1 1 A 66 66 GLY N N 44 107.650 107.720 -0.070 1
1 505 . 3 1 1 A 67 67 MET H H 45 7.900 8.024 -0.124 1
1 506 . 3 1 1 A 67 67 MET HA H 45 4.420 4.515 -0.095 1
1 514 . 3 1 1 A 67 67 MET CA C 45 55.520 55.488 0.032 1
1 515 . 3 1 1 A 67 67 MET CB C 45 33.630 33.646 -0.016 1
1 518 . 3 1 1 A 67 67 MET N N 45 121.850 120.230 1.620 1
1 519 . 3 1 1 A 68 68 LYS HA H 46 5.040 4.984 0.056 1
1 528 . 3 1 1 A 68 68 LYS C C 46 174.600 173.938 0.662 1
1 529 . 3 1 1 A 68 68 LYS CA C 46 55.410 54.613 0.797 1
1 530 . 3 1 1 A 68 68 LYS CB C 46 34.460 35.905 -1.445 1
1 534 . 3 1 1 A 69 69 LEU H H 47 8.830 8.608 0.222 1
1 535 . 3 1 1 A 69 69 LEU HA H 47 5.450 5.532 -0.082 1
1 545 . 3 1 1 A 69 69 LEU C C 47 174.880 175.113 -0.233 1
1 546 . 3 1 1 A 69 69 LEU CA C 47 52.980 53.609 -0.629 1
1 547 . 3 1 1 A 69 69 LEU CB C 47 46.560 45.353 1.207 1
1 551 . 3 1 1 A 69 69 LEU N N 47 124.960 126.620 -1.660 1
1 552 . 3 1 1 A 70 70 GLY H H 48 9.580 9.385 0.195 1
1 553 . 3 1 1 A 70 70 GLY HA2 H 48 5.220 3.864 1.356 1
1 554 . 3 1 1 A 70 70 GLY HA3 H 48 3.090 4.237 -1.147 1
1 555 . 3 1 1 A 70 70 GLY C C 48 170.590 171.740 -1.150 1
1 556 . 3 1 1 A 70 70 GLY CA C 48 43.370 43.974 -0.604 1
1 557 . 3 1 1 A 70 70 GLY N N 48 113.940 114.104 -0.164 1
1 558 . 3 1 1 A 71 71 LEU H H 49 8.250 8.062 0.188 1
1 559 . 3 1 1 A 71 71 LEU HA H 49 5.150 4.846 0.304 1
1 569 . 3 1 1 A 71 71 LEU C C 49 173.920 174.502 -0.582 1
1 570 . 3 1 1 A 71 71 LEU CA C 49 52.770 53.523 -0.753 1
1 571 . 3 1 1 A 71 71 LEU CB C 49 43.100 43.959 -0.859 1
1 575 . 3 1 1 A 71 71 LEU N N 49 122.270 120.964 1.306 1
1 576 . 3 1 1 A 72 72 TRP H H 50 8.960 9.002 -0.042 1
1 577 . 3 1 1 A 72 72 TRP HA H 50 5.860 5.639 0.221 1
1 584 . 3 1 1 A 72 72 TRP C C 50 175.740 174.861 0.879 1
1 585 . 3 1 1 A 72 72 TRP CA C 50 53.170 55.457 -2.287 1
1 586 . 3 1 1 A 72 72 TRP CB C 50 34.990 32.240 2.750 1
1 590 . 3 1 1 A 72 72 TRP N N 50 125.010 128.294 -3.284 1
1 592 . 3 1 1 A 73 73 SER H H 51 9.010 8.451 0.559 1
1 593 . 3 1 1 A 73 73 SER HA H 51 4.570 4.845 -0.275 1
1 596 . 3 1 1 A 73 73 SER C C 51 176.240 176.015 0.225 1
1 597 . 3 1 1 A 73 73 SER CA C 51 58.490 57.686 0.804 1
1 598 . 3 1 1 A 73 73 SER CB C 51 63.770 63.832 -0.062 1
1 599 . 3 1 1 A 73 73 SER N N 51 120.380 124.101 -3.721 1
1 600 . 3 1 1 A 74 74 ARG H H 52 9.420 8.507 0.913 1
1 601 . 3 1 1 A 74 74 ARG HA H 52 3.460 3.762 -0.302 1
1 608 . 3 1 1 A 74 74 ARG C C 52 175.610 176.462 -0.852 1
1 609 . 3 1 1 A 74 74 ARG CA C 52 57.590 57.741 -0.151 1
1 610 . 3 1 1 A 74 74 ARG CB C 52 28.900 29.099 -0.199 1
1 613 . 3 1 1 A 74 74 ARG N N 52 128.770 125.995 2.775 1
1 614 . 3 1 1 A 75 75 HIS H H 53 7.910 7.874 0.036 1
1 615 . 3 1 1 A 75 75 HIS HA H 53 4.310 4.508 -0.198 1
1 619 . 3 1 1 A 75 75 HIS C C 53 176.610 175.718 0.892 1
1 620 . 3 1 1 A 75 75 HIS CA C 53 57.190 56.900 0.290 1
1 621 . 3 1 1 A 75 75 HIS CB C 53 31.260 29.880 1.380 1
1 623 . 3 1 1 A 75 75 HIS N N 53 117.320 117.171 0.149 1
1 624 . 3 1 1 A 76 76 THR H H 54 7.360 7.318 0.042 1
1 625 . 3 1 1 A 76 76 THR HA H 54 4.540 4.320 0.220 1
1 630 . 3 1 1 A 76 76 THR C C 54 175.120 174.138 0.982 1
1 631 . 3 1 1 A 76 76 THR CA C 54 61.840 61.247 0.593 1
1 632 . 3 1 1 A 76 76 THR CB C 54 69.680 69.430 0.250 1
1 634 . 3 1 1 A 76 76 THR N N 54 107.350 112.820 -5.470 1
1 635 . 3 1 1 A 77 77 VAL H H 55 6.630 7.214 -0.584 1
1 636 . 3 1 1 A 77 77 VAL HA H 55 2.700 3.179 -0.479 1
1 644 . 3 1 1 A 77 77 VAL C C 55 173.920 174.935 -1.015 1
1 645 . 3 1 1 A 77 77 VAL CA C 55 63.500 61.916 1.584 1
1 646 . 3 1 1 A 77 77 VAL CB C 55 31.270 32.027 -0.757 1
1 649 . 3 1 1 A 77 77 VAL N N 55 123.760 121.669 2.091 1
1 650 . 3 1 1 A 78 78 GLU H H 56 6.010 8.433 -2.423 1
1 651 . 3 1 1 A 78 78 GLU HA H 56 4.160 4.801 -0.641 1
1 656 . 3 1 1 A 78 78 GLU CA C 56 53.120 52.462 0.658 1
1 657 . 3 1 1 A 78 78 GLU CB C 56 32.240 31.170 1.070 1
1 659 . 3 1 1 A 78 78 GLU N N 56 124.820 127.934 -3.114 1
1 660 . 3 1 1 A 79 79 PRO HA H 57 4.620 4.624 -0.004 1
1 667 . 3 1 1 A 79 79 PRO C C 57 176.190 176.444 -0.254 1
1 668 . 3 1 1 A 79 79 PRO CA C 57 61.890 62.344 -0.454 1
1 669 . 3 1 1 A 79 79 PRO CB C 57 33.620 32.387 1.233 1
1 672 . 3 1 1 A 80 80 LYS H H 58 8.340 8.380 -0.040 1
1 673 . 3 1 1 A 80 80 LYS HA H 58 3.880 4.270 -0.390 1
1 682 . 3 1 1 A 80 80 LYS C C 58 177.100 175.606 1.494 1
1 683 . 3 1 1 A 80 80 LYS CA C 58 57.610 56.565 1.045 1
1 684 . 3 1 1 A 80 80 LYS CB C 58 32.400 32.676 -0.276 1
1 688 . 3 1 1 A 80 80 LYS N N 58 121.510 122.243 -0.733 1
1 689 . 3 1 1 A 81 81 ALA H H 59 8.430 8.712 -0.282 1
1 690 . 3 1 1 A 81 81 ALA HA H 59 4.870 5.239 -0.369 1
1 694 . 3 1 1 A 81 81 ALA C C 59 177.460 175.936 1.524 1
1 695 . 3 1 1 A 81 81 ALA CA C 59 51.020 50.317 0.703 1
1 696 . 3 1 1 A 81 81 ALA CB C 59 22.910 21.602 1.308 1
1 697 . 3 1 1 A 81 81 ALA N N 59 129.030 130.001 -0.971 1
1 698 . 3 1 1 A 82 82 SER H H 60 9.680 8.897 0.783 1
1 699 . 3 1 1 A 82 82 SER HA H 60 4.510 4.946 -0.436 1
1 702 . 3 1 1 A 82 82 SER C C 60 172.960 173.471 -0.511 1
1 703 . 3 1 1 A 82 82 SER CA C 60 58.350 57.313 1.037 1
1 704 . 3 1 1 A 82 82 SER CB C 60 65.150 62.786 2.364 1
1 705 . 3 1 1 A 82 82 SER N N 60 115.930 118.485 -2.555 1
1 706 . 3 1 1 A 83 83 VAL H H 61 7.450 8.701 -1.251 1
1 707 . 3 1 1 A 83 83 VAL HA H 61 4.260 4.950 -0.690 1
1 715 . 3 1 1 A 83 83 VAL CA C 61 60.940 59.929 1.011 1
1 716 . 3 1 1 A 83 83 VAL CB C 61 35.360 35.189 0.171 1
1 719 . 3 1 1 A 83 83 VAL N N 61 121.550 122.081 -0.531 1
1 720 . 3 1 1 A 84 84 THR H H 62 7.850 8.719 -0.869 1
1 721 . 3 1 1 A 84 84 THR HA H 62 4.750 5.005 -0.255 1
1 726 . 3 1 1 A 84 84 THR C C 62 174.040 173.235 0.805 1
1 727 . 3 1 1 A 84 84 THR CA C 62 59.370 60.735 -1.365 1
1 728 . 3 1 1 A 84 84 THR CB C 62 68.800 71.220 -2.420 1
1 730 . 3 1 1 A 84 84 THR N N 62 111.040 112.842 -1.802 1
1 731 . 3 1 1 A 85 85 GLY H H 63 7.950 8.355 -0.405 1
1 732 . 3 1 1 A 85 85 GLY HA2 H 63 3.480 4.059 -0.579 1
1 733 . 3 1 1 A 85 85 GLY HA3 H 63 2.950 4.061 -1.111 1
1 734 . 3 1 1 A 85 85 GLY C C 63 174.140 173.573 0.567 1
1 735 . 3 1 1 A 85 85 GLY CA C 63 45.490 45.457 0.033 1
1 736 . 3 1 1 A 85 85 GLY N N 63 109.700 108.626 1.074 1
1 737 . 3 1 1 A 86 86 GLY H H 64 8.530 7.602 0.928 1
1 738 . 3 1 1 A 86 86 GLY HA2 H 64 4.550 4.110 0.440 1
1 739 . 3 1 1 A 86 86 GLY HA3 H 64 3.700 4.127 -0.427 1
1 740 . 3 1 1 A 86 86 GLY C C 64 174.700 173.448 1.252 1
1 741 . 3 1 1 A 86 86 GLY CA C 64 45.600 45.724 -0.124 1
1 742 . 3 1 1 A 86 86 GLY N N 64 107.420 105.378 2.042 1
1 743 . 3 1 1 A 87 87 GLY H H 65 9.280 8.452 0.828 1
1 744 . 3 1 1 A 87 87 GLY HA2 H 65 4.860 3.991 0.869 1
1 745 . 3 1 1 A 87 87 GLY HA3 H 65 4.160 4.000 0.160 1
1 746 . 3 1 1 A 87 87 GLY C C 65 172.640 173.626 -0.986 1
1 747 . 3 1 1 A 87 87 GLY CA C 65 45.630 45.412 0.218 1
1 748 . 3 1 1 A 87 87 GLY N N 65 111.380 109.051 2.329 1
1 749 . 3 1 1 A 88 88 GLY H H 66 6.610 7.621 -1.011 1
1 750 . 3 1 1 A 88 88 GLY HA2 H 66 4.020 4.049 -0.029 1
1 751 . 3 1 1 A 88 88 GLY HA3 H 66 2.360 4.054 -1.694 1
1 752 . 3 1 1 A 88 88 GLY C C 66 172.250 171.850 0.400 1
1 753 . 3 1 1 A 88 88 GLY CA C 66 43.910 45.593 -1.683 1
1 754 . 3 1 1 A 88 88 GLY N N 66 105.700 106.609 -0.909 1
1 755 . 3 1 1 A 89 89 GLU H H 67 9.230 8.538 0.692 1
1 756 . 3 1 1 A 89 89 GLU HA H 67 5.100 5.084 0.016 1
1 761 . 3 1 1 A 89 89 GLU C C 67 175.770 174.898 0.872 1
1 762 . 3 1 1 A 89 89 GLU CA C 67 54.540 55.437 -0.897 1
1 763 . 3 1 1 A 89 89 GLU CB C 67 34.710 32.291 2.419 1
1 765 . 3 1 1 A 89 89 GLU N N 67 117.210 120.589 -3.379 1
1 766 . 3 1 1 A 90 90 LEU H H 68 8.470 8.960 -0.490 1
1 767 . 3 1 1 A 90 90 LEU HA H 68 5.050 5.137 -0.087 1
1 777 . 3 1 1 A 90 90 LEU C C 68 175.460 175.015 0.445 1
1 778 . 3 1 1 A 90 90 LEU CA C 68 54.160 53.887 0.273 1
1 779 . 3 1 1 A 90 90 LEU CB C 68 44.250 44.565 -0.315 1
1 783 . 3 1 1 A 90 90 LEU N N 68 120.420 125.277 -4.857 1
1 784 . 3 1 1 A 91 91 ALA H H 69 8.880 9.016 -0.136 1
1 785 . 3 1 1 A 91 91 ALA HA H 69 5.990 5.080 0.910 1
1 789 . 3 1 1 A 91 91 ALA C C 69 175.300 176.825 -1.525 1
1 790 . 3 1 1 A 91 91 ALA CA C 69 50.340 50.841 -0.501 1
1 791 . 3 1 1 A 91 91 ALA CB C 69 21.140 20.266 0.874 1
1 792 . 3 1 1 A 91 91 ALA N N 69 124.720 130.911 -6.191 1
1 793 . 3 1 1 A 92 92 PHE H H 70 10.090 9.668 0.422 1
1 794 . 3 1 1 A 92 92 PHE HA H 70 4.700 5.284 -0.584 1
1 802 . 3 1 1 A 92 92 PHE CA C 70 56.580 57.202 -0.622 1
1 803 . 3 1 1 A 92 92 PHE CB C 70 40.490 40.809 -0.319 1
1 807 . 3 1 1 A 92 92 PHE N N 70 122.920 123.481 -0.561 1
1 808 . 3 1 1 A 93 93 ARG H H 71 9.030 9.003 0.027 1
1 809 . 3 1 1 A 93 93 ARG HA H 71 4.460 4.699 -0.239 1
1 816 . 3 1 1 A 93 93 ARG C C 71 176.910 175.754 1.156 1
1 817 . 3 1 1 A 93 93 ARG CA C 71 55.080 55.477 -0.397 1
1 818 . 3 1 1 A 93 93 ARG CB C 71 31.950 31.914 0.036 1
1 821 . 3 1 1 A 93 93 ARG N N 71 125.390 123.869 1.521 1
1 822 . 3 1 1 A 94 94 VAL H H 72 8.470 8.712 -0.242 1
1 823 . 3 1 1 A 94 94 VAL HA H 72 4.820 4.747 0.073 1
1 831 . 3 1 1 A 94 94 VAL C C 72 176.320 175.797 0.523 1
1 832 . 3 1 1 A 94 94 VAL CA C 72 59.190 58.971 0.219 1
1 833 . 3 1 1 A 94 94 VAL CB C 72 32.550 34.704 -2.154 1
1 836 . 3 1 1 A 94 94 VAL N N 72 119.430 119.436 -0.006 1
1 837 . 3 1 1 A 95 95 GLU H H 73 8.160 8.894 -0.734 1
1 838 . 3 1 1 A 95 95 GLU HA H 73 3.940 4.199 -0.259 1
1 843 . 3 1 1 A 95 95 GLU C C 73 176.560 176.448 0.112 1
1 844 . 3 1 1 A 95 95 GLU CA C 73 59.620 58.136 1.484 1
1 845 . 3 1 1 A 95 95 GLU CB C 73 31.400 29.663 1.737 1
1 847 . 3 1 1 A 95 95 GLU N N 73 116.510 120.355 -3.845 1
1 848 . 3 1 1 A 96 96 ASN H H 74 7.240 7.773 -0.533 1
1 849 . 3 1 1 A 96 96 ASN HA H 74 4.780 4.963 -0.183 1
1 854 . 3 1 1 A 96 96 ASN C C 74 174.960 174.619 0.341 1
1 855 . 3 1 1 A 96 96 ASN CA C 74 51.570 52.559 -0.989 1
1 856 . 3 1 1 A 96 96 ASN CB C 74 40.130 39.398 0.732 1
1 857 . 3 1 1 A 96 96 ASN N N 74 108.930 114.121 -5.191 1
1 859 . 3 1 1 A 97 97 ASP H H 75 8.330 9.020 -0.690 1
1 860 . 3 1 1 A 97 97 ASP HA H 75 4.190 4.367 -0.177 1
1 863 . 3 1 1 A 97 97 ASP C C 75 177.800 178.374 -0.574 1
1 864 . 3 1 1 A 97 97 ASP CA C 75 57.780 56.753 1.027 1
1 865 . 3 1 1 A 97 97 ASP CB C 75 39.230 39.347 -0.117 1
1 866 . 3 1 1 A 97 97 ASP N N 75 120.390 118.282 2.108 1
1 867 . 3 1 1 A 98 98 ALA H H 76 8.090 8.105 -0.015 1
1 868 . 3 1 1 A 98 98 ALA HA H 76 4.210 3.981 0.229 1
1 872 . 3 1 1 A 98 98 ALA C C 76 181.130 180.173 0.957 1
1 873 . 3 1 1 A 98 98 ALA CA C 76 55.160 55.198 -0.038 1
1 874 . 3 1 1 A 98 98 ALA CB C 76 17.440 18.226 -0.786 1
1 875 . 3 1 1 A 98 98 ALA N N 76 122.660 122.121 0.539 1
1 876 . 3 1 1 A 99 99 GLN H H 77 8.110 7.718 0.392 1
1 877 . 3 1 1 A 99 99 GLN HA H 77 4.170 4.077 0.093 1
1 884 . 3 1 1 A 99 99 GLN C C 77 180.190 178.359 1.831 1
1 885 . 3 1 1 A 99 99 GLN CA C 77 58.680 58.449 0.231 1
1 886 . 3 1 1 A 99 99 GLN CB C 77 28.590 28.652 -0.062 1
1 888 . 3 1 1 A 99 99 GLN N N 77 116.870 118.078 -1.208 1
1 890 . 3 1 1 A 100 100 VAL H H 78 7.860 7.900 -0.040 1
1 891 . 3 1 1 A 100 100 VAL HA H 78 3.400 3.578 -0.178 1
1 899 . 3 1 1 A 100 100 VAL C C 78 177.510 177.948 -0.438 1
1 900 . 3 1 1 A 100 100 VAL CA C 78 67.800 66.419 1.381 1
1 901 . 3 1 1 A 100 100 VAL CB C 78 30.810 31.715 -0.905 1
1 904 . 3 1 1 A 100 100 VAL N N 78 125.200 120.956 4.244 1
1 905 . 3 1 1 A 101 101 ASP H H 79 7.810 7.842 -0.032 1
1 906 . 3 1 1 A 101 101 ASP HA H 79 4.420 4.210 0.210 1
1 909 . 3 1 1 A 101 101 ASP C C 79 175.010 178.582 -3.572 1
1 910 . 3 1 1 A 101 101 ASP CA C 79 58.490 57.298 1.192 1
1 911 . 3 1 1 A 101 101 ASP CB C 79 40.400 40.813 -0.413 1
1 912 . 3 1 1 A 101 101 ASP N N 79 119.560 120.438 -0.878 1
1 913 . 3 1 1 A 102 102 GLU H H 80 8.620 8.054 0.566 1
1 914 . 3 1 1 A 102 102 GLU HA H 80 4.080 4.051 0.029 1
1 919 . 3 1 1 A 102 102 GLU C C 80 179.540 179.456 0.084 1
1 920 . 3 1 1 A 102 102 GLU CA C 80 59.470 59.361 0.109 1
1 921 . 3 1 1 A 102 102 GLU CB C 80 30.210 29.465 0.745 1
1 923 . 3 1 1 A 102 102 GLU N N 80 121.400 118.909 2.491 1
1 924 . 3 1 1 A 103 103 THR H H 81 8.120 7.611 0.509 1
1 925 . 3 1 1 A 103 103 THR HA H 81 3.660 3.841 -0.181 1
1 930 . 3 1 1 A 103 103 THR C C 81 174.440 176.137 -1.697 1
1 931 . 3 1 1 A 103 103 THR CA C 81 66.990 65.979 1.011 1
1 932 . 3 1 1 A 103 103 THR CB C 81 68.070 68.201 -0.131 1
1 934 . 3 1 1 A 103 103 THR N N 81 118.770 118.053 0.717 1
1 935 . 3 1 1 A 104 104 PHE H H 82 8.340 7.942 0.398 1
1 936 . 3 1 1 A 104 104 PHE HA H 82 3.030 3.596 -0.566 1
1 943 . 3 1 1 A 104 104 PHE C C 82 176.050 176.784 -0.734 1
1 944 . 3 1 1 A 104 104 PHE CA C 82 61.480 61.720 -0.240 1
1 945 . 3 1 1 A 104 104 PHE CB C 82 38.550 38.762 -0.212 1
1 948 . 3 1 1 A 104 104 PHE N N 82 122.350 121.538 0.812 1
1 949 . 3 1 1 A 105 105 ALA H H 83 7.780 8.415 -0.635 1
1 950 . 3 1 1 A 105 105 ALA HA H 83 3.680 4.109 -0.429 1
1 954 . 3 1 1 A 105 105 ALA C C 83 181.410 179.970 1.440 1
1 955 . 3 1 1 A 105 105 ALA CA C 83 54.880 55.089 -0.209 1
1 956 . 3 1 1 A 105 105 ALA CB C 83 18.080 18.407 -0.327 1
1 957 . 3 1 1 A 105 105 ALA N N 83 118.740 121.063 -2.323 1
1 958 . 3 1 1 A 106 106 GLY H H 84 8.120 8.167 -0.047 1
1 959 . 3 1 1 A 106 106 GLY HA2 H 84 3.910 3.617 0.293 1
1 960 . 3 1 1 A 106 106 GLY HA3 H 84 3.810 3.635 0.175 1
1 961 . 3 1 1 A 106 106 GLY C C 84 176.780 177.093 -0.313 1
1 962 . 3 1 1 A 106 106 GLY CA C 84 46.910 47.034 -0.124 1
1 963 . 3 1 1 A 106 106 GLY N N 84 107.090 105.369 1.721 1
1 964 . 3 1 1 A 107 107 TRP H H 85 9.240 7.927 1.313 1
1 965 . 3 1 1 A 107 107 TRP HA H 85 4.440 4.536 -0.096 1
1 972 . 3 1 1 A 107 107 TRP C C 85 179.210 178.347 0.863 1
1 973 . 3 1 1 A 107 107 TRP CA C 85 59.190 60.846 -1.656 1
1 974 . 3 1 1 A 107 107 TRP CB C 85 28.450 28.481 -0.031 1
1 978 . 3 1 1 A 107 107 TRP N N 85 124.820 121.990 2.830 1
1 980 . 3 1 1 A 108 108 LYS H H 86 8.610 8.248 0.362 1
1 981 . 3 1 1 A 108 108 LYS HA H 86 3.920 3.934 -0.014 1
1 990 . 3 1 1 A 108 108 LYS C C 86 180.980 179.067 1.913 1
1 991 . 3 1 1 A 108 108 LYS CA C 86 60.040 59.361 0.679 1
1 992 . 3 1 1 A 108 108 LYS CB C 86 31.850 32.310 -0.460 1
1 996 . 3 1 1 A 108 108 LYS N N 86 121.490 120.416 1.074 1
1 997 . 3 1 1 A 109 109 ALA H H 87 7.890 7.804 0.086 1
1 998 . 3 1 1 A 109 109 ALA HA H 87 4.150 4.201 -0.051 1
1 1002 . 3 1 1 A 109 109 ALA C C 87 179.050 178.561 0.489 1
1 1003 . 3 1 1 A 109 109 ALA CA C 87 54.670 54.131 0.539 1
1 1004 . 3 1 1 A 109 109 ALA CB C 87 18.010 18.321 -0.311 1
1 1005 . 3 1 1 A 109 109 ALA N N 87 121.920 121.525 0.395 1
1 1006 . 3 1 1 A 110 110 SER H H 88 7.510 7.636 -0.126 1
1 1007 . 3 1 1 A 110 110 SER HA H 88 4.450 4.610 -0.160 1
1 1010 . 3 1 1 A 110 110 SER C C 88 174.140 174.517 -0.377 1
1 1011 . 3 1 1 A 110 110 SER CA C 88 58.750 58.486 0.264 1
1 1012 . 3 1 1 A 110 110 SER CB C 88 63.950 63.464 0.486 1
1 1013 . 3 1 1 A 110 110 SER N N 88 112.390 111.717 0.673 1
1 1014 . 3 1 1 A 111 111 GLY H H 89 7.790 7.633 0.157 1
1 1015 . 3 1 1 A 111 111 GLY HA2 H 89 4.180 4.013 0.167 1
1 1016 . 3 1 1 A 111 111 GLY HA3 H 89 3.700 4.014 -0.314 1
1 1017 . 3 1 1 A 111 111 GLY C C 89 174.520 174.399 0.121 1
1 1018 . 3 1 1 A 111 111 GLY CA C 89 45.530 45.045 0.485 1
1 1019 . 3 1 1 A 111 111 GLY N N 89 108.220 109.063 -0.843 1
1 1020 . 3 1 1 A 112 112 VAL H H 90 7.660 7.634 0.026 1
1 1021 . 3 1 1 A 112 112 VAL HA H 90 3.830 3.861 -0.031 1
1 1029 . 3 1 1 A 112 112 VAL C C 90 175.430 176.162 -0.732 1
1 1030 . 3 1 1 A 112 112 VAL CA C 90 63.880 62.524 1.356 1
1 1031 . 3 1 1 A 112 112 VAL CB C 90 32.040 31.726 0.314 1
1 1034 . 3 1 1 A 112 112 VAL N N 90 122.880 121.936 0.944 1
1 1035 . 3 1 1 A 113 113 ALA H H 91 8.720 8.509 0.211 1
1 1036 . 3 1 1 A 113 113 ALA HA H 91 4.210 3.949 0.261 1
1 1040 . 3 1 1 A 113 113 ALA C C 91 176.290 177.699 -1.409 1
1 1041 . 3 1 1 A 113 113 ALA CA C 91 52.900 54.410 -1.510 1
1 1042 . 3 1 1 A 113 113 ALA CB C 91 19.290 19.244 0.046 1
1 1043 . 3 1 1 A 113 113 ALA N N 91 132.080 127.862 4.218 1
1 1044 . 3 1 1 A 114 114 MET H H 92 8.260 8.081 0.179 1
1 1045 . 3 1 1 A 114 114 MET HA H 92 5.330 4.142 1.188 1
1 1051 . 3 1 1 A 114 114 MET C C 92 176.780 175.987 0.793 1
1 1052 . 3 1 1 A 114 114 MET CA C 92 53.390 56.189 -2.799 1
1 1053 . 3 1 1 A 114 114 MET CB C 92 33.450 31.018 2.432 1
1 1055 . 3 1 1 A 114 114 MET N N 92 116.930 116.500 0.430 1
1 1056 . 3 1 1 A 115 115 LEU H H 93 8.990 8.108 0.882 1
1 1057 . 3 1 1 A 115 115 LEU HA H 93 4.550 5.047 -0.497 1
1 1067 . 3 1 1 A 115 115 LEU C C 93 176.630 175.523 1.107 1
1 1068 . 3 1 1 A 115 115 LEU CA C 93 55.140 53.473 1.667 1
1 1069 . 3 1 1 A 115 115 LEU CB C 93 44.810 42.872 1.938 1
1 1073 . 3 1 1 A 115 115 LEU N N 93 122.250 116.524 5.726 1
1 1074 . 3 1 1 A 116 116 GLN H H 94 8.280 8.514 -0.234 1
1 1075 . 3 1 1 A 116 116 GLN HA H 94 4.700 4.770 -0.070 1
1 1080 . 3 1 1 A 116 116 GLN C C 94 174.860 173.909 0.951 1
1 1081 . 3 1 1 A 116 116 GLN CA C 94 55.600 55.853 -0.253 1
1 1082 . 3 1 1 A 116 116 GLN CB C 94 33.510 33.321 0.189 1
1 1083 . 3 1 1 A 116 116 GLN N N 94 121.140 123.188 -2.048 1
1 1085 . 3 1 1 A 117 117 GLN H H 95 8.490 8.644 -0.154 1
1 1086 . 3 1 1 A 117 117 GLN HA H 95 4.080 4.904 -0.824 1
1 1093 . 3 1 1 A 117 117 GLN CA C 95 54.860 52.411 2.449 1
1 1094 . 3 1 1 A 117 117 GLN CB C 95 26.550 29.486 -2.936 1
1 1096 . 3 1 1 A 117 117 GLN N N 95 125.610 124.430 1.180 1
1 1098 . 3 1 1 A 118 118 PRO HA H 96 4.410 4.795 -0.385 1
1 1103 . 3 1 1 A 118 118 PRO C C 96 176.290 175.598 0.692 1
1 1104 . 3 1 1 A 118 118 PRO CA C 96 64.130 62.876 1.254 1
1 1105 . 3 1 1 A 118 118 PRO CB C 96 30.550 31.500 -0.950 1
1 1107 . 3 1 1 A 119 119 ALA H H 97 8.980 8.127 0.853 1
1 1108 . 3 1 1 A 119 119 ALA HA H 97 4.550 4.986 -0.436 1
1 1112 . 3 1 1 A 119 119 ALA C C 97 175.820 176.339 -0.519 1
1 1113 . 3 1 1 A 119 119 ALA CA C 97 51.100 50.558 0.542 1
1 1114 . 3 1 1 A 119 119 ALA CB C 97 22.150 22.964 -0.814 1
1 1115 . 3 1 1 A 119 119 ALA N N 97 126.580 125.981 0.599 1
1 1116 . 3 1 1 A 120 120 LYS H H 98 8.710 8.651 0.059 1
1 1117 . 3 1 1 A 120 120 LYS HA H 98 4.450 4.632 -0.182 1
1 1126 . 3 1 1 A 120 120 LYS C C 98 175.950 176.223 -0.273 1
1 1127 . 3 1 1 A 120 120 LYS CA C 98 56.360 56.703 -0.343 1
1 1128 . 3 1 1 A 120 120 LYS CB C 98 32.090 32.587 -0.497 1
1 1132 . 3 1 1 A 120 120 LYS N N 98 121.330 121.838 -0.508 1
1 1133 . 3 1 1 A 121 121 MET H H 99 8.130 8.501 -0.371 1
1 1138 . 3 1 1 A 121 121 MET N N 99 125.590 124.949 0.641 1
1 1139 . 3 1 1 A 122 122 GLU HA H 100 3.890 3.995 -0.105 1
1 1144 . 3 1 1 A 122 122 GLU C C 100 176.450 176.355 0.095 1
1 1145 . 3 1 1 A 122 122 GLU CA C 100 59.740 58.605 1.135 1
1 1146 . 3 1 1 A 122 122 GLU CB C 100 29.200 30.059 -0.859 1
1 1148 . 3 1 1 A 123 123 PHE H H 101 6.120 7.793 -1.673 1
1 1149 . 3 1 1 A 123 123 PHE HA H 101 4.430 4.873 -0.443 1
1 1152 . 3 1 1 A 123 123 PHE C C 101 173.950 175.619 -1.669 1
1 1153 . 3 1 1 A 123 123 PHE CA C 101 54.750 55.962 -1.212 1
1 1154 . 3 1 1 A 123 123 PHE CB C 101 38.630 40.578 -1.948 1
1 1155 . 3 1 1 A 123 123 PHE N N 101 108.900 116.108 -7.208 1
1 1156 . 3 1 1 A 124 124 GLY H H 102 6.670 8.942 -2.272 1
1 1157 . 3 1 1 A 124 124 GLY HA2 H 102 4.780 4.229 0.551 1
1 1158 . 3 1 1 A 124 124 GLY HA3 H 102 3.770 4.473 -0.703 1
1 1159 . 3 1 1 A 124 124 GLY C C 102 170.410 173.287 -2.877 1
1 1160 . 3 1 1 A 124 124 GLY CA C 102 44.570 45.165 -0.595 1
1 1161 . 3 1 1 A 124 124 GLY N N 102 108.900 114.245 -5.345 1
1 1162 . 3 1 1 A 125 125 TYR H H 103 8.210 8.770 -0.560 1
1 1163 . 3 1 1 A 125 125 TYR HA H 103 5.080 4.722 0.358 1
1 1170 . 3 1 1 A 125 125 TYR C C 103 175.980 174.597 1.383 1
1 1171 . 3 1 1 A 125 125 TYR CA C 103 56.530 57.210 -0.680 1
1 1172 . 3 1 1 A 125 125 TYR CB C 103 40.180 38.665 1.515 1
1 1175 . 3 1 1 A 125 125 TYR N N 103 123.360 120.859 2.501 1
1 1176 . 3 1 1 A 126 126 THR H H 104 8.450 8.863 -0.413 1
1 1177 . 3 1 1 A 126 126 THR HA H 104 5.630 5.139 0.491 1
1 1182 . 3 1 1 A 126 126 THR C C 104 170.010 173.395 -3.385 1
1 1183 . 3 1 1 A 126 126 THR CA C 104 58.490 60.587 -2.097 1
1 1184 . 3 1 1 A 126 126 THR CB C 104 72.110 71.167 0.943 1
1 1186 . 3 1 1 A 126 126 THR N N 104 120.720 122.341 -1.621 1
1 1187 . 3 1 1 A 127 127 PHE H H 105 8.170 8.914 -0.744 1
1 1188 . 3 1 1 A 127 127 PHE HA H 105 4.620 5.095 -0.475 1
1 1195 . 3 1 1 A 127 127 PHE C C 105 172.490 173.308 -0.818 1
1 1196 . 3 1 1 A 127 127 PHE CA C 105 56.610 57.218 -0.608 1
1 1197 . 3 1 1 A 127 127 PHE CB C 105 41.710 42.657 -0.947 1
1 1200 . 3 1 1 A 127 127 PHE N N 105 120.530 128.223 -7.693 1
1 1201 . 3 1 1 A 128 128 THR H H 106 8.450 8.642 -0.192 1
1 1202 . 3 1 1 A 128 128 THR HA H 106 5.090 5.117 -0.027 1
1 1207 . 3 1 1 A 128 128 THR C C 106 172.750 173.130 -0.380 1
1 1208 . 3 1 1 A 128 128 THR CA C 106 63.340 60.708 2.632 1
1 1209 . 3 1 1 A 128 128 THR CB C 106 70.420 71.690 -1.270 1
1 1211 . 3 1 1 A 128 128 THR N N 106 114.010 121.536 -7.526 1
1 1212 . 3 1 1 A 129 129 ALA H H 107 10.030 8.973 1.057 1
1 1213 . 3 1 1 A 129 129 ALA HA H 107 5.540 5.150 0.390 1
1 1217 . 3 1 1 A 129 129 ALA C C 107 179.620 175.263 4.357 1
1 1218 . 3 1 1 A 129 129 ALA CA C 107 50.640 49.883 0.757 1
1 1219 . 3 1 1 A 129 129 ALA CB C 107 24.570 23.468 1.102 1
1 1220 . 3 1 1 A 129 129 ALA N N 107 135.110 128.635 6.475 1
1 1221 . 3 1 1 A 130 130 ALA H H 108 8.650 8.768 -0.118 1
1 1222 . 3 1 1 A 130 130 ALA HA H 108 5.380 5.070 0.310 1
1 1226 . 3 1 1 A 130 130 ALA C C 108 175.480 176.662 -1.182 1
1 1227 . 3 1 1 A 130 130 ALA CA C 108 50.100 50.201 -0.101 1
1 1228 . 3 1 1 A 130 130 ALA CB C 108 22.770 20.685 2.085 1
1 1229 . 3 1 1 A 130 130 ALA N N 108 121.150 122.382 -1.232 1
1 1230 . 3 1 1 A 131 131 ASP H H 109 8.770 8.641 0.129 1
1 1231 . 3 1 1 A 131 131 ASP HA H 109 3.910 4.681 -0.771 1
1 1234 . 3 1 1 A 131 131 ASP CA C 109 51.290 52.269 -0.979 1
1 1235 . 3 1 1 A 131 131 ASP CB C 109 41.350 40.810 0.540 1
1 1236 . 3 1 1 A 131 131 ASP N N 109 123.100 124.797 -1.697 1
1 1237 . 3 1 1 A 132 132 PRO HA H 110 4.140 4.075 0.065 1
1 1242 . 3 1 1 A 132 132 PRO C C 110 176.890 177.839 -0.949 1
1 1243 . 3 1 1 A 132 132 PRO CA C 110 65.730 65.665 0.065 1
1 1244 . 3 1 1 A 132 132 PRO CB C 110 31.850 31.386 0.464 1
1 1246 . 3 1 1 A 133 133 ASP H H 111 8.740 7.204 1.536 1
1 1247 . 3 1 1 A 133 133 ASP HA H 111 4.800 4.483 0.317 1
1 1250 . 3 1 1 A 133 133 ASP C C 111 173.720 175.451 -1.731 1
1 1251 . 3 1 1 A 133 133 ASP CA C 111 54.140 55.529 -1.389 1
1 1252 . 3 1 1 A 133 133 ASP CB C 111 42.910 41.061 1.849 1
1 1253 . 3 1 1 A 133 133 ASP N N 111 118.220 116.594 1.626 1
1 1254 . 3 1 1 A 134 134 SER H H 112 8.370 7.369 1.001 1
1 1255 . 3 1 1 A 134 134 SER HA H 112 3.710 3.954 -0.244 1
1 1258 . 3 1 1 A 134 134 SER CA C 112 60.670 59.062 1.608 1
1 1259 . 3 1 1 A 134 134 SER CB C 112 61.430 60.931 0.499 1
1 1260 . 3 1 1 A 134 134 SER N N 112 109.220 113.069 -3.849 1
1 1261 . 3 1 1 A 135 135 HIS H H 113 8.850 7.415 1.435 1
1 1268 . 3 1 1 A 135 135 HIS N N 113 122.820 118.755 4.065 1
1 1269 . 3 1 1 A 136 136 ARG HA H 114 4.680 4.579 0.101 1
1 1270 . 3 1 1 A 136 136 ARG C C 114 175.220 175.066 0.154 1
1 1271 . 3 1 1 A 136 136 ARG CA C 114 57.560 55.596 1.964 1
1 1272 . 3 1 1 A 137 137 LEU H H 115 8.680 8.812 -0.132 1
1 1273 . 3 1 1 A 137 137 LEU HA H 115 5.490 5.188 0.302 1
1 1282 . 3 1 1 A 137 137 LEU C C 115 174.620 175.039 -0.419 1
1 1283 . 3 1 1 A 137 137 LEU CA C 115 52.580 54.155 -1.575 1
1 1284 . 3 1 1 A 137 137 LEU CB C 115 43.070 42.197 0.873 1
1 1287 . 3 1 1 A 137 137 LEU N N 115 123.990 126.533 -2.543 1
1 1288 . 3 1 1 A 138 138 ARG H H 116 9.510 9.322 0.188 1
1 1289 . 3 1 1 A 138 138 ARG HA H 116 5.120 4.935 0.185 1
1 1292 . 3 1 1 A 138 138 ARG C C 116 175.090 175.171 -0.081 1
1 1293 . 3 1 1 A 138 138 ARG CA C 116 54.700 55.060 -0.360 1
1 1294 . 3 1 1 A 138 138 ARG CB C 116 33.480 31.755 1.725 1
1 1295 . 3 1 1 A 138 138 ARG N N 116 125.370 126.651 -1.281 1
1 1296 . 3 1 1 A 139 139 VAL H H 117 7.970 8.871 -0.901 1
1 1297 . 3 1 1 A 139 139 VAL HA H 117 5.280 5.504 -0.224 1
1 1305 . 3 1 1 A 139 139 VAL C C 117 176.390 174.699 1.691 1
1 1306 . 3 1 1 A 139 139 VAL CA C 117 60.090 61.017 -0.927 1
1 1307 . 3 1 1 A 139 139 VAL CB C 117 32.690 35.645 -2.955 1
1 1310 . 3 1 1 A 139 139 VAL N N 117 128.260 125.365 2.895 1
1 1311 . 3 1 1 A 140 140 TYR H H 118 9.200 8.930 0.270 1
1 1312 . 3 1 1 A 140 140 TYR HA H 118 5.800 6.163 -0.363 1
1 1319 . 3 1 1 A 140 140 TYR C C 118 170.820 173.036 -2.216 1
1 1320 . 3 1 1 A 140 140 TYR CA C 118 56.060 55.394 0.666 1
1 1321 . 3 1 1 A 140 140 TYR CB C 118 42.460 41.328 1.132 1
1 1324 . 3 1 1 A 140 140 TYR N N 118 127.020 122.976 4.044 1
1 1325 . 3 1 1 A 141 141 ALA H H 119 8.330 8.896 -0.566 1
1 1326 . 3 1 1 A 141 141 ALA HA H 119 4.560 5.004 -0.444 1
1 1330 . 3 1 1 A 141 141 ALA C C 119 177.150 176.068 1.082 1
1 1331 . 3 1 1 A 141 141 ALA CA C 119 50.530 50.658 -0.128 1
1 1332 . 3 1 1 A 141 141 ALA CB C 119 21.220 21.464 -0.244 1
1 1333 . 3 1 1 A 141 141 ALA N N 119 121.160 122.104 -0.944 1
1 1334 . 3 1 1 A 142 142 PHE H H 120 8.780 9.059 -0.279 1
1 1335 . 3 1 1 A 142 142 PHE HA H 120 4.910 4.914 -0.004 1
1 1340 . 3 1 1 A 142 142 PHE C C 120 175.090 174.529 0.561 1
1 1341 . 3 1 1 A 142 142 PHE CA C 120 57.720 58.821 -1.101 1
1 1342 . 3 1 1 A 142 142 PHE CB C 120 40.810 39.893 0.917 1
1 1344 . 3 1 1 A 142 142 PHE N N 120 122.630 126.283 -3.653 1
1 1345 . 3 1 1 A 143 143 ALA H H 121 8.190 8.103 0.087 1
1 1346 . 3 1 1 A 143 143 ALA HA H 121 4.330 4.220 0.110 1
1 1350 . 3 1 1 A 143 143 ALA C C 121 176.260 177.455 -1.195 1
1 1351 . 3 1 1 A 143 143 ALA CA C 121 52.280 51.373 0.907 1
1 1352 . 3 1 1 A 143 143 ALA CB C 121 19.310 18.172 1.138 1
1 1353 . 3 1 1 A 143 143 ALA N N 121 129.460 128.796 0.664 1
1 16 . 4 1 1 A 24 24 THR H H 2 8.350 7.406 0.944 1
1 17 . 4 1 1 A 24 24 THR HA H 2 4.470 5.062 -0.592 1
1 22 . 4 1 1 A 24 24 THR CA C 2 61.890 61.483 0.407 1
1 23 . 4 1 1 A 24 24 THR CB C 2 69.630 72.835 -3.205 1
1 25 . 4 1 1 A 24 24 THR N N 2 117.720 114.136 3.584 1
1 26 . 4 1 1 A 25 25 HIS H H 3 8.630 8.822 -0.192 1
1 27 . 4 1 1 A 25 25 HIS HA H 3 5.200 5.192 0.008 1
1 30 . 4 1 1 A 25 25 HIS CA C 3 51.620 52.924 -1.304 1
1 31 . 4 1 1 A 25 25 HIS CB C 3 33.320 30.654 2.666 1
1 32 . 4 1 1 A 25 25 HIS N N 3 124.890 122.355 2.535 1
1 33 . 4 1 1 A 26 26 PRO HA H 4 4.170 4.719 -0.549 1
1 40 . 4 1 1 A 26 26 PRO C C 4 175.740 176.539 -0.799 1
1 41 . 4 1 1 A 26 26 PRO CA C 4 62.740 62.374 0.366 1
1 42 . 4 1 1 A 26 26 PRO CB C 4 31.460 30.157 1.303 1
1 45 . 4 1 1 A 27 27 ASP H H 5 8.270 8.235 0.035 1
1 46 . 4 1 1 A 27 27 ASP HA H 5 4.810 4.773 0.037 1
1 49 . 4 1 1 A 27 27 ASP C C 5 175.400 175.479 -0.079 1
1 50 . 4 1 1 A 27 27 ASP CA C 5 53.310 53.611 -0.301 1
1 51 . 4 1 1 A 27 27 ASP CB C 5 42.390 41.024 1.366 1
1 52 . 4 1 1 A 27 27 ASP N N 5 119.440 121.007 -1.567 1
1 53 . 4 1 1 A 28 28 PHE H H 6 7.280 7.720 -0.440 1
1 54 . 4 1 1 A 28 28 PHE HA H 6 5.440 5.058 0.382 1
1 61 . 4 1 1 A 28 28 PHE C C 6 174.180 173.669 0.511 1
1 62 . 4 1 1 A 28 28 PHE CA C 6 54.590 56.507 -1.917 1
1 63 . 4 1 1 A 28 28 PHE CB C 6 42.310 42.658 -0.348 1
1 66 . 4 1 1 A 28 28 PHE N N 6 118.410 120.394 -1.984 1
1 67 . 4 1 1 A 29 29 THR H H 7 8.500 8.641 -0.141 1
1 68 . 4 1 1 A 29 29 THR HA H 7 4.800 5.164 -0.364 1
1 73 . 4 1 1 A 29 29 THR C C 7 172.280 172.812 -0.532 1
1 74 . 4 1 1 A 29 29 THR CA C 7 62.550 60.429 2.121 1
1 75 . 4 1 1 A 29 29 THR CB C 7 70.420 71.870 -1.450 1
1 77 . 4 1 1 A 29 29 THR N N 7 123.070 121.024 2.046 1
1 78 . 4 1 1 A 30 30 ILE H H 8 9.270 9.127 0.143 1
1 79 . 4 1 1 A 30 30 ILE HA H 8 4.680 5.179 -0.499 1
1 89 . 4 1 1 A 30 30 ILE C C 8 173.970 174.569 -0.599 1
1 90 . 4 1 1 A 30 30 ILE CA C 8 59.220 59.883 -0.663 1
1 91 . 4 1 1 A 30 30 ILE CB C 8 40.210 41.369 -1.159 1
1 95 . 4 1 1 A 30 30 ILE N N 8 126.920 127.264 -0.344 1
1 96 . 4 1 1 A 31 31 LEU H H 9 8.760 9.057 -0.297 1
1 97 . 4 1 1 A 31 31 LEU HA H 9 4.330 4.853 -0.523 1
1 107 . 4 1 1 A 31 31 LEU C C 9 176.520 175.446 1.074 1
1 108 . 4 1 1 A 31 31 LEU CA C 9 52.960 52.980 -0.020 1
1 109 . 4 1 1 A 31 31 LEU CB C 9 41.820 42.840 -1.020 1
1 113 . 4 1 1 A 31 31 LEU N N 9 126.000 127.306 -1.306 1
1 114 . 4 1 1 A 32 32 TYR H H 10 8.190 9.222 -1.032 1
1 115 . 4 1 1 A 32 32 TYR HA H 10 5.980 5.024 0.956 1
1 118 . 4 1 1 A 32 32 TYR C C 10 177.720 176.014 1.706 1
1 119 . 4 1 1 A 32 32 TYR CA C 10 53.120 57.664 -4.544 1
1 120 . 4 1 1 A 32 32 TYR CB C 10 36.560 39.377 -2.817 1
1 121 . 4 1 1 A 32 32 TYR N N 10 122.130 124.814 -2.684 1
1 122 . 4 1 1 A 33 33 VAL H H 11 8.470 8.835 -0.365 1
1 123 . 4 1 1 A 33 33 VAL HA H 11 4.990 4.919 0.071 1
1 131 . 4 1 1 A 33 33 VAL C C 11 176.030 175.331 0.699 1
1 132 . 4 1 1 A 33 33 VAL CA C 11 58.240 59.043 -0.803 1
1 133 . 4 1 1 A 33 33 VAL CB C 11 35.090 34.675 0.415 1
1 136 . 4 1 1 A 33 33 VAL N N 11 113.820 119.909 -6.089 1
1 137 . 4 1 1 A 34 34 ASP H H 12 9.750 9.144 0.606 1
1 138 . 4 1 1 A 34 34 ASP HA H 12 4.550 4.864 -0.314 1
1 141 . 4 1 1 A 34 34 ASP C C 12 177.230 175.628 1.602 1
1 142 . 4 1 1 A 34 34 ASP CA C 12 58.000 55.634 2.366 1
1 143 . 4 1 1 A 34 34 ASP CB C 12 42.780 42.079 0.701 1
1 144 . 4 1 1 A 34 34 ASP N N 12 124.140 121.554 2.586 1
1 145 . 4 1 1 A 35 35 ASN H H 13 9.250 7.772 1.478 1
1 146 . 4 1 1 A 35 35 ASN HA H 13 5.120 5.041 0.079 1
1 151 . 4 1 1 A 35 35 ASN CA C 13 50.610 49.932 0.678 1
1 152 . 4 1 1 A 35 35 ASN CB C 13 39.920 39.344 0.576 1
1 153 . 4 1 1 A 35 35 ASN N N 13 114.460 117.333 -2.873 1
1 155 . 4 1 1 A 37 37 PRO HA H 15 4.350 4.283 0.067 1
1 162 . 4 1 1 A 37 37 PRO C C 15 179.310 179.460 -0.150 1
1 163 . 4 1 1 A 37 37 PRO CA C 15 67.480 66.708 0.772 1
1 164 . 4 1 1 A 37 37 PRO CB C 15 31.340 30.864 0.476 1
1 167 . 4 1 1 A 38 38 ALA H H 16 7.740 8.255 -0.515 1
1 168 . 4 1 1 A 38 38 ALA HA H 16 4.310 4.082 0.228 1
1 172 . 4 1 1 A 38 38 ALA C C 16 182.490 179.533 2.957 1
1 173 . 4 1 1 A 38 38 ALA CA C 16 55.160 55.291 -0.131 1
1 174 . 4 1 1 A 38 38 ALA CB C 16 18.360 18.340 0.020 1
1 175 . 4 1 1 A 38 38 ALA N N 16 121.510 119.477 2.033 1
1 176 . 4 1 1 A 39 39 SER H H 17 8.770 7.962 0.808 1
1 177 . 4 1 1 A 39 39 SER HA H 17 4.190 4.339 -0.149 1
1 180 . 4 1 1 A 39 39 SER C C 17 175.610 177.643 -2.033 1
1 181 . 4 1 1 A 39 39 SER CA C 17 64.260 61.680 2.580 1
1 182 . 4 1 1 A 39 39 SER CB C 17 62.790 62.487 0.303 1
1 183 . 4 1 1 A 39 39 SER N N 17 117.520 113.151 4.369 1
1 184 . 4 1 1 A 40 40 THR H H 18 9.310 7.955 1.355 1
1 185 . 4 1 1 A 40 40 THR HA H 18 4.480 4.381 0.099 1
1 190 . 4 1 1 A 40 40 THR C C 18 175.590 177.445 -1.855 1
1 191 . 4 1 1 A 40 40 THR CA C 18 68.130 66.357 1.773 1
1 192 . 4 1 1 A 40 40 THR CB C 18 68.480 68.630 -0.150 1
1 194 . 4 1 1 A 40 40 THR N N 18 120.600 117.245 3.355 1
1 195 . 4 1 1 A 41 41 GLN H H 19 7.610 8.010 -0.400 1
1 196 . 4 1 1 A 41 41 GLN HA H 19 4.080 4.091 -0.011 1
1 203 . 4 1 1 A 41 41 GLN C C 19 178.110 178.150 -0.040 1
1 204 . 4 1 1 A 41 41 GLN CA C 19 59.170 58.943 0.227 1
1 205 . 4 1 1 A 41 41 GLN CB C 19 28.170 28.484 -0.314 1
1 207 . 4 1 1 A 41 41 GLN N N 19 120.130 120.877 -0.747 1
1 209 . 4 1 1 A 42 42 PHE H H 20 7.710 7.786 -0.076 1
1 210 . 4 1 1 A 42 42 PHE HA H 20 4.080 4.128 -0.048 1
1 218 . 4 1 1 A 42 42 PHE C C 20 177.460 176.996 0.464 1
1 219 . 4 1 1 A 42 42 PHE CA C 20 61.760 61.303 0.457 1
1 220 . 4 1 1 A 42 42 PHE CB C 20 38.590 38.812 -0.222 1
1 224 . 4 1 1 A 42 42 PHE N N 20 120.560 122.576 -2.016 1
1 225 . 4 1 1 A 43 43 TYR H H 21 8.890 8.110 0.780 1
1 226 . 4 1 1 A 43 43 TYR HA H 21 3.700 4.194 -0.494 1
1 233 . 4 1 1 A 43 43 TYR C C 21 177.640 178.110 -0.470 1
1 234 . 4 1 1 A 43 43 TYR CA C 21 64.290 61.492 2.798 1
1 235 . 4 1 1 A 43 43 TYR CB C 21 38.110 37.553 0.557 1
1 238 . 4 1 1 A 43 43 TYR N N 21 118.420 117.711 0.709 1
1 239 . 4 1 1 A 44 44 LYS H H 22 8.860 8.180 0.680 1
1 240 . 4 1 1 A 44 44 LYS HA H 22 4.630 3.607 1.023 1
1 249 . 4 1 1 A 44 44 LYS C C 22 179.780 179.133 0.647 1
1 250 . 4 1 1 A 44 44 LYS CA C 22 59.630 59.540 0.090 1
1 251 . 4 1 1 A 44 44 LYS CB C 22 33.210 32.451 0.759 1
1 255 . 4 1 1 A 44 44 LYS N N 22 122.200 120.034 2.166 1
1 256 . 4 1 1 A 45 45 ALA H H 23 7.180 7.401 -0.221 1
1 257 . 4 1 1 A 45 45 ALA HA H 23 4.040 3.954 0.086 1
1 261 . 4 1 1 A 45 45 ALA C C 23 179.130 179.915 -0.785 1
1 262 . 4 1 1 A 45 45 ALA CA C 23 54.350 54.622 -0.272 1
1 263 . 4 1 1 A 45 45 ALA CB C 23 18.030 18.122 -0.092 1
1 264 . 4 1 1 A 45 45 ALA N N 23 120.710 121.874 -1.164 1
1 265 . 4 1 1 A 46 46 LEU H H 24 7.510 7.567 -0.057 1
1 266 . 4 1 1 A 46 46 LEU HA H 24 3.550 3.687 -0.137 1
1 276 . 4 1 1 A 46 46 LEU C C 24 178.680 178.098 0.582 1
1 277 . 4 1 1 A 46 46 LEU CA C 24 57.910 56.822 1.088 1
1 278 . 4 1 1 A 46 46 LEU CB C 24 43.950 40.865 3.085 1
1 282 . 4 1 1 A 46 46 LEU N N 24 118.650 120.119 -1.469 1
1 283 . 4 1 1 A 47 47 LEU H H 25 8.800 7.524 1.276 1
1 284 . 4 1 1 A 47 47 LEU HA H 25 4.480 4.491 -0.011 1
1 294 . 4 1 1 A 47 47 LEU C C 25 178.960 177.773 1.187 1
1 295 . 4 1 1 A 47 47 LEU CA C 25 55.010 55.456 -0.446 1
1 296 . 4 1 1 A 47 47 LEU CB C 25 42.500 43.146 -0.646 1
1 300 . 4 1 1 A 47 47 LEU N N 25 112.540 117.264 -4.724 1
1 301 . 4 1 1 A 48 48 GLY H H 26 7.810 8.412 -0.602 1
1 302 . 4 1 1 A 48 48 GLY HA2 H 26 4.030 3.897 0.133 1
1 303 . 4 1 1 A 48 48 GLY HA3 H 26 3.900 3.927 -0.027 1
1 304 . 4 1 1 A 48 48 GLY C C 26 173.560 173.924 -0.364 1
1 305 . 4 1 1 A 48 48 GLY CA C 26 46.810 46.087 0.723 1
1 306 . 4 1 1 A 48 48 GLY N N 26 107.650 106.903 0.747 1
1 307 . 4 1 1 A 49 49 VAL H H 27 7.100 7.340 -0.240 1
1 308 . 4 1 1 A 49 49 VAL HA H 27 4.700 4.777 -0.077 1
1 316 . 4 1 1 A 49 49 VAL C C 27 172.980 173.877 -0.897 1
1 317 . 4 1 1 A 49 49 VAL CA C 27 58.680 58.917 -0.237 1
1 318 . 4 1 1 A 49 49 VAL CB C 27 36.090 35.839 0.251 1
1 321 . 4 1 1 A 49 49 VAL N N 27 110.770 115.242 -4.472 1
1 322 . 4 1 1 A 50 50 ASP H H 28 8.100 8.988 -0.888 1
1 323 . 4 1 1 A 50 50 ASP HA H 28 4.930 5.028 -0.098 1
1 326 . 4 1 1 A 50 50 ASP CA C 28 52.550 51.668 0.882 1
1 327 . 4 1 1 A 50 50 ASP CB C 28 40.520 44.200 -3.680 1
1 328 . 4 1 1 A 50 50 ASP N N 28 119.760 119.030 0.730 1
1 329 . 4 1 1 A 51 51 PRO HA H 29 3.700 4.848 -1.148 1
1 336 . 4 1 1 A 51 51 PRO C C 29 176.580 177.683 -1.103 1
1 337 . 4 1 1 A 51 51 PRO CA C 29 62.900 62.899 0.001 1
1 338 . 4 1 1 A 51 51 PRO CB C 29 30.550 31.770 -1.220 1
1 341 . 4 1 1 A 52 52 VAL H H 30 8.340 8.740 -0.400 1
1 342 . 4 1 1 A 52 52 VAL HA H 30 4.080 3.995 0.085 1
1 350 . 4 1 1 A 52 52 VAL C C 30 176.190 175.597 0.593 1
1 351 . 4 1 1 A 52 52 VAL CA C 30 62.790 64.114 -1.324 1
1 352 . 4 1 1 A 52 52 VAL CB C 30 32.280 32.318 -0.038 1
1 355 . 4 1 1 A 52 52 VAL N N 30 117.320 125.195 -7.875 1
1 356 . 4 1 1 A 53 53 GLU H H 31 7.170 7.691 -0.521 1
1 357 . 4 1 1 A 53 53 GLU HA H 31 4.580 4.940 -0.360 1
1 362 . 4 1 1 A 53 53 GLU C C 31 174.940 175.712 -0.772 1
1 363 . 4 1 1 A 53 53 GLU CA C 31 55.330 55.105 0.225 1
1 364 . 4 1 1 A 53 53 GLU CB C 31 33.370 31.750 1.620 1
1 366 . 4 1 1 A 53 53 GLU N N 31 118.180 120.426 -2.246 1
1 367 . 4 1 1 A 54 54 SER H H 32 8.650 8.962 -0.312 1
1 368 . 4 1 1 A 54 54 SER HA H 32 5.130 5.664 -0.534 1
1 371 . 4 1 1 A 54 54 SER C C 32 171.990 173.231 -1.241 1
1 372 . 4 1 1 A 54 54 SER CA C 32 57.940 56.195 1.745 1
1 373 . 4 1 1 A 54 54 SER CB C 32 64.720 66.133 -1.413 1
1 374 . 4 1 1 A 54 54 SER N N 32 117.210 119.500 -2.290 1
1 375 . 4 1 1 A 55 55 SER H H 33 8.760 8.556 0.204 1
1 376 . 4 1 1 A 55 55 SER N N 33 124.420 116.961 7.459 1
1 377 . 4 1 1 A 56 56 PRO HA H 34 4.320 4.466 -0.146 1
1 382 . 4 1 1 A 56 56 PRO C C 34 177.290 177.160 0.130 1
1 383 . 4 1 1 A 56 56 PRO CA C 34 65.750 65.009 0.741 1
1 384 . 4 1 1 A 56 56 PRO CB C 34 32.490 32.024 0.466 1
1 386 . 4 1 1 A 57 57 THR H H 35 7.810 8.211 -0.401 1
1 387 . 4 1 1 A 57 57 THR HA H 35 4.630 4.804 -0.174 1
1 392 . 4 1 1 A 57 57 THR C C 35 174.080 173.908 0.172 1
1 393 . 4 1 1 A 57 57 THR CA C 35 61.860 61.421 0.439 1
1 394 . 4 1 1 A 57 57 THR CB C 35 70.940 70.252 0.688 1
1 396 . 4 1 1 A 57 57 THR N N 35 101.710 110.429 -8.719 1
1 397 . 4 1 1 A 58 58 PHE H H 36 7.670 7.375 0.295 1
1 398 . 4 1 1 A 58 58 PHE HA H 36 5.780 4.934 0.846 1
1 405 . 4 1 1 A 58 58 PHE CA C 36 57.820 57.858 -0.038 1
1 406 . 4 1 1 A 58 58 PHE CB C 36 43.010 42.502 0.508 1
1 409 . 4 1 1 A 58 58 PHE N N 36 124.370 121.071 3.299 1
1 410 . 4 1 1 A 59 59 SER H H 37 8.070 7.828 0.242 1
1 411 . 4 1 1 A 59 59 SER HA H 37 4.890 5.282 -0.392 1
1 414 . 4 1 1 A 59 59 SER C C 37 170.010 172.470 -2.460 1
1 415 . 4 1 1 A 59 59 SER CA C 37 56.660 56.934 -0.274 1
1 416 . 4 1 1 A 59 59 SER CB C 37 67.490 65.802 1.688 1
1 417 . 4 1 1 A 59 59 SER N N 37 122.930 120.890 2.040 1
1 418 . 4 1 1 A 60 60 LEU H H 38 8.140 8.440 -0.300 1
1 419 . 4 1 1 A 60 60 LEU HA H 38 4.810 4.620 0.190 1
1 429 . 4 1 1 A 60 60 LEU C C 38 174.000 174.698 -0.698 1
1 430 . 4 1 1 A 60 60 LEU CA C 38 53.750 54.161 -0.411 1
1 431 . 4 1 1 A 60 60 LEU CB C 38 47.250 45.889 1.361 1
1 435 . 4 1 1 A 60 60 LEU N N 38 122.030 124.376 -2.346 1
1 436 . 4 1 1 A 61 61 PHE H H 39 9.460 7.972 1.488 1
1 437 . 4 1 1 A 61 61 PHE HA H 39 4.580 5.715 -1.135 1
1 444 . 4 1 1 A 61 61 PHE C C 39 174.390 172.259 2.131 1
1 445 . 4 1 1 A 61 61 PHE CA C 39 57.180 55.007 2.173 1
1 446 . 4 1 1 A 61 61 PHE CB C 39 41.570 42.678 -1.108 1
1 449 . 4 1 1 A 61 61 PHE N N 39 124.820 122.472 2.348 1
1 450 . 4 1 1 A 62 62 VAL H H 40 8.640 8.954 -0.314 1
1 451 . 4 1 1 A 62 62 VAL HA H 40 4.260 4.933 -0.673 1
1 459 . 4 1 1 A 62 62 VAL C C 40 175.380 173.770 1.610 1
1 460 . 4 1 1 A 62 62 VAL CA C 40 62.520 59.703 2.817 1
1 461 . 4 1 1 A 62 62 VAL CB C 40 32.470 34.813 -2.343 1
1 464 . 4 1 1 A 62 62 VAL N N 40 122.650 120.658 1.992 1
1 465 . 4 1 1 A 63 63 LEU H H 41 8.710 8.592 0.118 1
1 466 . 4 1 1 A 63 63 LEU HA H 41 4.590 4.711 -0.121 1
1 476 . 4 1 1 A 63 63 LEU CA C 41 53.560 53.502 0.058 1
1 477 . 4 1 1 A 63 63 LEU CB C 41 41.600 42.737 -1.137 1
1 481 . 4 1 1 A 63 63 LEU N N 41 126.170 128.488 -2.318 1
1 482 . 4 1 1 A 64 64 ALA HA H 42 4.040 4.126 -0.086 1
1 486 . 4 1 1 A 64 64 ALA CA C 42 55.050 54.118 0.932 1
1 487 . 4 1 1 A 64 64 ALA CB C 42 18.580 18.661 -0.081 1
1 488 . 4 1 1 A 65 65 ASN H H 43 7.680 7.900 -0.220 1
1 489 . 4 1 1 A 65 65 ASN HA H 43 4.520 4.700 -0.180 1
1 494 . 4 1 1 A 65 65 ASN C C 43 175.860 175.768 0.092 1
1 495 . 4 1 1 A 65 65 ASN CA C 43 52.530 53.366 -0.836 1
1 496 . 4 1 1 A 65 65 ASN CB C 43 37.800 38.649 -0.849 1
1 497 . 4 1 1 A 65 65 ASN N N 43 112.130 114.952 -2.822 1
1 499 . 4 1 1 A 66 66 GLY H H 44 8.070 8.120 -0.050 1
1 500 . 4 1 1 A 66 66 GLY HA2 H 44 4.330 3.897 0.433 1
1 501 . 4 1 1 A 66 66 GLY HA3 H 44 3.480 3.900 -0.420 1
1 502 . 4 1 1 A 66 66 GLY C C 44 174.260 173.848 0.412 1
1 503 . 4 1 1 A 66 66 GLY CA C 44 44.930 45.397 -0.467 1
1 504 . 4 1 1 A 66 66 GLY N N 44 107.650 108.634 -0.984 1
1 505 . 4 1 1 A 67 67 MET H H 45 7.900 7.744 0.156 1
1 506 . 4 1 1 A 67 67 MET HA H 45 4.420 4.982 -0.562 1
1 514 . 4 1 1 A 67 67 MET CA C 45 55.520 52.951 2.569 1
1 515 . 4 1 1 A 67 67 MET CB C 45 33.630 35.639 -2.009 1
1 518 . 4 1 1 A 67 67 MET N N 45 121.850 116.740 5.110 1
1 519 . 4 1 1 A 68 68 LYS HA H 46 5.040 5.004 0.036 1
1 528 . 4 1 1 A 68 68 LYS C C 46 174.600 174.102 0.498 1
1 529 . 4 1 1 A 68 68 LYS CA C 46 55.410 54.676 0.734 1
1 530 . 4 1 1 A 68 68 LYS CB C 46 34.460 35.874 -1.414 1
1 534 . 4 1 1 A 69 69 LEU H H 47 8.830 8.331 0.499 1
1 535 . 4 1 1 A 69 69 LEU HA H 47 5.450 4.963 0.487 1
1 545 . 4 1 1 A 69 69 LEU C C 47 174.880 175.507 -0.627 1
1 546 . 4 1 1 A 69 69 LEU CA C 47 52.980 52.629 0.351 1
1 547 . 4 1 1 A 69 69 LEU CB C 47 46.560 44.523 2.037 1
1 551 . 4 1 1 A 69 69 LEU N N 47 124.960 126.065 -1.105 1
1 552 . 4 1 1 A 70 70 GLY H H 48 9.580 9.044 0.536 1
1 553 . 4 1 1 A 70 70 GLY HA2 H 48 5.220 3.882 1.338 1
1 554 . 4 1 1 A 70 70 GLY HA3 H 48 3.090 4.416 -1.326 1
1 555 . 4 1 1 A 70 70 GLY C C 48 170.590 171.688 -1.098 1
1 556 . 4 1 1 A 70 70 GLY CA C 48 43.370 44.025 -0.655 1
1 557 . 4 1 1 A 70 70 GLY N N 48 113.940 112.552 1.388 1
1 558 . 4 1 1 A 71 71 LEU H H 49 8.250 8.476 -0.226 1
1 559 . 4 1 1 A 71 71 LEU HA H 49 5.150 5.111 0.039 1
1 569 . 4 1 1 A 71 71 LEU C C 49 173.920 174.741 -0.821 1
1 570 . 4 1 1 A 71 71 LEU CA C 49 52.770 53.382 -0.612 1
1 571 . 4 1 1 A 71 71 LEU CB C 49 43.100 42.958 0.142 1
1 575 . 4 1 1 A 71 71 LEU N N 49 122.270 123.788 -1.518 1
1 576 . 4 1 1 A 72 72 TRP H H 50 8.960 8.725 0.235 1
1 577 . 4 1 1 A 72 72 TRP HA H 50 5.860 5.616 0.244 1
1 584 . 4 1 1 A 72 72 TRP C C 50 175.740 175.635 0.105 1
1 585 . 4 1 1 A 72 72 TRP CA C 50 53.170 55.556 -2.386 1
1 586 . 4 1 1 A 72 72 TRP CB C 50 34.990 32.386 2.604 1
1 590 . 4 1 1 A 72 72 TRP N N 50 125.010 128.220 -3.210 1
1 592 . 4 1 1 A 73 73 SER H H 51 9.010 8.923 0.087 1
1 593 . 4 1 1 A 73 73 SER HA H 51 4.570 4.976 -0.406 1
1 596 . 4 1 1 A 73 73 SER C C 51 176.240 175.769 0.471 1
1 597 . 4 1 1 A 73 73 SER CA C 51 58.490 59.312 -0.822 1
1 598 . 4 1 1 A 73 73 SER CB C 51 63.770 63.159 0.611 1
1 599 . 4 1 1 A 73 73 SER N N 51 120.380 123.132 -2.752 1
1 600 . 4 1 1 A 74 74 ARG H H 52 9.420 8.880 0.540 1
1 601 . 4 1 1 A 74 74 ARG HA H 52 3.460 3.894 -0.434 1
1 608 . 4 1 1 A 74 74 ARG C C 52 175.610 176.674 -1.064 1
1 609 . 4 1 1 A 74 74 ARG CA C 52 57.590 58.347 -0.757 1
1 610 . 4 1 1 A 74 74 ARG CB C 52 28.900 29.881 -0.981 1
1 613 . 4 1 1 A 74 74 ARG N N 52 128.770 124.731 4.039 1
1 614 . 4 1 1 A 75 75 HIS H H 53 7.910 7.788 0.122 1
1 615 . 4 1 1 A 75 75 HIS HA H 53 4.310 4.524 -0.214 1
1 619 . 4 1 1 A 75 75 HIS C C 53 176.610 175.544 1.066 1
1 620 . 4 1 1 A 75 75 HIS CA C 53 57.190 57.029 0.161 1
1 621 . 4 1 1 A 75 75 HIS CB C 53 31.260 29.652 1.608 1
1 623 . 4 1 1 A 75 75 HIS N N 53 117.320 116.291 1.029 1
1 624 . 4 1 1 A 76 76 THR H H 54 7.360 7.498 -0.138 1
1 625 . 4 1 1 A 76 76 THR HA H 54 4.540 4.547 -0.007 1
1 630 . 4 1 1 A 76 76 THR C C 54 175.120 174.078 1.042 1
1 631 . 4 1 1 A 76 76 THR CA C 54 61.840 61.346 0.494 1
1 632 . 4 1 1 A 76 76 THR CB C 54 69.680 70.089 -0.409 1
1 634 . 4 1 1 A 76 76 THR N N 54 107.350 113.584 -6.234 1
1 635 . 4 1 1 A 77 77 VAL H H 55 6.630 7.249 -0.619 1
1 636 . 4 1 1 A 77 77 VAL HA H 55 2.700 3.282 -0.582 1
1 644 . 4 1 1 A 77 77 VAL C C 55 173.920 175.153 -1.233 1
1 645 . 4 1 1 A 77 77 VAL CA C 55 63.500 61.983 1.517 1
1 646 . 4 1 1 A 77 77 VAL CB C 55 31.270 31.904 -0.634 1
1 649 . 4 1 1 A 77 77 VAL N N 55 123.760 121.829 1.931 1
1 650 . 4 1 1 A 78 78 GLU H H 56 6.010 8.622 -2.612 1
1 651 . 4 1 1 A 78 78 GLU HA H 56 4.160 4.803 -0.643 1
1 656 . 4 1 1 A 78 78 GLU CA C 56 53.120 52.485 0.635 1
1 657 . 4 1 1 A 78 78 GLU CB C 56 32.240 31.908 0.332 1
1 659 . 4 1 1 A 78 78 GLU N N 56 124.820 127.241 -2.421 1
1 660 . 4 1 1 A 79 79 PRO HA H 57 4.620 4.498 0.122 1
1 667 . 4 1 1 A 79 79 PRO C C 57 176.190 176.607 -0.417 1
1 668 . 4 1 1 A 79 79 PRO CA C 57 61.890 62.609 -0.719 1
1 669 . 4 1 1 A 79 79 PRO CB C 57 33.620 32.068 1.552 1
1 672 . 4 1 1 A 80 80 LYS H H 58 8.340 8.280 0.060 1
1 673 . 4 1 1 A 80 80 LYS HA H 58 3.880 4.084 -0.204 1
1 682 . 4 1 1 A 80 80 LYS C C 58 177.100 175.043 2.057 1
1 683 . 4 1 1 A 80 80 LYS CA C 58 57.610 57.037 0.573 1
1 684 . 4 1 1 A 80 80 LYS CB C 58 32.400 33.331 -0.931 1
1 688 . 4 1 1 A 80 80 LYS N N 58 121.510 122.481 -0.971 1
1 689 . 4 1 1 A 81 81 ALA H H 59 8.430 8.556 -0.126 1
1 690 . 4 1 1 A 81 81 ALA HA H 59 4.870 4.937 -0.067 1
1 694 . 4 1 1 A 81 81 ALA C C 59 177.460 175.543 1.917 1
1 695 . 4 1 1 A 81 81 ALA CA C 59 51.020 51.152 -0.132 1
1 696 . 4 1 1 A 81 81 ALA CB C 59 22.910 20.733 2.177 1
1 697 . 4 1 1 A 81 81 ALA N N 59 129.030 129.401 -0.371 1
1 698 . 4 1 1 A 82 82 SER H H 60 9.680 8.774 0.906 1
1 699 . 4 1 1 A 82 82 SER HA H 60 4.510 4.707 -0.197 1
1 702 . 4 1 1 A 82 82 SER C C 60 172.960 173.432 -0.472 1
1 703 . 4 1 1 A 82 82 SER CA C 60 58.350 58.297 0.053 1
1 704 . 4 1 1 A 82 82 SER CB C 60 65.150 62.051 3.099 1
1 705 . 4 1 1 A 82 82 SER N N 60 115.930 120.775 -4.845 1
1 706 . 4 1 1 A 83 83 VAL H H 61 7.450 8.359 -0.909 1
1 707 . 4 1 1 A 83 83 VAL HA H 61 4.260 5.043 -0.783 1
1 715 . 4 1 1 A 83 83 VAL CA C 61 60.940 59.726 1.214 1
1 716 . 4 1 1 A 83 83 VAL CB C 61 35.360 35.924 -0.564 1
1 719 . 4 1 1 A 83 83 VAL N N 61 121.550 118.108 3.442 1
1 720 . 4 1 1 A 84 84 THR H H 62 7.850 8.722 -0.872 1
1 721 . 4 1 1 A 84 84 THR HA H 62 4.750 5.009 -0.259 1
1 726 . 4 1 1 A 84 84 THR C C 62 174.040 173.922 0.118 1
1 727 . 4 1 1 A 84 84 THR CA C 62 59.370 60.125 -0.755 1
1 728 . 4 1 1 A 84 84 THR CB C 62 68.800 71.429 -2.629 1
1 730 . 4 1 1 A 84 84 THR N N 62 111.040 114.411 -3.371 1
1 731 . 4 1 1 A 85 85 GLY H H 63 7.950 8.813 -0.863 1
1 732 . 4 1 1 A 85 85 GLY HA2 H 63 3.480 3.902 -0.422 1
1 733 . 4 1 1 A 85 85 GLY HA3 H 63 2.950 3.905 -0.955 1
1 734 . 4 1 1 A 85 85 GLY C C 63 174.140 175.315 -1.175 1
1 735 . 4 1 1 A 85 85 GLY CA C 63 45.490 46.466 -0.976 1
1 736 . 4 1 1 A 85 85 GLY N N 63 109.700 113.019 -3.319 1
1 737 . 4 1 1 A 86 86 GLY H H 64 8.530 8.384 0.146 1
1 738 . 4 1 1 A 86 86 GLY HA2 H 64 4.550 4.256 0.294 1
1 739 . 4 1 1 A 86 86 GLY HA3 H 64 3.700 4.268 -0.568 1
1 740 . 4 1 1 A 86 86 GLY C C 64 174.700 173.453 1.247 1
1 741 . 4 1 1 A 86 86 GLY CA C 64 45.600 45.690 -0.090 1
1 742 . 4 1 1 A 86 86 GLY N N 64 107.420 105.854 1.566 1
1 743 . 4 1 1 A 87 87 GLY H H 65 9.280 7.756 1.524 1
1 744 . 4 1 1 A 87 87 GLY HA2 H 65 4.860 4.232 0.628 1
1 745 . 4 1 1 A 87 87 GLY HA3 H 65 4.160 4.237 -0.077 1
1 746 . 4 1 1 A 87 87 GLY C C 65 172.640 173.798 -1.158 1
1 747 . 4 1 1 A 87 87 GLY CA C 65 45.630 45.460 0.170 1
1 748 . 4 1 1 A 87 87 GLY N N 65 111.380 108.079 3.301 1
1 749 . 4 1 1 A 88 88 GLY H H 66 6.610 8.659 -2.049 1
1 750 . 4 1 1 A 88 88 GLY HA2 H 66 4.020 4.168 -0.148 1
1 751 . 4 1 1 A 88 88 GLY HA3 H 66 2.360 4.278 -1.918 1
1 752 . 4 1 1 A 88 88 GLY C C 66 172.250 173.794 -1.544 1
1 753 . 4 1 1 A 88 88 GLY CA C 66 43.910 45.261 -1.351 1
1 754 . 4 1 1 A 88 88 GLY N N 66 105.700 107.777 -2.077 1
1 755 . 4 1 1 A 89 89 GLU H H 67 9.230 8.736 0.494 1
1 756 . 4 1 1 A 89 89 GLU HA H 67 5.100 5.336 -0.236 1
1 761 . 4 1 1 A 89 89 GLU C C 67 175.770 174.376 1.394 1
1 762 . 4 1 1 A 89 89 GLU CA C 67 54.540 54.920 -0.380 1
1 763 . 4 1 1 A 89 89 GLU CB C 67 34.710 32.604 2.106 1
1 765 . 4 1 1 A 89 89 GLU N N 67 117.210 123.205 -5.995 1
1 766 . 4 1 1 A 90 90 LEU H H 68 8.470 8.847 -0.377 1
1 767 . 4 1 1 A 90 90 LEU HA H 68 5.050 4.970 0.080 1
1 777 . 4 1 1 A 90 90 LEU C C 68 175.460 174.881 0.579 1
1 778 . 4 1 1 A 90 90 LEU CA C 68 54.160 53.844 0.316 1
1 779 . 4 1 1 A 90 90 LEU CB C 68 44.250 45.089 -0.839 1
1 783 . 4 1 1 A 90 90 LEU N N 68 120.420 126.631 -6.211 1
1 784 . 4 1 1 A 91 91 ALA H H 69 8.880 8.927 -0.047 1
1 785 . 4 1 1 A 91 91 ALA HA H 69 5.990 5.509 0.481 1
1 789 . 4 1 1 A 91 91 ALA C C 69 175.300 176.166 -0.866 1
1 790 . 4 1 1 A 91 91 ALA CA C 69 50.340 50.387 -0.047 1
1 791 . 4 1 1 A 91 91 ALA CB C 69 21.140 20.503 0.637 1
1 792 . 4 1 1 A 91 91 ALA N N 69 124.720 130.293 -5.573 1
1 793 . 4 1 1 A 92 92 PHE H H 70 10.090 9.592 0.498 1
1 794 . 4 1 1 A 92 92 PHE HA H 70 4.700 5.149 -0.449 1
1 802 . 4 1 1 A 92 92 PHE CA C 70 56.580 56.598 -0.018 1
1 803 . 4 1 1 A 92 92 PHE CB C 70 40.490 40.024 0.466 1
1 807 . 4 1 1 A 92 92 PHE N N 70 122.920 122.868 0.052 1
1 808 . 4 1 1 A 93 93 ARG H H 71 9.030 8.997 0.033 1
1 809 . 4 1 1 A 93 93 ARG HA H 71 4.460 4.404 0.056 1
1 816 . 4 1 1 A 93 93 ARG C C 71 176.910 175.913 0.997 1
1 817 . 4 1 1 A 93 93 ARG CA C 71 55.080 55.831 -0.751 1
1 818 . 4 1 1 A 93 93 ARG CB C 71 31.950 31.530 0.420 1
1 821 . 4 1 1 A 93 93 ARG N N 71 125.390 124.857 0.533 1
1 822 . 4 1 1 A 94 94 VAL H H 72 8.470 8.162 0.308 1
1 823 . 4 1 1 A 94 94 VAL HA H 72 4.820 4.649 0.171 1
1 831 . 4 1 1 A 94 94 VAL C C 72 176.320 176.162 0.158 1
1 832 . 4 1 1 A 94 94 VAL CA C 72 59.190 58.870 0.320 1
1 833 . 4 1 1 A 94 94 VAL CB C 72 32.550 34.737 -2.187 1
1 836 . 4 1 1 A 94 94 VAL N N 72 119.430 119.597 -0.167 1
1 837 . 4 1 1 A 95 95 GLU H H 73 8.160 8.837 -0.677 1
1 838 . 4 1 1 A 95 95 GLU HA H 73 3.940 4.166 -0.226 1
1 843 . 4 1 1 A 95 95 GLU C C 73 176.560 176.550 0.010 1
1 844 . 4 1 1 A 95 95 GLU CA C 73 59.620 58.703 0.917 1
1 845 . 4 1 1 A 95 95 GLU CB C 73 31.400 29.636 1.764 1
1 847 . 4 1 1 A 95 95 GLU N N 73 116.510 120.422 -3.912 1
1 848 . 4 1 1 A 96 96 ASN H H 74 7.240 7.819 -0.579 1
1 849 . 4 1 1 A 96 96 ASN HA H 74 4.780 5.074 -0.294 1
1 854 . 4 1 1 A 96 96 ASN C C 74 174.960 174.664 0.296 1
1 855 . 4 1 1 A 96 96 ASN CA C 74 51.570 52.791 -1.221 1
1 856 . 4 1 1 A 96 96 ASN CB C 74 40.130 39.128 1.002 1
1 857 . 4 1 1 A 96 96 ASN N N 74 108.930 114.096 -5.166 1
1 859 . 4 1 1 A 97 97 ASP H H 75 8.330 9.085 -0.755 1
1 860 . 4 1 1 A 97 97 ASP HA H 75 4.190 4.448 -0.258 1
1 863 . 4 1 1 A 97 97 ASP C C 75 177.800 178.552 -0.752 1
1 864 . 4 1 1 A 97 97 ASP CA C 75 57.780 56.721 1.059 1
1 865 . 4 1 1 A 97 97 ASP CB C 75 39.230 39.556 -0.326 1
1 866 . 4 1 1 A 97 97 ASP N N 75 120.390 118.330 2.060 1
1 867 . 4 1 1 A 98 98 ALA H H 76 8.090 8.048 0.042 1
1 868 . 4 1 1 A 98 98 ALA HA H 76 4.210 3.935 0.275 1
1 872 . 4 1 1 A 98 98 ALA C C 76 181.130 179.948 1.182 1
1 873 . 4 1 1 A 98 98 ALA CA C 76 55.160 55.379 -0.219 1
1 874 . 4 1 1 A 98 98 ALA CB C 76 17.440 18.136 -0.696 1
1 875 . 4 1 1 A 98 98 ALA N N 76 122.660 121.832 0.828 1
1 876 . 4 1 1 A 99 99 GLN H H 77 8.110 7.758 0.352 1
1 877 . 4 1 1 A 99 99 GLN HA H 77 4.170 4.076 0.094 1
1 884 . 4 1 1 A 99 99 GLN C C 77 180.190 178.648 1.542 1
1 885 . 4 1 1 A 99 99 GLN CA C 77 58.680 58.557 0.123 1
1 886 . 4 1 1 A 99 99 GLN CB C 77 28.590 28.571 0.019 1
1 888 . 4 1 1 A 99 99 GLN N N 77 116.870 117.931 -1.061 1
1 890 . 4 1 1 A 100 100 VAL H H 78 7.860 7.618 0.242 1
1 891 . 4 1 1 A 100 100 VAL HA H 78 3.400 3.630 -0.230 1
1 899 . 4 1 1 A 100 100 VAL C C 78 177.510 177.935 -0.425 1
1 900 . 4 1 1 A 100 100 VAL CA C 78 67.800 66.410 1.390 1
1 901 . 4 1 1 A 100 100 VAL CB C 78 30.810 31.866 -1.056 1
1 904 . 4 1 1 A 100 100 VAL N N 78 125.200 121.172 4.028 1
1 905 . 4 1 1 A 101 101 ASP H H 79 7.810 7.935 -0.125 1
1 906 . 4 1 1 A 101 101 ASP HA H 79 4.420 4.336 0.084 1
1 909 . 4 1 1 A 101 101 ASP C C 79 175.010 178.617 -3.607 1
1 910 . 4 1 1 A 101 101 ASP CA C 79 58.490 57.614 0.876 1
1 911 . 4 1 1 A 101 101 ASP CB C 79 40.400 40.913 -0.513 1
1 912 . 4 1 1 A 101 101 ASP N N 79 119.560 120.417 -0.857 1
1 913 . 4 1 1 A 102 102 GLU H H 80 8.620 7.992 0.628 1
1 914 . 4 1 1 A 102 102 GLU HA H 80 4.080 4.066 0.014 1
1 919 . 4 1 1 A 102 102 GLU C C 80 179.540 179.336 0.204 1
1 920 . 4 1 1 A 102 102 GLU CA C 80 59.470 59.422 0.048 1
1 921 . 4 1 1 A 102 102 GLU CB C 80 30.210 29.234 0.976 1
1 923 . 4 1 1 A 102 102 GLU N N 80 121.400 118.984 2.416 1
1 924 . 4 1 1 A 103 103 THR H H 81 8.120 7.687 0.433 1
1 925 . 4 1 1 A 103 103 THR HA H 81 3.660 3.863 -0.203 1
1 930 . 4 1 1 A 103 103 THR C C 81 174.440 176.219 -1.779 1
1 931 . 4 1 1 A 103 103 THR CA C 81 66.990 66.528 0.462 1
1 932 . 4 1 1 A 103 103 THR CB C 81 68.070 68.347 -0.277 1
1 934 . 4 1 1 A 103 103 THR N N 81 118.770 117.784 0.986 1
1 935 . 4 1 1 A 104 104 PHE H H 82 8.340 8.028 0.312 1
1 936 . 4 1 1 A 104 104 PHE HA H 82 3.030 3.488 -0.458 1
1 943 . 4 1 1 A 104 104 PHE C C 82 176.050 176.519 -0.469 1
1 944 . 4 1 1 A 104 104 PHE CA C 82 61.480 62.048 -0.568 1
1 945 . 4 1 1 A 104 104 PHE CB C 82 38.550 38.457 0.093 1
1 948 . 4 1 1 A 104 104 PHE N N 82 122.350 121.299 1.051 1
1 949 . 4 1 1 A 105 105 ALA H H 83 7.780 8.399 -0.619 1
1 950 . 4 1 1 A 105 105 ALA HA H 83 3.680 4.002 -0.322 1
1 954 . 4 1 1 A 105 105 ALA C C 83 181.410 179.849 1.561 1
1 955 . 4 1 1 A 105 105 ALA CA C 83 54.880 55.002 -0.122 1
1 956 . 4 1 1 A 105 105 ALA CB C 83 18.080 18.142 -0.062 1
1 957 . 4 1 1 A 105 105 ALA N N 83 118.740 121.098 -2.358 1
1 958 . 4 1 1 A 106 106 GLY H H 84 8.120 7.981 0.139 1
1 959 . 4 1 1 A 106 106 GLY HA2 H 84 3.910 3.605 0.305 1
1 960 . 4 1 1 A 106 106 GLY HA3 H 84 3.810 3.641 0.169 1
1 961 . 4 1 1 A 106 106 GLY C C 84 176.780 177.252 -0.472 1
1 962 . 4 1 1 A 106 106 GLY CA C 84 46.910 47.026 -0.116 1
1 963 . 4 1 1 A 106 106 GLY N N 84 107.090 105.806 1.284 1
1 964 . 4 1 1 A 107 107 TRP H H 85 9.240 7.901 1.339 1
1 965 . 4 1 1 A 107 107 TRP HA H 85 4.440 4.528 -0.088 1
1 972 . 4 1 1 A 107 107 TRP C C 85 179.210 178.238 0.972 1
1 973 . 4 1 1 A 107 107 TRP CA C 85 59.190 60.468 -1.278 1
1 974 . 4 1 1 A 107 107 TRP CB C 85 28.450 28.814 -0.364 1
1 978 . 4 1 1 A 107 107 TRP N N 85 124.820 122.064 2.756 1
1 980 . 4 1 1 A 108 108 LYS H H 86 8.610 8.130 0.480 1
1 981 . 4 1 1 A 108 108 LYS HA H 86 3.920 3.858 0.062 1
1 990 . 4 1 1 A 108 108 LYS C C 86 180.980 178.907 2.073 1
1 991 . 4 1 1 A 108 108 LYS CA C 86 60.040 59.269 0.771 1
1 992 . 4 1 1 A 108 108 LYS CB C 86 31.850 32.157 -0.307 1
1 996 . 4 1 1 A 108 108 LYS N N 86 121.490 120.694 0.796 1
1 997 . 4 1 1 A 109 109 ALA H H 87 7.890 7.796 0.094 1
1 998 . 4 1 1 A 109 109 ALA HA H 87 4.150 4.134 0.016 1
1 1002 . 4 1 1 A 109 109 ALA C C 87 179.050 178.527 0.523 1
1 1003 . 4 1 1 A 109 109 ALA CA C 87 54.670 54.365 0.305 1
1 1004 . 4 1 1 A 109 109 ALA CB C 87 18.010 18.125 -0.115 1
1 1005 . 4 1 1 A 109 109 ALA N N 87 121.920 121.457 0.463 1
1 1006 . 4 1 1 A 110 110 SER H H 88 7.510 7.606 -0.096 1
1 1007 . 4 1 1 A 110 110 SER HA H 88 4.450 4.561 -0.111 1
1 1010 . 4 1 1 A 110 110 SER C C 88 174.140 174.591 -0.451 1
1 1011 . 4 1 1 A 110 110 SER CA C 88 58.750 58.576 0.174 1
1 1012 . 4 1 1 A 110 110 SER CB C 88 63.950 63.567 0.383 1
1 1013 . 4 1 1 A 110 110 SER N N 88 112.390 111.311 1.079 1
1 1014 . 4 1 1 A 111 111 GLY H H 89 7.790 8.002 -0.212 1
1 1015 . 4 1 1 A 111 111 GLY HA2 H 89 4.180 3.953 0.227 1
1 1016 . 4 1 1 A 111 111 GLY HA3 H 89 3.700 3.993 -0.293 1
1 1017 . 4 1 1 A 111 111 GLY C C 89 174.520 174.563 -0.043 1
1 1018 . 4 1 1 A 111 111 GLY CA C 89 45.530 46.751 -1.221 1
1 1019 . 4 1 1 A 111 111 GLY N N 89 108.220 109.990 -1.770 1
1 1020 . 4 1 1 A 112 112 VAL H H 90 7.660 7.520 0.140 1
1 1021 . 4 1 1 A 112 112 VAL HA H 90 3.830 4.212 -0.382 1
1 1029 . 4 1 1 A 112 112 VAL C C 90 175.430 176.441 -1.011 1
1 1030 . 4 1 1 A 112 112 VAL CA C 90 63.880 60.495 3.385 1
1 1031 . 4 1 1 A 112 112 VAL CB C 90 32.040 33.382 -1.342 1
1 1034 . 4 1 1 A 112 112 VAL N N 90 122.880 119.645 3.235 1
1 1035 . 4 1 1 A 113 113 ALA H H 91 8.720 8.276 0.444 1
1 1036 . 4 1 1 A 113 113 ALA HA H 91 4.210 4.077 0.133 1
1 1040 . 4 1 1 A 113 113 ALA C C 91 176.290 177.678 -1.388 1
1 1041 . 4 1 1 A 113 113 ALA CA C 91 52.900 55.256 -2.356 1
1 1042 . 4 1 1 A 113 113 ALA CB C 91 19.290 18.876 0.414 1
1 1043 . 4 1 1 A 113 113 ALA N N 91 132.080 129.474 2.606 1
1 1044 . 4 1 1 A 114 114 MET H H 92 8.260 8.053 0.207 1
1 1045 . 4 1 1 A 114 114 MET HA H 92 5.330 4.185 1.145 1
1 1051 . 4 1 1 A 114 114 MET C C 92 176.780 176.224 0.556 1
1 1052 . 4 1 1 A 114 114 MET CA C 92 53.390 56.221 -2.831 1
1 1053 . 4 1 1 A 114 114 MET CB C 92 33.450 31.037 2.413 1
1 1055 . 4 1 1 A 114 114 MET N N 92 116.930 116.816 0.114 1
1 1056 . 4 1 1 A 115 115 LEU H H 93 8.990 8.127 0.863 1
1 1057 . 4 1 1 A 115 115 LEU HA H 93 4.550 5.001 -0.451 1
1 1067 . 4 1 1 A 115 115 LEU C C 93 176.630 175.634 0.996 1
1 1068 . 4 1 1 A 115 115 LEU CA C 93 55.140 54.109 1.031 1
1 1069 . 4 1 1 A 115 115 LEU CB C 93 44.810 42.496 2.314 1
1 1073 . 4 1 1 A 115 115 LEU N N 93 122.250 117.717 4.533 1
1 1074 . 4 1 1 A 116 116 GLN H H 94 8.280 8.194 0.086 1
1 1075 . 4 1 1 A 116 116 GLN HA H 94 4.700 4.650 0.050 1
1 1080 . 4 1 1 A 116 116 GLN C C 94 174.860 174.119 0.741 1
1 1081 . 4 1 1 A 116 116 GLN CA C 94 55.600 55.852 -0.252 1
1 1082 . 4 1 1 A 116 116 GLN CB C 94 33.510 33.035 0.475 1
1 1083 . 4 1 1 A 116 116 GLN N N 94 121.140 123.356 -2.216 1
1 1085 . 4 1 1 A 117 117 GLN H H 95 8.490 8.602 -0.112 1
1 1086 . 4 1 1 A 117 117 GLN HA H 95 4.080 4.559 -0.479 1
1 1093 . 4 1 1 A 117 117 GLN CA C 95 54.860 53.803 1.057 1
1 1094 . 4 1 1 A 117 117 GLN CB C 95 26.550 28.514 -1.964 1
1 1096 . 4 1 1 A 117 117 GLN N N 95 125.610 124.986 0.624 1
1 1098 . 4 1 1 A 118 118 PRO HA H 96 4.410 5.050 -0.640 1
1 1103 . 4 1 1 A 118 118 PRO C C 96 176.290 175.257 1.033 1
1 1104 . 4 1 1 A 118 118 PRO CA C 96 64.130 62.511 1.619 1
1 1105 . 4 1 1 A 118 118 PRO CB C 96 30.550 30.477 0.073 1
1 1107 . 4 1 1 A 119 119 ALA H H 97 8.980 8.215 0.765 1
1 1108 . 4 1 1 A 119 119 ALA HA H 97 4.550 4.830 -0.280 1
1 1112 . 4 1 1 A 119 119 ALA C C 97 175.820 175.030 0.790 1
1 1113 . 4 1 1 A 119 119 ALA CA C 97 51.100 50.160 0.940 1
1 1114 . 4 1 1 A 119 119 ALA CB C 97 22.150 23.407 -1.257 1
1 1115 . 4 1 1 A 119 119 ALA N N 97 126.580 125.724 0.856 1
1 1116 . 4 1 1 A 120 120 LYS H H 98 8.710 8.339 0.371 1
1 1117 . 4 1 1 A 120 120 LYS HA H 98 4.450 4.486 -0.036 1
1 1126 . 4 1 1 A 120 120 LYS C C 98 175.950 175.713 0.237 1
1 1127 . 4 1 1 A 120 120 LYS CA C 98 56.360 56.197 0.163 1
1 1128 . 4 1 1 A 120 120 LYS CB C 98 32.090 33.011 -0.921 1
1 1132 . 4 1 1 A 120 120 LYS N N 98 121.330 120.187 1.143 1
1 1133 . 4 1 1 A 121 121 MET H H 99 8.130 8.558 -0.428 1
1 1138 . 4 1 1 A 121 121 MET N N 99 125.590 126.092 -0.502 1
1 1139 . 4 1 1 A 122 122 GLU HA H 100 3.890 3.765 0.125 1
1 1144 . 4 1 1 A 122 122 GLU C C 100 176.450 177.394 -0.944 1
1 1145 . 4 1 1 A 122 122 GLU CA C 100 59.740 59.299 0.441 1
1 1146 . 4 1 1 A 122 122 GLU CB C 100 29.200 28.736 0.464 1
1 1148 . 4 1 1 A 123 123 PHE H H 101 6.120 7.434 -1.314 1
1 1149 . 4 1 1 A 123 123 PHE HA H 101 4.430 4.343 0.087 1
1 1152 . 4 1 1 A 123 123 PHE C C 101 173.950 175.472 -1.522 1
1 1153 . 4 1 1 A 123 123 PHE CA C 101 54.750 57.928 -3.178 1
1 1154 . 4 1 1 A 123 123 PHE CB C 101 38.630 39.205 -0.575 1
1 1155 . 4 1 1 A 123 123 PHE N N 101 108.900 114.858 -5.958 1
1 1156 . 4 1 1 A 124 124 GLY H H 102 6.670 7.251 -0.581 1
1 1157 . 4 1 1 A 124 124 GLY HA2 H 102 4.780 4.028 0.752 1
1 1158 . 4 1 1 A 124 124 GLY HA3 H 102 3.770 4.071 -0.301 1
1 1159 . 4 1 1 A 124 124 GLY C C 102 170.410 172.454 -2.044 1
1 1160 . 4 1 1 A 124 124 GLY CA C 102 44.570 43.751 0.819 1
1 1161 . 4 1 1 A 124 124 GLY N N 102 108.900 107.422 1.478 1
1 1162 . 4 1 1 A 125 125 TYR H H 103 8.210 8.260 -0.050 1
1 1163 . 4 1 1 A 125 125 TYR HA H 103 5.080 5.146 -0.066 1
1 1170 . 4 1 1 A 125 125 TYR C C 103 175.980 174.852 1.128 1
1 1171 . 4 1 1 A 125 125 TYR CA C 103 56.530 57.084 -0.554 1
1 1172 . 4 1 1 A 125 125 TYR CB C 103 40.180 39.190 0.990 1
1 1175 . 4 1 1 A 125 125 TYR N N 103 123.360 121.982 1.378 1
1 1176 . 4 1 1 A 126 126 THR H H 104 8.450 8.400 0.050 1
1 1177 . 4 1 1 A 126 126 THR HA H 104 5.630 5.138 0.492 1
1 1182 . 4 1 1 A 126 126 THR C C 104 170.010 172.307 -2.297 1
1 1183 . 4 1 1 A 126 126 THR CA C 104 58.490 60.323 -1.833 1
1 1184 . 4 1 1 A 126 126 THR CB C 104 72.110 70.490 1.620 1
1 1186 . 4 1 1 A 126 126 THR N N 104 120.720 121.757 -1.037 1
1 1187 . 4 1 1 A 127 127 PHE H H 105 8.170 8.699 -0.529 1
1 1188 . 4 1 1 A 127 127 PHE HA H 105 4.620 5.444 -0.824 1
1 1195 . 4 1 1 A 127 127 PHE C C 105 172.490 172.735 -0.245 1
1 1196 . 4 1 1 A 127 127 PHE CA C 105 56.610 55.952 0.658 1
1 1197 . 4 1 1 A 127 127 PHE CB C 105 41.710 41.649 0.061 1
1 1200 . 4 1 1 A 127 127 PHE N N 105 120.530 119.351 1.179 1
1 1201 . 4 1 1 A 128 128 THR H H 106 8.450 9.049 -0.599 1
1 1202 . 4 1 1 A 128 128 THR HA H 106 5.090 5.471 -0.381 1
1 1207 . 4 1 1 A 128 128 THR C C 106 172.750 173.894 -1.144 1
1 1208 . 4 1 1 A 128 128 THR CA C 106 63.340 61.213 2.127 1
1 1209 . 4 1 1 A 128 128 THR CB C 106 70.420 72.263 -1.843 1
1 1211 . 4 1 1 A 128 128 THR N N 106 114.010 114.625 -0.615 1
1 1212 . 4 1 1 A 129 129 ALA H H 107 10.030 9.160 0.870 1
1 1213 . 4 1 1 A 129 129 ALA HA H 107 5.540 5.502 0.038 1
1 1217 . 4 1 1 A 129 129 ALA C C 107 179.620 175.934 3.686 1
1 1218 . 4 1 1 A 129 129 ALA CA C 107 50.640 50.643 -0.003 1
1 1219 . 4 1 1 A 129 129 ALA CB C 107 24.570 22.814 1.756 1
1 1220 . 4 1 1 A 129 129 ALA N N 107 135.110 129.519 5.591 1
1 1221 . 4 1 1 A 130 130 ALA H H 108 8.650 8.654 -0.004 1
1 1222 . 4 1 1 A 130 130 ALA HA H 108 5.380 5.229 0.151 1
1 1226 . 4 1 1 A 130 130 ALA C C 108 175.480 176.603 -1.123 1
1 1227 . 4 1 1 A 130 130 ALA CA C 108 50.100 51.004 -0.904 1
1 1228 . 4 1 1 A 130 130 ALA CB C 108 22.770 21.484 1.286 1
1 1229 . 4 1 1 A 130 130 ALA N N 108 121.150 121.004 0.146 1
1 1230 . 4 1 1 A 131 131 ASP H H 109 8.770 8.862 -0.092 1
1 1231 . 4 1 1 A 131 131 ASP HA H 109 3.910 4.351 -0.441 1
1 1234 . 4 1 1 A 131 131 ASP CA C 109 51.290 52.298 -1.008 1
1 1235 . 4 1 1 A 131 131 ASP CB C 109 41.350 40.790 0.560 1
1 1236 . 4 1 1 A 131 131 ASP N N 109 123.100 124.618 -1.518 1
1 1237 . 4 1 1 A 132 132 PRO HA H 110 4.140 4.079 0.061 1
1 1242 . 4 1 1 A 132 132 PRO C C 110 176.890 177.694 -0.804 1
1 1243 . 4 1 1 A 132 132 PRO CA C 110 65.730 65.695 0.035 1
1 1244 . 4 1 1 A 132 132 PRO CB C 110 31.850 31.454 0.396 1
1 1246 . 4 1 1 A 133 133 ASP H H 111 8.740 7.304 1.436 1
1 1247 . 4 1 1 A 133 133 ASP HA H 111 4.800 4.582 0.218 1
1 1250 . 4 1 1 A 133 133 ASP C C 111 173.720 175.210 -1.490 1
1 1251 . 4 1 1 A 133 133 ASP CA C 111 54.140 53.854 0.286 1
1 1252 . 4 1 1 A 133 133 ASP CB C 111 42.910 41.171 1.739 1
1 1253 . 4 1 1 A 133 133 ASP N N 111 118.220 116.260 1.960 1
1 1254 . 4 1 1 A 134 134 SER H H 112 8.370 7.706 0.664 1
1 1255 . 4 1 1 A 134 134 SER HA H 112 3.710 4.036 -0.326 1
1 1258 . 4 1 1 A 134 134 SER CA C 112 60.670 58.669 2.001 1
1 1259 . 4 1 1 A 134 134 SER CB C 112 61.430 61.606 -0.176 1
1 1260 . 4 1 1 A 134 134 SER N N 112 109.220 112.944 -3.724 1
1 1261 . 4 1 1 A 135 135 HIS H H 113 8.850 8.162 0.688 1
1 1268 . 4 1 1 A 135 135 HIS N N 113 122.820 121.213 1.607 1
1 1269 . 4 1 1 A 136 136 ARG HA H 114 4.680 4.464 0.216 1
1 1270 . 4 1 1 A 136 136 ARG C C 114 175.220 174.984 0.236 1
1 1271 . 4 1 1 A 136 136 ARG CA C 114 57.560 56.083 1.477 1
1 1272 . 4 1 1 A 137 137 LEU H H 115 8.680 9.043 -0.363 1
1 1273 . 4 1 1 A 137 137 LEU HA H 115 5.490 5.252 0.238 1
1 1282 . 4 1 1 A 137 137 LEU C C 115 174.620 175.239 -0.619 1
1 1283 . 4 1 1 A 137 137 LEU CA C 115 52.580 54.442 -1.862 1
1 1284 . 4 1 1 A 137 137 LEU CB C 115 43.070 41.948 1.122 1
1 1287 . 4 1 1 A 137 137 LEU N N 115 123.990 128.372 -4.382 1
1 1288 . 4 1 1 A 138 138 ARG H H 116 9.510 9.240 0.270 1
1 1289 . 4 1 1 A 138 138 ARG HA H 116 5.120 4.662 0.458 1
1 1292 . 4 1 1 A 138 138 ARG C C 116 175.090 174.716 0.374 1
1 1293 . 4 1 1 A 138 138 ARG CA C 116 54.700 55.380 -0.680 1
1 1294 . 4 1 1 A 138 138 ARG CB C 116 33.480 31.120 2.360 1
1 1295 . 4 1 1 A 138 138 ARG N N 116 125.370 126.075 -0.705 1
1 1296 . 4 1 1 A 139 139 VAL H H 117 7.970 8.088 -0.118 1
1 1297 . 4 1 1 A 139 139 VAL HA H 117 5.280 5.042 0.238 1
1 1305 . 4 1 1 A 139 139 VAL C C 117 176.390 174.853 1.537 1
1 1306 . 4 1 1 A 139 139 VAL CA C 117 60.090 61.161 -1.071 1
1 1307 . 4 1 1 A 139 139 VAL CB C 117 32.690 31.831 0.859 1
1 1310 . 4 1 1 A 139 139 VAL N N 117 128.260 126.910 1.350 1
1 1311 . 4 1 1 A 140 140 TYR H H 118 9.200 8.702 0.498 1
1 1312 . 4 1 1 A 140 140 TYR HA H 118 5.800 5.545 0.255 1
1 1319 . 4 1 1 A 140 140 TYR C C 118 170.820 173.211 -2.391 1
1 1320 . 4 1 1 A 140 140 TYR CA C 118 56.060 55.186 0.874 1
1 1321 . 4 1 1 A 140 140 TYR CB C 118 42.460 41.560 0.900 1
1 1324 . 4 1 1 A 140 140 TYR N N 118 127.020 124.198 2.822 1
1 1325 . 4 1 1 A 141 141 ALA H H 119 8.330 9.152 -0.822 1
1 1326 . 4 1 1 A 141 141 ALA HA H 119 4.560 5.152 -0.592 1
1 1330 . 4 1 1 A 141 141 ALA C C 119 177.150 176.169 0.981 1
1 1331 . 4 1 1 A 141 141 ALA CA C 119 50.530 50.687 -0.157 1
1 1332 . 4 1 1 A 141 141 ALA CB C 119 21.220 20.997 0.223 1
1 1333 . 4 1 1 A 141 141 ALA N N 119 121.160 122.709 -1.549 1
1 1334 . 4 1 1 A 142 142 PHE H H 120 8.780 9.234 -0.454 1
1 1335 . 4 1 1 A 142 142 PHE HA H 120 4.910 5.409 -0.499 1
1 1340 . 4 1 1 A 142 142 PHE C C 120 175.090 174.190 0.900 1
1 1341 . 4 1 1 A 142 142 PHE CA C 120 57.720 58.516 -0.796 1
1 1342 . 4 1 1 A 142 142 PHE CB C 120 40.810 40.122 0.688 1
1 1344 . 4 1 1 A 142 142 PHE N N 120 122.630 126.604 -3.974 1
1 1345 . 4 1 1 A 143 143 ALA H H 121 8.190 8.275 -0.085 1
1 1346 . 4 1 1 A 143 143 ALA HA H 121 4.330 4.626 -0.296 1
1 1350 . 4 1 1 A 143 143 ALA C C 121 176.260 177.603 -1.343 1
1 1351 . 4 1 1 A 143 143 ALA CA C 121 52.280 51.882 0.398 1
1 1352 . 4 1 1 A 143 143 ALA CB C 121 19.310 18.806 0.504 1
1 1353 . 4 1 1 A 143 143 ALA N N 121 129.460 129.039 0.421 1
1 16 . 5 1 1 A 24 24 THR H H 2 8.350 7.438 0.912 1
1 17 . 5 1 1 A 24 24 THR HA H 2 4.470 5.095 -0.625 1
1 22 . 5 1 1 A 24 24 THR CA C 2 61.890 61.320 0.570 1
1 23 . 5 1 1 A 24 24 THR CB C 2 69.630 72.718 -3.088 1
1 25 . 5 1 1 A 24 24 THR N N 2 117.720 111.322 6.398 1
1 26 . 5 1 1 A 25 25 HIS H H 3 8.630 9.079 -0.449 1
1 27 . 5 1 1 A 25 25 HIS HA H 3 5.200 5.124 0.076 1
1 30 . 5 1 1 A 25 25 HIS CA C 3 51.620 53.481 -1.861 1
1 31 . 5 1 1 A 25 25 HIS CB C 3 33.320 33.236 0.084 1
1 32 . 5 1 1 A 25 25 HIS N N 3 124.890 122.634 2.256 1
1 33 . 5 1 1 A 26 26 PRO HA H 4 4.170 4.831 -0.661 1
1 40 . 5 1 1 A 26 26 PRO C C 4 175.740 176.668 -0.928 1
1 41 . 5 1 1 A 26 26 PRO CA C 4 62.740 62.077 0.663 1
1 42 . 5 1 1 A 26 26 PRO CB C 4 31.460 29.982 1.478 1
1 45 . 5 1 1 A 27 27 ASP H H 5 8.270 8.681 -0.411 1
1 46 . 5 1 1 A 27 27 ASP HA H 5 4.810 4.764 0.046 1
1 49 . 5 1 1 A 27 27 ASP C C 5 175.400 175.594 -0.194 1
1 50 . 5 1 1 A 27 27 ASP CA C 5 53.310 53.692 -0.382 1
1 51 . 5 1 1 A 27 27 ASP CB C 5 42.390 40.774 1.616 1
1 52 . 5 1 1 A 27 27 ASP N N 5 119.440 121.303 -1.863 1
1 53 . 5 1 1 A 28 28 PHE H H 6 7.280 7.757 -0.477 1
1 54 . 5 1 1 A 28 28 PHE HA H 6 5.440 4.966 0.474 1
1 61 . 5 1 1 A 28 28 PHE C C 6 174.180 173.465 0.715 1
1 62 . 5 1 1 A 28 28 PHE CA C 6 54.590 56.691 -2.101 1
1 63 . 5 1 1 A 28 28 PHE CB C 6 42.310 42.572 -0.262 1
1 66 . 5 1 1 A 28 28 PHE N N 6 118.410 120.288 -1.878 1
1 67 . 5 1 1 A 29 29 THR H H 7 8.500 9.156 -0.656 1
1 68 . 5 1 1 A 29 29 THR HA H 7 4.800 5.063 -0.263 1
1 73 . 5 1 1 A 29 29 THR C C 7 172.280 173.006 -0.726 1
1 74 . 5 1 1 A 29 29 THR CA C 7 62.550 60.139 2.411 1
1 75 . 5 1 1 A 29 29 THR CB C 7 70.420 71.838 -1.418 1
1 77 . 5 1 1 A 29 29 THR N N 7 123.070 121.368 1.702 1
1 78 . 5 1 1 A 30 30 ILE H H 8 9.270 9.009 0.261 1
1 79 . 5 1 1 A 30 30 ILE HA H 8 4.680 4.650 0.030 1
1 89 . 5 1 1 A 30 30 ILE C C 8 173.970 174.871 -0.901 1
1 90 . 5 1 1 A 30 30 ILE CA C 8 59.220 59.708 -0.488 1
1 91 . 5 1 1 A 30 30 ILE CB C 8 40.210 41.412 -1.202 1
1 95 . 5 1 1 A 30 30 ILE N N 8 126.920 127.243 -0.323 1
1 96 . 5 1 1 A 31 31 LEU H H 9 8.760 8.704 0.056 1
1 97 . 5 1 1 A 31 31 LEU HA H 9 4.330 4.454 -0.124 1
1 107 . 5 1 1 A 31 31 LEU C C 9 176.520 175.388 1.132 1
1 108 . 5 1 1 A 31 31 LEU CA C 9 52.960 54.175 -1.215 1
1 109 . 5 1 1 A 31 31 LEU CB C 9 41.820 42.184 -0.364 1
1 113 . 5 1 1 A 31 31 LEU N N 9 126.000 128.081 -2.081 1
1 114 . 5 1 1 A 32 32 TYR H H 10 8.190 8.805 -0.615 1
1 115 . 5 1 1 A 32 32 TYR HA H 10 5.980 4.834 1.146 1
1 118 . 5 1 1 A 32 32 TYR C C 10 177.720 174.755 2.965 1
1 119 . 5 1 1 A 32 32 TYR CA C 10 53.120 56.441 -3.321 1
1 120 . 5 1 1 A 32 32 TYR CB C 10 36.560 38.892 -2.332 1
1 121 . 5 1 1 A 32 32 TYR N N 10 122.130 125.972 -3.842 1
1 122 . 5 1 1 A 33 33 VAL H H 11 8.470 8.784 -0.314 1
1 123 . 5 1 1 A 33 33 VAL HA H 11 4.990 5.340 -0.350 1
1 131 . 5 1 1 A 33 33 VAL C C 11 176.030 175.473 0.557 1
1 132 . 5 1 1 A 33 33 VAL CA C 11 58.240 59.399 -1.159 1
1 133 . 5 1 1 A 33 33 VAL CB C 11 35.090 34.754 0.336 1
1 136 . 5 1 1 A 33 33 VAL N N 11 113.820 122.288 -8.468 1
1 137 . 5 1 1 A 34 34 ASP H H 12 9.750 9.235 0.515 1
1 138 . 5 1 1 A 34 34 ASP HA H 12 4.550 4.847 -0.297 1
1 141 . 5 1 1 A 34 34 ASP C C 12 177.230 175.779 1.451 1
1 142 . 5 1 1 A 34 34 ASP CA C 12 58.000 55.649 2.351 1
1 143 . 5 1 1 A 34 34 ASP CB C 12 42.780 43.095 -0.315 1
1 144 . 5 1 1 A 34 34 ASP N N 12 124.140 121.709 2.431 1
1 145 . 5 1 1 A 35 35 ASN H H 13 9.250 8.015 1.235 1
1 146 . 5 1 1 A 35 35 ASN HA H 13 5.120 5.009 0.111 1
1 151 . 5 1 1 A 35 35 ASN CA C 13 50.610 50.319 0.291 1
1 152 . 5 1 1 A 35 35 ASN CB C 13 39.920 39.559 0.361 1
1 153 . 5 1 1 A 35 35 ASN N N 13 114.460 117.483 -3.023 1
1 155 . 5 1 1 A 37 37 PRO HA H 15 4.350 4.275 0.075 1
1 162 . 5 1 1 A 37 37 PRO C C 15 179.310 179.449 -0.139 1
1 163 . 5 1 1 A 37 37 PRO CA C 15 67.480 66.701 0.779 1
1 164 . 5 1 1 A 37 37 PRO CB C 15 31.340 30.872 0.468 1
1 167 . 5 1 1 A 38 38 ALA H H 16 7.740 8.163 -0.423 1
1 168 . 5 1 1 A 38 38 ALA HA H 16 4.310 4.067 0.243 1
1 172 . 5 1 1 A 38 38 ALA C C 16 182.490 179.607 2.883 1
1 173 . 5 1 1 A 38 38 ALA CA C 16 55.160 55.395 -0.235 1
1 174 . 5 1 1 A 38 38 ALA CB C 16 18.360 18.337 0.023 1
1 175 . 5 1 1 A 38 38 ALA N N 16 121.510 119.523 1.987 1
1 176 . 5 1 1 A 39 39 SER H H 17 8.770 8.035 0.735 1
1 177 . 5 1 1 A 39 39 SER HA H 17 4.190 4.371 -0.181 1
1 180 . 5 1 1 A 39 39 SER C C 17 175.610 177.660 -2.050 1
1 181 . 5 1 1 A 39 39 SER CA C 17 64.260 61.611 2.649 1
1 182 . 5 1 1 A 39 39 SER CB C 17 62.790 62.394 0.396 1
1 183 . 5 1 1 A 39 39 SER N N 17 117.520 113.078 4.442 1
1 184 . 5 1 1 A 40 40 THR H H 18 9.310 8.022 1.288 1
1 185 . 5 1 1 A 40 40 THR HA H 18 4.480 4.350 0.130 1
1 190 . 5 1 1 A 40 40 THR C C 18 175.590 177.043 -1.453 1
1 191 . 5 1 1 A 40 40 THR CA C 18 68.130 66.991 1.139 1
1 192 . 5 1 1 A 40 40 THR CB C 18 68.480 68.364 0.116 1
1 194 . 5 1 1 A 40 40 THR N N 18 120.600 116.532 4.068 1
1 195 . 5 1 1 A 41 41 GLN H H 19 7.610 8.279 -0.669 1
1 196 . 5 1 1 A 41 41 GLN HA H 19 4.080 4.066 0.014 1
1 203 . 5 1 1 A 41 41 GLN C C 19 178.110 178.571 -0.461 1
1 204 . 5 1 1 A 41 41 GLN CA C 19 59.170 59.263 -0.093 1
1 205 . 5 1 1 A 41 41 GLN CB C 19 28.170 28.607 -0.437 1
1 207 . 5 1 1 A 41 41 GLN N N 19 120.130 120.613 -0.483 1
1 209 . 5 1 1 A 42 42 PHE H H 20 7.710 7.879 -0.169 1
1 210 . 5 1 1 A 42 42 PHE HA H 20 4.080 4.154 -0.074 1
1 218 . 5 1 1 A 42 42 PHE C C 20 177.460 177.015 0.445 1
1 219 . 5 1 1 A 42 42 PHE CA C 20 61.760 61.274 0.486 1
1 220 . 5 1 1 A 42 42 PHE CB C 20 38.590 38.710 -0.120 1
1 224 . 5 1 1 A 42 42 PHE N N 20 120.560 122.466 -1.906 1
1 225 . 5 1 1 A 43 43 TYR H H 21 8.890 7.989 0.901 1
1 226 . 5 1 1 A 43 43 TYR HA H 21 3.700 4.180 -0.480 1
1 233 . 5 1 1 A 43 43 TYR C C 21 177.640 178.260 -0.620 1
1 234 . 5 1 1 A 43 43 TYR CA C 21 64.290 61.583 2.707 1
1 235 . 5 1 1 A 43 43 TYR CB C 21 38.110 37.730 0.380 1
1 238 . 5 1 1 A 43 43 TYR N N 21 118.420 117.841 0.579 1
1 239 . 5 1 1 A 44 44 LYS H H 22 8.860 8.267 0.593 1
1 240 . 5 1 1 A 44 44 LYS HA H 22 4.630 3.952 0.678 1
1 249 . 5 1 1 A 44 44 LYS C C 22 179.780 178.867 0.913 1
1 250 . 5 1 1 A 44 44 LYS CA C 22 59.630 59.562 0.068 1
1 251 . 5 1 1 A 44 44 LYS CB C 22 33.210 32.411 0.799 1
1 255 . 5 1 1 A 44 44 LYS N N 22 122.200 120.083 2.117 1
1 256 . 5 1 1 A 45 45 ALA H H 23 7.180 7.413 -0.233 1
1 257 . 5 1 1 A 45 45 ALA HA H 23 4.040 3.991 0.049 1
1 261 . 5 1 1 A 45 45 ALA C C 23 179.130 179.977 -0.847 1
1 262 . 5 1 1 A 45 45 ALA CA C 23 54.350 54.680 -0.330 1
1 263 . 5 1 1 A 45 45 ALA CB C 23 18.030 18.240 -0.210 1
1 264 . 5 1 1 A 45 45 ALA N N 23 120.710 122.000 -1.290 1
1 265 . 5 1 1 A 46 46 LEU H H 24 7.510 7.585 -0.075 1
1 266 . 5 1 1 A 46 46 LEU HA H 24 3.550 3.849 -0.299 1
1 276 . 5 1 1 A 46 46 LEU C C 24 178.680 178.169 0.511 1
1 277 . 5 1 1 A 46 46 LEU CA C 24 57.910 56.915 0.995 1
1 278 . 5 1 1 A 46 46 LEU CB C 24 43.950 40.981 2.969 1
1 282 . 5 1 1 A 46 46 LEU N N 24 118.650 120.063 -1.413 1
1 283 . 5 1 1 A 47 47 LEU H H 25 8.800 7.608 1.192 1
1 284 . 5 1 1 A 47 47 LEU HA H 25 4.480 4.519 -0.039 1
1 294 . 5 1 1 A 47 47 LEU C C 25 178.960 177.742 1.218 1
1 295 . 5 1 1 A 47 47 LEU CA C 25 55.010 55.175 -0.165 1
1 296 . 5 1 1 A 47 47 LEU CB C 25 42.500 43.346 -0.846 1
1 300 . 5 1 1 A 47 47 LEU N N 25 112.540 117.181 -4.641 1
1 301 . 5 1 1 A 48 48 GLY H H 26 7.810 8.183 -0.373 1
1 302 . 5 1 1 A 48 48 GLY HA2 H 26 4.030 3.873 0.157 1
1 303 . 5 1 1 A 48 48 GLY HA3 H 26 3.900 3.895 0.005 1
1 304 . 5 1 1 A 48 48 GLY C C 26 173.560 173.991 -0.431 1
1 305 . 5 1 1 A 48 48 GLY CA C 26 46.810 46.268 0.542 1
1 306 . 5 1 1 A 48 48 GLY N N 26 107.650 107.325 0.325 1
1 307 . 5 1 1 A 49 49 VAL H H 27 7.100 7.245 -0.145 1
1 308 . 5 1 1 A 49 49 VAL HA H 27 4.700 4.750 -0.050 1
1 316 . 5 1 1 A 49 49 VAL C C 27 172.980 174.023 -1.043 1
1 317 . 5 1 1 A 49 49 VAL CA C 27 58.680 58.899 -0.219 1
1 318 . 5 1 1 A 49 49 VAL CB C 27 36.090 35.326 0.764 1
1 321 . 5 1 1 A 49 49 VAL N N 27 110.770 115.033 -4.263 1
1 322 . 5 1 1 A 50 50 ASP H H 28 8.100 8.818 -0.718 1
1 323 . 5 1 1 A 50 50 ASP HA H 28 4.930 5.247 -0.317 1
1 326 . 5 1 1 A 50 50 ASP CA C 28 52.550 51.302 1.248 1
1 327 . 5 1 1 A 50 50 ASP CB C 28 40.520 42.566 -2.046 1
1 328 . 5 1 1 A 50 50 ASP N N 28 119.760 120.554 -0.794 1
1 329 . 5 1 1 A 51 51 PRO HA H 29 3.700 4.893 -1.193 1
1 336 . 5 1 1 A 51 51 PRO C C 29 176.580 177.773 -1.193 1
1 337 . 5 1 1 A 51 51 PRO CA C 29 62.900 62.921 -0.021 1
1 338 . 5 1 1 A 51 51 PRO CB C 29 30.550 31.801 -1.251 1
1 341 . 5 1 1 A 52 52 VAL H H 30 8.340 8.845 -0.505 1
1 342 . 5 1 1 A 52 52 VAL HA H 30 4.080 3.984 0.096 1
1 350 . 5 1 1 A 52 52 VAL C C 30 176.190 175.985 0.205 1
1 351 . 5 1 1 A 52 52 VAL CA C 30 62.790 64.104 -1.314 1
1 352 . 5 1 1 A 52 52 VAL CB C 30 32.280 32.331 -0.051 1
1 355 . 5 1 1 A 52 52 VAL N N 30 117.320 125.398 -8.078 1
1 356 . 5 1 1 A 53 53 GLU H H 31 7.170 7.974 -0.804 1
1 357 . 5 1 1 A 53 53 GLU HA H 31 4.580 4.618 -0.038 1
1 362 . 5 1 1 A 53 53 GLU C C 31 174.940 175.257 -0.317 1
1 363 . 5 1 1 A 53 53 GLU CA C 31 55.330 55.274 0.056 1
1 364 . 5 1 1 A 53 53 GLU CB C 31 33.370 30.265 3.105 1
1 366 . 5 1 1 A 53 53 GLU N N 31 118.180 120.265 -2.085 1
1 367 . 5 1 1 A 54 54 SER H H 32 8.650 8.717 -0.067 1
1 368 . 5 1 1 A 54 54 SER HA H 32 5.130 5.126 0.004 1
1 371 . 5 1 1 A 54 54 SER C C 32 171.990 173.749 -1.759 1
1 372 . 5 1 1 A 54 54 SER CA C 32 57.940 57.192 0.748 1
1 373 . 5 1 1 A 54 54 SER CB C 32 64.720 64.567 0.153 1
1 374 . 5 1 1 A 54 54 SER N N 32 117.210 119.912 -2.702 1
1 375 . 5 1 1 A 55 55 SER H H 33 8.760 8.387 0.373 1
1 376 . 5 1 1 A 55 55 SER N N 33 124.420 119.071 5.349 1
1 377 . 5 1 1 A 56 56 PRO HA H 34 4.320 4.375 -0.055 1
1 382 . 5 1 1 A 56 56 PRO C C 34 177.290 177.147 0.143 1
1 383 . 5 1 1 A 56 56 PRO CA C 34 65.750 65.151 0.599 1
1 384 . 5 1 1 A 56 56 PRO CB C 34 32.490 31.631 0.859 1
1 386 . 5 1 1 A 57 57 THR H H 35 7.810 8.045 -0.235 1
1 387 . 5 1 1 A 57 57 THR HA H 35 4.630 4.696 -0.066 1
1 392 . 5 1 1 A 57 57 THR C C 35 174.080 173.522 0.558 1
1 393 . 5 1 1 A 57 57 THR CA C 35 61.860 61.196 0.664 1
1 394 . 5 1 1 A 57 57 THR CB C 35 70.940 69.689 1.251 1
1 396 . 5 1 1 A 57 57 THR N N 35 101.710 109.997 -8.287 1
1 397 . 5 1 1 A 58 58 PHE H H 36 7.670 7.210 0.460 1
1 398 . 5 1 1 A 58 58 PHE HA H 36 5.780 4.678 1.102 1
1 405 . 5 1 1 A 58 58 PHE CA C 36 57.820 57.985 -0.165 1
1 406 . 5 1 1 A 58 58 PHE CB C 36 43.010 42.345 0.665 1
1 409 . 5 1 1 A 58 58 PHE N N 36 124.370 122.151 2.219 1
1 410 . 5 1 1 A 59 59 SER H H 37 8.070 7.820 0.250 1
1 411 . 5 1 1 A 59 59 SER HA H 37 4.890 5.231 -0.341 1
1 414 . 5 1 1 A 59 59 SER C C 37 170.010 172.036 -2.026 1
1 415 . 5 1 1 A 59 59 SER CA C 37 56.660 56.584 0.076 1
1 416 . 5 1 1 A 59 59 SER CB C 37 67.490 65.333 2.157 1
1 417 . 5 1 1 A 59 59 SER N N 37 122.930 120.810 2.120 1
1 418 . 5 1 1 A 60 60 LEU H H 38 8.140 8.257 -0.117 1
1 419 . 5 1 1 A 60 60 LEU HA H 38 4.810 4.607 0.203 1
1 429 . 5 1 1 A 60 60 LEU C C 38 174.000 174.879 -0.879 1
1 430 . 5 1 1 A 60 60 LEU CA C 38 53.750 54.237 -0.487 1
1 431 . 5 1 1 A 60 60 LEU CB C 38 47.250 45.766 1.484 1
1 435 . 5 1 1 A 60 60 LEU N N 38 122.030 125.837 -3.807 1
1 436 . 5 1 1 A 61 61 PHE H H 39 9.460 8.165 1.295 1
1 437 . 5 1 1 A 61 61 PHE HA H 39 4.580 5.757 -1.177 1
1 444 . 5 1 1 A 61 61 PHE C C 39 174.390 173.396 0.994 1
1 445 . 5 1 1 A 61 61 PHE CA C 39 57.180 54.955 2.225 1
1 446 . 5 1 1 A 61 61 PHE CB C 39 41.570 42.678 -1.108 1
1 449 . 5 1 1 A 61 61 PHE N N 39 124.820 122.544 2.276 1
1 450 . 5 1 1 A 62 62 VAL H H 40 8.640 9.045 -0.405 1
1 451 . 5 1 1 A 62 62 VAL HA H 40 4.260 4.810 -0.550 1
1 459 . 5 1 1 A 62 62 VAL C C 40 175.380 175.175 0.205 1
1 460 . 5 1 1 A 62 62 VAL CA C 40 62.520 60.585 1.935 1
1 461 . 5 1 1 A 62 62 VAL CB C 40 32.470 34.346 -1.876 1
1 464 . 5 1 1 A 62 62 VAL N N 40 122.650 121.464 1.186 1
1 465 . 5 1 1 A 63 63 LEU H H 41 8.710 8.592 0.118 1
1 466 . 5 1 1 A 63 63 LEU HA H 41 4.590 4.700 -0.110 1
1 476 . 5 1 1 A 63 63 LEU CA C 41 53.560 53.613 -0.053 1
1 477 . 5 1 1 A 63 63 LEU CB C 41 41.600 43.099 -1.499 1
1 481 . 5 1 1 A 63 63 LEU N N 41 126.170 126.979 -0.809 1
1 482 . 5 1 1 A 64 64 ALA HA H 42 4.040 4.012 0.028 1
1 486 . 5 1 1 A 64 64 ALA CA C 42 55.050 54.849 0.201 1
1 487 . 5 1 1 A 64 64 ALA CB C 42 18.580 18.397 0.183 1
1 488 . 5 1 1 A 65 65 ASN H H 43 7.680 7.959 -0.279 1
1 489 . 5 1 1 A 65 65 ASN HA H 43 4.520 4.693 -0.173 1
1 494 . 5 1 1 A 65 65 ASN C C 43 175.860 175.480 0.380 1
1 495 . 5 1 1 A 65 65 ASN CA C 43 52.530 53.340 -0.810 1
1 496 . 5 1 1 A 65 65 ASN CB C 43 37.800 38.664 -0.864 1
1 497 . 5 1 1 A 65 65 ASN N N 43 112.130 114.722 -2.592 1
1 499 . 5 1 1 A 66 66 GLY H H 44 8.070 7.852 0.218 1
1 500 . 5 1 1 A 66 66 GLY HA2 H 44 4.330 3.931 0.399 1
1 501 . 5 1 1 A 66 66 GLY HA3 H 44 3.480 3.936 -0.456 1
1 502 . 5 1 1 A 66 66 GLY C C 44 174.260 174.407 -0.147 1
1 503 . 5 1 1 A 66 66 GLY CA C 44 44.930 45.032 -0.102 1
1 504 . 5 1 1 A 66 66 GLY N N 44 107.650 105.989 1.661 1
1 505 . 5 1 1 A 67 67 MET H H 45 7.900 7.971 -0.071 1
1 506 . 5 1 1 A 67 67 MET HA H 45 4.420 4.546 -0.126 1
1 514 . 5 1 1 A 67 67 MET CA C 45 55.520 55.751 -0.231 1
1 515 . 5 1 1 A 67 67 MET CB C 45 33.630 33.817 -0.187 1
1 518 . 5 1 1 A 67 67 MET N N 45 121.850 119.859 1.991 1
1 519 . 5 1 1 A 68 68 LYS HA H 46 5.040 5.000 0.040 1
1 528 . 5 1 1 A 68 68 LYS C C 46 174.600 174.163 0.437 1
1 529 . 5 1 1 A 68 68 LYS CA C 46 55.410 54.638 0.772 1
1 530 . 5 1 1 A 68 68 LYS CB C 46 34.460 35.722 -1.262 1
1 534 . 5 1 1 A 69 69 LEU H H 47 8.830 8.573 0.257 1
1 535 . 5 1 1 A 69 69 LEU HA H 47 5.450 5.391 0.059 1
1 545 . 5 1 1 A 69 69 LEU C C 47 174.880 175.374 -0.494 1
1 546 . 5 1 1 A 69 69 LEU CA C 47 52.980 53.753 -0.773 1
1 547 . 5 1 1 A 69 69 LEU CB C 47 46.560 45.149 1.411 1
1 551 . 5 1 1 A 69 69 LEU N N 47 124.960 126.929 -1.969 1
1 552 . 5 1 1 A 70 70 GLY H H 48 9.580 9.348 0.232 1
1 553 . 5 1 1 A 70 70 GLY HA2 H 48 5.220 3.947 1.273 1
1 554 . 5 1 1 A 70 70 GLY HA3 H 48 3.090 4.198 -1.108 1
1 555 . 5 1 1 A 70 70 GLY C C 48 170.590 172.257 -1.667 1
1 556 . 5 1 1 A 70 70 GLY CA C 48 43.370 44.057 -0.687 1
1 557 . 5 1 1 A 70 70 GLY N N 48 113.940 114.151 -0.211 1
1 558 . 5 1 1 A 71 71 LEU H H 49 8.250 8.075 0.175 1
1 559 . 5 1 1 A 71 71 LEU HA H 49 5.150 4.987 0.163 1
1 569 . 5 1 1 A 71 71 LEU C C 49 173.920 174.403 -0.483 1
1 570 . 5 1 1 A 71 71 LEU CA C 49 52.770 53.490 -0.720 1
1 571 . 5 1 1 A 71 71 LEU CB C 49 43.100 44.211 -1.111 1
1 575 . 5 1 1 A 71 71 LEU N N 49 122.270 120.659 1.611 1
1 576 . 5 1 1 A 72 72 TRP H H 50 8.960 8.802 0.158 1
1 577 . 5 1 1 A 72 72 TRP HA H 50 5.860 5.369 0.491 1
1 584 . 5 1 1 A 72 72 TRP C C 50 175.740 175.281 0.459 1
1 585 . 5 1 1 A 72 72 TRP CA C 50 53.170 55.259 -2.089 1
1 586 . 5 1 1 A 72 72 TRP CB C 50 34.990 32.016 2.974 1
1 590 . 5 1 1 A 72 72 TRP N N 50 125.010 128.071 -3.061 1
1 592 . 5 1 1 A 73 73 SER H H 51 9.010 9.060 -0.050 1
1 593 . 5 1 1 A 73 73 SER HA H 51 4.570 4.686 -0.116 1
1 596 . 5 1 1 A 73 73 SER C C 51 176.240 175.764 0.476 1
1 597 . 5 1 1 A 73 73 SER CA C 51 58.490 58.912 -0.422 1
1 598 . 5 1 1 A 73 73 SER CB C 51 63.770 63.601 0.169 1
1 599 . 5 1 1 A 73 73 SER N N 51 120.380 124.060 -3.680 1
1 600 . 5 1 1 A 74 74 ARG H H 52 9.420 8.759 0.661 1
1 601 . 5 1 1 A 74 74 ARG HA H 52 3.460 3.804 -0.344 1
1 608 . 5 1 1 A 74 74 ARG C C 52 175.610 176.568 -0.958 1
1 609 . 5 1 1 A 74 74 ARG CA C 52 57.590 57.927 -0.337 1
1 610 . 5 1 1 A 74 74 ARG CB C 52 28.900 29.556 -0.656 1
1 613 . 5 1 1 A 74 74 ARG N N 52 128.770 123.981 4.789 1
1 614 . 5 1 1 A 75 75 HIS H H 53 7.910 7.975 -0.065 1
1 615 . 5 1 1 A 75 75 HIS HA H 53 4.310 4.569 -0.259 1
1 619 . 5 1 1 A 75 75 HIS C C 53 176.610 175.456 1.154 1
1 620 . 5 1 1 A 75 75 HIS CA C 53 57.190 56.682 0.508 1
1 621 . 5 1 1 A 75 75 HIS CB C 53 31.260 29.949 1.311 1
1 623 . 5 1 1 A 75 75 HIS N N 53 117.320 116.358 0.962 1
1 624 . 5 1 1 A 76 76 THR H H 54 7.360 7.638 -0.278 1
1 625 . 5 1 1 A 76 76 THR HA H 54 4.540 4.543 -0.003 1
1 630 . 5 1 1 A 76 76 THR C C 54 175.120 174.221 0.899 1
1 631 . 5 1 1 A 76 76 THR CA C 54 61.840 61.338 0.502 1
1 632 . 5 1 1 A 76 76 THR CB C 54 69.680 70.101 -0.421 1
1 634 . 5 1 1 A 76 76 THR N N 54 107.350 113.790 -6.440 1
1 635 . 5 1 1 A 77 77 VAL H H 55 6.630 7.386 -0.756 1
1 636 . 5 1 1 A 77 77 VAL HA H 55 2.700 3.874 -1.174 1
1 644 . 5 1 1 A 77 77 VAL C C 55 173.920 175.227 -1.307 1
1 645 . 5 1 1 A 77 77 VAL CA C 55 63.500 62.335 1.165 1
1 646 . 5 1 1 A 77 77 VAL CB C 55 31.270 32.322 -1.052 1
1 649 . 5 1 1 A 77 77 VAL N N 55 123.760 122.389 1.371 1
1 650 . 5 1 1 A 78 78 GLU H H 56 6.010 8.464 -2.454 1
1 651 . 5 1 1 A 78 78 GLU HA H 56 4.160 4.880 -0.720 1
1 656 . 5 1 1 A 78 78 GLU CA C 56 53.120 52.487 0.633 1
1 657 . 5 1 1 A 78 78 GLU CB C 56 32.240 31.360 0.880 1
1 659 . 5 1 1 A 78 78 GLU N N 56 124.820 127.375 -2.555 1
1 660 . 5 1 1 A 79 79 PRO HA H 57 4.620 4.597 0.023 1
1 667 . 5 1 1 A 79 79 PRO C C 57 176.190 176.579 -0.389 1
1 668 . 5 1 1 A 79 79 PRO CA C 57 61.890 62.461 -0.571 1
1 669 . 5 1 1 A 79 79 PRO CB C 57 33.620 32.162 1.458 1
1 672 . 5 1 1 A 80 80 LYS H H 58 8.340 8.247 0.093 1
1 673 . 5 1 1 A 80 80 LYS HA H 58 3.880 4.212 -0.332 1
1 682 . 5 1 1 A 80 80 LYS C C 58 177.100 176.453 0.647 1
1 683 . 5 1 1 A 80 80 LYS CA C 58 57.610 56.720 0.890 1
1 684 . 5 1 1 A 80 80 LYS CB C 58 32.400 32.076 0.324 1
1 688 . 5 1 1 A 80 80 LYS N N 58 121.510 121.537 -0.027 1
1 689 . 5 1 1 A 81 81 ALA H H 59 8.430 8.788 -0.358 1
1 690 . 5 1 1 A 81 81 ALA HA H 59 4.870 5.167 -0.297 1
1 694 . 5 1 1 A 81 81 ALA C C 59 177.460 175.706 1.754 1
1 695 . 5 1 1 A 81 81 ALA CA C 59 51.020 50.612 0.408 1
1 696 . 5 1 1 A 81 81 ALA CB C 59 22.910 22.427 0.483 1
1 697 . 5 1 1 A 81 81 ALA N N 59 129.030 127.742 1.288 1
1 698 . 5 1 1 A 82 82 SER H H 60 9.680 8.761 0.919 1
1 699 . 5 1 1 A 82 82 SER HA H 60 4.510 5.014 -0.504 1
1 702 . 5 1 1 A 82 82 SER C C 60 172.960 173.479 -0.519 1
1 703 . 5 1 1 A 82 82 SER CA C 60 58.350 57.996 0.354 1
1 704 . 5 1 1 A 82 82 SER CB C 60 65.150 62.611 2.539 1
1 705 . 5 1 1 A 82 82 SER N N 60 115.930 120.587 -4.657 1
1 706 . 5 1 1 A 83 83 VAL H H 61 7.450 8.477 -1.027 1
1 707 . 5 1 1 A 83 83 VAL HA H 61 4.260 4.747 -0.487 1
1 715 . 5 1 1 A 83 83 VAL CA C 61 60.940 60.571 0.369 1
1 716 . 5 1 1 A 83 83 VAL CB C 61 35.360 34.551 0.809 1
1 719 . 5 1 1 A 83 83 VAL N N 61 121.550 124.383 -2.833 1
1 720 . 5 1 1 A 84 84 THR H H 62 7.850 8.714 -0.864 1
1 721 . 5 1 1 A 84 84 THR HA H 62 4.750 4.915 -0.165 1
1 726 . 5 1 1 A 84 84 THR C C 62 174.040 173.967 0.073 1
1 727 . 5 1 1 A 84 84 THR CA C 62 59.370 60.337 -0.967 1
1 728 . 5 1 1 A 84 84 THR CB C 62 68.800 71.644 -2.844 1
1 730 . 5 1 1 A 84 84 THR N N 62 111.040 118.476 -7.436 1
1 731 . 5 1 1 A 85 85 GLY H H 63 7.950 8.130 -0.180 1
1 732 . 5 1 1 A 85 85 GLY HA2 H 63 3.480 4.014 -0.534 1
1 733 . 5 1 1 A 85 85 GLY HA3 H 63 2.950 4.027 -1.077 1
1 734 . 5 1 1 A 85 85 GLY C C 63 174.140 173.844 0.296 1
1 735 . 5 1 1 A 85 85 GLY CA C 63 45.490 45.084 0.406 1
1 736 . 5 1 1 A 85 85 GLY N N 63 109.700 110.470 -0.770 1
1 737 . 5 1 1 A 86 86 GLY H H 64 8.530 7.765 0.765 1
1 738 . 5 1 1 A 86 86 GLY HA2 H 64 4.550 4.068 0.482 1
1 739 . 5 1 1 A 86 86 GLY HA3 H 64 3.700 4.096 -0.396 1
1 740 . 5 1 1 A 86 86 GLY C C 64 174.700 173.252 1.448 1
1 741 . 5 1 1 A 86 86 GLY CA C 64 45.600 45.697 -0.097 1
1 742 . 5 1 1 A 86 86 GLY N N 64 107.420 107.605 -0.185 1
1 743 . 5 1 1 A 87 87 GLY H H 65 9.280 8.627 0.653 1
1 744 . 5 1 1 A 87 87 GLY HA2 H 65 4.860 4.084 0.776 1
1 745 . 5 1 1 A 87 87 GLY HA3 H 65 4.160 4.103 0.057 1
1 746 . 5 1 1 A 87 87 GLY C C 65 172.640 174.756 -2.116 1
1 747 . 5 1 1 A 87 87 GLY CA C 65 45.630 44.481 1.149 1
1 748 . 5 1 1 A 87 87 GLY N N 65 111.380 107.217 4.163 1
1 749 . 5 1 1 A 88 88 GLY H H 66 6.610 8.530 -1.920 1
1 750 . 5 1 1 A 88 88 GLY HA2 H 66 4.020 4.102 -0.082 1
1 751 . 5 1 1 A 88 88 GLY HA3 H 66 2.360 4.103 -1.743 1
1 752 . 5 1 1 A 88 88 GLY C C 66 172.250 173.425 -1.175 1
1 753 . 5 1 1 A 88 88 GLY CA C 66 43.910 44.692 -0.782 1
1 754 . 5 1 1 A 88 88 GLY N N 66 105.700 111.813 -6.113 1
1 755 . 5 1 1 A 89 89 GLU H H 67 9.230 8.573 0.657 1
1 756 . 5 1 1 A 89 89 GLU HA H 67 5.100 5.489 -0.389 1
1 761 . 5 1 1 A 89 89 GLU C C 67 175.770 174.563 1.207 1
1 762 . 5 1 1 A 89 89 GLU CA C 67 54.540 54.586 -0.046 1
1 763 . 5 1 1 A 89 89 GLU CB C 67 34.710 33.385 1.325 1
1 765 . 5 1 1 A 89 89 GLU N N 67 117.210 121.075 -3.865 1
1 766 . 5 1 1 A 90 90 LEU H H 68 8.470 8.975 -0.505 1
1 767 . 5 1 1 A 90 90 LEU HA H 68 5.050 5.069 -0.019 1
1 777 . 5 1 1 A 90 90 LEU C C 68 175.460 175.050 0.410 1
1 778 . 5 1 1 A 90 90 LEU CA C 68 54.160 53.892 0.268 1
1 779 . 5 1 1 A 90 90 LEU CB C 68 44.250 44.707 -0.457 1
1 783 . 5 1 1 A 90 90 LEU N N 68 120.420 125.383 -4.963 1
1 784 . 5 1 1 A 91 91 ALA H H 69 8.880 8.979 -0.099 1
1 785 . 5 1 1 A 91 91 ALA HA H 69 5.990 5.077 0.913 1
1 789 . 5 1 1 A 91 91 ALA C C 69 175.300 176.586 -1.286 1
1 790 . 5 1 1 A 91 91 ALA CA C 69 50.340 50.724 -0.384 1
1 791 . 5 1 1 A 91 91 ALA CB C 69 21.140 20.232 0.908 1
1 792 . 5 1 1 A 91 91 ALA N N 69 124.720 130.857 -6.137 1
1 793 . 5 1 1 A 92 92 PHE H H 70 10.090 9.606 0.484 1
1 794 . 5 1 1 A 92 92 PHE HA H 70 4.700 5.180 -0.480 1
1 802 . 5 1 1 A 92 92 PHE CA C 70 56.580 56.958 -0.378 1
1 803 . 5 1 1 A 92 92 PHE CB C 70 40.490 40.214 0.276 1
1 807 . 5 1 1 A 92 92 PHE N N 70 122.920 123.912 -0.992 1
1 808 . 5 1 1 A 93 93 ARG H H 71 9.030 9.089 -0.059 1
1 809 . 5 1 1 A 93 93 ARG HA H 71 4.460 4.536 -0.076 1
1 816 . 5 1 1 A 93 93 ARG C C 71 176.910 176.090 0.820 1
1 817 . 5 1 1 A 93 93 ARG CA C 71 55.080 55.953 -0.873 1
1 818 . 5 1 1 A 93 93 ARG CB C 71 31.950 31.346 0.604 1
1 821 . 5 1 1 A 93 93 ARG N N 71 125.390 124.659 0.731 1
1 822 . 5 1 1 A 94 94 VAL H H 72 8.470 7.960 0.510 1
1 823 . 5 1 1 A 94 94 VAL HA H 72 4.820 4.623 0.197 1
1 831 . 5 1 1 A 94 94 VAL C C 72 176.320 175.808 0.512 1
1 832 . 5 1 1 A 94 94 VAL CA C 72 59.190 58.869 0.321 1
1 833 . 5 1 1 A 94 94 VAL CB C 72 32.550 35.045 -2.495 1
1 836 . 5 1 1 A 94 94 VAL N N 72 119.430 119.727 -0.297 1
1 837 . 5 1 1 A 95 95 GLU H H 73 8.160 9.029 -0.869 1
1 838 . 5 1 1 A 95 95 GLU HA H 73 3.940 4.232 -0.292 1
1 843 . 5 1 1 A 95 95 GLU C C 73 176.560 176.652 -0.092 1
1 844 . 5 1 1 A 95 95 GLU CA C 73 59.620 58.630 0.990 1
1 845 . 5 1 1 A 95 95 GLU CB C 73 31.400 29.992 1.408 1
1 847 . 5 1 1 A 95 95 GLU N N 73 116.510 120.705 -4.195 1
1 848 . 5 1 1 A 96 96 ASN H H 74 7.240 7.896 -0.656 1
1 849 . 5 1 1 A 96 96 ASN HA H 74 4.780 5.068 -0.288 1
1 854 . 5 1 1 A 96 96 ASN C C 74 174.960 174.731 0.229 1
1 855 . 5 1 1 A 96 96 ASN CA C 74 51.570 52.407 -0.837 1
1 856 . 5 1 1 A 96 96 ASN CB C 74 40.130 39.857 0.273 1
1 857 . 5 1 1 A 96 96 ASN N N 74 108.930 114.429 -5.499 1
1 859 . 5 1 1 A 97 97 ASP H H 75 8.330 9.096 -0.766 1
1 860 . 5 1 1 A 97 97 ASP HA H 75 4.190 4.506 -0.316 1
1 863 . 5 1 1 A 97 97 ASP C C 75 177.800 178.599 -0.799 1
1 864 . 5 1 1 A 97 97 ASP CA C 75 57.780 56.782 0.998 1
1 865 . 5 1 1 A 97 97 ASP CB C 75 39.230 39.579 -0.349 1
1 866 . 5 1 1 A 97 97 ASP N N 75 120.390 118.419 1.971 1
1 867 . 5 1 1 A 98 98 ALA H H 76 8.090 8.141 -0.051 1
1 868 . 5 1 1 A 98 98 ALA HA H 76 4.210 3.945 0.265 1
1 872 . 5 1 1 A 98 98 ALA C C 76 181.130 180.157 0.973 1
1 873 . 5 1 1 A 98 98 ALA CA C 76 55.160 55.349 -0.189 1
1 874 . 5 1 1 A 98 98 ALA CB C 76 17.440 18.051 -0.611 1
1 875 . 5 1 1 A 98 98 ALA N N 76 122.660 121.841 0.819 1
1 876 . 5 1 1 A 99 99 GLN H H 77 8.110 7.808 0.302 1
1 877 . 5 1 1 A 99 99 GLN HA H 77 4.170 4.059 0.111 1
1 884 . 5 1 1 A 99 99 GLN C C 77 180.190 178.650 1.540 1
1 885 . 5 1 1 A 99 99 GLN CA C 77 58.680 58.559 0.121 1
1 886 . 5 1 1 A 99 99 GLN CB C 77 28.590 28.509 0.081 1
1 888 . 5 1 1 A 99 99 GLN N N 77 116.870 118.073 -1.203 1
1 890 . 5 1 1 A 100 100 VAL H H 78 7.860 7.421 0.439 1
1 891 . 5 1 1 A 100 100 VAL HA H 78 3.400 3.524 -0.124 1
1 899 . 5 1 1 A 100 100 VAL C C 78 177.510 178.018 -0.508 1
1 900 . 5 1 1 A 100 100 VAL CA C 78 67.800 66.523 1.277 1
1 901 . 5 1 1 A 100 100 VAL CB C 78 30.810 31.608 -0.798 1
1 904 . 5 1 1 A 100 100 VAL N N 78 125.200 120.907 4.293 1
1 905 . 5 1 1 A 101 101 ASP H H 79 7.810 7.980 -0.170 1
1 906 . 5 1 1 A 101 101 ASP HA H 79 4.420 4.218 0.202 1
1 909 . 5 1 1 A 101 101 ASP C C 79 175.010 178.538 -3.528 1
1 910 . 5 1 1 A 101 101 ASP CA C 79 58.490 57.325 1.165 1
1 911 . 5 1 1 A 101 101 ASP CB C 79 40.400 40.921 -0.521 1
1 912 . 5 1 1 A 101 101 ASP N N 79 119.560 120.628 -1.068 1
1 913 . 5 1 1 A 102 102 GLU H H 80 8.620 8.064 0.556 1
1 914 . 5 1 1 A 102 102 GLU HA H 80 4.080 4.048 0.032 1
1 919 . 5 1 1 A 102 102 GLU C C 80 179.540 179.643 -0.103 1
1 920 . 5 1 1 A 102 102 GLU CA C 80 59.470 59.373 0.097 1
1 921 . 5 1 1 A 102 102 GLU CB C 80 30.210 29.178 1.032 1
1 923 . 5 1 1 A 102 102 GLU N N 80 121.400 118.893 2.507 1
1 924 . 5 1 1 A 103 103 THR H H 81 8.120 7.599 0.521 1
1 925 . 5 1 1 A 103 103 THR HA H 81 3.660 3.780 -0.120 1
1 930 . 5 1 1 A 103 103 THR C C 81 174.440 175.938 -1.498 1
1 931 . 5 1 1 A 103 103 THR CA C 81 66.990 65.768 1.222 1
1 932 . 5 1 1 A 103 103 THR CB C 81 68.070 67.986 0.084 1
1 934 . 5 1 1 A 103 103 THR N N 81 118.770 118.150 0.620 1
1 935 . 5 1 1 A 104 104 PHE H H 82 8.340 7.879 0.461 1
1 936 . 5 1 1 A 104 104 PHE HA H 82 3.030 3.325 -0.295 1
1 943 . 5 1 1 A 104 104 PHE C C 82 176.050 176.732 -0.682 1
1 944 . 5 1 1 A 104 104 PHE CA C 82 61.480 61.753 -0.273 1
1 945 . 5 1 1 A 104 104 PHE CB C 82 38.550 38.730 -0.180 1
1 948 . 5 1 1 A 104 104 PHE N N 82 122.350 121.525 0.825 1
1 949 . 5 1 1 A 105 105 ALA H H 83 7.780 8.251 -0.471 1
1 950 . 5 1 1 A 105 105 ALA HA H 83 3.680 4.045 -0.365 1
1 954 . 5 1 1 A 105 105 ALA C C 83 181.410 179.849 1.561 1
1 955 . 5 1 1 A 105 105 ALA CA C 83 54.880 54.978 -0.098 1
1 956 . 5 1 1 A 105 105 ALA CB C 83 18.080 18.341 -0.261 1
1 957 . 5 1 1 A 105 105 ALA N N 83 118.740 121.092 -2.352 1
1 958 . 5 1 1 A 106 106 GLY H H 84 8.120 8.207 -0.087 1
1 959 . 5 1 1 A 106 106 GLY HA2 H 84 3.910 3.663 0.247 1
1 960 . 5 1 1 A 106 106 GLY HA3 H 84 3.810 3.683 0.127 1
1 961 . 5 1 1 A 106 106 GLY C C 84 176.780 177.089 -0.309 1
1 962 . 5 1 1 A 106 106 GLY CA C 84 46.910 47.186 -0.276 1
1 963 . 5 1 1 A 106 106 GLY N N 84 107.090 105.523 1.567 1
1 964 . 5 1 1 A 107 107 TRP H H 85 9.240 7.929 1.311 1
1 965 . 5 1 1 A 107 107 TRP HA H 85 4.440 4.654 -0.214 1
1 972 . 5 1 1 A 107 107 TRP C C 85 179.210 178.380 0.830 1
1 973 . 5 1 1 A 107 107 TRP CA C 85 59.190 60.546 -1.356 1
1 974 . 5 1 1 A 107 107 TRP CB C 85 28.450 29.035 -0.585 1
1 978 . 5 1 1 A 107 107 TRP N N 85 124.820 122.244 2.576 1
1 980 . 5 1 1 A 108 108 LYS H H 86 8.610 8.235 0.375 1
1 981 . 5 1 1 A 108 108 LYS HA H 86 3.920 3.894 0.026 1
1 990 . 5 1 1 A 108 108 LYS C C 86 180.980 178.744 2.236 1
1 991 . 5 1 1 A 108 108 LYS CA C 86 60.040 59.352 0.688 1
1 992 . 5 1 1 A 108 108 LYS CB C 86 31.850 32.230 -0.380 1
1 996 . 5 1 1 A 108 108 LYS N N 86 121.490 120.910 0.580 1
1 997 . 5 1 1 A 109 109 ALA H H 87 7.890 7.702 0.188 1
1 998 . 5 1 1 A 109 109 ALA HA H 87 4.150 4.206 -0.056 1
1 1002 . 5 1 1 A 109 109 ALA C C 87 179.050 178.266 0.784 1
1 1003 . 5 1 1 A 109 109 ALA CA C 87 54.670 53.640 1.030 1
1 1004 . 5 1 1 A 109 109 ALA CB C 87 18.010 18.495 -0.485 1
1 1005 . 5 1 1 A 109 109 ALA N N 87 121.920 121.159 0.761 1
1 1006 . 5 1 1 A 110 110 SER H H 88 7.510 7.592 -0.082 1
1 1007 . 5 1 1 A 110 110 SER HA H 88 4.450 4.609 -0.159 1
1 1010 . 5 1 1 A 110 110 SER C C 88 174.140 174.769 -0.629 1
1 1011 . 5 1 1 A 110 110 SER CA C 88 58.750 58.399 0.351 1
1 1012 . 5 1 1 A 110 110 SER CB C 88 63.950 63.764 0.186 1
1 1013 . 5 1 1 A 110 110 SER N N 88 112.390 111.772 0.618 1
1 1014 . 5 1 1 A 111 111 GLY H H 89 7.790 7.760 0.030 1
1 1015 . 5 1 1 A 111 111 GLY HA2 H 89 4.180 3.955 0.225 1
1 1016 . 5 1 1 A 111 111 GLY HA3 H 89 3.700 3.999 -0.299 1
1 1017 . 5 1 1 A 111 111 GLY C C 89 174.520 174.403 0.117 1
1 1018 . 5 1 1 A 111 111 GLY CA C 89 45.530 46.497 -0.967 1
1 1019 . 5 1 1 A 111 111 GLY N N 89 108.220 110.009 -1.789 1
1 1020 . 5 1 1 A 112 112 VAL H H 90 7.660 7.585 0.075 1
1 1021 . 5 1 1 A 112 112 VAL HA H 90 3.830 4.078 -0.248 1
1 1029 . 5 1 1 A 112 112 VAL C C 90 175.430 176.615 -1.185 1
1 1030 . 5 1 1 A 112 112 VAL CA C 90 63.880 60.522 3.358 1
1 1031 . 5 1 1 A 112 112 VAL CB C 90 32.040 33.350 -1.310 1
1 1034 . 5 1 1 A 112 112 VAL N N 90 122.880 119.693 3.187 1
1 1035 . 5 1 1 A 113 113 ALA H H 91 8.720 8.460 0.260 1
1 1036 . 5 1 1 A 113 113 ALA HA H 91 4.210 3.970 0.240 1
1 1040 . 5 1 1 A 113 113 ALA C C 91 176.290 177.675 -1.385 1
1 1041 . 5 1 1 A 113 113 ALA CA C 91 52.900 54.060 -1.160 1
1 1042 . 5 1 1 A 113 113 ALA CB C 91 19.290 19.222 0.068 1
1 1043 . 5 1 1 A 113 113 ALA N N 91 132.080 129.352 2.728 1
1 1044 . 5 1 1 A 114 114 MET H H 92 8.260 8.088 0.172 1
1 1045 . 5 1 1 A 114 114 MET HA H 92 5.330 4.199 1.131 1
1 1051 . 5 1 1 A 114 114 MET C C 92 176.780 176.016 0.764 1
1 1052 . 5 1 1 A 114 114 MET CA C 92 53.390 56.222 -2.832 1
1 1053 . 5 1 1 A 114 114 MET CB C 92 33.450 31.136 2.314 1
1 1055 . 5 1 1 A 114 114 MET N N 92 116.930 116.519 0.411 1
1 1056 . 5 1 1 A 115 115 LEU H H 93 8.990 8.121 0.869 1
1 1057 . 5 1 1 A 115 115 LEU HA H 93 4.550 5.047 -0.497 1
1 1067 . 5 1 1 A 115 115 LEU C C 93 176.630 175.532 1.098 1
1 1068 . 5 1 1 A 115 115 LEU CA C 93 55.140 53.479 1.661 1
1 1069 . 5 1 1 A 115 115 LEU CB C 93 44.810 42.905 1.905 1
1 1073 . 5 1 1 A 115 115 LEU N N 93 122.250 116.539 5.711 1
1 1074 . 5 1 1 A 116 116 GLN H H 94 8.280 8.498 -0.218 1
1 1075 . 5 1 1 A 116 116 GLN HA H 94 4.700 4.674 0.026 1
1 1080 . 5 1 1 A 116 116 GLN C C 94 174.860 174.071 0.789 1
1 1081 . 5 1 1 A 116 116 GLN CA C 94 55.600 55.760 -0.160 1
1 1082 . 5 1 1 A 116 116 GLN CB C 94 33.510 32.584 0.926 1
1 1083 . 5 1 1 A 116 116 GLN N N 94 121.140 123.204 -2.064 1
1 1085 . 5 1 1 A 117 117 GLN H H 95 8.490 8.577 -0.087 1
1 1086 . 5 1 1 A 117 117 GLN HA H 95 4.080 4.732 -0.652 1
1 1093 . 5 1 1 A 117 117 GLN CA C 95 54.860 52.899 1.961 1
1 1094 . 5 1 1 A 117 117 GLN CB C 95 26.550 29.253 -2.703 1
1 1096 . 5 1 1 A 117 117 GLN N N 95 125.610 125.302 0.308 1
1 1098 . 5 1 1 A 118 118 PRO HA H 96 4.410 4.521 -0.111 1
1 1103 . 5 1 1 A 118 118 PRO C C 96 176.290 175.809 0.481 1
1 1104 . 5 1 1 A 118 118 PRO CA C 96 64.130 62.932 1.198 1
1 1105 . 5 1 1 A 118 118 PRO CB C 96 30.550 31.611 -1.061 1
1 1107 . 5 1 1 A 119 119 ALA H H 97 8.980 8.289 0.691 1
1 1108 . 5 1 1 A 119 119 ALA HA H 97 4.550 4.951 -0.401 1
1 1112 . 5 1 1 A 119 119 ALA C C 97 175.820 176.115 -0.295 1
1 1113 . 5 1 1 A 119 119 ALA CA C 97 51.100 50.655 0.445 1
1 1114 . 5 1 1 A 119 119 ALA CB C 97 22.150 22.732 -0.582 1
1 1115 . 5 1 1 A 119 119 ALA N N 97 126.580 125.490 1.090 1
1 1116 . 5 1 1 A 120 120 LYS H H 98 8.710 8.560 0.150 1
1 1117 . 5 1 1 A 120 120 LYS HA H 98 4.450 4.630 -0.180 1
1 1126 . 5 1 1 A 120 120 LYS C C 98 175.950 176.130 -0.180 1
1 1127 . 5 1 1 A 120 120 LYS CA C 98 56.360 56.322 0.038 1
1 1128 . 5 1 1 A 120 120 LYS CB C 98 32.090 32.819 -0.729 1
1 1132 . 5 1 1 A 120 120 LYS N N 98 121.330 121.464 -0.134 1
1 1133 . 5 1 1 A 121 121 MET H H 99 8.130 8.664 -0.534 1
1 1138 . 5 1 1 A 121 121 MET N N 99 125.590 125.207 0.383 1
1 1139 . 5 1 1 A 122 122 GLU HA H 100 3.890 3.788 0.102 1
1 1144 . 5 1 1 A 122 122 GLU C C 100 176.450 177.531 -1.081 1
1 1145 . 5 1 1 A 122 122 GLU CA C 100 59.740 59.251 0.489 1
1 1146 . 5 1 1 A 122 122 GLU CB C 100 29.200 28.909 0.291 1
1 1148 . 5 1 1 A 123 123 PHE H H 101 6.120 7.566 -1.446 1
1 1149 . 5 1 1 A 123 123 PHE HA H 101 4.430 4.608 -0.178 1
1 1152 . 5 1 1 A 123 123 PHE C C 101 173.950 175.517 -1.567 1
1 1153 . 5 1 1 A 123 123 PHE CA C 101 54.750 58.132 -3.382 1
1 1154 . 5 1 1 A 123 123 PHE CB C 101 38.630 39.341 -0.711 1
1 1155 . 5 1 1 A 123 123 PHE N N 101 108.900 114.970 -6.070 1
1 1156 . 5 1 1 A 124 124 GLY H H 102 6.670 7.414 -0.744 1
1 1157 . 5 1 1 A 124 124 GLY HA2 H 102 4.780 4.054 0.726 1
1 1158 . 5 1 1 A 124 124 GLY HA3 H 102 3.770 4.167 -0.397 1
1 1159 . 5 1 1 A 124 124 GLY C C 102 170.410 172.659 -2.249 1
1 1160 . 5 1 1 A 124 124 GLY CA C 102 44.570 43.909 0.661 1
1 1161 . 5 1 1 A 124 124 GLY N N 102 108.900 107.601 1.299 1
1 1162 . 5 1 1 A 125 125 TYR H H 103 8.210 8.526 -0.316 1
1 1163 . 5 1 1 A 125 125 TYR HA H 103 5.080 4.786 0.294 1
1 1170 . 5 1 1 A 125 125 TYR C C 103 175.980 174.393 1.587 1
1 1171 . 5 1 1 A 125 125 TYR CA C 103 56.530 56.817 -0.287 1
1 1172 . 5 1 1 A 125 125 TYR CB C 103 40.180 38.833 1.347 1
1 1175 . 5 1 1 A 125 125 TYR N N 103 123.360 122.064 1.296 1
1 1176 . 5 1 1 A 126 126 THR H H 104 8.450 8.825 -0.375 1
1 1177 . 5 1 1 A 126 126 THR HA H 104 5.630 5.423 0.207 1
1 1182 . 5 1 1 A 126 126 THR C C 104 170.010 172.715 -2.705 1
1 1183 . 5 1 1 A 126 126 THR CA C 104 58.490 59.966 -1.476 1
1 1184 . 5 1 1 A 126 126 THR CB C 104 72.110 71.774 0.336 1
1 1186 . 5 1 1 A 126 126 THR N N 104 120.720 122.481 -1.761 1
1 1187 . 5 1 1 A 127 127 PHE H H 105 8.170 8.922 -0.752 1
1 1188 . 5 1 1 A 127 127 PHE HA H 105 4.620 5.379 -0.759 1
1 1195 . 5 1 1 A 127 127 PHE C C 105 172.490 173.194 -0.704 1
1 1196 . 5 1 1 A 127 127 PHE CA C 105 56.610 56.834 -0.224 1
1 1197 . 5 1 1 A 127 127 PHE CB C 105 41.710 42.832 -1.122 1
1 1200 . 5 1 1 A 127 127 PHE N N 105 120.530 128.512 -7.982 1
1 1201 . 5 1 1 A 128 128 THR H H 106 8.450 8.660 -0.210 1
1 1202 . 5 1 1 A 128 128 THR HA H 106 5.090 5.129 -0.039 1
1 1207 . 5 1 1 A 128 128 THR C C 106 172.750 173.480 -0.730 1
1 1208 . 5 1 1 A 128 128 THR CA C 106 63.340 60.893 2.447 1
1 1209 . 5 1 1 A 128 128 THR CB C 106 70.420 71.306 -0.886 1
1 1211 . 5 1 1 A 128 128 THR N N 106 114.010 120.452 -6.442 1
1 1212 . 5 1 1 A 129 129 ALA H H 107 10.030 8.945 1.085 1
1 1213 . 5 1 1 A 129 129 ALA HA H 107 5.540 5.242 0.298 1
1 1217 . 5 1 1 A 129 129 ALA C C 107 179.620 175.845 3.775 1
1 1218 . 5 1 1 A 129 129 ALA CA C 107 50.640 50.127 0.513 1
1 1219 . 5 1 1 A 129 129 ALA CB C 107 24.570 22.705 1.865 1
1 1220 . 5 1 1 A 129 129 ALA N N 107 135.110 129.706 5.404 1
1 1221 . 5 1 1 A 130 130 ALA H H 108 8.650 8.881 -0.231 1
1 1222 . 5 1 1 A 130 130 ALA HA H 108 5.380 5.196 0.184 1
1 1226 . 5 1 1 A 130 130 ALA C C 108 175.480 176.454 -0.974 1
1 1227 . 5 1 1 A 130 130 ALA CA C 108 50.100 49.934 0.166 1
1 1228 . 5 1 1 A 130 130 ALA CB C 108 22.770 21.107 1.663 1
1 1229 . 5 1 1 A 130 130 ALA N N 108 121.150 121.360 -0.210 1
1 1230 . 5 1 1 A 131 131 ASP H H 109 8.770 8.693 0.077 1
1 1231 . 5 1 1 A 131 131 ASP HA H 109 3.910 4.408 -0.498 1
1 1234 . 5 1 1 A 131 131 ASP CA C 109 51.290 52.188 -0.898 1
1 1235 . 5 1 1 A 131 131 ASP CB C 109 41.350 40.677 0.673 1
1 1236 . 5 1 1 A 131 131 ASP N N 109 123.100 124.565 -1.465 1
1 1237 . 5 1 1 A 132 132 PRO HA H 110 4.140 4.130 0.010 1
1 1242 . 5 1 1 A 132 132 PRO C C 110 176.890 177.479 -0.589 1
1 1243 . 5 1 1 A 132 132 PRO CA C 110 65.730 65.627 0.103 1
1 1244 . 5 1 1 A 132 132 PRO CB C 110 31.850 31.545 0.305 1
1 1246 . 5 1 1 A 133 133 ASP H H 111 8.740 7.311 1.429 1
1 1247 . 5 1 1 A 133 133 ASP HA H 111 4.800 4.497 0.303 1
1 1250 . 5 1 1 A 133 133 ASP C C 111 173.720 175.655 -1.935 1
1 1251 . 5 1 1 A 133 133 ASP CA C 111 54.140 56.255 -2.115 1
1 1252 . 5 1 1 A 133 133 ASP CB C 111 42.910 41.189 1.721 1
1 1253 . 5 1 1 A 133 133 ASP N N 111 118.220 117.013 1.207 1
1 1254 . 5 1 1 A 134 134 SER H H 112 8.370 7.780 0.590 1
1 1255 . 5 1 1 A 134 134 SER HA H 112 3.710 3.965 -0.255 1
1 1258 . 5 1 1 A 134 134 SER CA C 112 60.670 58.906 1.764 1
1 1259 . 5 1 1 A 134 134 SER CB C 112 61.430 61.549 -0.119 1
1 1260 . 5 1 1 A 134 134 SER N N 112 109.220 114.011 -4.791 1
1 1261 . 5 1 1 A 135 135 HIS H H 113 8.850 7.725 1.125 1
1 1268 . 5 1 1 A 135 135 HIS N N 113 122.820 121.152 1.668 1
1 1269 . 5 1 1 A 136 136 ARG HA H 114 4.680 4.754 -0.074 1
1 1270 . 5 1 1 A 136 136 ARG C C 114 175.220 175.422 -0.202 1
1 1271 . 5 1 1 A 136 136 ARG CA C 114 57.560 55.597 1.963 1
1 1272 . 5 1 1 A 137 137 LEU H H 115 8.680 9.076 -0.396 1
1 1273 . 5 1 1 A 137 137 LEU HA H 115 5.490 5.179 0.311 1
1 1282 . 5 1 1 A 137 137 LEU C C 115 174.620 174.858 -0.238 1
1 1283 . 5 1 1 A 137 137 LEU CA C 115 52.580 53.956 -1.376 1
1 1284 . 5 1 1 A 137 137 LEU CB C 115 43.070 43.264 -0.194 1
1 1287 . 5 1 1 A 137 137 LEU N N 115 123.990 126.849 -2.859 1
1 1288 . 5 1 1 A 138 138 ARG H H 116 9.510 9.212 0.298 1
1 1289 . 5 1 1 A 138 138 ARG HA H 116 5.120 5.126 -0.006 1
1 1292 . 5 1 1 A 138 138 ARG C C 116 175.090 175.084 0.006 1
1 1293 . 5 1 1 A 138 138 ARG CA C 116 54.700 55.390 -0.690 1
1 1294 . 5 1 1 A 138 138 ARG CB C 116 33.480 31.788 1.692 1
1 1295 . 5 1 1 A 138 138 ARG N N 116 125.370 126.620 -1.250 1
1 1296 . 5 1 1 A 139 139 VAL H H 117 7.970 8.851 -0.881 1
1 1297 . 5 1 1 A 139 139 VAL HA H 117 5.280 5.266 0.014 1
1 1305 . 5 1 1 A 139 139 VAL C C 117 176.390 175.331 1.059 1
1 1306 . 5 1 1 A 139 139 VAL CA C 117 60.090 61.306 -1.216 1
1 1307 . 5 1 1 A 139 139 VAL CB C 117 32.690 34.527 -1.837 1
1 1310 . 5 1 1 A 139 139 VAL N N 117 128.260 125.487 2.773 1
1 1311 . 5 1 1 A 140 140 TYR H H 118 9.200 8.855 0.345 1
1 1312 . 5 1 1 A 140 140 TYR HA H 118 5.800 6.039 -0.239 1
1 1319 . 5 1 1 A 140 140 TYR C C 118 170.820 173.507 -2.687 1
1 1320 . 5 1 1 A 140 140 TYR CA C 118 56.060 55.339 0.721 1
1 1321 . 5 1 1 A 140 140 TYR CB C 118 42.460 41.342 1.118 1
1 1324 . 5 1 1 A 140 140 TYR N N 118 127.020 124.299 2.721 1
1 1325 . 5 1 1 A 141 141 ALA H H 119 8.330 8.963 -0.633 1
1 1326 . 5 1 1 A 141 141 ALA HA H 119 4.560 5.060 -0.500 1
1 1330 . 5 1 1 A 141 141 ALA C C 119 177.150 175.977 1.173 1
1 1331 . 5 1 1 A 141 141 ALA CA C 119 50.530 50.940 -0.410 1
1 1332 . 5 1 1 A 141 141 ALA CB C 119 21.220 21.453 -0.233 1
1 1333 . 5 1 1 A 141 141 ALA N N 119 121.160 122.373 -1.213 1
1 1334 . 5 1 1 A 142 142 PHE H H 120 8.780 9.202 -0.422 1
1 1335 . 5 1 1 A 142 142 PHE HA H 120 4.910 5.165 -0.255 1
1 1340 . 5 1 1 A 142 142 PHE C C 120 175.090 174.306 0.784 1
1 1341 . 5 1 1 A 142 142 PHE CA C 120 57.720 57.489 0.231 1
1 1342 . 5 1 1 A 142 142 PHE CB C 120 40.810 39.644 1.166 1
1 1344 . 5 1 1 A 142 142 PHE N N 120 122.630 126.669 -4.039 1
1 1345 . 5 1 1 A 143 143 ALA H H 121 8.190 8.374 -0.184 1
1 1346 . 5 1 1 A 143 143 ALA HA H 121 4.330 4.377 -0.047 1
1 1350 . 5 1 1 A 143 143 ALA C C 121 176.260 177.749 -1.489 1
1 1351 . 5 1 1 A 143 143 ALA CA C 121 52.280 52.530 -0.250 1
1 1352 . 5 1 1 A 143 143 ALA CB C 121 19.310 18.263 1.047 1
1 1353 . 5 1 1 A 143 143 ALA N N 121 129.460 130.000 -0.540 1
1 16 . 6 1 1 A 24 24 THR H H 2 8.350 8.256 0.094 1
1 17 . 6 1 1 A 24 24 THR HA H 2 4.470 4.704 -0.234 1
1 22 . 6 1 1 A 24 24 THR CA C 2 61.890 62.391 -0.501 1
1 23 . 6 1 1 A 24 24 THR CB C 2 69.630 70.236 -0.606 1
1 25 . 6 1 1 A 24 24 THR N N 2 117.720 113.356 4.364 1
1 26 . 6 1 1 A 25 25 HIS H H 3 8.630 9.084 -0.454 1
1 27 . 6 1 1 A 25 25 HIS HA H 3 5.200 4.978 0.222 1
1 30 . 6 1 1 A 25 25 HIS CA C 3 51.620 53.770 -2.150 1
1 31 . 6 1 1 A 25 25 HIS CB C 3 33.320 30.546 2.774 1
1 32 . 6 1 1 A 25 25 HIS N N 3 124.890 125.070 -0.180 1
1 33 . 6 1 1 A 26 26 PRO HA H 4 4.170 4.791 -0.621 1
1 40 . 6 1 1 A 26 26 PRO C C 4 175.740 176.841 -1.101 1
1 41 . 6 1 1 A 26 26 PRO CA C 4 62.740 62.111 0.629 1
1 42 . 6 1 1 A 26 26 PRO CB C 4 31.460 30.304 1.156 1
1 45 . 6 1 1 A 27 27 ASP H H 5 8.270 8.522 -0.252 1
1 46 . 6 1 1 A 27 27 ASP HA H 5 4.810 4.638 0.172 1
1 49 . 6 1 1 A 27 27 ASP C C 5 175.400 175.664 -0.264 1
1 50 . 6 1 1 A 27 27 ASP CA C 5 53.310 54.028 -0.718 1
1 51 . 6 1 1 A 27 27 ASP CB C 5 42.390 40.208 2.182 1
1 52 . 6 1 1 A 27 27 ASP N N 5 119.440 121.289 -1.849 1
1 53 . 6 1 1 A 28 28 PHE H H 6 7.280 7.766 -0.486 1
1 54 . 6 1 1 A 28 28 PHE HA H 6 5.440 5.104 0.336 1
1 61 . 6 1 1 A 28 28 PHE C C 6 174.180 173.538 0.642 1
1 62 . 6 1 1 A 28 28 PHE CA C 6 54.590 56.706 -2.116 1
1 63 . 6 1 1 A 28 28 PHE CB C 6 42.310 42.506 -0.196 1
1 66 . 6 1 1 A 28 28 PHE N N 6 118.410 120.335 -1.925 1
1 67 . 6 1 1 A 29 29 THR H H 7 8.500 8.899 -0.399 1
1 68 . 6 1 1 A 29 29 THR HA H 7 4.800 4.998 -0.198 1
1 73 . 6 1 1 A 29 29 THR C C 7 172.280 172.951 -0.671 1
1 74 . 6 1 1 A 29 29 THR CA C 7 62.550 60.094 2.456 1
1 75 . 6 1 1 A 29 29 THR CB C 7 70.420 71.736 -1.316 1
1 77 . 6 1 1 A 29 29 THR N N 7 123.070 121.095 1.975 1
1 78 . 6 1 1 A 30 30 ILE H H 8 9.270 8.969 0.301 1
1 79 . 6 1 1 A 30 30 ILE HA H 8 4.680 4.885 -0.205 1
1 89 . 6 1 1 A 30 30 ILE C C 8 173.970 174.846 -0.876 1
1 90 . 6 1 1 A 30 30 ILE CA C 8 59.220 59.626 -0.406 1
1 91 . 6 1 1 A 30 30 ILE CB C 8 40.210 40.999 -0.789 1
1 95 . 6 1 1 A 30 30 ILE N N 8 126.920 127.455 -0.535 1
1 96 . 6 1 1 A 31 31 LEU H H 9 8.760 8.748 0.012 1
1 97 . 6 1 1 A 31 31 LEU HA H 9 4.330 5.092 -0.762 1
1 107 . 6 1 1 A 31 31 LEU C C 9 176.520 176.062 0.458 1
1 108 . 6 1 1 A 31 31 LEU CA C 9 52.960 53.625 -0.665 1
1 109 . 6 1 1 A 31 31 LEU CB C 9 41.820 44.084 -2.264 1
1 113 . 6 1 1 A 31 31 LEU N N 9 126.000 126.295 -0.295 1
1 114 . 6 1 1 A 32 32 TYR H H 10 8.190 9.349 -1.159 1
1 115 . 6 1 1 A 32 32 TYR HA H 10 5.980 5.288 0.692 1
1 118 . 6 1 1 A 32 32 TYR C C 10 177.720 175.735 1.985 1
1 119 . 6 1 1 A 32 32 TYR CA C 10 53.120 57.232 -4.112 1
1 120 . 6 1 1 A 32 32 TYR CB C 10 36.560 39.779 -3.219 1
1 121 . 6 1 1 A 32 32 TYR N N 10 122.130 121.843 0.287 1
1 122 . 6 1 1 A 33 33 VAL H H 11 8.470 8.647 -0.177 1
1 123 . 6 1 1 A 33 33 VAL HA H 11 4.990 5.138 -0.148 1
1 131 . 6 1 1 A 33 33 VAL C C 11 176.030 175.028 1.002 1
1 132 . 6 1 1 A 33 33 VAL CA C 11 58.240 59.100 -0.860 1
1 133 . 6 1 1 A 33 33 VAL CB C 11 35.090 35.020 0.070 1
1 136 . 6 1 1 A 33 33 VAL N N 11 113.820 117.554 -3.734 1
1 137 . 6 1 1 A 34 34 ASP H H 12 9.750 8.889 0.861 1
1 138 . 6 1 1 A 34 34 ASP HA H 12 4.550 4.754 -0.204 1
1 141 . 6 1 1 A 34 34 ASP C C 12 177.230 175.687 1.543 1
1 142 . 6 1 1 A 34 34 ASP CA C 12 58.000 55.630 2.370 1
1 143 . 6 1 1 A 34 34 ASP CB C 12 42.780 41.745 1.035 1
1 144 . 6 1 1 A 34 34 ASP N N 12 124.140 121.147 2.993 1
1 145 . 6 1 1 A 35 35 ASN H H 13 9.250 7.946 1.304 1
1 146 . 6 1 1 A 35 35 ASN HA H 13 5.120 5.015 0.105 1
1 151 . 6 1 1 A 35 35 ASN CA C 13 50.610 50.138 0.472 1
1 152 . 6 1 1 A 35 35 ASN CB C 13 39.920 38.102 1.818 1
1 153 . 6 1 1 A 35 35 ASN N N 13 114.460 116.323 -1.863 1
1 155 . 6 1 1 A 37 37 PRO HA H 15 4.350 4.261 0.089 1
1 162 . 6 1 1 A 37 37 PRO C C 15 179.310 179.318 -0.008 1
1 163 . 6 1 1 A 37 37 PRO CA C 15 67.480 66.572 0.908 1
1 164 . 6 1 1 A 37 37 PRO CB C 15 31.340 30.887 0.453 1
1 167 . 6 1 1 A 38 38 ALA H H 16 7.740 8.271 -0.531 1
1 168 . 6 1 1 A 38 38 ALA HA H 16 4.310 4.113 0.197 1
1 172 . 6 1 1 A 38 38 ALA C C 16 182.490 179.868 2.622 1
1 173 . 6 1 1 A 38 38 ALA CA C 16 55.160 55.367 -0.207 1
1 174 . 6 1 1 A 38 38 ALA CB C 16 18.360 18.259 0.101 1
1 175 . 6 1 1 A 38 38 ALA N N 16 121.510 119.251 2.259 1
1 176 . 6 1 1 A 39 39 SER H H 17 8.770 7.977 0.793 1
1 177 . 6 1 1 A 39 39 SER HA H 17 4.190 4.464 -0.274 1
1 180 . 6 1 1 A 39 39 SER C C 17 175.610 177.362 -1.752 1
1 181 . 6 1 1 A 39 39 SER CA C 17 64.260 60.965 3.295 1
1 182 . 6 1 1 A 39 39 SER CB C 17 62.790 63.098 -0.308 1
1 183 . 6 1 1 A 39 39 SER N N 17 117.520 112.997 4.523 1
1 184 . 6 1 1 A 40 40 THR H H 18 9.310 7.721 1.589 1
1 185 . 6 1 1 A 40 40 THR HA H 18 4.480 4.291 0.189 1
1 190 . 6 1 1 A 40 40 THR C C 18 175.590 177.297 -1.707 1
1 191 . 6 1 1 A 40 40 THR CA C 18 68.130 66.414 1.716 1
1 192 . 6 1 1 A 40 40 THR CB C 18 68.480 68.621 -0.141 1
1 194 . 6 1 1 A 40 40 THR N N 18 120.600 116.155 4.445 1
1 195 . 6 1 1 A 41 41 GLN H H 19 7.610 7.819 -0.209 1
1 196 . 6 1 1 A 41 41 GLN HA H 19 4.080 4.130 -0.050 1
1 203 . 6 1 1 A 41 41 GLN C C 19 178.110 177.899 0.211 1
1 204 . 6 1 1 A 41 41 GLN CA C 19 59.170 58.753 0.417 1
1 205 . 6 1 1 A 41 41 GLN CB C 19 28.170 28.473 -0.303 1
1 207 . 6 1 1 A 41 41 GLN N N 19 120.130 120.506 -0.376 1
1 209 . 6 1 1 A 42 42 PHE H H 20 7.710 7.823 -0.113 1
1 210 . 6 1 1 A 42 42 PHE HA H 20 4.080 4.230 -0.150 1
1 218 . 6 1 1 A 42 42 PHE C C 20 177.460 177.025 0.435 1
1 219 . 6 1 1 A 42 42 PHE CA C 20 61.760 61.365 0.395 1
1 220 . 6 1 1 A 42 42 PHE CB C 20 38.590 38.958 -0.368 1
1 224 . 6 1 1 A 42 42 PHE N N 20 120.560 122.413 -1.853 1
1 225 . 6 1 1 A 43 43 TYR H H 21 8.890 8.135 0.755 1
1 226 . 6 1 1 A 43 43 TYR HA H 21 3.700 4.080 -0.380 1
1 233 . 6 1 1 A 43 43 TYR C C 21 177.640 178.130 -0.490 1
1 234 . 6 1 1 A 43 43 TYR CA C 21 64.290 61.502 2.788 1
1 235 . 6 1 1 A 43 43 TYR CB C 21 38.110 37.337 0.773 1
1 238 . 6 1 1 A 43 43 TYR N N 21 118.420 118.081 0.339 1
1 239 . 6 1 1 A 44 44 LYS H H 22 8.860 7.996 0.864 1
1 240 . 6 1 1 A 44 44 LYS HA H 22 4.630 3.946 0.684 1
1 249 . 6 1 1 A 44 44 LYS C C 22 179.780 179.162 0.618 1
1 250 . 6 1 1 A 44 44 LYS CA C 22 59.630 59.622 0.008 1
1 251 . 6 1 1 A 44 44 LYS CB C 22 33.210 32.503 0.707 1
1 255 . 6 1 1 A 44 44 LYS N N 22 122.200 120.132 2.068 1
1 256 . 6 1 1 A 45 45 ALA H H 23 7.180 7.472 -0.292 1
1 257 . 6 1 1 A 45 45 ALA HA H 23 4.040 4.052 -0.012 1
1 261 . 6 1 1 A 45 45 ALA C C 23 179.130 180.038 -0.908 1
1 262 . 6 1 1 A 45 45 ALA CA C 23 54.350 54.601 -0.251 1
1 263 . 6 1 1 A 45 45 ALA CB C 23 18.030 18.344 -0.314 1
1 264 . 6 1 1 A 45 45 ALA N N 23 120.710 121.679 -0.969 1
1 265 . 6 1 1 A 46 46 LEU H H 24 7.510 7.624 -0.114 1
1 266 . 6 1 1 A 46 46 LEU HA H 24 3.550 3.906 -0.356 1
1 276 . 6 1 1 A 46 46 LEU C C 24 178.680 178.677 0.003 1
1 277 . 6 1 1 A 46 46 LEU CA C 24 57.910 57.864 0.046 1
1 278 . 6 1 1 A 46 46 LEU CB C 24 43.950 41.299 2.651 1
1 282 . 6 1 1 A 46 46 LEU N N 24 118.650 120.330 -1.680 1
1 283 . 6 1 1 A 47 47 LEU H H 25 8.800 7.715 1.085 1
1 284 . 6 1 1 A 47 47 LEU HA H 25 4.480 4.315 0.165 1
1 294 . 6 1 1 A 47 47 LEU C C 25 178.960 177.098 1.862 1
1 295 . 6 1 1 A 47 47 LEU CA C 25 55.010 56.290 -1.280 1
1 296 . 6 1 1 A 47 47 LEU CB C 25 42.500 42.629 -0.129 1
1 300 . 6 1 1 A 47 47 LEU N N 25 112.540 117.996 -5.456 1
1 301 . 6 1 1 A 48 48 GLY H H 26 7.810 8.016 -0.206 1
1 302 . 6 1 1 A 48 48 GLY HA2 H 26 4.030 3.980 0.050 1
1 303 . 6 1 1 A 48 48 GLY HA3 H 26 3.900 4.002 -0.102 1
1 304 . 6 1 1 A 48 48 GLY C C 26 173.560 173.761 -0.201 1
1 305 . 6 1 1 A 48 48 GLY CA C 26 46.810 45.508 1.302 1
1 306 . 6 1 1 A 48 48 GLY N N 26 107.650 106.054 1.596 1
1 307 . 6 1 1 A 49 49 VAL H H 27 7.100 7.219 -0.119 1
1 308 . 6 1 1 A 49 49 VAL HA H 27 4.700 4.872 -0.172 1
1 316 . 6 1 1 A 49 49 VAL C C 27 172.980 173.745 -0.765 1
1 317 . 6 1 1 A 49 49 VAL CA C 27 58.680 59.139 -0.459 1
1 318 . 6 1 1 A 49 49 VAL CB C 27 36.090 36.215 -0.125 1
1 321 . 6 1 1 A 49 49 VAL N N 27 110.770 115.296 -4.526 1
1 322 . 6 1 1 A 50 50 ASP H H 28 8.100 8.906 -0.806 1
1 323 . 6 1 1 A 50 50 ASP HA H 28 4.930 5.269 -0.339 1
1 326 . 6 1 1 A 50 50 ASP CA C 28 52.550 51.229 1.321 1
1 327 . 6 1 1 A 50 50 ASP CB C 28 40.520 43.544 -3.024 1
1 328 . 6 1 1 A 50 50 ASP N N 28 119.760 119.903 -0.143 1
1 329 . 6 1 1 A 51 51 PRO HA H 29 3.700 4.873 -1.173 1
1 336 . 6 1 1 A 51 51 PRO C C 29 176.580 177.646 -1.066 1
1 337 . 6 1 1 A 51 51 PRO CA C 29 62.900 62.929 -0.029 1
1 338 . 6 1 1 A 51 51 PRO CB C 29 30.550 31.771 -1.221 1
1 341 . 6 1 1 A 52 52 VAL H H 30 8.340 8.458 -0.118 1
1 342 . 6 1 1 A 52 52 VAL HA H 30 4.080 3.984 0.096 1
1 350 . 6 1 1 A 52 52 VAL C C 30 176.190 175.724 0.466 1
1 351 . 6 1 1 A 52 52 VAL CA C 30 62.790 64.276 -1.486 1
1 352 . 6 1 1 A 52 52 VAL CB C 30 32.280 32.342 -0.062 1
1 355 . 6 1 1 A 52 52 VAL N N 30 117.320 125.519 -8.199 1
1 356 . 6 1 1 A 53 53 GLU H H 31 7.170 7.859 -0.689 1
1 357 . 6 1 1 A 53 53 GLU HA H 31 4.580 4.702 -0.122 1
1 362 . 6 1 1 A 53 53 GLU C C 31 174.940 175.209 -0.269 1
1 363 . 6 1 1 A 53 53 GLU CA C 31 55.330 55.419 -0.089 1
1 364 . 6 1 1 A 53 53 GLU CB C 31 33.370 30.078 3.292 1
1 366 . 6 1 1 A 53 53 GLU N N 31 118.180 120.301 -2.121 1
1 367 . 6 1 1 A 54 54 SER H H 32 8.650 8.777 -0.127 1
1 368 . 6 1 1 A 54 54 SER HA H 32 5.130 5.356 -0.226 1
1 371 . 6 1 1 A 54 54 SER C C 32 171.990 173.819 -1.829 1
1 372 . 6 1 1 A 54 54 SER CA C 32 57.940 56.380 1.560 1
1 373 . 6 1 1 A 54 54 SER CB C 32 64.720 65.176 -0.456 1
1 374 . 6 1 1 A 54 54 SER N N 32 117.210 120.652 -3.442 1
1 375 . 6 1 1 A 55 55 SER H H 33 8.760 8.697 0.063 1
1 376 . 6 1 1 A 55 55 SER N N 33 124.420 118.186 6.234 1
1 377 . 6 1 1 A 56 56 PRO HA H 34 4.320 4.426 -0.106 1
1 382 . 6 1 1 A 56 56 PRO C C 34 177.290 177.122 0.168 1
1 383 . 6 1 1 A 56 56 PRO CA C 34 65.750 64.848 0.902 1
1 384 . 6 1 1 A 56 56 PRO CB C 34 32.490 32.067 0.423 1
1 386 . 6 1 1 A 57 57 THR H H 35 7.810 8.148 -0.338 1
1 387 . 6 1 1 A 57 57 THR HA H 35 4.630 4.790 -0.160 1
1 392 . 6 1 1 A 57 57 THR C C 35 174.080 173.920 0.160 1
1 393 . 6 1 1 A 57 57 THR CA C 35 61.860 61.370 0.490 1
1 394 . 6 1 1 A 57 57 THR CB C 35 70.940 70.192 0.748 1
1 396 . 6 1 1 A 57 57 THR N N 35 101.710 110.670 -8.960 1
1 397 . 6 1 1 A 58 58 PHE H H 36 7.670 7.428 0.242 1
1 398 . 6 1 1 A 58 58 PHE HA H 36 5.780 4.787 0.993 1
1 405 . 6 1 1 A 58 58 PHE CA C 36 57.820 57.590 0.230 1
1 406 . 6 1 1 A 58 58 PHE CB C 36 43.010 42.324 0.686 1
1 409 . 6 1 1 A 58 58 PHE N N 36 124.370 120.871 3.499 1
1 410 . 6 1 1 A 59 59 SER H H 37 8.070 8.128 -0.058 1
1 411 . 6 1 1 A 59 59 SER HA H 37 4.890 5.347 -0.457 1
1 414 . 6 1 1 A 59 59 SER C C 37 170.010 172.582 -2.572 1
1 415 . 6 1 1 A 59 59 SER CA C 37 56.660 57.103 -0.443 1
1 416 . 6 1 1 A 59 59 SER CB C 37 67.490 65.913 1.577 1
1 417 . 6 1 1 A 59 59 SER N N 37 122.930 122.604 0.326 1
1 418 . 6 1 1 A 60 60 LEU H H 38 8.140 8.521 -0.381 1
1 419 . 6 1 1 A 60 60 LEU HA H 38 4.810 4.593 0.217 1
1 429 . 6 1 1 A 60 60 LEU C C 38 174.000 174.755 -0.755 1
1 430 . 6 1 1 A 60 60 LEU CA C 38 53.750 53.594 0.156 1
1 431 . 6 1 1 A 60 60 LEU CB C 38 47.250 45.629 1.621 1
1 435 . 6 1 1 A 60 60 LEU N N 38 122.030 126.107 -4.077 1
1 436 . 6 1 1 A 61 61 PHE H H 39 9.460 8.242 1.218 1
1 437 . 6 1 1 A 61 61 PHE HA H 39 4.580 5.574 -0.994 1
1 444 . 6 1 1 A 61 61 PHE C C 39 174.390 173.682 0.708 1
1 445 . 6 1 1 A 61 61 PHE CA C 39 57.180 55.317 1.863 1
1 446 . 6 1 1 A 61 61 PHE CB C 39 41.570 41.773 -0.203 1
1 449 . 6 1 1 A 61 61 PHE N N 39 124.820 123.445 1.375 1
1 450 . 6 1 1 A 62 62 VAL H H 40 8.640 9.048 -0.408 1
1 451 . 6 1 1 A 62 62 VAL HA H 40 4.260 4.511 -0.251 1
1 459 . 6 1 1 A 62 62 VAL C C 40 175.380 175.175 0.205 1
1 460 . 6 1 1 A 62 62 VAL CA C 40 62.520 61.637 0.883 1
1 461 . 6 1 1 A 62 62 VAL CB C 40 32.470 33.362 -0.892 1
1 464 . 6 1 1 A 62 62 VAL N N 40 122.650 124.394 -1.744 1
1 465 . 6 1 1 A 63 63 LEU H H 41 8.710 8.667 0.043 1
1 466 . 6 1 1 A 63 63 LEU HA H 41 4.590 4.750 -0.160 1
1 476 . 6 1 1 A 63 63 LEU CA C 41 53.560 53.436 0.124 1
1 477 . 6 1 1 A 63 63 LEU CB C 41 41.600 43.064 -1.464 1
1 481 . 6 1 1 A 63 63 LEU N N 41 126.170 127.474 -1.304 1
1 482 . 6 1 1 A 64 64 ALA HA H 42 4.040 4.208 -0.168 1
1 486 . 6 1 1 A 64 64 ALA CA C 42 55.050 53.894 1.156 1
1 487 . 6 1 1 A 64 64 ALA CB C 42 18.580 18.620 -0.040 1
1 488 . 6 1 1 A 65 65 ASN H H 43 7.680 7.883 -0.203 1
1 489 . 6 1 1 A 65 65 ASN HA H 43 4.520 4.692 -0.172 1
1 494 . 6 1 1 A 65 65 ASN C C 43 175.860 175.712 0.148 1
1 495 . 6 1 1 A 65 65 ASN CA C 43 52.530 53.381 -0.851 1
1 496 . 6 1 1 A 65 65 ASN CB C 43 37.800 38.647 -0.847 1
1 497 . 6 1 1 A 65 65 ASN N N 43 112.130 115.022 -2.892 1
1 499 . 6 1 1 A 66 66 GLY H H 44 8.070 8.345 -0.275 1
1 500 . 6 1 1 A 66 66 GLY HA2 H 44 4.330 3.926 0.404 1
1 501 . 6 1 1 A 66 66 GLY HA3 H 44 3.480 3.932 -0.452 1
1 502 . 6 1 1 A 66 66 GLY C C 44 174.260 173.748 0.512 1
1 503 . 6 1 1 A 66 66 GLY CA C 44 44.930 45.484 -0.554 1
1 504 . 6 1 1 A 66 66 GLY N N 44 107.650 107.847 -0.197 1
1 505 . 6 1 1 A 67 67 MET H H 45 7.900 7.695 0.205 1
1 506 . 6 1 1 A 67 67 MET HA H 45 4.420 5.100 -0.680 1
1 514 . 6 1 1 A 67 67 MET CA C 45 55.520 53.397 2.123 1
1 515 . 6 1 1 A 67 67 MET CB C 45 33.630 36.442 -2.812 1
1 518 . 6 1 1 A 67 67 MET N N 45 121.850 115.919 5.931 1
1 519 . 6 1 1 A 68 68 LYS HA H 46 5.040 5.107 -0.067 1
1 528 . 6 1 1 A 68 68 LYS C C 46 174.600 174.472 0.128 1
1 529 . 6 1 1 A 68 68 LYS CA C 46 55.410 55.090 0.320 1
1 530 . 6 1 1 A 68 68 LYS CB C 46 34.460 35.848 -1.388 1
1 534 . 6 1 1 A 69 69 LEU H H 47 8.830 8.563 0.267 1
1 535 . 6 1 1 A 69 69 LEU HA H 47 5.450 5.550 -0.100 1
1 545 . 6 1 1 A 69 69 LEU C C 47 174.880 176.498 -1.618 1
1 546 . 6 1 1 A 69 69 LEU CA C 47 52.980 53.236 -0.256 1
1 547 . 6 1 1 A 69 69 LEU CB C 47 46.560 45.131 1.429 1
1 551 . 6 1 1 A 69 69 LEU N N 47 124.960 126.970 -2.010 1
1 552 . 6 1 1 A 70 70 GLY H H 48 9.580 9.254 0.326 1
1 553 . 6 1 1 A 70 70 GLY HA2 H 48 5.220 3.951 1.269 1
1 554 . 6 1 1 A 70 70 GLY HA3 H 48 3.090 4.239 -1.149 1
1 555 . 6 1 1 A 70 70 GLY C C 48 170.590 171.780 -1.190 1
1 556 . 6 1 1 A 70 70 GLY CA C 48 43.370 44.081 -0.711 1
1 557 . 6 1 1 A 70 70 GLY N N 48 113.940 113.025 0.915 1
1 558 . 6 1 1 A 71 71 LEU H H 49 8.250 7.887 0.363 1
1 559 . 6 1 1 A 71 71 LEU HA H 49 5.150 4.977 0.173 1
1 569 . 6 1 1 A 71 71 LEU C C 49 173.920 173.790 0.130 1
1 570 . 6 1 1 A 71 71 LEU CA C 49 52.770 53.927 -1.157 1
1 571 . 6 1 1 A 71 71 LEU CB C 49 43.100 44.504 -1.404 1
1 575 . 6 1 1 A 71 71 LEU N N 49 122.270 121.218 1.052 1
1 576 . 6 1 1 A 72 72 TRP H H 50 8.960 8.770 0.190 1
1 577 . 6 1 1 A 72 72 TRP HA H 50 5.860 5.380 0.480 1
1 584 . 6 1 1 A 72 72 TRP C C 50 175.740 175.344 0.396 1
1 585 . 6 1 1 A 72 72 TRP CA C 50 53.170 55.235 -2.065 1
1 586 . 6 1 1 A 72 72 TRP CB C 50 34.990 32.061 2.929 1
1 590 . 6 1 1 A 72 72 TRP N N 50 125.010 130.072 -5.062 1
1 592 . 6 1 1 A 73 73 SER H H 51 9.010 8.862 0.148 1
1 593 . 6 1 1 A 73 73 SER HA H 51 4.570 5.131 -0.561 1
1 596 . 6 1 1 A 73 73 SER C C 51 176.240 175.671 0.569 1
1 597 . 6 1 1 A 73 73 SER CA C 51 58.490 59.574 -1.084 1
1 598 . 6 1 1 A 73 73 SER CB C 51 63.770 63.006 0.764 1
1 599 . 6 1 1 A 73 73 SER N N 51 120.380 124.190 -3.810 1
1 600 . 6 1 1 A 74 74 ARG H H 52 9.420 9.001 0.419 1
1 601 . 6 1 1 A 74 74 ARG HA H 52 3.460 4.124 -0.664 1
1 608 . 6 1 1 A 74 74 ARG C C 52 175.610 176.574 -0.964 1
1 609 . 6 1 1 A 74 74 ARG CA C 52 57.590 57.958 -0.368 1
1 610 . 6 1 1 A 74 74 ARG CB C 52 28.900 29.586 -0.686 1
1 613 . 6 1 1 A 74 74 ARG N N 52 128.770 126.110 2.660 1
1 614 . 6 1 1 A 75 75 HIS H H 53 7.910 8.088 -0.178 1
1 615 . 6 1 1 A 75 75 HIS HA H 53 4.310 4.570 -0.260 1
1 619 . 6 1 1 A 75 75 HIS C C 53 176.610 175.735 0.875 1
1 620 . 6 1 1 A 75 75 HIS CA C 53 57.190 57.542 -0.352 1
1 621 . 6 1 1 A 75 75 HIS CB C 53 31.260 29.373 1.887 1
1 623 . 6 1 1 A 75 75 HIS N N 53 117.320 117.621 -0.301 1
1 624 . 6 1 1 A 76 76 THR H H 54 7.360 7.426 -0.066 1
1 625 . 6 1 1 A 76 76 THR HA H 54 4.540 4.417 0.123 1
1 630 . 6 1 1 A 76 76 THR C C 54 175.120 174.335 0.785 1
1 631 . 6 1 1 A 76 76 THR CA C 54 61.840 61.143 0.697 1
1 632 . 6 1 1 A 76 76 THR CB C 54 69.680 68.906 0.774 1
1 634 . 6 1 1 A 76 76 THR N N 54 107.350 113.076 -5.726 1
1 635 . 6 1 1 A 77 77 VAL H H 55 6.630 7.492 -0.862 1
1 636 . 6 1 1 A 77 77 VAL HA H 55 2.700 4.041 -1.341 1
1 644 . 6 1 1 A 77 77 VAL C C 55 173.920 175.082 -1.162 1
1 645 . 6 1 1 A 77 77 VAL CA C 55 63.500 62.632 0.868 1
1 646 . 6 1 1 A 77 77 VAL CB C 55 31.270 32.236 -0.966 1
1 649 . 6 1 1 A 77 77 VAL N N 55 123.760 122.577 1.183 1
1 650 . 6 1 1 A 78 78 GLU H H 56 6.010 8.708 -2.698 1
1 651 . 6 1 1 A 78 78 GLU HA H 56 4.160 4.807 -0.647 1
1 656 . 6 1 1 A 78 78 GLU CA C 56 53.120 52.431 0.689 1
1 657 . 6 1 1 A 78 78 GLU CB C 56 32.240 30.897 1.343 1
1 659 . 6 1 1 A 78 78 GLU N N 56 124.820 128.225 -3.405 1
1 660 . 6 1 1 A 79 79 PRO HA H 57 4.620 4.638 -0.018 1
1 667 . 6 1 1 A 79 79 PRO C C 57 176.190 176.584 -0.394 1
1 668 . 6 1 1 A 79 79 PRO CA C 57 61.890 62.437 -0.547 1
1 669 . 6 1 1 A 79 79 PRO CB C 57 33.620 32.080 1.540 1
1 672 . 6 1 1 A 80 80 LYS H H 58 8.340 8.252 0.088 1
1 673 . 6 1 1 A 80 80 LYS HA H 58 3.880 4.342 -0.462 1
1 682 . 6 1 1 A 80 80 LYS C C 58 177.100 176.539 0.561 1
1 683 . 6 1 1 A 80 80 LYS CA C 58 57.610 56.925 0.685 1
1 684 . 6 1 1 A 80 80 LYS CB C 58 32.400 32.725 -0.325 1
1 688 . 6 1 1 A 80 80 LYS N N 58 121.510 121.468 0.042 1
1 689 . 6 1 1 A 81 81 ALA H H 59 8.430 8.684 -0.254 1
1 690 . 6 1 1 A 81 81 ALA HA H 59 4.870 4.913 -0.043 1
1 694 . 6 1 1 A 81 81 ALA C C 59 177.460 175.455 2.005 1
1 695 . 6 1 1 A 81 81 ALA CA C 59 51.020 51.486 -0.466 1
1 696 . 6 1 1 A 81 81 ALA CB C 59 22.910 20.645 2.265 1
1 697 . 6 1 1 A 81 81 ALA N N 59 129.030 126.369 2.661 1
1 698 . 6 1 1 A 82 82 SER H H 60 9.680 9.014 0.666 1
1 699 . 6 1 1 A 82 82 SER HA H 60 4.510 4.741 -0.231 1
1 702 . 6 1 1 A 82 82 SER C C 60 172.960 173.446 -0.486 1
1 703 . 6 1 1 A 82 82 SER CA C 60 58.350 57.190 1.160 1
1 704 . 6 1 1 A 82 82 SER CB C 60 65.150 63.219 1.931 1
1 705 . 6 1 1 A 82 82 SER N N 60 115.930 120.380 -4.450 1
1 706 . 6 1 1 A 83 83 VAL H H 61 7.450 8.387 -0.937 1
1 707 . 6 1 1 A 83 83 VAL HA H 61 4.260 4.717 -0.457 1
1 715 . 6 1 1 A 83 83 VAL CA C 61 60.940 60.587 0.353 1
1 716 . 6 1 1 A 83 83 VAL CB C 61 35.360 35.027 0.333 1
1 719 . 6 1 1 A 83 83 VAL N N 61 121.550 125.598 -4.048 1
1 720 . 6 1 1 A 84 84 THR H H 62 7.850 8.902 -1.052 1
1 721 . 6 1 1 A 84 84 THR HA H 62 4.750 5.569 -0.819 1
1 726 . 6 1 1 A 84 84 THR C C 62 174.040 173.292 0.748 1
1 727 . 6 1 1 A 84 84 THR CA C 62 59.370 60.250 -0.880 1
1 728 . 6 1 1 A 84 84 THR CB C 62 68.800 71.614 -2.814 1
1 730 . 6 1 1 A 84 84 THR N N 62 111.040 118.144 -7.104 1
1 731 . 6 1 1 A 85 85 GLY H H 63 7.950 8.375 -0.425 1
1 732 . 6 1 1 A 85 85 GLY HA2 H 63 3.480 4.233 -0.753 1
1 733 . 6 1 1 A 85 85 GLY HA3 H 63 2.950 4.261 -1.311 1
1 734 . 6 1 1 A 85 85 GLY C C 63 174.140 172.597 1.543 1
1 735 . 6 1 1 A 85 85 GLY CA C 63 45.490 45.979 -0.489 1
1 736 . 6 1 1 A 85 85 GLY N N 63 109.700 108.431 1.269 1
1 737 . 6 1 1 A 86 86 GLY H H 64 8.530 8.357 0.173 1
1 738 . 6 1 1 A 86 86 GLY HA2 H 64 4.550 4.169 0.381 1
1 739 . 6 1 1 A 86 86 GLY HA3 H 64 3.700 4.182 -0.482 1
1 740 . 6 1 1 A 86 86 GLY C C 64 174.700 174.021 0.679 1
1 741 . 6 1 1 A 86 86 GLY CA C 64 45.600 44.884 0.716 1
1 742 . 6 1 1 A 86 86 GLY N N 64 107.420 113.739 -6.319 1
1 743 . 6 1 1 A 87 87 GLY H H 65 9.280 8.425 0.855 1
1 744 . 6 1 1 A 87 87 GLY HA2 H 65 4.860 4.055 0.805 1
1 745 . 6 1 1 A 87 87 GLY HA3 H 65 4.160 4.104 0.056 1
1 746 . 6 1 1 A 87 87 GLY C C 65 172.640 173.741 -1.101 1
1 747 . 6 1 1 A 87 87 GLY CA C 65 45.630 45.447 0.183 1
1 748 . 6 1 1 A 87 87 GLY N N 65 111.380 110.298 1.082 1
1 749 . 6 1 1 A 88 88 GLY H H 66 6.610 7.522 -0.912 1
1 750 . 6 1 1 A 88 88 GLY HA2 H 66 4.020 4.036 -0.016 1
1 751 . 6 1 1 A 88 88 GLY HA3 H 66 2.360 4.042 -1.682 1
1 752 . 6 1 1 A 88 88 GLY C C 66 172.250 171.644 0.606 1
1 753 . 6 1 1 A 88 88 GLY CA C 66 43.910 45.877 -1.967 1
1 754 . 6 1 1 A 88 88 GLY N N 66 105.700 105.588 0.112 1
1 755 . 6 1 1 A 89 89 GLU H H 67 9.230 8.500 0.730 1
1 756 . 6 1 1 A 89 89 GLU HA H 67 5.100 5.525 -0.425 1
1 761 . 6 1 1 A 89 89 GLU C C 67 175.770 174.840 0.930 1
1 762 . 6 1 1 A 89 89 GLU CA C 67 54.540 54.837 -0.297 1
1 763 . 6 1 1 A 89 89 GLU CB C 67 34.710 32.801 1.909 1
1 765 . 6 1 1 A 89 89 GLU N N 67 117.210 120.540 -3.330 1
1 766 . 6 1 1 A 90 90 LEU H H 68 8.470 8.744 -0.274 1
1 767 . 6 1 1 A 90 90 LEU HA H 68 5.050 5.037 0.013 1
1 777 . 6 1 1 A 90 90 LEU C C 68 175.460 174.946 0.514 1
1 778 . 6 1 1 A 90 90 LEU CA C 68 54.160 53.937 0.223 1
1 779 . 6 1 1 A 90 90 LEU CB C 68 44.250 44.723 -0.473 1
1 783 . 6 1 1 A 90 90 LEU N N 68 120.420 124.397 -3.977 1
1 784 . 6 1 1 A 91 91 ALA H H 69 8.880 8.948 -0.068 1
1 785 . 6 1 1 A 91 91 ALA HA H 69 5.990 5.161 0.829 1
1 789 . 6 1 1 A 91 91 ALA C C 69 175.300 176.454 -1.154 1
1 790 . 6 1 1 A 91 91 ALA CA C 69 50.340 50.447 -0.107 1
1 791 . 6 1 1 A 91 91 ALA CB C 69 21.140 20.296 0.844 1
1 792 . 6 1 1 A 91 91 ALA N N 69 124.720 130.766 -6.046 1
1 793 . 6 1 1 A 92 92 PHE H H 70 10.090 9.756 0.334 1
1 794 . 6 1 1 A 92 92 PHE HA H 70 4.700 5.092 -0.392 1
1 802 . 6 1 1 A 92 92 PHE CA C 70 56.580 56.900 -0.320 1
1 803 . 6 1 1 A 92 92 PHE CB C 70 40.490 39.470 1.020 1
1 807 . 6 1 1 A 92 92 PHE N N 70 122.920 123.547 -0.627 1
1 808 . 6 1 1 A 93 93 ARG H H 71 9.030 9.086 -0.056 1
1 809 . 6 1 1 A 93 93 ARG HA H 71 4.460 4.493 -0.033 1
1 816 . 6 1 1 A 93 93 ARG C C 71 176.910 176.083 0.827 1
1 817 . 6 1 1 A 93 93 ARG CA C 71 55.080 56.253 -1.173 1
1 818 . 6 1 1 A 93 93 ARG CB C 71 31.950 30.876 1.074 1
1 821 . 6 1 1 A 93 93 ARG N N 71 125.390 125.284 0.106 1
1 822 . 6 1 1 A 94 94 VAL H H 72 8.470 8.088 0.382 1
1 823 . 6 1 1 A 94 94 VAL HA H 72 4.820 4.711 0.109 1
1 831 . 6 1 1 A 94 94 VAL C C 72 176.320 175.752 0.568 1
1 832 . 6 1 1 A 94 94 VAL CA C 72 59.190 58.925 0.265 1
1 833 . 6 1 1 A 94 94 VAL CB C 72 32.550 35.151 -2.601 1
1 836 . 6 1 1 A 94 94 VAL N N 72 119.430 119.437 -0.007 1
1 837 . 6 1 1 A 95 95 GLU H H 73 8.160 8.877 -0.717 1
1 838 . 6 1 1 A 95 95 GLU HA H 73 3.940 4.176 -0.236 1
1 843 . 6 1 1 A 95 95 GLU C C 73 176.560 176.497 0.063 1
1 844 . 6 1 1 A 95 95 GLU CA C 73 59.620 58.561 1.059 1
1 845 . 6 1 1 A 95 95 GLU CB C 73 31.400 29.578 1.822 1
1 847 . 6 1 1 A 95 95 GLU N N 73 116.510 120.865 -4.355 1
1 848 . 6 1 1 A 96 96 ASN H H 74 7.240 7.752 -0.512 1
1 849 . 6 1 1 A 96 96 ASN HA H 74 4.780 4.971 -0.191 1
1 854 . 6 1 1 A 96 96 ASN C C 74 174.960 174.581 0.379 1
1 855 . 6 1 1 A 96 96 ASN CA C 74 51.570 52.353 -0.783 1
1 856 . 6 1 1 A 96 96 ASN CB C 74 40.130 39.661 0.469 1
1 857 . 6 1 1 A 96 96 ASN N N 74 108.930 114.412 -5.482 1
1 859 . 6 1 1 A 97 97 ASP H H 75 8.330 8.979 -0.649 1
1 860 . 6 1 1 A 97 97 ASP HA H 75 4.190 4.333 -0.143 1
1 863 . 6 1 1 A 97 97 ASP C C 75 177.800 178.519 -0.719 1
1 864 . 6 1 1 A 97 97 ASP CA C 75 57.780 56.606 1.174 1
1 865 . 6 1 1 A 97 97 ASP CB C 75 39.230 39.326 -0.096 1
1 866 . 6 1 1 A 97 97 ASP N N 75 120.390 118.303 2.087 1
1 867 . 6 1 1 A 98 98 ALA H H 76 8.090 8.083 0.007 1
1 868 . 6 1 1 A 98 98 ALA HA H 76 4.210 3.942 0.268 1
1 872 . 6 1 1 A 98 98 ALA C C 76 181.130 179.816 1.314 1
1 873 . 6 1 1 A 98 98 ALA CA C 76 55.160 55.207 -0.047 1
1 874 . 6 1 1 A 98 98 ALA CB C 76 17.440 17.910 -0.470 1
1 875 . 6 1 1 A 98 98 ALA N N 76 122.660 121.794 0.866 1
1 876 . 6 1 1 A 99 99 GLN H H 77 8.110 7.708 0.402 1
1 877 . 6 1 1 A 99 99 GLN HA H 77 4.170 4.024 0.146 1
1 884 . 6 1 1 A 99 99 GLN C C 77 180.190 178.552 1.638 1
1 885 . 6 1 1 A 99 99 GLN CA C 77 58.680 58.576 0.104 1
1 886 . 6 1 1 A 99 99 GLN CB C 77 28.590 28.509 0.081 1
1 888 . 6 1 1 A 99 99 GLN N N 77 116.870 117.893 -1.023 1
1 890 . 6 1 1 A 100 100 VAL H H 78 7.860 7.472 0.388 1
1 891 . 6 1 1 A 100 100 VAL HA H 78 3.400 3.504 -0.104 1
1 899 . 6 1 1 A 100 100 VAL C C 78 177.510 177.960 -0.450 1
1 900 . 6 1 1 A 100 100 VAL CA C 78 67.800 66.355 1.445 1
1 901 . 6 1 1 A 100 100 VAL CB C 78 30.810 31.536 -0.726 1
1 904 . 6 1 1 A 100 100 VAL N N 78 125.200 121.056 4.144 1
1 905 . 6 1 1 A 101 101 ASP H H 79 7.810 7.996 -0.186 1
1 906 . 6 1 1 A 101 101 ASP HA H 79 4.420 4.186 0.234 1
1 909 . 6 1 1 A 101 101 ASP C C 79 175.010 178.684 -3.674 1
1 910 . 6 1 1 A 101 101 ASP CA C 79 58.490 57.195 1.295 1
1 911 . 6 1 1 A 101 101 ASP CB C 79 40.400 41.032 -0.632 1
1 912 . 6 1 1 A 101 101 ASP N N 79 119.560 120.371 -0.811 1
1 913 . 6 1 1 A 102 102 GLU H H 80 8.620 7.909 0.711 1
1 914 . 6 1 1 A 102 102 GLU HA H 80 4.080 4.046 0.034 1
1 919 . 6 1 1 A 102 102 GLU C C 80 179.540 179.414 0.126 1
1 920 . 6 1 1 A 102 102 GLU CA C 80 59.470 59.419 0.051 1
1 921 . 6 1 1 A 102 102 GLU CB C 80 30.210 29.379 0.831 1
1 923 . 6 1 1 A 102 102 GLU N N 80 121.400 118.861 2.539 1
1 924 . 6 1 1 A 103 103 THR H H 81 8.120 7.615 0.505 1
1 925 . 6 1 1 A 103 103 THR HA H 81 3.660 3.700 -0.040 1
1 930 . 6 1 1 A 103 103 THR C C 81 174.440 176.098 -1.658 1
1 931 . 6 1 1 A 103 103 THR CA C 81 66.990 65.732 1.258 1
1 932 . 6 1 1 A 103 103 THR CB C 81 68.070 67.904 0.166 1
1 934 . 6 1 1 A 103 103 THR N N 81 118.770 118.505 0.265 1
1 935 . 6 1 1 A 104 104 PHE H H 82 8.340 8.027 0.313 1
1 936 . 6 1 1 A 104 104 PHE HA H 82 3.030 3.765 -0.735 1
1 943 . 6 1 1 A 104 104 PHE C C 82 176.050 176.704 -0.654 1
1 944 . 6 1 1 A 104 104 PHE CA C 82 61.480 61.713 -0.233 1
1 945 . 6 1 1 A 104 104 PHE CB C 82 38.550 38.833 -0.283 1
1 948 . 6 1 1 A 104 104 PHE N N 82 122.350 122.146 0.204 1
1 949 . 6 1 1 A 105 105 ALA H H 83 7.780 8.485 -0.705 1
1 950 . 6 1 1 A 105 105 ALA HA H 83 3.680 4.094 -0.414 1
1 954 . 6 1 1 A 105 105 ALA C C 83 181.410 179.895 1.515 1
1 955 . 6 1 1 A 105 105 ALA CA C 83 54.880 55.075 -0.195 1
1 956 . 6 1 1 A 105 105 ALA CB C 83 18.080 18.314 -0.234 1
1 957 . 6 1 1 A 105 105 ALA N N 83 118.740 121.057 -2.317 1
1 958 . 6 1 1 A 106 106 GLY H H 84 8.120 8.186 -0.066 1
1 959 . 6 1 1 A 106 106 GLY HA2 H 84 3.910 3.581 0.329 1
1 960 . 6 1 1 A 106 106 GLY HA3 H 84 3.810 3.587 0.223 1
1 961 . 6 1 1 A 106 106 GLY C C 84 176.780 177.118 -0.338 1
1 962 . 6 1 1 A 106 106 GLY CA C 84 46.910 46.982 -0.072 1
1 963 . 6 1 1 A 106 106 GLY N N 84 107.090 105.579 1.511 1
1 964 . 6 1 1 A 107 107 TRP H H 85 9.240 7.723 1.517 1
1 965 . 6 1 1 A 107 107 TRP HA H 85 4.440 4.469 -0.029 1
1 972 . 6 1 1 A 107 107 TRP C C 85 179.210 178.385 0.825 1
1 973 . 6 1 1 A 107 107 TRP CA C 85 59.190 60.665 -1.475 1
1 974 . 6 1 1 A 107 107 TRP CB C 85 28.450 28.697 -0.247 1
1 978 . 6 1 1 A 107 107 TRP N N 85 124.820 121.951 2.869 1
1 980 . 6 1 1 A 108 108 LYS H H 86 8.610 8.231 0.379 1
1 981 . 6 1 1 A 108 108 LYS HA H 86 3.920 3.927 -0.007 1
1 990 . 6 1 1 A 108 108 LYS C C 86 180.980 178.782 2.198 1
1 991 . 6 1 1 A 108 108 LYS CA C 86 60.040 59.321 0.719 1
1 992 . 6 1 1 A 108 108 LYS CB C 86 31.850 32.285 -0.435 1
1 996 . 6 1 1 A 108 108 LYS N N 86 121.490 120.310 1.180 1
1 997 . 6 1 1 A 109 109 ALA H H 87 7.890 7.721 0.169 1
1 998 . 6 1 1 A 109 109 ALA HA H 87 4.150 4.203 -0.053 1
1 1002 . 6 1 1 A 109 109 ALA C C 87 179.050 178.341 0.709 1
1 1003 . 6 1 1 A 109 109 ALA CA C 87 54.670 53.923 0.747 1
1 1004 . 6 1 1 A 109 109 ALA CB C 87 18.010 18.344 -0.334 1
1 1005 . 6 1 1 A 109 109 ALA N N 87 121.920 121.213 0.707 1
1 1006 . 6 1 1 A 110 110 SER H H 88 7.510 7.665 -0.155 1
1 1007 . 6 1 1 A 110 110 SER HA H 88 4.450 4.631 -0.181 1
1 1010 . 6 1 1 A 110 110 SER C C 88 174.140 174.691 -0.551 1
1 1011 . 6 1 1 A 110 110 SER CA C 88 58.750 58.266 0.484 1
1 1012 . 6 1 1 A 110 110 SER CB C 88 63.950 63.391 0.559 1
1 1013 . 6 1 1 A 110 110 SER N N 88 112.390 111.647 0.743 1
1 1014 . 6 1 1 A 111 111 GLY H H 89 7.790 8.030 -0.240 1
1 1015 . 6 1 1 A 111 111 GLY HA2 H 89 4.180 3.935 0.245 1
1 1016 . 6 1 1 A 111 111 GLY HA3 H 89 3.700 3.953 -0.253 1
1 1017 . 6 1 1 A 111 111 GLY C C 89 174.520 174.944 -0.424 1
1 1018 . 6 1 1 A 111 111 GLY CA C 89 45.530 45.825 -0.295 1
1 1019 . 6 1 1 A 111 111 GLY N N 89 108.220 110.123 -1.903 1
1 1020 . 6 1 1 A 112 112 VAL H H 90 7.660 7.841 -0.181 1
1 1021 . 6 1 1 A 112 112 VAL HA H 90 3.830 4.023 -0.193 1
1 1029 . 6 1 1 A 112 112 VAL C C 90 175.430 176.324 -0.894 1
1 1030 . 6 1 1 A 112 112 VAL CA C 90 63.880 62.661 1.219 1
1 1031 . 6 1 1 A 112 112 VAL CB C 90 32.040 31.496 0.544 1
1 1034 . 6 1 1 A 112 112 VAL N N 90 122.880 121.761 1.119 1
1 1035 . 6 1 1 A 113 113 ALA H H 91 8.720 8.408 0.312 1
1 1036 . 6 1 1 A 113 113 ALA HA H 91 4.210 3.966 0.244 1
1 1040 . 6 1 1 A 113 113 ALA C C 91 176.290 177.749 -1.459 1
1 1041 . 6 1 1 A 113 113 ALA CA C 91 52.900 54.382 -1.482 1
1 1042 . 6 1 1 A 113 113 ALA CB C 91 19.290 19.103 0.187 1
1 1043 . 6 1 1 A 113 113 ALA N N 91 132.080 127.895 4.185 1
1 1044 . 6 1 1 A 114 114 MET H H 92 8.260 7.935 0.325 1
1 1045 . 6 1 1 A 114 114 MET HA H 92 5.330 4.186 1.144 1
1 1051 . 6 1 1 A 114 114 MET C C 92 176.780 176.009 0.771 1
1 1052 . 6 1 1 A 114 114 MET CA C 92 53.390 56.215 -2.825 1
1 1053 . 6 1 1 A 114 114 MET CB C 92 33.450 31.041 2.409 1
1 1055 . 6 1 1 A 114 114 MET N N 92 116.930 116.392 0.538 1
1 1056 . 6 1 1 A 115 115 LEU H H 93 8.990 8.110 0.880 1
1 1057 . 6 1 1 A 115 115 LEU HA H 93 4.550 5.061 -0.511 1
1 1067 . 6 1 1 A 115 115 LEU C C 93 176.630 175.565 1.065 1
1 1068 . 6 1 1 A 115 115 LEU CA C 93 55.140 53.481 1.659 1
1 1069 . 6 1 1 A 115 115 LEU CB C 93 44.810 42.878 1.932 1
1 1073 . 6 1 1 A 115 115 LEU N N 93 122.250 116.522 5.728 1
1 1074 . 6 1 1 A 116 116 GLN H H 94 8.280 8.551 -0.271 1
1 1075 . 6 1 1 A 116 116 GLN HA H 94 4.700 4.767 -0.067 1
1 1080 . 6 1 1 A 116 116 GLN C C 94 174.860 174.065 0.795 1
1 1081 . 6 1 1 A 116 116 GLN CA C 94 55.600 55.940 -0.340 1
1 1082 . 6 1 1 A 116 116 GLN CB C 94 33.510 33.221 0.289 1
1 1083 . 6 1 1 A 116 116 GLN N N 94 121.140 123.246 -2.106 1
1 1085 . 6 1 1 A 117 117 GLN H H 95 8.490 8.701 -0.211 1
1 1086 . 6 1 1 A 117 117 GLN HA H 95 4.080 4.861 -0.781 1
1 1093 . 6 1 1 A 117 117 GLN CA C 95 54.860 52.652 2.208 1
1 1094 . 6 1 1 A 117 117 GLN CB C 95 26.550 29.363 -2.813 1
1 1096 . 6 1 1 A 117 117 GLN N N 95 125.610 124.550 1.060 1
1 1098 . 6 1 1 A 118 118 PRO HA H 96 4.410 4.705 -0.295 1
1 1103 . 6 1 1 A 118 118 PRO C C 96 176.290 175.877 0.413 1
1 1104 . 6 1 1 A 118 118 PRO CA C 96 64.130 63.006 1.124 1
1 1105 . 6 1 1 A 118 118 PRO CB C 96 30.550 31.773 -1.223 1
1 1107 . 6 1 1 A 119 119 ALA H H 97 8.980 8.023 0.957 1
1 1108 . 6 1 1 A 119 119 ALA HA H 97 4.550 4.735 -0.185 1
1 1112 . 6 1 1 A 119 119 ALA C C 97 175.820 175.784 0.036 1
1 1113 . 6 1 1 A 119 119 ALA CA C 97 51.100 50.428 0.672 1
1 1114 . 6 1 1 A 119 119 ALA CB C 97 22.150 23.298 -1.148 1
1 1115 . 6 1 1 A 119 119 ALA N N 97 126.580 124.632 1.948 1
1 1116 . 6 1 1 A 120 120 LYS H H 98 8.710 8.575 0.135 1
1 1117 . 6 1 1 A 120 120 LYS HA H 98 4.450 4.566 -0.116 1
1 1126 . 6 1 1 A 120 120 LYS C C 98 175.950 175.463 0.487 1
1 1127 . 6 1 1 A 120 120 LYS CA C 98 56.360 57.202 -0.842 1
1 1128 . 6 1 1 A 120 120 LYS CB C 98 32.090 32.938 -0.848 1
1 1132 . 6 1 1 A 120 120 LYS N N 98 121.330 121.340 -0.010 1
1 1133 . 6 1 1 A 121 121 MET H H 99 8.130 8.228 -0.098 1
1 1138 . 6 1 1 A 121 121 MET N N 99 125.590 124.776 0.814 1
1 1139 . 6 1 1 A 122 122 GLU HA H 100 3.890 4.014 -0.124 1
1 1144 . 6 1 1 A 122 122 GLU C C 100 176.450 178.585 -2.135 1
1 1145 . 6 1 1 A 122 122 GLU CA C 100 59.740 59.839 -0.099 1
1 1146 . 6 1 1 A 122 122 GLU CB C 100 29.200 29.296 -0.096 1
1 1148 . 6 1 1 A 123 123 PHE H H 101 6.120 7.991 -1.871 1
1 1149 . 6 1 1 A 123 123 PHE HA H 101 4.430 4.507 -0.077 1
1 1152 . 6 1 1 A 123 123 PHE C C 101 173.950 175.850 -1.900 1
1 1153 . 6 1 1 A 123 123 PHE CA C 101 54.750 59.918 -5.168 1
1 1154 . 6 1 1 A 123 123 PHE CB C 101 38.630 40.099 -1.469 1
1 1155 . 6 1 1 A 123 123 PHE N N 101 108.900 121.799 -12.899 1
1 1156 . 6 1 1 A 124 124 GLY H H 102 6.670 7.177 -0.507 1
1 1157 . 6 1 1 A 124 124 GLY HA2 H 102 4.780 4.133 0.647 1
1 1158 . 6 1 1 A 124 124 GLY HA3 H 102 3.770 4.239 -0.469 1
1 1159 . 6 1 1 A 124 124 GLY C C 102 170.410 171.841 -1.431 1
1 1160 . 6 1 1 A 124 124 GLY CA C 102 44.570 45.383 -0.813 1
1 1161 . 6 1 1 A 124 124 GLY N N 102 108.900 106.627 2.273 1
1 1162 . 6 1 1 A 125 125 TYR H H 103 8.210 8.364 -0.154 1
1 1163 . 6 1 1 A 125 125 TYR HA H 103 5.080 4.810 0.270 1
1 1170 . 6 1 1 A 125 125 TYR C C 103 175.980 174.459 1.521 1
1 1171 . 6 1 1 A 125 125 TYR CA C 103 56.530 57.104 -0.574 1
1 1172 . 6 1 1 A 125 125 TYR CB C 103 40.180 38.568 1.612 1
1 1175 . 6 1 1 A 125 125 TYR N N 103 123.360 121.586 1.774 1
1 1176 . 6 1 1 A 126 126 THR H H 104 8.450 8.855 -0.405 1
1 1177 . 6 1 1 A 126 126 THR HA H 104 5.630 5.298 0.332 1
1 1182 . 6 1 1 A 126 126 THR C C 104 170.010 173.011 -3.001 1
1 1183 . 6 1 1 A 126 126 THR CA C 104 58.490 60.260 -1.770 1
1 1184 . 6 1 1 A 126 126 THR CB C 104 72.110 71.731 0.379 1
1 1186 . 6 1 1 A 126 126 THR N N 104 120.720 122.208 -1.488 1
1 1187 . 6 1 1 A 127 127 PHE H H 105 8.170 9.003 -0.833 1
1 1188 . 6 1 1 A 127 127 PHE HA H 105 4.620 5.263 -0.643 1
1 1195 . 6 1 1 A 127 127 PHE C C 105 172.490 173.256 -0.766 1
1 1196 . 6 1 1 A 127 127 PHE CA C 105 56.610 57.355 -0.745 1
1 1197 . 6 1 1 A 127 127 PHE CB C 105 41.710 42.965 -1.255 1
1 1200 . 6 1 1 A 127 127 PHE N N 105 120.530 128.076 -7.546 1
1 1201 . 6 1 1 A 128 128 THR H H 106 8.450 8.483 -0.033 1
1 1202 . 6 1 1 A 128 128 THR HA H 106 5.090 4.889 0.201 1
1 1207 . 6 1 1 A 128 128 THR C C 106 172.750 172.693 0.057 1
1 1208 . 6 1 1 A 128 128 THR CA C 106 63.340 60.699 2.641 1
1 1209 . 6 1 1 A 128 128 THR CB C 106 70.420 71.889 -1.469 1
1 1211 . 6 1 1 A 128 128 THR N N 106 114.010 119.420 -5.410 1
1 1212 . 6 1 1 A 129 129 ALA H H 107 10.030 8.951 1.079 1
1 1213 . 6 1 1 A 129 129 ALA HA H 107 5.540 5.227 0.313 1
1 1217 . 6 1 1 A 129 129 ALA C C 107 179.620 176.110 3.510 1
1 1218 . 6 1 1 A 129 129 ALA CA C 107 50.640 49.938 0.702 1
1 1219 . 6 1 1 A 129 129 ALA CB C 107 24.570 23.264 1.306 1
1 1220 . 6 1 1 A 129 129 ALA N N 107 135.110 128.243 6.867 1
1 1221 . 6 1 1 A 130 130 ALA H H 108 8.650 8.830 -0.180 1
1 1222 . 6 1 1 A 130 130 ALA HA H 108 5.380 5.390 -0.010 1
1 1226 . 6 1 1 A 130 130 ALA C C 108 175.480 175.999 -0.519 1
1 1227 . 6 1 1 A 130 130 ALA CA C 108 50.100 50.061 0.039 1
1 1228 . 6 1 1 A 130 130 ALA CB C 108 22.770 22.455 0.315 1
1 1229 . 6 1 1 A 130 130 ALA N N 108 121.150 122.283 -1.133 1
1 1230 . 6 1 1 A 131 131 ASP H H 109 8.770 8.777 -0.007 1
1 1231 . 6 1 1 A 131 131 ASP HA H 109 3.910 4.973 -1.063 1
1 1234 . 6 1 1 A 131 131 ASP CA C 109 51.290 51.582 -0.292 1
1 1235 . 6 1 1 A 131 131 ASP CB C 109 41.350 42.857 -1.507 1
1 1236 . 6 1 1 A 131 131 ASP N N 109 123.100 117.426 5.674 1
1 1237 . 6 1 1 A 132 132 PRO HA H 110 4.140 4.325 -0.185 1
1 1242 . 6 1 1 A 132 132 PRO C C 110 176.890 176.622 0.268 1
1 1243 . 6 1 1 A 132 132 PRO CA C 110 65.730 64.071 1.659 1
1 1244 . 6 1 1 A 132 132 PRO CB C 110 31.850 31.525 0.325 1
1 1246 . 6 1 1 A 133 133 ASP H H 111 8.740 7.495 1.245 1
1 1247 . 6 1 1 A 133 133 ASP HA H 111 4.800 4.623 0.177 1
1 1250 . 6 1 1 A 133 133 ASP C C 111 173.720 175.213 -1.493 1
1 1251 . 6 1 1 A 133 133 ASP CA C 111 54.140 52.856 1.284 1
1 1252 . 6 1 1 A 133 133 ASP CB C 111 42.910 40.405 2.505 1
1 1253 . 6 1 1 A 133 133 ASP N N 111 118.220 117.491 0.729 1
1 1254 . 6 1 1 A 134 134 SER H H 112 8.370 7.626 0.744 1
1 1255 . 6 1 1 A 134 134 SER HA H 112 3.710 3.981 -0.271 1
1 1258 . 6 1 1 A 134 134 SER CA C 112 60.670 59.528 1.142 1
1 1259 . 6 1 1 A 134 134 SER CB C 112 61.430 61.070 0.360 1
1 1260 . 6 1 1 A 134 134 SER N N 112 109.220 112.779 -3.559 1
1 1261 . 6 1 1 A 135 135 HIS H H 113 8.850 7.633 1.217 1
1 1268 . 6 1 1 A 135 135 HIS N N 113 122.820 118.676 4.144 1
1 1269 . 6 1 1 A 136 136 ARG HA H 114 4.680 4.928 -0.248 1
1 1270 . 6 1 1 A 136 136 ARG C C 114 175.220 175.441 -0.221 1
1 1271 . 6 1 1 A 136 136 ARG CA C 114 57.560 54.952 2.608 1
1 1272 . 6 1 1 A 137 137 LEU H H 115 8.680 8.849 -0.169 1
1 1273 . 6 1 1 A 137 137 LEU HA H 115 5.490 5.134 0.356 1
1 1282 . 6 1 1 A 137 137 LEU C C 115 174.620 175.071 -0.451 1
1 1283 . 6 1 1 A 137 137 LEU CA C 115 52.580 53.886 -1.306 1
1 1284 . 6 1 1 A 137 137 LEU CB C 115 43.070 43.635 -0.565 1
1 1287 . 6 1 1 A 137 137 LEU N N 115 123.990 125.956 -1.966 1
1 1288 . 6 1 1 A 138 138 ARG H H 116 9.510 9.253 0.257 1
1 1289 . 6 1 1 A 138 138 ARG HA H 116 5.120 5.152 -0.032 1
1 1292 . 6 1 1 A 138 138 ARG C C 116 175.090 175.084 0.006 1
1 1293 . 6 1 1 A 138 138 ARG CA C 116 54.700 55.128 -0.428 1
1 1294 . 6 1 1 A 138 138 ARG CB C 116 33.480 31.819 1.661 1
1 1295 . 6 1 1 A 138 138 ARG N N 116 125.370 126.786 -1.416 1
1 1296 . 6 1 1 A 139 139 VAL H H 117 7.970 8.912 -0.942 1
1 1297 . 6 1 1 A 139 139 VAL HA H 117 5.280 5.495 -0.215 1
1 1305 . 6 1 1 A 139 139 VAL C C 117 176.390 175.136 1.254 1
1 1306 . 6 1 1 A 139 139 VAL CA C 117 60.090 61.112 -1.022 1
1 1307 . 6 1 1 A 139 139 VAL CB C 117 32.690 34.840 -2.150 1
1 1310 . 6 1 1 A 139 139 VAL N N 117 128.260 125.292 2.968 1
1 1311 . 6 1 1 A 140 140 TYR H H 118 9.200 8.821 0.379 1
1 1312 . 6 1 1 A 140 140 TYR HA H 118 5.800 6.014 -0.214 1
1 1319 . 6 1 1 A 140 140 TYR C C 118 170.820 172.894 -2.074 1
1 1320 . 6 1 1 A 140 140 TYR CA C 118 56.060 55.358 0.702 1
1 1321 . 6 1 1 A 140 140 TYR CB C 118 42.460 41.686 0.774 1
1 1324 . 6 1 1 A 140 140 TYR N N 118 127.020 123.406 3.614 1
1 1325 . 6 1 1 A 141 141 ALA H H 119 8.330 9.056 -0.726 1
1 1326 . 6 1 1 A 141 141 ALA HA H 119 4.560 5.214 -0.654 1
1 1330 . 6 1 1 A 141 141 ALA C C 119 177.150 175.928 1.222 1
1 1331 . 6 1 1 A 141 141 ALA CA C 119 50.530 50.304 0.226 1
1 1332 . 6 1 1 A 141 141 ALA CB C 119 21.220 21.334 -0.114 1
1 1333 . 6 1 1 A 141 141 ALA N N 119 121.160 122.906 -1.746 1
1 1334 . 6 1 1 A 142 142 PHE H H 120 8.780 8.446 0.334 1
1 1335 . 6 1 1 A 142 142 PHE HA H 120 4.910 4.677 0.233 1
1 1340 . 6 1 1 A 142 142 PHE C C 120 175.090 174.133 0.957 1
1 1341 . 6 1 1 A 142 142 PHE CA C 120 57.720 56.850 0.870 1
1 1342 . 6 1 1 A 142 142 PHE CB C 120 40.810 39.270 1.540 1
1 1344 . 6 1 1 A 142 142 PHE N N 120 122.630 125.759 -3.129 1
1 1345 . 6 1 1 A 143 143 ALA H H 121 8.190 8.418 -0.228 1
1 1346 . 6 1 1 A 143 143 ALA HA H 121 4.330 4.278 0.052 1
1 1350 . 6 1 1 A 143 143 ALA C C 121 176.260 176.554 -0.294 1
1 1351 . 6 1 1 A 143 143 ALA CA C 121 52.280 51.789 0.491 1
1 1352 . 6 1 1 A 143 143 ALA CB C 121 19.310 18.352 0.958 1
1 1353 . 6 1 1 A 143 143 ALA N N 121 129.460 129.893 -0.433 1
1 16 . 7 1 1 A 24 24 THR H H 2 8.350 7.633 0.717 1
1 17 . 7 1 1 A 24 24 THR HA H 2 4.470 5.101 -0.631 1
1 22 . 7 1 1 A 24 24 THR CA C 2 61.890 61.770 0.120 1
1 23 . 7 1 1 A 24 24 THR CB C 2 69.630 72.668 -3.038 1
1 25 . 7 1 1 A 24 24 THR N N 2 117.720 112.910 4.810 1
1 26 . 7 1 1 A 25 25 HIS H H 3 8.630 8.672 -0.042 1
1 27 . 7 1 1 A 25 25 HIS HA H 3 5.200 5.240 -0.040 1
1 30 . 7 1 1 A 25 25 HIS CA C 3 51.620 53.653 -2.033 1
1 31 . 7 1 1 A 25 25 HIS CB C 3 33.320 31.084 2.236 1
1 32 . 7 1 1 A 25 25 HIS N N 3 124.890 123.365 1.525 1
1 33 . 7 1 1 A 26 26 PRO HA H 4 4.170 4.579 -0.409 1
1 40 . 7 1 1 A 26 26 PRO C C 4 175.740 176.496 -0.756 1
1 41 . 7 1 1 A 26 26 PRO CA C 4 62.740 62.237 0.503 1
1 42 . 7 1 1 A 26 26 PRO CB C 4 31.460 29.045 2.415 1
1 45 . 7 1 1 A 27 27 ASP H H 5 8.270 8.103 0.167 1
1 46 . 7 1 1 A 27 27 ASP HA H 5 4.810 4.594 0.216 1
1 49 . 7 1 1 A 27 27 ASP C C 5 175.400 175.655 -0.255 1
1 50 . 7 1 1 A 27 27 ASP CA C 5 53.310 54.280 -0.970 1
1 51 . 7 1 1 A 27 27 ASP CB C 5 42.390 39.811 2.579 1
1 52 . 7 1 1 A 27 27 ASP N N 5 119.440 121.199 -1.759 1
1 53 . 7 1 1 A 28 28 PHE H H 6 7.280 7.710 -0.430 1
1 54 . 7 1 1 A 28 28 PHE HA H 6 5.440 4.887 0.553 1
1 61 . 7 1 1 A 28 28 PHE C C 6 174.180 173.486 0.694 1
1 62 . 7 1 1 A 28 28 PHE CA C 6 54.590 56.615 -2.025 1
1 63 . 7 1 1 A 28 28 PHE CB C 6 42.310 42.411 -0.101 1
1 66 . 7 1 1 A 28 28 PHE N N 6 118.410 120.260 -1.850 1
1 67 . 7 1 1 A 29 29 THR H H 7 8.500 8.734 -0.234 1
1 68 . 7 1 1 A 29 29 THR HA H 7 4.800 4.900 -0.100 1
1 73 . 7 1 1 A 29 29 THR C C 7 172.280 172.783 -0.503 1
1 74 . 7 1 1 A 29 29 THR CA C 7 62.550 59.992 2.558 1
1 75 . 7 1 1 A 29 29 THR CB C 7 70.420 71.372 -0.952 1
1 77 . 7 1 1 A 29 29 THR N N 7 123.070 120.939 2.131 1
1 78 . 7 1 1 A 30 30 ILE H H 8 9.270 8.611 0.659 1
1 79 . 7 1 1 A 30 30 ILE HA H 8 4.680 4.569 0.111 1
1 89 . 7 1 1 A 30 30 ILE C C 8 173.970 174.681 -0.711 1
1 90 . 7 1 1 A 30 30 ILE CA C 8 59.220 59.365 -0.145 1
1 91 . 7 1 1 A 30 30 ILE CB C 8 40.210 41.779 -1.569 1
1 95 . 7 1 1 A 30 30 ILE N N 8 126.920 127.043 -0.123 1
1 96 . 7 1 1 A 31 31 LEU H H 9 8.760 8.435 0.325 1
1 97 . 7 1 1 A 31 31 LEU HA H 9 4.330 4.755 -0.425 1
1 107 . 7 1 1 A 31 31 LEU C C 9 176.520 175.172 1.348 1
1 108 . 7 1 1 A 31 31 LEU CA C 9 52.960 53.542 -0.582 1
1 109 . 7 1 1 A 31 31 LEU CB C 9 41.820 44.264 -2.444 1
1 113 . 7 1 1 A 31 31 LEU N N 9 126.000 125.835 0.165 1
1 114 . 7 1 1 A 32 32 TYR H H 10 8.190 8.676 -0.486 1
1 115 . 7 1 1 A 32 32 TYR HA H 10 5.980 5.614 0.366 1
1 118 . 7 1 1 A 32 32 TYR C C 10 177.720 176.133 1.587 1
1 119 . 7 1 1 A 32 32 TYR CA C 10 53.120 57.241 -4.121 1
1 120 . 7 1 1 A 32 32 TYR CB C 10 36.560 39.716 -3.156 1
1 121 . 7 1 1 A 32 32 TYR N N 10 122.130 123.521 -1.391 1
1 122 . 7 1 1 A 33 33 VAL H H 11 8.470 8.827 -0.357 1
1 123 . 7 1 1 A 33 33 VAL HA H 11 4.990 5.003 -0.013 1
1 131 . 7 1 1 A 33 33 VAL C C 11 176.030 175.287 0.743 1
1 132 . 7 1 1 A 33 33 VAL CA C 11 58.240 59.072 -0.832 1
1 133 . 7 1 1 A 33 33 VAL CB C 11 35.090 34.775 0.315 1
1 136 . 7 1 1 A 33 33 VAL N N 11 113.820 118.318 -4.498 1
1 137 . 7 1 1 A 34 34 ASP H H 12 9.750 9.107 0.643 1
1 138 . 7 1 1 A 34 34 ASP HA H 12 4.550 4.763 -0.213 1
1 141 . 7 1 1 A 34 34 ASP C C 12 177.230 175.492 1.738 1
1 142 . 7 1 1 A 34 34 ASP CA C 12 58.000 56.066 1.934 1
1 143 . 7 1 1 A 34 34 ASP CB C 12 42.780 41.536 1.244 1
1 144 . 7 1 1 A 34 34 ASP N N 12 124.140 121.358 2.782 1
1 145 . 7 1 1 A 35 35 ASN H H 13 9.250 7.573 1.677 1
1 146 . 7 1 1 A 35 35 ASN HA H 13 5.120 4.989 0.131 1
1 151 . 7 1 1 A 35 35 ASN CA C 13 50.610 50.141 0.469 1
1 152 . 7 1 1 A 35 35 ASN CB C 13 39.920 39.498 0.422 1
1 153 . 7 1 1 A 35 35 ASN N N 13 114.460 117.297 -2.837 1
1 155 . 7 1 1 A 37 37 PRO HA H 15 4.350 4.293 0.057 1
1 162 . 7 1 1 A 37 37 PRO C C 15 179.310 179.326 -0.016 1
1 163 . 7 1 1 A 37 37 PRO CA C 15 67.480 66.638 0.842 1
1 164 . 7 1 1 A 37 37 PRO CB C 15 31.340 30.782 0.558 1
1 167 . 7 1 1 A 38 38 ALA H H 16 7.740 8.171 -0.431 1
1 168 . 7 1 1 A 38 38 ALA HA H 16 4.310 4.135 0.175 1
1 172 . 7 1 1 A 38 38 ALA C C 16 182.490 180.021 2.469 1
1 173 . 7 1 1 A 38 38 ALA CA C 16 55.160 55.151 0.009 1
1 174 . 7 1 1 A 38 38 ALA CB C 16 18.360 18.357 0.003 1
1 175 . 7 1 1 A 38 38 ALA N N 16 121.510 119.508 2.002 1
1 176 . 7 1 1 A 39 39 SER H H 17 8.770 8.056 0.714 1
1 177 . 7 1 1 A 39 39 SER HA H 17 4.190 4.346 -0.156 1
1 180 . 7 1 1 A 39 39 SER C C 17 175.610 177.544 -1.934 1
1 181 . 7 1 1 A 39 39 SER CA C 17 64.260 61.591 2.669 1
1 182 . 7 1 1 A 39 39 SER CB C 17 62.790 62.600 0.190 1
1 183 . 7 1 1 A 39 39 SER N N 17 117.520 113.135 4.385 1
1 184 . 7 1 1 A 40 40 THR H H 18 9.310 8.085 1.225 1
1 185 . 7 1 1 A 40 40 THR HA H 18 4.480 4.082 0.398 1
1 190 . 7 1 1 A 40 40 THR C C 18 175.590 176.910 -1.320 1
1 191 . 7 1 1 A 40 40 THR CA C 18 68.130 67.400 0.730 1
1 192 . 7 1 1 A 40 40 THR CB C 18 68.480 68.657 -0.177 1
1 194 . 7 1 1 A 40 40 THR N N 18 120.600 116.939 3.661 1
1 195 . 7 1 1 A 41 41 GLN H H 19 7.610 7.778 -0.168 1
1 196 . 7 1 1 A 41 41 GLN HA H 19 4.080 4.043 0.037 1
1 203 . 7 1 1 A 41 41 GLN C C 19 178.110 178.308 -0.198 1
1 204 . 7 1 1 A 41 41 GLN CA C 19 59.170 59.069 0.101 1
1 205 . 7 1 1 A 41 41 GLN CB C 19 28.170 28.138 0.032 1
1 207 . 7 1 1 A 41 41 GLN N N 19 120.130 119.670 0.460 1
1 209 . 7 1 1 A 42 42 PHE H H 20 7.710 7.934 -0.224 1
1 210 . 7 1 1 A 42 42 PHE HA H 20 4.080 4.205 -0.125 1
1 218 . 7 1 1 A 42 42 PHE C C 20 177.460 177.003 0.457 1
1 219 . 7 1 1 A 42 42 PHE CA C 20 61.760 61.447 0.313 1
1 220 . 7 1 1 A 42 42 PHE CB C 20 38.590 38.978 -0.388 1
1 224 . 7 1 1 A 42 42 PHE N N 20 120.560 122.317 -1.757 1
1 225 . 7 1 1 A 43 43 TYR H H 21 8.890 8.354 0.536 1
1 226 . 7 1 1 A 43 43 TYR HA H 21 3.700 4.177 -0.477 1
1 233 . 7 1 1 A 43 43 TYR C C 21 177.640 178.203 -0.563 1
1 234 . 7 1 1 A 43 43 TYR CA C 21 64.290 61.663 2.627 1
1 235 . 7 1 1 A 43 43 TYR CB C 21 38.110 37.382 0.728 1
1 238 . 7 1 1 A 43 43 TYR N N 21 118.420 118.245 0.175 1
1 239 . 7 1 1 A 44 44 LYS H H 22 8.860 8.030 0.830 1
1 240 . 7 1 1 A 44 44 LYS HA H 22 4.630 3.722 0.908 1
1 249 . 7 1 1 A 44 44 LYS C C 22 179.780 178.872 0.908 1
1 250 . 7 1 1 A 44 44 LYS CA C 22 59.630 59.611 0.019 1
1 251 . 7 1 1 A 44 44 LYS CB C 22 33.210 32.398 0.812 1
1 255 . 7 1 1 A 44 44 LYS N N 22 122.200 119.866 2.334 1
1 256 . 7 1 1 A 45 45 ALA H H 23 7.180 7.526 -0.346 1
1 257 . 7 1 1 A 45 45 ALA HA H 23 4.040 4.057 -0.017 1
1 261 . 7 1 1 A 45 45 ALA C C 23 179.130 180.229 -1.099 1
1 262 . 7 1 1 A 45 45 ALA CA C 23 54.350 54.599 -0.249 1
1 263 . 7 1 1 A 45 45 ALA CB C 23 18.030 18.395 -0.365 1
1 264 . 7 1 1 A 45 45 ALA N N 23 120.710 121.838 -1.128 1
1 265 . 7 1 1 A 46 46 LEU H H 24 7.510 7.711 -0.201 1
1 266 . 7 1 1 A 46 46 LEU HA H 24 3.550 3.951 -0.401 1
1 276 . 7 1 1 A 46 46 LEU C C 24 178.680 178.343 0.337 1
1 277 . 7 1 1 A 46 46 LEU CA C 24 57.910 57.240 0.670 1
1 278 . 7 1 1 A 46 46 LEU CB C 24 43.950 41.229 2.721 1
1 282 . 7 1 1 A 46 46 LEU N N 24 118.650 120.338 -1.688 1
1 283 . 7 1 1 A 47 47 LEU H H 25 8.800 7.563 1.237 1
1 284 . 7 1 1 A 47 47 LEU HA H 25 4.480 4.604 -0.124 1
1 294 . 7 1 1 A 47 47 LEU C C 25 178.960 177.170 1.790 1
1 295 . 7 1 1 A 47 47 LEU CA C 25 55.010 56.130 -1.120 1
1 296 . 7 1 1 A 47 47 LEU CB C 25 42.500 42.759 -0.259 1
1 300 . 7 1 1 A 47 47 LEU N N 25 112.540 117.351 -4.811 1
1 301 . 7 1 1 A 48 48 GLY H H 26 7.810 8.212 -0.402 1
1 302 . 7 1 1 A 48 48 GLY HA2 H 26 4.030 4.000 0.030 1
1 303 . 7 1 1 A 48 48 GLY HA3 H 26 3.900 4.024 -0.124 1
1 304 . 7 1 1 A 48 48 GLY C C 26 173.560 173.777 -0.217 1
1 305 . 7 1 1 A 48 48 GLY CA C 26 46.810 45.396 1.414 1
1 306 . 7 1 1 A 48 48 GLY N N 26 107.650 106.709 0.941 1
1 307 . 7 1 1 A 49 49 VAL H H 27 7.100 7.515 -0.415 1
1 308 . 7 1 1 A 49 49 VAL HA H 27 4.700 4.872 -0.172 1
1 316 . 7 1 1 A 49 49 VAL C C 27 172.980 173.824 -0.844 1
1 317 . 7 1 1 A 49 49 VAL CA C 27 58.680 59.119 -0.439 1
1 318 . 7 1 1 A 49 49 VAL CB C 27 36.090 36.228 -0.138 1
1 321 . 7 1 1 A 49 49 VAL N N 27 110.770 115.392 -4.622 1
1 322 . 7 1 1 A 50 50 ASP H H 28 8.100 8.774 -0.674 1
1 323 . 7 1 1 A 50 50 ASP HA H 28 4.930 5.142 -0.212 1
1 326 . 7 1 1 A 50 50 ASP CA C 28 52.550 50.660 1.890 1
1 327 . 7 1 1 A 50 50 ASP CB C 28 40.520 44.594 -4.074 1
1 328 . 7 1 1 A 50 50 ASP N N 28 119.760 120.625 -0.865 1
1 329 . 7 1 1 A 51 51 PRO HA H 29 3.700 4.825 -1.125 1
1 336 . 7 1 1 A 51 51 PRO C C 29 176.580 177.960 -1.380 1
1 337 . 7 1 1 A 51 51 PRO CA C 29 62.900 62.992 -0.092 1
1 338 . 7 1 1 A 51 51 PRO CB C 29 30.550 31.844 -1.294 1
1 341 . 7 1 1 A 52 52 VAL H H 30 8.340 8.638 -0.298 1
1 342 . 7 1 1 A 52 52 VAL HA H 30 4.080 3.974 0.106 1
1 350 . 7 1 1 A 52 52 VAL C C 30 176.190 175.861 0.329 1
1 351 . 7 1 1 A 52 52 VAL CA C 30 62.790 64.451 -1.661 1
1 352 . 7 1 1 A 52 52 VAL CB C 30 32.280 32.161 0.119 1
1 355 . 7 1 1 A 52 52 VAL N N 30 117.320 125.189 -7.869 1
1 356 . 7 1 1 A 53 53 GLU H H 31 7.170 7.735 -0.565 1
1 357 . 7 1 1 A 53 53 GLU HA H 31 4.580 4.663 -0.083 1
1 362 . 7 1 1 A 53 53 GLU C C 31 174.940 175.196 -0.256 1
1 363 . 7 1 1 A 53 53 GLU CA C 31 55.330 55.407 -0.077 1
1 364 . 7 1 1 A 53 53 GLU CB C 31 33.370 30.199 3.171 1
1 366 . 7 1 1 A 53 53 GLU N N 31 118.180 120.002 -1.822 1
1 367 . 7 1 1 A 54 54 SER H H 32 8.650 8.739 -0.089 1
1 368 . 7 1 1 A 54 54 SER HA H 32 5.130 5.088 0.042 1
1 371 . 7 1 1 A 54 54 SER C C 32 171.990 173.521 -1.531 1
1 372 . 7 1 1 A 54 54 SER CA C 32 57.940 57.056 0.884 1
1 373 . 7 1 1 A 54 54 SER CB C 32 64.720 64.943 -0.223 1
1 374 . 7 1 1 A 54 54 SER N N 32 117.210 120.414 -3.204 1
1 375 . 7 1 1 A 55 55 SER H H 33 8.760 8.413 0.347 1
1 376 . 7 1 1 A 55 55 SER N N 33 124.420 116.939 7.481 1
1 377 . 7 1 1 A 56 56 PRO HA H 34 4.320 4.455 -0.135 1
1 382 . 7 1 1 A 56 56 PRO C C 34 177.290 177.150 0.140 1
1 383 . 7 1 1 A 56 56 PRO CA C 34 65.750 64.628 1.122 1
1 384 . 7 1 1 A 56 56 PRO CB C 34 32.490 32.140 0.350 1
1 386 . 7 1 1 A 57 57 THR H H 35 7.810 8.194 -0.384 1
1 387 . 7 1 1 A 57 57 THR HA H 35 4.630 4.844 -0.214 1
1 392 . 7 1 1 A 57 57 THR C C 35 174.080 173.948 0.132 1
1 393 . 7 1 1 A 57 57 THR CA C 35 61.860 61.428 0.432 1
1 394 . 7 1 1 A 57 57 THR CB C 35 70.940 70.243 0.697 1
1 396 . 7 1 1 A 57 57 THR N N 35 101.710 110.847 -9.137 1
1 397 . 7 1 1 A 58 58 PHE H H 36 7.670 7.714 -0.044 1
1 398 . 7 1 1 A 58 58 PHE HA H 36 5.780 4.986 0.794 1
1 405 . 7 1 1 A 58 58 PHE CA C 36 57.820 58.209 -0.389 1
1 406 . 7 1 1 A 58 58 PHE CB C 36 43.010 42.571 0.439 1
1 409 . 7 1 1 A 58 58 PHE N N 36 124.370 120.948 3.422 1
1 410 . 7 1 1 A 59 59 SER H H 37 8.070 8.009 0.061 1
1 411 . 7 1 1 A 59 59 SER HA H 37 4.890 5.040 -0.150 1
1 414 . 7 1 1 A 59 59 SER C C 37 170.010 172.257 -2.247 1
1 415 . 7 1 1 A 59 59 SER CA C 37 56.660 57.329 -0.669 1
1 416 . 7 1 1 A 59 59 SER CB C 37 67.490 66.259 1.231 1
1 417 . 7 1 1 A 59 59 SER N N 37 122.930 120.411 2.519 1
1 418 . 7 1 1 A 60 60 LEU H H 38 8.140 8.854 -0.714 1
1 419 . 7 1 1 A 60 60 LEU HA H 38 4.810 4.793 0.017 1
1 429 . 7 1 1 A 60 60 LEU C C 38 174.000 174.823 -0.823 1
1 430 . 7 1 1 A 60 60 LEU CA C 38 53.750 53.568 0.182 1
1 431 . 7 1 1 A 60 60 LEU CB C 38 47.250 44.953 2.297 1
1 435 . 7 1 1 A 60 60 LEU N N 38 122.030 126.965 -4.935 1
1 436 . 7 1 1 A 61 61 PHE H H 39 9.460 8.374 1.086 1
1 437 . 7 1 1 A 61 61 PHE HA H 39 4.580 5.563 -0.983 1
1 444 . 7 1 1 A 61 61 PHE C C 39 174.390 173.035 1.355 1
1 445 . 7 1 1 A 61 61 PHE CA C 39 57.180 55.410 1.770 1
1 446 . 7 1 1 A 61 61 PHE CB C 39 41.570 41.766 -0.196 1
1 449 . 7 1 1 A 61 61 PHE N N 39 124.820 123.726 1.094 1
1 450 . 7 1 1 A 62 62 VAL H H 40 8.640 9.094 -0.454 1
1 451 . 7 1 1 A 62 62 VAL HA H 40 4.260 4.942 -0.682 1
1 459 . 7 1 1 A 62 62 VAL C C 40 175.380 174.124 1.256 1
1 460 . 7 1 1 A 62 62 VAL CA C 40 62.520 59.520 3.000 1
1 461 . 7 1 1 A 62 62 VAL CB C 40 32.470 34.257 -1.787 1
1 464 . 7 1 1 A 62 62 VAL N N 40 122.650 125.295 -2.645 1
1 465 . 7 1 1 A 63 63 LEU H H 41 8.710 8.748 -0.038 1
1 466 . 7 1 1 A 63 63 LEU HA H 41 4.590 4.861 -0.271 1
1 476 . 7 1 1 A 63 63 LEU CA C 41 53.560 53.360 0.200 1
1 477 . 7 1 1 A 63 63 LEU CB C 41 41.600 43.939 -2.339 1
1 481 . 7 1 1 A 63 63 LEU N N 41 126.170 128.013 -1.843 1
1 482 . 7 1 1 A 64 64 ALA HA H 42 4.040 4.006 0.034 1
1 486 . 7 1 1 A 64 64 ALA CA C 42 55.050 54.847 0.203 1
1 487 . 7 1 1 A 64 64 ALA CB C 42 18.580 18.386 0.194 1
1 488 . 7 1 1 A 65 65 ASN H H 43 7.680 7.921 -0.241 1
1 489 . 7 1 1 A 65 65 ASN HA H 43 4.520 4.656 -0.136 1
1 494 . 7 1 1 A 65 65 ASN C C 43 175.860 175.715 0.145 1
1 495 . 7 1 1 A 65 65 ASN CA C 43 52.530 52.670 -0.140 1
1 496 . 7 1 1 A 65 65 ASN CB C 43 37.800 38.641 -0.841 1
1 497 . 7 1 1 A 65 65 ASN N N 43 112.130 112.512 -0.382 1
1 499 . 7 1 1 A 66 66 GLY H H 44 8.070 7.749 0.321 1
1 500 . 7 1 1 A 66 66 GLY HA2 H 44 4.330 3.994 0.336 1
1 501 . 7 1 1 A 66 66 GLY HA3 H 44 3.480 3.995 -0.515 1
1 502 . 7 1 1 A 66 66 GLY C C 44 174.260 174.446 -0.186 1
1 503 . 7 1 1 A 66 66 GLY CA C 44 44.930 45.118 -0.188 1
1 504 . 7 1 1 A 66 66 GLY N N 44 107.650 108.745 -1.095 1
1 505 . 7 1 1 A 67 67 MET H H 45 7.900 7.961 -0.061 1
1 506 . 7 1 1 A 67 67 MET HA H 45 4.420 4.865 -0.445 1
1 514 . 7 1 1 A 67 67 MET CA C 45 55.520 53.999 1.521 1
1 515 . 7 1 1 A 67 67 MET CB C 45 33.630 35.185 -1.555 1
1 518 . 7 1 1 A 67 67 MET N N 45 121.850 119.135 2.715 1
1 519 . 7 1 1 A 68 68 LYS HA H 46 5.040 5.138 -0.098 1
1 528 . 7 1 1 A 68 68 LYS C C 46 174.600 174.125 0.475 1
1 529 . 7 1 1 A 68 68 LYS CA C 46 55.410 54.777 0.633 1
1 530 . 7 1 1 A 68 68 LYS CB C 46 34.460 36.031 -1.571 1
1 534 . 7 1 1 A 69 69 LEU H H 47 8.830 8.705 0.125 1
1 535 . 7 1 1 A 69 69 LEU HA H 47 5.450 5.404 0.046 1
1 545 . 7 1 1 A 69 69 LEU C C 47 174.880 174.994 -0.114 1
1 546 . 7 1 1 A 69 69 LEU CA C 47 52.980 53.357 -0.377 1
1 547 . 7 1 1 A 69 69 LEU CB C 47 46.560 45.141 1.419 1
1 551 . 7 1 1 A 69 69 LEU N N 47 124.960 127.641 -2.681 1
1 552 . 7 1 1 A 70 70 GLY H H 48 9.580 9.013 0.567 1
1 553 . 7 1 1 A 70 70 GLY HA2 H 48 5.220 3.763 1.457 1
1 554 . 7 1 1 A 70 70 GLY HA3 H 48 3.090 3.912 -0.822 1
1 555 . 7 1 1 A 70 70 GLY C C 48 170.590 171.505 -0.915 1
1 556 . 7 1 1 A 70 70 GLY CA C 48 43.370 43.765 -0.395 1
1 557 . 7 1 1 A 70 70 GLY N N 48 113.940 113.428 0.512 1
1 558 . 7 1 1 A 71 71 LEU H H 49 8.250 7.920 0.330 1
1 559 . 7 1 1 A 71 71 LEU HA H 49 5.150 4.783 0.367 1
1 569 . 7 1 1 A 71 71 LEU C C 49 173.920 173.971 -0.051 1
1 570 . 7 1 1 A 71 71 LEU CA C 49 52.770 53.986 -1.216 1
1 571 . 7 1 1 A 71 71 LEU CB C 49 43.100 44.706 -1.606 1
1 575 . 7 1 1 A 71 71 LEU N N 49 122.270 120.652 1.618 1
1 576 . 7 1 1 A 72 72 TRP H H 50 8.960 8.717 0.243 1
1 577 . 7 1 1 A 72 72 TRP HA H 50 5.860 5.549 0.311 1
1 584 . 7 1 1 A 72 72 TRP C C 50 175.740 175.666 0.074 1
1 585 . 7 1 1 A 72 72 TRP CA C 50 53.170 55.296 -2.126 1
1 586 . 7 1 1 A 72 72 TRP CB C 50 34.990 32.331 2.659 1
1 590 . 7 1 1 A 72 72 TRP N N 50 125.010 130.078 -5.068 1
1 592 . 7 1 1 A 73 73 SER H H 51 9.010 8.831 0.179 1
1 593 . 7 1 1 A 73 73 SER HA H 51 4.570 4.848 -0.278 1
1 596 . 7 1 1 A 73 73 SER C C 51 176.240 175.831 0.409 1
1 597 . 7 1 1 A 73 73 SER CA C 51 58.490 59.433 -0.943 1
1 598 . 7 1 1 A 73 73 SER CB C 51 63.770 63.484 0.286 1
1 599 . 7 1 1 A 73 73 SER N N 51 120.380 123.547 -3.167 1
1 600 . 7 1 1 A 74 74 ARG H H 52 9.420 8.861 0.559 1
1 601 . 7 1 1 A 74 74 ARG HA H 52 3.460 3.740 -0.280 1
1 608 . 7 1 1 A 74 74 ARG C C 52 175.610 176.587 -0.977 1
1 609 . 7 1 1 A 74 74 ARG CA C 52 57.590 57.906 -0.316 1
1 610 . 7 1 1 A 74 74 ARG CB C 52 28.900 29.500 -0.600 1
1 613 . 7 1 1 A 74 74 ARG N N 52 128.770 124.738 4.032 1
1 614 . 7 1 1 A 75 75 HIS H H 53 7.910 7.846 0.064 1
1 615 . 7 1 1 A 75 75 HIS HA H 53 4.310 4.468 -0.158 1
1 619 . 7 1 1 A 75 75 HIS C C 53 176.610 175.618 0.992 1
1 620 . 7 1 1 A 75 75 HIS CA C 53 57.190 57.183 0.007 1
1 621 . 7 1 1 A 75 75 HIS CB C 53 31.260 29.508 1.752 1
1 623 . 7 1 1 A 75 75 HIS N N 53 117.320 117.007 0.313 1
1 624 . 7 1 1 A 76 76 THR H H 54 7.360 7.276 0.084 1
1 625 . 7 1 1 A 76 76 THR HA H 54 4.540 4.349 0.191 1
1 630 . 7 1 1 A 76 76 THR C C 54 175.120 173.985 1.135 1
1 631 . 7 1 1 A 76 76 THR CA C 54 61.840 61.160 0.680 1
1 632 . 7 1 1 A 76 76 THR CB C 54 69.680 69.131 0.549 1
1 634 . 7 1 1 A 76 76 THR N N 54 107.350 112.803 -5.453 1
1 635 . 7 1 1 A 77 77 VAL H H 55 6.630 7.082 -0.452 1
1 636 . 7 1 1 A 77 77 VAL HA H 55 2.700 2.618 0.082 1
1 644 . 7 1 1 A 77 77 VAL C C 55 173.920 174.691 -0.771 1
1 645 . 7 1 1 A 77 77 VAL CA C 55 63.500 61.791 1.709 1
1 646 . 7 1 1 A 77 77 VAL CB C 55 31.270 31.664 -0.394 1
1 649 . 7 1 1 A 77 77 VAL N N 55 123.760 121.882 1.878 1
1 650 . 7 1 1 A 78 78 GLU H H 56 6.010 8.207 -2.197 1
1 651 . 7 1 1 A 78 78 GLU HA H 56 4.160 4.754 -0.594 1
1 656 . 7 1 1 A 78 78 GLU CA C 56 53.120 52.443 0.677 1
1 657 . 7 1 1 A 78 78 GLU CB C 56 32.240 31.196 1.044 1
1 659 . 7 1 1 A 78 78 GLU N N 56 124.820 128.069 -3.249 1
1 660 . 7 1 1 A 79 79 PRO HA H 57 4.620 4.556 0.064 1
1 667 . 7 1 1 A 79 79 PRO C C 57 176.190 176.546 -0.356 1
1 668 . 7 1 1 A 79 79 PRO CA C 57 61.890 62.345 -0.455 1
1 669 . 7 1 1 A 79 79 PRO CB C 57 33.620 32.155 1.465 1
1 672 . 7 1 1 A 80 80 LYS H H 58 8.340 8.184 0.156 1
1 673 . 7 1 1 A 80 80 LYS HA H 58 3.880 4.118 -0.238 1
1 682 . 7 1 1 A 80 80 LYS C C 58 177.100 176.496 0.604 1
1 683 . 7 1 1 A 80 80 LYS CA C 58 57.610 56.799 0.811 1
1 684 . 7 1 1 A 80 80 LYS CB C 58 32.400 32.349 0.051 1
1 688 . 7 1 1 A 80 80 LYS N N 58 121.510 122.425 -0.915 1
1 689 . 7 1 1 A 81 81 ALA H H 59 8.430 8.435 -0.005 1
1 690 . 7 1 1 A 81 81 ALA HA H 59 4.870 4.813 0.057 1
1 694 . 7 1 1 A 81 81 ALA C C 59 177.460 176.032 1.428 1
1 695 . 7 1 1 A 81 81 ALA CA C 59 51.020 51.477 -0.457 1
1 696 . 7 1 1 A 81 81 ALA CB C 59 22.910 20.492 2.418 1
1 697 . 7 1 1 A 81 81 ALA N N 59 129.030 126.780 2.250 1
1 698 . 7 1 1 A 82 82 SER H H 60 9.680 8.846 0.834 1
1 699 . 7 1 1 A 82 82 SER HA H 60 4.510 4.767 -0.257 1
1 702 . 7 1 1 A 82 82 SER C C 60 172.960 173.454 -0.494 1
1 703 . 7 1 1 A 82 82 SER CA C 60 58.350 57.429 0.921 1
1 704 . 7 1 1 A 82 82 SER CB C 60 65.150 62.616 2.534 1
1 705 . 7 1 1 A 82 82 SER N N 60 115.930 118.243 -2.313 1
1 706 . 7 1 1 A 83 83 VAL H H 61 7.450 7.791 -0.341 1
1 707 . 7 1 1 A 83 83 VAL HA H 61 4.260 4.824 -0.564 1
1 715 . 7 1 1 A 83 83 VAL CA C 61 60.940 60.457 0.483 1
1 716 . 7 1 1 A 83 83 VAL CB C 61 35.360 34.965 0.395 1
1 719 . 7 1 1 A 83 83 VAL N N 61 121.550 125.781 -4.231 1
1 720 . 7 1 1 A 84 84 THR H H 62 7.850 8.942 -1.092 1
1 721 . 7 1 1 A 84 84 THR HA H 62 4.750 5.238 -0.488 1
1 726 . 7 1 1 A 84 84 THR C C 62 174.040 173.465 0.575 1
1 727 . 7 1 1 A 84 84 THR CA C 62 59.370 60.403 -1.033 1
1 728 . 7 1 1 A 84 84 THR CB C 62 68.800 71.347 -2.547 1
1 730 . 7 1 1 A 84 84 THR N N 62 111.040 119.382 -8.342 1
1 731 . 7 1 1 A 85 85 GLY H H 63 7.950 8.656 -0.706 1
1 732 . 7 1 1 A 85 85 GLY HA2 H 63 3.480 4.106 -0.626 1
1 733 . 7 1 1 A 85 85 GLY HA3 H 63 2.950 4.122 -1.172 1
1 734 . 7 1 1 A 85 85 GLY C C 63 174.140 174.634 -0.494 1
1 735 . 7 1 1 A 85 85 GLY CA C 63 45.490 45.494 -0.004 1
1 736 . 7 1 1 A 85 85 GLY N N 63 109.700 110.580 -0.880 1
1 737 . 7 1 1 A 86 86 GLY H H 64 8.530 8.389 0.141 1
1 738 . 7 1 1 A 86 86 GLY HA2 H 64 4.550 4.046 0.504 1
1 739 . 7 1 1 A 86 86 GLY HA3 H 64 3.700 4.070 -0.370 1
1 740 . 7 1 1 A 86 86 GLY C C 64 174.700 174.318 0.382 1
1 741 . 7 1 1 A 86 86 GLY CA C 64 45.600 45.280 0.320 1
1 742 . 7 1 1 A 86 86 GLY N N 64 107.420 108.951 -1.531 1
1 743 . 7 1 1 A 87 87 GLY H H 65 9.280 8.658 0.622 1
1 744 . 7 1 1 A 87 87 GLY HA2 H 65 4.860 4.063 0.797 1
1 745 . 7 1 1 A 87 87 GLY HA3 H 65 4.160 4.082 0.078 1
1 746 . 7 1 1 A 87 87 GLY C C 65 172.640 174.147 -1.507 1
1 747 . 7 1 1 A 87 87 GLY CA C 65 45.630 45.627 0.003 1
1 748 . 7 1 1 A 87 87 GLY N N 65 111.380 108.505 2.875 1
1 749 . 7 1 1 A 88 88 GLY H H 66 6.610 7.926 -1.316 1
1 750 . 7 1 1 A 88 88 GLY HA2 H 66 4.020 4.161 -0.141 1
1 751 . 7 1 1 A 88 88 GLY HA3 H 66 2.360 4.180 -1.820 1
1 752 . 7 1 1 A 88 88 GLY C C 66 172.250 172.656 -0.406 1
1 753 . 7 1 1 A 88 88 GLY CA C 66 43.910 44.308 -0.398 1
1 754 . 7 1 1 A 88 88 GLY N N 66 105.700 107.781 -2.081 1
1 755 . 7 1 1 A 89 89 GLU H H 67 9.230 8.985 0.245 1
1 756 . 7 1 1 A 89 89 GLU HA H 67 5.100 5.143 -0.043 1
1 761 . 7 1 1 A 89 89 GLU C C 67 175.770 174.174 1.596 1
1 762 . 7 1 1 A 89 89 GLU CA C 67 54.540 54.257 0.283 1
1 763 . 7 1 1 A 89 89 GLU CB C 67 34.710 34.041 0.669 1
1 765 . 7 1 1 A 89 89 GLU N N 67 117.210 118.029 -0.819 1
1 766 . 7 1 1 A 90 90 LEU H H 68 8.470 8.974 -0.504 1
1 767 . 7 1 1 A 90 90 LEU HA H 68 5.050 4.945 0.105 1
1 777 . 7 1 1 A 90 90 LEU C C 68 175.460 174.803 0.657 1
1 778 . 7 1 1 A 90 90 LEU CA C 68 54.160 54.083 0.077 1
1 779 . 7 1 1 A 90 90 LEU CB C 68 44.250 44.603 -0.353 1
1 783 . 7 1 1 A 90 90 LEU N N 68 120.420 123.612 -3.192 1
1 784 . 7 1 1 A 91 91 ALA H H 69 8.880 8.882 -0.002 1
1 785 . 7 1 1 A 91 91 ALA HA H 69 5.990 5.030 0.960 1
1 789 . 7 1 1 A 91 91 ALA C C 69 175.300 176.306 -1.006 1
1 790 . 7 1 1 A 91 91 ALA CA C 69 50.340 50.580 -0.240 1
1 791 . 7 1 1 A 91 91 ALA CB C 69 21.140 20.151 0.989 1
1 792 . 7 1 1 A 91 91 ALA N N 69 124.720 130.475 -5.755 1
1 793 . 7 1 1 A 92 92 PHE H H 70 10.090 9.653 0.437 1
1 794 . 7 1 1 A 92 92 PHE HA H 70 4.700 5.069 -0.369 1
1 802 . 7 1 1 A 92 92 PHE CA C 70 56.580 57.493 -0.913 1
1 803 . 7 1 1 A 92 92 PHE CB C 70 40.490 40.000 0.490 1
1 807 . 7 1 1 A 92 92 PHE N N 70 122.920 124.180 -1.260 1
1 808 . 7 1 1 A 93 93 ARG H H 71 9.030 9.045 -0.015 1
1 809 . 7 1 1 A 93 93 ARG HA H 71 4.460 4.498 -0.038 1
1 816 . 7 1 1 A 93 93 ARG C C 71 176.910 175.803 1.107 1
1 817 . 7 1 1 A 93 93 ARG CA C 71 55.080 55.807 -0.727 1
1 818 . 7 1 1 A 93 93 ARG CB C 71 31.950 31.823 0.127 1
1 821 . 7 1 1 A 93 93 ARG N N 71 125.390 124.430 0.960 1
1 822 . 7 1 1 A 94 94 VAL H H 72 8.470 8.201 0.269 1
1 823 . 7 1 1 A 94 94 VAL HA H 72 4.820 4.677 0.143 1
1 831 . 7 1 1 A 94 94 VAL C C 72 176.320 176.038 0.282 1
1 832 . 7 1 1 A 94 94 VAL CA C 72 59.190 58.828 0.362 1
1 833 . 7 1 1 A 94 94 VAL CB C 72 32.550 34.793 -2.243 1
1 836 . 7 1 1 A 94 94 VAL N N 72 119.430 119.873 -0.443 1
1 837 . 7 1 1 A 95 95 GLU H H 73 8.160 8.882 -0.722 1
1 838 . 7 1 1 A 95 95 GLU HA H 73 3.940 4.172 -0.232 1
1 843 . 7 1 1 A 95 95 GLU C C 73 176.560 176.563 -0.003 1
1 844 . 7 1 1 A 95 95 GLU CA C 73 59.620 58.824 0.796 1
1 845 . 7 1 1 A 95 95 GLU CB C 73 31.400 29.566 1.834 1
1 847 . 7 1 1 A 95 95 GLU N N 73 116.510 120.488 -3.978 1
1 848 . 7 1 1 A 96 96 ASN H H 74 7.240 7.829 -0.589 1
1 849 . 7 1 1 A 96 96 ASN HA H 74 4.780 5.078 -0.298 1
1 854 . 7 1 1 A 96 96 ASN C C 74 174.960 174.668 0.292 1
1 855 . 7 1 1 A 96 96 ASN CA C 74 51.570 52.753 -1.183 1
1 856 . 7 1 1 A 96 96 ASN CB C 74 40.130 39.240 0.890 1
1 857 . 7 1 1 A 96 96 ASN N N 74 108.930 114.272 -5.342 1
1 859 . 7 1 1 A 97 97 ASP H H 75 8.330 9.068 -0.738 1
1 860 . 7 1 1 A 97 97 ASP HA H 75 4.190 4.499 -0.309 1
1 863 . 7 1 1 A 97 97 ASP C C 75 177.800 178.460 -0.660 1
1 864 . 7 1 1 A 97 97 ASP CA C 75 57.780 56.756 1.024 1
1 865 . 7 1 1 A 97 97 ASP CB C 75 39.230 39.704 -0.474 1
1 866 . 7 1 1 A 97 97 ASP N N 75 120.390 118.360 2.030 1
1 867 . 7 1 1 A 98 98 ALA H H 76 8.090 8.137 -0.047 1
1 868 . 7 1 1 A 98 98 ALA HA H 76 4.210 4.001 0.209 1
1 872 . 7 1 1 A 98 98 ALA C C 76 181.130 180.331 0.799 1
1 873 . 7 1 1 A 98 98 ALA CA C 76 55.160 55.558 -0.398 1
1 874 . 7 1 1 A 98 98 ALA CB C 76 17.440 18.052 -0.612 1
1 875 . 7 1 1 A 98 98 ALA N N 76 122.660 121.911 0.749 1
1 876 . 7 1 1 A 99 99 GLN H H 77 8.110 8.024 0.086 1
1 877 . 7 1 1 A 99 99 GLN HA H 77 4.170 4.055 0.115 1
1 884 . 7 1 1 A 99 99 GLN C C 77 180.190 178.617 1.573 1
1 885 . 7 1 1 A 99 99 GLN CA C 77 58.680 58.519 0.161 1
1 886 . 7 1 1 A 99 99 GLN CB C 77 28.590 28.513 0.077 1
1 888 . 7 1 1 A 99 99 GLN N N 77 116.870 117.167 -0.297 1
1 890 . 7 1 1 A 100 100 VAL H H 78 7.860 7.691 0.169 1
1 891 . 7 1 1 A 100 100 VAL HA H 78 3.400 3.584 -0.184 1
1 899 . 7 1 1 A 100 100 VAL C C 78 177.510 177.979 -0.469 1
1 900 . 7 1 1 A 100 100 VAL CA C 78 67.800 66.366 1.434 1
1 901 . 7 1 1 A 100 100 VAL CB C 78 30.810 31.973 -1.163 1
1 904 . 7 1 1 A 100 100 VAL N N 78 125.200 120.977 4.223 1
1 905 . 7 1 1 A 101 101 ASP H H 79 7.810 7.913 -0.103 1
1 906 . 7 1 1 A 101 101 ASP HA H 79 4.420 4.145 0.275 1
1 909 . 7 1 1 A 101 101 ASP C C 79 175.010 178.559 -3.549 1
1 910 . 7 1 1 A 101 101 ASP CA C 79 58.490 57.043 1.447 1
1 911 . 7 1 1 A 101 101 ASP CB C 79 40.400 40.617 -0.217 1
1 912 . 7 1 1 A 101 101 ASP N N 79 119.560 120.179 -0.619 1
1 913 . 7 1 1 A 102 102 GLU H H 80 8.620 8.123 0.497 1
1 914 . 7 1 1 A 102 102 GLU HA H 80 4.080 3.991 0.089 1
1 919 . 7 1 1 A 102 102 GLU C C 80 179.540 179.356 0.184 1
1 920 . 7 1 1 A 102 102 GLU CA C 80 59.470 59.211 0.259 1
1 921 . 7 1 1 A 102 102 GLU CB C 80 30.210 29.237 0.973 1
1 923 . 7 1 1 A 102 102 GLU N N 80 121.400 118.987 2.413 1
1 924 . 7 1 1 A 103 103 THR H H 81 8.120 7.523 0.597 1
1 925 . 7 1 1 A 103 103 THR HA H 81 3.660 3.640 0.020 1
1 930 . 7 1 1 A 103 103 THR C C 81 174.440 175.956 -1.516 1
1 931 . 7 1 1 A 103 103 THR CA C 81 66.990 65.858 1.132 1
1 932 . 7 1 1 A 103 103 THR CB C 81 68.070 67.905 0.165 1
1 934 . 7 1 1 A 103 103 THR N N 81 118.770 118.929 -0.159 1
1 935 . 7 1 1 A 104 104 PHE H H 82 8.340 7.809 0.531 1
1 936 . 7 1 1 A 104 104 PHE HA H 82 3.030 3.626 -0.596 1
1 943 . 7 1 1 A 104 104 PHE C C 82 176.050 176.714 -0.664 1
1 944 . 7 1 1 A 104 104 PHE CA C 82 61.480 61.988 -0.508 1
1 945 . 7 1 1 A 104 104 PHE CB C 82 38.550 38.592 -0.042 1
1 948 . 7 1 1 A 104 104 PHE N N 82 122.350 121.393 0.957 1
1 949 . 7 1 1 A 105 105 ALA H H 83 7.780 8.269 -0.489 1
1 950 . 7 1 1 A 105 105 ALA HA H 83 3.680 4.127 -0.447 1
1 954 . 7 1 1 A 105 105 ALA C C 83 181.410 179.918 1.492 1
1 955 . 7 1 1 A 105 105 ALA CA C 83 54.880 55.045 -0.165 1
1 956 . 7 1 1 A 105 105 ALA CB C 83 18.080 18.334 -0.254 1
1 957 . 7 1 1 A 105 105 ALA N N 83 118.740 121.139 -2.399 1
1 958 . 7 1 1 A 106 106 GLY H H 84 8.120 8.049 0.071 1
1 959 . 7 1 1 A 106 106 GLY HA2 H 84 3.910 3.483 0.427 1
1 960 . 7 1 1 A 106 106 GLY HA3 H 84 3.810 3.522 0.288 1
1 961 . 7 1 1 A 106 106 GLY C C 84 176.780 177.181 -0.401 1
1 962 . 7 1 1 A 106 106 GLY CA C 84 46.910 46.992 -0.082 1
1 963 . 7 1 1 A 106 106 GLY N N 84 107.090 104.981 2.109 1
1 964 . 7 1 1 A 107 107 TRP H H 85 9.240 7.666 1.574 1
1 965 . 7 1 1 A 107 107 TRP HA H 85 4.440 4.637 -0.197 1
1 972 . 7 1 1 A 107 107 TRP C C 85 179.210 178.597 0.613 1
1 973 . 7 1 1 A 107 107 TRP CA C 85 59.190 60.629 -1.439 1
1 974 . 7 1 1 A 107 107 TRP CB C 85 28.450 29.152 -0.702 1
1 978 . 7 1 1 A 107 107 TRP N N 85 124.820 121.936 2.884 1
1 980 . 7 1 1 A 108 108 LYS H H 86 8.610 8.353 0.257 1
1 981 . 7 1 1 A 108 108 LYS HA H 86 3.920 3.870 0.050 1
1 990 . 7 1 1 A 108 108 LYS C C 86 180.980 178.522 2.458 1
1 991 . 7 1 1 A 108 108 LYS CA C 86 60.040 59.395 0.645 1
1 992 . 7 1 1 A 108 108 LYS CB C 86 31.850 32.320 -0.470 1
1 996 . 7 1 1 A 108 108 LYS N N 86 121.490 121.264 0.226 1
1 997 . 7 1 1 A 109 109 ALA H H 87 7.890 7.932 -0.042 1
1 998 . 7 1 1 A 109 109 ALA HA H 87 4.150 4.174 -0.024 1
1 1002 . 7 1 1 A 109 109 ALA C C 87 179.050 178.557 0.493 1
1 1003 . 7 1 1 A 109 109 ALA CA C 87 54.670 54.730 -0.060 1
1 1004 . 7 1 1 A 109 109 ALA CB C 87 18.010 18.213 -0.203 1
1 1005 . 7 1 1 A 109 109 ALA N N 87 121.920 121.494 0.426 1
1 1006 . 7 1 1 A 110 110 SER H H 88 7.510 7.497 0.013 1
1 1007 . 7 1 1 A 110 110 SER HA H 88 4.450 4.641 -0.191 1
1 1010 . 7 1 1 A 110 110 SER C C 88 174.140 174.636 -0.496 1
1 1011 . 7 1 1 A 110 110 SER CA C 88 58.750 58.279 0.471 1
1 1012 . 7 1 1 A 110 110 SER CB C 88 63.950 63.417 0.533 1
1 1013 . 7 1 1 A 110 110 SER N N 88 112.390 111.433 0.957 1
1 1014 . 7 1 1 A 111 111 GLY H H 89 7.790 8.034 -0.244 1
1 1015 . 7 1 1 A 111 111 GLY HA2 H 89 4.180 4.000 0.180 1
1 1016 . 7 1 1 A 111 111 GLY HA3 H 89 3.700 4.028 -0.328 1
1 1017 . 7 1 1 A 111 111 GLY C C 89 174.520 174.687 -0.167 1
1 1018 . 7 1 1 A 111 111 GLY CA C 89 45.530 46.944 -1.414 1
1 1019 . 7 1 1 A 111 111 GLY N N 89 108.220 110.188 -1.968 1
1 1020 . 7 1 1 A 112 112 VAL H H 90 7.660 7.584 0.076 1
1 1021 . 7 1 1 A 112 112 VAL HA H 90 3.830 4.340 -0.510 1
1 1029 . 7 1 1 A 112 112 VAL C C 90 175.430 176.867 -1.437 1
1 1030 . 7 1 1 A 112 112 VAL CA C 90 63.880 60.279 3.601 1
1 1031 . 7 1 1 A 112 112 VAL CB C 90 32.040 33.504 -1.464 1
1 1034 . 7 1 1 A 112 112 VAL N N 90 122.880 119.546 3.334 1
1 1035 . 7 1 1 A 113 113 ALA H H 91 8.720 8.494 0.226 1
1 1036 . 7 1 1 A 113 113 ALA HA H 91 4.210 4.055 0.155 1
1 1040 . 7 1 1 A 113 113 ALA C C 91 176.290 177.697 -1.407 1
1 1041 . 7 1 1 A 113 113 ALA CA C 91 52.900 55.302 -2.402 1
1 1042 . 7 1 1 A 113 113 ALA CB C 91 19.290 18.757 0.533 1
1 1043 . 7 1 1 A 113 113 ALA N N 91 132.080 129.762 2.318 1
1 1044 . 7 1 1 A 114 114 MET H H 92 8.260 7.660 0.600 1
1 1045 . 7 1 1 A 114 114 MET HA H 92 5.330 4.149 1.181 1
1 1051 . 7 1 1 A 114 114 MET C C 92 176.780 176.228 0.552 1
1 1052 . 7 1 1 A 114 114 MET CA C 92 53.390 56.218 -2.828 1
1 1053 . 7 1 1 A 114 114 MET CB C 92 33.450 31.124 2.326 1
1 1055 . 7 1 1 A 114 114 MET N N 92 116.930 116.809 0.121 1
1 1056 . 7 1 1 A 115 115 LEU H H 93 8.990 8.180 0.810 1
1 1057 . 7 1 1 A 115 115 LEU HA H 93 4.550 4.995 -0.445 1
1 1067 . 7 1 1 A 115 115 LEU C C 93 176.630 175.644 0.986 1
1 1068 . 7 1 1 A 115 115 LEU CA C 93 55.140 53.865 1.275 1
1 1069 . 7 1 1 A 115 115 LEU CB C 93 44.810 42.716 2.094 1
1 1073 . 7 1 1 A 115 115 LEU N N 93 122.250 116.937 5.313 1
1 1074 . 7 1 1 A 116 116 GLN H H 94 8.280 8.213 0.067 1
1 1075 . 7 1 1 A 116 116 GLN HA H 94 4.700 4.682 0.018 1
1 1080 . 7 1 1 A 116 116 GLN C C 94 174.860 173.979 0.881 1
1 1081 . 7 1 1 A 116 116 GLN CA C 94 55.600 55.842 -0.242 1
1 1082 . 7 1 1 A 116 116 GLN CB C 94 33.510 32.937 0.573 1
1 1083 . 7 1 1 A 116 116 GLN N N 94 121.140 123.193 -2.053 1
1 1085 . 7 1 1 A 117 117 GLN H H 95 8.490 8.609 -0.119 1
1 1086 . 7 1 1 A 117 117 GLN HA H 95 4.080 4.888 -0.808 1
1 1093 . 7 1 1 A 117 117 GLN CA C 95 54.860 53.178 1.682 1
1 1094 . 7 1 1 A 117 117 GLN CB C 95 26.550 28.936 -2.386 1
1 1096 . 7 1 1 A 117 117 GLN N N 95 125.610 124.867 0.743 1
1 1098 . 7 1 1 A 118 118 PRO HA H 96 4.410 4.702 -0.292 1
1 1103 . 7 1 1 A 118 118 PRO C C 96 176.290 175.673 0.617 1
1 1104 . 7 1 1 A 118 118 PRO CA C 96 64.130 63.052 1.078 1
1 1105 . 7 1 1 A 118 118 PRO CB C 96 30.550 31.456 -0.906 1
1 1107 . 7 1 1 A 119 119 ALA H H 97 8.980 8.203 0.777 1
1 1108 . 7 1 1 A 119 119 ALA HA H 97 4.550 4.947 -0.397 1
1 1112 . 7 1 1 A 119 119 ALA C C 97 175.820 176.001 -0.181 1
1 1113 . 7 1 1 A 119 119 ALA CA C 97 51.100 50.499 0.601 1
1 1114 . 7 1 1 A 119 119 ALA CB C 97 22.150 23.395 -1.245 1
1 1115 . 7 1 1 A 119 119 ALA N N 97 126.580 125.612 0.968 1
1 1116 . 7 1 1 A 120 120 LYS H H 98 8.710 8.583 0.127 1
1 1117 . 7 1 1 A 120 120 LYS HA H 98 4.450 4.600 -0.150 1
1 1126 . 7 1 1 A 120 120 LYS C C 98 175.950 176.098 -0.148 1
1 1127 . 7 1 1 A 120 120 LYS CA C 98 56.360 56.314 0.046 1
1 1128 . 7 1 1 A 120 120 LYS CB C 98 32.090 32.662 -0.572 1
1 1132 . 7 1 1 A 120 120 LYS N N 98 121.330 121.151 0.179 1
1 1133 . 7 1 1 A 121 121 MET H H 99 8.130 8.765 -0.635 1
1 1138 . 7 1 1 A 121 121 MET N N 99 125.590 125.105 0.485 1
1 1139 . 7 1 1 A 122 122 GLU HA H 100 3.890 3.793 0.097 1
1 1144 . 7 1 1 A 122 122 GLU C C 100 176.450 177.676 -1.226 1
1 1145 . 7 1 1 A 122 122 GLU CA C 100 59.740 59.426 0.314 1
1 1146 . 7 1 1 A 122 122 GLU CB C 100 29.200 28.885 0.315 1
1 1148 . 7 1 1 A 123 123 PHE H H 101 6.120 7.679 -1.559 1
1 1149 . 7 1 1 A 123 123 PHE HA H 101 4.430 4.485 -0.055 1
1 1152 . 7 1 1 A 123 123 PHE C C 101 173.950 175.394 -1.444 1
1 1153 . 7 1 1 A 123 123 PHE CA C 101 54.750 57.990 -3.240 1
1 1154 . 7 1 1 A 123 123 PHE CB C 101 38.630 39.787 -1.157 1
1 1155 . 7 1 1 A 123 123 PHE N N 101 108.900 115.801 -6.901 1
1 1156 . 7 1 1 A 124 124 GLY H H 102 6.670 7.204 -0.534 1
1 1157 . 7 1 1 A 124 124 GLY HA2 H 102 4.780 4.158 0.622 1
1 1158 . 7 1 1 A 124 124 GLY HA3 H 102 3.770 4.270 -0.500 1
1 1159 . 7 1 1 A 124 124 GLY C C 102 170.410 171.975 -1.565 1
1 1160 . 7 1 1 A 124 124 GLY CA C 102 44.570 44.581 -0.011 1
1 1161 . 7 1 1 A 124 124 GLY N N 102 108.900 106.372 2.528 1
1 1162 . 7 1 1 A 125 125 TYR H H 103 8.210 8.550 -0.340 1
1 1163 . 7 1 1 A 125 125 TYR HA H 103 5.080 4.849 0.231 1
1 1170 . 7 1 1 A 125 125 TYR C C 103 175.980 174.333 1.647 1
1 1171 . 7 1 1 A 125 125 TYR CA C 103 56.530 56.852 -0.322 1
1 1172 . 7 1 1 A 125 125 TYR CB C 103 40.180 38.866 1.314 1
1 1175 . 7 1 1 A 125 125 TYR N N 103 123.360 121.904 1.456 1
1 1176 . 7 1 1 A 126 126 THR H H 104 8.450 8.903 -0.453 1
1 1177 . 7 1 1 A 126 126 THR HA H 104 5.630 5.277 0.353 1
1 1182 . 7 1 1 A 126 126 THR C C 104 170.010 172.604 -2.594 1
1 1183 . 7 1 1 A 126 126 THR CA C 104 58.490 60.282 -1.792 1
1 1184 . 7 1 1 A 126 126 THR CB C 104 72.110 71.708 0.402 1
1 1186 . 7 1 1 A 126 126 THR N N 104 120.720 122.408 -1.688 1
1 1187 . 7 1 1 A 127 127 PHE H H 105 8.170 8.965 -0.795 1
1 1188 . 7 1 1 A 127 127 PHE HA H 105 4.620 5.397 -0.777 1
1 1195 . 7 1 1 A 127 127 PHE C C 105 172.490 173.237 -0.747 1
1 1196 . 7 1 1 A 127 127 PHE CA C 105 56.610 56.890 -0.280 1
1 1197 . 7 1 1 A 127 127 PHE CB C 105 41.710 43.233 -1.523 1
1 1200 . 7 1 1 A 127 127 PHE N N 105 120.530 128.236 -7.706 1
1 1201 . 7 1 1 A 128 128 THR H H 106 8.450 8.609 -0.159 1
1 1202 . 7 1 1 A 128 128 THR HA H 106 5.090 4.863 0.227 1
1 1207 . 7 1 1 A 128 128 THR C C 106 172.750 173.394 -0.644 1
1 1208 . 7 1 1 A 128 128 THR CA C 106 63.340 60.691 2.649 1
1 1209 . 7 1 1 A 128 128 THR CB C 106 70.420 72.454 -2.034 1
1 1211 . 7 1 1 A 128 128 THR N N 106 114.010 119.513 -5.503 1
1 1212 . 7 1 1 A 129 129 ALA H H 107 10.030 8.968 1.062 1
1 1213 . 7 1 1 A 129 129 ALA HA H 107 5.540 5.309 0.231 1
1 1217 . 7 1 1 A 129 129 ALA C C 107 179.620 175.567 4.053 1
1 1218 . 7 1 1 A 129 129 ALA CA C 107 50.640 50.174 0.466 1
1 1219 . 7 1 1 A 129 129 ALA CB C 107 24.570 22.516 2.054 1
1 1220 . 7 1 1 A 129 129 ALA N N 107 135.110 128.486 6.624 1
1 1221 . 7 1 1 A 130 130 ALA H H 108 8.650 8.758 -0.108 1
1 1222 . 7 1 1 A 130 130 ALA HA H 108 5.380 5.427 -0.047 1
1 1226 . 7 1 1 A 130 130 ALA C C 108 175.480 176.448 -0.968 1
1 1227 . 7 1 1 A 130 130 ALA CA C 108 50.100 50.587 -0.487 1
1 1228 . 7 1 1 A 130 130 ALA CB C 108 22.770 21.532 1.238 1
1 1229 . 7 1 1 A 130 130 ALA N N 108 121.150 121.302 -0.152 1
1 1230 . 7 1 1 A 131 131 ASP H H 109 8.770 8.637 0.133 1
1 1231 . 7 1 1 A 131 131 ASP HA H 109 3.910 4.692 -0.782 1
1 1234 . 7 1 1 A 131 131 ASP CA C 109 51.290 52.246 -0.956 1
1 1235 . 7 1 1 A 131 131 ASP CB C 109 41.350 40.739 0.611 1
1 1236 . 7 1 1 A 131 131 ASP N N 109 123.100 124.847 -1.747 1
1 1237 . 7 1 1 A 132 132 PRO HA H 110 4.140 4.195 -0.055 1
1 1242 . 7 1 1 A 132 132 PRO C C 110 176.890 177.293 -0.403 1
1 1243 . 7 1 1 A 132 132 PRO CA C 110 65.730 65.332 0.398 1
1 1244 . 7 1 1 A 132 132 PRO CB C 110 31.850 31.361 0.489 1
1 1246 . 7 1 1 A 133 133 ASP H H 111 8.740 7.079 1.661 1
1 1247 . 7 1 1 A 133 133 ASP HA H 111 4.800 4.604 0.196 1
1 1250 . 7 1 1 A 133 133 ASP C C 111 173.720 174.688 -0.968 1
1 1251 . 7 1 1 A 133 133 ASP CA C 111 54.140 53.257 0.883 1
1 1252 . 7 1 1 A 133 133 ASP CB C 111 42.910 40.664 2.246 1
1 1253 . 7 1 1 A 133 133 ASP N N 111 118.220 115.691 2.529 1
1 1254 . 7 1 1 A 134 134 SER H H 112 8.370 7.780 0.590 1
1 1255 . 7 1 1 A 134 134 SER HA H 112 3.710 4.004 -0.294 1
1 1258 . 7 1 1 A 134 134 SER CA C 112 60.670 58.802 1.868 1
1 1259 . 7 1 1 A 134 134 SER CB C 112 61.430 61.148 0.282 1
1 1260 . 7 1 1 A 134 134 SER N N 112 109.220 111.648 -2.428 1
1 1261 . 7 1 1 A 135 135 HIS H H 113 8.850 7.517 1.333 1
1 1268 . 7 1 1 A 135 135 HIS N N 113 122.820 117.929 4.891 1
1 1269 . 7 1 1 A 136 136 ARG HA H 114 4.680 4.698 -0.018 1
1 1270 . 7 1 1 A 136 136 ARG C C 114 175.220 175.207 0.013 1
1 1271 . 7 1 1 A 136 136 ARG CA C 114 57.560 55.320 2.240 1
1 1272 . 7 1 1 A 137 137 LEU H H 115 8.680 8.925 -0.245 1
1 1273 . 7 1 1 A 137 137 LEU HA H 115 5.490 5.118 0.372 1
1 1282 . 7 1 1 A 137 137 LEU C C 115 174.620 176.157 -1.537 1
1 1283 . 7 1 1 A 137 137 LEU CA C 115 52.580 54.168 -1.588 1
1 1284 . 7 1 1 A 137 137 LEU CB C 115 43.070 41.834 1.236 1
1 1287 . 7 1 1 A 137 137 LEU N N 115 123.990 127.027 -3.037 1
1 1288 . 7 1 1 A 138 138 ARG H H 116 9.510 9.049 0.461 1
1 1289 . 7 1 1 A 138 138 ARG HA H 116 5.120 5.101 0.019 1
1 1292 . 7 1 1 A 138 138 ARG C C 116 175.090 175.828 -0.738 1
1 1293 . 7 1 1 A 138 138 ARG CA C 116 54.700 55.887 -1.187 1
1 1294 . 7 1 1 A 138 138 ARG CB C 116 33.480 31.943 1.537 1
1 1295 . 7 1 1 A 138 138 ARG N N 116 125.370 124.644 0.726 1
1 1296 . 7 1 1 A 139 139 VAL H H 117 7.970 8.730 -0.760 1
1 1297 . 7 1 1 A 139 139 VAL HA H 117 5.280 5.628 -0.348 1
1 1305 . 7 1 1 A 139 139 VAL C C 117 176.390 174.841 1.549 1
1 1306 . 7 1 1 A 139 139 VAL CA C 117 60.090 61.147 -1.057 1
1 1307 . 7 1 1 A 139 139 VAL CB C 117 32.690 34.941 -2.251 1
1 1310 . 7 1 1 A 139 139 VAL N N 117 128.260 122.120 6.140 1
1 1311 . 7 1 1 A 140 140 TYR H H 118 9.200 8.717 0.483 1
1 1312 . 7 1 1 A 140 140 TYR HA H 118 5.800 5.972 -0.172 1
1 1319 . 7 1 1 A 140 140 TYR C C 118 170.820 172.850 -2.030 1
1 1320 . 7 1 1 A 140 140 TYR CA C 118 56.060 55.431 0.629 1
1 1321 . 7 1 1 A 140 140 TYR CB C 118 42.460 41.957 0.503 1
1 1324 . 7 1 1 A 140 140 TYR N N 118 127.020 123.777 3.243 1
1 1325 . 7 1 1 A 141 141 ALA H H 119 8.330 9.246 -0.916 1
1 1326 . 7 1 1 A 141 141 ALA HA H 119 4.560 5.075 -0.515 1
1 1330 . 7 1 1 A 141 141 ALA C C 119 177.150 176.294 0.856 1
1 1331 . 7 1 1 A 141 141 ALA CA C 119 50.530 50.527 0.003 1
1 1332 . 7 1 1 A 141 141 ALA CB C 119 21.220 21.087 0.133 1
1 1333 . 7 1 1 A 141 141 ALA N N 119 121.160 123.044 -1.884 1
1 1334 . 7 1 1 A 142 142 PHE H H 120 8.780 9.146 -0.366 1
1 1335 . 7 1 1 A 142 142 PHE HA H 120 4.910 5.142 -0.232 1
1 1340 . 7 1 1 A 142 142 PHE C C 120 175.090 174.090 1.000 1
1 1341 . 7 1 1 A 142 142 PHE CA C 120 57.720 58.640 -0.920 1
1 1342 . 7 1 1 A 142 142 PHE CB C 120 40.810 39.557 1.253 1
1 1344 . 7 1 1 A 142 142 PHE N N 120 122.630 126.614 -3.984 1
1 1345 . 7 1 1 A 143 143 ALA H H 121 8.190 8.349 -0.159 1
1 1346 . 7 1 1 A 143 143 ALA HA H 121 4.330 4.554 -0.224 1
1 1350 . 7 1 1 A 143 143 ALA C C 121 176.260 177.069 -0.809 1
1 1351 . 7 1 1 A 143 143 ALA CA C 121 52.280 50.691 1.589 1
1 1352 . 7 1 1 A 143 143 ALA CB C 121 19.310 18.873 0.437 1
1 1353 . 7 1 1 A 143 143 ALA N N 121 129.460 130.112 -0.652 1
1 16 . 8 1 1 A 24 24 THR H H 2 8.350 7.507 0.843 1
1 17 . 8 1 1 A 24 24 THR HA H 2 4.470 4.926 -0.456 1
1 22 . 8 1 1 A 24 24 THR CA C 2 61.890 61.307 0.583 1
1 23 . 8 1 1 A 24 24 THR CB C 2 69.630 72.916 -3.286 1
1 25 . 8 1 1 A 24 24 THR N N 2 117.720 113.929 3.791 1
1 26 . 8 1 1 A 25 25 HIS H H 3 8.630 8.823 -0.193 1
1 27 . 8 1 1 A 25 25 HIS HA H 3 5.200 4.985 0.215 1
1 30 . 8 1 1 A 25 25 HIS CA C 3 51.620 53.707 -2.087 1
1 31 . 8 1 1 A 25 25 HIS CB C 3 33.320 32.710 0.610 1
1 32 . 8 1 1 A 25 25 HIS N N 3 124.890 123.473 1.417 1
1 33 . 8 1 1 A 26 26 PRO HA H 4 4.170 4.895 -0.725 1
1 40 . 8 1 1 A 26 26 PRO C C 4 175.740 176.073 -0.333 1
1 41 . 8 1 1 A 26 26 PRO CA C 4 62.740 62.438 0.302 1
1 42 . 8 1 1 A 26 26 PRO CB C 4 31.460 32.748 -1.288 1
1 45 . 8 1 1 A 27 27 ASP H H 5 8.270 8.799 -0.529 1
1 46 . 8 1 1 A 27 27 ASP HA H 5 4.810 4.950 -0.140 1
1 49 . 8 1 1 A 27 27 ASP C C 5 175.400 175.168 0.232 1
1 50 . 8 1 1 A 27 27 ASP CA C 5 53.310 53.306 0.004 1
1 51 . 8 1 1 A 27 27 ASP CB C 5 42.390 42.453 -0.063 1
1 52 . 8 1 1 A 27 27 ASP N N 5 119.440 121.289 -1.849 1
1 53 . 8 1 1 A 28 28 PHE H H 6 7.280 7.654 -0.374 1
1 54 . 8 1 1 A 28 28 PHE HA H 6 5.440 4.816 0.624 1
1 61 . 8 1 1 A 28 28 PHE C C 6 174.180 173.403 0.777 1
1 62 . 8 1 1 A 28 28 PHE CA C 6 54.590 57.490 -2.900 1
1 63 . 8 1 1 A 28 28 PHE CB C 6 42.310 42.747 -0.437 1
1 66 . 8 1 1 A 28 28 PHE N N 6 118.410 119.543 -1.133 1
1 67 . 8 1 1 A 29 29 THR H H 7 8.500 8.522 -0.022 1
1 68 . 8 1 1 A 29 29 THR HA H 7 4.800 4.785 0.015 1
1 73 . 8 1 1 A 29 29 THR C C 7 172.280 172.462 -0.182 1
1 74 . 8 1 1 A 29 29 THR CA C 7 62.550 60.247 2.303 1
1 75 . 8 1 1 A 29 29 THR CB C 7 70.420 71.692 -1.272 1
1 77 . 8 1 1 A 29 29 THR N N 7 123.070 119.690 3.380 1
1 78 . 8 1 1 A 30 30 ILE H H 8 9.270 8.693 0.577 1
1 79 . 8 1 1 A 30 30 ILE HA H 8 4.680 4.602 0.078 1
1 89 . 8 1 1 A 30 30 ILE C C 8 173.970 174.285 -0.315 1
1 90 . 8 1 1 A 30 30 ILE CA C 8 59.220 59.733 -0.513 1
1 91 . 8 1 1 A 30 30 ILE CB C 8 40.210 41.474 -1.264 1
1 95 . 8 1 1 A 30 30 ILE N N 8 126.920 127.271 -0.351 1
1 96 . 8 1 1 A 31 31 LEU H H 9 8.760 8.641 0.119 1
1 97 . 8 1 1 A 31 31 LEU HA H 9 4.330 4.712 -0.382 1
1 107 . 8 1 1 A 31 31 LEU C C 9 176.520 175.614 0.906 1
1 108 . 8 1 1 A 31 31 LEU CA C 9 52.960 53.340 -0.380 1
1 109 . 8 1 1 A 31 31 LEU CB C 9 41.820 42.874 -1.054 1
1 113 . 8 1 1 A 31 31 LEU N N 9 126.000 126.778 -0.778 1
1 114 . 8 1 1 A 32 32 TYR H H 10 8.190 8.786 -0.596 1
1 115 . 8 1 1 A 32 32 TYR HA H 10 5.980 5.303 0.677 1
1 118 . 8 1 1 A 32 32 TYR C C 10 177.720 176.098 1.622 1
1 119 . 8 1 1 A 32 32 TYR CA C 10 53.120 57.632 -4.512 1
1 120 . 8 1 1 A 32 32 TYR CB C 10 36.560 38.782 -2.222 1
1 121 . 8 1 1 A 32 32 TYR N N 10 122.130 123.964 -1.834 1
1 122 . 8 1 1 A 33 33 VAL H H 11 8.470 8.818 -0.348 1
1 123 . 8 1 1 A 33 33 VAL HA H 11 4.990 5.122 -0.132 1
1 131 . 8 1 1 A 33 33 VAL C C 11 176.030 175.666 0.364 1
1 132 . 8 1 1 A 33 33 VAL CA C 11 58.240 59.172 -0.932 1
1 133 . 8 1 1 A 33 33 VAL CB C 11 35.090 34.770 0.320 1
1 136 . 8 1 1 A 33 33 VAL N N 11 113.820 119.482 -5.662 1
1 137 . 8 1 1 A 34 34 ASP H H 12 9.750 8.932 0.818 1
1 138 . 8 1 1 A 34 34 ASP HA H 12 4.550 4.744 -0.194 1
1 141 . 8 1 1 A 34 34 ASP C C 12 177.230 175.423 1.807 1
1 142 . 8 1 1 A 34 34 ASP CA C 12 58.000 55.696 2.304 1
1 143 . 8 1 1 A 34 34 ASP CB C 12 42.780 41.737 1.043 1
1 144 . 8 1 1 A 34 34 ASP N N 12 124.140 121.589 2.551 1
1 145 . 8 1 1 A 35 35 ASN H H 13 9.250 8.004 1.246 1
1 146 . 8 1 1 A 35 35 ASN HA H 13 5.120 4.916 0.204 1
1 151 . 8 1 1 A 35 35 ASN CA C 13 50.610 50.002 0.608 1
1 152 . 8 1 1 A 35 35 ASN CB C 13 39.920 39.453 0.467 1
1 153 . 8 1 1 A 35 35 ASN N N 13 114.460 117.199 -2.739 1
1 155 . 8 1 1 A 37 37 PRO HA H 15 4.350 4.245 0.105 1
1 162 . 8 1 1 A 37 37 PRO C C 15 179.310 179.234 0.076 1
1 163 . 8 1 1 A 37 37 PRO CA C 15 67.480 66.502 0.978 1
1 164 . 8 1 1 A 37 37 PRO CB C 15 31.340 30.794 0.546 1
1 167 . 8 1 1 A 38 38 ALA H H 16 7.740 8.164 -0.424 1
1 168 . 8 1 1 A 38 38 ALA HA H 16 4.310 4.149 0.161 1
1 172 . 8 1 1 A 38 38 ALA C C 16 182.490 179.935 2.555 1
1 173 . 8 1 1 A 38 38 ALA CA C 16 55.160 55.068 0.092 1
1 174 . 8 1 1 A 38 38 ALA CB C 16 18.360 18.250 0.110 1
1 175 . 8 1 1 A 38 38 ALA N N 16 121.510 119.492 2.018 1
1 176 . 8 1 1 A 39 39 SER H H 17 8.770 8.111 0.659 1
1 177 . 8 1 1 A 39 39 SER HA H 17 4.190 4.356 -0.166 1
1 180 . 8 1 1 A 39 39 SER C C 17 175.610 177.658 -2.048 1
1 181 . 8 1 1 A 39 39 SER CA C 17 64.260 61.621 2.639 1
1 182 . 8 1 1 A 39 39 SER CB C 17 62.790 62.614 0.176 1
1 183 . 8 1 1 A 39 39 SER N N 17 117.520 113.103 4.417 1
1 184 . 8 1 1 A 40 40 THR H H 18 9.310 7.919 1.391 1
1 185 . 8 1 1 A 40 40 THR HA H 18 4.480 4.254 0.226 1
1 190 . 8 1 1 A 40 40 THR C C 18 175.590 177.009 -1.419 1
1 191 . 8 1 1 A 40 40 THR CA C 18 68.130 67.368 0.762 1
1 192 . 8 1 1 A 40 40 THR CB C 18 68.480 68.474 0.006 1
1 194 . 8 1 1 A 40 40 THR N N 18 120.600 117.059 3.541 1
1 195 . 8 1 1 A 41 41 GLN H H 19 7.610 7.856 -0.246 1
1 196 . 8 1 1 A 41 41 GLN HA H 19 4.080 4.164 -0.084 1
1 203 . 8 1 1 A 41 41 GLN C C 19 178.110 178.266 -0.156 1
1 204 . 8 1 1 A 41 41 GLN CA C 19 59.170 59.102 0.068 1
1 205 . 8 1 1 A 41 41 GLN CB C 19 28.170 28.284 -0.114 1
1 207 . 8 1 1 A 41 41 GLN N N 19 120.130 120.420 -0.290 1
1 209 . 8 1 1 A 42 42 PHE H H 20 7.710 7.998 -0.288 1
1 210 . 8 1 1 A 42 42 PHE HA H 20 4.080 4.201 -0.121 1
1 218 . 8 1 1 A 42 42 PHE C C 20 177.460 177.102 0.358 1
1 219 . 8 1 1 A 42 42 PHE CA C 20 61.760 61.396 0.364 1
1 220 . 8 1 1 A 42 42 PHE CB C 20 38.590 38.900 -0.310 1
1 224 . 8 1 1 A 42 42 PHE N N 20 120.560 122.292 -1.732 1
1 225 . 8 1 1 A 43 43 TYR H H 21 8.890 8.447 0.443 1
1 226 . 8 1 1 A 43 43 TYR HA H 21 3.700 4.230 -0.530 1
1 233 . 8 1 1 A 43 43 TYR C C 21 177.640 178.135 -0.495 1
1 234 . 8 1 1 A 43 43 TYR CA C 21 64.290 61.556 2.734 1
1 235 . 8 1 1 A 43 43 TYR CB C 21 38.110 37.406 0.704 1
1 238 . 8 1 1 A 43 43 TYR N N 21 118.420 118.148 0.272 1
1 239 . 8 1 1 A 44 44 LYS H H 22 8.860 8.128 0.732 1
1 240 . 8 1 1 A 44 44 LYS HA H 22 4.630 3.986 0.644 1
1 249 . 8 1 1 A 44 44 LYS C C 22 179.780 179.212 0.568 1
1 250 . 8 1 1 A 44 44 LYS CA C 22 59.630 59.624 0.006 1
1 251 . 8 1 1 A 44 44 LYS CB C 22 33.210 32.460 0.750 1
1 255 . 8 1 1 A 44 44 LYS N N 22 122.200 120.195 2.005 1
1 256 . 8 1 1 A 45 45 ALA H H 23 7.180 7.409 -0.229 1
1 257 . 8 1 1 A 45 45 ALA HA H 23 4.040 4.000 0.040 1
1 261 . 8 1 1 A 45 45 ALA C C 23 179.130 180.152 -1.022 1
1 262 . 8 1 1 A 45 45 ALA CA C 23 54.350 54.696 -0.346 1
1 263 . 8 1 1 A 45 45 ALA CB C 23 18.030 18.242 -0.212 1
1 264 . 8 1 1 A 45 45 ALA N N 23 120.710 121.649 -0.939 1
1 265 . 8 1 1 A 46 46 LEU H H 24 7.510 7.589 -0.079 1
1 266 . 8 1 1 A 46 46 LEU HA H 24 3.550 3.801 -0.251 1
1 276 . 8 1 1 A 46 46 LEU C C 24 178.680 178.706 -0.026 1
1 277 . 8 1 1 A 46 46 LEU CA C 24 57.910 57.424 0.486 1
1 278 . 8 1 1 A 46 46 LEU CB C 24 43.950 41.287 2.663 1
1 282 . 8 1 1 A 46 46 LEU N N 24 118.650 120.168 -1.518 1
1 283 . 8 1 1 A 47 47 LEU H H 25 8.800 7.615 1.185 1
1 284 . 8 1 1 A 47 47 LEU HA H 25 4.480 4.466 0.014 1
1 294 . 8 1 1 A 47 47 LEU C C 25 178.960 177.235 1.725 1
1 295 . 8 1 1 A 47 47 LEU CA C 25 55.010 56.063 -1.053 1
1 296 . 8 1 1 A 47 47 LEU CB C 25 42.500 42.735 -0.235 1
1 300 . 8 1 1 A 47 47 LEU N N 25 112.540 117.400 -4.860 1
1 301 . 8 1 1 A 48 48 GLY H H 26 7.810 8.141 -0.331 1
1 302 . 8 1 1 A 48 48 GLY HA2 H 26 4.030 3.940 0.090 1
1 303 . 8 1 1 A 48 48 GLY HA3 H 26 3.900 3.962 -0.062 1
1 304 . 8 1 1 A 48 48 GLY C C 26 173.560 173.783 -0.223 1
1 305 . 8 1 1 A 48 48 GLY CA C 26 46.810 45.599 1.211 1
1 306 . 8 1 1 A 48 48 GLY N N 26 107.650 106.442 1.208 1
1 307 . 8 1 1 A 49 49 VAL H H 27 7.100 7.269 -0.169 1
1 308 . 8 1 1 A 49 49 VAL HA H 27 4.700 4.808 -0.108 1
1 316 . 8 1 1 A 49 49 VAL C C 27 172.980 173.687 -0.707 1
1 317 . 8 1 1 A 49 49 VAL CA C 27 58.680 59.092 -0.412 1
1 318 . 8 1 1 A 49 49 VAL CB C 27 36.090 36.102 -0.012 1
1 321 . 8 1 1 A 49 49 VAL N N 27 110.770 115.086 -4.316 1
1 322 . 8 1 1 A 50 50 ASP H H 28 8.100 8.908 -0.808 1
1 323 . 8 1 1 A 50 50 ASP HA H 28 4.930 5.320 -0.390 1
1 326 . 8 1 1 A 50 50 ASP CA C 28 52.550 51.255 1.295 1
1 327 . 8 1 1 A 50 50 ASP CB C 28 40.520 43.525 -3.005 1
1 328 . 8 1 1 A 50 50 ASP N N 28 119.760 119.887 -0.127 1
1 329 . 8 1 1 A 51 51 PRO HA H 29 3.700 4.881 -1.181 1
1 336 . 8 1 1 A 51 51 PRO C C 29 176.580 177.936 -1.356 1
1 337 . 8 1 1 A 51 51 PRO CA C 29 62.900 62.935 -0.035 1
1 338 . 8 1 1 A 51 51 PRO CB C 29 30.550 31.763 -1.213 1
1 341 . 8 1 1 A 52 52 VAL H H 30 8.340 8.349 -0.009 1
1 342 . 8 1 1 A 52 52 VAL HA H 30 4.080 4.040 0.040 1
1 350 . 8 1 1 A 52 52 VAL C C 30 176.190 175.755 0.435 1
1 351 . 8 1 1 A 52 52 VAL CA C 30 62.790 64.172 -1.382 1
1 352 . 8 1 1 A 52 52 VAL CB C 30 32.280 32.522 -0.242 1
1 355 . 8 1 1 A 52 52 VAL N N 30 117.320 124.784 -7.464 1
1 356 . 8 1 1 A 53 53 GLU H H 31 7.170 7.598 -0.428 1
1 357 . 8 1 1 A 53 53 GLU HA H 31 4.580 4.823 -0.243 1
1 362 . 8 1 1 A 53 53 GLU C C 31 174.940 175.346 -0.406 1
1 363 . 8 1 1 A 53 53 GLU CA C 31 55.330 54.822 0.508 1
1 364 . 8 1 1 A 53 53 GLU CB C 31 33.370 33.336 0.034 1
1 366 . 8 1 1 A 53 53 GLU N N 31 118.180 120.009 -1.829 1
1 367 . 8 1 1 A 54 54 SER H H 32 8.650 8.704 -0.054 1
1 368 . 8 1 1 A 54 54 SER HA H 32 5.130 5.365 -0.235 1
1 371 . 8 1 1 A 54 54 SER C C 32 171.990 173.067 -1.077 1
1 372 . 8 1 1 A 54 54 SER CA C 32 57.940 57.129 0.811 1
1 373 . 8 1 1 A 54 54 SER CB C 32 64.720 66.025 -1.305 1
1 374 . 8 1 1 A 54 54 SER N N 32 117.210 116.255 0.955 1
1 375 . 8 1 1 A 55 55 SER H H 33 8.760 8.860 -0.100 1
1 376 . 8 1 1 A 55 55 SER N N 33 124.420 117.679 6.741 1
1 377 . 8 1 1 A 56 56 PRO HA H 34 4.320 4.350 -0.030 1
1 382 . 8 1 1 A 56 56 PRO C C 34 177.290 177.256 0.034 1
1 383 . 8 1 1 A 56 56 PRO CA C 34 65.750 65.130 0.620 1
1 384 . 8 1 1 A 56 56 PRO CB C 34 32.490 31.897 0.593 1
1 386 . 8 1 1 A 57 57 THR H H 35 7.810 8.231 -0.421 1
1 387 . 8 1 1 A 57 57 THR HA H 35 4.630 5.062 -0.432 1
1 392 . 8 1 1 A 57 57 THR C C 35 174.080 174.230 -0.150 1
1 393 . 8 1 1 A 57 57 THR CA C 35 61.860 61.582 0.278 1
1 394 . 8 1 1 A 57 57 THR CB C 35 70.940 70.567 0.373 1
1 396 . 8 1 1 A 57 57 THR N N 35 101.710 109.869 -8.159 1
1 397 . 8 1 1 A 58 58 PHE H H 36 7.670 7.443 0.227 1
1 398 . 8 1 1 A 58 58 PHE HA H 36 5.780 5.182 0.598 1
1 405 . 8 1 1 A 58 58 PHE CA C 36 57.820 57.439 0.381 1
1 406 . 8 1 1 A 58 58 PHE CB C 36 43.010 42.468 0.542 1
1 409 . 8 1 1 A 58 58 PHE N N 36 124.370 120.900 3.470 1
1 410 . 8 1 1 A 59 59 SER H H 37 8.070 8.519 -0.449 1
1 411 . 8 1 1 A 59 59 SER HA H 37 4.890 5.014 -0.124 1
1 414 . 8 1 1 A 59 59 SER C C 37 170.010 172.297 -2.287 1
1 415 . 8 1 1 A 59 59 SER CA C 37 56.660 57.426 -0.766 1
1 416 . 8 1 1 A 59 59 SER CB C 37 67.490 64.416 3.074 1
1 417 . 8 1 1 A 59 59 SER N N 37 122.930 123.736 -0.806 1
1 418 . 8 1 1 A 60 60 LEU H H 38 8.140 8.973 -0.833 1
1 419 . 8 1 1 A 60 60 LEU HA H 38 4.810 5.106 -0.296 1
1 429 . 8 1 1 A 60 60 LEU C C 38 174.000 175.045 -1.045 1
1 430 . 8 1 1 A 60 60 LEU CA C 38 53.750 52.576 1.174 1
1 431 . 8 1 1 A 60 60 LEU CB C 38 47.250 45.681 1.569 1
1 435 . 8 1 1 A 60 60 LEU N N 38 122.030 127.698 -5.668 1
1 436 . 8 1 1 A 61 61 PHE H H 39 9.460 8.534 0.926 1
1 437 . 8 1 1 A 61 61 PHE HA H 39 4.580 5.593 -1.013 1
1 444 . 8 1 1 A 61 61 PHE C C 39 174.390 172.368 2.022 1
1 445 . 8 1 1 A 61 61 PHE CA C 39 57.180 55.446 1.734 1
1 446 . 8 1 1 A 61 61 PHE CB C 39 41.570 43.184 -1.614 1
1 449 . 8 1 1 A 61 61 PHE N N 39 124.820 121.505 3.315 1
1 450 . 8 1 1 A 62 62 VAL H H 40 8.640 8.958 -0.318 1
1 451 . 8 1 1 A 62 62 VAL HA H 40 4.260 4.996 -0.736 1
1 459 . 8 1 1 A 62 62 VAL C C 40 175.380 174.228 1.152 1
1 460 . 8 1 1 A 62 62 VAL CA C 40 62.520 60.035 2.485 1
1 461 . 8 1 1 A 62 62 VAL CB C 40 32.470 34.969 -2.499 1
1 464 . 8 1 1 A 62 62 VAL N N 40 122.650 120.093 2.557 1
1 465 . 8 1 1 A 63 63 LEU H H 41 8.710 8.589 0.121 1
1 466 . 8 1 1 A 63 63 LEU HA H 41 4.590 4.604 -0.014 1
1 476 . 8 1 1 A 63 63 LEU CA C 41 53.560 53.946 -0.386 1
1 477 . 8 1 1 A 63 63 LEU CB C 41 41.600 42.188 -0.588 1
1 481 . 8 1 1 A 63 63 LEU N N 41 126.170 128.509 -2.339 1
1 482 . 8 1 1 A 64 64 ALA HA H 42 4.040 4.038 0.002 1
1 486 . 8 1 1 A 64 64 ALA CA C 42 55.050 54.597 0.453 1
1 487 . 8 1 1 A 64 64 ALA CB C 42 18.580 18.449 0.131 1
1 488 . 8 1 1 A 65 65 ASN H H 43 7.680 7.923 -0.243 1
1 489 . 8 1 1 A 65 65 ASN HA H 43 4.520 4.750 -0.230 1
1 494 . 8 1 1 A 65 65 ASN C C 43 175.860 175.431 0.429 1
1 495 . 8 1 1 A 65 65 ASN CA C 43 52.530 53.336 -0.806 1
1 496 . 8 1 1 A 65 65 ASN CB C 43 37.800 38.732 -0.932 1
1 497 . 8 1 1 A 65 65 ASN N N 43 112.130 114.639 -2.509 1
1 499 . 8 1 1 A 66 66 GLY H H 44 8.070 7.857 0.213 1
1 500 . 8 1 1 A 66 66 GLY HA2 H 44 4.330 3.958 0.372 1
1 501 . 8 1 1 A 66 66 GLY HA3 H 44 3.480 3.960 -0.480 1
1 502 . 8 1 1 A 66 66 GLY C C 44 174.260 174.324 -0.064 1
1 503 . 8 1 1 A 66 66 GLY CA C 44 44.930 45.016 -0.086 1
1 504 . 8 1 1 A 66 66 GLY N N 44 107.650 106.143 1.507 1
1 505 . 8 1 1 A 67 67 MET H H 45 7.900 7.950 -0.050 1
1 506 . 8 1 1 A 67 67 MET HA H 45 4.420 4.561 -0.141 1
1 514 . 8 1 1 A 67 67 MET CA C 45 55.520 55.383 0.137 1
1 515 . 8 1 1 A 67 67 MET CB C 45 33.630 34.093 -0.463 1
1 518 . 8 1 1 A 67 67 MET N N 45 121.850 119.763 2.087 1
1 519 . 8 1 1 A 68 68 LYS HA H 46 5.040 5.299 -0.259 1
1 528 . 8 1 1 A 68 68 LYS C C 46 174.600 174.718 -0.118 1
1 529 . 8 1 1 A 68 68 LYS CA C 46 55.410 55.074 0.336 1
1 530 . 8 1 1 A 68 68 LYS CB C 46 34.460 36.063 -1.603 1
1 534 . 8 1 1 A 69 69 LEU H H 47 8.830 9.039 -0.209 1
1 535 . 8 1 1 A 69 69 LEU HA H 47 5.450 5.674 -0.224 1
1 545 . 8 1 1 A 69 69 LEU C C 47 174.880 176.645 -1.765 1
1 546 . 8 1 1 A 69 69 LEU CA C 47 52.980 53.315 -0.335 1
1 547 . 8 1 1 A 69 69 LEU CB C 47 46.560 45.731 0.829 1
1 551 . 8 1 1 A 69 69 LEU N N 47 124.960 126.016 -1.056 1
1 552 . 8 1 1 A 70 70 GLY H H 48 9.580 9.093 0.487 1
1 553 . 8 1 1 A 70 70 GLY HA2 H 48 5.220 4.042 1.178 1
1 554 . 8 1 1 A 70 70 GLY HA3 H 48 3.090 4.149 -1.059 1
1 555 . 8 1 1 A 70 70 GLY C C 48 170.590 172.070 -1.480 1
1 556 . 8 1 1 A 70 70 GLY CA C 48 43.370 44.009 -0.639 1
1 557 . 8 1 1 A 70 70 GLY N N 48 113.940 112.941 0.999 1
1 558 . 8 1 1 A 71 71 LEU H H 49 8.250 7.628 0.622 1
1 559 . 8 1 1 A 71 71 LEU HA H 49 5.150 4.906 0.244 1
1 569 . 8 1 1 A 71 71 LEU C C 49 173.920 174.256 -0.336 1
1 570 . 8 1 1 A 71 71 LEU CA C 49 52.770 53.368 -0.598 1
1 571 . 8 1 1 A 71 71 LEU CB C 49 43.100 44.168 -1.068 1
1 575 . 8 1 1 A 71 71 LEU N N 49 122.270 120.669 1.601 1
1 576 . 8 1 1 A 72 72 TRP H H 50 8.960 8.631 0.329 1
1 577 . 8 1 1 A 72 72 TRP HA H 50 5.860 5.361 0.499 1
1 584 . 8 1 1 A 72 72 TRP C C 50 175.740 175.446 0.294 1
1 585 . 8 1 1 A 72 72 TRP CA C 50 53.170 55.097 -1.927 1
1 586 . 8 1 1 A 72 72 TRP CB C 50 34.990 31.733 3.257 1
1 590 . 8 1 1 A 72 72 TRP N N 50 125.010 128.102 -3.092 1
1 592 . 8 1 1 A 73 73 SER H H 51 9.010 9.248 -0.238 1
1 593 . 8 1 1 A 73 73 SER HA H 51 4.570 5.143 -0.573 1
1 596 . 8 1 1 A 73 73 SER C C 51 176.240 175.801 0.439 1
1 597 . 8 1 1 A 73 73 SER CA C 51 58.490 58.390 0.100 1
1 598 . 8 1 1 A 73 73 SER CB C 51 63.770 63.619 0.151 1
1 599 . 8 1 1 A 73 73 SER N N 51 120.380 119.501 0.879 1
1 600 . 8 1 1 A 74 74 ARG H H 52 9.420 8.891 0.529 1
1 601 . 8 1 1 A 74 74 ARG HA H 52 3.460 3.872 -0.412 1
1 608 . 8 1 1 A 74 74 ARG C C 52 175.610 176.649 -1.039 1
1 609 . 8 1 1 A 74 74 ARG CA C 52 57.590 57.757 -0.167 1
1 610 . 8 1 1 A 74 74 ARG CB C 52 28.900 29.232 -0.332 1
1 613 . 8 1 1 A 74 74 ARG N N 52 128.770 122.204 6.566 1
1 614 . 8 1 1 A 75 75 HIS H H 53 7.910 8.217 -0.307 1
1 615 . 8 1 1 A 75 75 HIS HA H 53 4.310 4.406 -0.096 1
1 619 . 8 1 1 A 75 75 HIS C C 53 176.610 175.283 1.327 1
1 620 . 8 1 1 A 75 75 HIS CA C 53 57.190 57.567 -0.377 1
1 621 . 8 1 1 A 75 75 HIS CB C 53 31.260 29.303 1.957 1
1 623 . 8 1 1 A 75 75 HIS N N 53 117.320 117.174 0.146 1
1 624 . 8 1 1 A 76 76 THR H H 54 7.360 7.350 0.010 1
1 625 . 8 1 1 A 76 76 THR HA H 54 4.540 4.363 0.177 1
1 630 . 8 1 1 A 76 76 THR C C 54 175.120 173.523 1.597 1
1 631 . 8 1 1 A 76 76 THR CA C 54 61.840 60.858 0.982 1
1 632 . 8 1 1 A 76 76 THR CB C 54 69.680 70.105 -0.425 1
1 634 . 8 1 1 A 76 76 THR N N 54 107.350 113.969 -6.619 1
1 635 . 8 1 1 A 77 77 VAL H H 55 6.630 7.175 -0.545 1
1 636 . 8 1 1 A 77 77 VAL HA H 55 2.700 2.993 -0.293 1
1 644 . 8 1 1 A 77 77 VAL C C 55 173.920 174.978 -1.058 1
1 645 . 8 1 1 A 77 77 VAL CA C 55 63.500 62.150 1.350 1
1 646 . 8 1 1 A 77 77 VAL CB C 55 31.270 31.780 -0.510 1
1 649 . 8 1 1 A 77 77 VAL N N 55 123.760 122.729 1.031 1
1 650 . 8 1 1 A 78 78 GLU H H 56 6.010 7.903 -1.893 1
1 651 . 8 1 1 A 78 78 GLU HA H 56 4.160 4.740 -0.580 1
1 656 . 8 1 1 A 78 78 GLU CA C 56 53.120 52.391 0.729 1
1 657 . 8 1 1 A 78 78 GLU CB C 56 32.240 31.133 1.107 1
1 659 . 8 1 1 A 78 78 GLU N N 56 124.820 127.769 -2.949 1
1 660 . 8 1 1 A 79 79 PRO HA H 57 4.620 4.527 0.093 1
1 667 . 8 1 1 A 79 79 PRO C C 57 176.190 176.433 -0.243 1
1 668 . 8 1 1 A 79 79 PRO CA C 57 61.890 62.390 -0.500 1
1 669 . 8 1 1 A 79 79 PRO CB C 57 33.620 32.152 1.468 1
1 672 . 8 1 1 A 80 80 LYS H H 58 8.340 8.131 0.209 1
1 673 . 8 1 1 A 80 80 LYS HA H 58 3.880 4.113 -0.233 1
1 682 . 8 1 1 A 80 80 LYS C C 58 177.100 176.194 0.906 1
1 683 . 8 1 1 A 80 80 LYS CA C 58 57.610 56.548 1.062 1
1 684 . 8 1 1 A 80 80 LYS CB C 58 32.400 32.196 0.204 1
1 688 . 8 1 1 A 80 80 LYS N N 58 121.510 122.379 -0.869 1
1 689 . 8 1 1 A 81 81 ALA H H 59 8.430 8.468 -0.038 1
1 690 . 8 1 1 A 81 81 ALA HA H 59 4.870 4.857 0.013 1
1 694 . 8 1 1 A 81 81 ALA C C 59 177.460 175.475 1.985 1
1 695 . 8 1 1 A 81 81 ALA CA C 59 51.020 50.997 0.023 1
1 696 . 8 1 1 A 81 81 ALA CB C 59 22.910 20.458 2.452 1
1 697 . 8 1 1 A 81 81 ALA N N 59 129.030 127.318 1.712 1
1 698 . 8 1 1 A 82 82 SER H H 60 9.680 8.705 0.975 1
1 699 . 8 1 1 A 82 82 SER HA H 60 4.510 4.799 -0.289 1
1 702 . 8 1 1 A 82 82 SER C C 60 172.960 173.120 -0.160 1
1 703 . 8 1 1 A 82 82 SER CA C 60 58.350 57.971 0.379 1
1 704 . 8 1 1 A 82 82 SER CB C 60 65.150 61.509 3.641 1
1 705 . 8 1 1 A 82 82 SER N N 60 115.930 121.268 -5.338 1
1 706 . 8 1 1 A 83 83 VAL H H 61 7.450 8.064 -0.614 1
1 707 . 8 1 1 A 83 83 VAL HA H 61 4.260 4.829 -0.569 1
1 715 . 8 1 1 A 83 83 VAL CA C 61 60.940 59.759 1.181 1
1 716 . 8 1 1 A 83 83 VAL CB C 61 35.360 35.350 0.010 1
1 719 . 8 1 1 A 83 83 VAL N N 61 121.550 118.640 2.910 1
1 720 . 8 1 1 A 84 84 THR H H 62 7.850 8.926 -1.076 1
1 721 . 8 1 1 A 84 84 THR HA H 62 4.750 5.261 -0.511 1
1 726 . 8 1 1 A 84 84 THR C C 62 174.040 173.214 0.826 1
1 727 . 8 1 1 A 84 84 THR CA C 62 59.370 60.097 -0.727 1
1 728 . 8 1 1 A 84 84 THR CB C 62 68.800 71.367 -2.567 1
1 730 . 8 1 1 A 84 84 THR N N 62 111.040 115.612 -4.572 1
1 731 . 8 1 1 A 85 85 GLY H H 63 7.950 8.413 -0.463 1
1 732 . 8 1 1 A 85 85 GLY HA2 H 63 3.480 4.158 -0.678 1
1 733 . 8 1 1 A 85 85 GLY HA3 H 63 2.950 4.180 -1.230 1
1 734 . 8 1 1 A 85 85 GLY C C 63 174.140 172.835 1.305 1
1 735 . 8 1 1 A 85 85 GLY CA C 63 45.490 46.039 -0.549 1
1 736 . 8 1 1 A 85 85 GLY N N 63 109.700 108.355 1.345 1
1 737 . 8 1 1 A 86 86 GLY H H 64 8.530 8.370 0.160 1
1 738 . 8 1 1 A 86 86 GLY HA2 H 64 4.550 4.085 0.465 1
1 739 . 8 1 1 A 86 86 GLY HA3 H 64 3.700 4.096 -0.396 1
1 740 . 8 1 1 A 86 86 GLY C C 64 174.700 175.285 -0.585 1
1 741 . 8 1 1 A 86 86 GLY CA C 64 45.600 44.538 1.062 1
1 742 . 8 1 1 A 86 86 GLY N N 64 107.420 111.964 -4.544 1
1 743 . 8 1 1 A 87 87 GLY H H 65 9.280 8.621 0.659 1
1 744 . 8 1 1 A 87 87 GLY HA2 H 65 4.860 4.085 0.775 1
1 745 . 8 1 1 A 87 87 GLY HA3 H 65 4.160 4.099 0.061 1
1 746 . 8 1 1 A 87 87 GLY C C 65 172.640 173.915 -1.275 1
1 747 . 8 1 1 A 87 87 GLY CA C 65 45.630 45.542 0.088 1
1 748 . 8 1 1 A 87 87 GLY N N 65 111.380 108.026 3.354 1
1 749 . 8 1 1 A 88 88 GLY H H 66 6.610 7.605 -0.995 1
1 750 . 8 1 1 A 88 88 GLY HA2 H 66 4.020 4.117 -0.097 1
1 751 . 8 1 1 A 88 88 GLY HA3 H 66 2.360 4.123 -1.763 1
1 752 . 8 1 1 A 88 88 GLY C C 66 172.250 172.228 0.022 1
1 753 . 8 1 1 A 88 88 GLY CA C 66 43.910 45.152 -1.242 1
1 754 . 8 1 1 A 88 88 GLY N N 66 105.700 107.077 -1.377 1
1 755 . 8 1 1 A 89 89 GLU H H 67 9.230 9.055 0.175 1
1 756 . 8 1 1 A 89 89 GLU HA H 67 5.100 5.098 0.002 1
1 761 . 8 1 1 A 89 89 GLU C C 67 175.770 174.771 0.999 1
1 762 . 8 1 1 A 89 89 GLU CA C 67 54.540 54.710 -0.170 1
1 763 . 8 1 1 A 89 89 GLU CB C 67 34.710 31.991 2.719 1
1 765 . 8 1 1 A 89 89 GLU N N 67 117.210 120.638 -3.428 1
1 766 . 8 1 1 A 90 90 LEU H H 68 8.470 8.846 -0.376 1
1 767 . 8 1 1 A 90 90 LEU HA H 68 5.050 5.038 0.012 1
1 777 . 8 1 1 A 90 90 LEU C C 68 175.460 174.930 0.530 1
1 778 . 8 1 1 A 90 90 LEU CA C 68 54.160 53.929 0.231 1
1 779 . 8 1 1 A 90 90 LEU CB C 68 44.250 44.508 -0.258 1
1 783 . 8 1 1 A 90 90 LEU N N 68 120.420 122.736 -2.316 1
1 784 . 8 1 1 A 91 91 ALA H H 69 8.880 8.952 -0.072 1
1 785 . 8 1 1 A 91 91 ALA HA H 69 5.990 5.078 0.912 1
1 789 . 8 1 1 A 91 91 ALA C C 69 175.300 176.311 -1.011 1
1 790 . 8 1 1 A 91 91 ALA CA C 69 50.340 50.296 0.044 1
1 791 . 8 1 1 A 91 91 ALA CB C 69 21.140 20.159 0.981 1
1 792 . 8 1 1 A 91 91 ALA N N 69 124.720 130.623 -5.903 1
1 793 . 8 1 1 A 92 92 PHE H H 70 10.090 9.664 0.426 1
1 794 . 8 1 1 A 92 92 PHE HA H 70 4.700 5.231 -0.531 1
1 802 . 8 1 1 A 92 92 PHE CA C 70 56.580 57.031 -0.451 1
1 803 . 8 1 1 A 92 92 PHE CB C 70 40.490 40.375 0.115 1
1 807 . 8 1 1 A 92 92 PHE N N 70 122.920 124.136 -1.216 1
1 808 . 8 1 1 A 93 93 ARG H H 71 9.030 9.064 -0.034 1
1 809 . 8 1 1 A 93 93 ARG HA H 71 4.460 4.549 -0.089 1
1 816 . 8 1 1 A 93 93 ARG C C 71 176.910 175.883 1.027 1
1 817 . 8 1 1 A 93 93 ARG CA C 71 55.080 55.559 -0.479 1
1 818 . 8 1 1 A 93 93 ARG CB C 71 31.950 31.972 -0.022 1
1 821 . 8 1 1 A 93 93 ARG N N 71 125.390 124.355 1.035 1
1 822 . 8 1 1 A 94 94 VAL H H 72 8.470 8.169 0.301 1
1 823 . 8 1 1 A 94 94 VAL HA H 72 4.820 4.667 0.153 1
1 831 . 8 1 1 A 94 94 VAL C C 72 176.320 176.249 0.071 1
1 832 . 8 1 1 A 94 94 VAL CA C 72 59.190 58.948 0.242 1
1 833 . 8 1 1 A 94 94 VAL CB C 72 32.550 34.424 -1.874 1
1 836 . 8 1 1 A 94 94 VAL N N 72 119.430 119.941 -0.511 1
1 837 . 8 1 1 A 95 95 GLU H H 73 8.160 8.842 -0.682 1
1 838 . 8 1 1 A 95 95 GLU HA H 73 3.940 4.178 -0.238 1
1 843 . 8 1 1 A 95 95 GLU C C 73 176.560 176.543 0.017 1
1 844 . 8 1 1 A 95 95 GLU CA C 73 59.620 58.672 0.948 1
1 845 . 8 1 1 A 95 95 GLU CB C 73 31.400 29.541 1.859 1
1 847 . 8 1 1 A 95 95 GLU N N 73 116.510 120.483 -3.973 1
1 848 . 8 1 1 A 96 96 ASN H H 74 7.240 7.834 -0.594 1
1 849 . 8 1 1 A 96 96 ASN HA H 74 4.780 4.956 -0.176 1
1 854 . 8 1 1 A 96 96 ASN C C 74 174.960 174.740 0.220 1
1 855 . 8 1 1 A 96 96 ASN CA C 74 51.570 52.448 -0.878 1
1 856 . 8 1 1 A 96 96 ASN CB C 74 40.130 39.506 0.624 1
1 857 . 8 1 1 A 96 96 ASN N N 74 108.930 114.033 -5.103 1
1 859 . 8 1 1 A 97 97 ASP H H 75 8.330 9.115 -0.785 1
1 860 . 8 1 1 A 97 97 ASP HA H 75 4.190 4.564 -0.374 1
1 863 . 8 1 1 A 97 97 ASP C C 75 177.800 178.585 -0.785 1
1 864 . 8 1 1 A 97 97 ASP CA C 75 57.780 56.784 0.996 1
1 865 . 8 1 1 A 97 97 ASP CB C 75 39.230 39.799 -0.569 1
1 866 . 8 1 1 A 97 97 ASP N N 75 120.390 118.310 2.080 1
1 867 . 8 1 1 A 98 98 ALA H H 76 8.090 8.011 0.079 1
1 868 . 8 1 1 A 98 98 ALA HA H 76 4.210 3.974 0.236 1
1 872 . 8 1 1 A 98 98 ALA C C 76 181.130 179.854 1.276 1
1 873 . 8 1 1 A 98 98 ALA CA C 76 55.160 55.291 -0.131 1
1 874 . 8 1 1 A 98 98 ALA CB C 76 17.440 18.200 -0.760 1
1 875 . 8 1 1 A 98 98 ALA N N 76 122.660 121.778 0.882 1
1 876 . 8 1 1 A 99 99 GLN H H 77 8.110 7.811 0.299 1
1 877 . 8 1 1 A 99 99 GLN HA H 77 4.170 4.043 0.127 1
1 884 . 8 1 1 A 99 99 GLN C C 77 180.190 178.461 1.729 1
1 885 . 8 1 1 A 99 99 GLN CA C 77 58.680 58.552 0.128 1
1 886 . 8 1 1 A 99 99 GLN CB C 77 28.590 28.684 -0.094 1
1 888 . 8 1 1 A 99 99 GLN N N 77 116.870 117.717 -0.847 1
1 890 . 8 1 1 A 100 100 VAL H H 78 7.860 8.050 -0.190 1
1 891 . 8 1 1 A 100 100 VAL HA H 78 3.400 3.523 -0.123 1
1 899 . 8 1 1 A 100 100 VAL C C 78 177.510 177.742 -0.232 1
1 900 . 8 1 1 A 100 100 VAL CA C 78 67.800 66.257 1.543 1
1 901 . 8 1 1 A 100 100 VAL CB C 78 30.810 31.810 -1.000 1
1 904 . 8 1 1 A 100 100 VAL N N 78 125.200 121.132 4.068 1
1 905 . 8 1 1 A 101 101 ASP H H 79 7.810 7.903 -0.093 1
1 906 . 8 1 1 A 101 101 ASP HA H 79 4.420 4.171 0.249 1
1 909 . 8 1 1 A 101 101 ASP C C 79 175.010 178.609 -3.599 1
1 910 . 8 1 1 A 101 101 ASP CA C 79 58.490 57.284 1.206 1
1 911 . 8 1 1 A 101 101 ASP CB C 79 40.400 40.875 -0.475 1
1 912 . 8 1 1 A 101 101 ASP N N 79 119.560 120.272 -0.712 1
1 913 . 8 1 1 A 102 102 GLU H H 80 8.620 8.013 0.607 1
1 914 . 8 1 1 A 102 102 GLU HA H 80 4.080 4.035 0.045 1
1 919 . 8 1 1 A 102 102 GLU C C 80 179.540 179.562 -0.022 1
1 920 . 8 1 1 A 102 102 GLU CA C 80 59.470 59.413 0.057 1
1 921 . 8 1 1 A 102 102 GLU CB C 80 30.210 29.280 0.930 1
1 923 . 8 1 1 A 102 102 GLU N N 80 121.400 118.895 2.505 1
1 924 . 8 1 1 A 103 103 THR H H 81 8.120 7.559 0.561 1
1 925 . 8 1 1 A 103 103 THR HA H 81 3.660 3.717 -0.057 1
1 930 . 8 1 1 A 103 103 THR C C 81 174.440 175.895 -1.455 1
1 931 . 8 1 1 A 103 103 THR CA C 81 66.990 65.600 1.390 1
1 932 . 8 1 1 A 103 103 THR CB C 81 68.070 68.005 0.065 1
1 934 . 8 1 1 A 103 103 THR N N 81 118.770 118.024 0.746 1
1 935 . 8 1 1 A 104 104 PHE H H 82 8.340 7.957 0.383 1
1 936 . 8 1 1 A 104 104 PHE HA H 82 3.030 3.570 -0.540 1
1 943 . 8 1 1 A 104 104 PHE C C 82 176.050 176.891 -0.841 1
1 944 . 8 1 1 A 104 104 PHE CA C 82 61.480 61.810 -0.330 1
1 945 . 8 1 1 A 104 104 PHE CB C 82 38.550 38.782 -0.232 1
1 948 . 8 1 1 A 104 104 PHE N N 82 122.350 121.512 0.838 1
1 949 . 8 1 1 A 105 105 ALA H H 83 7.780 8.211 -0.431 1
1 950 . 8 1 1 A 105 105 ALA HA H 83 3.680 4.167 -0.487 1
1 954 . 8 1 1 A 105 105 ALA C C 83 181.410 179.853 1.557 1
1 955 . 8 1 1 A 105 105 ALA CA C 83 54.880 54.949 -0.069 1
1 956 . 8 1 1 A 105 105 ALA CB C 83 18.080 18.479 -0.399 1
1 957 . 8 1 1 A 105 105 ALA N N 83 118.740 121.196 -2.456 1
1 958 . 8 1 1 A 106 106 GLY H H 84 8.120 8.103 0.017 1
1 959 . 8 1 1 A 106 106 GLY HA2 H 84 3.910 3.617 0.293 1
1 960 . 8 1 1 A 106 106 GLY HA3 H 84 3.810 3.641 0.169 1
1 961 . 8 1 1 A 106 106 GLY C C 84 176.780 176.869 -0.089 1
1 962 . 8 1 1 A 106 106 GLY CA C 84 46.910 47.202 -0.292 1
1 963 . 8 1 1 A 106 106 GLY N N 84 107.090 105.320 1.770 1
1 964 . 8 1 1 A 107 107 TRP H H 85 9.240 7.828 1.412 1
1 965 . 8 1 1 A 107 107 TRP HA H 85 4.440 4.615 -0.175 1
1 972 . 8 1 1 A 107 107 TRP C C 85 179.210 178.387 0.823 1
1 973 . 8 1 1 A 107 107 TRP CA C 85 59.190 60.494 -1.304 1
1 974 . 8 1 1 A 107 107 TRP CB C 85 28.450 29.191 -0.741 1
1 978 . 8 1 1 A 107 107 TRP N N 85 124.820 122.189 2.631 1
1 980 . 8 1 1 A 108 108 LYS H H 86 8.610 8.246 0.364 1
1 981 . 8 1 1 A 108 108 LYS HA H 86 3.920 3.913 0.007 1
1 990 . 8 1 1 A 108 108 LYS C C 86 180.980 178.754 2.226 1
1 991 . 8 1 1 A 108 108 LYS CA C 86 60.040 59.386 0.654 1
1 992 . 8 1 1 A 108 108 LYS CB C 86 31.850 32.312 -0.462 1
1 996 . 8 1 1 A 108 108 LYS N N 86 121.490 121.249 0.241 1
1 997 . 8 1 1 A 109 109 ALA H H 87 7.890 7.799 0.091 1
1 998 . 8 1 1 A 109 109 ALA HA H 87 4.150 4.186 -0.036 1
1 1002 . 8 1 1 A 109 109 ALA C C 87 179.050 178.172 0.878 1
1 1003 . 8 1 1 A 109 109 ALA CA C 87 54.670 53.847 0.823 1
1 1004 . 8 1 1 A 109 109 ALA CB C 87 18.010 18.481 -0.471 1
1 1005 . 8 1 1 A 109 109 ALA N N 87 121.920 121.476 0.444 1
1 1006 . 8 1 1 A 110 110 SER H H 88 7.510 7.544 -0.034 1
1 1007 . 8 1 1 A 110 110 SER HA H 88 4.450 4.650 -0.200 1
1 1010 . 8 1 1 A 110 110 SER C C 88 174.140 174.726 -0.586 1
1 1011 . 8 1 1 A 110 110 SER CA C 88 58.750 58.229 0.521 1
1 1012 . 8 1 1 A 110 110 SER CB C 88 63.950 63.382 0.568 1
1 1013 . 8 1 1 A 110 110 SER N N 88 112.390 111.815 0.575 1
1 1014 . 8 1 1 A 111 111 GLY H H 89 7.790 8.056 -0.266 1
1 1015 . 8 1 1 A 111 111 GLY HA2 H 89 4.180 3.979 0.201 1
1 1016 . 8 1 1 A 111 111 GLY HA3 H 89 3.700 4.021 -0.321 1
1 1017 . 8 1 1 A 111 111 GLY C C 89 174.520 174.629 -0.109 1
1 1018 . 8 1 1 A 111 111 GLY CA C 89 45.530 46.713 -1.183 1
1 1019 . 8 1 1 A 111 111 GLY N N 89 108.220 110.218 -1.998 1
1 1020 . 8 1 1 A 112 112 VAL H H 90 7.660 7.747 -0.087 1
1 1021 . 8 1 1 A 112 112 VAL HA H 90 3.830 4.355 -0.525 1
1 1029 . 8 1 1 A 112 112 VAL C C 90 175.430 176.417 -0.987 1
1 1030 . 8 1 1 A 112 112 VAL CA C 90 63.880 60.817 3.063 1
1 1031 . 8 1 1 A 112 112 VAL CB C 90 32.040 33.192 -1.152 1
1 1034 . 8 1 1 A 112 112 VAL N N 90 122.880 119.898 2.982 1
1 1035 . 8 1 1 A 113 113 ALA H H 91 8.720 8.398 0.322 1
1 1036 . 8 1 1 A 113 113 ALA HA H 91 4.210 4.145 0.065 1
1 1040 . 8 1 1 A 113 113 ALA C C 91 176.290 177.658 -1.368 1
1 1041 . 8 1 1 A 113 113 ALA CA C 91 52.900 55.061 -2.161 1
1 1042 . 8 1 1 A 113 113 ALA CB C 91 19.290 19.133 0.157 1
1 1043 . 8 1 1 A 113 113 ALA N N 91 132.080 128.451 3.629 1
1 1044 . 8 1 1 A 114 114 MET H H 92 8.260 7.927 0.333 1
1 1045 . 8 1 1 A 114 114 MET HA H 92 5.330 4.158 1.172 1
1 1051 . 8 1 1 A 114 114 MET C C 92 176.780 176.231 0.549 1
1 1052 . 8 1 1 A 114 114 MET CA C 92 53.390 56.208 -2.818 1
1 1053 . 8 1 1 A 114 114 MET CB C 92 33.450 31.144 2.306 1
1 1055 . 8 1 1 A 114 114 MET N N 92 116.930 116.760 0.170 1
1 1056 . 8 1 1 A 115 115 LEU H H 93 8.990 8.162 0.828 1
1 1057 . 8 1 1 A 115 115 LEU HA H 93 4.550 4.991 -0.441 1
1 1067 . 8 1 1 A 115 115 LEU C C 93 176.630 175.580 1.050 1
1 1068 . 8 1 1 A 115 115 LEU CA C 93 55.140 53.789 1.351 1
1 1069 . 8 1 1 A 115 115 LEU CB C 93 44.810 42.703 2.107 1
1 1073 . 8 1 1 A 115 115 LEU N N 93 122.250 117.146 5.104 1
1 1074 . 8 1 1 A 116 116 GLN H H 94 8.280 8.209 0.071 1
1 1075 . 8 1 1 A 116 116 GLN HA H 94 4.700 4.683 0.017 1
1 1080 . 8 1 1 A 116 116 GLN C C 94 174.860 173.851 1.009 1
1 1081 . 8 1 1 A 116 116 GLN CA C 94 55.600 55.847 -0.247 1
1 1082 . 8 1 1 A 116 116 GLN CB C 94 33.510 32.824 0.686 1
1 1083 . 8 1 1 A 116 116 GLN N N 94 121.140 123.113 -1.973 1
1 1085 . 8 1 1 A 117 117 GLN H H 95 8.490 8.638 -0.148 1
1 1086 . 8 1 1 A 117 117 GLN HA H 95 4.080 4.893 -0.813 1
1 1093 . 8 1 1 A 117 117 GLN CA C 95 54.860 52.828 2.032 1
1 1094 . 8 1 1 A 117 117 GLN CB C 95 26.550 29.210 -2.660 1
1 1096 . 8 1 1 A 117 117 GLN N N 95 125.610 124.592 1.018 1
1 1098 . 8 1 1 A 118 118 PRO HA H 96 4.410 4.566 -0.156 1
1 1103 . 8 1 1 A 118 118 PRO C C 96 176.290 176.222 0.068 1
1 1104 . 8 1 1 A 118 118 PRO CA C 96 64.130 63.134 0.996 1
1 1105 . 8 1 1 A 118 118 PRO CB C 96 30.550 31.602 -1.052 1
1 1107 . 8 1 1 A 119 119 ALA H H 97 8.980 8.132 0.848 1
1 1108 . 8 1 1 A 119 119 ALA HA H 97 4.550 5.007 -0.457 1
1 1112 . 8 1 1 A 119 119 ALA C C 97 175.820 176.420 -0.600 1
1 1113 . 8 1 1 A 119 119 ALA CA C 97 51.100 50.833 0.267 1
1 1114 . 8 1 1 A 119 119 ALA CB C 97 22.150 21.887 0.263 1
1 1115 . 8 1 1 A 119 119 ALA N N 97 126.580 126.409 0.171 1
1 1116 . 8 1 1 A 120 120 LYS H H 98 8.710 8.611 0.099 1
1 1117 . 8 1 1 A 120 120 LYS HA H 98 4.450 4.740 -0.290 1
1 1126 . 8 1 1 A 120 120 LYS C C 98 175.950 175.549 0.401 1
1 1127 . 8 1 1 A 120 120 LYS CA C 98 56.360 55.667 0.693 1
1 1128 . 8 1 1 A 120 120 LYS CB C 98 32.090 33.030 -0.940 1
1 1132 . 8 1 1 A 120 120 LYS N N 98 121.330 122.089 -0.759 1
1 1133 . 8 1 1 A 121 121 MET H H 99 8.130 8.617 -0.487 1
1 1138 . 8 1 1 A 121 121 MET N N 99 125.590 125.507 0.083 1
1 1139 . 8 1 1 A 122 122 GLU HA H 100 3.890 3.866 0.024 1
1 1144 . 8 1 1 A 122 122 GLU C C 100 176.450 177.887 -1.437 1
1 1145 . 8 1 1 A 122 122 GLU CA C 100 59.740 59.347 0.393 1
1 1146 . 8 1 1 A 122 122 GLU CB C 100 29.200 29.158 0.042 1
1 1148 . 8 1 1 A 123 123 PHE H H 101 6.120 7.844 -1.724 1
1 1149 . 8 1 1 A 123 123 PHE HA H 101 4.430 4.337 0.093 1
1 1152 . 8 1 1 A 123 123 PHE C C 101 173.950 175.281 -1.331 1
1 1153 . 8 1 1 A 123 123 PHE CA C 101 54.750 57.899 -3.149 1
1 1154 . 8 1 1 A 123 123 PHE CB C 101 38.630 39.405 -0.775 1
1 1155 . 8 1 1 A 123 123 PHE N N 101 108.900 115.419 -6.519 1
1 1156 . 8 1 1 A 124 124 GLY H H 102 6.670 7.195 -0.525 1
1 1157 . 8 1 1 A 124 124 GLY HA2 H 102 4.780 4.067 0.713 1
1 1158 . 8 1 1 A 124 124 GLY HA3 H 102 3.770 4.107 -0.337 1
1 1159 . 8 1 1 A 124 124 GLY C C 102 170.410 172.172 -1.762 1
1 1160 . 8 1 1 A 124 124 GLY CA C 102 44.570 44.035 0.535 1
1 1161 . 8 1 1 A 124 124 GLY N N 102 108.900 106.836 2.064 1
1 1162 . 8 1 1 A 125 125 TYR H H 103 8.210 8.367 -0.157 1
1 1163 . 8 1 1 A 125 125 TYR HA H 103 5.080 4.885 0.195 1
1 1170 . 8 1 1 A 125 125 TYR C C 103 175.980 174.271 1.709 1
1 1171 . 8 1 1 A 125 125 TYR CA C 103 56.530 56.748 -0.218 1
1 1172 . 8 1 1 A 125 125 TYR CB C 103 40.180 38.906 1.274 1
1 1175 . 8 1 1 A 125 125 TYR N N 103 123.360 122.177 1.183 1
1 1176 . 8 1 1 A 126 126 THR H H 104 8.450 8.983 -0.533 1
1 1177 . 8 1 1 A 126 126 THR HA H 104 5.630 5.268 0.362 1
1 1182 . 8 1 1 A 126 126 THR C C 104 170.010 172.521 -2.511 1
1 1183 . 8 1 1 A 126 126 THR CA C 104 58.490 60.046 -1.556 1
1 1184 . 8 1 1 A 126 126 THR CB C 104 72.110 71.928 0.182 1
1 1186 . 8 1 1 A 126 126 THR N N 104 120.720 122.114 -1.394 1
1 1187 . 8 1 1 A 127 127 PHE H H 105 8.170 8.997 -0.827 1
1 1188 . 8 1 1 A 127 127 PHE HA H 105 4.620 5.259 -0.639 1
1 1195 . 8 1 1 A 127 127 PHE C C 105 172.490 173.183 -0.693 1
1 1196 . 8 1 1 A 127 127 PHE CA C 105 56.610 57.241 -0.631 1
1 1197 . 8 1 1 A 127 127 PHE CB C 105 41.710 43.013 -1.303 1
1 1200 . 8 1 1 A 127 127 PHE N N 105 120.530 127.284 -6.754 1
1 1201 . 8 1 1 A 128 128 THR H H 106 8.450 8.647 -0.197 1
1 1202 . 8 1 1 A 128 128 THR HA H 106 5.090 4.754 0.336 1
1 1207 . 8 1 1 A 128 128 THR C C 106 172.750 173.342 -0.592 1
1 1208 . 8 1 1 A 128 128 THR CA C 106 63.340 60.722 2.618 1
1 1209 . 8 1 1 A 128 128 THR CB C 106 70.420 72.234 -1.814 1
1 1211 . 8 1 1 A 128 128 THR N N 106 114.010 119.733 -5.723 1
1 1212 . 8 1 1 A 129 129 ALA H H 107 10.030 9.063 0.967 1
1 1213 . 8 1 1 A 129 129 ALA HA H 107 5.540 5.293 0.247 1
1 1217 . 8 1 1 A 129 129 ALA C C 107 179.620 175.657 3.963 1
1 1218 . 8 1 1 A 129 129 ALA CA C 107 50.640 50.335 0.305 1
1 1219 . 8 1 1 A 129 129 ALA CB C 107 24.570 22.503 2.067 1
1 1220 . 8 1 1 A 129 129 ALA N N 107 135.110 129.310 5.800 1
1 1221 . 8 1 1 A 130 130 ALA H H 108 8.650 8.778 -0.128 1
1 1222 . 8 1 1 A 130 130 ALA HA H 108 5.380 5.411 -0.031 1
1 1226 . 8 1 1 A 130 130 ALA C C 108 175.480 176.514 -1.034 1
1 1227 . 8 1 1 A 130 130 ALA CA C 108 50.100 50.674 -0.574 1
1 1228 . 8 1 1 A 130 130 ALA CB C 108 22.770 21.898 0.872 1
1 1229 . 8 1 1 A 130 130 ALA N N 108 121.150 120.915 0.235 1
1 1230 . 8 1 1 A 131 131 ASP H H 109 8.770 8.707 0.063 1
1 1231 . 8 1 1 A 131 131 ASP HA H 109 3.910 4.693 -0.783 1
1 1234 . 8 1 1 A 131 131 ASP CA C 109 51.290 52.249 -0.959 1
1 1235 . 8 1 1 A 131 131 ASP CB C 109 41.350 40.775 0.575 1
1 1236 . 8 1 1 A 131 131 ASP N N 109 123.100 124.489 -1.389 1
1 1237 . 8 1 1 A 132 132 PRO HA H 110 4.140 4.114 0.026 1
1 1242 . 8 1 1 A 132 132 PRO C C 110 176.890 177.393 -0.503 1
1 1243 . 8 1 1 A 132 132 PRO CA C 110 65.730 65.718 0.012 1
1 1244 . 8 1 1 A 132 132 PRO CB C 110 31.850 31.463 0.387 1
1 1246 . 8 1 1 A 133 133 ASP H H 111 8.740 7.431 1.309 1
1 1247 . 8 1 1 A 133 133 ASP HA H 111 4.800 4.579 0.221 1
1 1250 . 8 1 1 A 133 133 ASP C C 111 173.720 174.972 -1.252 1
1 1251 . 8 1 1 A 133 133 ASP CA C 111 54.140 53.435 0.705 1
1 1252 . 8 1 1 A 133 133 ASP CB C 111 42.910 40.853 2.057 1
1 1253 . 8 1 1 A 133 133 ASP N N 111 118.220 116.317 1.903 1
1 1254 . 8 1 1 A 134 134 SER H H 112 8.370 7.718 0.652 1
1 1255 . 8 1 1 A 134 134 SER HA H 112 3.710 4.081 -0.371 1
1 1258 . 8 1 1 A 134 134 SER CA C 112 60.670 59.650 1.020 1
1 1259 . 8 1 1 A 134 134 SER CB C 112 61.430 61.106 0.324 1
1 1260 . 8 1 1 A 134 134 SER N N 112 109.220 112.232 -3.012 1
1 1261 . 8 1 1 A 135 135 HIS H H 113 8.850 7.348 1.502 1
1 1268 . 8 1 1 A 135 135 HIS N N 113 122.820 119.108 3.712 1
1 1269 . 8 1 1 A 136 136 ARG HA H 114 4.680 4.602 0.078 1
1 1270 . 8 1 1 A 136 136 ARG C C 114 175.220 175.350 -0.130 1
1 1271 . 8 1 1 A 136 136 ARG CA C 114 57.560 56.266 1.294 1
1 1272 . 8 1 1 A 137 137 LEU H H 115 8.680 8.948 -0.268 1
1 1273 . 8 1 1 A 137 137 LEU HA H 115 5.490 4.978 0.512 1
1 1282 . 8 1 1 A 137 137 LEU C C 115 174.620 175.375 -0.755 1
1 1283 . 8 1 1 A 137 137 LEU CA C 115 52.580 54.166 -1.586 1
1 1284 . 8 1 1 A 137 137 LEU CB C 115 43.070 41.895 1.175 1
1 1287 . 8 1 1 A 137 137 LEU N N 115 123.990 127.285 -3.295 1
1 1288 . 8 1 1 A 138 138 ARG H H 116 9.510 9.077 0.433 1
1 1289 . 8 1 1 A 138 138 ARG HA H 116 5.120 4.847 0.273 1
1 1292 . 8 1 1 A 138 138 ARG C C 116 175.090 175.091 -0.001 1
1 1293 . 8 1 1 A 138 138 ARG CA C 116 54.700 55.459 -0.759 1
1 1294 . 8 1 1 A 138 138 ARG CB C 116 33.480 31.680 1.800 1
1 1295 . 8 1 1 A 138 138 ARG N N 116 125.370 126.449 -1.079 1
1 1296 . 8 1 1 A 139 139 VAL H H 117 7.970 8.654 -0.684 1
1 1297 . 8 1 1 A 139 139 VAL HA H 117 5.280 5.470 -0.190 1
1 1305 . 8 1 1 A 139 139 VAL C C 117 176.390 174.948 1.442 1
1 1306 . 8 1 1 A 139 139 VAL CA C 117 60.090 61.150 -1.060 1
1 1307 . 8 1 1 A 139 139 VAL CB C 117 32.690 34.969 -2.279 1
1 1310 . 8 1 1 A 139 139 VAL N N 117 128.260 125.781 2.479 1
1 1311 . 8 1 1 A 140 140 TYR H H 118 9.200 8.798 0.402 1
1 1312 . 8 1 1 A 140 140 TYR HA H 118 5.800 5.819 -0.019 1
1 1319 . 8 1 1 A 140 140 TYR C C 118 170.820 172.819 -1.999 1
1 1320 . 8 1 1 A 140 140 TYR CA C 118 56.060 55.323 0.737 1
1 1321 . 8 1 1 A 140 140 TYR CB C 118 42.460 41.900 0.560 1
1 1324 . 8 1 1 A 140 140 TYR N N 118 127.020 123.635 3.385 1
1 1325 . 8 1 1 A 141 141 ALA H H 119 8.330 9.242 -0.912 1
1 1326 . 8 1 1 A 141 141 ALA HA H 119 4.560 5.064 -0.504 1
1 1330 . 8 1 1 A 141 141 ALA C C 119 177.150 175.961 1.189 1
1 1331 . 8 1 1 A 141 141 ALA CA C 119 50.530 50.476 0.054 1
1 1332 . 8 1 1 A 141 141 ALA CB C 119 21.220 21.099 0.121 1
1 1333 . 8 1 1 A 141 141 ALA N N 119 121.160 123.011 -1.851 1
1 1334 . 8 1 1 A 142 142 PHE H H 120 8.780 9.048 -0.268 1
1 1335 . 8 1 1 A 142 142 PHE HA H 120 4.910 5.376 -0.466 1
1 1340 . 8 1 1 A 142 142 PHE C C 120 175.090 174.322 0.768 1
1 1341 . 8 1 1 A 142 142 PHE CA C 120 57.720 57.602 0.118 1
1 1342 . 8 1 1 A 142 142 PHE CB C 120 40.810 39.563 1.247 1
1 1344 . 8 1 1 A 142 142 PHE N N 120 122.630 126.691 -4.061 1
1 1345 . 8 1 1 A 143 143 ALA H H 121 8.190 7.931 0.259 1
1 1346 . 8 1 1 A 143 143 ALA HA H 121 4.330 4.347 -0.017 1
1 1350 . 8 1 1 A 143 143 ALA C C 121 176.260 177.298 -1.038 1
1 1351 . 8 1 1 A 143 143 ALA CA C 121 52.280 52.474 -0.194 1
1 1352 . 8 1 1 A 143 143 ALA CB C 121 19.310 18.289 1.021 1
1 1353 . 8 1 1 A 143 143 ALA N N 121 129.460 129.974 -0.514 1
1 16 . 9 1 1 A 24 24 THR H H 2 8.350 7.323 1.027 1
1 17 . 9 1 1 A 24 24 THR HA H 2 4.470 4.972 -0.502 1
1 22 . 9 1 1 A 24 24 THR CA C 2 61.890 61.528 0.362 1
1 23 . 9 1 1 A 24 24 THR CB C 2 69.630 71.081 -1.451 1
1 25 . 9 1 1 A 24 24 THR N N 2 117.720 111.445 6.275 1
1 26 . 9 1 1 A 25 25 HIS H H 3 8.630 8.828 -0.198 1
1 27 . 9 1 1 A 25 25 HIS HA H 3 5.200 5.059 0.141 1
1 30 . 9 1 1 A 25 25 HIS CA C 3 51.620 53.495 -1.875 1
1 31 . 9 1 1 A 25 25 HIS CB C 3 33.320 33.180 0.140 1
1 32 . 9 1 1 A 25 25 HIS N N 3 124.890 123.341 1.549 1
1 33 . 9 1 1 A 26 26 PRO HA H 4 4.170 4.843 -0.673 1
1 40 . 9 1 1 A 26 26 PRO C C 4 175.740 176.852 -1.112 1
1 41 . 9 1 1 A 26 26 PRO CA C 4 62.740 62.273 0.467 1
1 42 . 9 1 1 A 26 26 PRO CB C 4 31.460 31.155 0.305 1
1 45 . 9 1 1 A 27 27 ASP H H 5 8.270 8.485 -0.215 1
1 46 . 9 1 1 A 27 27 ASP HA H 5 4.810 4.693 0.117 1
1 49 . 9 1 1 A 27 27 ASP C C 5 175.400 175.380 0.020 1
1 50 . 9 1 1 A 27 27 ASP CA C 5 53.310 53.853 -0.543 1
1 51 . 9 1 1 A 27 27 ASP CB C 5 42.390 40.597 1.793 1
1 52 . 9 1 1 A 27 27 ASP N N 5 119.440 120.779 -1.339 1
1 53 . 9 1 1 A 28 28 PHE H H 6 7.280 7.773 -0.493 1
1 54 . 9 1 1 A 28 28 PHE HA H 6 5.440 5.128 0.312 1
1 61 . 9 1 1 A 28 28 PHE C C 6 174.180 173.399 0.781 1
1 62 . 9 1 1 A 28 28 PHE CA C 6 54.590 56.239 -1.649 1
1 63 . 9 1 1 A 28 28 PHE CB C 6 42.310 42.288 0.022 1
1 66 . 9 1 1 A 28 28 PHE N N 6 118.410 120.501 -2.091 1
1 67 . 9 1 1 A 29 29 THR H H 7 8.500 9.019 -0.519 1
1 68 . 9 1 1 A 29 29 THR HA H 7 4.800 4.994 -0.194 1
1 73 . 9 1 1 A 29 29 THR C C 7 172.280 172.890 -0.610 1
1 74 . 9 1 1 A 29 29 THR CA C 7 62.550 59.818 2.732 1
1 75 . 9 1 1 A 29 29 THR CB C 7 70.420 71.282 -0.862 1
1 77 . 9 1 1 A 29 29 THR N N 7 123.070 121.474 1.596 1
1 78 . 9 1 1 A 30 30 ILE H H 8 9.270 8.729 0.541 1
1 79 . 9 1 1 A 30 30 ILE HA H 8 4.680 4.923 -0.243 1
1 89 . 9 1 1 A 30 30 ILE C C 8 173.970 174.694 -0.724 1
1 90 . 9 1 1 A 30 30 ILE CA C 8 59.220 59.559 -0.339 1
1 91 . 9 1 1 A 30 30 ILE CB C 8 40.210 41.547 -1.337 1
1 95 . 9 1 1 A 30 30 ILE N N 8 126.920 127.768 -0.848 1
1 96 . 9 1 1 A 31 31 LEU H H 9 8.760 8.795 -0.035 1
1 97 . 9 1 1 A 31 31 LEU HA H 9 4.330 4.801 -0.471 1
1 107 . 9 1 1 A 31 31 LEU C C 9 176.520 175.971 0.549 1
1 108 . 9 1 1 A 31 31 LEU CA C 9 52.960 53.062 -0.102 1
1 109 . 9 1 1 A 31 31 LEU CB C 9 41.820 44.032 -2.212 1
1 113 . 9 1 1 A 31 31 LEU N N 9 126.000 125.696 0.304 1
1 114 . 9 1 1 A 32 32 TYR H H 10 8.190 8.594 -0.404 1
1 115 . 9 1 1 A 32 32 TYR HA H 10 5.980 5.189 0.791 1
1 118 . 9 1 1 A 32 32 TYR C C 10 177.720 176.158 1.562 1
1 119 . 9 1 1 A 32 32 TYR CA C 10 53.120 58.907 -5.787 1
1 120 . 9 1 1 A 32 32 TYR CB C 10 36.560 38.782 -2.222 1
1 121 . 9 1 1 A 32 32 TYR N N 10 122.130 123.706 -1.576 1
1 122 . 9 1 1 A 33 33 VAL H H 11 8.470 9.014 -0.544 1
1 123 . 9 1 1 A 33 33 VAL HA H 11 4.990 5.051 -0.061 1
1 131 . 9 1 1 A 33 33 VAL C C 11 176.030 175.533 0.497 1
1 132 . 9 1 1 A 33 33 VAL CA C 11 58.240 59.170 -0.930 1
1 133 . 9 1 1 A 33 33 VAL CB C 11 35.090 34.830 0.260 1
1 136 . 9 1 1 A 33 33 VAL N N 11 113.820 119.185 -5.365 1
1 137 . 9 1 1 A 34 34 ASP H H 12 9.750 8.808 0.942 1
1 138 . 9 1 1 A 34 34 ASP HA H 12 4.550 4.844 -0.294 1
1 141 . 9 1 1 A 34 34 ASP C C 12 177.230 175.725 1.505 1
1 142 . 9 1 1 A 34 34 ASP CA C 12 58.000 55.550 2.450 1
1 143 . 9 1 1 A 34 34 ASP CB C 12 42.780 42.103 0.677 1
1 144 . 9 1 1 A 34 34 ASP N N 12 124.140 121.547 2.593 1
1 145 . 9 1 1 A 35 35 ASN H H 13 9.250 7.897 1.353 1
1 146 . 9 1 1 A 35 35 ASN HA H 13 5.120 5.027 0.093 1
1 151 . 9 1 1 A 35 35 ASN CA C 13 50.610 50.087 0.523 1
1 152 . 9 1 1 A 35 35 ASN CB C 13 39.920 38.848 1.072 1
1 153 . 9 1 1 A 35 35 ASN N N 13 114.460 115.829 -1.369 1
1 155 . 9 1 1 A 37 37 PRO HA H 15 4.350 4.269 0.081 1
1 162 . 9 1 1 A 37 37 PRO C C 15 179.310 179.397 -0.087 1
1 163 . 9 1 1 A 37 37 PRO CA C 15 67.480 66.673 0.807 1
1 164 . 9 1 1 A 37 37 PRO CB C 15 31.340 30.806 0.534 1
1 167 . 9 1 1 A 38 38 ALA H H 16 7.740 8.308 -0.568 1
1 168 . 9 1 1 A 38 38 ALA HA H 16 4.310 4.096 0.214 1
1 172 . 9 1 1 A 38 38 ALA C C 16 182.490 180.479 2.011 1
1 173 . 9 1 1 A 38 38 ALA CA C 16 55.160 55.462 -0.302 1
1 174 . 9 1 1 A 38 38 ALA CB C 16 18.360 18.469 -0.109 1
1 175 . 9 1 1 A 38 38 ALA N N 16 121.510 119.240 2.270 1
1 176 . 9 1 1 A 39 39 SER H H 17 8.770 7.795 0.975 1
1 177 . 9 1 1 A 39 39 SER HA H 17 4.190 4.377 -0.187 1
1 180 . 9 1 1 A 39 39 SER C C 17 175.610 176.978 -1.368 1
1 181 . 9 1 1 A 39 39 SER CA C 17 64.260 61.642 2.618 1
1 182 . 9 1 1 A 39 39 SER CB C 17 62.790 63.327 -0.537 1
1 183 . 9 1 1 A 39 39 SER N N 17 117.520 114.058 3.462 1
1 184 . 9 1 1 A 40 40 THR H H 18 9.310 7.903 1.407 1
1 185 . 9 1 1 A 40 40 THR HA H 18 4.480 4.300 0.180 1
1 190 . 9 1 1 A 40 40 THR C C 18 175.590 177.240 -1.650 1
1 191 . 9 1 1 A 40 40 THR CA C 18 68.130 66.833 1.297 1
1 192 . 9 1 1 A 40 40 THR CB C 18 68.480 68.223 0.257 1
1 194 . 9 1 1 A 40 40 THR N N 18 120.600 118.150 2.450 1
1 195 . 9 1 1 A 41 41 GLN H H 19 7.610 8.060 -0.450 1
1 196 . 9 1 1 A 41 41 GLN HA H 19 4.080 4.119 -0.039 1
1 203 . 9 1 1 A 41 41 GLN C C 19 178.110 177.829 0.281 1
1 204 . 9 1 1 A 41 41 GLN CA C 19 59.170 58.703 0.467 1
1 205 . 9 1 1 A 41 41 GLN CB C 19 28.170 28.615 -0.445 1
1 207 . 9 1 1 A 41 41 GLN N N 19 120.130 120.421 -0.291 1
1 209 . 9 1 1 A 42 42 PHE H H 20 7.710 7.782 -0.072 1
1 210 . 9 1 1 A 42 42 PHE HA H 20 4.080 4.177 -0.097 1
1 218 . 9 1 1 A 42 42 PHE C C 20 177.460 176.870 0.590 1
1 219 . 9 1 1 A 42 42 PHE CA C 20 61.760 61.349 0.411 1
1 220 . 9 1 1 A 42 42 PHE CB C 20 38.590 38.994 -0.404 1
1 224 . 9 1 1 A 42 42 PHE N N 20 120.560 122.682 -2.122 1
1 225 . 9 1 1 A 43 43 TYR H H 21 8.890 8.118 0.772 1
1 226 . 9 1 1 A 43 43 TYR HA H 21 3.700 4.212 -0.512 1
1 233 . 9 1 1 A 43 43 TYR C C 21 177.640 178.183 -0.543 1
1 234 . 9 1 1 A 43 43 TYR CA C 21 64.290 61.670 2.620 1
1 235 . 9 1 1 A 43 43 TYR CB C 21 38.110 37.520 0.590 1
1 238 . 9 1 1 A 43 43 TYR N N 21 118.420 118.224 0.196 1
1 239 . 9 1 1 A 44 44 LYS H H 22 8.860 8.017 0.843 1
1 240 . 9 1 1 A 44 44 LYS HA H 22 4.630 3.666 0.964 1
1 249 . 9 1 1 A 44 44 LYS C C 22 179.780 179.006 0.774 1
1 250 . 9 1 1 A 44 44 LYS CA C 22 59.630 59.588 0.042 1
1 251 . 9 1 1 A 44 44 LYS CB C 22 33.210 32.433 0.777 1
1 255 . 9 1 1 A 44 44 LYS N N 22 122.200 120.130 2.070 1
1 256 . 9 1 1 A 45 45 ALA H H 23 7.180 7.471 -0.291 1
1 257 . 9 1 1 A 45 45 ALA HA H 23 4.040 3.997 0.043 1
1 261 . 9 1 1 A 45 45 ALA C C 23 179.130 180.190 -1.060 1
1 262 . 9 1 1 A 45 45 ALA CA C 23 54.350 54.651 -0.301 1
1 263 . 9 1 1 A 45 45 ALA CB C 23 18.030 18.252 -0.222 1
1 264 . 9 1 1 A 45 45 ALA N N 23 120.710 121.704 -0.994 1
1 265 . 9 1 1 A 46 46 LEU H H 24 7.510 7.601 -0.091 1
1 266 . 9 1 1 A 46 46 LEU HA H 24 3.550 3.792 -0.242 1
1 276 . 9 1 1 A 46 46 LEU C C 24 178.680 178.313 0.367 1
1 277 . 9 1 1 A 46 46 LEU CA C 24 57.910 57.337 0.573 1
1 278 . 9 1 1 A 46 46 LEU CB C 24 43.950 41.284 2.666 1
1 282 . 9 1 1 A 46 46 LEU N N 24 118.650 120.160 -1.510 1
1 283 . 9 1 1 A 47 47 LEU H H 25 8.800 7.663 1.137 1
1 284 . 9 1 1 A 47 47 LEU HA H 25 4.480 4.576 -0.096 1
1 294 . 9 1 1 A 47 47 LEU C C 25 178.960 177.536 1.424 1
1 295 . 9 1 1 A 47 47 LEU CA C 25 55.010 55.361 -0.351 1
1 296 . 9 1 1 A 47 47 LEU CB C 25 42.500 42.969 -0.469 1
1 300 . 9 1 1 A 47 47 LEU N N 25 112.540 117.323 -4.783 1
1 301 . 9 1 1 A 48 48 GLY H H 26 7.810 7.979 -0.169 1
1 302 . 9 1 1 A 48 48 GLY HA2 H 26 4.030 3.897 0.133 1
1 303 . 9 1 1 A 48 48 GLY HA3 H 26 3.900 3.928 -0.028 1
1 304 . 9 1 1 A 48 48 GLY C C 26 173.560 174.157 -0.597 1
1 305 . 9 1 1 A 48 48 GLY CA C 26 46.810 46.295 0.515 1
1 306 . 9 1 1 A 48 48 GLY N N 26 107.650 107.377 0.273 1
1 307 . 9 1 1 A 49 49 VAL H H 27 7.100 7.470 -0.370 1
1 308 . 9 1 1 A 49 49 VAL HA H 27 4.700 4.828 -0.128 1
1 316 . 9 1 1 A 49 49 VAL C C 27 172.980 173.933 -0.953 1
1 317 . 9 1 1 A 49 49 VAL CA C 27 58.680 59.065 -0.385 1
1 318 . 9 1 1 A 49 49 VAL CB C 27 36.090 35.933 0.157 1
1 321 . 9 1 1 A 49 49 VAL N N 27 110.770 115.292 -4.522 1
1 322 . 9 1 1 A 50 50 ASP H H 28 8.100 8.884 -0.784 1
1 323 . 9 1 1 A 50 50 ASP HA H 28 4.930 5.242 -0.312 1
1 326 . 9 1 1 A 50 50 ASP CA C 28 52.550 51.032 1.518 1
1 327 . 9 1 1 A 50 50 ASP CB C 28 40.520 43.839 -3.319 1
1 328 . 9 1 1 A 50 50 ASP N N 28 119.760 119.420 0.340 1
1 329 . 9 1 1 A 51 51 PRO HA H 29 3.700 4.868 -1.168 1
1 336 . 9 1 1 A 51 51 PRO C C 29 176.580 177.923 -1.343 1
1 337 . 9 1 1 A 51 51 PRO CA C 29 62.900 63.020 -0.120 1
1 338 . 9 1 1 A 51 51 PRO CB C 29 30.550 32.025 -1.475 1
1 341 . 9 1 1 A 52 52 VAL H H 30 8.340 8.531 -0.191 1
1 342 . 9 1 1 A 52 52 VAL HA H 30 4.080 4.065 0.015 1
1 350 . 9 1 1 A 52 52 VAL C C 30 176.190 175.576 0.614 1
1 351 . 9 1 1 A 52 52 VAL CA C 30 62.790 64.029 -1.239 1
1 352 . 9 1 1 A 52 52 VAL CB C 30 32.280 32.540 -0.260 1
1 355 . 9 1 1 A 52 52 VAL N N 30 117.320 123.097 -5.777 1
1 356 . 9 1 1 A 53 53 GLU H H 31 7.170 7.630 -0.460 1
1 357 . 9 1 1 A 53 53 GLU HA H 31 4.580 4.905 -0.325 1
1 362 . 9 1 1 A 53 53 GLU C C 31 174.940 175.386 -0.446 1
1 363 . 9 1 1 A 53 53 GLU CA C 31 55.330 55.040 0.290 1
1 364 . 9 1 1 A 53 53 GLU CB C 31 33.370 32.800 0.570 1
1 366 . 9 1 1 A 53 53 GLU N N 31 118.180 119.944 -1.764 1
1 367 . 9 1 1 A 54 54 SER H H 32 8.650 8.807 -0.157 1
1 368 . 9 1 1 A 54 54 SER HA H 32 5.130 5.338 -0.208 1
1 371 . 9 1 1 A 54 54 SER C C 32 171.990 173.183 -1.193 1
1 372 . 9 1 1 A 54 54 SER CA C 32 57.940 57.004 0.936 1
1 373 . 9 1 1 A 54 54 SER CB C 32 64.720 65.861 -1.141 1
1 374 . 9 1 1 A 54 54 SER N N 32 117.210 118.050 -0.840 1
1 375 . 9 1 1 A 55 55 SER H H 33 8.760 8.813 -0.053 1
1 376 . 9 1 1 A 55 55 SER N N 33 124.420 119.122 5.298 1
1 377 . 9 1 1 A 56 56 PRO HA H 34 4.320 4.437 -0.117 1
1 382 . 9 1 1 A 56 56 PRO C C 34 177.290 177.105 0.185 1
1 383 . 9 1 1 A 56 56 PRO CA C 34 65.750 64.882 0.868 1
1 384 . 9 1 1 A 56 56 PRO CB C 34 32.490 31.914 0.576 1
1 386 . 9 1 1 A 57 57 THR H H 35 7.810 8.130 -0.320 1
1 387 . 9 1 1 A 57 57 THR HA H 35 4.630 4.750 -0.120 1
1 392 . 9 1 1 A 57 57 THR C C 35 174.080 173.646 0.434 1
1 393 . 9 1 1 A 57 57 THR CA C 35 61.860 61.314 0.546 1
1 394 . 9 1 1 A 57 57 THR CB C 35 70.940 69.937 1.003 1
1 396 . 9 1 1 A 57 57 THR N N 35 101.710 110.367 -8.657 1
1 397 . 9 1 1 A 58 58 PHE H H 36 7.670 7.243 0.427 1
1 398 . 9 1 1 A 58 58 PHE HA H 36 5.780 4.800 0.980 1
1 405 . 9 1 1 A 58 58 PHE CA C 36 57.820 58.043 -0.223 1
1 406 . 9 1 1 A 58 58 PHE CB C 36 43.010 42.286 0.724 1
1 409 . 9 1 1 A 58 58 PHE N N 36 124.370 120.789 3.581 1
1 410 . 9 1 1 A 59 59 SER H H 37 8.070 7.862 0.208 1
1 411 . 9 1 1 A 59 59 SER HA H 37 4.890 5.029 -0.139 1
1 414 . 9 1 1 A 59 59 SER C C 37 170.010 171.885 -1.875 1
1 415 . 9 1 1 A 59 59 SER CA C 37 56.660 56.336 0.324 1
1 416 . 9 1 1 A 59 59 SER CB C 37 67.490 65.438 2.052 1
1 417 . 9 1 1 A 59 59 SER N N 37 122.930 120.472 2.458 1
1 418 . 9 1 1 A 60 60 LEU H H 38 8.140 8.276 -0.136 1
1 419 . 9 1 1 A 60 60 LEU HA H 38 4.810 4.357 0.453 1
1 429 . 9 1 1 A 60 60 LEU C C 38 174.000 174.268 -0.268 1
1 430 . 9 1 1 A 60 60 LEU CA C 38 53.750 54.356 -0.606 1
1 431 . 9 1 1 A 60 60 LEU CB C 38 47.250 45.516 1.734 1
1 435 . 9 1 1 A 60 60 LEU N N 38 122.030 124.449 -2.419 1
1 436 . 9 1 1 A 61 61 PHE H H 39 9.460 8.134 1.326 1
1 437 . 9 1 1 A 61 61 PHE HA H 39 4.580 5.844 -1.264 1
1 444 . 9 1 1 A 61 61 PHE C C 39 174.390 173.707 0.683 1
1 445 . 9 1 1 A 61 61 PHE CA C 39 57.180 54.976 2.204 1
1 446 . 9 1 1 A 61 61 PHE CB C 39 41.570 42.635 -1.065 1
1 449 . 9 1 1 A 61 61 PHE N N 39 124.820 122.972 1.848 1
1 450 . 9 1 1 A 62 62 VAL H H 40 8.640 9.144 -0.504 1
1 451 . 9 1 1 A 62 62 VAL HA H 40 4.260 4.676 -0.416 1
1 459 . 9 1 1 A 62 62 VAL C C 40 175.380 175.207 0.173 1
1 460 . 9 1 1 A 62 62 VAL CA C 40 62.520 61.033 1.487 1
1 461 . 9 1 1 A 62 62 VAL CB C 40 32.470 34.266 -1.796 1
1 464 . 9 1 1 A 62 62 VAL N N 40 122.650 122.828 -0.178 1
1 465 . 9 1 1 A 63 63 LEU H H 41 8.710 8.553 0.157 1
1 466 . 9 1 1 A 63 63 LEU HA H 41 4.590 4.655 -0.065 1
1 476 . 9 1 1 A 63 63 LEU CA C 41 53.560 53.814 -0.254 1
1 477 . 9 1 1 A 63 63 LEU CB C 41 41.600 42.372 -0.772 1
1 481 . 9 1 1 A 63 63 LEU N N 41 126.170 127.840 -1.670 1
1 482 . 9 1 1 A 64 64 ALA HA H 42 4.040 4.034 0.006 1
1 486 . 9 1 1 A 64 64 ALA CA C 42 55.050 54.622 0.428 1
1 487 . 9 1 1 A 64 64 ALA CB C 42 18.580 18.518 0.062 1
1 488 . 9 1 1 A 65 65 ASN H H 43 7.680 7.907 -0.227 1
1 489 . 9 1 1 A 65 65 ASN HA H 43 4.520 4.682 -0.162 1
1 494 . 9 1 1 A 65 65 ASN C C 43 175.860 175.649 0.211 1
1 495 . 9 1 1 A 65 65 ASN CA C 43 52.530 53.406 -0.876 1
1 496 . 9 1 1 A 65 65 ASN CB C 43 37.800 38.744 -0.944 1
1 497 . 9 1 1 A 65 65 ASN N N 43 112.130 114.881 -2.751 1
1 499 . 9 1 1 A 66 66 GLY H H 44 8.070 7.831 0.239 1
1 500 . 9 1 1 A 66 66 GLY HA2 H 44 4.330 3.915 0.415 1
1 501 . 9 1 1 A 66 66 GLY HA3 H 44 3.480 3.916 -0.436 1
1 502 . 9 1 1 A 66 66 GLY C C 44 174.260 174.337 -0.077 1
1 503 . 9 1 1 A 66 66 GLY CA C 44 44.930 44.888 0.042 1
1 504 . 9 1 1 A 66 66 GLY N N 44 107.650 106.110 1.540 1
1 505 . 9 1 1 A 67 67 MET H H 45 7.900 7.815 0.085 1
1 506 . 9 1 1 A 67 67 MET HA H 45 4.420 4.680 -0.260 1
1 514 . 9 1 1 A 67 67 MET CA C 45 55.520 54.410 1.110 1
1 515 . 9 1 1 A 67 67 MET CB C 45 33.630 34.583 -0.953 1
1 518 . 9 1 1 A 67 67 MET N N 45 121.850 119.779 2.071 1
1 519 . 9 1 1 A 68 68 LYS HA H 46 5.040 5.176 -0.136 1
1 528 . 9 1 1 A 68 68 LYS C C 46 174.600 174.270 0.330 1
1 529 . 9 1 1 A 68 68 LYS CA C 46 55.410 55.049 0.361 1
1 530 . 9 1 1 A 68 68 LYS CB C 46 34.460 35.907 -1.447 1
1 534 . 9 1 1 A 69 69 LEU H H 47 8.830 8.612 0.218 1
1 535 . 9 1 1 A 69 69 LEU HA H 47 5.450 5.463 -0.013 1
1 545 . 9 1 1 A 69 69 LEU C C 47 174.880 174.974 -0.094 1
1 546 . 9 1 1 A 69 69 LEU CA C 47 52.980 53.635 -0.655 1
1 547 . 9 1 1 A 69 69 LEU CB C 47 46.560 45.411 1.149 1
1 551 . 9 1 1 A 69 69 LEU N N 47 124.960 127.220 -2.260 1
1 552 . 9 1 1 A 70 70 GLY H H 48 9.580 9.161 0.419 1
1 553 . 9 1 1 A 70 70 GLY HA2 H 48 5.220 3.833 1.387 1
1 554 . 9 1 1 A 70 70 GLY HA3 H 48 3.090 4.148 -1.058 1
1 555 . 9 1 1 A 70 70 GLY C C 48 170.590 171.935 -1.345 1
1 556 . 9 1 1 A 70 70 GLY CA C 48 43.370 43.843 -0.473 1
1 557 . 9 1 1 A 70 70 GLY N N 48 113.940 113.838 0.102 1
1 558 . 9 1 1 A 71 71 LEU H H 49 8.250 8.059 0.191 1
1 559 . 9 1 1 A 71 71 LEU HA H 49 5.150 5.032 0.118 1
1 569 . 9 1 1 A 71 71 LEU C C 49 173.920 174.487 -0.567 1
1 570 . 9 1 1 A 71 71 LEU CA C 49 52.770 53.302 -0.532 1
1 571 . 9 1 1 A 71 71 LEU CB C 49 43.100 44.627 -1.527 1
1 575 . 9 1 1 A 71 71 LEU N N 49 122.270 120.956 1.314 1
1 576 . 9 1 1 A 72 72 TRP H H 50 8.960 8.781 0.179 1
1 577 . 9 1 1 A 72 72 TRP HA H 50 5.860 5.634 0.226 1
1 584 . 9 1 1 A 72 72 TRP C C 50 175.740 175.250 0.490 1
1 585 . 9 1 1 A 72 72 TRP CA C 50 53.170 55.467 -2.297 1
1 586 . 9 1 1 A 72 72 TRP CB C 50 34.990 32.333 2.657 1
1 590 . 9 1 1 A 72 72 TRP N N 50 125.010 128.418 -3.408 1
1 592 . 9 1 1 A 73 73 SER H H 51 9.010 9.210 -0.200 1
1 593 . 9 1 1 A 73 73 SER HA H 51 4.570 5.104 -0.534 1
1 596 . 9 1 1 A 73 73 SER C C 51 176.240 175.471 0.769 1
1 597 . 9 1 1 A 73 73 SER CA C 51 58.490 59.338 -0.848 1
1 598 . 9 1 1 A 73 73 SER CB C 51 63.770 63.050 0.720 1
1 599 . 9 1 1 A 73 73 SER N N 51 120.380 124.744 -4.364 1
1 600 . 9 1 1 A 74 74 ARG H H 52 9.420 8.851 0.569 1
1 601 . 9 1 1 A 74 74 ARG HA H 52 3.460 3.968 -0.508 1
1 608 . 9 1 1 A 74 74 ARG C C 52 175.610 176.976 -1.366 1
1 609 . 9 1 1 A 74 74 ARG CA C 52 57.590 57.961 -0.371 1
1 610 . 9 1 1 A 74 74 ARG CB C 52 28.900 29.303 -0.403 1
1 613 . 9 1 1 A 74 74 ARG N N 52 128.770 126.078 2.692 1
1 614 . 9 1 1 A 75 75 HIS H H 53 7.910 8.032 -0.122 1
1 615 . 9 1 1 A 75 75 HIS HA H 53 4.310 4.493 -0.183 1
1 619 . 9 1 1 A 75 75 HIS C C 53 176.610 175.204 1.406 1
1 620 . 9 1 1 A 75 75 HIS CA C 53 57.190 57.412 -0.222 1
1 621 . 9 1 1 A 75 75 HIS CB C 53 31.260 29.301 1.959 1
1 623 . 9 1 1 A 75 75 HIS N N 53 117.320 116.294 1.026 1
1 624 . 9 1 1 A 76 76 THR H H 54 7.360 7.180 0.180 1
1 625 . 9 1 1 A 76 76 THR HA H 54 4.540 4.496 0.044 1
1 630 . 9 1 1 A 76 76 THR C C 54 175.120 172.095 3.025 1
1 631 . 9 1 1 A 76 76 THR CA C 54 61.840 61.331 0.509 1
1 632 . 9 1 1 A 76 76 THR CB C 54 69.680 69.028 0.652 1
1 634 . 9 1 1 A 76 76 THR N N 54 107.350 114.144 -6.794 1
1 635 . 9 1 1 A 77 77 VAL H H 55 6.630 8.943 -2.313 1
1 636 . 9 1 1 A 77 77 VAL HA H 55 2.700 5.361 -2.661 1
1 644 . 9 1 1 A 77 77 VAL C C 55 173.920 173.382 0.538 1
1 645 . 9 1 1 A 77 77 VAL CA C 55 63.500 59.540 3.960 1
1 646 . 9 1 1 A 77 77 VAL CB C 55 31.270 34.756 -3.486 1
1 649 . 9 1 1 A 77 77 VAL N N 55 123.760 127.801 -4.041 1
1 650 . 9 1 1 A 78 78 GLU H H 56 6.010 8.623 -2.613 1
1 651 . 9 1 1 A 78 78 GLU HA H 56 4.160 4.775 -0.615 1
1 656 . 9 1 1 A 78 78 GLU CA C 56 53.120 52.287 0.833 1
1 657 . 9 1 1 A 78 78 GLU CB C 56 32.240 30.699 1.541 1
1 659 . 9 1 1 A 78 78 GLU N N 56 124.820 127.168 -2.348 1
1 660 . 9 1 1 A 79 79 PRO HA H 57 4.620 4.610 0.010 1
1 667 . 9 1 1 A 79 79 PRO C C 57 176.190 176.545 -0.355 1
1 668 . 9 1 1 A 79 79 PRO CA C 57 61.890 62.412 -0.522 1
1 669 . 9 1 1 A 79 79 PRO CB C 57 33.620 32.136 1.484 1
1 672 . 9 1 1 A 80 80 LYS H H 58 8.340 8.194 0.146 1
1 673 . 9 1 1 A 80 80 LYS HA H 58 3.880 4.068 -0.188 1
1 682 . 9 1 1 A 80 80 LYS C C 58 177.100 176.281 0.819 1
1 683 . 9 1 1 A 80 80 LYS CA C 58 57.610 56.687 0.923 1
1 684 . 9 1 1 A 80 80 LYS CB C 58 32.400 31.903 0.497 1
1 688 . 9 1 1 A 80 80 LYS N N 58 121.510 121.486 0.024 1
1 689 . 9 1 1 A 81 81 ALA H H 59 8.430 8.353 0.077 1
1 690 . 9 1 1 A 81 81 ALA HA H 59 4.870 4.862 0.008 1
1 694 . 9 1 1 A 81 81 ALA C C 59 177.460 175.720 1.740 1
1 695 . 9 1 1 A 81 81 ALA CA C 59 51.020 51.196 -0.176 1
1 696 . 9 1 1 A 81 81 ALA CB C 59 22.910 20.407 2.503 1
1 697 . 9 1 1 A 81 81 ALA N N 59 129.030 126.859 2.171 1
1 698 . 9 1 1 A 82 82 SER H H 60 9.680 8.858 0.822 1
1 699 . 9 1 1 A 82 82 SER HA H 60 4.510 5.169 -0.659 1
1 702 . 9 1 1 A 82 82 SER C C 60 172.960 173.074 -0.114 1
1 703 . 9 1 1 A 82 82 SER CA C 60 58.350 56.858 1.492 1
1 704 . 9 1 1 A 82 82 SER CB C 60 65.150 64.064 1.086 1
1 705 . 9 1 1 A 82 82 SER N N 60 115.930 118.717 -2.787 1
1 706 . 9 1 1 A 83 83 VAL H H 61 7.450 8.286 -0.836 1
1 707 . 9 1 1 A 83 83 VAL HA H 61 4.260 4.715 -0.455 1
1 715 . 9 1 1 A 83 83 VAL CA C 61 60.940 60.636 0.304 1
1 716 . 9 1 1 A 83 83 VAL CB C 61 35.360 34.436 0.924 1
1 719 . 9 1 1 A 83 83 VAL N N 61 121.550 124.771 -3.221 1
1 720 . 9 1 1 A 84 84 THR H H 62 7.850 8.924 -1.074 1
1 721 . 9 1 1 A 84 84 THR HA H 62 4.750 5.090 -0.340 1
1 726 . 9 1 1 A 84 84 THR C C 62 174.040 173.264 0.776 1
1 727 . 9 1 1 A 84 84 THR CA C 62 59.370 59.892 -0.522 1
1 728 . 9 1 1 A 84 84 THR CB C 62 68.800 71.758 -2.958 1
1 730 . 9 1 1 A 84 84 THR N N 62 111.040 118.343 -7.303 1
1 731 . 9 1 1 A 85 85 GLY H H 63 7.950 8.362 -0.412 1
1 732 . 9 1 1 A 85 85 GLY HA2 H 63 3.480 4.013 -0.533 1
1 733 . 9 1 1 A 85 85 GLY HA3 H 63 2.950 4.015 -1.065 1
1 734 . 9 1 1 A 85 85 GLY C C 63 174.140 173.986 0.154 1
1 735 . 9 1 1 A 85 85 GLY CA C 63 45.490 45.447 0.043 1
1 736 . 9 1 1 A 85 85 GLY N N 63 109.700 108.434 1.266 1
1 737 . 9 1 1 A 86 86 GLY H H 64 8.530 7.856 0.674 1
1 738 . 9 1 1 A 86 86 GLY HA2 H 64 4.550 4.145 0.405 1
1 739 . 9 1 1 A 86 86 GLY HA3 H 64 3.700 4.156 -0.456 1
1 740 . 9 1 1 A 86 86 GLY C C 64 174.700 173.253 1.447 1
1 741 . 9 1 1 A 86 86 GLY CA C 64 45.600 45.334 0.266 1
1 742 . 9 1 1 A 86 86 GLY N N 64 107.420 107.405 0.015 1
1 743 . 9 1 1 A 87 87 GLY H H 65 9.280 8.631 0.649 1
1 744 . 9 1 1 A 87 87 GLY HA2 H 65 4.860 4.181 0.679 1
1 745 . 9 1 1 A 87 87 GLY HA3 H 65 4.160 4.189 -0.029 1
1 746 . 9 1 1 A 87 87 GLY C C 65 172.640 174.756 -2.116 1
1 747 . 9 1 1 A 87 87 GLY CA C 65 45.630 44.493 1.137 1
1 748 . 9 1 1 A 87 87 GLY N N 65 111.380 109.100 2.280 1
1 749 . 9 1 1 A 88 88 GLY H H 66 6.610 8.541 -1.931 1
1 750 . 9 1 1 A 88 88 GLY HA2 H 66 4.020 3.902 0.118 1
1 751 . 9 1 1 A 88 88 GLY HA3 H 66 2.360 3.919 -1.559 1
1 752 . 9 1 1 A 88 88 GLY C C 66 172.250 173.863 -1.613 1
1 753 . 9 1 1 A 88 88 GLY CA C 66 43.910 46.623 -2.713 1
1 754 . 9 1 1 A 88 88 GLY N N 66 105.700 111.502 -5.802 1
1 755 . 9 1 1 A 89 89 GLU H H 67 9.230 8.199 1.031 1
1 756 . 9 1 1 A 89 89 GLU HA H 67 5.100 5.031 0.069 1
1 761 . 9 1 1 A 89 89 GLU C C 67 175.770 174.997 0.773 1
1 762 . 9 1 1 A 89 89 GLU CA C 67 54.540 55.126 -0.586 1
1 763 . 9 1 1 A 89 89 GLU CB C 67 34.710 31.920 2.790 1
1 765 . 9 1 1 A 89 89 GLU N N 67 117.210 118.817 -1.607 1
1 766 . 9 1 1 A 90 90 LEU H H 68 8.470 9.041 -0.571 1
1 767 . 9 1 1 A 90 90 LEU HA H 68 5.050 4.972 0.078 1
1 777 . 9 1 1 A 90 90 LEU C C 68 175.460 174.967 0.493 1
1 778 . 9 1 1 A 90 90 LEU CA C 68 54.160 53.848 0.312 1
1 779 . 9 1 1 A 90 90 LEU CB C 68 44.250 44.449 -0.199 1
1 783 . 9 1 1 A 90 90 LEU N N 68 120.420 123.764 -3.344 1
1 784 . 9 1 1 A 91 91 ALA H H 69 8.880 8.811 0.069 1
1 785 . 9 1 1 A 91 91 ALA HA H 69 5.990 5.170 0.820 1
1 789 . 9 1 1 A 91 91 ALA C C 69 175.300 176.585 -1.285 1
1 790 . 9 1 1 A 91 91 ALA CA C 69 50.340 50.890 -0.550 1
1 791 . 9 1 1 A 91 91 ALA CB C 69 21.140 19.836 1.304 1
1 792 . 9 1 1 A 91 91 ALA N N 69 124.720 130.604 -5.884 1
1 793 . 9 1 1 A 92 92 PHE H H 70 10.090 9.775 0.315 1
1 794 . 9 1 1 A 92 92 PHE HA H 70 4.700 5.076 -0.376 1
1 802 . 9 1 1 A 92 92 PHE CA C 70 56.580 57.799 -1.219 1
1 803 . 9 1 1 A 92 92 PHE CB C 70 40.490 39.735 0.755 1
1 807 . 9 1 1 A 92 92 PHE N N 70 122.920 124.341 -1.421 1
1 808 . 9 1 1 A 93 93 ARG H H 71 9.030 9.040 -0.010 1
1 809 . 9 1 1 A 93 93 ARG HA H 71 4.460 4.546 -0.086 1
1 816 . 9 1 1 A 93 93 ARG C C 71 176.910 175.889 1.021 1
1 817 . 9 1 1 A 93 93 ARG CA C 71 55.080 55.833 -0.753 1
1 818 . 9 1 1 A 93 93 ARG CB C 71 31.950 31.636 0.314 1
1 821 . 9 1 1 A 93 93 ARG N N 71 125.390 124.474 0.916 1
1 822 . 9 1 1 A 94 94 VAL H H 72 8.470 8.347 0.123 1
1 823 . 9 1 1 A 94 94 VAL HA H 72 4.820 4.676 0.144 1
1 831 . 9 1 1 A 94 94 VAL C C 72 176.320 176.178 0.142 1
1 832 . 9 1 1 A 94 94 VAL CA C 72 59.190 58.906 0.284 1
1 833 . 9 1 1 A 94 94 VAL CB C 72 32.550 34.605 -2.055 1
1 836 . 9 1 1 A 94 94 VAL N N 72 119.430 119.803 -0.373 1
1 837 . 9 1 1 A 95 95 GLU H H 73 8.160 8.869 -0.709 1
1 838 . 9 1 1 A 95 95 GLU HA H 73 3.940 4.175 -0.235 1
1 843 . 9 1 1 A 95 95 GLU C C 73 176.560 176.459 0.101 1
1 844 . 9 1 1 A 95 95 GLU CA C 73 59.620 58.693 0.927 1
1 845 . 9 1 1 A 95 95 GLU CB C 73 31.400 29.640 1.760 1
1 847 . 9 1 1 A 95 95 GLU N N 73 116.510 120.460 -3.950 1
1 848 . 9 1 1 A 96 96 ASN H H 74 7.240 7.798 -0.558 1
1 849 . 9 1 1 A 96 96 ASN HA H 74 4.780 5.005 -0.225 1
1 854 . 9 1 1 A 96 96 ASN C C 74 174.960 174.704 0.256 1
1 855 . 9 1 1 A 96 96 ASN CA C 74 51.570 52.602 -1.032 1
1 856 . 9 1 1 A 96 96 ASN CB C 74 40.130 39.391 0.739 1
1 857 . 9 1 1 A 96 96 ASN N N 74 108.930 114.080 -5.150 1
1 859 . 9 1 1 A 97 97 ASP H H 75 8.330 9.070 -0.740 1
1 860 . 9 1 1 A 97 97 ASP HA H 75 4.190 4.497 -0.307 1
1 863 . 9 1 1 A 97 97 ASP C C 75 177.800 178.403 -0.603 1
1 864 . 9 1 1 A 97 97 ASP CA C 75 57.780 56.859 0.921 1
1 865 . 9 1 1 A 97 97 ASP CB C 75 39.230 39.491 -0.261 1
1 866 . 9 1 1 A 97 97 ASP N N 75 120.390 118.331 2.059 1
1 867 . 9 1 1 A 98 98 ALA H H 76 8.090 8.102 -0.012 1
1 868 . 9 1 1 A 98 98 ALA HA H 76 4.210 3.971 0.239 1
1 872 . 9 1 1 A 98 98 ALA C C 76 181.130 180.197 0.933 1
1 873 . 9 1 1 A 98 98 ALA CA C 76 55.160 55.395 -0.235 1
1 874 . 9 1 1 A 98 98 ALA CB C 76 17.440 18.279 -0.839 1
1 875 . 9 1 1 A 98 98 ALA N N 76 122.660 122.052 0.608 1
1 876 . 9 1 1 A 99 99 GLN H H 77 8.110 7.826 0.284 1
1 877 . 9 1 1 A 99 99 GLN HA H 77 4.170 4.066 0.104 1
1 884 . 9 1 1 A 99 99 GLN C C 77 180.190 178.554 1.636 1
1 885 . 9 1 1 A 99 99 GLN CA C 77 58.680 58.363 0.317 1
1 886 . 9 1 1 A 99 99 GLN CB C 77 28.590 28.645 -0.055 1
1 888 . 9 1 1 A 99 99 GLN N N 77 116.870 117.871 -1.001 1
1 890 . 9 1 1 A 100 100 VAL H H 78 7.860 8.064 -0.204 1
1 891 . 9 1 1 A 100 100 VAL HA H 78 3.400 3.557 -0.157 1
1 899 . 9 1 1 A 100 100 VAL C C 78 177.510 177.980 -0.470 1
1 900 . 9 1 1 A 100 100 VAL CA C 78 67.800 66.362 1.438 1
1 901 . 9 1 1 A 100 100 VAL CB C 78 30.810 31.830 -1.020 1
1 904 . 9 1 1 A 100 100 VAL N N 78 125.200 120.971 4.229 1
1 905 . 9 1 1 A 101 101 ASP H H 79 7.810 8.035 -0.225 1
1 906 . 9 1 1 A 101 101 ASP HA H 79 4.420 4.165 0.255 1
1 909 . 9 1 1 A 101 101 ASP C C 79 175.010 178.543 -3.533 1
1 910 . 9 1 1 A 101 101 ASP CA C 79 58.490 57.300 1.190 1
1 911 . 9 1 1 A 101 101 ASP CB C 79 40.400 40.820 -0.420 1
1 912 . 9 1 1 A 101 101 ASP N N 79 119.560 120.378 -0.818 1
1 913 . 9 1 1 A 102 102 GLU H H 80 8.620 8.011 0.609 1
1 914 . 9 1 1 A 102 102 GLU HA H 80 4.080 4.043 0.037 1
1 919 . 9 1 1 A 102 102 GLU C C 80 179.540 179.576 -0.036 1
1 920 . 9 1 1 A 102 102 GLU CA C 80 59.470 59.326 0.144 1
1 921 . 9 1 1 A 102 102 GLU CB C 80 30.210 29.317 0.893 1
1 923 . 9 1 1 A 102 102 GLU N N 80 121.400 118.876 2.524 1
1 924 . 9 1 1 A 103 103 THR H H 81 8.120 7.706 0.414 1
1 925 . 9 1 1 A 103 103 THR HA H 81 3.660 3.766 -0.106 1
1 930 . 9 1 1 A 103 103 THR C C 81 174.440 176.022 -1.582 1
1 931 . 9 1 1 A 103 103 THR CA C 81 66.990 65.998 0.992 1
1 932 . 9 1 1 A 103 103 THR CB C 81 68.070 68.064 0.006 1
1 934 . 9 1 1 A 103 103 THR N N 81 118.770 118.492 0.278 1
1 935 . 9 1 1 A 104 104 PHE H H 82 8.340 7.930 0.410 1
1 936 . 9 1 1 A 104 104 PHE HA H 82 3.030 3.670 -0.640 1
1 943 . 9 1 1 A 104 104 PHE C C 82 176.050 176.326 -0.276 1
1 944 . 9 1 1 A 104 104 PHE CA C 82 61.480 62.083 -0.603 1
1 945 . 9 1 1 A 104 104 PHE CB C 82 38.550 38.506 0.044 1
1 948 . 9 1 1 A 104 104 PHE N N 82 122.350 121.599 0.751 1
1 949 . 9 1 1 A 105 105 ALA H H 83 7.780 8.372 -0.592 1
1 950 . 9 1 1 A 105 105 ALA HA H 83 3.680 3.986 -0.306 1
1 954 . 9 1 1 A 105 105 ALA C C 83 181.410 179.912 1.498 1
1 955 . 9 1 1 A 105 105 ALA CA C 83 54.880 55.003 -0.123 1
1 956 . 9 1 1 A 105 105 ALA CB C 83 18.080 18.108 -0.028 1
1 957 . 9 1 1 A 105 105 ALA N N 83 118.740 121.108 -2.368 1
1 958 . 9 1 1 A 106 106 GLY H H 84 8.120 7.991 0.129 1
1 959 . 9 1 1 A 106 106 GLY HA2 H 84 3.910 3.577 0.333 1
1 960 . 9 1 1 A 106 106 GLY HA3 H 84 3.810 3.596 0.214 1
1 961 . 9 1 1 A 106 106 GLY C C 84 176.780 177.379 -0.599 1
1 962 . 9 1 1 A 106 106 GLY CA C 84 46.910 46.984 -0.074 1
1 963 . 9 1 1 A 106 106 GLY N N 84 107.090 106.251 0.839 1
1 964 . 9 1 1 A 107 107 TRP H H 85 9.240 7.749 1.491 1
1 965 . 9 1 1 A 107 107 TRP HA H 85 4.440 4.560 -0.120 1
1 972 . 9 1 1 A 107 107 TRP C C 85 179.210 178.371 0.839 1
1 973 . 9 1 1 A 107 107 TRP CA C 85 59.190 60.500 -1.310 1
1 974 . 9 1 1 A 107 107 TRP CB C 85 28.450 28.826 -0.376 1
1 978 . 9 1 1 A 107 107 TRP N N 85 124.820 121.891 2.929 1
1 980 . 9 1 1 A 108 108 LYS H H 86 8.610 8.267 0.343 1
1 981 . 9 1 1 A 108 108 LYS HA H 86 3.920 3.856 0.064 1
1 990 . 9 1 1 A 108 108 LYS C C 86 180.980 178.719 2.261 1
1 991 . 9 1 1 A 108 108 LYS CA C 86 60.040 59.346 0.694 1
1 992 . 9 1 1 A 108 108 LYS CB C 86 31.850 32.266 -0.416 1
1 996 . 9 1 1 A 108 108 LYS N N 86 121.490 120.843 0.647 1
1 997 . 9 1 1 A 109 109 ALA H H 87 7.890 7.897 -0.007 1
1 998 . 9 1 1 A 109 109 ALA HA H 87 4.150 4.135 0.015 1
1 1002 . 9 1 1 A 109 109 ALA C C 87 179.050 179.002 0.048 1
1 1003 . 9 1 1 A 109 109 ALA CA C 87 54.670 54.562 0.108 1
1 1004 . 9 1 1 A 109 109 ALA CB C 87 18.010 18.163 -0.153 1
1 1005 . 9 1 1 A 109 109 ALA N N 87 121.920 121.151 0.769 1
1 1006 . 9 1 1 A 110 110 SER H H 88 7.510 7.445 0.065 1
1 1007 . 9 1 1 A 110 110 SER HA H 88 4.450 4.536 -0.086 1
1 1010 . 9 1 1 A 110 110 SER C C 88 174.140 174.734 -0.594 1
1 1011 . 9 1 1 A 110 110 SER CA C 88 58.750 58.448 0.302 1
1 1012 . 9 1 1 A 110 110 SER CB C 88 63.950 64.063 -0.113 1
1 1013 . 9 1 1 A 110 110 SER N N 88 112.390 111.477 0.913 1
1 1014 . 9 1 1 A 111 111 GLY H H 89 7.790 7.945 -0.155 1
1 1015 . 9 1 1 A 111 111 GLY HA2 H 89 4.180 3.984 0.196 1
1 1016 . 9 1 1 A 111 111 GLY HA3 H 89 3.700 3.992 -0.292 1
1 1017 . 9 1 1 A 111 111 GLY C C 89 174.520 174.568 -0.048 1
1 1018 . 9 1 1 A 111 111 GLY CA C 89 45.530 46.575 -1.045 1
1 1019 . 9 1 1 A 111 111 GLY N N 89 108.220 109.430 -1.210 1
1 1020 . 9 1 1 A 112 112 VAL H H 90 7.660 7.570 0.090 1
1 1021 . 9 1 1 A 112 112 VAL HA H 90 3.830 4.371 -0.541 1
1 1029 . 9 1 1 A 112 112 VAL C C 90 175.430 176.232 -0.802 1
1 1030 . 9 1 1 A 112 112 VAL CA C 90 63.880 61.270 2.610 1
1 1031 . 9 1 1 A 112 112 VAL CB C 90 32.040 33.456 -1.416 1
1 1034 . 9 1 1 A 112 112 VAL N N 90 122.880 120.028 2.852 1
1 1035 . 9 1 1 A 113 113 ALA H H 91 8.720 8.514 0.206 1
1 1036 . 9 1 1 A 113 113 ALA HA H 91 4.210 4.022 0.188 1
1 1040 . 9 1 1 A 113 113 ALA C C 91 176.290 177.728 -1.438 1
1 1041 . 9 1 1 A 113 113 ALA CA C 91 52.900 55.516 -2.616 1
1 1042 . 9 1 1 A 113 113 ALA CB C 91 19.290 18.554 0.736 1
1 1043 . 9 1 1 A 113 113 ALA N N 91 132.080 127.657 4.423 1
1 1044 . 9 1 1 A 114 114 MET H H 92 8.260 8.101 0.159 1
1 1045 . 9 1 1 A 114 114 MET HA H 92 5.330 4.206 1.124 1
1 1051 . 9 1 1 A 114 114 MET C C 92 176.780 176.289 0.491 1
1 1052 . 9 1 1 A 114 114 MET CA C 92 53.390 56.267 -2.877 1
1 1053 . 9 1 1 A 114 114 MET CB C 92 33.450 31.161 2.289 1
1 1055 . 9 1 1 A 114 114 MET N N 92 116.930 116.550 0.380 1
1 1056 . 9 1 1 A 115 115 LEU H H 93 8.990 8.203 0.787 1
1 1057 . 9 1 1 A 115 115 LEU HA H 93 4.550 4.985 -0.435 1
1 1067 . 9 1 1 A 115 115 LEU C C 93 176.630 175.646 0.984 1
1 1068 . 9 1 1 A 115 115 LEU CA C 93 55.140 53.698 1.442 1
1 1069 . 9 1 1 A 115 115 LEU CB C 93 44.810 42.521 2.289 1
1 1073 . 9 1 1 A 115 115 LEU N N 93 122.250 117.128 5.122 1
1 1074 . 9 1 1 A 116 116 GLN H H 94 8.280 8.329 -0.049 1
1 1075 . 9 1 1 A 116 116 GLN HA H 94 4.700 4.688 0.012 1
1 1080 . 9 1 1 A 116 116 GLN C C 94 174.860 174.149 0.711 1
1 1081 . 9 1 1 A 116 116 GLN CA C 94 55.600 55.749 -0.149 1
1 1082 . 9 1 1 A 116 116 GLN CB C 94 33.510 32.268 1.242 1
1 1083 . 9 1 1 A 116 116 GLN N N 94 121.140 123.202 -2.062 1
1 1085 . 9 1 1 A 117 117 GLN H H 95 8.490 8.713 -0.223 1
1 1086 . 9 1 1 A 117 117 GLN HA H 95 4.080 4.788 -0.708 1
1 1093 . 9 1 1 A 117 117 GLN CA C 95 54.860 53.307 1.553 1
1 1094 . 9 1 1 A 117 117 GLN CB C 95 26.550 29.027 -2.477 1
1 1096 . 9 1 1 A 117 117 GLN N N 95 125.610 125.524 0.086 1
1 1098 . 9 1 1 A 118 118 PRO HA H 96 4.410 4.629 -0.219 1
1 1103 . 9 1 1 A 118 118 PRO C C 96 176.290 175.852 0.438 1
1 1104 . 9 1 1 A 118 118 PRO CA C 96 64.130 63.054 1.076 1
1 1105 . 9 1 1 A 118 118 PRO CB C 96 30.550 31.435 -0.885 1
1 1107 . 9 1 1 A 119 119 ALA H H 97 8.980 8.195 0.785 1
1 1108 . 9 1 1 A 119 119 ALA HA H 97 4.550 4.967 -0.417 1
1 1112 . 9 1 1 A 119 119 ALA C C 97 175.820 176.351 -0.531 1
1 1113 . 9 1 1 A 119 119 ALA CA C 97 51.100 50.543 0.557 1
1 1114 . 9 1 1 A 119 119 ALA CB C 97 22.150 21.460 0.690 1
1 1115 . 9 1 1 A 119 119 ALA N N 97 126.580 126.269 0.311 1
1 1116 . 9 1 1 A 120 120 LYS H H 98 8.710 8.704 0.006 1
1 1117 . 9 1 1 A 120 120 LYS HA H 98 4.450 4.830 -0.380 1
1 1126 . 9 1 1 A 120 120 LYS C C 98 175.950 175.364 0.586 1
1 1127 . 9 1 1 A 120 120 LYS CA C 98 56.360 56.203 0.157 1
1 1128 . 9 1 1 A 120 120 LYS CB C 98 32.090 33.059 -0.969 1
1 1132 . 9 1 1 A 120 120 LYS N N 98 121.330 122.825 -1.495 1
1 1133 . 9 1 1 A 121 121 MET H H 99 8.130 8.625 -0.495 1
1 1138 . 9 1 1 A 121 121 MET N N 99 125.590 127.430 -1.840 1
1 1139 . 9 1 1 A 122 122 GLU HA H 100 3.890 3.832 0.058 1
1 1144 . 9 1 1 A 122 122 GLU C C 100 176.450 178.335 -1.885 1
1 1145 . 9 1 1 A 122 122 GLU CA C 100 59.740 59.052 0.688 1
1 1146 . 9 1 1 A 122 122 GLU CB C 100 29.200 28.875 0.325 1
1 1148 . 9 1 1 A 123 123 PHE H H 101 6.120 7.521 -1.401 1
1 1149 . 9 1 1 A 123 123 PHE HA H 101 4.430 4.292 0.138 1
1 1152 . 9 1 1 A 123 123 PHE C C 101 173.950 175.586 -1.636 1
1 1153 . 9 1 1 A 123 123 PHE CA C 101 54.750 58.702 -3.952 1
1 1154 . 9 1 1 A 123 123 PHE CB C 101 38.630 39.467 -0.837 1
1 1155 . 9 1 1 A 123 123 PHE N N 101 108.900 117.060 -8.160 1
1 1156 . 9 1 1 A 124 124 GLY H H 102 6.670 7.204 -0.534 1
1 1157 . 9 1 1 A 124 124 GLY HA2 H 102 4.780 4.082 0.698 1
1 1158 . 9 1 1 A 124 124 GLY HA3 H 102 3.770 4.221 -0.451 1
1 1159 . 9 1 1 A 124 124 GLY C C 102 170.410 171.865 -1.455 1
1 1160 . 9 1 1 A 124 124 GLY CA C 102 44.570 44.849 -0.279 1
1 1161 . 9 1 1 A 124 124 GLY N N 102 108.900 105.477 3.423 1
1 1162 . 9 1 1 A 125 125 TYR H H 103 8.210 8.552 -0.342 1
1 1163 . 9 1 1 A 125 125 TYR HA H 103 5.080 4.817 0.263 1
1 1170 . 9 1 1 A 125 125 TYR C C 103 175.980 174.395 1.585 1
1 1171 . 9 1 1 A 125 125 TYR CA C 103 56.530 57.002 -0.472 1
1 1172 . 9 1 1 A 125 125 TYR CB C 103 40.180 38.689 1.491 1
1 1175 . 9 1 1 A 125 125 TYR N N 103 123.360 121.751 1.609 1
1 1176 . 9 1 1 A 126 126 THR H H 104 8.450 8.847 -0.397 1
1 1177 . 9 1 1 A 126 126 THR HA H 104 5.630 5.338 0.292 1
1 1182 . 9 1 1 A 126 126 THR C C 104 170.010 172.631 -2.621 1
1 1183 . 9 1 1 A 126 126 THR CA C 104 58.490 60.000 -1.510 1
1 1184 . 9 1 1 A 126 126 THR CB C 104 72.110 71.696 0.414 1
1 1186 . 9 1 1 A 126 126 THR N N 104 120.720 122.479 -1.759 1
1 1187 . 9 1 1 A 127 127 PHE H H 105 8.170 8.896 -0.726 1
1 1188 . 9 1 1 A 127 127 PHE HA H 105 4.620 5.344 -0.724 1
1 1195 . 9 1 1 A 127 127 PHE C C 105 172.490 173.166 -0.676 1
1 1196 . 9 1 1 A 127 127 PHE CA C 105 56.610 56.859 -0.249 1
1 1197 . 9 1 1 A 127 127 PHE CB C 105 41.710 42.935 -1.225 1
1 1200 . 9 1 1 A 127 127 PHE N N 105 120.530 128.467 -7.937 1
1 1201 . 9 1 1 A 128 128 THR H H 106 8.450 8.608 -0.158 1
1 1202 . 9 1 1 A 128 128 THR HA H 106 5.090 4.857 0.233 1
1 1207 . 9 1 1 A 128 128 THR C C 106 172.750 173.445 -0.695 1
1 1208 . 9 1 1 A 128 128 THR CA C 106 63.340 60.672 2.668 1
1 1209 . 9 1 1 A 128 128 THR CB C 106 70.420 71.720 -1.300 1
1 1211 . 9 1 1 A 128 128 THR N N 106 114.010 119.968 -5.958 1
1 1212 . 9 1 1 A 129 129 ALA H H 107 10.030 8.967 1.063 1
1 1213 . 9 1 1 A 129 129 ALA HA H 107 5.540 5.234 0.306 1
1 1217 . 9 1 1 A 129 129 ALA C C 107 179.620 175.624 3.996 1
1 1218 . 9 1 1 A 129 129 ALA CA C 107 50.640 50.376 0.264 1
1 1219 . 9 1 1 A 129 129 ALA CB C 107 24.570 22.490 2.080 1
1 1220 . 9 1 1 A 129 129 ALA N N 107 135.110 129.257 5.853 1
1 1221 . 9 1 1 A 130 130 ALA H H 108 8.650 8.809 -0.159 1
1 1222 . 9 1 1 A 130 130 ALA HA H 108 5.380 5.417 -0.037 1
1 1226 . 9 1 1 A 130 130 ALA C C 108 175.480 176.308 -0.828 1
1 1227 . 9 1 1 A 130 130 ALA CA C 108 50.100 50.492 -0.392 1
1 1228 . 9 1 1 A 130 130 ALA CB C 108 22.770 22.238 0.532 1
1 1229 . 9 1 1 A 130 130 ALA N N 108 121.150 120.936 0.214 1
1 1230 . 9 1 1 A 131 131 ASP H H 109 8.770 8.679 0.091 1
1 1231 . 9 1 1 A 131 131 ASP HA H 109 3.910 4.566 -0.656 1
1 1234 . 9 1 1 A 131 131 ASP CA C 109 51.290 52.204 -0.914 1
1 1235 . 9 1 1 A 131 131 ASP CB C 109 41.350 40.678 0.672 1
1 1236 . 9 1 1 A 131 131 ASP N N 109 123.100 124.070 -0.970 1
1 1237 . 9 1 1 A 132 132 PRO HA H 110 4.140 4.220 -0.080 1
1 1242 . 9 1 1 A 132 132 PRO C C 110 176.890 177.066 -0.176 1
1 1243 . 9 1 1 A 132 132 PRO CA C 110 65.730 64.144 1.586 1
1 1244 . 9 1 1 A 132 132 PRO CB C 110 31.850 31.634 0.216 1
1 1246 . 9 1 1 A 133 133 ASP H H 111 8.740 7.629 1.111 1
1 1247 . 9 1 1 A 133 133 ASP HA H 111 4.800 4.632 0.168 1
1 1250 . 9 1 1 A 133 133 ASP C C 111 173.720 175.852 -2.132 1
1 1251 . 9 1 1 A 133 133 ASP CA C 111 54.140 53.317 0.823 1
1 1252 . 9 1 1 A 133 133 ASP CB C 111 42.910 40.533 2.377 1
1 1253 . 9 1 1 A 133 133 ASP N N 111 118.220 117.153 1.067 1
1 1254 . 9 1 1 A 134 134 SER H H 112 8.370 7.940 0.430 1
1 1255 . 9 1 1 A 134 134 SER HA H 112 3.710 4.048 -0.338 1
1 1258 . 9 1 1 A 134 134 SER CA C 112 60.670 59.232 1.438 1
1 1259 . 9 1 1 A 134 134 SER CB C 112 61.430 60.825 0.605 1
1 1260 . 9 1 1 A 134 134 SER N N 112 109.220 115.338 -6.118 1
1 1261 . 9 1 1 A 135 135 HIS H H 113 8.850 7.654 1.196 1
1 1268 . 9 1 1 A 135 135 HIS N N 113 122.820 119.517 3.303 1
1 1269 . 9 1 1 A 136 136 ARG HA H 114 4.680 4.763 -0.083 1
1 1270 . 9 1 1 A 136 136 ARG C C 114 175.220 175.254 -0.034 1
1 1271 . 9 1 1 A 136 136 ARG CA C 114 57.560 55.107 2.453 1
1 1272 . 9 1 1 A 137 137 LEU H H 115 8.680 9.238 -0.558 1
1 1273 . 9 1 1 A 137 137 LEU HA H 115 5.490 5.265 0.225 1
1 1282 . 9 1 1 A 137 137 LEU C C 115 174.620 175.650 -1.030 1
1 1283 . 9 1 1 A 137 137 LEU CA C 115 52.580 54.415 -1.835 1
1 1284 . 9 1 1 A 137 137 LEU CB C 115 43.070 42.092 0.978 1
1 1287 . 9 1 1 A 137 137 LEU N N 115 123.990 127.023 -3.033 1
1 1288 . 9 1 1 A 138 138 ARG H H 116 9.510 9.342 0.168 1
1 1289 . 9 1 1 A 138 138 ARG HA H 116 5.120 4.968 0.152 1
1 1292 . 9 1 1 A 138 138 ARG C C 116 175.090 175.199 -0.109 1
1 1293 . 9 1 1 A 138 138 ARG CA C 116 54.700 55.559 -0.859 1
1 1294 . 9 1 1 A 138 138 ARG CB C 116 33.480 30.388 3.092 1
1 1295 . 9 1 1 A 138 138 ARG N N 116 125.370 125.038 0.332 1
1 1296 . 9 1 1 A 139 139 VAL H H 117 7.970 8.169 -0.199 1
1 1297 . 9 1 1 A 139 139 VAL HA H 117 5.280 4.963 0.317 1
1 1305 . 9 1 1 A 139 139 VAL C C 117 176.390 175.220 1.170 1
1 1306 . 9 1 1 A 139 139 VAL CA C 117 60.090 62.065 -1.975 1
1 1307 . 9 1 1 A 139 139 VAL CB C 117 32.690 31.337 1.353 1
1 1310 . 9 1 1 A 139 139 VAL N N 117 128.260 125.472 2.788 1
1 1311 . 9 1 1 A 140 140 TYR H H 118 9.200 9.005 0.195 1
1 1312 . 9 1 1 A 140 140 TYR HA H 118 5.800 5.712 0.088 1
1 1319 . 9 1 1 A 140 140 TYR C C 118 170.820 172.831 -2.011 1
1 1320 . 9 1 1 A 140 140 TYR CA C 118 56.060 55.416 0.644 1
1 1321 . 9 1 1 A 140 140 TYR CB C 118 42.460 41.807 0.653 1
1 1324 . 9 1 1 A 140 140 TYR N N 118 127.020 124.464 2.556 1
1 1325 . 9 1 1 A 141 141 ALA H H 119 8.330 9.214 -0.884 1
1 1326 . 9 1 1 A 141 141 ALA HA H 119 4.560 5.062 -0.502 1
1 1330 . 9 1 1 A 141 141 ALA C C 119 177.150 176.467 0.683 1
1 1331 . 9 1 1 A 141 141 ALA CA C 119 50.530 50.485 0.045 1
1 1332 . 9 1 1 A 141 141 ALA CB C 119 21.220 21.239 -0.019 1
1 1333 . 9 1 1 A 141 141 ALA N N 119 121.160 122.844 -1.684 1
1 1334 . 9 1 1 A 142 142 PHE H H 120 8.780 9.035 -0.255 1
1 1335 . 9 1 1 A 142 142 PHE HA H 120 4.910 4.946 -0.036 1
1 1340 . 9 1 1 A 142 142 PHE C C 120 175.090 174.905 0.185 1
1 1341 . 9 1 1 A 142 142 PHE CA C 120 57.720 59.409 -1.689 1
1 1342 . 9 1 1 A 142 142 PHE CB C 120 40.810 40.188 0.622 1
1 1344 . 9 1 1 A 142 142 PHE N N 120 122.630 126.482 -3.852 1
1 1345 . 9 1 1 A 143 143 ALA H H 121 8.190 7.927 0.263 1
1 1346 . 9 1 1 A 143 143 ALA HA H 121 4.330 4.353 -0.023 1
1 1350 . 9 1 1 A 143 143 ALA C C 121 176.260 177.351 -1.091 1
1 1351 . 9 1 1 A 143 143 ALA CA C 121 52.280 51.555 0.725 1
1 1352 . 9 1 1 A 143 143 ALA CB C 121 19.310 18.322 0.988 1
1 1353 . 9 1 1 A 143 143 ALA N N 121 129.460 127.705 1.755 1
1 16 . 10 1 1 A 24 24 THR H H 2 8.350 7.538 0.812 1
1 17 . 10 1 1 A 24 24 THR HA H 2 4.470 4.863 -0.393 1
1 22 . 10 1 1 A 24 24 THR CA C 2 61.890 61.720 0.170 1
1 23 . 10 1 1 A 24 24 THR CB C 2 69.630 72.782 -3.152 1
1 25 . 10 1 1 A 24 24 THR N N 2 117.720 113.564 4.156 1
1 26 . 10 1 1 A 25 25 HIS H H 3 8.630 8.878 -0.248 1
1 27 . 10 1 1 A 25 25 HIS HA H 3 5.200 4.957 0.243 1
1 30 . 10 1 1 A 25 25 HIS CA C 3 51.620 53.721 -2.101 1
1 31 . 10 1 1 A 25 25 HIS CB C 3 33.320 30.905 2.415 1
1 32 . 10 1 1 A 25 25 HIS N N 3 124.890 124.137 0.753 1
1 33 . 10 1 1 A 26 26 PRO HA H 4 4.170 4.743 -0.573 1
1 40 . 10 1 1 A 26 26 PRO C C 4 175.740 176.084 -0.344 1
1 41 . 10 1 1 A 26 26 PRO CA C 4 62.740 62.171 0.569 1
1 42 . 10 1 1 A 26 26 PRO CB C 4 31.460 29.483 1.977 1
1 45 . 10 1 1 A 27 27 ASP H H 5 8.270 9.032 -0.762 1
1 46 . 10 1 1 A 27 27 ASP HA H 5 4.810 4.937 -0.127 1
1 49 . 10 1 1 A 27 27 ASP C C 5 175.400 175.753 -0.353 1
1 50 . 10 1 1 A 27 27 ASP CA C 5 53.310 53.679 -0.369 1
1 51 . 10 1 1 A 27 27 ASP CB C 5 42.390 41.522 0.868 1
1 52 . 10 1 1 A 27 27 ASP N N 5 119.440 123.363 -3.923 1
1 53 . 10 1 1 A 28 28 PHE H H 6 7.280 7.750 -0.470 1
1 54 . 10 1 1 A 28 28 PHE HA H 6 5.440 5.105 0.335 1
1 61 . 10 1 1 A 28 28 PHE C C 6 174.180 173.404 0.776 1
1 62 . 10 1 1 A 28 28 PHE CA C 6 54.590 56.600 -2.010 1
1 63 . 10 1 1 A 28 28 PHE CB C 6 42.310 42.383 -0.073 1
1 66 . 10 1 1 A 28 28 PHE N N 6 118.410 119.637 -1.227 1
1 67 . 10 1 1 A 29 29 THR H H 7 8.500 9.109 -0.609 1
1 68 . 10 1 1 A 29 29 THR HA H 7 4.800 5.115 -0.315 1
1 73 . 10 1 1 A 29 29 THR C C 7 172.280 172.955 -0.675 1
1 74 . 10 1 1 A 29 29 THR CA C 7 62.550 60.077 2.473 1
1 75 . 10 1 1 A 29 29 THR CB C 7 70.420 71.895 -1.475 1
1 77 . 10 1 1 A 29 29 THR N N 7 123.070 121.670 1.400 1
1 78 . 10 1 1 A 30 30 ILE H H 8 9.270 8.978 0.292 1
1 79 . 10 1 1 A 30 30 ILE HA H 8 4.680 4.851 -0.171 1
1 89 . 10 1 1 A 30 30 ILE C C 8 173.970 174.493 -0.523 1
1 90 . 10 1 1 A 30 30 ILE CA C 8 59.220 59.896 -0.676 1
1 91 . 10 1 1 A 30 30 ILE CB C 8 40.210 42.369 -2.159 1
1 95 . 10 1 1 A 30 30 ILE N N 8 126.920 127.051 -0.131 1
1 96 . 10 1 1 A 31 31 LEU H H 9 8.760 8.629 0.131 1
1 97 . 10 1 1 A 31 31 LEU HA H 9 4.330 4.806 -0.476 1
1 107 . 10 1 1 A 31 31 LEU C C 9 176.520 175.743 0.777 1
1 108 . 10 1 1 A 31 31 LEU CA C 9 52.960 53.753 -0.793 1
1 109 . 10 1 1 A 31 31 LEU CB C 9 41.820 43.211 -1.391 1
1 113 . 10 1 1 A 31 31 LEU N N 9 126.000 127.182 -1.182 1
1 114 . 10 1 1 A 32 32 TYR H H 10 8.190 8.979 -0.789 1
1 115 . 10 1 1 A 32 32 TYR HA H 10 5.980 4.761 1.219 1
1 118 . 10 1 1 A 32 32 TYR C C 10 177.720 175.530 2.190 1
1 119 . 10 1 1 A 32 32 TYR CA C 10 53.120 57.127 -4.007 1
1 120 . 10 1 1 A 32 32 TYR CB C 10 36.560 38.617 -2.057 1
1 121 . 10 1 1 A 32 32 TYR N N 10 122.130 122.167 -0.037 1
1 122 . 10 1 1 A 33 33 VAL H H 11 8.470 8.599 -0.129 1
1 123 . 10 1 1 A 33 33 VAL HA H 11 4.990 4.964 0.026 1
1 131 . 10 1 1 A 33 33 VAL C C 11 176.030 175.561 0.469 1
1 132 . 10 1 1 A 33 33 VAL CA C 11 58.240 59.476 -1.236 1
1 133 . 10 1 1 A 33 33 VAL CB C 11 35.090 34.619 0.471 1
1 136 . 10 1 1 A 33 33 VAL N N 11 113.820 120.601 -6.781 1
1 137 . 10 1 1 A 34 34 ASP H H 12 9.750 9.044 0.706 1
1 138 . 10 1 1 A 34 34 ASP HA H 12 4.550 4.815 -0.265 1
1 141 . 10 1 1 A 34 34 ASP C C 12 177.230 175.244 1.986 1
1 142 . 10 1 1 A 34 34 ASP CA C 12 58.000 55.683 2.317 1
1 143 . 10 1 1 A 34 34 ASP CB C 12 42.780 43.026 -0.246 1
1 144 . 10 1 1 A 34 34 ASP N N 12 124.140 121.829 2.311 1
1 145 . 10 1 1 A 35 35 ASN H H 13 9.250 8.032 1.218 1
1 146 . 10 1 1 A 35 35 ASN HA H 13 5.120 4.960 0.160 1
1 151 . 10 1 1 A 35 35 ASN CA C 13 50.610 49.951 0.659 1
1 152 . 10 1 1 A 35 35 ASN CB C 13 39.920 39.368 0.552 1
1 153 . 10 1 1 A 35 35 ASN N N 13 114.460 117.297 -2.837 1
1 155 . 10 1 1 A 37 37 PRO HA H 15 4.350 4.278 0.072 1
1 162 . 10 1 1 A 37 37 PRO C C 15 179.310 179.440 -0.130 1
1 163 . 10 1 1 A 37 37 PRO CA C 15 67.480 66.590 0.890 1
1 164 . 10 1 1 A 37 37 PRO CB C 15 31.340 30.811 0.529 1
1 167 . 10 1 1 A 38 38 ALA H H 16 7.740 8.237 -0.497 1
1 168 . 10 1 1 A 38 38 ALA HA H 16 4.310 4.080 0.230 1
1 172 . 10 1 1 A 38 38 ALA C C 16 182.490 180.054 2.436 1
1 173 . 10 1 1 A 38 38 ALA CA C 16 55.160 55.291 -0.131 1
1 174 . 10 1 1 A 38 38 ALA CB C 16 18.360 18.377 -0.017 1
1 175 . 10 1 1 A 38 38 ALA N N 16 121.510 119.277 2.233 1
1 176 . 10 1 1 A 39 39 SER H H 17 8.770 8.136 0.634 1
1 177 . 10 1 1 A 39 39 SER HA H 17 4.190 4.243 -0.053 1
1 180 . 10 1 1 A 39 39 SER C C 17 175.610 176.514 -0.904 1
1 181 . 10 1 1 A 39 39 SER CA C 17 64.260 62.521 1.739 1
1 182 . 10 1 1 A 39 39 SER CB C 17 62.790 63.218 -0.428 1
1 183 . 10 1 1 A 39 39 SER N N 17 117.520 113.901 3.619 1
1 184 . 10 1 1 A 40 40 THR H H 18 9.310 7.916 1.394 1
1 185 . 10 1 1 A 40 40 THR HA H 18 4.480 4.346 0.134 1
1 190 . 10 1 1 A 40 40 THR C C 18 175.590 177.476 -1.886 1
1 191 . 10 1 1 A 40 40 THR CA C 18 68.130 65.926 2.204 1
1 192 . 10 1 1 A 40 40 THR CB C 18 68.480 68.789 -0.309 1
1 194 . 10 1 1 A 40 40 THR N N 18 120.600 117.680 2.920 1
1 195 . 10 1 1 A 41 41 GLN H H 19 7.610 8.274 -0.664 1
1 196 . 10 1 1 A 41 41 GLN HA H 19 4.080 4.122 -0.042 1
1 203 . 10 1 1 A 41 41 GLN C C 19 178.110 178.200 -0.090 1
1 204 . 10 1 1 A 41 41 GLN CA C 19 59.170 59.136 0.034 1
1 205 . 10 1 1 A 41 41 GLN CB C 19 28.170 28.349 -0.179 1
1 207 . 10 1 1 A 41 41 GLN N N 19 120.130 120.929 -0.799 1
1 209 . 10 1 1 A 42 42 PHE H H 20 7.710 7.822 -0.112 1
1 210 . 10 1 1 A 42 42 PHE HA H 20 4.080 4.135 -0.055 1
1 218 . 10 1 1 A 42 42 PHE C C 20 177.460 177.081 0.379 1
1 219 . 10 1 1 A 42 42 PHE CA C 20 61.760 61.360 0.400 1
1 220 . 10 1 1 A 42 42 PHE CB C 20 38.590 38.722 -0.132 1
1 224 . 10 1 1 A 42 42 PHE N N 20 120.560 121.854 -1.294 1
1 225 . 10 1 1 A 43 43 TYR H H 21 8.890 8.089 0.801 1
1 226 . 10 1 1 A 43 43 TYR HA H 21 3.700 4.219 -0.519 1
1 233 . 10 1 1 A 43 43 TYR C C 21 177.640 178.212 -0.572 1
1 234 . 10 1 1 A 43 43 TYR CA C 21 64.290 61.568 2.722 1
1 235 . 10 1 1 A 43 43 TYR CB C 21 38.110 37.614 0.496 1
1 238 . 10 1 1 A 43 43 TYR N N 21 118.420 118.001 0.419 1
1 239 . 10 1 1 A 44 44 LYS H H 22 8.860 8.277 0.583 1
1 240 . 10 1 1 A 44 44 LYS HA H 22 4.630 3.904 0.726 1
1 249 . 10 1 1 A 44 44 LYS C C 22 179.780 179.087 0.693 1
1 250 . 10 1 1 A 44 44 LYS CA C 22 59.630 59.617 0.013 1
1 251 . 10 1 1 A 44 44 LYS CB C 22 33.210 32.420 0.790 1
1 255 . 10 1 1 A 44 44 LYS N N 22 122.200 120.272 1.928 1
1 256 . 10 1 1 A 45 45 ALA H H 23 7.180 7.386 -0.206 1
1 257 . 10 1 1 A 45 45 ALA HA H 23 4.040 4.000 0.040 1
1 261 . 10 1 1 A 45 45 ALA C C 23 179.130 179.938 -0.808 1
1 262 . 10 1 1 A 45 45 ALA CA C 23 54.350 54.732 -0.382 1
1 263 . 10 1 1 A 45 45 ALA CB C 23 18.030 18.174 -0.144 1
1 264 . 10 1 1 A 45 45 ALA N N 23 120.710 121.577 -0.867 1
1 265 . 10 1 1 A 46 46 LEU H H 24 7.510 7.590 -0.080 1
1 266 . 10 1 1 A 46 46 LEU HA H 24 3.550 3.873 -0.323 1
1 276 . 10 1 1 A 46 46 LEU C C 24 178.680 178.330 0.350 1
1 277 . 10 1 1 A 46 46 LEU CA C 24 57.910 57.319 0.591 1
1 278 . 10 1 1 A 46 46 LEU CB C 24 43.950 41.177 2.773 1
1 282 . 10 1 1 A 46 46 LEU N N 24 118.650 119.992 -1.342 1
1 283 . 10 1 1 A 47 47 LEU H H 25 8.800 7.585 1.215 1
1 284 . 10 1 1 A 47 47 LEU HA H 25 4.480 4.536 -0.056 1
1 294 . 10 1 1 A 47 47 LEU C C 25 178.960 177.395 1.565 1
1 295 . 10 1 1 A 47 47 LEU CA C 25 55.010 55.897 -0.887 1
1 296 . 10 1 1 A 47 47 LEU CB C 25 42.500 42.823 -0.323 1
1 300 . 10 1 1 A 47 47 LEU N N 25 112.540 117.261 -4.721 1
1 301 . 10 1 1 A 48 48 GLY H H 26 7.810 8.300 -0.490 1
1 302 . 10 1 1 A 48 48 GLY HA2 H 26 4.030 3.916 0.114 1
1 303 . 10 1 1 A 48 48 GLY HA3 H 26 3.900 3.938 -0.038 1
1 304 . 10 1 1 A 48 48 GLY C C 26 173.560 173.895 -0.335 1
1 305 . 10 1 1 A 48 48 GLY CA C 26 46.810 46.093 0.717 1
1 306 . 10 1 1 A 48 48 GLY N N 26 107.650 106.869 0.781 1
1 307 . 10 1 1 A 49 49 VAL H H 27 7.100 7.167 -0.067 1
1 308 . 10 1 1 A 49 49 VAL HA H 27 4.700 4.776 -0.076 1
1 316 . 10 1 1 A 49 49 VAL C C 27 172.980 173.654 -0.674 1
1 317 . 10 1 1 A 49 49 VAL CA C 27 58.680 58.966 -0.286 1
1 318 . 10 1 1 A 49 49 VAL CB C 27 36.090 36.051 0.039 1
1 321 . 10 1 1 A 49 49 VAL N N 27 110.770 115.200 -4.430 1
1 322 . 10 1 1 A 50 50 ASP H H 28 8.100 8.859 -0.759 1
1 323 . 10 1 1 A 50 50 ASP HA H 28 4.930 5.148 -0.218 1
1 326 . 10 1 1 A 50 50 ASP CA C 28 52.550 51.376 1.174 1
1 327 . 10 1 1 A 50 50 ASP CB C 28 40.520 44.038 -3.518 1
1 328 . 10 1 1 A 50 50 ASP N N 28 119.760 119.309 0.451 1
1 329 . 10 1 1 A 51 51 PRO HA H 29 3.700 4.924 -1.224 1
1 336 . 10 1 1 A 51 51 PRO C C 29 176.580 177.861 -1.281 1
1 337 . 10 1 1 A 51 51 PRO CA C 29 62.900 62.855 0.045 1
1 338 . 10 1 1 A 51 51 PRO CB C 29 30.550 31.779 -1.229 1
1 341 . 10 1 1 A 52 52 VAL H H 30 8.340 8.756 -0.416 1
1 342 . 10 1 1 A 52 52 VAL HA H 30 4.080 4.004 0.076 1
1 350 . 10 1 1 A 52 52 VAL C C 30 176.190 175.516 0.674 1
1 351 . 10 1 1 A 52 52 VAL CA C 30 62.790 64.107 -1.317 1
1 352 . 10 1 1 A 52 52 VAL CB C 30 32.280 32.438 -0.158 1
1 355 . 10 1 1 A 52 52 VAL N N 30 117.320 125.046 -7.726 1
1 356 . 10 1 1 A 53 53 GLU H H 31 7.170 7.759 -0.589 1
1 357 . 10 1 1 A 53 53 GLU HA H 31 4.580 4.932 -0.352 1
1 362 . 10 1 1 A 53 53 GLU C C 31 174.940 174.879 0.061 1
1 363 . 10 1 1 A 53 53 GLU CA C 31 55.330 55.041 0.289 1
1 364 . 10 1 1 A 53 53 GLU CB C 31 33.370 32.370 1.000 1
1 366 . 10 1 1 A 53 53 GLU N N 31 118.180 120.361 -2.181 1
1 367 . 10 1 1 A 54 54 SER H H 32 8.650 8.928 -0.278 1
1 368 . 10 1 1 A 54 54 SER HA H 32 5.130 5.332 -0.202 1
1 371 . 10 1 1 A 54 54 SER C C 32 171.990 172.766 -0.776 1
1 372 . 10 1 1 A 54 54 SER CA C 32 57.940 56.685 1.255 1
1 373 . 10 1 1 A 54 54 SER CB C 32 64.720 65.017 -0.297 1
1 374 . 10 1 1 A 54 54 SER N N 32 117.210 120.023 -2.813 1
1 375 . 10 1 1 A 55 55 SER H H 33 8.760 8.710 0.050 1
1 376 . 10 1 1 A 55 55 SER N N 33 124.420 121.588 2.832 1
1 377 . 10 1 1 A 56 56 PRO HA H 34 4.320 4.450 -0.130 1
1 382 . 10 1 1 A 56 56 PRO C C 34 177.290 177.149 0.141 1
1 383 . 10 1 1 A 56 56 PRO CA C 34 65.750 64.590 1.160 1
1 384 . 10 1 1 A 56 56 PRO CB C 34 32.490 32.162 0.328 1
1 386 . 10 1 1 A 57 57 THR H H 35 7.810 8.203 -0.393 1
1 387 . 10 1 1 A 57 57 THR HA H 35 4.630 4.843 -0.213 1
1 392 . 10 1 1 A 57 57 THR C C 35 174.080 173.972 0.108 1
1 393 . 10 1 1 A 57 57 THR CA C 35 61.860 61.474 0.386 1
1 394 . 10 1 1 A 57 57 THR CB C 35 70.940 70.323 0.617 1
1 396 . 10 1 1 A 57 57 THR N N 35 101.710 110.657 -8.947 1
1 397 . 10 1 1 A 58 58 PHE H H 36 7.670 7.441 0.229 1
1 398 . 10 1 1 A 58 58 PHE HA H 36 5.780 4.851 0.929 1
1 405 . 10 1 1 A 58 58 PHE CA C 36 57.820 58.291 -0.471 1
1 406 . 10 1 1 A 58 58 PHE CB C 36 43.010 42.437 0.573 1
1 409 . 10 1 1 A 58 58 PHE N N 36 124.370 120.877 3.493 1
1 410 . 10 1 1 A 59 59 SER H H 37 8.070 7.851 0.219 1
1 411 . 10 1 1 A 59 59 SER HA H 37 4.890 5.262 -0.372 1
1 414 . 10 1 1 A 59 59 SER C C 37 170.010 172.686 -2.676 1
1 415 . 10 1 1 A 59 59 SER CA C 37 56.660 56.916 -0.256 1
1 416 . 10 1 1 A 59 59 SER CB C 37 67.490 65.984 1.506 1
1 417 . 10 1 1 A 59 59 SER N N 37 122.930 119.853 3.077 1
1 418 . 10 1 1 A 60 60 LEU H H 38 8.140 8.371 -0.231 1
1 419 . 10 1 1 A 60 60 LEU HA H 38 4.810 4.440 0.370 1
1 429 . 10 1 1 A 60 60 LEU C C 38 174.000 174.556 -0.556 1
1 430 . 10 1 1 A 60 60 LEU CA C 38 53.750 54.364 -0.614 1
1 431 . 10 1 1 A 60 60 LEU CB C 38 47.250 45.917 1.333 1
1 435 . 10 1 1 A 60 60 LEU N N 38 122.030 122.977 -0.947 1
1 436 . 10 1 1 A 61 61 PHE H H 39 9.460 8.061 1.399 1
1 437 . 10 1 1 A 61 61 PHE HA H 39 4.580 5.651 -1.071 1
1 444 . 10 1 1 A 61 61 PHE C C 39 174.390 173.126 1.264 1
1 445 . 10 1 1 A 61 61 PHE CA C 39 57.180 55.201 1.979 1
1 446 . 10 1 1 A 61 61 PHE CB C 39 41.570 42.964 -1.394 1
1 449 . 10 1 1 A 61 61 PHE N N 39 124.820 121.566 3.254 1
1 450 . 10 1 1 A 62 62 VAL H H 40 8.640 8.980 -0.340 1
1 451 . 10 1 1 A 62 62 VAL HA H 40 4.260 4.790 -0.530 1
1 459 . 10 1 1 A 62 62 VAL C C 40 175.380 174.937 0.443 1
1 460 . 10 1 1 A 62 62 VAL CA C 40 62.520 60.786 1.734 1
1 461 . 10 1 1 A 62 62 VAL CB C 40 32.470 34.485 -2.015 1
1 464 . 10 1 1 A 62 62 VAL N N 40 122.650 121.361 1.289 1
1 465 . 10 1 1 A 63 63 LEU H H 41 8.710 8.723 -0.013 1
1 466 . 10 1 1 A 63 63 LEU HA H 41 4.590 4.638 -0.048 1
1 476 . 10 1 1 A 63 63 LEU CA C 41 53.560 53.738 -0.178 1
1 477 . 10 1 1 A 63 63 LEU CB C 41 41.600 42.818 -1.218 1
1 481 . 10 1 1 A 63 63 LEU N N 41 126.170 127.540 -1.370 1
1 482 . 10 1 1 A 64 64 ALA HA H 42 4.040 4.066 -0.026 1
1 486 . 10 1 1 A 64 64 ALA CA C 42 55.050 54.517 0.533 1
1 487 . 10 1 1 A 64 64 ALA CB C 42 18.580 18.553 0.027 1
1 488 . 10 1 1 A 65 65 ASN H H 43 7.680 7.806 -0.126 1
1 489 . 10 1 1 A 65 65 ASN HA H 43 4.520 4.802 -0.282 1
1 494 . 10 1 1 A 65 65 ASN C C 43 175.860 175.456 0.404 1
1 495 . 10 1 1 A 65 65 ASN CA C 43 52.530 53.199 -0.669 1
1 496 . 10 1 1 A 65 65 ASN CB C 43 37.800 38.846 -1.046 1
1 497 . 10 1 1 A 65 65 ASN N N 43 112.130 115.051 -2.921 1
1 499 . 10 1 1 A 66 66 GLY H H 44 8.070 7.957 0.113 1
1 500 . 10 1 1 A 66 66 GLY HA2 H 44 4.330 3.934 0.396 1
1 501 . 10 1 1 A 66 66 GLY HA3 H 44 3.480 3.937 -0.457 1
1 502 . 10 1 1 A 66 66 GLY C C 44 174.260 174.302 -0.042 1
1 503 . 10 1 1 A 66 66 GLY CA C 44 44.930 44.985 -0.055 1
1 504 . 10 1 1 A 66 66 GLY N N 44 107.650 107.723 -0.073 1
1 505 . 10 1 1 A 67 67 MET H H 45 7.900 7.805 0.095 1
1 506 . 10 1 1 A 67 67 MET HA H 45 4.420 4.766 -0.346 1
1 514 . 10 1 1 A 67 67 MET CA C 45 55.520 54.390 1.130 1
1 515 . 10 1 1 A 67 67 MET CB C 45 33.630 34.683 -1.053 1
1 518 . 10 1 1 A 67 67 MET N N 45 121.850 119.423 2.427 1
1 519 . 10 1 1 A 68 68 LYS HA H 46 5.040 5.127 -0.087 1
1 528 . 10 1 1 A 68 68 LYS C C 46 174.600 174.352 0.248 1
1 529 . 10 1 1 A 68 68 LYS CA C 46 55.410 54.991 0.419 1
1 530 . 10 1 1 A 68 68 LYS CB C 46 34.460 35.990 -1.530 1
1 534 . 10 1 1 A 69 69 LEU H H 47 8.830 8.640 0.190 1
1 535 . 10 1 1 A 69 69 LEU HA H 47 5.450 5.478 -0.028 1
1 545 . 10 1 1 A 69 69 LEU C C 47 174.880 174.940 -0.060 1
1 546 . 10 1 1 A 69 69 LEU CA C 47 52.980 54.078 -1.098 1
1 547 . 10 1 1 A 69 69 LEU CB C 47 46.560 45.712 0.848 1
1 551 . 10 1 1 A 69 69 LEU N N 47 124.960 126.432 -1.472 1
1 552 . 10 1 1 A 70 70 GLY H H 48 9.580 9.232 0.348 1
1 553 . 10 1 1 A 70 70 GLY HA2 H 48 5.220 3.900 1.320 1
1 554 . 10 1 1 A 70 70 GLY HA3 H 48 3.090 4.192 -1.102 1
1 555 . 10 1 1 A 70 70 GLY C C 48 170.590 171.615 -1.025 1
1 556 . 10 1 1 A 70 70 GLY CA C 48 43.370 43.886 -0.516 1
1 557 . 10 1 1 A 70 70 GLY N N 48 113.940 113.914 0.026 1
1 558 . 10 1 1 A 71 71 LEU H H 49 8.250 8.136 0.114 1
1 559 . 10 1 1 A 71 71 LEU HA H 49 5.150 4.845 0.305 1
1 569 . 10 1 1 A 71 71 LEU C C 49 173.920 174.523 -0.603 1
1 570 . 10 1 1 A 71 71 LEU CA C 49 52.770 53.346 -0.576 1
1 571 . 10 1 1 A 71 71 LEU CB C 49 43.100 44.295 -1.195 1
1 575 . 10 1 1 A 71 71 LEU N N 49 122.270 121.000 1.270 1
1 576 . 10 1 1 A 72 72 TRP H H 50 8.960 8.729 0.231 1
1 577 . 10 1 1 A 72 72 TRP HA H 50 5.860 5.623 0.237 1
1 584 . 10 1 1 A 72 72 TRP C C 50 175.740 175.251 0.489 1
1 585 . 10 1 1 A 72 72 TRP CA C 50 53.170 55.462 -2.292 1
1 586 . 10 1 1 A 72 72 TRP CB C 50 34.990 32.393 2.597 1
1 590 . 10 1 1 A 72 72 TRP N N 50 125.010 128.293 -3.283 1
1 592 . 10 1 1 A 73 73 SER H H 51 9.010 9.219 -0.209 1
1 593 . 10 1 1 A 73 73 SER HA H 51 4.570 4.896 -0.326 1
1 596 . 10 1 1 A 73 73 SER C C 51 176.240 175.524 0.716 1
1 597 . 10 1 1 A 73 73 SER CA C 51 58.490 59.688 -1.198 1
1 598 . 10 1 1 A 73 73 SER CB C 51 63.770 63.313 0.457 1
1 599 . 10 1 1 A 73 73 SER N N 51 120.380 123.519 -3.139 1
1 600 . 10 1 1 A 74 74 ARG H H 52 9.420 8.826 0.594 1
1 601 . 10 1 1 A 74 74 ARG HA H 52 3.460 3.853 -0.393 1
1 608 . 10 1 1 A 74 74 ARG C C 52 175.610 176.715 -1.105 1
1 609 . 10 1 1 A 74 74 ARG CA C 52 57.590 58.006 -0.416 1
1 610 . 10 1 1 A 74 74 ARG CB C 52 28.900 29.676 -0.776 1
1 613 . 10 1 1 A 74 74 ARG N N 52 128.770 125.669 3.101 1
1 614 . 10 1 1 A 75 75 HIS H H 53 7.910 8.101 -0.191 1
1 615 . 10 1 1 A 75 75 HIS HA H 53 4.310 4.477 -0.167 1
1 619 . 10 1 1 A 75 75 HIS C C 53 176.610 175.319 1.291 1
1 620 . 10 1 1 A 75 75 HIS CA C 53 57.190 57.106 0.084 1
1 621 . 10 1 1 A 75 75 HIS CB C 53 31.260 29.249 2.011 1
1 623 . 10 1 1 A 75 75 HIS N N 53 117.320 116.505 0.815 1
1 624 . 10 1 1 A 76 76 THR H H 54 7.360 7.590 -0.230 1
1 625 . 10 1 1 A 76 76 THR HA H 54 4.540 4.387 0.153 1
1 630 . 10 1 1 A 76 76 THR C C 54 175.120 173.807 1.313 1
1 631 . 10 1 1 A 76 76 THR CA C 54 61.840 61.090 0.750 1
1 632 . 10 1 1 A 76 76 THR CB C 54 69.680 70.649 -0.969 1
1 634 . 10 1 1 A 76 76 THR N N 54 107.350 113.795 -6.445 1
1 635 . 10 1 1 A 77 77 VAL H H 55 6.630 7.089 -0.459 1
1 636 . 10 1 1 A 77 77 VAL HA H 55 2.700 2.293 0.407 1
1 644 . 10 1 1 A 77 77 VAL C C 55 173.920 174.956 -1.036 1
1 645 . 10 1 1 A 77 77 VAL CA C 55 63.500 61.922 1.578 1
1 646 . 10 1 1 A 77 77 VAL CB C 55 31.270 31.837 -0.567 1
1 649 . 10 1 1 A 77 77 VAL N N 55 123.760 121.809 1.951 1
1 650 . 10 1 1 A 78 78 GLU H H 56 6.010 7.976 -1.966 1
1 651 . 10 1 1 A 78 78 GLU HA H 56 4.160 4.739 -0.579 1
1 656 . 10 1 1 A 78 78 GLU CA C 56 53.120 52.654 0.466 1
1 657 . 10 1 1 A 78 78 GLU CB C 56 32.240 31.106 1.134 1
1 659 . 10 1 1 A 78 78 GLU N N 56 124.820 127.575 -2.755 1
1 660 . 10 1 1 A 79 79 PRO HA H 57 4.620 4.580 0.040 1
1 667 . 10 1 1 A 79 79 PRO C C 57 176.190 176.543 -0.353 1
1 668 . 10 1 1 A 79 79 PRO CA C 57 61.890 62.441 -0.551 1
1 669 . 10 1 1 A 79 79 PRO CB C 57 33.620 32.067 1.553 1
1 672 . 10 1 1 A 80 80 LYS H H 58 8.340 8.170 0.170 1
1 673 . 10 1 1 A 80 80 LYS HA H 58 3.880 4.181 -0.301 1
1 682 . 10 1 1 A 80 80 LYS C C 58 177.100 176.270 0.830 1
1 683 . 10 1 1 A 80 80 LYS CA C 58 57.610 56.683 0.927 1
1 684 . 10 1 1 A 80 80 LYS CB C 58 32.400 31.954 0.446 1
1 688 . 10 1 1 A 80 80 LYS N N 58 121.510 121.471 0.039 1
1 689 . 10 1 1 A 81 81 ALA H H 59 8.430 8.518 -0.088 1
1 690 . 10 1 1 A 81 81 ALA HA H 59 4.870 4.909 -0.039 1
1 694 . 10 1 1 A 81 81 ALA C C 59 177.460 176.125 1.335 1
1 695 . 10 1 1 A 81 81 ALA CA C 59 51.020 51.178 -0.158 1
1 696 . 10 1 1 A 81 81 ALA CB C 59 22.910 20.402 2.508 1
1 697 . 10 1 1 A 81 81 ALA N N 59 129.030 126.992 2.038 1
1 698 . 10 1 1 A 82 82 SER H H 60 9.680 8.900 0.780 1
1 699 . 10 1 1 A 82 82 SER HA H 60 4.510 5.058 -0.548 1
1 702 . 10 1 1 A 82 82 SER C C 60 172.960 173.345 -0.385 1
1 703 . 10 1 1 A 82 82 SER CA C 60 58.350 57.005 1.345 1
1 704 . 10 1 1 A 82 82 SER CB C 60 65.150 63.360 1.790 1
1 705 . 10 1 1 A 82 82 SER N N 60 115.930 118.790 -2.860 1
1 706 . 10 1 1 A 83 83 VAL H H 61 7.450 8.792 -1.342 1
1 707 . 10 1 1 A 83 83 VAL HA H 61 4.260 5.159 -0.899 1
1 715 . 10 1 1 A 83 83 VAL CA C 61 60.940 59.803 1.137 1
1 716 . 10 1 1 A 83 83 VAL CB C 61 35.360 35.840 -0.480 1
1 719 . 10 1 1 A 83 83 VAL N N 61 121.550 121.450 0.100 1
1 720 . 10 1 1 A 84 84 THR H H 62 7.850 8.864 -1.014 1
1 721 . 10 1 1 A 84 84 THR HA H 62 4.750 5.353 -0.603 1
1 726 . 10 1 1 A 84 84 THR C C 62 174.040 173.327 0.713 1
1 727 . 10 1 1 A 84 84 THR CA C 62 59.370 60.249 -0.879 1
1 728 . 10 1 1 A 84 84 THR CB C 62 68.800 71.311 -2.511 1
1 730 . 10 1 1 A 84 84 THR N N 62 111.040 113.618 -2.578 1
1 731 . 10 1 1 A 85 85 GLY H H 63 7.950 8.353 -0.403 1
1 732 . 10 1 1 A 85 85 GLY HA2 H 63 3.480 4.129 -0.649 1
1 733 . 10 1 1 A 85 85 GLY HA3 H 63 2.950 4.158 -1.208 1
1 734 . 10 1 1 A 85 85 GLY C C 63 174.140 174.143 -0.003 1
1 735 . 10 1 1 A 85 85 GLY CA C 63 45.490 46.123 -0.633 1
1 736 . 10 1 1 A 85 85 GLY N N 63 109.700 109.087 0.613 1
1 737 . 10 1 1 A 86 86 GLY H H 64 8.530 7.658 0.872 1
1 738 . 10 1 1 A 86 86 GLY HA2 H 64 4.550 4.240 0.310 1
1 739 . 10 1 1 A 86 86 GLY HA3 H 64 3.700 4.300 -0.600 1
1 740 . 10 1 1 A 86 86 GLY C C 64 174.700 172.988 1.712 1
1 741 . 10 1 1 A 86 86 GLY CA C 64 45.600 46.009 -0.409 1
1 742 . 10 1 1 A 86 86 GLY N N 64 107.420 104.463 2.957 1
1 743 . 10 1 1 A 87 87 GLY H H 65 9.280 8.728 0.552 1
1 744 . 10 1 1 A 87 87 GLY HA2 H 65 4.860 4.091 0.769 1
1 745 . 10 1 1 A 87 87 GLY HA3 H 65 4.160 4.231 -0.071 1
1 746 . 10 1 1 A 87 87 GLY C C 65 172.640 173.974 -1.334 1
1 747 . 10 1 1 A 87 87 GLY CA C 65 45.630 44.482 1.148 1
1 748 . 10 1 1 A 87 87 GLY N N 65 111.380 109.392 1.988 1
1 749 . 10 1 1 A 88 88 GLY H H 66 6.610 8.370 -1.760 1
1 750 . 10 1 1 A 88 88 GLY HA2 H 66 4.020 4.034 -0.014 1
1 751 . 10 1 1 A 88 88 GLY HA3 H 66 2.360 4.062 -1.702 1
1 752 . 10 1 1 A 88 88 GLY C C 66 172.250 172.928 -0.678 1
1 753 . 10 1 1 A 88 88 GLY CA C 66 43.910 44.698 -0.788 1
1 754 . 10 1 1 A 88 88 GLY N N 66 105.700 111.871 -6.171 1
1 755 . 10 1 1 A 89 89 GLU H H 67 9.230 8.804 0.426 1
1 756 . 10 1 1 A 89 89 GLU HA H 67 5.100 5.483 -0.383 1
1 761 . 10 1 1 A 89 89 GLU C C 67 175.770 174.813 0.957 1
1 762 . 10 1 1 A 89 89 GLU CA C 67 54.540 54.807 -0.267 1
1 763 . 10 1 1 A 89 89 GLU CB C 67 34.710 33.288 1.422 1
1 765 . 10 1 1 A 89 89 GLU N N 67 117.210 121.867 -4.657 1
1 766 . 10 1 1 A 90 90 LEU H H 68 8.470 8.992 -0.522 1
1 767 . 10 1 1 A 90 90 LEU HA H 68 5.050 5.005 0.045 1
1 777 . 10 1 1 A 90 90 LEU C C 68 175.460 174.902 0.558 1
1 778 . 10 1 1 A 90 90 LEU CA C 68 54.160 53.894 0.266 1
1 779 . 10 1 1 A 90 90 LEU CB C 68 44.250 45.001 -0.751 1
1 783 . 10 1 1 A 90 90 LEU N N 68 120.420 125.449 -5.029 1
1 784 . 10 1 1 A 91 91 ALA H H 69 8.880 8.987 -0.107 1
1 785 . 10 1 1 A 91 91 ALA HA H 69 5.990 5.287 0.703 1
1 789 . 10 1 1 A 91 91 ALA C C 69 175.300 176.291 -0.991 1
1 790 . 10 1 1 A 91 91 ALA CA C 69 50.340 50.551 -0.211 1
1 791 . 10 1 1 A 91 91 ALA CB C 69 21.140 20.606 0.534 1
1 792 . 10 1 1 A 91 91 ALA N N 69 124.720 130.719 -5.999 1
1 793 . 10 1 1 A 92 92 PHE H H 70 10.090 9.646 0.444 1
1 794 . 10 1 1 A 92 92 PHE HA H 70 4.700 5.218 -0.518 1
1 802 . 10 1 1 A 92 92 PHE CA C 70 56.580 56.633 -0.053 1
1 803 . 10 1 1 A 92 92 PHE CB C 70 40.490 40.164 0.326 1
1 807 . 10 1 1 A 92 92 PHE N N 70 122.920 122.845 0.075 1
1 808 . 10 1 1 A 93 93 ARG H H 71 9.030 9.098 -0.068 1
1 809 . 10 1 1 A 93 93 ARG HA H 71 4.460 4.465 -0.005 1
1 816 . 10 1 1 A 93 93 ARG C C 71 176.910 175.877 1.033 1
1 817 . 10 1 1 A 93 93 ARG CA C 71 55.080 55.952 -0.872 1
1 818 . 10 1 1 A 93 93 ARG CB C 71 31.950 31.233 0.717 1
1 821 . 10 1 1 A 93 93 ARG N N 71 125.390 124.826 0.564 1
1 822 . 10 1 1 A 94 94 VAL H H 72 8.470 8.242 0.228 1
1 823 . 10 1 1 A 94 94 VAL HA H 72 4.820 4.739 0.081 1
1 831 . 10 1 1 A 94 94 VAL C C 72 176.320 176.137 0.183 1
1 832 . 10 1 1 A 94 94 VAL CA C 72 59.190 58.929 0.261 1
1 833 . 10 1 1 A 94 94 VAL CB C 72 32.550 34.653 -2.103 1
1 836 . 10 1 1 A 94 94 VAL N N 72 119.430 119.716 -0.286 1
1 837 . 10 1 1 A 95 95 GLU H H 73 8.160 8.846 -0.686 1
1 838 . 10 1 1 A 95 95 GLU HA H 73 3.940 4.215 -0.275 1
1 843 . 10 1 1 A 95 95 GLU C C 73 176.560 176.477 0.083 1
1 844 . 10 1 1 A 95 95 GLU CA C 73 59.620 58.273 1.347 1
1 845 . 10 1 1 A 95 95 GLU CB C 73 31.400 29.569 1.831 1
1 847 . 10 1 1 A 95 95 GLU N N 73 116.510 120.500 -3.990 1
1 848 . 10 1 1 A 96 96 ASN H H 74 7.240 7.790 -0.550 1
1 849 . 10 1 1 A 96 96 ASN HA H 74 4.780 5.026 -0.246 1
1 854 . 10 1 1 A 96 96 ASN C C 74 174.960 174.639 0.321 1
1 855 . 10 1 1 A 96 96 ASN CA C 74 51.570 52.539 -0.969 1
1 856 . 10 1 1 A 96 96 ASN CB C 74 40.130 39.633 0.497 1
1 857 . 10 1 1 A 96 96 ASN N N 74 108.930 114.157 -5.227 1
1 859 . 10 1 1 A 97 97 ASP H H 75 8.330 9.093 -0.763 1
1 860 . 10 1 1 A 97 97 ASP HA H 75 4.190 4.463 -0.273 1
1 863 . 10 1 1 A 97 97 ASP C C 75 177.800 178.580 -0.780 1
1 864 . 10 1 1 A 97 97 ASP CA C 75 57.780 56.700 1.080 1
1 865 . 10 1 1 A 97 97 ASP CB C 75 39.230 39.447 -0.217 1
1 866 . 10 1 1 A 97 97 ASP N N 75 120.390 118.348 2.042 1
1 867 . 10 1 1 A 98 98 ALA H H 76 8.090 8.058 0.032 1
1 868 . 10 1 1 A 98 98 ALA HA H 76 4.210 4.052 0.158 1
1 872 . 10 1 1 A 98 98 ALA C C 76 181.130 179.910 1.220 1
1 873 . 10 1 1 A 98 98 ALA CA C 76 55.160 54.925 0.235 1
1 874 . 10 1 1 A 98 98 ALA CB C 76 17.440 18.064 -0.624 1
1 875 . 10 1 1 A 98 98 ALA N N 76 122.660 121.738 0.922 1
1 876 . 10 1 1 A 99 99 GLN H H 77 8.110 7.492 0.618 1
1 877 . 10 1 1 A 99 99 GLN HA H 77 4.170 4.063 0.107 1
1 884 . 10 1 1 A 99 99 GLN C C 77 180.190 178.572 1.618 1
1 885 . 10 1 1 A 99 99 GLN CA C 77 58.680 58.605 0.075 1
1 886 . 10 1 1 A 99 99 GLN CB C 77 28.590 28.540 0.050 1
1 888 . 10 1 1 A 99 99 GLN N N 77 116.870 118.228 -1.358 1
1 890 . 10 1 1 A 100 100 VAL H H 78 7.860 7.450 0.410 1
1 891 . 10 1 1 A 100 100 VAL HA H 78 3.400 3.540 -0.140 1
1 899 . 10 1 1 A 100 100 VAL C C 78 177.510 177.840 -0.330 1
1 900 . 10 1 1 A 100 100 VAL CA C 78 67.800 66.310 1.490 1
1 901 . 10 1 1 A 100 100 VAL CB C 78 30.810 31.667 -0.857 1
1 904 . 10 1 1 A 100 100 VAL N N 78 125.200 121.103 4.097 1
1 905 . 10 1 1 A 101 101 ASP H H 79 7.810 7.888 -0.078 1
1 906 . 10 1 1 A 101 101 ASP HA H 79 4.420 4.203 0.217 1
1 909 . 10 1 1 A 101 101 ASP C C 79 175.010 178.534 -3.524 1
1 910 . 10 1 1 A 101 101 ASP CA C 79 58.490 57.440 1.050 1
1 911 . 10 1 1 A 101 101 ASP CB C 79 40.400 40.997 -0.597 1
1 912 . 10 1 1 A 101 101 ASP N N 79 119.560 120.336 -0.776 1
1 913 . 10 1 1 A 102 102 GLU H H 80 8.620 7.979 0.641 1
1 914 . 10 1 1 A 102 102 GLU HA H 80 4.080 4.030 0.050 1
1 919 . 10 1 1 A 102 102 GLU C C 80 179.540 179.436 0.104 1
1 920 . 10 1 1 A 102 102 GLU CA C 80 59.470 59.330 0.140 1
1 921 . 10 1 1 A 102 102 GLU CB C 80 30.210 29.331 0.879 1
1 923 . 10 1 1 A 102 102 GLU N N 80 121.400 118.800 2.600 1
1 924 . 10 1 1 A 103 103 THR H H 81 8.120 7.567 0.553 1
1 925 . 10 1 1 A 103 103 THR HA H 81 3.660 3.725 -0.065 1
1 930 . 10 1 1 A 103 103 THR C C 81 174.440 176.165 -1.725 1
1 931 . 10 1 1 A 103 103 THR CA C 81 66.990 65.789 1.201 1
1 932 . 10 1 1 A 103 103 THR CB C 81 68.070 67.998 0.072 1
1 934 . 10 1 1 A 103 103 THR N N 81 118.770 118.608 0.162 1
1 935 . 10 1 1 A 104 104 PHE H H 82 8.340 7.955 0.385 1
1 936 . 10 1 1 A 104 104 PHE HA H 82 3.030 3.579 -0.549 1
1 943 . 10 1 1 A 104 104 PHE C C 82 176.050 176.818 -0.768 1
1 944 . 10 1 1 A 104 104 PHE CA C 82 61.480 61.830 -0.350 1
1 945 . 10 1 1 A 104 104 PHE CB C 82 38.550 38.736 -0.186 1
1 948 . 10 1 1 A 104 104 PHE N N 82 122.350 121.554 0.796 1
1 949 . 10 1 1 A 105 105 ALA H H 83 7.780 8.247 -0.467 1
1 950 . 10 1 1 A 105 105 ALA HA H 83 3.680 4.099 -0.419 1
1 954 . 10 1 1 A 105 105 ALA C C 83 181.410 179.860 1.550 1
1 955 . 10 1 1 A 105 105 ALA CA C 83 54.880 55.032 -0.152 1
1 956 . 10 1 1 A 105 105 ALA CB C 83 18.080 18.376 -0.296 1
1 957 . 10 1 1 A 105 105 ALA N N 83 118.740 121.110 -2.370 1
1 958 . 10 1 1 A 106 106 GLY H H 84 8.120 8.102 0.018 1
1 959 . 10 1 1 A 106 106 GLY HA2 H 84 3.910 3.580 0.330 1
1 960 . 10 1 1 A 106 106 GLY HA3 H 84 3.810 3.581 0.229 1
1 961 . 10 1 1 A 106 106 GLY C C 84 176.780 177.270 -0.490 1
1 962 . 10 1 1 A 106 106 GLY CA C 84 46.910 47.030 -0.120 1
1 963 . 10 1 1 A 106 106 GLY N N 84 107.090 105.084 2.006 1
1 964 . 10 1 1 A 107 107 TRP H H 85 9.240 7.800 1.440 1
1 965 . 10 1 1 A 107 107 TRP HA H 85 4.440 4.523 -0.083 1
1 972 . 10 1 1 A 107 107 TRP C C 85 179.210 178.357 0.853 1
1 973 . 10 1 1 A 107 107 TRP CA C 85 59.190 60.532 -1.342 1
1 974 . 10 1 1 A 107 107 TRP CB C 85 28.450 28.742 -0.292 1
1 978 . 10 1 1 A 107 107 TRP N N 85 124.820 122.003 2.817 1
1 980 . 10 1 1 A 108 108 LYS H H 86 8.610 8.121 0.489 1
1 981 . 10 1 1 A 108 108 LYS HA H 86 3.920 3.903 0.017 1
1 990 . 10 1 1 A 108 108 LYS C C 86 180.980 178.740 2.240 1
1 991 . 10 1 1 A 108 108 LYS CA C 86 60.040 59.339 0.701 1
1 992 . 10 1 1 A 108 108 LYS CB C 86 31.850 32.273 -0.423 1
1 996 . 10 1 1 A 108 108 LYS N N 86 121.490 120.748 0.742 1
1 997 . 10 1 1 A 109 109 ALA H H 87 7.890 7.869 0.021 1
1 998 . 10 1 1 A 109 109 ALA HA H 87 4.150 4.150 0.000 1
1 1002 . 10 1 1 A 109 109 ALA C C 87 179.050 178.597 0.453 1
1 1003 . 10 1 1 A 109 109 ALA CA C 87 54.670 54.561 0.109 1
1 1004 . 10 1 1 A 109 109 ALA CB C 87 18.010 18.205 -0.195 1
1 1005 . 10 1 1 A 109 109 ALA N N 87 121.920 121.454 0.466 1
1 1006 . 10 1 1 A 110 110 SER H H 88 7.510 7.455 0.055 1
1 1007 . 10 1 1 A 110 110 SER HA H 88 4.450 4.591 -0.141 1
1 1010 . 10 1 1 A 110 110 SER C C 88 174.140 174.756 -0.616 1
1 1011 . 10 1 1 A 110 110 SER CA C 88 58.750 58.267 0.483 1
1 1012 . 10 1 1 A 110 110 SER CB C 88 63.950 63.372 0.578 1
1 1013 . 10 1 1 A 110 110 SER N N 88 112.390 111.475 0.915 1
1 1014 . 10 1 1 A 111 111 GLY H H 89 7.790 8.008 -0.218 1
1 1015 . 10 1 1 A 111 111 GLY HA2 H 89 4.180 3.977 0.203 1
1 1016 . 10 1 1 A 111 111 GLY HA3 H 89 3.700 4.023 -0.323 1
1 1017 . 10 1 1 A 111 111 GLY C C 89 174.520 174.546 -0.026 1
1 1018 . 10 1 1 A 111 111 GLY CA C 89 45.530 46.789 -1.259 1
1 1019 . 10 1 1 A 111 111 GLY N N 89 108.220 110.146 -1.926 1
1 1020 . 10 1 1 A 112 112 VAL H H 90 7.660 7.444 0.216 1
1 1021 . 10 1 1 A 112 112 VAL HA H 90 3.830 4.230 -0.400 1
1 1029 . 10 1 1 A 112 112 VAL C C 90 175.430 177.155 -1.725 1
1 1030 . 10 1 1 A 112 112 VAL CA C 90 63.880 60.130 3.750 1
1 1031 . 10 1 1 A 112 112 VAL CB C 90 32.040 33.567 -1.527 1
1 1034 . 10 1 1 A 112 112 VAL N N 90 122.880 119.700 3.180 1
1 1035 . 10 1 1 A 113 113 ALA H H 91 8.720 8.482 0.238 1
1 1036 . 10 1 1 A 113 113 ALA HA H 91 4.210 3.920 0.290 1
1 1040 . 10 1 1 A 113 113 ALA C C 91 176.290 177.695 -1.405 1
1 1041 . 10 1 1 A 113 113 ALA CA C 91 52.900 54.123 -1.223 1
1 1042 . 10 1 1 A 113 113 ALA CB C 91 19.290 19.248 0.042 1
1 1043 . 10 1 1 A 113 113 ALA N N 91 132.080 130.156 1.924 1
1 1044 . 10 1 1 A 114 114 MET H H 92 8.260 8.105 0.155 1
1 1045 . 10 1 1 A 114 114 MET HA H 92 5.330 4.214 1.116 1
1 1051 . 10 1 1 A 114 114 MET C C 92 176.780 176.043 0.737 1
1 1052 . 10 1 1 A 114 114 MET CA C 92 53.390 56.236 -2.846 1
1 1053 . 10 1 1 A 114 114 MET CB C 92 33.450 31.147 2.303 1
1 1055 . 10 1 1 A 114 114 MET N N 92 116.930 116.400 0.530 1
1 1056 . 10 1 1 A 115 115 LEU H H 93 8.990 8.145 0.845 1
1 1057 . 10 1 1 A 115 115 LEU HA H 93 4.550 5.011 -0.461 1
1 1067 . 10 1 1 A 115 115 LEU C C 93 176.630 175.544 1.086 1
1 1068 . 10 1 1 A 115 115 LEU CA C 93 55.140 53.422 1.718 1
1 1069 . 10 1 1 A 115 115 LEU CB C 93 44.810 42.866 1.944 1
1 1073 . 10 1 1 A 115 115 LEU N N 93 122.250 116.544 5.706 1
1 1074 . 10 1 1 A 116 116 GLN H H 94 8.280 8.540 -0.260 1
1 1075 . 10 1 1 A 116 116 GLN HA H 94 4.700 4.795 -0.095 1
1 1080 . 10 1 1 A 116 116 GLN C C 94 174.860 173.993 0.867 1
1 1081 . 10 1 1 A 116 116 GLN CA C 94 55.600 55.978 -0.378 1
1 1082 . 10 1 1 A 116 116 GLN CB C 94 33.510 33.183 0.327 1
1 1083 . 10 1 1 A 116 116 GLN N N 94 121.140 123.236 -2.096 1
1 1085 . 10 1 1 A 117 117 GLN H H 95 8.490 8.648 -0.158 1
1 1086 . 10 1 1 A 117 117 GLN HA H 95 4.080 4.928 -0.848 1
1 1093 . 10 1 1 A 117 117 GLN CA C 95 54.860 52.611 2.249 1
1 1094 . 10 1 1 A 117 117 GLN CB C 95 26.550 29.287 -2.737 1
1 1096 . 10 1 1 A 117 117 GLN N N 95 125.610 124.584 1.026 1
1 1098 . 10 1 1 A 118 118 PRO HA H 96 4.410 4.527 -0.117 1
1 1103 . 10 1 1 A 118 118 PRO C C 96 176.290 175.559 0.731 1
1 1104 . 10 1 1 A 118 118 PRO CA C 96 64.130 62.993 1.137 1
1 1105 . 10 1 1 A 118 118 PRO CB C 96 30.550 31.733 -1.183 1
1 1107 . 10 1 1 A 119 119 ALA H H 97 8.980 8.231 0.749 1
1 1108 . 10 1 1 A 119 119 ALA HA H 97 4.550 4.818 -0.268 1
1 1112 . 10 1 1 A 119 119 ALA C C 97 175.820 175.630 0.190 1
1 1113 . 10 1 1 A 119 119 ALA CA C 97 51.100 50.370 0.730 1
1 1114 . 10 1 1 A 119 119 ALA CB C 97 22.150 23.059 -0.909 1
1 1115 . 10 1 1 A 119 119 ALA N N 97 126.580 125.684 0.896 1
1 1116 . 10 1 1 A 120 120 LYS H H 98 8.710 8.636 0.074 1
1 1117 . 10 1 1 A 120 120 LYS HA H 98 4.450 4.568 -0.118 1
1 1126 . 10 1 1 A 120 120 LYS C C 98 175.950 175.764 0.186 1
1 1127 . 10 1 1 A 120 120 LYS CA C 98 56.360 56.505 -0.145 1
1 1128 . 10 1 1 A 120 120 LYS CB C 98 32.090 33.030 -0.940 1
1 1132 . 10 1 1 A 120 120 LYS N N 98 121.330 122.224 -0.894 1
1 1133 . 10 1 1 A 121 121 MET H H 99 8.130 8.652 -0.522 1
1 1138 . 10 1 1 A 121 121 MET N N 99 125.590 125.218 0.372 1
1 1139 . 10 1 1 A 122 122 GLU HA H 100 3.890 3.783 0.107 1
1 1144 . 10 1 1 A 122 122 GLU C C 100 176.450 177.136 -0.686 1
1 1145 . 10 1 1 A 122 122 GLU CA C 100 59.740 59.045 0.695 1
1 1146 . 10 1 1 A 122 122 GLU CB C 100 29.200 28.780 0.420 1
1 1148 . 10 1 1 A 123 123 PHE H H 101 6.120 7.459 -1.339 1
1 1149 . 10 1 1 A 123 123 PHE HA H 101 4.430 4.599 -0.169 1
1 1152 . 10 1 1 A 123 123 PHE C C 101 173.950 175.183 -1.233 1
1 1153 . 10 1 1 A 123 123 PHE CA C 101 54.750 58.025 -3.275 1
1 1154 . 10 1 1 A 123 123 PHE CB C 101 38.630 39.701 -1.071 1
1 1155 . 10 1 1 A 123 123 PHE N N 101 108.900 114.623 -5.723 1
1 1156 . 10 1 1 A 124 124 GLY H H 102 6.670 7.105 -0.435 1
1 1157 . 10 1 1 A 124 124 GLY HA2 H 102 4.780 4.163 0.617 1
1 1158 . 10 1 1 A 124 124 GLY HA3 H 102 3.770 4.280 -0.510 1
1 1159 . 10 1 1 A 124 124 GLY C C 102 170.410 171.753 -1.343 1
1 1160 . 10 1 1 A 124 124 GLY CA C 102 44.570 44.490 0.080 1
1 1161 . 10 1 1 A 124 124 GLY N N 102 108.900 106.765 2.135 1
1 1162 . 10 1 1 A 125 125 TYR H H 103 8.210 8.304 -0.094 1
1 1163 . 10 1 1 A 125 125 TYR HA H 103 5.080 4.936 0.144 1
1 1170 . 10 1 1 A 125 125 TYR C C 103 175.980 174.285 1.695 1
1 1171 . 10 1 1 A 125 125 TYR CA C 103 56.530 56.970 -0.440 1
1 1172 . 10 1 1 A 125 125 TYR CB C 103 40.180 38.960 1.220 1
1 1175 . 10 1 1 A 125 125 TYR N N 103 123.360 121.707 1.653 1
1 1176 . 10 1 1 A 126 126 THR H H 104 8.450 8.574 -0.124 1
1 1177 . 10 1 1 A 126 126 THR HA H 104 5.630 5.434 0.196 1
1 1182 . 10 1 1 A 126 126 THR C C 104 170.010 172.208 -2.198 1
1 1183 . 10 1 1 A 126 126 THR CA C 104 58.490 59.634 -1.144 1
1 1184 . 10 1 1 A 126 126 THR CB C 104 72.110 72.647 -0.537 1
1 1186 . 10 1 1 A 126 126 THR N N 104 120.720 121.965 -1.245 1
1 1187 . 10 1 1 A 127 127 PHE H H 105 8.170 8.960 -0.790 1
1 1188 . 10 1 1 A 127 127 PHE HA H 105 4.620 5.383 -0.763 1
1 1195 . 10 1 1 A 127 127 PHE C C 105 172.490 173.209 -0.719 1
1 1196 . 10 1 1 A 127 127 PHE CA C 105 56.610 57.397 -0.787 1
1 1197 . 10 1 1 A 127 127 PHE CB C 105 41.710 43.350 -1.640 1
1 1200 . 10 1 1 A 127 127 PHE N N 105 120.530 125.736 -5.206 1
1 1201 . 10 1 1 A 128 128 THR H H 106 8.450 8.371 0.079 1
1 1202 . 10 1 1 A 128 128 THR HA H 106 5.090 4.782 0.308 1
1 1207 . 10 1 1 A 128 128 THR C C 106 172.750 173.147 -0.397 1
1 1208 . 10 1 1 A 128 128 THR CA C 106 63.340 60.724 2.616 1
1 1209 . 10 1 1 A 128 128 THR CB C 106 70.420 71.719 -1.299 1
1 1211 . 10 1 1 A 128 128 THR N N 106 114.010 118.373 -4.363 1
1 1212 . 10 1 1 A 129 129 ALA H H 107 10.030 9.050 0.980 1
1 1213 . 10 1 1 A 129 129 ALA HA H 107 5.540 5.293 0.247 1
1 1217 . 10 1 1 A 129 129 ALA C C 107 179.620 175.645 3.975 1
1 1218 . 10 1 1 A 129 129 ALA CA C 107 50.640 50.267 0.373 1
1 1219 . 10 1 1 A 129 129 ALA CB C 107 24.570 22.562 2.008 1
1 1220 . 10 1 1 A 129 129 ALA N N 107 135.110 129.249 5.861 1
1 1221 . 10 1 1 A 130 130 ALA H H 108 8.650 8.823 -0.173 1
1 1222 . 10 1 1 A 130 130 ALA HA H 108 5.380 5.212 0.168 1
1 1226 . 10 1 1 A 130 130 ALA C C 108 175.480 176.431 -0.951 1
1 1227 . 10 1 1 A 130 130 ALA CA C 108 50.100 50.113 -0.013 1
1 1228 . 10 1 1 A 130 130 ALA CB C 108 22.770 21.633 1.137 1
1 1229 . 10 1 1 A 130 130 ALA N N 108 121.150 121.291 -0.141 1
1 1230 . 10 1 1 A 131 131 ASP H H 109 8.770 8.687 0.083 1
1 1231 . 10 1 1 A 131 131 ASP HA H 109 3.910 4.566 -0.656 1
1 1234 . 10 1 1 A 131 131 ASP CA C 109 51.290 52.274 -0.984 1
1 1235 . 10 1 1 A 131 131 ASP CB C 109 41.350 40.808 0.542 1
1 1236 . 10 1 1 A 131 131 ASP N N 109 123.100 124.368 -1.268 1
1 1237 . 10 1 1 A 132 132 PRO HA H 110 4.140 4.164 -0.024 1
1 1242 . 10 1 1 A 132 132 PRO C C 110 176.890 177.384 -0.494 1
1 1243 . 10 1 1 A 132 132 PRO CA C 110 65.730 65.347 0.383 1
1 1244 . 10 1 1 A 132 132 PRO CB C 110 31.850 31.251 0.599 1
1 1246 . 10 1 1 A 133 133 ASP H H 111 8.740 7.006 1.734 1
1 1247 . 10 1 1 A 133 133 ASP HA H 111 4.800 4.569 0.231 1
1 1250 . 10 1 1 A 133 133 ASP C C 111 173.720 174.974 -1.254 1
1 1251 . 10 1 1 A 133 133 ASP CA C 111 54.140 53.357 0.783 1
1 1252 . 10 1 1 A 133 133 ASP CB C 111 42.910 40.765 2.145 1
1 1253 . 10 1 1 A 133 133 ASP N N 111 118.220 115.229 2.991 1
1 1254 . 10 1 1 A 134 134 SER H H 112 8.370 7.648 0.722 1
1 1255 . 10 1 1 A 134 134 SER HA H 112 3.710 4.057 -0.347 1
1 1258 . 10 1 1 A 134 134 SER CA C 112 60.670 58.809 1.861 1
1 1259 . 10 1 1 A 134 134 SER CB C 112 61.430 61.021 0.409 1
1 1260 . 10 1 1 A 134 134 SER N N 112 109.220 111.967 -2.747 1
1 1261 . 10 1 1 A 135 135 HIS H H 113 8.850 7.275 1.575 1
1 1268 . 10 1 1 A 135 135 HIS N N 113 122.820 118.442 4.378 1
1 1269 . 10 1 1 A 136 136 ARG HA H 114 4.680 4.782 -0.102 1
1 1270 . 10 1 1 A 136 136 ARG C C 114 175.220 174.742 0.478 1
1 1271 . 10 1 1 A 136 136 ARG CA C 114 57.560 55.272 2.288 1
1 1272 . 10 1 1 A 137 137 LEU H H 115 8.680 8.726 -0.046 1
1 1273 . 10 1 1 A 137 137 LEU HA H 115 5.490 5.288 0.202 1
1 1282 . 10 1 1 A 137 137 LEU C C 115 174.620 176.105 -1.485 1
1 1283 . 10 1 1 A 137 137 LEU CA C 115 52.580 54.208 -1.628 1
1 1284 . 10 1 1 A 137 137 LEU CB C 115 43.070 42.260 0.810 1
1 1287 . 10 1 1 A 137 137 LEU N N 115 123.990 127.227 -3.237 1
1 1288 . 10 1 1 A 138 138 ARG H H 116 9.510 9.285 0.225 1
1 1289 . 10 1 1 A 138 138 ARG HA H 116 5.120 5.100 0.020 1
1 1292 . 10 1 1 A 138 138 ARG C C 116 175.090 175.343 -0.253 1
1 1293 . 10 1 1 A 138 138 ARG CA C 116 54.700 54.953 -0.253 1
1 1294 . 10 1 1 A 138 138 ARG CB C 116 33.480 33.095 0.385 1
1 1295 . 10 1 1 A 138 138 ARG N N 116 125.370 124.897 0.473 1
1 1296 . 10 1 1 A 139 139 VAL H H 117 7.970 8.839 -0.869 1
1 1297 . 10 1 1 A 139 139 VAL HA H 117 5.280 5.334 -0.054 1
1 1305 . 10 1 1 A 139 139 VAL C C 117 176.390 175.100 1.290 1
1 1306 . 10 1 1 A 139 139 VAL CA C 117 60.090 61.356 -1.266 1
1 1307 . 10 1 1 A 139 139 VAL CB C 117 32.690 34.424 -1.734 1
1 1310 . 10 1 1 A 139 139 VAL N N 117 128.260 122.115 6.145 1
1 1311 . 10 1 1 A 140 140 TYR H H 118 9.200 8.815 0.385 1
1 1312 . 10 1 1 A 140 140 TYR HA H 118 5.800 5.862 -0.062 1
1 1319 . 10 1 1 A 140 140 TYR C C 118 170.820 172.961 -2.141 1
1 1320 . 10 1 1 A 140 140 TYR CA C 118 56.060 55.225 0.835 1
1 1321 . 10 1 1 A 140 140 TYR CB C 118 42.460 41.904 0.556 1
1 1324 . 10 1 1 A 140 140 TYR N N 118 127.020 123.787 3.233 1
1 1325 . 10 1 1 A 141 141 ALA H H 119 8.330 9.120 -0.790 1
1 1326 . 10 1 1 A 141 141 ALA HA H 119 4.560 5.115 -0.555 1
1 1330 . 10 1 1 A 141 141 ALA C C 119 177.150 176.166 0.984 1
1 1331 . 10 1 1 A 141 141 ALA CA C 119 50.530 50.305 0.225 1
1 1332 . 10 1 1 A 141 141 ALA CB C 119 21.220 21.074 0.146 1
1 1333 . 10 1 1 A 141 141 ALA N N 119 121.160 123.067 -1.907 1
1 1334 . 10 1 1 A 142 142 PHE H H 120 8.780 9.059 -0.279 1
1 1335 . 10 1 1 A 142 142 PHE HA H 120 4.910 4.876 0.034 1
1 1340 . 10 1 1 A 142 142 PHE C C 120 175.090 174.287 0.803 1
1 1341 . 10 1 1 A 142 142 PHE CA C 120 57.720 57.275 0.445 1
1 1342 . 10 1 1 A 142 142 PHE CB C 120 40.810 39.238 1.572 1
1 1344 . 10 1 1 A 142 142 PHE N N 120 122.630 125.958 -3.328 1
1 1345 . 10 1 1 A 143 143 ALA H H 121 8.190 8.448 -0.258 1
1 1346 . 10 1 1 A 143 143 ALA HA H 121 4.330 4.355 -0.025 1
1 1350 . 10 1 1 A 143 143 ALA C C 121 176.260 176.941 -0.681 1
1 1351 . 10 1 1 A 143 143 ALA CA C 121 52.280 52.322 -0.042 1
1 1352 . 10 1 1 A 143 143 ALA CB C 121 19.310 18.446 0.864 1
1 1353 . 10 1 1 A 143 143 ALA N N 121 129.460 130.108 -0.648 1
1 16 . 11 1 1 A 24 24 THR H H 2 8.350 8.004 0.346 1
1 17 . 11 1 1 A 24 24 THR HA H 2 4.470 4.289 0.181 1
1 22 . 11 1 1 A 24 24 THR CA C 2 61.890 62.974 -1.084 1
1 23 . 11 1 1 A 24 24 THR CB C 2 69.630 69.738 -0.108 1
1 25 . 11 1 1 A 24 24 THR N N 2 117.720 113.674 4.046 1
1 26 . 11 1 1 A 25 25 HIS H H 3 8.630 8.781 -0.151 1
1 27 . 11 1 1 A 25 25 HIS HA H 3 5.200 4.933 0.267 1
1 30 . 11 1 1 A 25 25 HIS CA C 3 51.620 53.735 -2.115 1
1 31 . 11 1 1 A 25 25 HIS CB C 3 33.320 31.473 1.847 1
1 32 . 11 1 1 A 25 25 HIS N N 3 124.890 123.464 1.426 1
1 33 . 11 1 1 A 26 26 PRO HA H 4 4.170 4.740 -0.570 1
1 40 . 11 1 1 A 26 26 PRO C C 4 175.740 176.820 -1.080 1
1 41 . 11 1 1 A 26 26 PRO CA C 4 62.740 62.120 0.620 1
1 42 . 11 1 1 A 26 26 PRO CB C 4 31.460 29.519 1.941 1
1 45 . 11 1 1 A 27 27 ASP H H 5 8.270 8.471 -0.201 1
1 46 . 11 1 1 A 27 27 ASP HA H 5 4.810 4.593 0.217 1
1 49 . 11 1 1 A 27 27 ASP C C 5 175.400 175.621 -0.221 1
1 50 . 11 1 1 A 27 27 ASP CA C 5 53.310 54.386 -1.076 1
1 51 . 11 1 1 A 27 27 ASP CB C 5 42.390 39.967 2.423 1
1 52 . 11 1 1 A 27 27 ASP N N 5 119.440 121.719 -2.279 1
1 53 . 11 1 1 A 28 28 PHE H H 6 7.280 7.886 -0.606 1
1 54 . 11 1 1 A 28 28 PHE HA H 6 5.440 5.202 0.238 1
1 61 . 11 1 1 A 28 28 PHE C C 6 174.180 173.261 0.919 1
1 62 . 11 1 1 A 28 28 PHE CA C 6 54.590 55.419 -0.829 1
1 63 . 11 1 1 A 28 28 PHE CB C 6 42.310 41.866 0.444 1
1 66 . 11 1 1 A 28 28 PHE N N 6 118.410 120.698 -2.288 1
1 67 . 11 1 1 A 29 29 THR H H 7 8.500 9.340 -0.840 1
1 68 . 11 1 1 A 29 29 THR HA H 7 4.800 5.233 -0.433 1
1 73 . 11 1 1 A 29 29 THR C C 7 172.280 172.773 -0.493 1
1 74 . 11 1 1 A 29 29 THR CA C 7 62.550 59.909 2.641 1
1 75 . 11 1 1 A 29 29 THR CB C 7 70.420 71.239 -0.819 1
1 77 . 11 1 1 A 29 29 THR N N 7 123.070 122.492 0.578 1
1 78 . 11 1 1 A 30 30 ILE H H 8 9.270 9.185 0.085 1
1 79 . 11 1 1 A 30 30 ILE HA H 8 4.680 4.979 -0.299 1
1 89 . 11 1 1 A 30 30 ILE C C 8 173.970 174.962 -0.992 1
1 90 . 11 1 1 A 30 30 ILE CA C 8 59.220 59.862 -0.642 1
1 91 . 11 1 1 A 30 30 ILE CB C 8 40.210 39.812 0.398 1
1 95 . 11 1 1 A 30 30 ILE N N 8 126.920 128.210 -1.290 1
1 96 . 11 1 1 A 31 31 LEU H H 9 8.760 8.993 -0.233 1
1 97 . 11 1 1 A 31 31 LEU HA H 9 4.330 4.893 -0.563 1
1 107 . 11 1 1 A 31 31 LEU C C 9 176.520 175.807 0.713 1
1 108 . 11 1 1 A 31 31 LEU CA C 9 52.960 53.976 -1.016 1
1 109 . 11 1 1 A 31 31 LEU CB C 9 41.820 43.326 -1.506 1
1 113 . 11 1 1 A 31 31 LEU N N 9 126.000 127.869 -1.869 1
1 114 . 11 1 1 A 32 32 TYR H H 10 8.190 8.892 -0.702 1
1 115 . 11 1 1 A 32 32 TYR HA H 10 5.980 5.238 0.742 1
1 118 . 11 1 1 A 32 32 TYR C C 10 177.720 174.506 3.214 1
1 119 . 11 1 1 A 32 32 TYR CA C 10 53.120 55.844 -2.724 1
1 120 . 11 1 1 A 32 32 TYR CB C 10 36.560 40.287 -3.727 1
1 121 . 11 1 1 A 32 32 TYR N N 10 122.130 125.028 -2.898 1
1 122 . 11 1 1 A 33 33 VAL H H 11 8.470 8.792 -0.322 1
1 123 . 11 1 1 A 33 33 VAL HA H 11 4.990 5.149 -0.159 1
1 131 . 11 1 1 A 33 33 VAL C C 11 176.030 175.020 1.010 1
1 132 . 11 1 1 A 33 33 VAL CA C 11 58.240 59.052 -0.812 1
1 133 . 11 1 1 A 33 33 VAL CB C 11 35.090 34.903 0.187 1
1 136 . 11 1 1 A 33 33 VAL N N 11 113.820 122.581 -8.761 1
1 137 . 11 1 1 A 34 34 ASP H H 12 9.750 8.751 0.999 1
1 138 . 11 1 1 A 34 34 ASP HA H 12 4.550 4.663 -0.113 1
1 141 . 11 1 1 A 34 34 ASP C C 12 177.230 175.921 1.309 1
1 142 . 11 1 1 A 34 34 ASP CA C 12 58.000 54.775 3.225 1
1 143 . 11 1 1 A 34 34 ASP CB C 12 42.780 41.998 0.782 1
1 144 . 11 1 1 A 34 34 ASP N N 12 124.140 120.527 3.613 1
1 145 . 11 1 1 A 35 35 ASN H H 13 9.250 7.695 1.555 1
1 146 . 11 1 1 A 35 35 ASN HA H 13 5.120 5.023 0.097 1
1 151 . 11 1 1 A 35 35 ASN CA C 13 50.610 49.877 0.733 1
1 152 . 11 1 1 A 35 35 ASN CB C 13 39.920 39.039 0.881 1
1 153 . 11 1 1 A 35 35 ASN N N 13 114.460 118.532 -4.072 1
1 155 . 11 1 1 A 37 37 PRO HA H 15 4.350 4.286 0.064 1
1 162 . 11 1 1 A 37 37 PRO C C 15 179.310 179.139 0.171 1
1 163 . 11 1 1 A 37 37 PRO CA C 15 67.480 66.505 0.975 1
1 164 . 11 1 1 A 37 37 PRO CB C 15 31.340 30.861 0.479 1
1 167 . 11 1 1 A 38 38 ALA H H 16 7.740 8.299 -0.559 1
1 168 . 11 1 1 A 38 38 ALA HA H 16 4.310 4.088 0.222 1
1 172 . 11 1 1 A 38 38 ALA C C 16 182.490 180.104 2.386 1
1 173 . 11 1 1 A 38 38 ALA CA C 16 55.160 55.530 -0.370 1
1 174 . 11 1 1 A 38 38 ALA CB C 16 18.360 18.469 -0.109 1
1 175 . 11 1 1 A 38 38 ALA N N 16 121.510 119.226 2.284 1
1 176 . 11 1 1 A 39 39 SER H H 17 8.770 7.829 0.941 1
1 177 . 11 1 1 A 39 39 SER HA H 17 4.190 4.366 -0.176 1
1 180 . 11 1 1 A 39 39 SER C C 17 175.610 177.663 -2.053 1
1 181 . 11 1 1 A 39 39 SER CA C 17 64.260 61.707 2.553 1
1 182 . 11 1 1 A 39 39 SER CB C 17 62.790 62.937 -0.147 1
1 183 . 11 1 1 A 39 39 SER N N 17 117.520 113.453 4.067 1
1 184 . 11 1 1 A 40 40 THR H H 18 9.310 7.808 1.502 1
1 185 . 11 1 1 A 40 40 THR HA H 18 4.480 4.373 0.107 1
1 190 . 11 1 1 A 40 40 THR C C 18 175.590 177.078 -1.488 1
1 191 . 11 1 1 A 40 40 THR CA C 18 68.130 66.980 1.150 1
1 192 . 11 1 1 A 40 40 THR CB C 18 68.480 68.347 0.133 1
1 194 . 11 1 1 A 40 40 THR N N 18 120.600 117.964 2.636 1
1 195 . 11 1 1 A 41 41 GLN H H 19 7.610 8.030 -0.420 1
1 196 . 11 1 1 A 41 41 GLN HA H 19 4.080 4.147 -0.067 1
1 203 . 11 1 1 A 41 41 GLN C C 19 178.110 178.063 0.047 1
1 204 . 11 1 1 A 41 41 GLN CA C 19 59.170 59.005 0.165 1
1 205 . 11 1 1 A 41 41 GLN CB C 19 28.170 28.657 -0.487 1
1 207 . 11 1 1 A 41 41 GLN N N 19 120.130 120.391 -0.261 1
1 209 . 11 1 1 A 42 42 PHE H H 20 7.710 7.857 -0.147 1
1 210 . 11 1 1 A 42 42 PHE HA H 20 4.080 4.189 -0.109 1
1 218 . 11 1 1 A 42 42 PHE C C 20 177.460 176.965 0.495 1
1 219 . 11 1 1 A 42 42 PHE CA C 20 61.760 61.432 0.328 1
1 220 . 11 1 1 A 42 42 PHE CB C 20 38.590 38.976 -0.386 1
1 224 . 11 1 1 A 42 42 PHE N N 20 120.560 122.529 -1.969 1
1 225 . 11 1 1 A 43 43 TYR H H 21 8.890 8.277 0.613 1
1 226 . 11 1 1 A 43 43 TYR HA H 21 3.700 4.099 -0.399 1
1 233 . 11 1 1 A 43 43 TYR C C 21 177.640 178.019 -0.379 1
1 234 . 11 1 1 A 43 43 TYR CA C 21 64.290 61.815 2.475 1
1 235 . 11 1 1 A 43 43 TYR CB C 21 38.110 37.479 0.631 1
1 238 . 11 1 1 A 43 43 TYR N N 21 118.420 118.431 -0.011 1
1 239 . 11 1 1 A 44 44 LYS H H 22 8.860 8.012 0.848 1
1 240 . 11 1 1 A 44 44 LYS HA H 22 4.630 3.943 0.687 1
1 249 . 11 1 1 A 44 44 LYS C C 22 179.780 178.854 0.926 1
1 250 . 11 1 1 A 44 44 LYS CA C 22 59.630 59.548 0.082 1
1 251 . 11 1 1 A 44 44 LYS CB C 22 33.210 32.378 0.832 1
1 255 . 11 1 1 A 44 44 LYS N N 22 122.200 119.926 2.274 1
1 256 . 11 1 1 A 45 45 ALA H H 23 7.180 7.370 -0.190 1
1 257 . 11 1 1 A 45 45 ALA HA H 23 4.040 3.969 0.071 1
1 261 . 11 1 1 A 45 45 ALA C C 23 179.130 180.014 -0.884 1
1 262 . 11 1 1 A 45 45 ALA CA C 23 54.350 54.761 -0.411 1
1 263 . 11 1 1 A 45 45 ALA CB C 23 18.030 18.006 0.024 1
1 264 . 11 1 1 A 45 45 ALA N N 23 120.710 121.527 -0.817 1
1 265 . 11 1 1 A 46 46 LEU H H 24 7.510 7.695 -0.185 1
1 266 . 11 1 1 A 46 46 LEU HA H 24 3.550 3.893 -0.343 1
1 276 . 11 1 1 A 46 46 LEU C C 24 178.680 178.896 -0.216 1
1 277 . 11 1 1 A 46 46 LEU CA C 24 57.910 57.840 0.070 1
1 278 . 11 1 1 A 46 46 LEU CB C 24 43.950 41.082 2.868 1
1 282 . 11 1 1 A 46 46 LEU N N 24 118.650 119.497 -0.847 1
1 283 . 11 1 1 A 47 47 LEU H H 25 8.800 7.589 1.211 1
1 284 . 11 1 1 A 47 47 LEU HA H 25 4.480 4.389 0.091 1
1 294 . 11 1 1 A 47 47 LEU C C 25 178.960 177.196 1.764 1
1 295 . 11 1 1 A 47 47 LEU CA C 25 55.010 56.068 -1.058 1
1 296 . 11 1 1 A 47 47 LEU CB C 25 42.500 42.648 -0.148 1
1 300 . 11 1 1 A 47 47 LEU N N 25 112.540 117.630 -5.090 1
1 301 . 11 1 1 A 48 48 GLY H H 26 7.810 8.089 -0.279 1
1 302 . 11 1 1 A 48 48 GLY HA2 H 26 4.030 3.922 0.108 1
1 303 . 11 1 1 A 48 48 GLY HA3 H 26 3.900 3.946 -0.046 1
1 304 . 11 1 1 A 48 48 GLY C C 26 173.560 173.820 -0.260 1
1 305 . 11 1 1 A 48 48 GLY CA C 26 46.810 45.528 1.282 1
1 306 . 11 1 1 A 48 48 GLY N N 26 107.650 106.083 1.567 1
1 307 . 11 1 1 A 49 49 VAL H H 27 7.100 7.244 -0.144 1
1 308 . 11 1 1 A 49 49 VAL HA H 27 4.700 4.783 -0.083 1
1 316 . 11 1 1 A 49 49 VAL C C 27 172.980 173.881 -0.901 1
1 317 . 11 1 1 A 49 49 VAL CA C 27 58.680 59.054 -0.374 1
1 318 . 11 1 1 A 49 49 VAL CB C 27 36.090 35.589 0.501 1
1 321 . 11 1 1 A 49 49 VAL N N 27 110.770 115.093 -4.323 1
1 322 . 11 1 1 A 50 50 ASP H H 28 8.100 8.774 -0.674 1
1 323 . 11 1 1 A 50 50 ASP HA H 28 4.930 5.295 -0.365 1
1 326 . 11 1 1 A 50 50 ASP CA C 28 52.550 51.204 1.346 1
1 327 . 11 1 1 A 50 50 ASP CB C 28 40.520 42.920 -2.400 1
1 328 . 11 1 1 A 50 50 ASP N N 28 119.760 120.284 -0.524 1
1 329 . 11 1 1 A 51 51 PRO HA H 29 3.700 4.870 -1.170 1
1 336 . 11 1 1 A 51 51 PRO C C 29 176.580 177.875 -1.295 1
1 337 . 11 1 1 A 51 51 PRO CA C 29 62.900 62.907 -0.007 1
1 338 . 11 1 1 A 51 51 PRO CB C 29 30.550 31.791 -1.241 1
1 341 . 11 1 1 A 52 52 VAL H H 30 8.340 8.650 -0.310 1
1 342 . 11 1 1 A 52 52 VAL HA H 30 4.080 4.010 0.070 1
1 350 . 11 1 1 A 52 52 VAL C C 30 176.190 175.567 0.623 1
1 351 . 11 1 1 A 52 52 VAL CA C 30 62.790 63.991 -1.201 1
1 352 . 11 1 1 A 52 52 VAL CB C 30 32.280 32.491 -0.211 1
1 355 . 11 1 1 A 52 52 VAL N N 30 117.320 125.126 -7.806 1
1 356 . 11 1 1 A 53 53 GLU H H 31 7.170 7.652 -0.482 1
1 357 . 11 1 1 A 53 53 GLU HA H 31 4.580 4.870 -0.290 1
1 362 . 11 1 1 A 53 53 GLU C C 31 174.940 175.092 -0.152 1
1 363 . 11 1 1 A 53 53 GLU CA C 31 55.330 55.030 0.300 1
1 364 . 11 1 1 A 53 53 GLU CB C 31 33.370 32.507 0.863 1
1 366 . 11 1 1 A 53 53 GLU N N 31 118.180 119.748 -1.568 1
1 367 . 11 1 1 A 54 54 SER H H 32 8.650 8.872 -0.222 1
1 368 . 11 1 1 A 54 54 SER HA H 32 5.130 5.426 -0.296 1
1 371 . 11 1 1 A 54 54 SER C C 32 171.990 173.604 -1.614 1
1 372 . 11 1 1 A 54 54 SER CA C 32 57.940 56.924 1.016 1
1 373 . 11 1 1 A 54 54 SER CB C 32 64.720 65.649 -0.929 1
1 374 . 11 1 1 A 54 54 SER N N 32 117.210 118.767 -1.557 1
1 375 . 11 1 1 A 55 55 SER H H 33 8.760 8.895 -0.135 1
1 376 . 11 1 1 A 55 55 SER N N 33 124.420 118.132 6.288 1
1 377 . 11 1 1 A 56 56 PRO HA H 34 4.320 4.452 -0.132 1
1 382 . 11 1 1 A 56 56 PRO C C 34 177.290 177.157 0.133 1
1 383 . 11 1 1 A 56 56 PRO CA C 34 65.750 64.880 0.870 1
1 384 . 11 1 1 A 56 56 PRO CB C 34 32.490 32.089 0.401 1
1 386 . 11 1 1 A 57 57 THR H H 35 7.810 8.222 -0.412 1
1 387 . 11 1 1 A 57 57 THR HA H 35 4.630 4.836 -0.206 1
1 392 . 11 1 1 A 57 57 THR C C 35 174.080 173.929 0.151 1
1 393 . 11 1 1 A 57 57 THR CA C 35 61.860 61.511 0.349 1
1 394 . 11 1 1 A 57 57 THR CB C 35 70.940 70.253 0.687 1
1 396 . 11 1 1 A 57 57 THR N N 35 101.710 110.734 -9.024 1
1 397 . 11 1 1 A 58 58 PHE H H 36 7.670 7.445 0.225 1
1 398 . 11 1 1 A 58 58 PHE HA H 36 5.780 4.980 0.800 1
1 405 . 11 1 1 A 58 58 PHE CA C 36 57.820 57.941 -0.121 1
1 406 . 11 1 1 A 58 58 PHE CB C 36 43.010 42.687 0.323 1
1 409 . 11 1 1 A 58 58 PHE N N 36 124.370 120.891 3.479 1
1 410 . 11 1 1 A 59 59 SER H H 37 8.070 8.342 -0.272 1
1 411 . 11 1 1 A 59 59 SER HA H 37 4.890 5.537 -0.647 1
1 414 . 11 1 1 A 59 59 SER C C 37 170.010 172.137 -2.127 1
1 415 . 11 1 1 A 59 59 SER CA C 37 56.660 56.459 0.201 1
1 416 . 11 1 1 A 59 59 SER CB C 37 67.490 66.390 1.100 1
1 417 . 11 1 1 A 59 59 SER N N 37 122.930 122.342 0.588 1
1 418 . 11 1 1 A 60 60 LEU H H 38 8.140 8.372 -0.232 1
1 419 . 11 1 1 A 60 60 LEU HA H 38 4.810 4.413 0.397 1
1 429 . 11 1 1 A 60 60 LEU C C 38 174.000 174.496 -0.496 1
1 430 . 11 1 1 A 60 60 LEU CA C 38 53.750 54.460 -0.710 1
1 431 . 11 1 1 A 60 60 LEU CB C 38 47.250 45.927 1.323 1
1 435 . 11 1 1 A 60 60 LEU N N 38 122.030 124.618 -2.588 1
1 436 . 11 1 1 A 61 61 PHE H H 39 9.460 8.027 1.433 1
1 437 . 11 1 1 A 61 61 PHE HA H 39 4.580 5.764 -1.184 1
1 444 . 11 1 1 A 61 61 PHE C C 39 174.390 173.277 1.113 1
1 445 . 11 1 1 A 61 61 PHE CA C 39 57.180 54.964 2.216 1
1 446 . 11 1 1 A 61 61 PHE CB C 39 41.570 42.777 -1.207 1
1 449 . 11 1 1 A 61 61 PHE N N 39 124.820 122.167 2.653 1
1 450 . 11 1 1 A 62 62 VAL H H 40 8.640 9.008 -0.368 1
1 451 . 11 1 1 A 62 62 VAL HA H 40 4.260 4.751 -0.491 1
1 459 . 11 1 1 A 62 62 VAL C C 40 175.380 175.012 0.368 1
1 460 . 11 1 1 A 62 62 VAL CA C 40 62.520 60.500 2.020 1
1 461 . 11 1 1 A 62 62 VAL CB C 40 32.470 34.384 -1.914 1
1 464 . 11 1 1 A 62 62 VAL N N 40 122.650 121.618 1.032 1
1 465 . 11 1 1 A 63 63 LEU H H 41 8.710 8.521 0.189 1
1 466 . 11 1 1 A 63 63 LEU HA H 41 4.590 4.674 -0.084 1
1 476 . 11 1 1 A 63 63 LEU CA C 41 53.560 53.504 0.056 1
1 477 . 11 1 1 A 63 63 LEU CB C 41 41.600 42.659 -1.059 1
1 481 . 11 1 1 A 63 63 LEU N N 41 126.170 127.313 -1.143 1
1 482 . 11 1 1 A 64 64 ALA HA H 42 4.040 4.079 -0.039 1
1 486 . 11 1 1 A 64 64 ALA CA C 42 55.050 54.456 0.594 1
1 487 . 11 1 1 A 64 64 ALA CB C 42 18.580 18.469 0.111 1
1 488 . 11 1 1 A 65 65 ASN H H 43 7.680 7.870 -0.190 1
1 489 . 11 1 1 A 65 65 ASN HA H 43 4.520 4.673 -0.153 1
1 494 . 11 1 1 A 65 65 ASN C C 43 175.860 175.634 0.226 1
1 495 . 11 1 1 A 65 65 ASN CA C 43 52.530 53.362 -0.832 1
1 496 . 11 1 1 A 65 65 ASN CB C 43 37.800 38.656 -0.856 1
1 497 . 11 1 1 A 65 65 ASN N N 43 112.130 114.836 -2.706 1
1 499 . 11 1 1 A 66 66 GLY H H 44 8.070 7.874 0.196 1
1 500 . 11 1 1 A 66 66 GLY HA2 H 44 4.330 3.903 0.427 1
1 501 . 11 1 1 A 66 66 GLY HA3 H 44 3.480 3.906 -0.426 1
1 502 . 11 1 1 A 66 66 GLY C C 44 174.260 174.338 -0.078 1
1 503 . 11 1 1 A 66 66 GLY CA C 44 44.930 45.024 -0.094 1
1 504 . 11 1 1 A 66 66 GLY N N 44 107.650 106.042 1.608 1
1 505 . 11 1 1 A 67 67 MET H H 45 7.900 7.879 0.021 1
1 506 . 11 1 1 A 67 67 MET HA H 45 4.420 4.569 -0.149 1
1 514 . 11 1 1 A 67 67 MET CA C 45 55.520 54.873 0.647 1
1 515 . 11 1 1 A 67 67 MET CB C 45 33.630 34.344 -0.714 1
1 518 . 11 1 1 A 67 67 MET N N 45 121.850 119.643 2.207 1
1 519 . 11 1 1 A 68 68 LYS HA H 46 5.040 4.882 0.158 1
1 528 . 11 1 1 A 68 68 LYS C C 46 174.600 173.989 0.611 1
1 529 . 11 1 1 A 68 68 LYS CA C 46 55.410 55.143 0.267 1
1 530 . 11 1 1 A 68 68 LYS CB C 46 34.460 35.905 -1.445 1
1 534 . 11 1 1 A 69 69 LEU H H 47 8.830 8.419 0.411 1
1 535 . 11 1 1 A 69 69 LEU HA H 47 5.450 5.298 0.152 1
1 545 . 11 1 1 A 69 69 LEU C C 47 174.880 174.952 -0.072 1
1 546 . 11 1 1 A 69 69 LEU CA C 47 52.980 53.519 -0.539 1
1 547 . 11 1 1 A 69 69 LEU CB C 47 46.560 45.417 1.143 1
1 551 . 11 1 1 A 69 69 LEU N N 47 124.960 126.473 -1.513 1
1 552 . 11 1 1 A 70 70 GLY H H 48 9.580 9.311 0.269 1
1 553 . 11 1 1 A 70 70 GLY HA2 H 48 5.220 3.900 1.320 1
1 554 . 11 1 1 A 70 70 GLY HA3 H 48 3.090 4.335 -1.245 1
1 555 . 11 1 1 A 70 70 GLY C C 48 170.590 171.965 -1.375 1
1 556 . 11 1 1 A 70 70 GLY CA C 48 43.370 44.036 -0.666 1
1 557 . 11 1 1 A 70 70 GLY N N 48 113.940 114.108 -0.168 1
1 558 . 11 1 1 A 71 71 LEU H H 49 8.250 7.888 0.362 1
1 559 . 11 1 1 A 71 71 LEU HA H 49 5.150 5.001 0.149 1
1 569 . 11 1 1 A 71 71 LEU C C 49 173.920 174.143 -0.223 1
1 570 . 11 1 1 A 71 71 LEU CA C 49 52.770 53.089 -0.319 1
1 571 . 11 1 1 A 71 71 LEU CB C 49 43.100 44.504 -1.404 1
1 575 . 11 1 1 A 71 71 LEU N N 49 122.270 120.771 1.499 1
1 576 . 11 1 1 A 72 72 TRP H H 50 8.960 8.896 0.064 1
1 577 . 11 1 1 A 72 72 TRP HA H 50 5.860 5.291 0.569 1
1 584 . 11 1 1 A 72 72 TRP C C 50 175.740 175.169 0.571 1
1 585 . 11 1 1 A 72 72 TRP CA C 50 53.170 55.164 -1.994 1
1 586 . 11 1 1 A 72 72 TRP CB C 50 34.990 32.125 2.865 1
1 590 . 11 1 1 A 72 72 TRP N N 50 125.010 128.044 -3.034 1
1 592 . 11 1 1 A 73 73 SER H H 51 9.010 8.947 0.063 1
1 593 . 11 1 1 A 73 73 SER HA H 51 4.570 4.784 -0.214 1
1 596 . 11 1 1 A 73 73 SER C C 51 176.240 175.559 0.681 1
1 597 . 11 1 1 A 73 73 SER CA C 51 58.490 59.436 -0.946 1
1 598 . 11 1 1 A 73 73 SER CB C 51 63.770 63.543 0.227 1
1 599 . 11 1 1 A 73 73 SER N N 51 120.380 124.079 -3.699 1
1 600 . 11 1 1 A 74 74 ARG H H 52 9.420 8.320 1.100 1
1 601 . 11 1 1 A 74 74 ARG HA H 52 3.460 3.574 -0.114 1
1 608 . 11 1 1 A 74 74 ARG C C 52 175.610 176.398 -0.788 1
1 609 . 11 1 1 A 74 74 ARG CA C 52 57.590 57.746 -0.156 1
1 610 . 11 1 1 A 74 74 ARG CB C 52 28.900 29.328 -0.428 1
1 613 . 11 1 1 A 74 74 ARG N N 52 128.770 124.562 4.208 1
1 614 . 11 1 1 A 75 75 HIS H H 53 7.910 7.873 0.037 1
1 615 . 11 1 1 A 75 75 HIS HA H 53 4.310 4.473 -0.163 1
1 619 . 11 1 1 A 75 75 HIS C C 53 176.610 175.560 1.050 1
1 620 . 11 1 1 A 75 75 HIS CA C 53 57.190 56.889 0.301 1
1 621 . 11 1 1 A 75 75 HIS CB C 53 31.260 29.720 1.540 1
1 623 . 11 1 1 A 75 75 HIS N N 53 117.320 117.086 0.234 1
1 624 . 11 1 1 A 76 76 THR H H 54 7.360 7.320 0.040 1
1 625 . 11 1 1 A 76 76 THR HA H 54 4.540 4.340 0.200 1
1 630 . 11 1 1 A 76 76 THR C C 54 175.120 174.019 1.101 1
1 631 . 11 1 1 A 76 76 THR CA C 54 61.840 61.409 0.431 1
1 632 . 11 1 1 A 76 76 THR CB C 54 69.680 69.945 -0.265 1
1 634 . 11 1 1 A 76 76 THR N N 54 107.350 113.125 -5.775 1
1 635 . 11 1 1 A 77 77 VAL H H 55 6.630 7.124 -0.494 1
1 636 . 11 1 1 A 77 77 VAL HA H 55 2.700 2.695 0.005 1
1 644 . 11 1 1 A 77 77 VAL C C 55 173.920 174.851 -0.931 1
1 645 . 11 1 1 A 77 77 VAL CA C 55 63.500 62.106 1.394 1
1 646 . 11 1 1 A 77 77 VAL CB C 55 31.270 31.935 -0.665 1
1 649 . 11 1 1 A 77 77 VAL N N 55 123.760 121.838 1.922 1
1 650 . 11 1 1 A 78 78 GLU H H 56 6.010 8.307 -2.297 1
1 651 . 11 1 1 A 78 78 GLU HA H 56 4.160 4.779 -0.619 1
1 656 . 11 1 1 A 78 78 GLU CA C 56 53.120 52.498 0.622 1
1 657 . 11 1 1 A 78 78 GLU CB C 56 32.240 31.310 0.930 1
1 659 . 11 1 1 A 78 78 GLU N N 56 124.820 128.234 -3.414 1
1 660 . 11 1 1 A 79 79 PRO HA H 57 4.620 4.517 0.103 1
1 667 . 11 1 1 A 79 79 PRO C C 57 176.190 176.714 -0.524 1
1 668 . 11 1 1 A 79 79 PRO CA C 57 61.890 62.564 -0.674 1
1 669 . 11 1 1 A 79 79 PRO CB C 57 33.620 32.083 1.537 1
1 672 . 11 1 1 A 80 80 LYS H H 58 8.340 8.234 0.106 1
1 673 . 11 1 1 A 80 80 LYS HA H 58 3.880 4.192 -0.312 1
1 682 . 11 1 1 A 80 80 LYS C C 58 177.100 176.732 0.368 1
1 683 . 11 1 1 A 80 80 LYS CA C 58 57.610 56.959 0.651 1
1 684 . 11 1 1 A 80 80 LYS CB C 58 32.400 32.673 -0.273 1
1 688 . 11 1 1 A 80 80 LYS N N 58 121.510 123.297 -1.787 1
1 689 . 11 1 1 A 81 81 ALA H H 59 8.430 8.728 -0.298 1
1 690 . 11 1 1 A 81 81 ALA HA H 59 4.870 5.079 -0.209 1
1 694 . 11 1 1 A 81 81 ALA C C 59 177.460 175.581 1.879 1
1 695 . 11 1 1 A 81 81 ALA CA C 59 51.020 50.981 0.039 1
1 696 . 11 1 1 A 81 81 ALA CB C 59 22.910 23.007 -0.097 1
1 697 . 11 1 1 A 81 81 ALA N N 59 129.030 126.559 2.471 1
1 698 . 11 1 1 A 82 82 SER H H 60 9.680 8.916 0.764 1
1 699 . 11 1 1 A 82 82 SER HA H 60 4.510 5.286 -0.776 1
1 702 . 11 1 1 A 82 82 SER C C 60 172.960 173.318 -0.358 1
1 703 . 11 1 1 A 82 82 SER CA C 60 58.350 56.861 1.489 1
1 704 . 11 1 1 A 82 82 SER CB C 60 65.150 64.043 1.107 1
1 705 . 11 1 1 A 82 82 SER N N 60 115.930 116.648 -0.718 1
1 706 . 11 1 1 A 83 83 VAL H H 61 7.450 8.365 -0.915 1
1 707 . 11 1 1 A 83 83 VAL HA H 61 4.260 4.659 -0.399 1
1 715 . 11 1 1 A 83 83 VAL CA C 61 60.940 60.605 0.335 1
1 716 . 11 1 1 A 83 83 VAL CB C 61 35.360 34.563 0.797 1
1 719 . 11 1 1 A 83 83 VAL N N 61 121.550 124.943 -3.393 1
1 720 . 11 1 1 A 84 84 THR H H 62 7.850 8.623 -0.773 1
1 721 . 11 1 1 A 84 84 THR HA H 62 4.750 5.111 -0.361 1
1 726 . 11 1 1 A 84 84 THR C C 62 174.040 174.036 0.004 1
1 727 . 11 1 1 A 84 84 THR CA C 62 59.370 59.815 -0.445 1
1 728 . 11 1 1 A 84 84 THR CB C 62 68.800 71.738 -2.938 1
1 730 . 11 1 1 A 84 84 THR N N 62 111.040 118.596 -7.556 1
1 731 . 11 1 1 A 85 85 GLY H H 63 7.950 8.896 -0.946 1
1 732 . 11 1 1 A 85 85 GLY HA2 H 63 3.480 3.931 -0.451 1
1 733 . 11 1 1 A 85 85 GLY HA3 H 63 2.950 3.976 -1.026 1
1 734 . 11 1 1 A 85 85 GLY C C 63 174.140 175.627 -1.487 1
1 735 . 11 1 1 A 85 85 GLY CA C 63 45.490 46.143 -0.653 1
1 736 . 11 1 1 A 85 85 GLY N N 63 109.700 112.926 -3.226 1
1 737 . 11 1 1 A 86 86 GLY H H 64 8.530 8.151 0.379 1
1 738 . 11 1 1 A 86 86 GLY HA2 H 64 4.550 3.926 0.624 1
1 739 . 11 1 1 A 86 86 GLY HA3 H 64 3.700 3.941 -0.241 1
1 740 . 11 1 1 A 86 86 GLY C C 64 174.700 173.719 0.981 1
1 741 . 11 1 1 A 86 86 GLY CA C 64 45.600 45.585 0.015 1
1 742 . 11 1 1 A 86 86 GLY N N 64 107.420 107.058 0.362 1
1 743 . 11 1 1 A 87 87 GLY H H 65 9.280 7.636 1.644 1
1 744 . 11 1 1 A 87 87 GLY HA2 H 65 4.860 4.056 0.804 1
1 745 . 11 1 1 A 87 87 GLY HA3 H 65 4.160 4.072 0.088 1
1 746 . 11 1 1 A 87 87 GLY C C 65 172.640 173.980 -1.340 1
1 747 . 11 1 1 A 87 87 GLY CA C 65 45.630 44.206 1.424 1
1 748 . 11 1 1 A 87 87 GLY N N 65 111.380 107.593 3.787 1
1 749 . 11 1 1 A 88 88 GLY H H 66 6.610 8.559 -1.949 1
1 750 . 11 1 1 A 88 88 GLY HA2 H 66 4.020 3.962 0.058 1
1 751 . 11 1 1 A 88 88 GLY HA3 H 66 2.360 3.975 -1.615 1
1 752 . 11 1 1 A 88 88 GLY C C 66 172.250 174.602 -2.352 1
1 753 . 11 1 1 A 88 88 GLY CA C 66 43.910 46.498 -2.588 1
1 754 . 11 1 1 A 88 88 GLY N N 66 105.700 107.986 -2.286 1
1 755 . 11 1 1 A 89 89 GLU H H 67 9.230 8.523 0.707 1
1 756 . 11 1 1 A 89 89 GLU HA H 67 5.100 5.277 -0.177 1
1 761 . 11 1 1 A 89 89 GLU C C 67 175.770 175.682 0.088 1
1 762 . 11 1 1 A 89 89 GLU CA C 67 54.540 55.133 -0.593 1
1 763 . 11 1 1 A 89 89 GLU CB C 67 34.710 31.687 3.023 1
1 765 . 11 1 1 A 89 89 GLU N N 67 117.210 122.169 -4.959 1
1 766 . 11 1 1 A 90 90 LEU H H 68 8.470 9.026 -0.556 1
1 767 . 11 1 1 A 90 90 LEU HA H 68 5.050 4.932 0.118 1
1 777 . 11 1 1 A 90 90 LEU C C 68 175.460 175.485 -0.025 1
1 778 . 11 1 1 A 90 90 LEU CA C 68 54.160 53.890 0.270 1
1 779 . 11 1 1 A 90 90 LEU CB C 68 44.250 43.433 0.817 1
1 783 . 11 1 1 A 90 90 LEU N N 68 120.420 121.954 -1.534 1
1 784 . 11 1 1 A 91 91 ALA H H 69 8.880 8.786 0.094 1
1 785 . 11 1 1 A 91 91 ALA HA H 69 5.990 4.894 1.096 1
1 789 . 11 1 1 A 91 91 ALA C C 69 175.300 176.573 -1.273 1
1 790 . 11 1 1 A 91 91 ALA CA C 69 50.340 50.997 -0.657 1
1 791 . 11 1 1 A 91 91 ALA CB C 69 21.140 19.754 1.386 1
1 792 . 11 1 1 A 91 91 ALA N N 69 124.720 128.582 -3.862 1
1 793 . 11 1 1 A 92 92 PHE H H 70 10.090 9.664 0.426 1
1 794 . 11 1 1 A 92 92 PHE HA H 70 4.700 4.981 -0.281 1
1 802 . 11 1 1 A 92 92 PHE CA C 70 56.580 57.828 -1.248 1
1 803 . 11 1 1 A 92 92 PHE CB C 70 40.490 39.410 1.080 1
1 807 . 11 1 1 A 92 92 PHE N N 70 122.920 124.410 -1.490 1
1 808 . 11 1 1 A 93 93 ARG H H 71 9.030 9.031 -0.001 1
1 809 . 11 1 1 A 93 93 ARG HA H 71 4.460 4.496 -0.036 1
1 816 . 11 1 1 A 93 93 ARG C C 71 176.910 176.047 0.863 1
1 817 . 11 1 1 A 93 93 ARG CA C 71 55.080 56.204 -1.124 1
1 818 . 11 1 1 A 93 93 ARG CB C 71 31.950 31.158 0.792 1
1 821 . 11 1 1 A 93 93 ARG N N 71 125.390 124.796 0.594 1
1 822 . 11 1 1 A 94 94 VAL H H 72 8.470 8.217 0.253 1
1 823 . 11 1 1 A 94 94 VAL HA H 72 4.820 4.693 0.127 1
1 831 . 11 1 1 A 94 94 VAL C C 72 176.320 176.129 0.191 1
1 832 . 11 1 1 A 94 94 VAL CA C 72 59.190 58.907 0.283 1
1 833 . 11 1 1 A 94 94 VAL CB C 72 32.550 34.749 -2.199 1
1 836 . 11 1 1 A 94 94 VAL N N 72 119.430 119.599 -0.169 1
1 837 . 11 1 1 A 95 95 GLU H H 73 8.160 8.819 -0.659 1
1 838 . 11 1 1 A 95 95 GLU HA H 73 3.940 4.175 -0.235 1
1 843 . 11 1 1 A 95 95 GLU C C 73 176.560 176.517 0.043 1
1 844 . 11 1 1 A 95 95 GLU CA C 73 59.620 58.645 0.975 1
1 845 . 11 1 1 A 95 95 GLU CB C 73 31.400 29.596 1.804 1
1 847 . 11 1 1 A 95 95 GLU N N 73 116.510 120.489 -3.979 1
1 848 . 11 1 1 A 96 96 ASN H H 74 7.240 7.779 -0.539 1
1 849 . 11 1 1 A 96 96 ASN HA H 74 4.780 5.012 -0.232 1
1 854 . 11 1 1 A 96 96 ASN C C 74 174.960 174.661 0.299 1
1 855 . 11 1 1 A 96 96 ASN CA C 74 51.570 52.527 -0.957 1
1 856 . 11 1 1 A 96 96 ASN CB C 74 40.130 39.624 0.506 1
1 857 . 11 1 1 A 96 96 ASN N N 74 108.930 114.296 -5.366 1
1 859 . 11 1 1 A 97 97 ASP H H 75 8.330 9.108 -0.778 1
1 860 . 11 1 1 A 97 97 ASP HA H 75 4.190 4.475 -0.285 1
1 863 . 11 1 1 A 97 97 ASP C C 75 177.800 178.542 -0.742 1
1 864 . 11 1 1 A 97 97 ASP CA C 75 57.780 56.600 1.180 1
1 865 . 11 1 1 A 97 97 ASP CB C 75 39.230 39.562 -0.332 1
1 866 . 11 1 1 A 97 97 ASP N N 75 120.390 118.330 2.060 1
1 867 . 11 1 1 A 98 98 ALA H H 76 8.090 8.015 0.075 1
1 868 . 11 1 1 A 98 98 ALA HA H 76 4.210 3.936 0.274 1
1 872 . 11 1 1 A 98 98 ALA C C 76 181.130 179.946 1.184 1
1 873 . 11 1 1 A 98 98 ALA CA C 76 55.160 55.407 -0.247 1
1 874 . 11 1 1 A 98 98 ALA CB C 76 17.440 18.062 -0.622 1
1 875 . 11 1 1 A 98 98 ALA N N 76 122.660 121.623 1.037 1
1 876 . 11 1 1 A 99 99 GLN H H 77 8.110 7.856 0.254 1
1 877 . 11 1 1 A 99 99 GLN HA H 77 4.170 4.083 0.087 1
1 884 . 11 1 1 A 99 99 GLN C C 77 180.190 178.624 1.566 1
1 885 . 11 1 1 A 99 99 GLN CA C 77 58.680 58.502 0.178 1
1 886 . 11 1 1 A 99 99 GLN CB C 77 28.590 28.529 0.061 1
1 888 . 11 1 1 A 99 99 GLN N N 77 116.870 118.001 -1.131 1
1 890 . 11 1 1 A 100 100 VAL H H 78 7.860 7.664 0.196 1
1 891 . 11 1 1 A 100 100 VAL HA H 78 3.400 3.634 -0.234 1
1 899 . 11 1 1 A 100 100 VAL C C 78 177.510 178.255 -0.745 1
1 900 . 11 1 1 A 100 100 VAL CA C 78 67.800 66.460 1.340 1
1 901 . 11 1 1 A 100 100 VAL CB C 78 30.810 31.731 -0.921 1
1 904 . 11 1 1 A 100 100 VAL N N 78 125.200 120.996 4.204 1
1 905 . 11 1 1 A 101 101 ASP H H 79 7.810 7.946 -0.136 1
1 906 . 11 1 1 A 101 101 ASP HA H 79 4.420 4.320 0.100 1
1 909 . 11 1 1 A 101 101 ASP C C 79 175.010 178.735 -3.725 1
1 910 . 11 1 1 A 101 101 ASP CA C 79 58.490 57.038 1.452 1
1 911 . 11 1 1 A 101 101 ASP CB C 79 40.400 40.743 -0.343 1
1 912 . 11 1 1 A 101 101 ASP N N 79 119.560 120.373 -0.813 1
1 913 . 11 1 1 A 102 102 GLU H H 80 8.620 7.973 0.647 1
1 914 . 11 1 1 A 102 102 GLU HA H 80 4.080 4.088 -0.008 1
1 919 . 11 1 1 A 102 102 GLU C C 80 179.540 179.677 -0.137 1
1 920 . 11 1 1 A 102 102 GLU CA C 80 59.470 59.277 0.193 1
1 921 . 11 1 1 A 102 102 GLU CB C 80 30.210 29.718 0.492 1
1 923 . 11 1 1 A 102 102 GLU N N 80 121.400 119.201 2.199 1
1 924 . 11 1 1 A 103 103 THR H H 81 8.120 7.858 0.262 1
1 925 . 11 1 1 A 103 103 THR HA H 81 3.660 3.771 -0.111 1
1 930 . 11 1 1 A 103 103 THR C C 81 174.440 176.061 -1.621 1
1 931 . 11 1 1 A 103 103 THR CA C 81 66.990 66.115 0.875 1
1 932 . 11 1 1 A 103 103 THR CB C 81 68.070 68.353 -0.283 1
1 934 . 11 1 1 A 103 103 THR N N 81 118.770 117.972 0.798 1
1 935 . 11 1 1 A 104 104 PHE H H 82 8.340 8.114 0.226 1
1 936 . 11 1 1 A 104 104 PHE HA H 82 3.030 3.806 -0.776 1
1 943 . 11 1 1 A 104 104 PHE C C 82 176.050 176.639 -0.589 1
1 944 . 11 1 1 A 104 104 PHE CA C 82 61.480 62.171 -0.691 1
1 945 . 11 1 1 A 104 104 PHE CB C 82 38.550 38.523 0.027 1
1 948 . 11 1 1 A 104 104 PHE N N 82 122.350 121.522 0.828 1
1 949 . 11 1 1 A 105 105 ALA H H 83 7.780 8.492 -0.712 1
1 950 . 11 1 1 A 105 105 ALA HA H 83 3.680 4.070 -0.390 1
1 954 . 11 1 1 A 105 105 ALA C C 83 181.410 179.926 1.484 1
1 955 . 11 1 1 A 105 105 ALA CA C 83 54.880 55.069 -0.189 1
1 956 . 11 1 1 A 105 105 ALA CB C 83 18.080 18.361 -0.281 1
1 957 . 11 1 1 A 105 105 ALA N N 83 118.740 121.134 -2.394 1
1 958 . 11 1 1 A 106 106 GLY H H 84 8.120 8.171 -0.051 1
1 959 . 11 1 1 A 106 106 GLY HA2 H 84 3.910 3.596 0.314 1
1 960 . 11 1 1 A 106 106 GLY HA3 H 84 3.810 3.606 0.204 1
1 961 . 11 1 1 A 106 106 GLY C C 84 176.780 177.103 -0.323 1
1 962 . 11 1 1 A 106 106 GLY CA C 84 46.910 47.101 -0.191 1
1 963 . 11 1 1 A 106 106 GLY N N 84 107.090 105.225 1.865 1
1 964 . 11 1 1 A 107 107 TRP H H 85 9.240 7.717 1.523 1
1 965 . 11 1 1 A 107 107 TRP HA H 85 4.440 4.672 -0.232 1
1 972 . 11 1 1 A 107 107 TRP C C 85 179.210 178.313 0.897 1
1 973 . 11 1 1 A 107 107 TRP CA C 85 59.190 60.562 -1.372 1
1 974 . 11 1 1 A 107 107 TRP CB C 85 28.450 28.967 -0.517 1
1 978 . 11 1 1 A 107 107 TRP N N 85 124.820 121.961 2.859 1
1 980 . 11 1 1 A 108 108 LYS H H 86 8.610 8.384 0.226 1
1 981 . 11 1 1 A 108 108 LYS HA H 86 3.920 3.951 -0.031 1
1 990 . 11 1 1 A 108 108 LYS C C 86 180.980 178.534 2.446 1
1 991 . 11 1 1 A 108 108 LYS CA C 86 60.040 59.286 0.754 1
1 992 . 11 1 1 A 108 108 LYS CB C 86 31.850 32.284 -0.434 1
1 996 . 11 1 1 A 108 108 LYS N N 86 121.490 121.145 0.345 1
1 997 . 11 1 1 A 109 109 ALA H H 87 7.890 7.910 -0.020 1
1 998 . 11 1 1 A 109 109 ALA HA H 87 4.150 4.180 -0.030 1
1 1002 . 11 1 1 A 109 109 ALA C C 87 179.050 178.525 0.525 1
1 1003 . 11 1 1 A 109 109 ALA CA C 87 54.670 54.414 0.256 1
1 1004 . 11 1 1 A 109 109 ALA CB C 87 18.010 18.279 -0.269 1
1 1005 . 11 1 1 A 109 109 ALA N N 87 121.920 121.399 0.521 1
1 1006 . 11 1 1 A 110 110 SER H H 88 7.510 7.420 0.090 1
1 1007 . 11 1 1 A 110 110 SER HA H 88 4.450 4.608 -0.158 1
1 1010 . 11 1 1 A 110 110 SER C C 88 174.140 174.485 -0.345 1
1 1011 . 11 1 1 A 110 110 SER CA C 88 58.750 58.497 0.253 1
1 1012 . 11 1 1 A 110 110 SER CB C 88 63.950 63.484 0.466 1
1 1013 . 11 1 1 A 110 110 SER N N 88 112.390 111.208 1.182 1
1 1014 . 11 1 1 A 111 111 GLY H H 89 7.790 8.052 -0.262 1
1 1015 . 11 1 1 A 111 111 GLY HA2 H 89 4.180 3.931 0.249 1
1 1016 . 11 1 1 A 111 111 GLY HA3 H 89 3.700 3.946 -0.246 1
1 1017 . 11 1 1 A 111 111 GLY C C 89 174.520 174.761 -0.241 1
1 1018 . 11 1 1 A 111 111 GLY CA C 89 45.530 46.089 -0.559 1
1 1019 . 11 1 1 A 111 111 GLY N N 89 108.220 110.013 -1.793 1
1 1020 . 11 1 1 A 112 112 VAL H H 90 7.660 7.896 -0.236 1
1 1021 . 11 1 1 A 112 112 VAL HA H 90 3.830 3.983 -0.153 1
1 1029 . 11 1 1 A 112 112 VAL C C 90 175.430 175.970 -0.540 1
1 1030 . 11 1 1 A 112 112 VAL CA C 90 63.880 62.631 1.249 1
1 1031 . 11 1 1 A 112 112 VAL CB C 90 32.040 31.611 0.429 1
1 1034 . 11 1 1 A 112 112 VAL N N 90 122.880 121.410 1.470 1
1 1035 . 11 1 1 A 113 113 ALA H H 91 8.720 8.527 0.193 1
1 1036 . 11 1 1 A 113 113 ALA HA H 91 4.210 3.988 0.222 1
1 1040 . 11 1 1 A 113 113 ALA C C 91 176.290 177.929 -1.639 1
1 1041 . 11 1 1 A 113 113 ALA CA C 91 52.900 55.572 -2.672 1
1 1042 . 11 1 1 A 113 113 ALA CB C 91 19.290 18.301 0.989 1
1 1043 . 11 1 1 A 113 113 ALA N N 91 132.080 127.996 4.084 1
1 1044 . 11 1 1 A 114 114 MET H H 92 8.260 7.791 0.469 1
1 1045 . 11 1 1 A 114 114 MET HA H 92 5.330 4.257 1.073 1
1 1051 . 11 1 1 A 114 114 MET C C 92 176.780 176.546 0.234 1
1 1052 . 11 1 1 A 114 114 MET CA C 92 53.390 56.063 -2.673 1
1 1053 . 11 1 1 A 114 114 MET CB C 92 33.450 30.099 3.351 1
1 1055 . 11 1 1 A 114 114 MET N N 92 116.930 116.778 0.152 1
1 1056 . 11 1 1 A 115 115 LEU H H 93 8.990 8.058 0.932 1
1 1057 . 11 1 1 A 115 115 LEU HA H 93 4.550 4.856 -0.306 1
1 1067 . 11 1 1 A 115 115 LEU C C 93 176.630 175.658 0.972 1
1 1068 . 11 1 1 A 115 115 LEU CA C 93 55.140 54.057 1.083 1
1 1069 . 11 1 1 A 115 115 LEU CB C 93 44.810 42.377 2.433 1
1 1073 . 11 1 1 A 115 115 LEU N N 93 122.250 119.260 2.990 1
1 1074 . 11 1 1 A 116 116 GLN H H 94 8.280 8.184 0.096 1
1 1075 . 11 1 1 A 116 116 GLN HA H 94 4.700 4.703 -0.003 1
1 1080 . 11 1 1 A 116 116 GLN C C 94 174.860 174.034 0.826 1
1 1081 . 11 1 1 A 116 116 GLN CA C 94 55.600 55.879 -0.279 1
1 1082 . 11 1 1 A 116 116 GLN CB C 94 33.510 33.227 0.283 1
1 1083 . 11 1 1 A 116 116 GLN N N 94 121.140 123.599 -2.459 1
1 1085 . 11 1 1 A 117 117 GLN H H 95 8.490 8.604 -0.114 1
1 1086 . 11 1 1 A 117 117 GLN HA H 95 4.080 4.685 -0.605 1
1 1093 . 11 1 1 A 117 117 GLN CA C 95 54.860 53.356 1.504 1
1 1094 . 11 1 1 A 117 117 GLN CB C 95 26.550 28.938 -2.388 1
1 1096 . 11 1 1 A 117 117 GLN N N 95 125.610 124.475 1.135 1
1 1098 . 11 1 1 A 118 118 PRO HA H 96 4.410 4.809 -0.399 1
1 1103 . 11 1 1 A 118 118 PRO C C 96 176.290 175.702 0.588 1
1 1104 . 11 1 1 A 118 118 PRO CA C 96 64.130 63.004 1.126 1
1 1105 . 11 1 1 A 118 118 PRO CB C 96 30.550 31.664 -1.114 1
1 1107 . 11 1 1 A 119 119 ALA H H 97 8.980 8.076 0.904 1
1 1108 . 11 1 1 A 119 119 ALA HA H 97 4.550 4.598 -0.048 1
1 1112 . 11 1 1 A 119 119 ALA C C 97 175.820 175.913 -0.093 1
1 1113 . 11 1 1 A 119 119 ALA CA C 97 51.100 50.438 0.662 1
1 1114 . 11 1 1 A 119 119 ALA CB C 97 22.150 23.626 -1.476 1
1 1115 . 11 1 1 A 119 119 ALA N N 97 126.580 124.765 1.815 1
1 1116 . 11 1 1 A 120 120 LYS H H 98 8.710 8.424 0.286 1
1 1117 . 11 1 1 A 120 120 LYS HA H 98 4.450 4.610 -0.160 1
1 1126 . 11 1 1 A 120 120 LYS C C 98 175.950 175.936 0.014 1
1 1127 . 11 1 1 A 120 120 LYS CA C 98 56.360 57.006 -0.646 1
1 1128 . 11 1 1 A 120 120 LYS CB C 98 32.090 33.097 -1.007 1
1 1132 . 11 1 1 A 120 120 LYS N N 98 121.330 120.146 1.184 1
1 1133 . 11 1 1 A 121 121 MET H H 99 8.130 8.548 -0.418 1
1 1138 . 11 1 1 A 121 121 MET N N 99 125.590 124.838 0.752 1
1 1139 . 11 1 1 A 122 122 GLU HA H 100 3.890 4.052 -0.162 1
1 1144 . 11 1 1 A 122 122 GLU C C 100 176.450 177.605 -1.155 1
1 1145 . 11 1 1 A 122 122 GLU CA C 100 59.740 59.685 0.055 1
1 1146 . 11 1 1 A 122 122 GLU CB C 100 29.200 29.588 -0.388 1
1 1148 . 11 1 1 A 123 123 PHE H H 101 6.120 7.888 -1.768 1
1 1149 . 11 1 1 A 123 123 PHE HA H 101 4.430 4.741 -0.311 1
1 1152 . 11 1 1 A 123 123 PHE C C 101 173.950 175.431 -1.481 1
1 1153 . 11 1 1 A 123 123 PHE CA C 101 54.750 58.218 -3.468 1
1 1154 . 11 1 1 A 123 123 PHE CB C 101 38.630 39.643 -1.013 1
1 1155 . 11 1 1 A 123 123 PHE N N 101 108.900 113.964 -5.064 1
1 1156 . 11 1 1 A 124 124 GLY H H 102 6.670 7.470 -0.800 1
1 1157 . 11 1 1 A 124 124 GLY HA2 H 102 4.780 4.123 0.657 1
1 1158 . 11 1 1 A 124 124 GLY HA3 H 102 3.770 4.229 -0.459 1
1 1159 . 11 1 1 A 124 124 GLY C C 102 170.410 172.465 -2.055 1
1 1160 . 11 1 1 A 124 124 GLY CA C 102 44.570 43.971 0.599 1
1 1161 . 11 1 1 A 124 124 GLY N N 102 108.900 107.821 1.079 1
1 1162 . 11 1 1 A 125 125 TYR H H 103 8.210 8.543 -0.333 1
1 1163 . 11 1 1 A 125 125 TYR HA H 103 5.080 5.018 0.062 1
1 1170 . 11 1 1 A 125 125 TYR C C 103 175.980 174.905 1.075 1
1 1171 . 11 1 1 A 125 125 TYR CA C 103 56.530 57.339 -0.809 1
1 1172 . 11 1 1 A 125 125 TYR CB C 103 40.180 38.877 1.303 1
1 1175 . 11 1 1 A 125 125 TYR N N 103 123.360 121.814 1.546 1
1 1176 . 11 1 1 A 126 126 THR H H 104 8.450 8.499 -0.049 1
1 1177 . 11 1 1 A 126 126 THR HA H 104 5.630 5.512 0.118 1
1 1182 . 11 1 1 A 126 126 THR C C 104 170.010 172.347 -2.337 1
1 1183 . 11 1 1 A 126 126 THR CA C 104 58.490 60.194 -1.704 1
1 1184 . 11 1 1 A 126 126 THR CB C 104 72.110 70.821 1.289 1
1 1186 . 11 1 1 A 126 126 THR N N 104 120.720 121.823 -1.103 1
1 1187 . 11 1 1 A 127 127 PHE H H 105 8.170 8.578 -0.408 1
1 1188 . 11 1 1 A 127 127 PHE HA H 105 4.620 5.425 -0.805 1
1 1195 . 11 1 1 A 127 127 PHE C C 105 172.490 172.842 -0.352 1
1 1196 . 11 1 1 A 127 127 PHE CA C 105 56.610 56.018 0.592 1
1 1197 . 11 1 1 A 127 127 PHE CB C 105 41.710 41.526 0.184 1
1 1200 . 11 1 1 A 127 127 PHE N N 105 120.530 119.450 1.080 1
1 1201 . 11 1 1 A 128 128 THR H H 106 8.450 8.819 -0.369 1
1 1202 . 11 1 1 A 128 128 THR HA H 106 5.090 5.225 -0.135 1
1 1207 . 11 1 1 A 128 128 THR C C 106 172.750 173.983 -1.233 1
1 1208 . 11 1 1 A 128 128 THR CA C 106 63.340 61.247 2.093 1
1 1209 . 11 1 1 A 128 128 THR CB C 106 70.420 71.825 -1.405 1
1 1211 . 11 1 1 A 128 128 THR N N 106 114.010 114.856 -0.846 1
1 1212 . 11 1 1 A 129 129 ALA H H 107 10.030 9.457 0.573 1
1 1213 . 11 1 1 A 129 129 ALA HA H 107 5.540 5.449 0.091 1
1 1217 . 11 1 1 A 129 129 ALA C C 107 179.620 175.847 3.773 1
1 1218 . 11 1 1 A 129 129 ALA CA C 107 50.640 50.373 0.267 1
1 1219 . 11 1 1 A 129 129 ALA CB C 107 24.570 22.760 1.810 1
1 1220 . 11 1 1 A 129 129 ALA N N 107 135.110 129.572 5.538 1
1 1221 . 11 1 1 A 130 130 ALA H H 108 8.650 8.966 -0.316 1
1 1222 . 11 1 1 A 130 130 ALA HA H 108 5.380 5.312 0.068 1
1 1226 . 11 1 1 A 130 130 ALA C C 108 175.480 176.626 -1.146 1
1 1227 . 11 1 1 A 130 130 ALA CA C 108 50.100 50.203 -0.103 1
1 1228 . 11 1 1 A 130 130 ALA CB C 108 22.770 20.937 1.833 1
1 1229 . 11 1 1 A 130 130 ALA N N 108 121.150 121.134 0.016 1
1 1230 . 11 1 1 A 131 131 ASP H H 109 8.770 8.675 0.095 1
1 1231 . 11 1 1 A 131 131 ASP HA H 109 3.910 4.697 -0.787 1
1 1234 . 11 1 1 A 131 131 ASP CA C 109 51.290 52.290 -1.000 1
1 1235 . 11 1 1 A 131 131 ASP CB C 109 41.350 40.634 0.716 1
1 1236 . 11 1 1 A 131 131 ASP N N 109 123.100 124.671 -1.571 1
1 1237 . 11 1 1 A 132 132 PRO HA H 110 4.140 4.116 0.024 1
1 1242 . 11 1 1 A 132 132 PRO C C 110 176.890 177.427 -0.537 1
1 1243 . 11 1 1 A 132 132 PRO CA C 110 65.730 65.587 0.143 1
1 1244 . 11 1 1 A 132 132 PRO CB C 110 31.850 31.655 0.195 1
1 1246 . 11 1 1 A 133 133 ASP H H 111 8.740 7.129 1.611 1
1 1247 . 11 1 1 A 133 133 ASP HA H 111 4.800 4.566 0.234 1
1 1250 . 11 1 1 A 133 133 ASP C C 111 173.720 174.935 -1.215 1
1 1251 . 11 1 1 A 133 133 ASP CA C 111 54.140 53.293 0.847 1
1 1252 . 11 1 1 A 133 133 ASP CB C 111 42.910 40.851 2.059 1
1 1253 . 11 1 1 A 133 133 ASP N N 111 118.220 115.299 2.921 1
1 1254 . 11 1 1 A 134 134 SER H H 112 8.370 7.783 0.587 1
1 1255 . 11 1 1 A 134 134 SER HA H 112 3.710 3.996 -0.286 1
1 1258 . 11 1 1 A 134 134 SER CA C 112 60.670 58.764 1.906 1
1 1259 . 11 1 1 A 134 134 SER CB C 112 61.430 61.484 -0.054 1
1 1260 . 11 1 1 A 134 134 SER N N 112 109.220 112.749 -3.529 1
1 1261 . 11 1 1 A 135 135 HIS H H 113 8.850 7.825 1.025 1
1 1268 . 11 1 1 A 135 135 HIS N N 113 122.820 118.475 4.345 1
1 1269 . 11 1 1 A 136 136 ARG HA H 114 4.680 4.678 0.002 1
1 1270 . 11 1 1 A 136 136 ARG C C 114 175.220 175.443 -0.223 1
1 1271 . 11 1 1 A 136 136 ARG CA C 114 57.560 55.753 1.807 1
1 1272 . 11 1 1 A 137 137 LEU H H 115 8.680 9.237 -0.557 1
1 1273 . 11 1 1 A 137 137 LEU HA H 115 5.490 5.090 0.400 1
1 1282 . 11 1 1 A 137 137 LEU C C 115 174.620 176.055 -1.435 1
1 1283 . 11 1 1 A 137 137 LEU CA C 115 52.580 54.197 -1.617 1
1 1284 . 11 1 1 A 137 137 LEU CB C 115 43.070 42.303 0.767 1
1 1287 . 11 1 1 A 137 137 LEU N N 115 123.990 126.893 -2.903 1
1 1288 . 11 1 1 A 138 138 ARG H H 116 9.510 9.146 0.364 1
1 1289 . 11 1 1 A 138 138 ARG HA H 116 5.120 5.131 -0.011 1
1 1292 . 11 1 1 A 138 138 ARG C C 116 175.090 175.452 -0.362 1
1 1293 . 11 1 1 A 138 138 ARG CA C 116 54.700 55.686 -0.986 1
1 1294 . 11 1 1 A 138 138 ARG CB C 116 33.480 31.949 1.531 1
1 1295 . 11 1 1 A 138 138 ARG N N 116 125.370 124.643 0.727 1
1 1296 . 11 1 1 A 139 139 VAL H H 117 7.970 8.205 -0.235 1
1 1297 . 11 1 1 A 139 139 VAL HA H 117 5.280 5.274 0.006 1
1 1305 . 11 1 1 A 139 139 VAL C C 117 176.390 175.114 1.276 1
1 1306 . 11 1 1 A 139 139 VAL CA C 117 60.090 60.973 -0.883 1
1 1307 . 11 1 1 A 139 139 VAL CB C 117 32.690 34.585 -1.895 1
1 1310 . 11 1 1 A 139 139 VAL N N 117 128.260 121.811 6.449 1
1 1311 . 11 1 1 A 140 140 TYR H H 118 9.200 8.649 0.551 1
1 1312 . 11 1 1 A 140 140 TYR HA H 118 5.800 5.857 -0.057 1
1 1319 . 11 1 1 A 140 140 TYR C C 118 170.820 173.015 -2.195 1
1 1320 . 11 1 1 A 140 140 TYR CA C 118 56.060 55.360 0.700 1
1 1321 . 11 1 1 A 140 140 TYR CB C 118 42.460 41.341 1.119 1
1 1324 . 11 1 1 A 140 140 TYR N N 118 127.020 123.859 3.161 1
1 1325 . 11 1 1 A 141 141 ALA H H 119 8.330 8.997 -0.667 1
1 1326 . 11 1 1 A 141 141 ALA HA H 119 4.560 5.019 -0.459 1
1 1330 . 11 1 1 A 141 141 ALA C C 119 177.150 175.881 1.269 1
1 1331 . 11 1 1 A 141 141 ALA CA C 119 50.530 50.837 -0.307 1
1 1332 . 11 1 1 A 141 141 ALA CB C 119 21.220 21.765 -0.545 1
1 1333 . 11 1 1 A 141 141 ALA N N 119 121.160 122.246 -1.086 1
1 1334 . 11 1 1 A 142 142 PHE H H 120 8.780 9.141 -0.361 1
1 1335 . 11 1 1 A 142 142 PHE HA H 120 4.910 5.005 -0.095 1
1 1340 . 11 1 1 A 142 142 PHE C C 120 175.090 174.250 0.840 1
1 1341 . 11 1 1 A 142 142 PHE CA C 120 57.720 57.640 0.080 1
1 1342 . 11 1 1 A 142 142 PHE CB C 120 40.810 39.773 1.037 1
1 1344 . 11 1 1 A 142 142 PHE N N 120 122.630 126.354 -3.724 1
1 1345 . 11 1 1 A 143 143 ALA H H 121 8.190 8.405 -0.215 1
1 1346 . 11 1 1 A 143 143 ALA HA H 121 4.330 4.277 0.053 1
1 1350 . 11 1 1 A 143 143 ALA C C 121 176.260 177.596 -1.336 1
1 1351 . 11 1 1 A 143 143 ALA CA C 121 52.280 52.460 -0.180 1
1 1352 . 11 1 1 A 143 143 ALA CB C 121 19.310 18.506 0.804 1
1 1353 . 11 1 1 A 143 143 ALA N N 121 129.460 129.836 -0.376 1
1 16 . 12 1 1 A 24 24 THR H H 2 8.350 8.059 0.291 1
1 17 . 12 1 1 A 24 24 THR HA H 2 4.470 4.548 -0.078 1
1 22 . 12 1 1 A 24 24 THR CA C 2 61.890 63.089 -1.199 1
1 23 . 12 1 1 A 24 24 THR CB C 2 69.630 69.511 0.119 1
1 25 . 12 1 1 A 24 24 THR N N 2 117.720 114.589 3.131 1
1 26 . 12 1 1 A 25 25 HIS H H 3 8.630 9.094 -0.464 1
1 27 . 12 1 1 A 25 25 HIS HA H 3 5.200 5.023 0.177 1
1 30 . 12 1 1 A 25 25 HIS CA C 3 51.620 54.275 -2.655 1
1 31 . 12 1 1 A 25 25 HIS CB C 3 33.320 30.774 2.546 1
1 32 . 12 1 1 A 25 25 HIS N N 3 124.890 125.866 -0.976 1
1 33 . 12 1 1 A 26 26 PRO HA H 4 4.170 4.853 -0.683 1
1 40 . 12 1 1 A 26 26 PRO C C 4 175.740 176.844 -1.104 1
1 41 . 12 1 1 A 26 26 PRO CA C 4 62.740 62.107 0.633 1
1 42 . 12 1 1 A 26 26 PRO CB C 4 31.460 30.348 1.112 1
1 45 . 12 1 1 A 27 27 ASP H H 5 8.270 8.502 -0.232 1
1 46 . 12 1 1 A 27 27 ASP HA H 5 4.810 4.703 0.107 1
1 49 . 12 1 1 A 27 27 ASP C C 5 175.400 175.480 -0.080 1
1 50 . 12 1 1 A 27 27 ASP CA C 5 53.310 53.980 -0.670 1
1 51 . 12 1 1 A 27 27 ASP CB C 5 42.390 40.346 2.044 1
1 52 . 12 1 1 A 27 27 ASP N N 5 119.440 121.257 -1.817 1
1 53 . 12 1 1 A 28 28 PHE H H 6 7.280 7.843 -0.563 1
1 54 . 12 1 1 A 28 28 PHE HA H 6 5.440 5.264 0.176 1
1 61 . 12 1 1 A 28 28 PHE C C 6 174.180 173.288 0.892 1
1 62 . 12 1 1 A 28 28 PHE CA C 6 54.590 55.521 -0.931 1
1 63 . 12 1 1 A 28 28 PHE CB C 6 42.310 41.732 0.578 1
1 66 . 12 1 1 A 28 28 PHE N N 6 118.410 120.960 -2.550 1
1 67 . 12 1 1 A 29 29 THR H H 7 8.500 9.516 -1.016 1
1 68 . 12 1 1 A 29 29 THR HA H 7 4.800 5.148 -0.348 1
1 73 . 12 1 1 A 29 29 THR C C 7 172.280 172.956 -0.676 1
1 74 . 12 1 1 A 29 29 THR CA C 7 62.550 59.877 2.673 1
1 75 . 12 1 1 A 29 29 THR CB C 7 70.420 71.621 -1.201 1
1 77 . 12 1 1 A 29 29 THR N N 7 123.070 122.126 0.944 1
1 78 . 12 1 1 A 30 30 ILE H H 8 9.270 9.139 0.131 1
1 79 . 12 1 1 A 30 30 ILE HA H 8 4.680 4.841 -0.161 1
1 89 . 12 1 1 A 30 30 ILE C C 8 173.970 174.752 -0.782 1
1 90 . 12 1 1 A 30 30 ILE CA C 8 59.220 60.012 -0.792 1
1 91 . 12 1 1 A 30 30 ILE CB C 8 40.210 41.776 -1.566 1
1 95 . 12 1 1 A 30 30 ILE N N 8 126.920 126.849 0.071 1
1 96 . 12 1 1 A 31 31 LEU H H 9 8.760 8.882 -0.122 1
1 97 . 12 1 1 A 31 31 LEU HA H 9 4.330 4.942 -0.612 1
1 107 . 12 1 1 A 31 31 LEU C C 9 176.520 175.241 1.279 1
1 108 . 12 1 1 A 31 31 LEU CA C 9 52.960 53.681 -0.721 1
1 109 . 12 1 1 A 31 31 LEU CB C 9 41.820 42.133 -0.313 1
1 113 . 12 1 1 A 31 31 LEU N N 9 126.000 127.799 -1.799 1
1 114 . 12 1 1 A 32 32 TYR H H 10 8.190 9.023 -0.833 1
1 115 . 12 1 1 A 32 32 TYR HA H 10 5.980 4.891 1.089 1
1 118 . 12 1 1 A 32 32 TYR C C 10 177.720 174.884 2.836 1
1 119 . 12 1 1 A 32 32 TYR CA C 10 53.120 56.818 -3.698 1
1 120 . 12 1 1 A 32 32 TYR CB C 10 36.560 38.675 -2.115 1
1 121 . 12 1 1 A 32 32 TYR N N 10 122.130 126.405 -4.275 1
1 122 . 12 1 1 A 33 33 VAL H H 11 8.470 8.698 -0.228 1
1 123 . 12 1 1 A 33 33 VAL HA H 11 4.990 5.025 -0.035 1
1 131 . 12 1 1 A 33 33 VAL C C 11 176.030 175.201 0.829 1
1 132 . 12 1 1 A 33 33 VAL CA C 11 58.240 59.103 -0.863 1
1 133 . 12 1 1 A 33 33 VAL CB C 11 35.090 34.834 0.256 1
1 136 . 12 1 1 A 33 33 VAL N N 11 113.820 122.232 -8.412 1
1 137 . 12 1 1 A 34 34 ASP H H 12 9.750 8.848 0.902 1
1 138 . 12 1 1 A 34 34 ASP HA H 12 4.550 4.766 -0.216 1
1 141 . 12 1 1 A 34 34 ASP C C 12 177.230 175.770 1.460 1
1 142 . 12 1 1 A 34 34 ASP CA C 12 58.000 55.574 2.426 1
1 143 . 12 1 1 A 34 34 ASP CB C 12 42.780 42.264 0.516 1
1 144 . 12 1 1 A 34 34 ASP N N 12 124.140 121.498 2.642 1
1 145 . 12 1 1 A 35 35 ASN H H 13 9.250 7.802 1.448 1
1 146 . 12 1 1 A 35 35 ASN HA H 13 5.120 4.960 0.160 1
1 151 . 12 1 1 A 35 35 ASN CA C 13 50.610 50.088 0.522 1
1 152 . 12 1 1 A 35 35 ASN CB C 13 39.920 39.196 0.724 1
1 153 . 12 1 1 A 35 35 ASN N N 13 114.460 116.647 -2.187 1
1 155 . 12 1 1 A 37 37 PRO HA H 15 4.350 4.315 0.035 1
1 162 . 12 1 1 A 37 37 PRO C C 15 179.310 178.850 0.460 1
1 163 . 12 1 1 A 37 37 PRO CA C 15 67.480 66.115 1.365 1
1 164 . 12 1 1 A 37 37 PRO CB C 15 31.340 30.456 0.884 1
1 167 . 12 1 1 A 38 38 ALA H H 16 7.740 8.229 -0.489 1
1 168 . 12 1 1 A 38 38 ALA HA H 16 4.310 4.112 0.198 1
1 172 . 12 1 1 A 38 38 ALA C C 16 182.490 179.986 2.504 1
1 173 . 12 1 1 A 38 38 ALA CA C 16 55.160 55.252 -0.092 1
1 174 . 12 1 1 A 38 38 ALA CB C 16 18.360 18.229 0.131 1
1 175 . 12 1 1 A 38 38 ALA N N 16 121.510 119.893 1.617 1
1 176 . 12 1 1 A 39 39 SER H H 17 8.770 7.979 0.791 1
1 177 . 12 1 1 A 39 39 SER HA H 17 4.190 4.471 -0.281 1
1 180 . 12 1 1 A 39 39 SER C C 17 175.610 177.426 -1.816 1
1 181 . 12 1 1 A 39 39 SER CA C 17 64.260 61.673 2.587 1
1 182 . 12 1 1 A 39 39 SER CB C 17 62.790 62.475 0.315 1
1 183 . 12 1 1 A 39 39 SER N N 17 117.520 113.348 4.172 1
1 184 . 12 1 1 A 40 40 THR H H 18 9.310 7.960 1.350 1
1 185 . 12 1 1 A 40 40 THR HA H 18 4.480 4.152 0.328 1
1 190 . 12 1 1 A 40 40 THR C C 18 175.590 176.740 -1.150 1
1 191 . 12 1 1 A 40 40 THR CA C 18 68.130 67.179 0.951 1
1 192 . 12 1 1 A 40 40 THR CB C 18 68.480 68.889 -0.409 1
1 194 . 12 1 1 A 40 40 THR N N 18 120.600 116.980 3.620 1
1 195 . 12 1 1 A 41 41 GLN H H 19 7.610 7.898 -0.288 1
1 196 . 12 1 1 A 41 41 GLN HA H 19 4.080 4.216 -0.136 1
1 203 . 12 1 1 A 41 41 GLN C C 19 178.110 178.219 -0.109 1
1 204 . 12 1 1 A 41 41 GLN CA C 19 59.170 59.075 0.095 1
1 205 . 12 1 1 A 41 41 GLN CB C 19 28.170 28.770 -0.600 1
1 207 . 12 1 1 A 41 41 GLN N N 19 120.130 119.373 0.757 1
1 209 . 12 1 1 A 42 42 PHE H H 20 7.710 7.896 -0.186 1
1 210 . 12 1 1 A 42 42 PHE HA H 20 4.080 4.249 -0.169 1
1 218 . 12 1 1 A 42 42 PHE C C 20 177.460 177.288 0.172 1
1 219 . 12 1 1 A 42 42 PHE CA C 20 61.760 61.527 0.233 1
1 220 . 12 1 1 A 42 42 PHE CB C 20 38.590 38.864 -0.274 1
1 224 . 12 1 1 A 42 42 PHE N N 20 120.560 121.952 -1.392 1
1 225 . 12 1 1 A 43 43 TYR H H 21 8.890 8.507 0.383 1
1 226 . 12 1 1 A 43 43 TYR HA H 21 3.700 4.114 -0.414 1
1 233 . 12 1 1 A 43 43 TYR C C 21 177.640 178.160 -0.520 1
1 234 . 12 1 1 A 43 43 TYR CA C 21 64.290 61.328 2.962 1
1 235 . 12 1 1 A 43 43 TYR CB C 21 38.110 37.048 1.062 1
1 238 . 12 1 1 A 43 43 TYR N N 21 118.420 117.590 0.830 1
1 239 . 12 1 1 A 44 44 LYS H H 22 8.860 8.233 0.627 1
1 240 . 12 1 1 A 44 44 LYS HA H 22 4.630 4.390 0.240 1
1 249 . 12 1 1 A 44 44 LYS C C 22 179.780 179.165 0.615 1
1 250 . 12 1 1 A 44 44 LYS CA C 22 59.630 59.767 -0.137 1
1 251 . 12 1 1 A 44 44 LYS CB C 22 33.210 32.550 0.660 1
1 255 . 12 1 1 A 44 44 LYS N N 22 122.200 120.312 1.888 1
1 256 . 12 1 1 A 45 45 ALA H H 23 7.180 7.510 -0.330 1
1 257 . 12 1 1 A 45 45 ALA HA H 23 4.040 4.101 -0.061 1
1 261 . 12 1 1 A 45 45 ALA C C 23 179.130 180.012 -0.882 1
1 262 . 12 1 1 A 45 45 ALA CA C 23 54.350 54.730 -0.380 1
1 263 . 12 1 1 A 45 45 ALA CB C 23 18.030 18.462 -0.432 1
1 264 . 12 1 1 A 45 45 ALA N N 23 120.710 121.581 -0.871 1
1 265 . 12 1 1 A 46 46 LEU H H 24 7.510 7.707 -0.197 1
1 266 . 12 1 1 A 46 46 LEU HA H 24 3.550 3.826 -0.276 1
1 276 . 12 1 1 A 46 46 LEU C C 24 178.680 178.659 0.021 1
1 277 . 12 1 1 A 46 46 LEU CA C 24 57.910 57.916 -0.006 1
1 278 . 12 1 1 A 46 46 LEU CB C 24 43.950 41.212 2.738 1
1 282 . 12 1 1 A 46 46 LEU N N 24 118.650 120.168 -1.518 1
1 283 . 12 1 1 A 47 47 LEU H H 25 8.800 7.643 1.157 1
1 284 . 12 1 1 A 47 47 LEU HA H 25 4.480 4.168 0.312 1
1 294 . 12 1 1 A 47 47 LEU C C 25 178.960 177.059 1.901 1
1 295 . 12 1 1 A 47 47 LEU CA C 25 55.010 56.586 -1.576 1
1 296 . 12 1 1 A 47 47 LEU CB C 25 42.500 42.550 -0.050 1
1 300 . 12 1 1 A 47 47 LEU N N 25 112.540 118.259 -5.719 1
1 301 . 12 1 1 A 48 48 GLY H H 26 7.810 7.776 0.034 1
1 302 . 12 1 1 A 48 48 GLY HA2 H 26 4.030 4.023 0.007 1
1 303 . 12 1 1 A 48 48 GLY HA3 H 26 3.900 4.029 -0.129 1
1 304 . 12 1 1 A 48 48 GLY C C 26 173.560 173.768 -0.208 1
1 305 . 12 1 1 A 48 48 GLY CA C 26 46.810 45.328 1.482 1
1 306 . 12 1 1 A 48 48 GLY N N 26 107.650 105.871 1.779 1
1 307 . 12 1 1 A 49 49 VAL H H 27 7.100 7.249 -0.149 1
1 308 . 12 1 1 A 49 49 VAL HA H 27 4.700 4.896 -0.196 1
1 316 . 12 1 1 A 49 49 VAL C C 27 172.980 173.955 -0.975 1
1 317 . 12 1 1 A 49 49 VAL CA C 27 58.680 59.233 -0.553 1
1 318 . 12 1 1 A 49 49 VAL CB C 27 36.090 36.267 -0.177 1
1 321 . 12 1 1 A 49 49 VAL N N 27 110.770 115.111 -4.341 1
1 322 . 12 1 1 A 50 50 ASP H H 28 8.100 8.855 -0.755 1
1 323 . 12 1 1 A 50 50 ASP HA H 28 4.930 5.456 -0.526 1
1 326 . 12 1 1 A 50 50 ASP CA C 28 52.550 51.434 1.116 1
1 327 . 12 1 1 A 50 50 ASP CB C 28 40.520 43.084 -2.564 1
1 328 . 12 1 1 A 50 50 ASP N N 28 119.760 120.231 -0.471 1
1 329 . 12 1 1 A 51 51 PRO HA H 29 3.700 3.996 -0.296 1
1 336 . 12 1 1 A 51 51 PRO C C 29 176.580 177.432 -0.852 1
1 337 . 12 1 1 A 51 51 PRO CA C 29 62.900 62.209 0.691 1
1 338 . 12 1 1 A 51 51 PRO CB C 29 30.550 31.102 -0.552 1
1 341 . 12 1 1 A 52 52 VAL H H 30 8.340 8.122 0.218 1
1 342 . 12 1 1 A 52 52 VAL HA H 30 4.080 3.920 0.160 1
1 350 . 12 1 1 A 52 52 VAL C C 30 176.190 175.530 0.660 1
1 351 . 12 1 1 A 52 52 VAL CA C 30 62.790 63.931 -1.141 1
1 352 . 12 1 1 A 52 52 VAL CB C 30 32.280 32.314 -0.034 1
1 355 . 12 1 1 A 52 52 VAL N N 30 117.320 124.704 -7.384 1
1 356 . 12 1 1 A 53 53 GLU H H 31 7.170 7.469 -0.299 1
1 357 . 12 1 1 A 53 53 GLU HA H 31 4.580 4.869 -0.289 1
1 362 . 12 1 1 A 53 53 GLU C C 31 174.940 175.552 -0.612 1
1 363 . 12 1 1 A 53 53 GLU CA C 31 55.330 54.909 0.421 1
1 364 . 12 1 1 A 53 53 GLU CB C 31 33.370 32.468 0.902 1
1 366 . 12 1 1 A 53 53 GLU N N 31 118.180 120.282 -2.102 1
1 367 . 12 1 1 A 54 54 SER H H 32 8.650 8.670 -0.020 1
1 368 . 12 1 1 A 54 54 SER HA H 32 5.130 5.256 -0.126 1
1 371 . 12 1 1 A 54 54 SER C C 32 171.990 173.125 -1.135 1
1 372 . 12 1 1 A 54 54 SER CA C 32 57.940 57.059 0.881 1
1 373 . 12 1 1 A 54 54 SER CB C 32 64.720 65.657 -0.937 1
1 374 . 12 1 1 A 54 54 SER N N 32 117.210 117.194 0.016 1
1 375 . 12 1 1 A 55 55 SER H H 33 8.760 8.710 0.050 1
1 376 . 12 1 1 A 55 55 SER N N 33 124.420 117.680 6.740 1
1 377 . 12 1 1 A 56 56 PRO HA H 34 4.320 4.455 -0.135 1
1 382 . 12 1 1 A 56 56 PRO C C 34 177.290 177.115 0.175 1
1 383 . 12 1 1 A 56 56 PRO CA C 34 65.750 64.362 1.388 1
1 384 . 12 1 1 A 56 56 PRO CB C 34 32.490 31.950 0.540 1
1 386 . 12 1 1 A 57 57 THR H H 35 7.810 8.243 -0.433 1
1 387 . 12 1 1 A 57 57 THR HA H 35 4.630 4.725 -0.095 1
1 392 . 12 1 1 A 57 57 THR C C 35 174.080 173.909 0.171 1
1 393 . 12 1 1 A 57 57 THR CA C 35 61.860 61.536 0.324 1
1 394 . 12 1 1 A 57 57 THR CB C 35 70.940 70.735 0.205 1
1 396 . 12 1 1 A 57 57 THR N N 35 101.710 111.013 -9.303 1
1 397 . 12 1 1 A 58 58 PHE H H 36 7.670 7.328 0.342 1
1 398 . 12 1 1 A 58 58 PHE HA H 36 5.780 4.744 1.036 1
1 405 . 12 1 1 A 58 58 PHE CA C 36 57.820 57.878 -0.058 1
1 406 . 12 1 1 A 58 58 PHE CB C 36 43.010 42.384 0.626 1
1 409 . 12 1 1 A 58 58 PHE N N 36 124.370 120.440 3.930 1
1 410 . 12 1 1 A 59 59 SER H H 37 8.070 7.802 0.268 1
1 411 . 12 1 1 A 59 59 SER HA H 37 4.890 5.337 -0.447 1
1 414 . 12 1 1 A 59 59 SER C C 37 170.010 172.613 -2.603 1
1 415 . 12 1 1 A 59 59 SER CA C 37 56.660 56.954 -0.294 1
1 416 . 12 1 1 A 59 59 SER CB C 37 67.490 65.842 1.648 1
1 417 . 12 1 1 A 59 59 SER N N 37 122.930 122.478 0.452 1
1 418 . 12 1 1 A 60 60 LEU H H 38 8.140 8.507 -0.367 1
1 419 . 12 1 1 A 60 60 LEU HA H 38 4.810 4.896 -0.086 1
1 429 . 12 1 1 A 60 60 LEU C C 38 174.000 174.416 -0.416 1
1 430 . 12 1 1 A 60 60 LEU CA C 38 53.750 53.832 -0.082 1
1 431 . 12 1 1 A 60 60 LEU CB C 38 47.250 45.806 1.444 1
1 435 . 12 1 1 A 60 60 LEU N N 38 122.030 123.941 -1.911 1
1 436 . 12 1 1 A 61 61 PHE H H 39 9.460 9.245 0.215 1
1 437 . 12 1 1 A 61 61 PHE HA H 39 4.580 5.128 -0.548 1
1 444 . 12 1 1 A 61 61 PHE C C 39 174.390 174.776 -0.386 1
1 445 . 12 1 1 A 61 61 PHE CA C 39 57.180 56.682 0.498 1
1 446 . 12 1 1 A 61 61 PHE CB C 39 41.570 42.170 -0.600 1
1 449 . 12 1 1 A 61 61 PHE N N 39 124.820 126.404 -1.584 1
1 450 . 12 1 1 A 62 62 VAL H H 40 8.640 9.042 -0.402 1
1 451 . 12 1 1 A 62 62 VAL HA H 40 4.260 4.830 -0.570 1
1 459 . 12 1 1 A 62 62 VAL C C 40 175.380 174.865 0.515 1
1 460 . 12 1 1 A 62 62 VAL CA C 40 62.520 60.898 1.622 1
1 461 . 12 1 1 A 62 62 VAL CB C 40 32.470 34.497 -2.027 1
1 464 . 12 1 1 A 62 62 VAL N N 40 122.650 121.623 1.027 1
1 465 . 12 1 1 A 63 63 LEU H H 41 8.710 8.609 0.101 1
1 466 . 12 1 1 A 63 63 LEU HA H 41 4.590 4.756 -0.166 1
1 476 . 12 1 1 A 63 63 LEU CA C 41 53.560 53.297 0.263 1
1 477 . 12 1 1 A 63 63 LEU CB C 41 41.600 43.180 -1.580 1
1 481 . 12 1 1 A 63 63 LEU N N 41 126.170 127.735 -1.565 1
1 482 . 12 1 1 A 64 64 ALA HA H 42 4.040 4.139 -0.099 1
1 486 . 12 1 1 A 64 64 ALA CA C 42 55.050 54.103 0.947 1
1 487 . 12 1 1 A 64 64 ALA CB C 42 18.580 18.587 -0.007 1
1 488 . 12 1 1 A 65 65 ASN H H 43 7.680 7.888 -0.208 1
1 489 . 12 1 1 A 65 65 ASN HA H 43 4.520 4.703 -0.183 1
1 494 . 12 1 1 A 65 65 ASN C C 43 175.860 175.742 0.118 1
1 495 . 12 1 1 A 65 65 ASN CA C 43 52.530 53.283 -0.753 1
1 496 . 12 1 1 A 65 65 ASN CB C 43 37.800 38.662 -0.862 1
1 497 . 12 1 1 A 65 65 ASN N N 43 112.130 115.034 -2.904 1
1 499 . 12 1 1 A 66 66 GLY H H 44 8.070 7.972 0.098 1
1 500 . 12 1 1 A 66 66 GLY HA2 H 44 4.330 3.949 0.381 1
1 501 . 12 1 1 A 66 66 GLY HA3 H 44 3.480 3.953 -0.473 1
1 502 . 12 1 1 A 66 66 GLY C C 44 174.260 173.831 0.429 1
1 503 . 12 1 1 A 66 66 GLY CA C 44 44.930 45.275 -0.345 1
1 504 . 12 1 1 A 66 66 GLY N N 44 107.650 106.923 0.727 1
1 505 . 12 1 1 A 67 67 MET H H 45 7.900 7.699 0.201 1
1 506 . 12 1 1 A 67 67 MET HA H 45 4.420 5.099 -0.679 1
1 514 . 12 1 1 A 67 67 MET CA C 45 55.520 53.420 2.100 1
1 515 . 12 1 1 A 67 67 MET CB C 45 33.630 36.329 -2.699 1
1 518 . 12 1 1 A 67 67 MET N N 45 121.850 116.083 5.767 1
1 519 . 12 1 1 A 68 68 LYS HA H 46 5.040 4.987 0.053 1
1 528 . 12 1 1 A 68 68 LYS C C 46 174.600 174.403 0.197 1
1 529 . 12 1 1 A 68 68 LYS CA C 46 55.410 55.533 -0.123 1
1 530 . 12 1 1 A 68 68 LYS CB C 46 34.460 36.025 -1.565 1
1 534 . 12 1 1 A 69 69 LEU H H 47 8.830 9.004 -0.174 1
1 535 . 12 1 1 A 69 69 LEU HA H 47 5.450 5.614 -0.164 1
1 545 . 12 1 1 A 69 69 LEU C C 47 174.880 175.503 -0.623 1
1 546 . 12 1 1 A 69 69 LEU CA C 47 52.980 53.905 -0.925 1
1 547 . 12 1 1 A 69 69 LEU CB C 47 46.560 45.489 1.071 1
1 551 . 12 1 1 A 69 69 LEU N N 47 124.960 126.776 -1.816 1
1 552 . 12 1 1 A 70 70 GLY H H 48 9.580 9.631 -0.051 1
1 553 . 12 1 1 A 70 70 GLY HA2 H 48 5.220 4.316 0.904 1
1 554 . 12 1 1 A 70 70 GLY HA3 H 48 3.090 4.480 -1.390 1
1 555 . 12 1 1 A 70 70 GLY C C 48 170.590 172.056 -1.466 1
1 556 . 12 1 1 A 70 70 GLY CA C 48 43.370 44.330 -0.960 1
1 557 . 12 1 1 A 70 70 GLY N N 48 113.940 114.449 -0.509 1
1 558 . 12 1 1 A 71 71 LEU H H 49 8.250 8.127 0.123 1
1 559 . 12 1 1 A 71 71 LEU HA H 49 5.150 4.845 0.305 1
1 569 . 12 1 1 A 71 71 LEU C C 49 173.920 174.329 -0.409 1
1 570 . 12 1 1 A 71 71 LEU CA C 49 52.770 53.533 -0.763 1
1 571 . 12 1 1 A 71 71 LEU CB C 49 43.100 43.866 -0.766 1
1 575 . 12 1 1 A 71 71 LEU N N 49 122.270 121.042 1.228 1
1 576 . 12 1 1 A 72 72 TRP H H 50 8.960 8.798 0.162 1
1 577 . 12 1 1 A 72 72 TRP HA H 50 5.860 5.593 0.267 1
1 584 . 12 1 1 A 72 72 TRP C C 50 175.740 175.306 0.434 1
1 585 . 12 1 1 A 72 72 TRP CA C 50 53.170 54.935 -1.765 1
1 586 . 12 1 1 A 72 72 TRP CB C 50 34.990 31.672 3.318 1
1 590 . 12 1 1 A 72 72 TRP N N 50 125.010 128.162 -3.152 1
1 592 . 12 1 1 A 73 73 SER H H 51 9.010 9.080 -0.070 1
1 593 . 12 1 1 A 73 73 SER HA H 51 4.570 5.126 -0.556 1
1 596 . 12 1 1 A 73 73 SER C C 51 176.240 175.871 0.369 1
1 597 . 12 1 1 A 73 73 SER CA C 51 58.490 57.444 1.046 1
1 598 . 12 1 1 A 73 73 SER CB C 51 63.770 64.340 -0.570 1
1 599 . 12 1 1 A 73 73 SER N N 51 120.380 118.952 1.428 1
1 600 . 12 1 1 A 74 74 ARG H H 52 9.420 8.632 0.788 1
1 601 . 12 1 1 A 74 74 ARG HA H 52 3.460 3.809 -0.349 1
1 608 . 12 1 1 A 74 74 ARG C C 52 175.610 176.768 -1.158 1
1 609 . 12 1 1 A 74 74 ARG CA C 52 57.590 58.009 -0.419 1
1 610 . 12 1 1 A 74 74 ARG CB C 52 28.900 29.514 -0.614 1
1 613 . 12 1 1 A 74 74 ARG N N 52 128.770 121.846 6.924 1
1 614 . 12 1 1 A 75 75 HIS H H 53 7.910 8.011 -0.101 1
1 615 . 12 1 1 A 75 75 HIS HA H 53 4.310 4.530 -0.220 1
1 619 . 12 1 1 A 75 75 HIS C C 53 176.610 175.471 1.139 1
1 620 . 12 1 1 A 75 75 HIS CA C 53 57.190 57.094 0.096 1
1 621 . 12 1 1 A 75 75 HIS CB C 53 31.260 29.354 1.906 1
1 623 . 12 1 1 A 75 75 HIS N N 53 117.320 116.426 0.894 1
1 624 . 12 1 1 A 76 76 THR H H 54 7.360 7.601 -0.241 1
1 625 . 12 1 1 A 76 76 THR HA H 54 4.540 4.519 0.021 1
1 630 . 12 1 1 A 76 76 THR C C 54 175.120 174.242 0.878 1
1 631 . 12 1 1 A 76 76 THR CA C 54 61.840 61.183 0.657 1
1 632 . 12 1 1 A 76 76 THR CB C 54 69.680 69.799 -0.119 1
1 634 . 12 1 1 A 76 76 THR N N 54 107.350 113.561 -6.211 1
1 635 . 12 1 1 A 77 77 VAL H H 55 6.630 7.425 -0.795 1
1 636 . 12 1 1 A 77 77 VAL HA H 55 2.700 4.028 -1.328 1
1 644 . 12 1 1 A 77 77 VAL C C 55 173.920 175.248 -1.328 1
1 645 . 12 1 1 A 77 77 VAL CA C 55 63.500 62.393 1.107 1
1 646 . 12 1 1 A 77 77 VAL CB C 55 31.270 32.279 -1.009 1
1 649 . 12 1 1 A 77 77 VAL N N 55 123.760 122.381 1.379 1
1 650 . 12 1 1 A 78 78 GLU H H 56 6.010 8.433 -2.423 1
1 651 . 12 1 1 A 78 78 GLU HA H 56 4.160 4.822 -0.662 1
1 656 . 12 1 1 A 78 78 GLU CA C 56 53.120 52.474 0.646 1
1 657 . 12 1 1 A 78 78 GLU CB C 56 32.240 31.169 1.071 1
1 659 . 12 1 1 A 78 78 GLU N N 56 124.820 127.378 -2.558 1
1 660 . 12 1 1 A 79 79 PRO HA H 57 4.620 4.647 -0.027 1
1 667 . 12 1 1 A 79 79 PRO C C 57 176.190 176.320 -0.130 1
1 668 . 12 1 1 A 79 79 PRO CA C 57 61.890 62.450 -0.560 1
1 669 . 12 1 1 A 79 79 PRO CB C 57 33.620 32.130 1.490 1
1 672 . 12 1 1 A 80 80 LYS H H 58 8.340 8.423 -0.083 1
1 673 . 12 1 1 A 80 80 LYS HA H 58 3.880 4.427 -0.547 1
1 682 . 12 1 1 A 80 80 LYS C C 58 177.100 175.671 1.429 1
1 683 . 12 1 1 A 80 80 LYS CA C 58 57.610 56.925 0.685 1
1 684 . 12 1 1 A 80 80 LYS CB C 58 32.400 32.678 -0.278 1
1 688 . 12 1 1 A 80 80 LYS N N 58 121.510 121.687 -0.177 1
1 689 . 12 1 1 A 81 81 ALA H H 59 8.430 8.837 -0.407 1
1 690 . 12 1 1 A 81 81 ALA HA H 59 4.870 4.913 -0.043 1
1 694 . 12 1 1 A 81 81 ALA C C 59 177.460 175.562 1.898 1
1 695 . 12 1 1 A 81 81 ALA CA C 59 51.020 51.366 -0.346 1
1 696 . 12 1 1 A 81 81 ALA CB C 59 22.910 24.310 -1.400 1
1 697 . 12 1 1 A 81 81 ALA N N 59 129.030 128.654 0.376 1
1 698 . 12 1 1 A 82 82 SER H H 60 9.680 8.756 0.924 1
1 699 . 12 1 1 A 82 82 SER HA H 60 4.510 5.026 -0.516 1
1 702 . 12 1 1 A 82 82 SER C C 60 172.960 172.561 0.399 1
1 703 . 12 1 1 A 82 82 SER CA C 60 58.350 57.485 0.865 1
1 704 . 12 1 1 A 82 82 SER CB C 60 65.150 64.042 1.108 1
1 705 . 12 1 1 A 82 82 SER N N 60 115.930 114.815 1.115 1
1 706 . 12 1 1 A 83 83 VAL H H 61 7.450 9.149 -1.699 1
1 707 . 12 1 1 A 83 83 VAL HA H 61 4.260 5.225 -0.965 1
1 715 . 12 1 1 A 83 83 VAL CA C 61 60.940 59.721 1.219 1
1 716 . 12 1 1 A 83 83 VAL CB C 61 35.360 36.309 -0.949 1
1 719 . 12 1 1 A 83 83 VAL N N 61 121.550 122.829 -1.279 1
1 720 . 12 1 1 A 84 84 THR H H 62 7.850 8.838 -0.988 1
1 721 . 12 1 1 A 84 84 THR HA H 62 4.750 5.288 -0.538 1
1 726 . 12 1 1 A 84 84 THR C C 62 174.040 173.260 0.780 1
1 727 . 12 1 1 A 84 84 THR CA C 62 59.370 60.180 -0.810 1
1 728 . 12 1 1 A 84 84 THR CB C 62 68.800 71.546 -2.746 1
1 730 . 12 1 1 A 84 84 THR N N 62 111.040 114.083 -3.043 1
1 731 . 12 1 1 A 85 85 GLY H H 63 7.950 8.294 -0.344 1
1 732 . 12 1 1 A 85 85 GLY HA2 H 63 3.480 4.141 -0.661 1
1 733 . 12 1 1 A 85 85 GLY HA3 H 63 2.950 4.143 -1.193 1
1 734 . 12 1 1 A 85 85 GLY C C 63 174.140 173.069 1.071 1
1 735 . 12 1 1 A 85 85 GLY CA C 63 45.490 45.998 -0.508 1
1 736 . 12 1 1 A 85 85 GLY N N 63 109.700 108.884 0.816 1
1 737 . 12 1 1 A 86 86 GLY H H 64 8.530 7.830 0.700 1
1 738 . 12 1 1 A 86 86 GLY HA2 H 64 4.550 4.154 0.396 1
1 739 . 12 1 1 A 86 86 GLY HA3 H 64 3.700 4.171 -0.471 1
1 740 . 12 1 1 A 86 86 GLY C C 64 174.700 173.529 1.171 1
1 741 . 12 1 1 A 86 86 GLY CA C 64 45.600 45.474 0.126 1
1 742 . 12 1 1 A 86 86 GLY N N 64 107.420 105.305 2.115 1
1 743 . 12 1 1 A 87 87 GLY H H 65 9.280 8.013 1.267 1
1 744 . 12 1 1 A 87 87 GLY HA2 H 65 4.860 3.968 0.892 1
1 745 . 12 1 1 A 87 87 GLY HA3 H 65 4.160 3.975 0.185 1
1 746 . 12 1 1 A 87 87 GLY C C 65 172.640 173.765 -1.125 1
1 747 . 12 1 1 A 87 87 GLY CA C 65 45.630 45.480 0.150 1
1 748 . 12 1 1 A 87 87 GLY N N 65 111.380 109.375 2.005 1
1 749 . 12 1 1 A 88 88 GLY H H 66 6.610 7.624 -1.014 1
1 750 . 12 1 1 A 88 88 GLY HA2 H 66 4.020 4.080 -0.060 1
1 751 . 12 1 1 A 88 88 GLY HA3 H 66 2.360 4.092 -1.732 1
1 752 . 12 1 1 A 88 88 GLY C C 66 172.250 171.968 0.282 1
1 753 . 12 1 1 A 88 88 GLY CA C 66 43.910 45.487 -1.577 1
1 754 . 12 1 1 A 88 88 GLY N N 66 105.700 107.649 -1.949 1
1 755 . 12 1 1 A 89 89 GLU H H 67 9.230 8.902 0.328 1
1 756 . 12 1 1 A 89 89 GLU HA H 67 5.100 4.969 0.131 1
1 761 . 12 1 1 A 89 89 GLU C C 67 175.770 174.778 0.992 1
1 762 . 12 1 1 A 89 89 GLU CA C 67 54.540 55.551 -1.011 1
1 763 . 12 1 1 A 89 89 GLU CB C 67 34.710 32.199 2.511 1
1 765 . 12 1 1 A 89 89 GLU N N 67 117.210 125.328 -8.118 1
1 766 . 12 1 1 A 90 90 LEU H H 68 8.470 9.239 -0.769 1
1 767 . 12 1 1 A 90 90 LEU HA H 68 5.050 5.061 -0.011 1
1 777 . 12 1 1 A 90 90 LEU C C 68 175.460 175.075 0.385 1
1 778 . 12 1 1 A 90 90 LEU CA C 68 54.160 53.812 0.348 1
1 779 . 12 1 1 A 90 90 LEU CB C 68 44.250 44.019 0.231 1
1 783 . 12 1 1 A 90 90 LEU N N 68 120.420 125.501 -5.081 1
1 784 . 12 1 1 A 91 91 ALA H H 69 8.880 8.894 -0.014 1
1 785 . 12 1 1 A 91 91 ALA HA H 69 5.990 4.998 0.992 1
1 789 . 12 1 1 A 91 91 ALA C C 69 175.300 176.494 -1.194 1
1 790 . 12 1 1 A 91 91 ALA CA C 69 50.340 50.557 -0.217 1
1 791 . 12 1 1 A 91 91 ALA CB C 69 21.140 19.984 1.156 1
1 792 . 12 1 1 A 91 91 ALA N N 69 124.720 130.962 -6.242 1
1 793 . 12 1 1 A 92 92 PHE H H 70 10.090 9.690 0.400 1
1 794 . 12 1 1 A 92 92 PHE HA H 70 4.700 5.092 -0.392 1
1 802 . 12 1 1 A 92 92 PHE CA C 70 56.580 57.146 -0.566 1
1 803 . 12 1 1 A 92 92 PHE CB C 70 40.490 39.855 0.635 1
1 807 . 12 1 1 A 92 92 PHE N N 70 122.920 124.367 -1.447 1
1 808 . 12 1 1 A 93 93 ARG H H 71 9.030 9.094 -0.064 1
1 809 . 12 1 1 A 93 93 ARG HA H 71 4.460 4.691 -0.231 1
1 816 . 12 1 1 A 93 93 ARG C C 71 176.910 176.000 0.910 1
1 817 . 12 1 1 A 93 93 ARG CA C 71 55.080 56.213 -1.133 1
1 818 . 12 1 1 A 93 93 ARG CB C 71 31.950 31.141 0.809 1
1 821 . 12 1 1 A 93 93 ARG N N 71 125.390 124.709 0.681 1
1 822 . 12 1 1 A 94 94 VAL H H 72 8.470 8.154 0.316 1
1 823 . 12 1 1 A 94 94 VAL HA H 72 4.820 4.738 0.082 1
1 831 . 12 1 1 A 94 94 VAL C C 72 176.320 175.857 0.463 1
1 832 . 12 1 1 A 94 94 VAL CA C 72 59.190 58.884 0.306 1
1 833 . 12 1 1 A 94 94 VAL CB C 72 32.550 34.942 -2.392 1
1 836 . 12 1 1 A 94 94 VAL N N 72 119.430 119.543 -0.113 1
1 837 . 12 1 1 A 95 95 GLU H H 73 8.160 8.883 -0.723 1
1 838 . 12 1 1 A 95 95 GLU HA H 73 3.940 4.162 -0.222 1
1 843 . 12 1 1 A 95 95 GLU C C 73 176.560 176.450 0.110 1
1 844 . 12 1 1 A 95 95 GLU CA C 73 59.620 58.332 1.288 1
1 845 . 12 1 1 A 95 95 GLU CB C 73 31.400 29.483 1.917 1
1 847 . 12 1 1 A 95 95 GLU N N 73 116.510 120.372 -3.862 1
1 848 . 12 1 1 A 96 96 ASN H H 74 7.240 7.763 -0.523 1
1 849 . 12 1 1 A 96 96 ASN HA H 74 4.780 4.978 -0.198 1
1 854 . 12 1 1 A 96 96 ASN C C 74 174.960 174.635 0.325 1
1 855 . 12 1 1 A 96 96 ASN CA C 74 51.570 52.519 -0.949 1
1 856 . 12 1 1 A 96 96 ASN CB C 74 40.130 39.526 0.604 1
1 857 . 12 1 1 A 96 96 ASN N N 74 108.930 114.099 -5.169 1
1 859 . 12 1 1 A 97 97 ASP H H 75 8.330 9.052 -0.722 1
1 860 . 12 1 1 A 97 97 ASP HA H 75 4.190 4.477 -0.287 1
1 863 . 12 1 1 A 97 97 ASP C C 75 177.800 178.575 -0.775 1
1 864 . 12 1 1 A 97 97 ASP CA C 75 57.780 56.693 1.087 1
1 865 . 12 1 1 A 97 97 ASP CB C 75 39.230 39.623 -0.393 1
1 866 . 12 1 1 A 97 97 ASP N N 75 120.390 118.337 2.053 1
1 867 . 12 1 1 A 98 98 ALA H H 76 8.090 8.124 -0.034 1
1 868 . 12 1 1 A 98 98 ALA HA H 76 4.210 3.920 0.290 1
1 872 . 12 1 1 A 98 98 ALA C C 76 181.130 180.084 1.046 1
1 873 . 12 1 1 A 98 98 ALA CA C 76 55.160 55.391 -0.231 1
1 874 . 12 1 1 A 98 98 ALA CB C 76 17.440 18.126 -0.686 1
1 875 . 12 1 1 A 98 98 ALA N N 76 122.660 121.841 0.819 1
1 876 . 12 1 1 A 99 99 GLN H H 77 8.110 7.775 0.335 1
1 877 . 12 1 1 A 99 99 GLN HA H 77 4.170 4.064 0.106 1
1 884 . 12 1 1 A 99 99 GLN C C 77 180.190 178.605 1.585 1
1 885 . 12 1 1 A 99 99 GLN CA C 77 58.680 58.480 0.200 1
1 886 . 12 1 1 A 99 99 GLN CB C 77 28.590 28.654 -0.064 1
1 888 . 12 1 1 A 99 99 GLN N N 77 116.870 117.972 -1.102 1
1 890 . 12 1 1 A 100 100 VAL H H 78 7.860 7.638 0.222 1
1 891 . 12 1 1 A 100 100 VAL HA H 78 3.400 3.547 -0.147 1
1 899 . 12 1 1 A 100 100 VAL C C 78 177.510 178.166 -0.656 1
1 900 . 12 1 1 A 100 100 VAL CA C 78 67.800 66.402 1.398 1
1 901 . 12 1 1 A 100 100 VAL CB C 78 30.810 31.704 -0.894 1
1 904 . 12 1 1 A 100 100 VAL N N 78 125.200 120.940 4.260 1
1 905 . 12 1 1 A 101 101 ASP H H 79 7.810 7.921 -0.111 1
1 906 . 12 1 1 A 101 101 ASP HA H 79 4.420 4.214 0.206 1
1 909 . 12 1 1 A 101 101 ASP C C 79 175.010 178.683 -3.673 1
1 910 . 12 1 1 A 101 101 ASP CA C 79 58.490 57.185 1.305 1
1 911 . 12 1 1 A 101 101 ASP CB C 79 40.400 40.637 -0.237 1
1 912 . 12 1 1 A 101 101 ASP N N 79 119.560 120.274 -0.714 1
1 913 . 12 1 1 A 102 102 GLU H H 80 8.620 7.894 0.726 1
1 914 . 12 1 1 A 102 102 GLU HA H 80 4.080 4.086 -0.006 1
1 919 . 12 1 1 A 102 102 GLU C C 80 179.540 179.448 0.092 1
1 920 . 12 1 1 A 102 102 GLU CA C 80 59.470 59.148 0.322 1
1 921 . 12 1 1 A 102 102 GLU CB C 80 30.210 30.103 0.107 1
1 923 . 12 1 1 A 102 102 GLU N N 80 121.400 119.032 2.368 1
1 924 . 12 1 1 A 103 103 THR H H 81 8.120 7.748 0.372 1
1 925 . 12 1 1 A 103 103 THR HA H 81 3.660 3.781 -0.121 1
1 930 . 12 1 1 A 103 103 THR C C 81 174.440 176.039 -1.599 1
1 931 . 12 1 1 A 103 103 THR CA C 81 66.990 66.031 0.959 1
1 932 . 12 1 1 A 103 103 THR CB C 81 68.070 68.123 -0.053 1
1 934 . 12 1 1 A 103 103 THR N N 81 118.770 118.425 0.345 1
1 935 . 12 1 1 A 104 104 PHE H H 82 8.340 8.023 0.317 1
1 936 . 12 1 1 A 104 104 PHE HA H 82 3.030 3.721 -0.691 1
1 943 . 12 1 1 A 104 104 PHE C C 82 176.050 176.646 -0.596 1
1 944 . 12 1 1 A 104 104 PHE CA C 82 61.480 62.097 -0.617 1
1 945 . 12 1 1 A 104 104 PHE CB C 82 38.550 38.680 -0.130 1
1 948 . 12 1 1 A 104 104 PHE N N 82 122.350 121.558 0.792 1
1 949 . 12 1 1 A 105 105 ALA H H 83 7.780 8.368 -0.588 1
1 950 . 12 1 1 A 105 105 ALA HA H 83 3.680 4.088 -0.408 1
1 954 . 12 1 1 A 105 105 ALA C C 83 181.410 179.913 1.497 1
1 955 . 12 1 1 A 105 105 ALA CA C 83 54.880 55.060 -0.180 1
1 956 . 12 1 1 A 105 105 ALA CB C 83 18.080 18.342 -0.262 1
1 957 . 12 1 1 A 105 105 ALA N N 83 118.740 121.147 -2.407 1
1 958 . 12 1 1 A 106 106 GLY H H 84 8.120 8.135 -0.015 1
1 959 . 12 1 1 A 106 106 GLY HA2 H 84 3.910 3.561 0.349 1
1 960 . 12 1 1 A 106 106 GLY HA3 H 84 3.810 3.567 0.243 1
1 961 . 12 1 1 A 106 106 GLY C C 84 176.780 177.310 -0.530 1
1 962 . 12 1 1 A 106 106 GLY CA C 84 46.910 47.062 -0.152 1
1 963 . 12 1 1 A 106 106 GLY N N 84 107.090 105.277 1.813 1
1 964 . 12 1 1 A 107 107 TRP H H 85 9.240 7.749 1.491 1
1 965 . 12 1 1 A 107 107 TRP HA H 85 4.440 4.630 -0.190 1
1 972 . 12 1 1 A 107 107 TRP C C 85 179.210 178.424 0.786 1
1 973 . 12 1 1 A 107 107 TRP CA C 85 59.190 60.508 -1.318 1
1 974 . 12 1 1 A 107 107 TRP CB C 85 28.450 29.096 -0.646 1
1 978 . 12 1 1 A 107 107 TRP N N 85 124.820 121.793 3.027 1
1 980 . 12 1 1 A 108 108 LYS H H 86 8.610 8.359 0.251 1
1 981 . 12 1 1 A 108 108 LYS HA H 86 3.920 3.929 -0.009 1
1 990 . 12 1 1 A 108 108 LYS C C 86 180.980 178.652 2.328 1
1 991 . 12 1 1 A 108 108 LYS CA C 86 60.040 59.467 0.573 1
1 992 . 12 1 1 A 108 108 LYS CB C 86 31.850 32.386 -0.536 1
1 996 . 12 1 1 A 108 108 LYS N N 86 121.490 121.125 0.365 1
1 997 . 12 1 1 A 109 109 ALA H H 87 7.890 7.935 -0.045 1
1 998 . 12 1 1 A 109 109 ALA HA H 87 4.150 4.173 -0.023 1
1 1002 . 12 1 1 A 109 109 ALA C C 87 179.050 178.512 0.538 1
1 1003 . 12 1 1 A 109 109 ALA CA C 87 54.670 54.562 0.108 1
1 1004 . 12 1 1 A 109 109 ALA CB C 87 18.010 18.208 -0.198 1
1 1005 . 12 1 1 A 109 109 ALA N N 87 121.920 121.525 0.395 1
1 1006 . 12 1 1 A 110 110 SER H H 88 7.510 7.499 0.011 1
1 1007 . 12 1 1 A 110 110 SER HA H 88 4.450 4.663 -0.213 1
1 1010 . 12 1 1 A 110 110 SER C C 88 174.140 174.668 -0.528 1
1 1011 . 12 1 1 A 110 110 SER CA C 88 58.750 58.067 0.683 1
1 1012 . 12 1 1 A 110 110 SER CB C 88 63.950 63.397 0.553 1
1 1013 . 12 1 1 A 110 110 SER N N 88 112.390 111.498 0.892 1
1 1014 . 12 1 1 A 111 111 GLY H H 89 7.790 8.055 -0.265 1
1 1015 . 12 1 1 A 111 111 GLY HA2 H 89 4.180 3.939 0.241 1
1 1016 . 12 1 1 A 111 111 GLY HA3 H 89 3.700 3.949 -0.249 1
1 1017 . 12 1 1 A 111 111 GLY C C 89 174.520 174.793 -0.273 1
1 1018 . 12 1 1 A 111 111 GLY CA C 89 45.530 46.058 -0.528 1
1 1019 . 12 1 1 A 111 111 GLY N N 89 108.220 110.277 -2.057 1
1 1020 . 12 1 1 A 112 112 VAL H H 90 7.660 7.955 -0.295 1
1 1021 . 12 1 1 A 112 112 VAL HA H 90 3.830 4.076 -0.246 1
1 1029 . 12 1 1 A 112 112 VAL C C 90 175.430 175.915 -0.485 1
1 1030 . 12 1 1 A 112 112 VAL CA C 90 63.880 62.663 1.217 1
1 1031 . 12 1 1 A 112 112 VAL CB C 90 32.040 31.349 0.691 1
1 1034 . 12 1 1 A 112 112 VAL N N 90 122.880 121.581 1.299 1
1 1035 . 12 1 1 A 113 113 ALA H H 91 8.720 8.502 0.218 1
1 1036 . 12 1 1 A 113 113 ALA HA H 91 4.210 4.010 0.200 1
1 1040 . 12 1 1 A 113 113 ALA C C 91 176.290 178.058 -1.768 1
1 1041 . 12 1 1 A 113 113 ALA CA C 91 52.900 55.250 -2.350 1
1 1042 . 12 1 1 A 113 113 ALA CB C 91 19.290 18.352 0.938 1
1 1043 . 12 1 1 A 113 113 ALA N N 91 132.080 128.309 3.771 1
1 1044 . 12 1 1 A 114 114 MET H H 92 8.260 8.161 0.099 1
1 1045 . 12 1 1 A 114 114 MET HA H 92 5.330 4.271 1.059 1
1 1051 . 12 1 1 A 114 114 MET C C 92 176.780 176.443 0.337 1
1 1052 . 12 1 1 A 114 114 MET CA C 92 53.390 56.127 -2.737 1
1 1053 . 12 1 1 A 114 114 MET CB C 92 33.450 30.247 3.203 1
1 1055 . 12 1 1 A 114 114 MET N N 92 116.930 116.969 -0.039 1
1 1056 . 12 1 1 A 115 115 LEU H H 93 8.990 8.208 0.782 1
1 1057 . 12 1 1 A 115 115 LEU HA H 93 4.550 4.899 -0.349 1
1 1067 . 12 1 1 A 115 115 LEU C C 93 176.630 175.659 0.971 1
1 1068 . 12 1 1 A 115 115 LEU CA C 93 55.140 54.071 1.069 1
1 1069 . 12 1 1 A 115 115 LEU CB C 93 44.810 42.413 2.397 1
1 1073 . 12 1 1 A 115 115 LEU N N 93 122.250 119.253 2.997 1
1 1074 . 12 1 1 A 116 116 GLN H H 94 8.280 8.283 -0.003 1
1 1075 . 12 1 1 A 116 116 GLN HA H 94 4.700 4.669 0.031 1
1 1080 . 12 1 1 A 116 116 GLN C C 94 174.860 174.143 0.717 1
1 1081 . 12 1 1 A 116 116 GLN CA C 94 55.600 55.893 -0.293 1
1 1082 . 12 1 1 A 116 116 GLN CB C 94 33.510 32.222 1.288 1
1 1083 . 12 1 1 A 116 116 GLN N N 94 121.140 123.205 -2.065 1
1 1085 . 12 1 1 A 117 117 GLN H H 95 8.490 8.659 -0.169 1
1 1086 . 12 1 1 A 117 117 GLN HA H 95 4.080 4.748 -0.668 1
1 1093 . 12 1 1 A 117 117 GLN CA C 95 54.860 53.431 1.429 1
1 1094 . 12 1 1 A 117 117 GLN CB C 95 26.550 29.100 -2.550 1
1 1096 . 12 1 1 A 117 117 GLN N N 95 125.610 125.972 -0.362 1
1 1098 . 12 1 1 A 118 118 PRO HA H 96 4.410 4.606 -0.196 1
1 1103 . 12 1 1 A 118 118 PRO C C 96 176.290 175.709 0.581 1
1 1104 . 12 1 1 A 118 118 PRO CA C 96 64.130 63.274 0.856 1
1 1105 . 12 1 1 A 118 118 PRO CB C 96 30.550 31.869 -1.319 1
1 1107 . 12 1 1 A 119 119 ALA H H 97 8.980 8.276 0.704 1
1 1108 . 12 1 1 A 119 119 ALA HA H 97 4.550 4.883 -0.333 1
1 1112 . 12 1 1 A 119 119 ALA C C 97 175.820 175.546 0.274 1
1 1113 . 12 1 1 A 119 119 ALA CA C 97 51.100 50.407 0.693 1
1 1114 . 12 1 1 A 119 119 ALA CB C 97 22.150 22.435 -0.285 1
1 1115 . 12 1 1 A 119 119 ALA N N 97 126.580 124.492 2.088 1
1 1116 . 12 1 1 A 120 120 LYS H H 98 8.710 8.551 0.159 1
1 1117 . 12 1 1 A 120 120 LYS HA H 98 4.450 4.668 -0.218 1
1 1126 . 12 1 1 A 120 120 LYS C C 98 175.950 175.769 0.181 1
1 1127 . 12 1 1 A 120 120 LYS CA C 98 56.360 56.235 0.125 1
1 1128 . 12 1 1 A 120 120 LYS CB C 98 32.090 32.819 -0.729 1
1 1132 . 12 1 1 A 120 120 LYS N N 98 121.330 122.619 -1.289 1
1 1133 . 12 1 1 A 121 121 MET H H 99 8.130 8.732 -0.602 1
1 1138 . 12 1 1 A 121 121 MET N N 99 125.590 126.741 -1.151 1
1 1139 . 12 1 1 A 122 122 GLU HA H 100 3.890 3.994 -0.104 1
1 1144 . 12 1 1 A 122 122 GLU C C 100 176.450 177.338 -0.888 1
1 1145 . 12 1 1 A 122 122 GLU CA C 100 59.740 59.235 0.505 1
1 1146 . 12 1 1 A 122 122 GLU CB C 100 29.200 29.152 0.048 1
1 1148 . 12 1 1 A 123 123 PHE H H 101 6.120 7.857 -1.737 1
1 1149 . 12 1 1 A 123 123 PHE HA H 101 4.430 4.580 -0.150 1
1 1152 . 12 1 1 A 123 123 PHE C C 101 173.950 175.211 -1.261 1
1 1153 . 12 1 1 A 123 123 PHE CA C 101 54.750 58.208 -3.458 1
1 1154 . 12 1 1 A 123 123 PHE CB C 101 38.630 39.458 -0.828 1
1 1155 . 12 1 1 A 123 123 PHE N N 101 108.900 115.298 -6.398 1
1 1156 . 12 1 1 A 124 124 GLY H H 102 6.670 7.331 -0.661 1
1 1157 . 12 1 1 A 124 124 GLY HA2 H 102 4.780 4.067 0.713 1
1 1158 . 12 1 1 A 124 124 GLY HA3 H 102 3.770 4.185 -0.415 1
1 1159 . 12 1 1 A 124 124 GLY C C 102 170.410 172.276 -1.866 1
1 1160 . 12 1 1 A 124 124 GLY CA C 102 44.570 43.932 0.638 1
1 1161 . 12 1 1 A 124 124 GLY N N 102 108.900 107.751 1.149 1
1 1162 . 12 1 1 A 125 125 TYR H H 103 8.210 8.544 -0.334 1
1 1163 . 12 1 1 A 125 125 TYR HA H 103 5.080 4.839 0.241 1
1 1170 . 12 1 1 A 125 125 TYR C C 103 175.980 174.374 1.606 1
1 1171 . 12 1 1 A 125 125 TYR CA C 103 56.530 57.008 -0.478 1
1 1172 . 12 1 1 A 125 125 TYR CB C 103 40.180 38.612 1.568 1
1 1175 . 12 1 1 A 125 125 TYR N N 103 123.360 121.371 1.989 1
1 1176 . 12 1 1 A 126 126 THR H H 104 8.450 8.822 -0.372 1
1 1177 . 12 1 1 A 126 126 THR HA H 104 5.630 5.396 0.234 1
1 1182 . 12 1 1 A 126 126 THR C C 104 170.010 172.429 -2.419 1
1 1183 . 12 1 1 A 126 126 THR CA C 104 58.490 59.951 -1.461 1
1 1184 . 12 1 1 A 126 126 THR CB C 104 72.110 71.998 0.112 1
1 1186 . 12 1 1 A 126 126 THR N N 104 120.720 121.940 -1.220 1
1 1187 . 12 1 1 A 127 127 PHE H H 105 8.170 8.956 -0.786 1
1 1188 . 12 1 1 A 127 127 PHE HA H 105 4.620 5.778 -1.158 1
1 1195 . 12 1 1 A 127 127 PHE C C 105 172.490 173.265 -0.775 1
1 1196 . 12 1 1 A 127 127 PHE CA C 105 56.610 56.854 -0.244 1
1 1197 . 12 1 1 A 127 127 PHE CB C 105 41.710 43.018 -1.308 1
1 1200 . 12 1 1 A 127 127 PHE N N 105 120.530 127.139 -6.609 1
1 1201 . 12 1 1 A 128 128 THR H H 106 8.450 8.418 0.032 1
1 1202 . 12 1 1 A 128 128 THR HA H 106 5.090 4.881 0.209 1
1 1207 . 12 1 1 A 128 128 THR C C 106 172.750 173.347 -0.597 1
1 1208 . 12 1 1 A 128 128 THR CA C 106 63.340 60.715 2.625 1
1 1209 . 12 1 1 A 128 128 THR CB C 106 70.420 71.302 -0.882 1
1 1211 . 12 1 1 A 128 128 THR N N 106 114.010 120.706 -6.696 1
1 1212 . 12 1 1 A 129 129 ALA H H 107 10.030 9.046 0.984 1
1 1213 . 12 1 1 A 129 129 ALA HA H 107 5.540 5.205 0.335 1
1 1217 . 12 1 1 A 129 129 ALA C C 107 179.620 176.667 2.953 1
1 1218 . 12 1 1 A 129 129 ALA CA C 107 50.640 49.875 0.765 1
1 1219 . 12 1 1 A 129 129 ALA CB C 107 24.570 22.725 1.845 1
1 1220 . 12 1 1 A 129 129 ALA N N 107 135.110 129.370 5.740 1
1 1221 . 12 1 1 A 130 130 ALA H H 108 8.650 9.011 -0.361 1
1 1222 . 12 1 1 A 130 130 ALA HA H 108 5.380 5.525 -0.145 1
1 1226 . 12 1 1 A 130 130 ALA C C 108 175.480 175.232 0.248 1
1 1227 . 12 1 1 A 130 130 ALA CA C 108 50.100 50.198 -0.098 1
1 1228 . 12 1 1 A 130 130 ALA CB C 108 22.770 23.143 -0.373 1
1 1229 . 12 1 1 A 130 130 ALA N N 108 121.150 121.955 -0.805 1
1 1230 . 12 1 1 A 131 131 ASP H H 109 8.770 8.648 0.122 1
1 1231 . 12 1 1 A 131 131 ASP HA H 109 3.910 4.792 -0.882 1
1 1234 . 12 1 1 A 131 131 ASP CA C 109 51.290 51.946 -0.656 1
1 1235 . 12 1 1 A 131 131 ASP CB C 109 41.350 42.133 -0.783 1
1 1236 . 12 1 1 A 131 131 ASP N N 109 123.100 117.317 5.783 1
1 1237 . 12 1 1 A 132 132 PRO HA H 110 4.140 4.210 -0.070 1
1 1242 . 12 1 1 A 132 132 PRO C C 110 176.890 177.346 -0.456 1
1 1243 . 12 1 1 A 132 132 PRO CA C 110 65.730 65.754 -0.024 1
1 1244 . 12 1 1 A 132 132 PRO CB C 110 31.850 31.441 0.409 1
1 1246 . 12 1 1 A 133 133 ASP H H 111 8.740 7.254 1.486 1
1 1247 . 12 1 1 A 133 133 ASP HA H 111 4.800 4.478 0.322 1
1 1250 . 12 1 1 A 133 133 ASP C C 111 173.720 175.447 -1.727 1
1 1251 . 12 1 1 A 133 133 ASP CA C 111 54.140 55.438 -1.298 1
1 1252 . 12 1 1 A 133 133 ASP CB C 111 42.910 40.900 2.010 1
1 1253 . 12 1 1 A 133 133 ASP N N 111 118.220 116.953 1.267 1
1 1254 . 12 1 1 A 134 134 SER H H 112 8.370 7.523 0.847 1
1 1255 . 12 1 1 A 134 134 SER HA H 112 3.710 3.993 -0.283 1
1 1258 . 12 1 1 A 134 134 SER CA C 112 60.670 59.377 1.293 1
1 1259 . 12 1 1 A 134 134 SER CB C 112 61.430 60.827 0.603 1
1 1260 . 12 1 1 A 134 134 SER N N 112 109.220 113.124 -3.904 1
1 1261 . 12 1 1 A 135 135 HIS H H 113 8.850 7.547 1.303 1
1 1268 . 12 1 1 A 135 135 HIS N N 113 122.820 118.516 4.304 1
1 1269 . 12 1 1 A 136 136 ARG HA H 114 4.680 4.944 -0.264 1
1 1270 . 12 1 1 A 136 136 ARG C C 114 175.220 175.372 -0.152 1
1 1271 . 12 1 1 A 136 136 ARG CA C 114 57.560 54.912 2.648 1
1 1272 . 12 1 1 A 137 137 LEU H H 115 8.680 9.008 -0.328 1
1 1273 . 12 1 1 A 137 137 LEU HA H 115 5.490 5.084 0.406 1
1 1282 . 12 1 1 A 137 137 LEU C C 115 174.620 174.843 -0.223 1
1 1283 . 12 1 1 A 137 137 LEU CA C 115 52.580 53.727 -1.147 1
1 1284 . 12 1 1 A 137 137 LEU CB C 115 43.070 43.100 -0.030 1
1 1287 . 12 1 1 A 137 137 LEU N N 115 123.990 126.146 -2.156 1
1 1288 . 12 1 1 A 138 138 ARG H H 116 9.510 9.378 0.132 1
1 1289 . 12 1 1 A 138 138 ARG HA H 116 5.120 5.132 -0.012 1
1 1292 . 12 1 1 A 138 138 ARG C C 116 175.090 175.056 0.034 1
1 1293 . 12 1 1 A 138 138 ARG CA C 116 54.700 55.433 -0.733 1
1 1294 . 12 1 1 A 138 138 ARG CB C 116 33.480 31.644 1.836 1
1 1295 . 12 1 1 A 138 138 ARG N N 116 125.370 126.840 -1.470 1
1 1296 . 12 1 1 A 139 139 VAL H H 117 7.970 8.798 -0.828 1
1 1297 . 12 1 1 A 139 139 VAL HA H 117 5.280 5.348 -0.068 1
1 1305 . 12 1 1 A 139 139 VAL C C 117 176.390 175.363 1.027 1
1 1306 . 12 1 1 A 139 139 VAL CA C 117 60.090 61.251 -1.161 1
1 1307 . 12 1 1 A 139 139 VAL CB C 117 32.690 34.342 -1.652 1
1 1310 . 12 1 1 A 139 139 VAL N N 117 128.260 125.306 2.954 1
1 1311 . 12 1 1 A 140 140 TYR H H 118 9.200 8.903 0.297 1
1 1312 . 12 1 1 A 140 140 TYR HA H 118 5.800 5.899 -0.099 1
1 1319 . 12 1 1 A 140 140 TYR C C 118 170.820 173.788 -2.968 1
1 1320 . 12 1 1 A 140 140 TYR CA C 118 56.060 55.286 0.774 1
1 1321 . 12 1 1 A 140 140 TYR CB C 118 42.460 41.476 0.984 1
1 1324 . 12 1 1 A 140 140 TYR N N 118 127.020 124.395 2.625 1
1 1325 . 12 1 1 A 141 141 ALA H H 119 8.330 9.031 -0.701 1
1 1326 . 12 1 1 A 141 141 ALA HA H 119 4.560 4.964 -0.404 1
1 1330 . 12 1 1 A 141 141 ALA C C 119 177.150 175.987 1.163 1
1 1331 . 12 1 1 A 141 141 ALA CA C 119 50.530 50.602 -0.072 1
1 1332 . 12 1 1 A 141 141 ALA CB C 119 21.220 21.314 -0.094 1
1 1333 . 12 1 1 A 141 141 ALA N N 119 121.160 122.303 -1.143 1
1 1334 . 12 1 1 A 142 142 PHE H H 120 8.780 8.985 -0.205 1
1 1335 . 12 1 1 A 142 142 PHE HA H 120 4.910 4.948 -0.038 1
1 1340 . 12 1 1 A 142 142 PHE C C 120 175.090 174.303 0.787 1
1 1341 . 12 1 1 A 142 142 PHE CA C 120 57.720 57.969 -0.249 1
1 1342 . 12 1 1 A 142 142 PHE CB C 120 40.810 39.612 1.198 1
1 1344 . 12 1 1 A 142 142 PHE N N 120 122.630 126.422 -3.792 1
1 1345 . 12 1 1 A 143 143 ALA H H 121 8.190 8.317 -0.127 1
1 1346 . 12 1 1 A 143 143 ALA HA H 121 4.330 4.304 0.026 1
1 1350 . 12 1 1 A 143 143 ALA C C 121 176.260 177.001 -0.741 1
1 1351 . 12 1 1 A 143 143 ALA CA C 121 52.280 52.074 0.206 1
1 1352 . 12 1 1 A 143 143 ALA CB C 121 19.310 18.556 0.754 1
1 1353 . 12 1 1 A 143 143 ALA N N 121 129.460 129.733 -0.273 1
1 16 . 13 1 1 A 24 24 THR H H 2 8.350 7.876 0.474 1
1 17 . 13 1 1 A 24 24 THR HA H 2 4.470 4.727 -0.257 1
1 22 . 13 1 1 A 24 24 THR CA C 2 61.890 61.738 0.152 1
1 23 . 13 1 1 A 24 24 THR CB C 2 69.630 70.712 -1.082 1
1 25 . 13 1 1 A 24 24 THR N N 2 117.720 113.299 4.421 1
1 26 . 13 1 1 A 25 25 HIS H H 3 8.630 8.912 -0.282 1
1 27 . 13 1 1 A 25 25 HIS HA H 3 5.200 4.982 0.218 1
1 30 . 13 1 1 A 25 25 HIS CA C 3 51.620 53.236 -1.616 1
1 31 . 13 1 1 A 25 25 HIS CB C 3 33.320 31.679 1.641 1
1 32 . 13 1 1 A 25 25 HIS N N 3 124.890 124.344 0.546 1
1 33 . 13 1 1 A 26 26 PRO HA H 4 4.170 4.670 -0.500 1
1 40 . 13 1 1 A 26 26 PRO C C 4 175.740 176.788 -1.048 1
1 41 . 13 1 1 A 26 26 PRO CA C 4 62.740 62.714 0.026 1
1 42 . 13 1 1 A 26 26 PRO CB C 4 31.460 32.202 -0.742 1
1 45 . 13 1 1 A 27 27 ASP H H 5 8.270 8.479 -0.209 1
1 46 . 13 1 1 A 27 27 ASP HA H 5 4.810 4.806 0.004 1
1 49 . 13 1 1 A 27 27 ASP C C 5 175.400 175.446 -0.046 1
1 50 . 13 1 1 A 27 27 ASP CA C 5 53.310 53.536 -0.226 1
1 51 . 13 1 1 A 27 27 ASP CB C 5 42.390 41.224 1.166 1
1 52 . 13 1 1 A 27 27 ASP N N 5 119.440 119.591 -0.151 1
1 53 . 13 1 1 A 28 28 PHE H H 6 7.280 7.771 -0.491 1
1 54 . 13 1 1 A 28 28 PHE HA H 6 5.440 5.235 0.205 1
1 61 . 13 1 1 A 28 28 PHE C C 6 174.180 173.280 0.900 1
1 62 . 13 1 1 A 28 28 PHE CA C 6 54.590 55.781 -1.191 1
1 63 . 13 1 1 A 28 28 PHE CB C 6 42.310 41.840 0.470 1
1 66 . 13 1 1 A 28 28 PHE N N 6 118.410 120.481 -2.071 1
1 67 . 13 1 1 A 29 29 THR H H 7 8.500 9.162 -0.662 1
1 68 . 13 1 1 A 29 29 THR HA H 7 4.800 5.178 -0.378 1
1 73 . 13 1 1 A 29 29 THR C C 7 172.280 172.861 -0.581 1
1 74 . 13 1 1 A 29 29 THR CA C 7 62.550 59.256 3.294 1
1 75 . 13 1 1 A 29 29 THR CB C 7 70.420 71.466 -1.046 1
1 77 . 13 1 1 A 29 29 THR N N 7 123.070 122.035 1.035 1
1 78 . 13 1 1 A 30 30 ILE H H 8 9.270 8.932 0.338 1
1 79 . 13 1 1 A 30 30 ILE HA H 8 4.680 4.683 -0.003 1
1 89 . 13 1 1 A 30 30 ILE C C 8 173.970 175.022 -1.052 1
1 90 . 13 1 1 A 30 30 ILE CA C 8 59.220 59.791 -0.571 1
1 91 . 13 1 1 A 30 30 ILE CB C 8 40.210 40.823 -0.613 1
1 95 . 13 1 1 A 30 30 ILE N N 8 126.920 127.672 -0.752 1
1 96 . 13 1 1 A 31 31 LEU H H 9 8.760 8.734 0.026 1
1 97 . 13 1 1 A 31 31 LEU HA H 9 4.330 4.939 -0.609 1
1 107 . 13 1 1 A 31 31 LEU C C 9 176.520 176.321 0.199 1
1 108 . 13 1 1 A 31 31 LEU CA C 9 52.960 53.452 -0.492 1
1 109 . 13 1 1 A 31 31 LEU CB C 9 41.820 43.726 -1.906 1
1 113 . 13 1 1 A 31 31 LEU N N 9 126.000 127.394 -1.394 1
1 114 . 13 1 1 A 32 32 TYR H H 10 8.190 8.749 -0.559 1
1 115 . 13 1 1 A 32 32 TYR HA H 10 5.980 6.175 -0.195 1
1 118 . 13 1 1 A 32 32 TYR C C 10 177.720 174.067 3.653 1
1 119 . 13 1 1 A 32 32 TYR CA C 10 53.120 55.341 -2.221 1
1 120 . 13 1 1 A 32 32 TYR CB C 10 36.560 41.255 -4.695 1
1 121 . 13 1 1 A 32 32 TYR N N 10 122.130 118.786 3.344 1
1 122 . 13 1 1 A 33 33 VAL H H 11 8.470 8.962 -0.492 1
1 123 . 13 1 1 A 33 33 VAL HA H 11 4.990 4.993 -0.003 1
1 131 . 13 1 1 A 33 33 VAL C C 11 176.030 174.058 1.972 1
1 132 . 13 1 1 A 33 33 VAL CA C 11 58.240 59.243 -1.003 1
1 133 . 13 1 1 A 33 33 VAL CB C 11 35.090 36.134 -1.044 1
1 136 . 13 1 1 A 33 33 VAL N N 11 113.820 118.000 -4.180 1
1 137 . 13 1 1 A 34 34 ASP H H 12 9.750 8.774 0.976 1
1 138 . 13 1 1 A 34 34 ASP HA H 12 4.550 5.055 -0.505 1
1 141 . 13 1 1 A 34 34 ASP C C 12 177.230 174.917 2.313 1
1 142 . 13 1 1 A 34 34 ASP CA C 12 58.000 52.847 5.153 1
1 143 . 13 1 1 A 34 34 ASP CB C 12 42.780 41.594 1.186 1
1 144 . 13 1 1 A 34 34 ASP N N 12 124.140 122.569 1.571 1
1 145 . 13 1 1 A 35 35 ASN H H 13 9.250 7.860 1.390 1
1 146 . 13 1 1 A 35 35 ASN HA H 13 5.120 4.929 0.191 1
1 151 . 13 1 1 A 35 35 ASN CA C 13 50.610 51.755 -1.145 1
1 152 . 13 1 1 A 35 35 ASN CB C 13 39.920 39.320 0.600 1
1 153 . 13 1 1 A 35 35 ASN N N 13 114.460 120.843 -6.383 1
1 155 . 13 1 1 A 37 37 PRO HA H 15 4.350 4.217 0.133 1
1 162 . 13 1 1 A 37 37 PRO C C 15 179.310 179.338 -0.028 1
1 163 . 13 1 1 A 37 37 PRO CA C 15 67.480 66.716 0.764 1
1 164 . 13 1 1 A 37 37 PRO CB C 15 31.340 30.783 0.557 1
1 167 . 13 1 1 A 38 38 ALA H H 16 7.740 8.132 -0.392 1
1 168 . 13 1 1 A 38 38 ALA HA H 16 4.310 4.124 0.186 1
1 172 . 13 1 1 A 38 38 ALA C C 16 182.490 180.124 2.366 1
1 173 . 13 1 1 A 38 38 ALA CA C 16 55.160 55.023 0.137 1
1 174 . 13 1 1 A 38 38 ALA CB C 16 18.360 18.464 -0.104 1
1 175 . 13 1 1 A 38 38 ALA N N 16 121.510 119.729 1.781 1
1 176 . 13 1 1 A 39 39 SER H H 17 8.770 7.554 1.216 1
1 177 . 13 1 1 A 39 39 SER HA H 17 4.190 4.218 -0.028 1
1 180 . 13 1 1 A 39 39 SER C C 17 175.610 177.332 -1.722 1
1 181 . 13 1 1 A 39 39 SER CA C 17 64.260 61.228 3.032 1
1 182 . 13 1 1 A 39 39 SER CB C 17 62.790 62.955 -0.165 1
1 183 . 13 1 1 A 39 39 SER N N 17 117.520 113.755 3.765 1
1 184 . 13 1 1 A 40 40 THR H H 18 9.310 7.653 1.657 1
1 185 . 13 1 1 A 40 40 THR HA H 18 4.480 4.073 0.407 1
1 190 . 13 1 1 A 40 40 THR C C 18 175.590 177.186 -1.596 1
1 191 . 13 1 1 A 40 40 THR CA C 18 68.130 66.694 1.436 1
1 192 . 13 1 1 A 40 40 THR CB C 18 68.480 68.132 0.348 1
1 194 . 13 1 1 A 40 40 THR N N 18 120.600 116.809 3.791 1
1 195 . 13 1 1 A 41 41 GLN H H 19 7.610 7.761 -0.151 1
1 196 . 13 1 1 A 41 41 GLN HA H 19 4.080 4.067 0.013 1
1 203 . 13 1 1 A 41 41 GLN C C 19 178.110 178.104 0.006 1
1 204 . 13 1 1 A 41 41 GLN CA C 19 59.170 58.634 0.536 1
1 205 . 13 1 1 A 41 41 GLN CB C 19 28.170 28.644 -0.474 1
1 207 . 13 1 1 A 41 41 GLN N N 19 120.130 120.379 -0.249 1
1 209 . 13 1 1 A 42 42 PHE H H 20 7.710 8.003 -0.293 1
1 210 . 13 1 1 A 42 42 PHE HA H 20 4.080 4.132 -0.052 1
1 218 . 13 1 1 A 42 42 PHE C C 20 177.460 176.907 0.553 1
1 219 . 13 1 1 A 42 42 PHE CA C 20 61.760 61.344 0.416 1
1 220 . 13 1 1 A 42 42 PHE CB C 20 38.590 38.972 -0.382 1
1 224 . 13 1 1 A 42 42 PHE N N 20 120.560 122.648 -2.088 1
1 225 . 13 1 1 A 43 43 TYR H H 21 8.890 8.042 0.848 1
1 226 . 13 1 1 A 43 43 TYR HA H 21 3.700 4.239 -0.539 1
1 233 . 13 1 1 A 43 43 TYR C C 21 177.640 178.197 -0.557 1
1 234 . 13 1 1 A 43 43 TYR CA C 21 64.290 61.566 2.724 1
1 235 . 13 1 1 A 43 43 TYR CB C 21 38.110 37.323 0.787 1
1 238 . 13 1 1 A 43 43 TYR N N 21 118.420 118.245 0.175 1
1 239 . 13 1 1 A 44 44 LYS H H 22 8.860 7.997 0.863 1
1 240 . 13 1 1 A 44 44 LYS HA H 22 4.630 3.779 0.851 1
1 249 . 13 1 1 A 44 44 LYS C C 22 179.780 179.113 0.667 1
1 250 . 13 1 1 A 44 44 LYS CA C 22 59.630 59.679 -0.049 1
1 251 . 13 1 1 A 44 44 LYS CB C 22 33.210 32.497 0.713 1
1 255 . 13 1 1 A 44 44 LYS N N 22 122.200 120.185 2.015 1
1 256 . 13 1 1 A 45 45 ALA H H 23 7.180 7.411 -0.231 1
1 257 . 13 1 1 A 45 45 ALA HA H 23 4.040 3.980 0.060 1
1 261 . 13 1 1 A 45 45 ALA C C 23 179.130 179.707 -0.577 1
1 262 . 13 1 1 A 45 45 ALA CA C 23 54.350 54.757 -0.407 1
1 263 . 13 1 1 A 45 45 ALA CB C 23 18.030 18.001 0.029 1
1 264 . 13 1 1 A 45 45 ALA N N 23 120.710 121.873 -1.163 1
1 265 . 13 1 1 A 46 46 LEU H H 24 7.510 7.676 -0.166 1
1 266 . 13 1 1 A 46 46 LEU HA H 24 3.550 3.874 -0.324 1
1 276 . 13 1 1 A 46 46 LEU C C 24 178.680 177.934 0.746 1
1 277 . 13 1 1 A 46 46 LEU CA C 24 57.910 56.995 0.915 1
1 278 . 13 1 1 A 46 46 LEU CB C 24 43.950 41.080 2.870 1
1 282 . 13 1 1 A 46 46 LEU N N 24 118.650 120.031 -1.381 1
1 283 . 13 1 1 A 47 47 LEU H H 25 8.800 7.626 1.174 1
1 284 . 13 1 1 A 47 47 LEU HA H 25 4.480 4.645 -0.165 1
1 294 . 13 1 1 A 47 47 LEU C C 25 178.960 177.901 1.059 1
1 295 . 13 1 1 A 47 47 LEU CA C 25 55.010 55.040 -0.030 1
1 296 . 13 1 1 A 47 47 LEU CB C 25 42.500 43.333 -0.833 1
1 300 . 13 1 1 A 47 47 LEU N N 25 112.540 117.502 -4.962 1
1 301 . 13 1 1 A 48 48 GLY H H 26 7.810 8.128 -0.318 1
1 302 . 13 1 1 A 48 48 GLY HA2 H 26 4.030 3.923 0.107 1
1 303 . 13 1 1 A 48 48 GLY HA3 H 26 3.900 3.950 -0.050 1
1 304 . 13 1 1 A 48 48 GLY C C 26 173.560 174.052 -0.492 1
1 305 . 13 1 1 A 48 48 GLY CA C 26 46.810 46.002 0.808 1
1 306 . 13 1 1 A 48 48 GLY N N 26 107.650 107.531 0.119 1
1 307 . 13 1 1 A 49 49 VAL H H 27 7.100 7.488 -0.388 1
1 308 . 13 1 1 A 49 49 VAL HA H 27 4.700 4.846 -0.146 1
1 316 . 13 1 1 A 49 49 VAL C C 27 172.980 174.108 -1.128 1
1 317 . 13 1 1 A 49 49 VAL CA C 27 58.680 59.319 -0.639 1
1 318 . 13 1 1 A 49 49 VAL CB C 27 36.090 35.499 0.591 1
1 321 . 13 1 1 A 49 49 VAL N N 27 110.770 115.845 -5.075 1
1 322 . 13 1 1 A 50 50 ASP H H 28 8.100 9.034 -0.934 1
1 323 . 13 1 1 A 50 50 ASP HA H 28 4.930 5.184 -0.254 1
1 326 . 13 1 1 A 50 50 ASP CA C 28 52.550 51.316 1.234 1
1 327 . 13 1 1 A 50 50 ASP CB C 28 40.520 43.933 -3.413 1
1 328 . 13 1 1 A 50 50 ASP N N 28 119.760 118.383 1.377 1
1 329 . 13 1 1 A 51 51 PRO HA H 29 3.700 4.878 -1.178 1
1 336 . 13 1 1 A 51 51 PRO C C 29 176.580 177.943 -1.363 1
1 337 . 13 1 1 A 51 51 PRO CA C 29 62.900 62.743 0.157 1
1 338 . 13 1 1 A 51 51 PRO CB C 29 30.550 32.198 -1.648 1
1 341 . 13 1 1 A 52 52 VAL H H 30 8.340 8.484 -0.144 1
1 342 . 13 1 1 A 52 52 VAL HA H 30 4.080 4.073 0.007 1
1 350 . 13 1 1 A 52 52 VAL C C 30 176.190 175.647 0.543 1
1 351 . 13 1 1 A 52 52 VAL CA C 30 62.790 64.144 -1.354 1
1 352 . 13 1 1 A 52 52 VAL CB C 30 32.280 32.535 -0.255 1
1 355 . 13 1 1 A 52 52 VAL N N 30 117.320 122.078 -4.758 1
1 356 . 13 1 1 A 53 53 GLU H H 31 7.170 7.615 -0.445 1
1 357 . 13 1 1 A 53 53 GLU HA H 31 4.580 4.863 -0.283 1
1 362 . 13 1 1 A 53 53 GLU C C 31 174.940 175.395 -0.455 1
1 363 . 13 1 1 A 53 53 GLU CA C 31 55.330 54.804 0.526 1
1 364 . 13 1 1 A 53 53 GLU CB C 31 33.370 33.559 -0.189 1
1 366 . 13 1 1 A 53 53 GLU N N 31 118.180 119.696 -1.516 1
1 367 . 13 1 1 A 54 54 SER H H 32 8.650 8.827 -0.177 1
1 368 . 13 1 1 A 54 54 SER HA H 32 5.130 5.424 -0.294 1
1 371 . 13 1 1 A 54 54 SER C C 32 171.990 173.303 -1.313 1
1 372 . 13 1 1 A 54 54 SER CA C 32 57.940 57.058 0.882 1
1 373 . 13 1 1 A 54 54 SER CB C 32 64.720 66.172 -1.452 1
1 374 . 13 1 1 A 54 54 SER N N 32 117.210 116.487 0.723 1
1 375 . 13 1 1 A 55 55 SER H H 33 8.760 8.888 -0.128 1
1 376 . 13 1 1 A 55 55 SER N N 33 124.420 117.272 7.148 1
1 377 . 13 1 1 A 56 56 PRO HA H 34 4.320 4.366 -0.046 1
1 382 . 13 1 1 A 56 56 PRO C C 34 177.290 177.239 0.051 1
1 383 . 13 1 1 A 56 56 PRO CA C 34 65.750 65.168 0.582 1
1 384 . 13 1 1 A 56 56 PRO CB C 34 32.490 31.923 0.567 1
1 386 . 13 1 1 A 57 57 THR H H 35 7.810 8.302 -0.492 1
1 387 . 13 1 1 A 57 57 THR HA H 35 4.630 4.868 -0.238 1
1 392 . 13 1 1 A 57 57 THR C C 35 174.080 174.143 -0.063 1
1 393 . 13 1 1 A 57 57 THR CA C 35 61.860 61.896 -0.036 1
1 394 . 13 1 1 A 57 57 THR CB C 35 70.940 71.246 -0.306 1
1 396 . 13 1 1 A 57 57 THR N N 35 101.710 109.945 -8.235 1
1 397 . 13 1 1 A 58 58 PHE H H 36 7.670 7.743 -0.073 1
1 398 . 13 1 1 A 58 58 PHE HA H 36 5.780 5.045 0.735 1
1 405 . 13 1 1 A 58 58 PHE CA C 36 57.820 57.077 0.743 1
1 406 . 13 1 1 A 58 58 PHE CB C 36 43.010 42.407 0.603 1
1 409 . 13 1 1 A 58 58 PHE N N 36 124.370 120.828 3.542 1
1 410 . 13 1 1 A 59 59 SER H H 37 8.070 8.530 -0.460 1
1 411 . 13 1 1 A 59 59 SER HA H 37 4.890 5.470 -0.580 1
1 414 . 13 1 1 A 59 59 SER C C 37 170.010 172.354 -2.344 1
1 415 . 13 1 1 A 59 59 SER CA C 37 56.660 56.498 0.162 1
1 416 . 13 1 1 A 59 59 SER CB C 37 67.490 65.232 2.258 1
1 417 . 13 1 1 A 59 59 SER N N 37 122.930 122.787 0.143 1
1 418 . 13 1 1 A 60 60 LEU H H 38 8.140 9.021 -0.881 1
1 419 . 13 1 1 A 60 60 LEU HA H 38 4.810 5.131 -0.321 1
1 429 . 13 1 1 A 60 60 LEU C C 38 174.000 174.996 -0.996 1
1 430 . 13 1 1 A 60 60 LEU CA C 38 53.750 53.855 -0.105 1
1 431 . 13 1 1 A 60 60 LEU CB C 38 47.250 45.018 2.232 1
1 435 . 13 1 1 A 60 60 LEU N N 38 122.030 127.202 -5.172 1
1 436 . 13 1 1 A 61 61 PHE H H 39 9.460 8.596 0.864 1
1 437 . 13 1 1 A 61 61 PHE HA H 39 4.580 5.442 -0.862 1
1 444 . 13 1 1 A 61 61 PHE C C 39 174.390 173.772 0.618 1
1 445 . 13 1 1 A 61 61 PHE CA C 39 57.180 55.497 1.683 1
1 446 . 13 1 1 A 61 61 PHE CB C 39 41.570 41.337 0.233 1
1 449 . 13 1 1 A 61 61 PHE N N 39 124.820 124.426 0.394 1
1 450 . 13 1 1 A 62 62 VAL H H 40 8.640 8.942 -0.302 1
1 451 . 13 1 1 A 62 62 VAL HA H 40 4.260 4.225 0.035 1
1 459 . 13 1 1 A 62 62 VAL C C 40 175.380 175.427 -0.047 1
1 460 . 13 1 1 A 62 62 VAL CA C 40 62.520 62.038 0.482 1
1 461 . 13 1 1 A 62 62 VAL CB C 40 32.470 32.572 -0.102 1
1 464 . 13 1 1 A 62 62 VAL N N 40 122.650 125.295 -2.645 1
1 465 . 13 1 1 A 63 63 LEU H H 41 8.710 8.740 -0.030 1
1 466 . 13 1 1 A 63 63 LEU HA H 41 4.590 4.809 -0.219 1
1 476 . 13 1 1 A 63 63 LEU CA C 41 53.560 53.432 0.128 1
1 477 . 13 1 1 A 63 63 LEU CB C 41 41.600 43.048 -1.448 1
1 481 . 13 1 1 A 63 63 LEU N N 41 126.170 127.887 -1.717 1
1 482 . 13 1 1 A 64 64 ALA HA H 42 4.040 4.126 -0.086 1
1 486 . 13 1 1 A 64 64 ALA CA C 42 55.050 54.017 1.033 1
1 487 . 13 1 1 A 64 64 ALA CB C 42 18.580 18.581 -0.001 1
1 488 . 13 1 1 A 65 65 ASN H H 43 7.680 7.883 -0.203 1
1 489 . 13 1 1 A 65 65 ASN HA H 43 4.520 4.769 -0.249 1
1 494 . 13 1 1 A 65 65 ASN C C 43 175.860 175.458 0.402 1
1 495 . 13 1 1 A 65 65 ASN CA C 43 52.530 53.397 -0.867 1
1 496 . 13 1 1 A 65 65 ASN CB C 43 37.800 38.991 -1.191 1
1 497 . 13 1 1 A 65 65 ASN N N 43 112.130 115.308 -3.178 1
1 499 . 13 1 1 A 66 66 GLY H H 44 8.070 8.164 -0.094 1
1 500 . 13 1 1 A 66 66 GLY HA2 H 44 4.330 3.942 0.388 1
1 501 . 13 1 1 A 66 66 GLY HA3 H 44 3.480 3.946 -0.466 1
1 502 . 13 1 1 A 66 66 GLY C C 44 174.260 173.716 0.544 1
1 503 . 13 1 1 A 66 66 GLY CA C 44 44.930 45.202 -0.272 1
1 504 . 13 1 1 A 66 66 GLY N N 44 107.650 107.504 0.146 1
1 505 . 13 1 1 A 67 67 MET H H 45 7.900 7.217 0.683 1
1 506 . 13 1 1 A 67 67 MET HA H 45 4.420 5.044 -0.624 1
1 514 . 13 1 1 A 67 67 MET CA C 45 55.520 53.386 2.134 1
1 515 . 13 1 1 A 67 67 MET CB C 45 33.630 36.411 -2.781 1
1 518 . 13 1 1 A 67 67 MET N N 45 121.850 115.891 5.959 1
1 519 . 13 1 1 A 68 68 LYS HA H 46 5.040 5.043 -0.003 1
1 528 . 13 1 1 A 68 68 LYS C C 46 174.600 173.914 0.686 1
1 529 . 13 1 1 A 68 68 LYS CA C 46 55.410 54.952 0.458 1
1 530 . 13 1 1 A 68 68 LYS CB C 46 34.460 35.739 -1.279 1
1 534 . 13 1 1 A 69 69 LEU H H 47 8.830 8.370 0.460 1
1 535 . 13 1 1 A 69 69 LEU HA H 47 5.450 5.532 -0.082 1
1 545 . 13 1 1 A 69 69 LEU C C 47 174.880 174.828 0.052 1
1 546 . 13 1 1 A 69 69 LEU CA C 47 52.980 53.267 -0.287 1
1 547 . 13 1 1 A 69 69 LEU CB C 47 46.560 46.017 0.543 1
1 551 . 13 1 1 A 69 69 LEU N N 47 124.960 125.981 -1.021 1
1 552 . 13 1 1 A 70 70 GLY H H 48 9.580 8.573 1.007 1
1 553 . 13 1 1 A 70 70 GLY HA2 H 48 5.220 4.079 1.141 1
1 554 . 13 1 1 A 70 70 GLY HA3 H 48 3.090 4.277 -1.187 1
1 555 . 13 1 1 A 70 70 GLY C C 48 170.590 172.068 -1.478 1
1 556 . 13 1 1 A 70 70 GLY CA C 48 43.370 43.899 -0.529 1
1 557 . 13 1 1 A 70 70 GLY N N 48 113.940 109.811 4.129 1
1 558 . 13 1 1 A 71 71 LEU H H 49 8.250 8.080 0.170 1
1 559 . 13 1 1 A 71 71 LEU HA H 49 5.150 5.335 -0.185 1
1 569 . 13 1 1 A 71 71 LEU C C 49 173.920 174.260 -0.340 1
1 570 . 13 1 1 A 71 71 LEU CA C 49 52.770 53.441 -0.671 1
1 571 . 13 1 1 A 71 71 LEU CB C 49 43.100 45.459 -2.359 1
1 575 . 13 1 1 A 71 71 LEU N N 49 122.270 120.292 1.978 1
1 576 . 13 1 1 A 72 72 TRP H H 50 8.960 8.797 0.163 1
1 577 . 13 1 1 A 72 72 TRP HA H 50 5.860 5.425 0.435 1
1 584 . 13 1 1 A 72 72 TRP C C 50 175.740 174.822 0.918 1
1 585 . 13 1 1 A 72 72 TRP CA C 50 53.170 55.178 -2.008 1
1 586 . 13 1 1 A 72 72 TRP CB C 50 34.990 32.946 2.044 1
1 590 . 13 1 1 A 72 72 TRP N N 50 125.010 127.190 -2.180 1
1 592 . 13 1 1 A 73 73 SER H H 51 9.010 9.609 -0.599 1
1 593 . 13 1 1 A 73 73 SER HA H 51 4.570 5.077 -0.507 1
1 596 . 13 1 1 A 73 73 SER C C 51 176.240 175.676 0.564 1
1 597 . 13 1 1 A 73 73 SER CA C 51 58.490 59.821 -1.331 1
1 598 . 13 1 1 A 73 73 SER CB C 51 63.770 63.497 0.273 1
1 599 . 13 1 1 A 73 73 SER N N 51 120.380 123.628 -3.248 1
1 600 . 13 1 1 A 74 74 ARG H H 52 9.420 8.753 0.667 1
1 601 . 13 1 1 A 74 74 ARG HA H 52 3.460 3.930 -0.470 1
1 608 . 13 1 1 A 74 74 ARG C C 52 175.610 177.221 -1.611 1
1 609 . 13 1 1 A 74 74 ARG CA C 52 57.590 58.199 -0.609 1
1 610 . 13 1 1 A 74 74 ARG CB C 52 28.900 29.695 -0.795 1
1 613 . 13 1 1 A 74 74 ARG N N 52 128.770 125.520 3.250 1
1 614 . 13 1 1 A 75 75 HIS H H 53 7.910 8.249 -0.339 1
1 615 . 13 1 1 A 75 75 HIS HA H 53 4.310 4.471 -0.161 1
1 619 . 13 1 1 A 75 75 HIS C C 53 176.610 175.281 1.329 1
1 620 . 13 1 1 A 75 75 HIS CA C 53 57.190 58.031 -0.841 1
1 621 . 13 1 1 A 75 75 HIS CB C 53 31.260 29.255 2.005 1
1 623 . 13 1 1 A 75 75 HIS N N 53 117.320 116.273 1.047 1
1 624 . 13 1 1 A 76 76 THR H H 54 7.360 7.358 0.002 1
1 625 . 13 1 1 A 76 76 THR HA H 54 4.540 4.345 0.195 1
1 630 . 13 1 1 A 76 76 THR C C 54 175.120 173.368 1.752 1
1 631 . 13 1 1 A 76 76 THR CA C 54 61.840 60.763 1.077 1
1 632 . 13 1 1 A 76 76 THR CB C 54 69.680 69.880 -0.200 1
1 634 . 13 1 1 A 76 76 THR N N 54 107.350 113.562 -6.212 1
1 635 . 13 1 1 A 77 77 VAL H H 55 6.630 7.115 -0.485 1
1 636 . 13 1 1 A 77 77 VAL HA H 55 2.700 2.468 0.232 1
1 644 . 13 1 1 A 77 77 VAL C C 55 173.920 174.688 -0.768 1
1 645 . 13 1 1 A 77 77 VAL CA C 55 63.500 61.931 1.569 1
1 646 . 13 1 1 A 77 77 VAL CB C 55 31.270 31.872 -0.602 1
1 649 . 13 1 1 A 77 77 VAL N N 55 123.760 122.701 1.059 1
1 650 . 13 1 1 A 78 78 GLU H H 56 6.010 7.558 -1.548 1
1 651 . 13 1 1 A 78 78 GLU HA H 56 4.160 4.725 -0.565 1
1 656 . 13 1 1 A 78 78 GLU CA C 56 53.120 52.392 0.728 1
1 657 . 13 1 1 A 78 78 GLU CB C 56 32.240 31.246 0.994 1
1 659 . 13 1 1 A 78 78 GLU N N 56 124.820 126.921 -2.101 1
1 660 . 13 1 1 A 79 79 PRO HA H 57 4.620 4.465 0.155 1
1 667 . 13 1 1 A 79 79 PRO C C 57 176.190 176.342 -0.152 1
1 668 . 13 1 1 A 79 79 PRO CA C 57 61.890 62.500 -0.610 1
1 669 . 13 1 1 A 79 79 PRO CB C 57 33.620 31.962 1.658 1
1 672 . 13 1 1 A 80 80 LYS H H 58 8.340 8.280 0.060 1
1 673 . 13 1 1 A 80 80 LYS HA H 58 3.880 4.376 -0.496 1
1 682 . 13 1 1 A 80 80 LYS C C 58 177.100 175.347 1.753 1
1 683 . 13 1 1 A 80 80 LYS CA C 58 57.610 56.593 1.017 1
1 684 . 13 1 1 A 80 80 LYS CB C 58 32.400 32.538 -0.138 1
1 688 . 13 1 1 A 80 80 LYS N N 58 121.510 122.300 -0.790 1
1 689 . 13 1 1 A 81 81 ALA H H 59 8.430 8.483 -0.053 1
1 690 . 13 1 1 A 81 81 ALA HA H 59 4.870 5.058 -0.188 1
1 694 . 13 1 1 A 81 81 ALA C C 59 177.460 175.944 1.516 1
1 695 . 13 1 1 A 81 81 ALA CA C 59 51.020 50.471 0.549 1
1 696 . 13 1 1 A 81 81 ALA CB C 59 22.910 22.007 0.903 1
1 697 . 13 1 1 A 81 81 ALA N N 59 129.030 129.885 -0.855 1
1 698 . 13 1 1 A 82 82 SER H H 60 9.680 8.765 0.915 1
1 699 . 13 1 1 A 82 82 SER HA H 60 4.510 4.560 -0.050 1
1 702 . 13 1 1 A 82 82 SER C C 60 172.960 173.519 -0.559 1
1 703 . 13 1 1 A 82 82 SER CA C 60 58.350 58.437 -0.087 1
1 704 . 13 1 1 A 82 82 SER CB C 60 65.150 62.257 2.893 1
1 705 . 13 1 1 A 82 82 SER N N 60 115.930 121.529 -5.599 1
1 706 . 13 1 1 A 83 83 VAL H H 61 7.450 8.366 -0.916 1
1 707 . 13 1 1 A 83 83 VAL HA H 61 4.260 4.858 -0.598 1
1 715 . 13 1 1 A 83 83 VAL CA C 61 60.940 59.744 1.196 1
1 716 . 13 1 1 A 83 83 VAL CB C 61 35.360 34.168 1.192 1
1 719 . 13 1 1 A 83 83 VAL N N 61 121.550 119.158 2.392 1
1 720 . 13 1 1 A 84 84 THR H H 62 7.850 8.907 -1.057 1
1 721 . 13 1 1 A 84 84 THR HA H 62 4.750 5.381 -0.631 1
1 726 . 13 1 1 A 84 84 THR C C 62 174.040 173.318 0.722 1
1 727 . 13 1 1 A 84 84 THR CA C 62 59.370 60.487 -1.117 1
1 728 . 13 1 1 A 84 84 THR CB C 62 68.800 71.346 -2.546 1
1 730 . 13 1 1 A 84 84 THR N N 62 111.040 114.471 -3.431 1
1 731 . 13 1 1 A 85 85 GLY H H 63 7.950 8.743 -0.793 1
1 732 . 13 1 1 A 85 85 GLY HA2 H 63 3.480 4.055 -0.575 1
1 733 . 13 1 1 A 85 85 GLY HA3 H 63 2.950 4.058 -1.108 1
1 734 . 13 1 1 A 85 85 GLY C C 63 174.140 174.042 0.098 1
1 735 . 13 1 1 A 85 85 GLY CA C 63 45.490 45.456 0.034 1
1 736 . 13 1 1 A 85 85 GLY N N 63 109.700 109.905 -0.205 1
1 737 . 13 1 1 A 86 86 GLY H H 64 8.530 7.827 0.703 1
1 738 . 13 1 1 A 86 86 GLY HA2 H 64 4.550 4.092 0.458 1
1 739 . 13 1 1 A 86 86 GLY HA3 H 64 3.700 4.208 -0.508 1
1 740 . 13 1 1 A 86 86 GLY C C 64 174.700 175.117 -0.417 1
1 741 . 13 1 1 A 86 86 GLY CA C 64 45.600 45.603 -0.003 1
1 742 . 13 1 1 A 86 86 GLY N N 64 107.420 106.844 0.576 1
1 743 . 13 1 1 A 87 87 GLY H H 65 9.280 8.221 1.059 1
1 744 . 13 1 1 A 87 87 GLY HA2 H 65 4.860 3.910 0.950 1
1 745 . 13 1 1 A 87 87 GLY HA3 H 65 4.160 3.914 0.246 1
1 746 . 13 1 1 A 87 87 GLY C C 65 172.640 174.535 -1.895 1
1 747 . 13 1 1 A 87 87 GLY CA C 65 45.630 47.059 -1.429 1
1 748 . 13 1 1 A 87 87 GLY N N 65 111.380 107.837 3.543 1
1 749 . 13 1 1 A 88 88 GLY H H 66 6.610 8.592 -1.982 1
1 750 . 13 1 1 A 88 88 GLY HA2 H 66 4.020 4.038 -0.018 1
1 751 . 13 1 1 A 88 88 GLY HA3 H 66 2.360 4.042 -1.682 1
1 752 . 13 1 1 A 88 88 GLY C C 66 172.250 172.973 -0.723 1
1 753 . 13 1 1 A 88 88 GLY CA C 66 43.910 45.129 -1.219 1
1 754 . 13 1 1 A 88 88 GLY N N 66 105.700 113.391 -7.691 1
1 755 . 13 1 1 A 89 89 GLU H H 67 9.230 8.653 0.577 1
1 756 . 13 1 1 A 89 89 GLU HA H 67 5.100 5.234 -0.134 1
1 761 . 13 1 1 A 89 89 GLU C C 67 175.770 174.664 1.106 1
1 762 . 13 1 1 A 89 89 GLU CA C 67 54.540 54.940 -0.400 1
1 763 . 13 1 1 A 89 89 GLU CB C 67 34.710 31.766 2.944 1
1 765 . 13 1 1 A 89 89 GLU N N 67 117.210 118.913 -1.703 1
1 766 . 13 1 1 A 90 90 LEU H H 68 8.470 8.881 -0.411 1
1 767 . 13 1 1 A 90 90 LEU HA H 68 5.050 5.010 0.040 1
1 777 . 13 1 1 A 90 90 LEU C C 68 175.460 174.967 0.493 1
1 778 . 13 1 1 A 90 90 LEU CA C 68 54.160 53.889 0.271 1
1 779 . 13 1 1 A 90 90 LEU CB C 68 44.250 44.552 -0.302 1
1 783 . 13 1 1 A 90 90 LEU N N 68 120.420 123.852 -3.432 1
1 784 . 13 1 1 A 91 91 ALA H H 69 8.880 8.895 -0.015 1
1 785 . 13 1 1 A 91 91 ALA HA H 69 5.990 5.340 0.650 1
1 789 . 13 1 1 A 91 91 ALA C C 69 175.300 176.697 -1.397 1
1 790 . 13 1 1 A 91 91 ALA CA C 69 50.340 50.941 -0.601 1
1 791 . 13 1 1 A 91 91 ALA CB C 69 21.140 20.148 0.992 1
1 792 . 13 1 1 A 91 91 ALA N N 69 124.720 130.642 -5.922 1
1 793 . 13 1 1 A 92 92 PHE H H 70 10.090 9.645 0.445 1
1 794 . 13 1 1 A 92 92 PHE HA H 70 4.700 5.107 -0.407 1
1 802 . 13 1 1 A 92 92 PHE CA C 70 56.580 57.006 -0.426 1
1 803 . 13 1 1 A 92 92 PHE CB C 70 40.490 39.266 1.224 1
1 807 . 13 1 1 A 92 92 PHE N N 70 122.920 124.066 -1.146 1
1 808 . 13 1 1 A 93 93 ARG H H 71 9.030 9.054 -0.024 1
1 809 . 13 1 1 A 93 93 ARG HA H 71 4.460 4.463 -0.003 1
1 816 . 13 1 1 A 93 93 ARG C C 71 176.910 176.057 0.853 1
1 817 . 13 1 1 A 93 93 ARG CA C 71 55.080 55.917 -0.837 1
1 818 . 13 1 1 A 93 93 ARG CB C 71 31.950 31.442 0.508 1
1 821 . 13 1 1 A 93 93 ARG N N 71 125.390 125.037 0.353 1
1 822 . 13 1 1 A 94 94 VAL H H 72 8.470 8.160 0.310 1
1 823 . 13 1 1 A 94 94 VAL HA H 72 4.820 4.682 0.138 1
1 831 . 13 1 1 A 94 94 VAL C C 72 176.320 175.843 0.477 1
1 832 . 13 1 1 A 94 94 VAL CA C 72 59.190 58.824 0.366 1
1 833 . 13 1 1 A 94 94 VAL CB C 72 32.550 35.279 -2.729 1
1 836 . 13 1 1 A 94 94 VAL N N 72 119.430 119.618 -0.188 1
1 837 . 13 1 1 A 95 95 GLU H H 73 8.160 8.942 -0.782 1
1 838 . 13 1 1 A 95 95 GLU HA H 73 3.940 4.201 -0.261 1
1 843 . 13 1 1 A 95 95 GLU C C 73 176.560 176.576 -0.016 1
1 844 . 13 1 1 A 95 95 GLU CA C 73 59.620 58.860 0.760 1
1 845 . 13 1 1 A 95 95 GLU CB C 73 31.400 29.559 1.841 1
1 847 . 13 1 1 A 95 95 GLU N N 73 116.510 120.601 -4.091 1
1 848 . 13 1 1 A 96 96 ASN H H 74 7.240 7.828 -0.588 1
1 849 . 13 1 1 A 96 96 ASN HA H 74 4.780 5.082 -0.302 1
1 854 . 13 1 1 A 96 96 ASN C C 74 174.960 174.664 0.296 1
1 855 . 13 1 1 A 96 96 ASN CA C 74 51.570 52.740 -1.170 1
1 856 . 13 1 1 A 96 96 ASN CB C 74 40.130 39.186 0.944 1
1 857 . 13 1 1 A 96 96 ASN N N 74 108.930 114.416 -5.486 1
1 859 . 13 1 1 A 97 97 ASP H H 75 8.330 9.068 -0.738 1
1 860 . 13 1 1 A 97 97 ASP HA H 75 4.190 4.509 -0.319 1
1 863 . 13 1 1 A 97 97 ASP C C 75 177.800 178.477 -0.677 1
1 864 . 13 1 1 A 97 97 ASP CA C 75 57.780 56.785 0.995 1
1 865 . 13 1 1 A 97 97 ASP CB C 75 39.230 39.404 -0.174 1
1 866 . 13 1 1 A 97 97 ASP N N 75 120.390 118.366 2.024 1
1 867 . 13 1 1 A 98 98 ALA H H 76 8.090 8.109 -0.019 1
1 868 . 13 1 1 A 98 98 ALA HA H 76 4.210 3.962 0.248 1
1 872 . 13 1 1 A 98 98 ALA C C 76 181.130 180.236 0.894 1
1 873 . 13 1 1 A 98 98 ALA CA C 76 55.160 55.384 -0.224 1
1 874 . 13 1 1 A 98 98 ALA CB C 76 17.440 18.125 -0.685 1
1 875 . 13 1 1 A 98 98 ALA N N 76 122.660 121.485 1.175 1
1 876 . 13 1 1 A 99 99 GLN H H 77 8.110 7.804 0.306 1
1 877 . 13 1 1 A 99 99 GLN HA H 77 4.170 4.055 0.115 1
1 884 . 13 1 1 A 99 99 GLN C C 77 180.190 178.689 1.501 1
1 885 . 13 1 1 A 99 99 GLN CA C 77 58.680 58.550 0.130 1
1 886 . 13 1 1 A 99 99 GLN CB C 77 28.590 28.605 -0.015 1
1 888 . 13 1 1 A 99 99 GLN N N 77 116.870 117.982 -1.112 1
1 890 . 13 1 1 A 100 100 VAL H H 78 7.860 7.553 0.307 1
1 891 . 13 1 1 A 100 100 VAL HA H 78 3.400 3.539 -0.139 1
1 899 . 13 1 1 A 100 100 VAL C C 78 177.510 178.167 -0.657 1
1 900 . 13 1 1 A 100 100 VAL CA C 78 67.800 66.377 1.423 1
1 901 . 13 1 1 A 100 100 VAL CB C 78 30.810 31.734 -0.924 1
1 904 . 13 1 1 A 100 100 VAL N N 78 125.200 121.091 4.109 1
1 905 . 13 1 1 A 101 101 ASP H H 79 7.810 7.890 -0.080 1
1 906 . 13 1 1 A 101 101 ASP HA H 79 4.420 4.200 0.220 1
1 909 . 13 1 1 A 101 101 ASP C C 79 175.010 178.630 -3.620 1
1 910 . 13 1 1 A 101 101 ASP CA C 79 58.490 57.060 1.430 1
1 911 . 13 1 1 A 101 101 ASP CB C 79 40.400 40.645 -0.245 1
1 912 . 13 1 1 A 101 101 ASP N N 79 119.560 120.249 -0.689 1
1 913 . 13 1 1 A 102 102 GLU H H 80 8.620 7.967 0.653 1
1 914 . 13 1 1 A 102 102 GLU HA H 80 4.080 4.076 0.004 1
1 919 . 13 1 1 A 102 102 GLU C C 80 179.540 179.654 -0.114 1
1 920 . 13 1 1 A 102 102 GLU CA C 80 59.470 59.266 0.204 1
1 921 . 13 1 1 A 102 102 GLU CB C 80 30.210 29.602 0.608 1
1 923 . 13 1 1 A 102 102 GLU N N 80 121.400 118.962 2.438 1
1 924 . 13 1 1 A 103 103 THR H H 81 8.120 7.595 0.525 1
1 925 . 13 1 1 A 103 103 THR HA H 81 3.660 3.821 -0.161 1
1 930 . 13 1 1 A 103 103 THR C C 81 174.440 176.151 -1.711 1
1 931 . 13 1 1 A 103 103 THR CA C 81 66.990 66.208 0.782 1
1 932 . 13 1 1 A 103 103 THR CB C 81 68.070 68.257 -0.187 1
1 934 . 13 1 1 A 103 103 THR N N 81 118.770 118.370 0.400 1
1 935 . 13 1 1 A 104 104 PHE H H 82 8.340 8.024 0.316 1
1 936 . 13 1 1 A 104 104 PHE HA H 82 3.030 3.755 -0.725 1
1 943 . 13 1 1 A 104 104 PHE C C 82 176.050 176.166 -0.116 1
1 944 . 13 1 1 A 104 104 PHE CA C 82 61.480 62.144 -0.664 1
1 945 . 13 1 1 A 104 104 PHE CB C 82 38.550 38.623 -0.073 1
1 948 . 13 1 1 A 104 104 PHE N N 82 122.350 121.500 0.850 1
1 949 . 13 1 1 A 105 105 ALA H H 83 7.780 8.188 -0.408 1
1 950 . 13 1 1 A 105 105 ALA HA H 83 3.680 4.064 -0.384 1
1 954 . 13 1 1 A 105 105 ALA C C 83 181.410 179.924 1.486 1
1 955 . 13 1 1 A 105 105 ALA CA C 83 54.880 55.069 -0.189 1
1 956 . 13 1 1 A 105 105 ALA CB C 83 18.080 18.157 -0.077 1
1 957 . 13 1 1 A 105 105 ALA N N 83 118.740 121.104 -2.364 1
1 958 . 13 1 1 A 106 106 GLY H H 84 8.120 8.026 0.094 1
1 959 . 13 1 1 A 106 106 GLY HA2 H 84 3.910 3.612 0.298 1
1 960 . 13 1 1 A 106 106 GLY HA3 H 84 3.810 3.637 0.173 1
1 961 . 13 1 1 A 106 106 GLY C C 84 176.780 177.139 -0.359 1
1 962 . 13 1 1 A 106 106 GLY CA C 84 46.910 47.110 -0.200 1
1 963 . 13 1 1 A 106 106 GLY N N 84 107.090 106.256 0.834 1
1 964 . 13 1 1 A 107 107 TRP H H 85 9.240 7.766 1.474 1
1 965 . 13 1 1 A 107 107 TRP HA H 85 4.440 4.529 -0.089 1
1 972 . 13 1 1 A 107 107 TRP C C 85 179.210 178.375 0.835 1
1 973 . 13 1 1 A 107 107 TRP CA C 85 59.190 60.482 -1.292 1
1 974 . 13 1 1 A 107 107 TRP CB C 85 28.450 28.784 -0.334 1
1 978 . 13 1 1 A 107 107 TRP N N 85 124.820 121.618 3.202 1
1 980 . 13 1 1 A 108 108 LYS H H 86 8.610 8.246 0.364 1
1 981 . 13 1 1 A 108 108 LYS HA H 86 3.920 3.888 0.032 1
1 990 . 13 1 1 A 108 108 LYS C C 86 180.980 178.649 2.331 1
1 991 . 13 1 1 A 108 108 LYS CA C 86 60.040 59.421 0.619 1
1 992 . 13 1 1 A 108 108 LYS CB C 86 31.850 32.357 -0.507 1
1 996 . 13 1 1 A 108 108 LYS N N 86 121.490 120.959 0.531 1
1 997 . 13 1 1 A 109 109 ALA H H 87 7.890 7.804 0.086 1
1 998 . 13 1 1 A 109 109 ALA HA H 87 4.150 4.166 -0.016 1
1 1002 . 13 1 1 A 109 109 ALA C C 87 179.050 178.488 0.562 1
1 1003 . 13 1 1 A 109 109 ALA CA C 87 54.670 54.366 0.304 1
1 1004 . 13 1 1 A 109 109 ALA CB C 87 18.010 18.271 -0.261 1
1 1005 . 13 1 1 A 109 109 ALA N N 87 121.920 121.470 0.450 1
1 1006 . 13 1 1 A 110 110 SER H H 88 7.510 7.421 0.089 1
1 1007 . 13 1 1 A 110 110 SER HA H 88 4.450 4.541 -0.091 1
1 1010 . 13 1 1 A 110 110 SER C C 88 174.140 174.033 0.107 1
1 1011 . 13 1 1 A 110 110 SER CA C 88 58.750 58.261 0.489 1
1 1012 . 13 1 1 A 110 110 SER CB C 88 63.950 63.318 0.632 1
1 1013 . 13 1 1 A 110 110 SER N N 88 112.390 111.198 1.192 1
1 1014 . 13 1 1 A 111 111 GLY H H 89 7.790 7.953 -0.163 1
1 1015 . 13 1 1 A 111 111 GLY HA2 H 89 4.180 3.992 0.188 1
1 1016 . 13 1 1 A 111 111 GLY HA3 H 89 3.700 4.035 -0.335 1
1 1017 . 13 1 1 A 111 111 GLY C C 89 174.520 174.739 -0.219 1
1 1018 . 13 1 1 A 111 111 GLY CA C 89 45.530 46.965 -1.435 1
1 1019 . 13 1 1 A 111 111 GLY N N 89 108.220 110.213 -1.993 1
1 1020 . 13 1 1 A 112 112 VAL H H 90 7.660 7.661 -0.001 1
1 1021 . 13 1 1 A 112 112 VAL HA H 90 3.830 4.362 -0.532 1
1 1029 . 13 1 1 A 112 112 VAL C C 90 175.430 176.624 -1.194 1
1 1030 . 13 1 1 A 112 112 VAL CA C 90 63.880 60.707 3.173 1
1 1031 . 13 1 1 A 112 112 VAL CB C 90 32.040 33.248 -1.208 1
1 1034 . 13 1 1 A 112 112 VAL N N 90 122.880 119.623 3.257 1
1 1035 . 13 1 1 A 113 113 ALA H H 91 8.720 8.496 0.224 1
1 1036 . 13 1 1 A 113 113 ALA HA H 91 4.210 3.968 0.242 1
1 1040 . 13 1 1 A 113 113 ALA C C 91 176.290 177.947 -1.657 1
1 1041 . 13 1 1 A 113 113 ALA CA C 91 52.900 54.842 -1.942 1
1 1042 . 13 1 1 A 113 113 ALA CB C 91 19.290 18.549 0.741 1
1 1043 . 13 1 1 A 113 113 ALA N N 91 132.080 130.404 1.676 1
1 1044 . 13 1 1 A 114 114 MET H H 92 8.260 7.656 0.604 1
1 1045 . 13 1 1 A 114 114 MET HA H 92 5.330 4.228 1.102 1
1 1051 . 13 1 1 A 114 114 MET C C 92 176.780 176.481 0.299 1
1 1052 . 13 1 1 A 114 114 MET CA C 92 53.390 56.090 -2.700 1
1 1053 . 13 1 1 A 114 114 MET CB C 92 33.450 30.227 3.223 1
1 1055 . 13 1 1 A 114 114 MET N N 92 116.930 116.940 -0.010 1
1 1056 . 13 1 1 A 115 115 LEU H H 93 8.990 8.122 0.868 1
1 1057 . 13 1 1 A 115 115 LEU HA H 93 4.550 4.988 -0.438 1
1 1067 . 13 1 1 A 115 115 LEU C C 93 176.630 175.660 0.970 1
1 1068 . 13 1 1 A 115 115 LEU CA C 93 55.140 53.966 1.174 1
1 1069 . 13 1 1 A 115 115 LEU CB C 93 44.810 42.599 2.211 1
1 1073 . 13 1 1 A 115 115 LEU N N 93 122.250 119.573 2.677 1
1 1074 . 13 1 1 A 116 116 GLN H H 94 8.280 8.263 0.017 1
1 1075 . 13 1 1 A 116 116 GLN HA H 94 4.700 4.709 -0.009 1
1 1080 . 13 1 1 A 116 116 GLN C C 94 174.860 174.044 0.816 1
1 1081 . 13 1 1 A 116 116 GLN CA C 94 55.600 55.932 -0.332 1
1 1082 . 13 1 1 A 116 116 GLN CB C 94 33.510 32.750 0.760 1
1 1083 . 13 1 1 A 116 116 GLN N N 94 121.140 123.411 -2.271 1
1 1085 . 13 1 1 A 117 117 GLN H H 95 8.490 8.705 -0.215 1
1 1086 . 13 1 1 A 117 117 GLN HA H 95 4.080 4.856 -0.776 1
1 1093 . 13 1 1 A 117 117 GLN CA C 95 54.860 52.952 1.908 1
1 1094 . 13 1 1 A 117 117 GLN CB C 95 26.550 29.151 -2.601 1
1 1096 . 13 1 1 A 117 117 GLN N N 95 125.610 125.277 0.333 1
1 1098 . 13 1 1 A 118 118 PRO HA H 96 4.410 4.612 -0.202 1
1 1103 . 13 1 1 A 118 118 PRO C C 96 176.290 175.869 0.421 1
1 1104 . 13 1 1 A 118 118 PRO CA C 96 64.130 63.001 1.129 1
1 1105 . 13 1 1 A 118 118 PRO CB C 96 30.550 31.709 -1.159 1
1 1107 . 13 1 1 A 119 119 ALA H H 97 8.980 8.368 0.612 1
1 1108 . 13 1 1 A 119 119 ALA HA H 97 4.550 5.013 -0.463 1
1 1112 . 13 1 1 A 119 119 ALA C C 97 175.820 176.106 -0.286 1
1 1113 . 13 1 1 A 119 119 ALA CA C 97 51.100 50.615 0.485 1
1 1114 . 13 1 1 A 119 119 ALA CB C 97 22.150 22.930 -0.780 1
1 1115 . 13 1 1 A 119 119 ALA N N 97 126.580 125.091 1.489 1
1 1116 . 13 1 1 A 120 120 LYS H H 98 8.710 8.678 0.032 1
1 1117 . 13 1 1 A 120 120 LYS HA H 98 4.450 4.701 -0.251 1
1 1126 . 13 1 1 A 120 120 LYS C C 98 175.950 175.961 -0.011 1
1 1127 . 13 1 1 A 120 120 LYS CA C 98 56.360 57.158 -0.798 1
1 1128 . 13 1 1 A 120 120 LYS CB C 98 32.090 32.810 -0.720 1
1 1132 . 13 1 1 A 120 120 LYS N N 98 121.330 121.824 -0.494 1
1 1133 . 13 1 1 A 121 121 MET H H 99 8.130 8.276 -0.146 1
1 1138 . 13 1 1 A 121 121 MET N N 99 125.590 124.638 0.952 1
1 1139 . 13 1 1 A 122 122 GLU HA H 100 3.890 3.946 -0.056 1
1 1144 . 13 1 1 A 122 122 GLU C C 100 176.450 177.766 -1.316 1
1 1145 . 13 1 1 A 122 122 GLU CA C 100 59.740 59.756 -0.016 1
1 1146 . 13 1 1 A 122 122 GLU CB C 100 29.200 29.512 -0.312 1
1 1148 . 13 1 1 A 123 123 PHE H H 101 6.120 7.832 -1.712 1
1 1149 . 13 1 1 A 123 123 PHE HA H 101 4.430 4.684 -0.254 1
1 1152 . 13 1 1 A 123 123 PHE C C 101 173.950 175.297 -1.347 1
1 1153 . 13 1 1 A 123 123 PHE CA C 101 54.750 58.069 -3.319 1
1 1154 . 13 1 1 A 123 123 PHE CB C 101 38.630 39.461 -0.831 1
1 1155 . 13 1 1 A 123 123 PHE N N 101 108.900 115.966 -7.066 1
1 1156 . 13 1 1 A 124 124 GLY H H 102 6.670 7.293 -0.623 1
1 1157 . 13 1 1 A 124 124 GLY HA2 H 102 4.780 4.158 0.622 1
1 1158 . 13 1 1 A 124 124 GLY HA3 H 102 3.770 4.287 -0.517 1
1 1159 . 13 1 1 A 124 124 GLY C C 102 170.410 172.137 -1.727 1
1 1160 . 13 1 1 A 124 124 GLY CA C 102 44.570 44.238 0.332 1
1 1161 . 13 1 1 A 124 124 GLY N N 102 108.900 107.603 1.297 1
1 1162 . 13 1 1 A 125 125 TYR H H 103 8.210 8.345 -0.135 1
1 1163 . 13 1 1 A 125 125 TYR HA H 103 5.080 4.857 0.223 1
1 1170 . 13 1 1 A 125 125 TYR C C 103 175.980 174.357 1.623 1
1 1171 . 13 1 1 A 125 125 TYR CA C 103 56.530 57.030 -0.500 1
1 1172 . 13 1 1 A 125 125 TYR CB C 103 40.180 38.707 1.473 1
1 1175 . 13 1 1 A 125 125 TYR N N 103 123.360 121.604 1.756 1
1 1176 . 13 1 1 A 126 126 THR H H 104 8.450 8.739 -0.289 1
1 1177 . 13 1 1 A 126 126 THR HA H 104 5.630 5.401 0.229 1
1 1182 . 13 1 1 A 126 126 THR C C 104 170.010 172.319 -2.309 1
1 1183 . 13 1 1 A 126 126 THR CA C 104 58.490 59.915 -1.425 1
1 1184 . 13 1 1 A 126 126 THR CB C 104 72.110 72.266 -0.156 1
1 1186 . 13 1 1 A 126 126 THR N N 104 120.720 122.456 -1.736 1
1 1187 . 13 1 1 A 127 127 PHE H H 105 8.170 8.953 -0.783 1
1 1188 . 13 1 1 A 127 127 PHE HA H 105 4.620 5.161 -0.541 1
1 1195 . 13 1 1 A 127 127 PHE C C 105 172.490 173.188 -0.698 1
1 1196 . 13 1 1 A 127 127 PHE CA C 105 56.610 57.387 -0.777 1
1 1197 . 13 1 1 A 127 127 PHE CB C 105 41.710 42.741 -1.031 1
1 1200 . 13 1 1 A 127 127 PHE N N 105 120.530 127.274 -6.744 1
1 1201 . 13 1 1 A 128 128 THR H H 106 8.450 8.671 -0.221 1
1 1202 . 13 1 1 A 128 128 THR HA H 106 5.090 5.166 -0.076 1
1 1207 . 13 1 1 A 128 128 THR C C 106 172.750 173.480 -0.730 1
1 1208 . 13 1 1 A 128 128 THR CA C 106 63.340 60.848 2.492 1
1 1209 . 13 1 1 A 128 128 THR CB C 106 70.420 71.253 -0.833 1
1 1211 . 13 1 1 A 128 128 THR N N 106 114.010 120.938 -6.928 1
1 1212 . 13 1 1 A 129 129 ALA H H 107 10.030 9.075 0.955 1
1 1213 . 13 1 1 A 129 129 ALA HA H 107 5.540 5.215 0.325 1
1 1217 . 13 1 1 A 129 129 ALA C C 107 179.620 175.622 3.998 1
1 1218 . 13 1 1 A 129 129 ALA CA C 107 50.640 50.302 0.338 1
1 1219 . 13 1 1 A 129 129 ALA CB C 107 24.570 22.451 2.119 1
1 1220 . 13 1 1 A 129 129 ALA N N 107 135.110 129.449 5.661 1
1 1221 . 13 1 1 A 130 130 ALA H H 108 8.650 8.767 -0.117 1
1 1222 . 13 1 1 A 130 130 ALA HA H 108 5.380 5.435 -0.055 1
1 1226 . 13 1 1 A 130 130 ALA C C 108 175.480 176.104 -0.624 1
1 1227 . 13 1 1 A 130 130 ALA CA C 108 50.100 50.135 -0.035 1
1 1228 . 13 1 1 A 130 130 ALA CB C 108 22.770 22.612 0.158 1
1 1229 . 13 1 1 A 130 130 ALA N N 108 121.150 120.988 0.162 1
1 1230 . 13 1 1 A 131 131 ASP H H 109 8.770 8.693 0.077 1
1 1231 . 13 1 1 A 131 131 ASP HA H 109 3.910 4.334 -0.424 1
1 1234 . 13 1 1 A 131 131 ASP CA C 109 51.290 52.539 -1.249 1
1 1235 . 13 1 1 A 131 131 ASP CB C 109 41.350 39.932 1.418 1
1 1236 . 13 1 1 A 131 131 ASP N N 109 123.100 123.223 -0.123 1
1 1237 . 13 1 1 A 132 132 PRO HA H 110 4.140 4.096 0.044 1
1 1242 . 13 1 1 A 132 132 PRO C C 110 176.890 177.186 -0.296 1
1 1243 . 13 1 1 A 132 132 PRO CA C 110 65.730 64.959 0.771 1
1 1244 . 13 1 1 A 132 132 PRO CB C 110 31.850 31.459 0.391 1
1 1246 . 13 1 1 A 133 133 ASP H H 111 8.740 7.247 1.493 1
1 1247 . 13 1 1 A 133 133 ASP HA H 111 4.800 4.564 0.236 1
1 1250 . 13 1 1 A 133 133 ASP C C 111 173.720 174.729 -1.009 1
1 1251 . 13 1 1 A 133 133 ASP CA C 111 54.140 53.171 0.969 1
1 1252 . 13 1 1 A 133 133 ASP CB C 111 42.910 40.524 2.386 1
1 1253 . 13 1 1 A 133 133 ASP N N 111 118.220 116.016 2.204 1
1 1254 . 13 1 1 A 134 134 SER H H 112 8.370 7.656 0.714 1
1 1255 . 13 1 1 A 134 134 SER HA H 112 3.710 4.019 -0.309 1
1 1258 . 13 1 1 A 134 134 SER CA C 112 60.670 58.795 1.875 1
1 1259 . 13 1 1 A 134 134 SER CB C 112 61.430 61.564 -0.134 1
1 1260 . 13 1 1 A 134 134 SER N N 112 109.220 111.833 -2.613 1
1 1261 . 13 1 1 A 135 135 HIS H H 113 8.850 7.547 1.303 1
1 1268 . 13 1 1 A 135 135 HIS N N 113 122.820 118.696 4.124 1
1 1269 . 13 1 1 A 136 136 ARG HA H 114 4.680 5.005 -0.325 1
1 1270 . 13 1 1 A 136 136 ARG C C 114 175.220 175.480 -0.260 1
1 1271 . 13 1 1 A 136 136 ARG CA C 114 57.560 54.950 2.610 1
1 1272 . 13 1 1 A 137 137 LEU H H 115 8.680 8.996 -0.316 1
1 1273 . 13 1 1 A 137 137 LEU HA H 115 5.490 5.280 0.210 1
1 1282 . 13 1 1 A 137 137 LEU C C 115 174.620 175.064 -0.444 1
1 1283 . 13 1 1 A 137 137 LEU CA C 115 52.580 54.034 -1.454 1
1 1284 . 13 1 1 A 137 137 LEU CB C 115 43.070 43.463 -0.393 1
1 1287 . 13 1 1 A 137 137 LEU N N 115 123.990 126.074 -2.084 1
1 1288 . 13 1 1 A 138 138 ARG H H 116 9.510 9.347 0.163 1
1 1289 . 13 1 1 A 138 138 ARG HA H 116 5.120 5.038 0.082 1
1 1292 . 13 1 1 A 138 138 ARG C C 116 175.090 174.645 0.445 1
1 1293 . 13 1 1 A 138 138 ARG CA C 116 54.700 55.338 -0.638 1
1 1294 . 13 1 1 A 138 138 ARG CB C 116 33.480 31.312 2.168 1
1 1295 . 13 1 1 A 138 138 ARG N N 116 125.370 126.609 -1.239 1
1 1296 . 13 1 1 A 139 139 VAL H H 117 7.970 8.443 -0.473 1
1 1297 . 13 1 1 A 139 139 VAL HA H 117 5.280 4.997 0.283 1
1 1305 . 13 1 1 A 139 139 VAL C C 117 176.390 175.412 0.978 1
1 1306 . 13 1 1 A 139 139 VAL CA C 117 60.090 62.050 -1.960 1
1 1307 . 13 1 1 A 139 139 VAL CB C 117 32.690 31.346 1.344 1
1 1310 . 13 1 1 A 139 139 VAL N N 117 128.260 126.794 1.466 1
1 1311 . 13 1 1 A 140 140 TYR H H 118 9.200 9.160 0.040 1
1 1312 . 13 1 1 A 140 140 TYR HA H 118 5.800 5.866 -0.066 1
1 1319 . 13 1 1 A 140 140 TYR C C 118 170.820 173.221 -2.401 1
1 1320 . 13 1 1 A 140 140 TYR CA C 118 56.060 55.275 0.785 1
1 1321 . 13 1 1 A 140 140 TYR CB C 118 42.460 41.378 1.082 1
1 1324 . 13 1 1 A 140 140 TYR N N 118 127.020 124.784 2.236 1
1 1325 . 13 1 1 A 141 141 ALA H H 119 8.330 9.171 -0.841 1
1 1326 . 13 1 1 A 141 141 ALA HA H 119 4.560 5.212 -0.652 1
1 1330 . 13 1 1 A 141 141 ALA C C 119 177.150 176.015 1.135 1
1 1331 . 13 1 1 A 141 141 ALA CA C 119 50.530 50.480 0.050 1
1 1332 . 13 1 1 A 141 141 ALA CB C 119 21.220 21.484 -0.264 1
1 1333 . 13 1 1 A 141 141 ALA N N 119 121.160 122.910 -1.750 1
1 1334 . 13 1 1 A 142 142 PHE H H 120 8.780 8.594 0.186 1
1 1335 . 13 1 1 A 142 142 PHE HA H 120 4.910 4.903 0.007 1
1 1340 . 13 1 1 A 142 142 PHE C C 120 175.090 174.636 0.454 1
1 1341 . 13 1 1 A 142 142 PHE CA C 120 57.720 57.542 0.178 1
1 1342 . 13 1 1 A 142 142 PHE CB C 120 40.810 39.911 0.899 1
1 1344 . 13 1 1 A 142 142 PHE N N 120 122.630 126.218 -3.588 1
1 1345 . 13 1 1 A 143 143 ALA H H 121 8.190 8.367 -0.177 1
1 1346 . 13 1 1 A 143 143 ALA HA H 121 4.330 3.997 0.333 1
1 1350 . 13 1 1 A 143 143 ALA C C 121 176.260 177.583 -1.323 1
1 1351 . 13 1 1 A 143 143 ALA CA C 121 52.280 53.284 -1.004 1
1 1352 . 13 1 1 A 143 143 ALA CB C 121 19.310 18.073 1.237 1
1 1353 . 13 1 1 A 143 143 ALA N N 121 129.460 129.160 0.300 1
1 16 . 14 1 1 A 24 24 THR H H 2 8.350 8.014 0.336 1
1 17 . 14 1 1 A 24 24 THR HA H 2 4.470 4.430 0.040 1
1 22 . 14 1 1 A 24 24 THR CA C 2 61.890 63.204 -1.314 1
1 23 . 14 1 1 A 24 24 THR CB C 2 69.630 69.435 0.195 1
1 25 . 14 1 1 A 24 24 THR N N 2 117.720 114.887 2.833 1
1 26 . 14 1 1 A 25 25 HIS H H 3 8.630 8.887 -0.257 1
1 27 . 14 1 1 A 25 25 HIS HA H 3 5.200 5.009 0.191 1
1 30 . 14 1 1 A 25 25 HIS CA C 3 51.620 53.813 -2.193 1
1 31 . 14 1 1 A 25 25 HIS CB C 3 33.320 30.652 2.668 1
1 32 . 14 1 1 A 25 25 HIS N N 3 124.890 126.034 -1.144 1
1 33 . 14 1 1 A 26 26 PRO HA H 4 4.170 4.836 -0.666 1
1 40 . 14 1 1 A 26 26 PRO C C 4 175.740 176.095 -0.355 1
1 41 . 14 1 1 A 26 26 PRO CA C 4 62.740 62.317 0.423 1
1 42 . 14 1 1 A 26 26 PRO CB C 4 31.460 32.914 -1.454 1
1 45 . 14 1 1 A 27 27 ASP H H 5 8.270 8.583 -0.313 1
1 46 . 14 1 1 A 27 27 ASP HA H 5 4.810 5.032 -0.222 1
1 49 . 14 1 1 A 27 27 ASP C C 5 175.400 175.505 -0.105 1
1 50 . 14 1 1 A 27 27 ASP CA C 5 53.310 53.502 -0.192 1
1 51 . 14 1 1 A 27 27 ASP CB C 5 42.390 42.072 0.318 1
1 52 . 14 1 1 A 27 27 ASP N N 5 119.440 118.543 0.897 1
1 53 . 14 1 1 A 28 28 PHE H H 6 7.280 7.714 -0.434 1
1 54 . 14 1 1 A 28 28 PHE HA H 6 5.440 5.305 0.135 1
1 61 . 14 1 1 A 28 28 PHE C C 6 174.180 173.632 0.548 1
1 62 . 14 1 1 A 28 28 PHE CA C 6 54.590 56.441 -1.851 1
1 63 . 14 1 1 A 28 28 PHE CB C 6 42.310 42.535 -0.225 1
1 66 . 14 1 1 A 28 28 PHE N N 6 118.410 120.367 -1.957 1
1 67 . 14 1 1 A 29 29 THR H H 7 8.500 8.698 -0.198 1
1 68 . 14 1 1 A 29 29 THR HA H 7 4.800 4.890 -0.090 1
1 73 . 14 1 1 A 29 29 THR C C 7 172.280 172.920 -0.640 1
1 74 . 14 1 1 A 29 29 THR CA C 7 62.550 60.139 2.411 1
1 75 . 14 1 1 A 29 29 THR CB C 7 70.420 71.541 -1.121 1
1 77 . 14 1 1 A 29 29 THR N N 7 123.070 121.034 2.036 1
1 78 . 14 1 1 A 30 30 ILE H H 8 9.270 8.876 0.394 1
1 79 . 14 1 1 A 30 30 ILE HA H 8 4.680 4.752 -0.072 1
1 89 . 14 1 1 A 30 30 ILE C C 8 173.970 174.428 -0.458 1
1 90 . 14 1 1 A 30 30 ILE CA C 8 59.220 59.762 -0.542 1
1 91 . 14 1 1 A 30 30 ILE CB C 8 40.210 41.004 -0.794 1
1 95 . 14 1 1 A 30 30 ILE N N 8 126.920 127.463 -0.543 1
1 96 . 14 1 1 A 31 31 LEU H H 9 8.760 8.544 0.216 1
1 97 . 14 1 1 A 31 31 LEU HA H 9 4.330 4.617 -0.287 1
1 107 . 14 1 1 A 31 31 LEU C C 9 176.520 175.200 1.320 1
1 108 . 14 1 1 A 31 31 LEU CA C 9 52.960 53.573 -0.613 1
1 109 . 14 1 1 A 31 31 LEU CB C 9 41.820 43.971 -2.151 1
1 113 . 14 1 1 A 31 31 LEU N N 9 126.000 127.131 -1.131 1
1 114 . 14 1 1 A 32 32 TYR H H 10 8.190 8.618 -0.428 1
1 115 . 14 1 1 A 32 32 TYR HA H 10 5.980 5.613 0.367 1
1 118 . 14 1 1 A 32 32 TYR C C 10 177.720 176.023 1.697 1
1 119 . 14 1 1 A 32 32 TYR CA C 10 53.120 57.090 -3.970 1
1 120 . 14 1 1 A 32 32 TYR CB C 10 36.560 39.987 -3.427 1
1 121 . 14 1 1 A 32 32 TYR N N 10 122.130 123.364 -1.234 1
1 122 . 14 1 1 A 33 33 VAL H H 11 8.470 8.883 -0.413 1
1 123 . 14 1 1 A 33 33 VAL HA H 11 4.990 5.008 -0.018 1
1 131 . 14 1 1 A 33 33 VAL C C 11 176.030 175.294 0.736 1
1 132 . 14 1 1 A 33 33 VAL CA C 11 58.240 59.128 -0.888 1
1 133 . 14 1 1 A 33 33 VAL CB C 11 35.090 34.858 0.232 1
1 136 . 14 1 1 A 33 33 VAL N N 11 113.820 117.805 -3.985 1
1 137 . 14 1 1 A 34 34 ASP H H 12 9.750 9.122 0.628 1
1 138 . 14 1 1 A 34 34 ASP HA H 12 4.550 4.787 -0.237 1
1 141 . 14 1 1 A 34 34 ASP C C 12 177.230 175.501 1.729 1
1 142 . 14 1 1 A 34 34 ASP CA C 12 58.000 55.809 2.191 1
1 143 . 14 1 1 A 34 34 ASP CB C 12 42.780 41.760 1.020 1
1 144 . 14 1 1 A 34 34 ASP N N 12 124.140 121.267 2.873 1
1 145 . 14 1 1 A 35 35 ASN H H 13 9.250 8.016 1.234 1
1 146 . 14 1 1 A 35 35 ASN HA H 13 5.120 4.985 0.135 1
1 151 . 14 1 1 A 35 35 ASN CA C 13 50.610 50.151 0.459 1
1 152 . 14 1 1 A 35 35 ASN CB C 13 39.920 39.449 0.471 1
1 153 . 14 1 1 A 35 35 ASN N N 13 114.460 117.258 -2.798 1
1 155 . 14 1 1 A 37 37 PRO HA H 15 4.350 4.272 0.078 1
1 162 . 14 1 1 A 37 37 PRO C C 15 179.310 179.438 -0.128 1
1 163 . 14 1 1 A 37 37 PRO CA C 15 67.480 66.567 0.913 1
1 164 . 14 1 1 A 37 37 PRO CB C 15 31.340 30.843 0.497 1
1 167 . 14 1 1 A 38 38 ALA H H 16 7.740 8.248 -0.508 1
1 168 . 14 1 1 A 38 38 ALA HA H 16 4.310 4.134 0.176 1
1 172 . 14 1 1 A 38 38 ALA C C 16 182.490 180.305 2.185 1
1 173 . 14 1 1 A 38 38 ALA CA C 16 55.160 55.252 -0.092 1
1 174 . 14 1 1 A 38 38 ALA CB C 16 18.360 18.379 -0.019 1
1 175 . 14 1 1 A 38 38 ALA N N 16 121.510 119.268 2.242 1
1 176 . 14 1 1 A 39 39 SER H H 17 8.770 7.798 0.972 1
1 177 . 14 1 1 A 39 39 SER HA H 17 4.190 4.516 -0.326 1
1 180 . 14 1 1 A 39 39 SER C C 17 175.610 176.913 -1.303 1
1 181 . 14 1 1 A 39 39 SER CA C 17 64.260 61.802 2.458 1
1 182 . 14 1 1 A 39 39 SER CB C 17 62.790 63.399 -0.609 1
1 183 . 14 1 1 A 39 39 SER N N 17 117.520 114.418 3.102 1
1 184 . 14 1 1 A 40 40 THR H H 18 9.310 7.903 1.407 1
1 185 . 14 1 1 A 40 40 THR HA H 18 4.480 4.295 0.185 1
1 190 . 14 1 1 A 40 40 THR C C 18 175.590 177.267 -1.677 1
1 191 . 14 1 1 A 40 40 THR CA C 18 68.130 66.704 1.426 1
1 192 . 14 1 1 A 40 40 THR CB C 18 68.480 68.397 0.083 1
1 194 . 14 1 1 A 40 40 THR N N 18 120.600 118.230 2.370 1
1 195 . 14 1 1 A 41 41 GLN H H 19 7.610 7.924 -0.314 1
1 196 . 14 1 1 A 41 41 GLN HA H 19 4.080 4.145 -0.065 1
1 203 . 14 1 1 A 41 41 GLN C C 19 178.110 178.197 -0.087 1
1 204 . 14 1 1 A 41 41 GLN CA C 19 59.170 58.950 0.220 1
1 205 . 14 1 1 A 41 41 GLN CB C 19 28.170 28.508 -0.338 1
1 207 . 14 1 1 A 41 41 GLN N N 19 120.130 120.602 -0.472 1
1 209 . 14 1 1 A 42 42 PHE H H 20 7.710 7.943 -0.233 1
1 210 . 14 1 1 A 42 42 PHE HA H 20 4.080 4.212 -0.132 1
1 218 . 14 1 1 A 42 42 PHE C C 20 177.460 177.115 0.345 1
1 219 . 14 1 1 A 42 42 PHE CA C 20 61.760 61.362 0.398 1
1 220 . 14 1 1 A 42 42 PHE CB C 20 38.590 38.929 -0.339 1
1 224 . 14 1 1 A 42 42 PHE N N 20 120.560 122.754 -2.194 1
1 225 . 14 1 1 A 43 43 TYR H H 21 8.890 8.252 0.638 1
1 226 . 14 1 1 A 43 43 TYR HA H 21 3.700 4.214 -0.514 1
1 233 . 14 1 1 A 43 43 TYR C C 21 177.640 178.124 -0.484 1
1 234 . 14 1 1 A 43 43 TYR CA C 21 64.290 61.469 2.821 1
1 235 . 14 1 1 A 43 43 TYR CB C 21 38.110 37.419 0.691 1
1 238 . 14 1 1 A 43 43 TYR N N 21 118.420 117.716 0.704 1
1 239 . 14 1 1 A 44 44 LYS H H 22 8.860 8.147 0.713 1
1 240 . 14 1 1 A 44 44 LYS HA H 22 4.630 3.941 0.689 1
1 249 . 14 1 1 A 44 44 LYS C C 22 179.780 179.260 0.520 1
1 250 . 14 1 1 A 44 44 LYS CA C 22 59.630 59.628 0.002 1
1 251 . 14 1 1 A 44 44 LYS CB C 22 33.210 32.491 0.719 1
1 255 . 14 1 1 A 44 44 LYS N N 22 122.200 120.090 2.110 1
1 256 . 14 1 1 A 45 45 ALA H H 23 7.180 7.514 -0.334 1
1 257 . 14 1 1 A 45 45 ALA HA H 23 4.040 4.045 -0.005 1
1 261 . 14 1 1 A 45 45 ALA C C 23 179.130 179.998 -0.868 1
1 262 . 14 1 1 A 45 45 ALA CA C 23 54.350 54.557 -0.207 1
1 263 . 14 1 1 A 45 45 ALA CB C 23 18.030 18.337 -0.307 1
1 264 . 14 1 1 A 45 45 ALA N N 23 120.710 121.625 -0.915 1
1 265 . 14 1 1 A 46 46 LEU H H 24 7.510 7.667 -0.157 1
1 266 . 14 1 1 A 46 46 LEU HA H 24 3.550 3.847 -0.297 1
1 276 . 14 1 1 A 46 46 LEU C C 24 178.680 178.745 -0.065 1
1 277 . 14 1 1 A 46 46 LEU CA C 24 57.910 57.935 -0.025 1
1 278 . 14 1 1 A 46 46 LEU CB C 24 43.950 41.391 2.559 1
1 282 . 14 1 1 A 46 46 LEU N N 24 118.650 120.562 -1.912 1
1 283 . 14 1 1 A 47 47 LEU H H 25 8.800 7.612 1.188 1
1 284 . 14 1 1 A 47 47 LEU HA H 25 4.480 4.428 0.052 1
1 294 . 14 1 1 A 47 47 LEU C C 25 178.960 177.171 1.789 1
1 295 . 14 1 1 A 47 47 LEU CA C 25 55.010 56.110 -1.100 1
1 296 . 14 1 1 A 47 47 LEU CB C 25 42.500 42.655 -0.155 1
1 300 . 14 1 1 A 47 47 LEU N N 25 112.540 118.231 -5.691 1
1 301 . 14 1 1 A 48 48 GLY H H 26 7.810 8.163 -0.353 1
1 302 . 14 1 1 A 48 48 GLY HA2 H 26 4.030 3.944 0.086 1
1 303 . 14 1 1 A 48 48 GLY HA3 H 26 3.900 3.967 -0.067 1
1 304 . 14 1 1 A 48 48 GLY C C 26 173.560 173.888 -0.328 1
1 305 . 14 1 1 A 48 48 GLY CA C 26 46.810 45.716 1.094 1
1 306 . 14 1 1 A 48 48 GLY N N 26 107.650 106.564 1.086 1
1 307 . 14 1 1 A 49 49 VAL H H 27 7.100 7.284 -0.184 1
1 308 . 14 1 1 A 49 49 VAL HA H 27 4.700 4.812 -0.112 1
1 316 . 14 1 1 A 49 49 VAL C C 27 172.980 173.862 -0.882 1
1 317 . 14 1 1 A 49 49 VAL CA C 27 58.680 59.095 -0.415 1
1 318 . 14 1 1 A 49 49 VAL CB C 27 36.090 36.127 -0.037 1
1 321 . 14 1 1 A 49 49 VAL N N 27 110.770 115.041 -4.271 1
1 322 . 14 1 1 A 50 50 ASP H H 28 8.100 8.861 -0.761 1
1 323 . 14 1 1 A 50 50 ASP HA H 28 4.930 5.308 -0.378 1
1 326 . 14 1 1 A 50 50 ASP CA C 28 52.550 51.239 1.311 1
1 327 . 14 1 1 A 50 50 ASP CB C 28 40.520 43.603 -3.083 1
1 328 . 14 1 1 A 50 50 ASP N N 28 119.760 119.833 -0.073 1
1 329 . 14 1 1 A 51 51 PRO HA H 29 3.700 4.772 -1.072 1
1 336 . 14 1 1 A 51 51 PRO C C 29 176.580 177.907 -1.327 1
1 337 . 14 1 1 A 51 51 PRO CA C 29 62.900 62.995 -0.095 1
1 338 . 14 1 1 A 51 51 PRO CB C 29 30.550 31.842 -1.292 1
1 341 . 14 1 1 A 52 52 VAL H H 30 8.340 8.487 -0.147 1
1 342 . 14 1 1 A 52 52 VAL HA H 30 4.080 4.044 0.036 1
1 350 . 14 1 1 A 52 52 VAL C C 30 176.190 175.703 0.487 1
1 351 . 14 1 1 A 52 52 VAL CA C 30 62.790 64.084 -1.294 1
1 352 . 14 1 1 A 52 52 VAL CB C 30 32.280 32.523 -0.243 1
1 355 . 14 1 1 A 52 52 VAL N N 30 117.320 124.449 -7.129 1
1 356 . 14 1 1 A 53 53 GLU H H 31 7.170 7.604 -0.434 1
1 357 . 14 1 1 A 53 53 GLU HA H 31 4.580 4.818 -0.238 1
1 362 . 14 1 1 A 53 53 GLU C C 31 174.940 175.306 -0.366 1
1 363 . 14 1 1 A 53 53 GLU CA C 31 55.330 55.097 0.233 1
1 364 . 14 1 1 A 53 53 GLU CB C 31 33.370 31.173 2.197 1
1 366 . 14 1 1 A 53 53 GLU N N 31 118.180 120.371 -2.191 1
1 367 . 14 1 1 A 54 54 SER H H 32 8.650 8.885 -0.235 1
1 368 . 14 1 1 A 54 54 SER HA H 32 5.130 5.611 -0.481 1
1 371 . 14 1 1 A 54 54 SER C C 32 171.990 173.214 -1.224 1
1 372 . 14 1 1 A 54 54 SER CA C 32 57.940 55.956 1.984 1
1 373 . 14 1 1 A 54 54 SER CB C 32 64.720 66.389 -1.669 1
1 374 . 14 1 1 A 54 54 SER N N 32 117.210 119.574 -2.364 1
1 375 . 14 1 1 A 55 55 SER H H 33 8.760 8.384 0.376 1
1 376 . 14 1 1 A 55 55 SER N N 33 124.420 116.567 7.853 1
1 377 . 14 1 1 A 56 56 PRO HA H 34 4.320 4.440 -0.120 1
1 382 . 14 1 1 A 56 56 PRO C C 34 177.290 177.117 0.173 1
1 383 . 14 1 1 A 56 56 PRO CA C 34 65.750 64.694 1.056 1
1 384 . 14 1 1 A 56 56 PRO CB C 34 32.490 32.074 0.416 1
1 386 . 14 1 1 A 57 57 THR H H 35 7.810 7.792 0.018 1
1 387 . 14 1 1 A 57 57 THR HA H 35 4.630 4.814 -0.184 1
1 392 . 14 1 1 A 57 57 THR C C 35 174.080 173.742 0.338 1
1 393 . 14 1 1 A 57 57 THR CA C 35 61.860 61.371 0.489 1
1 394 . 14 1 1 A 57 57 THR CB C 35 70.940 70.106 0.834 1
1 396 . 14 1 1 A 57 57 THR N N 35 101.710 110.814 -9.104 1
1 397 . 14 1 1 A 58 58 PHE H H 36 7.670 7.620 0.050 1
1 398 . 14 1 1 A 58 58 PHE HA H 36 5.780 4.733 1.047 1
1 405 . 14 1 1 A 58 58 PHE CA C 36 57.820 58.175 -0.355 1
1 406 . 14 1 1 A 58 58 PHE CB C 36 43.010 42.279 0.731 1
1 409 . 14 1 1 A 58 58 PHE N N 36 124.370 120.849 3.521 1
1 410 . 14 1 1 A 59 59 SER H H 37 8.070 7.636 0.434 1
1 411 . 14 1 1 A 59 59 SER HA H 37 4.890 4.910 -0.020 1
1 414 . 14 1 1 A 59 59 SER C C 37 170.010 171.744 -1.734 1
1 415 . 14 1 1 A 59 59 SER CA C 37 56.660 56.591 0.069 1
1 416 . 14 1 1 A 59 59 SER CB C 37 67.490 65.429 2.061 1
1 417 . 14 1 1 A 59 59 SER N N 37 122.930 119.966 2.964 1
1 418 . 14 1 1 A 60 60 LEU H H 38 8.140 8.481 -0.341 1
1 419 . 14 1 1 A 60 60 LEU HA H 38 4.810 4.386 0.424 1
1 429 . 14 1 1 A 60 60 LEU C C 38 174.000 174.576 -0.576 1
1 430 . 14 1 1 A 60 60 LEU CA C 38 53.750 53.951 -0.201 1
1 431 . 14 1 1 A 60 60 LEU CB C 38 47.250 45.720 1.530 1
1 435 . 14 1 1 A 60 60 LEU N N 38 122.030 125.738 -3.708 1
1 436 . 14 1 1 A 61 61 PHE H H 39 9.460 8.127 1.333 1
1 437 . 14 1 1 A 61 61 PHE HA H 39 4.580 5.525 -0.945 1
1 444 . 14 1 1 A 61 61 PHE C C 39 174.390 173.634 0.756 1
1 445 . 14 1 1 A 61 61 PHE CA C 39 57.180 55.369 1.811 1
1 446 . 14 1 1 A 61 61 PHE CB C 39 41.570 41.825 -0.255 1
1 449 . 14 1 1 A 61 61 PHE N N 39 124.820 124.237 0.583 1
1 450 . 14 1 1 A 62 62 VAL H H 40 8.640 9.007 -0.367 1
1 451 . 14 1 1 A 62 62 VAL HA H 40 4.260 4.458 -0.198 1
1 459 . 14 1 1 A 62 62 VAL C C 40 175.380 175.537 -0.157 1
1 460 . 14 1 1 A 62 62 VAL CA C 40 62.520 62.072 0.448 1
1 461 . 14 1 1 A 62 62 VAL CB C 40 32.470 32.383 0.087 1
1 464 . 14 1 1 A 62 62 VAL N N 40 122.650 124.748 -2.098 1
1 465 . 14 1 1 A 63 63 LEU H H 41 8.710 8.722 -0.012 1
1 466 . 14 1 1 A 63 63 LEU HA H 41 4.590 4.754 -0.164 1
1 476 . 14 1 1 A 63 63 LEU CA C 41 53.560 53.663 -0.103 1
1 477 . 14 1 1 A 63 63 LEU CB C 41 41.600 42.891 -1.291 1
1 481 . 14 1 1 A 63 63 LEU N N 41 126.170 128.228 -2.058 1
1 482 . 14 1 1 A 64 64 ALA HA H 42 4.040 4.120 -0.080 1
1 486 . 14 1 1 A 64 64 ALA CA C 42 55.050 54.344 0.706 1
1 487 . 14 1 1 A 64 64 ALA CB C 42 18.580 18.585 -0.005 1
1 488 . 14 1 1 A 65 65 ASN H H 43 7.680 7.911 -0.231 1
1 489 . 14 1 1 A 65 65 ASN HA H 43 4.520 4.711 -0.191 1
1 494 . 14 1 1 A 65 65 ASN C C 43 175.860 175.761 0.099 1
1 495 . 14 1 1 A 65 65 ASN CA C 43 52.530 53.304 -0.774 1
1 496 . 14 1 1 A 65 65 ASN CB C 43 37.800 38.626 -0.826 1
1 497 . 14 1 1 A 65 65 ASN N N 43 112.130 114.923 -2.793 1
1 499 . 14 1 1 A 66 66 GLY H H 44 8.070 8.603 -0.533 1
1 500 . 14 1 1 A 66 66 GLY HA2 H 44 4.330 3.906 0.424 1
1 501 . 14 1 1 A 66 66 GLY HA3 H 44 3.480 3.909 -0.429 1
1 502 . 14 1 1 A 66 66 GLY C C 44 174.260 173.728 0.532 1
1 503 . 14 1 1 A 66 66 GLY CA C 44 44.930 45.576 -0.646 1
1 504 . 14 1 1 A 66 66 GLY N N 44 107.650 108.340 -0.690 1
1 505 . 14 1 1 A 67 67 MET H H 45 7.900 7.685 0.215 1
1 506 . 14 1 1 A 67 67 MET HA H 45 4.420 5.093 -0.673 1
1 514 . 14 1 1 A 67 67 MET CA C 45 55.520 53.430 2.090 1
1 515 . 14 1 1 A 67 67 MET CB C 45 33.630 36.438 -2.808 1
1 518 . 14 1 1 A 67 67 MET N N 45 121.850 115.767 6.083 1
1 519 . 14 1 1 A 68 68 LYS HA H 46 5.040 5.153 -0.113 1
1 528 . 14 1 1 A 68 68 LYS C C 46 174.600 174.011 0.589 1
1 529 . 14 1 1 A 68 68 LYS CA C 46 55.410 54.769 0.641 1
1 530 . 14 1 1 A 68 68 LYS CB C 46 34.460 35.897 -1.437 1
1 534 . 14 1 1 A 69 69 LEU H H 47 8.830 8.621 0.209 1
1 535 . 14 1 1 A 69 69 LEU HA H 47 5.450 5.454 -0.004 1
1 545 . 14 1 1 A 69 69 LEU C C 47 174.880 175.235 -0.355 1
1 546 . 14 1 1 A 69 69 LEU CA C 47 52.980 53.368 -0.388 1
1 547 . 14 1 1 A 69 69 LEU CB C 47 46.560 45.320 1.240 1
1 551 . 14 1 1 A 69 69 LEU N N 47 124.960 126.921 -1.961 1
1 552 . 14 1 1 A 70 70 GLY H H 48 9.580 9.379 0.201 1
1 553 . 14 1 1 A 70 70 GLY HA2 H 48 5.220 3.872 1.348 1
1 554 . 14 1 1 A 70 70 GLY HA3 H 48 3.090 4.199 -1.109 1
1 555 . 14 1 1 A 70 70 GLY C C 48 170.590 171.678 -1.088 1
1 556 . 14 1 1 A 70 70 GLY CA C 48 43.370 44.071 -0.701 1
1 557 . 14 1 1 A 70 70 GLY N N 48 113.940 114.004 -0.064 1
1 558 . 14 1 1 A 71 71 LEU H H 49 8.250 7.997 0.253 1
1 559 . 14 1 1 A 71 71 LEU HA H 49 5.150 4.929 0.221 1
1 569 . 14 1 1 A 71 71 LEU C C 49 173.920 173.816 0.104 1
1 570 . 14 1 1 A 71 71 LEU CA C 49 52.770 53.963 -1.193 1
1 571 . 14 1 1 A 71 71 LEU CB C 49 43.100 44.753 -1.653 1
1 575 . 14 1 1 A 71 71 LEU N N 49 122.270 121.617 0.653 1
1 576 . 14 1 1 A 72 72 TRP H H 50 8.960 8.810 0.150 1
1 577 . 14 1 1 A 72 72 TRP HA H 50 5.860 5.527 0.333 1
1 584 . 14 1 1 A 72 72 TRP C C 50 175.740 175.655 0.085 1
1 585 . 14 1 1 A 72 72 TRP CA C 50 53.170 55.415 -2.245 1
1 586 . 14 1 1 A 72 72 TRP CB C 50 34.990 32.516 2.474 1
1 590 . 14 1 1 A 72 72 TRP N N 50 125.010 130.102 -5.092 1
1 592 . 14 1 1 A 73 73 SER H H 51 9.010 9.270 -0.260 1
1 593 . 14 1 1 A 73 73 SER HA H 51 4.570 4.856 -0.286 1
1 596 . 14 1 1 A 73 73 SER C C 51 176.240 175.878 0.362 1
1 597 . 14 1 1 A 73 73 SER CA C 51 58.490 59.680 -1.190 1
1 598 . 14 1 1 A 73 73 SER CB C 51 63.770 63.372 0.398 1
1 599 . 14 1 1 A 73 73 SER N N 51 120.380 123.192 -2.812 1
1 600 . 14 1 1 A 74 74 ARG H H 52 9.420 8.847 0.573 1
1 601 . 14 1 1 A 74 74 ARG HA H 52 3.460 3.899 -0.439 1
1 608 . 14 1 1 A 74 74 ARG C C 52 175.610 176.580 -0.970 1
1 609 . 14 1 1 A 74 74 ARG CA C 52 57.590 58.021 -0.431 1
1 610 . 14 1 1 A 74 74 ARG CB C 52 28.900 29.591 -0.691 1
1 613 . 14 1 1 A 74 74 ARG N N 52 128.770 125.027 3.743 1
1 614 . 14 1 1 A 75 75 HIS H H 53 7.910 7.987 -0.077 1
1 615 . 14 1 1 A 75 75 HIS HA H 53 4.310 4.518 -0.208 1
1 619 . 14 1 1 A 75 75 HIS C C 53 176.610 175.414 1.196 1
1 620 . 14 1 1 A 75 75 HIS CA C 53 57.190 56.985 0.205 1
1 621 . 14 1 1 A 75 75 HIS CB C 53 31.260 29.766 1.494 1
1 623 . 14 1 1 A 75 75 HIS N N 53 117.320 116.918 0.402 1
1 624 . 14 1 1 A 76 76 THR H H 54 7.360 7.692 -0.332 1
1 625 . 14 1 1 A 76 76 THR HA H 54 4.540 4.532 0.008 1
1 630 . 14 1 1 A 76 76 THR C C 54 175.120 173.925 1.195 1
1 631 . 14 1 1 A 76 76 THR CA C 54 61.840 61.208 0.632 1
1 632 . 14 1 1 A 76 76 THR CB C 54 69.680 70.308 -0.628 1
1 634 . 14 1 1 A 76 76 THR N N 54 107.350 114.028 -6.678 1
1 635 . 14 1 1 A 77 77 VAL H H 55 6.630 7.235 -0.605 1
1 636 . 14 1 1 A 77 77 VAL HA H 55 2.700 3.122 -0.422 1
1 644 . 14 1 1 A 77 77 VAL C C 55 173.920 174.795 -0.875 1
1 645 . 14 1 1 A 77 77 VAL CA C 55 63.500 61.945 1.555 1
1 646 . 14 1 1 A 77 77 VAL CB C 55 31.270 31.820 -0.550 1
1 649 . 14 1 1 A 77 77 VAL N N 55 123.760 122.335 1.425 1
1 650 . 14 1 1 A 78 78 GLU H H 56 6.010 8.123 -2.113 1
1 651 . 14 1 1 A 78 78 GLU HA H 56 4.160 4.758 -0.598 1
1 656 . 14 1 1 A 78 78 GLU CA C 56 53.120 52.953 0.167 1
1 657 . 14 1 1 A 78 78 GLU CB C 56 32.240 31.482 0.758 1
1 659 . 14 1 1 A 78 78 GLU N N 56 124.820 127.394 -2.574 1
1 660 . 14 1 1 A 79 79 PRO HA H 57 4.620 4.487 0.133 1
1 667 . 14 1 1 A 79 79 PRO C C 57 176.190 176.200 -0.010 1
1 668 . 14 1 1 A 79 79 PRO CA C 57 61.890 62.464 -0.574 1
1 669 . 14 1 1 A 79 79 PRO CB C 57 33.620 32.194 1.426 1
1 672 . 14 1 1 A 80 80 LYS H H 58 8.340 8.254 0.086 1
1 673 . 14 1 1 A 80 80 LYS HA H 58 3.880 4.384 -0.504 1
1 682 . 14 1 1 A 80 80 LYS C C 58 177.100 174.952 2.148 1
1 683 . 14 1 1 A 80 80 LYS CA C 58 57.610 56.752 0.858 1
1 684 . 14 1 1 A 80 80 LYS CB C 58 32.400 32.719 -0.319 1
1 688 . 14 1 1 A 80 80 LYS N N 58 121.510 121.646 -0.136 1
1 689 . 14 1 1 A 81 81 ALA H H 59 8.430 8.407 0.023 1
1 690 . 14 1 1 A 81 81 ALA HA H 59 4.870 4.830 0.040 1
1 694 . 14 1 1 A 81 81 ALA C C 59 177.460 175.324 2.136 1
1 695 . 14 1 1 A 81 81 ALA CA C 59 51.020 51.431 -0.411 1
1 696 . 14 1 1 A 81 81 ALA CB C 59 22.910 20.464 2.446 1
1 697 . 14 1 1 A 81 81 ALA N N 59 129.030 129.124 -0.094 1
1 698 . 14 1 1 A 82 82 SER H H 60 9.680 8.896 0.784 1
1 699 . 14 1 1 A 82 82 SER HA H 60 4.510 4.631 -0.121 1
1 702 . 14 1 1 A 82 82 SER C C 60 172.960 173.296 -0.336 1
1 703 . 14 1 1 A 82 82 SER CA C 60 58.350 57.153 1.197 1
1 704 . 14 1 1 A 82 82 SER CB C 60 65.150 62.441 2.709 1
1 705 . 14 1 1 A 82 82 SER N N 60 115.930 120.486 -4.556 1
1 706 . 14 1 1 A 83 83 VAL H H 61 7.450 8.547 -1.097 1
1 707 . 14 1 1 A 83 83 VAL HA H 61 4.260 4.880 -0.620 1
1 715 . 14 1 1 A 83 83 VAL CA C 61 60.940 59.889 1.051 1
1 716 . 14 1 1 A 83 83 VAL CB C 61 35.360 35.659 -0.299 1
1 719 . 14 1 1 A 83 83 VAL N N 61 121.550 127.041 -5.491 1
1 720 . 14 1 1 A 84 84 THR H H 62 7.850 8.867 -1.017 1
1 721 . 14 1 1 A 84 84 THR HA H 62 4.750 5.156 -0.406 1
1 726 . 14 1 1 A 84 84 THR C C 62 174.040 173.065 0.975 1
1 727 . 14 1 1 A 84 84 THR CA C 62 59.370 60.169 -0.799 1
1 728 . 14 1 1 A 84 84 THR CB C 62 68.800 71.332 -2.532 1
1 730 . 14 1 1 A 84 84 THR N N 62 111.040 118.023 -6.983 1
1 731 . 14 1 1 A 85 85 GLY H H 63 7.950 7.922 0.028 1
1 732 . 14 1 1 A 85 85 GLY HA2 H 63 3.480 4.088 -0.608 1
1 733 . 14 1 1 A 85 85 GLY HA3 H 63 2.950 4.108 -1.158 1
1 734 . 14 1 1 A 85 85 GLY C C 63 174.140 173.403 0.737 1
1 735 . 14 1 1 A 85 85 GLY CA C 63 45.490 45.844 -0.354 1
1 736 . 14 1 1 A 85 85 GLY N N 63 109.700 108.598 1.102 1
1 737 . 14 1 1 A 86 86 GLY H H 64 8.530 8.450 0.080 1
1 738 . 14 1 1 A 86 86 GLY HA2 H 64 4.550 3.920 0.630 1
1 739 . 14 1 1 A 86 86 GLY HA3 H 64 3.700 3.923 -0.223 1
1 740 . 14 1 1 A 86 86 GLY C C 64 174.700 174.184 0.516 1
1 741 . 14 1 1 A 86 86 GLY CA C 64 45.600 46.968 -1.368 1
1 742 . 14 1 1 A 86 86 GLY N N 64 107.420 113.579 -6.159 1
1 743 . 14 1 1 A 87 87 GLY H H 65 9.280 8.260 1.020 1
1 744 . 14 1 1 A 87 87 GLY HA2 H 65 4.860 4.174 0.686 1
1 745 . 14 1 1 A 87 87 GLY HA3 H 65 4.160 4.224 -0.064 1
1 746 . 14 1 1 A 87 87 GLY C C 65 172.640 173.732 -1.092 1
1 747 . 14 1 1 A 87 87 GLY CA C 65 45.630 44.669 0.961 1
1 748 . 14 1 1 A 87 87 GLY N N 65 111.380 108.854 2.526 1
1 749 . 14 1 1 A 88 88 GLY H H 66 6.610 8.441 -1.831 1
1 750 . 14 1 1 A 88 88 GLY HA2 H 66 4.020 4.048 -0.028 1
1 751 . 14 1 1 A 88 88 GLY HA3 H 66 2.360 4.063 -1.703 1
1 752 . 14 1 1 A 88 88 GLY C C 66 172.250 172.880 -0.630 1
1 753 . 14 1 1 A 88 88 GLY CA C 66 43.910 45.004 -1.094 1
1 754 . 14 1 1 A 88 88 GLY N N 66 105.700 107.338 -1.638 1
1 755 . 14 1 1 A 89 89 GLU H H 67 9.230 8.500 0.730 1
1 756 . 14 1 1 A 89 89 GLU HA H 67 5.100 5.339 -0.239 1
1 761 . 14 1 1 A 89 89 GLU C C 67 175.770 175.012 0.758 1
1 762 . 14 1 1 A 89 89 GLU CA C 67 54.540 55.441 -0.901 1
1 763 . 14 1 1 A 89 89 GLU CB C 67 34.710 31.766 2.944 1
1 765 . 14 1 1 A 89 89 GLU N N 67 117.210 118.384 -1.174 1
1 766 . 14 1 1 A 90 90 LEU H H 68 8.470 9.083 -0.613 1
1 767 . 14 1 1 A 90 90 LEU HA H 68 5.050 5.033 0.017 1
1 777 . 14 1 1 A 90 90 LEU C C 68 175.460 174.884 0.576 1
1 778 . 14 1 1 A 90 90 LEU CA C 68 54.160 53.789 0.371 1
1 779 . 14 1 1 A 90 90 LEU CB C 68 44.250 44.483 -0.233 1
1 783 . 14 1 1 A 90 90 LEU N N 68 120.420 125.426 -5.006 1
1 784 . 14 1 1 A 91 91 ALA H H 69 8.880 8.931 -0.051 1
1 785 . 14 1 1 A 91 91 ALA HA H 69 5.990 5.009 0.981 1
1 789 . 14 1 1 A 91 91 ALA C C 69 175.300 176.679 -1.379 1
1 790 . 14 1 1 A 91 91 ALA CA C 69 50.340 50.546 -0.206 1
1 791 . 14 1 1 A 91 91 ALA CB C 69 21.140 20.029 1.111 1
1 792 . 14 1 1 A 91 91 ALA N N 69 124.720 130.803 -6.083 1
1 793 . 14 1 1 A 92 92 PHE H H 70 10.090 9.666 0.424 1
1 794 . 14 1 1 A 92 92 PHE HA H 70 4.700 5.165 -0.465 1
1 802 . 14 1 1 A 92 92 PHE CA C 70 56.580 57.236 -0.656 1
1 803 . 14 1 1 A 92 92 PHE CB C 70 40.490 40.594 -0.104 1
1 807 . 14 1 1 A 92 92 PHE N N 70 122.920 123.903 -0.983 1
1 808 . 14 1 1 A 93 93 ARG H H 71 9.030 9.089 -0.059 1
1 809 . 14 1 1 A 93 93 ARG HA H 71 4.460 4.699 -0.239 1
1 816 . 14 1 1 A 93 93 ARG C C 71 176.910 175.788 1.122 1
1 817 . 14 1 1 A 93 93 ARG CA C 71 55.080 55.897 -0.817 1
1 818 . 14 1 1 A 93 93 ARG CB C 71 31.950 31.655 0.295 1
1 821 . 14 1 1 A 93 93 ARG N N 71 125.390 124.187 1.203 1
1 822 . 14 1 1 A 94 94 VAL H H 72 8.470 8.175 0.295 1
1 823 . 14 1 1 A 94 94 VAL HA H 72 4.820 4.754 0.066 1
1 831 . 14 1 1 A 94 94 VAL C C 72 176.320 175.982 0.338 1
1 832 . 14 1 1 A 94 94 VAL CA C 72 59.190 58.920 0.270 1
1 833 . 14 1 1 A 94 94 VAL CB C 72 32.550 34.843 -2.293 1
1 836 . 14 1 1 A 94 94 VAL N N 72 119.430 119.652 -0.222 1
1 837 . 14 1 1 A 95 95 GLU H H 73 8.160 8.873 -0.713 1
1 838 . 14 1 1 A 95 95 GLU HA H 73 3.940 4.169 -0.229 1
1 843 . 14 1 1 A 95 95 GLU C C 73 176.560 176.429 0.131 1
1 844 . 14 1 1 A 95 95 GLU CA C 73 59.620 58.265 1.355 1
1 845 . 14 1 1 A 95 95 GLU CB C 73 31.400 29.586 1.814 1
1 847 . 14 1 1 A 95 95 GLU N N 73 116.510 120.617 -4.107 1
1 848 . 14 1 1 A 96 96 ASN H H 74 7.240 7.769 -0.529 1
1 849 . 14 1 1 A 96 96 ASN HA H 74 4.780 4.977 -0.197 1
1 854 . 14 1 1 A 96 96 ASN C C 74 174.960 174.641 0.319 1
1 855 . 14 1 1 A 96 96 ASN CA C 74 51.570 52.597 -1.027 1
1 856 . 14 1 1 A 96 96 ASN CB C 74 40.130 39.367 0.763 1
1 857 . 14 1 1 A 96 96 ASN N N 74 108.930 114.098 -5.168 1
1 859 . 14 1 1 A 97 97 ASP H H 75 8.330 9.066 -0.736 1
1 860 . 14 1 1 A 97 97 ASP HA H 75 4.190 4.451 -0.261 1
1 863 . 14 1 1 A 97 97 ASP C C 75 177.800 178.496 -0.696 1
1 864 . 14 1 1 A 97 97 ASP CA C 75 57.780 56.739 1.041 1
1 865 . 14 1 1 A 97 97 ASP CB C 75 39.230 39.613 -0.383 1
1 866 . 14 1 1 A 97 97 ASP N N 75 120.390 118.251 2.139 1
1 867 . 14 1 1 A 98 98 ALA H H 76 8.090 8.010 0.080 1
1 868 . 14 1 1 A 98 98 ALA HA H 76 4.210 3.923 0.287 1
1 872 . 14 1 1 A 98 98 ALA C C 76 181.130 179.933 1.197 1
1 873 . 14 1 1 A 98 98 ALA CA C 76 55.160 55.249 -0.089 1
1 874 . 14 1 1 A 98 98 ALA CB C 76 17.440 18.031 -0.591 1
1 875 . 14 1 1 A 98 98 ALA N N 76 122.660 121.967 0.693 1
1 876 . 14 1 1 A 99 99 GLN H H 77 8.110 7.698 0.412 1
1 877 . 14 1 1 A 99 99 GLN HA H 77 4.170 4.017 0.153 1
1 884 . 14 1 1 A 99 99 GLN C C 77 180.190 178.643 1.547 1
1 885 . 14 1 1 A 99 99 GLN CA C 77 58.680 58.561 0.119 1
1 886 . 14 1 1 A 99 99 GLN CB C 77 28.590 28.484 0.106 1
1 888 . 14 1 1 A 99 99 GLN N N 77 116.870 117.949 -1.079 1
1 890 . 14 1 1 A 100 100 VAL H H 78 7.860 7.665 0.195 1
1 891 . 14 1 1 A 100 100 VAL HA H 78 3.400 3.557 -0.157 1
1 899 . 14 1 1 A 100 100 VAL C C 78 177.510 178.015 -0.505 1
1 900 . 14 1 1 A 100 100 VAL CA C 78 67.800 66.294 1.506 1
1 901 . 14 1 1 A 100 100 VAL CB C 78 30.810 31.937 -1.127 1
1 904 . 14 1 1 A 100 100 VAL N N 78 125.200 120.861 4.339 1
1 905 . 14 1 1 A 101 101 ASP H H 79 7.810 7.747 0.063 1
1 906 . 14 1 1 A 101 101 ASP HA H 79 4.420 4.172 0.248 1
1 909 . 14 1 1 A 101 101 ASP C C 79 175.010 178.393 -3.383 1
1 910 . 14 1 1 A 101 101 ASP CA C 79 58.490 56.991 1.499 1
1 911 . 14 1 1 A 101 101 ASP CB C 79 40.400 40.595 -0.195 1
1 912 . 14 1 1 A 101 101 ASP N N 79 119.560 120.187 -0.627 1
1 913 . 14 1 1 A 102 102 GLU H H 80 8.620 8.191 0.429 1
1 914 . 14 1 1 A 102 102 GLU HA H 80 4.080 3.995 0.085 1
1 919 . 14 1 1 A 102 102 GLU C C 80 179.540 179.676 -0.136 1
1 920 . 14 1 1 A 102 102 GLU CA C 80 59.470 59.361 0.109 1
1 921 . 14 1 1 A 102 102 GLU CB C 80 30.210 29.334 0.876 1
1 923 . 14 1 1 A 102 102 GLU N N 80 121.400 118.822 2.578 1
1 924 . 14 1 1 A 103 103 THR H H 81 8.120 7.516 0.604 1
1 925 . 14 1 1 A 103 103 THR HA H 81 3.660 3.662 -0.002 1
1 930 . 14 1 1 A 103 103 THR C C 81 174.440 175.951 -1.511 1
1 931 . 14 1 1 A 103 103 THR CA C 81 66.990 65.920 1.070 1
1 932 . 14 1 1 A 103 103 THR CB C 81 68.070 68.121 -0.051 1
1 934 . 14 1 1 A 103 103 THR N N 81 118.770 117.980 0.790 1
1 935 . 14 1 1 A 104 104 PHE H H 82 8.340 7.915 0.425 1
1 936 . 14 1 1 A 104 104 PHE HA H 82 3.030 3.468 -0.438 1
1 943 . 14 1 1 A 104 104 PHE C C 82 176.050 176.787 -0.737 1
1 944 . 14 1 1 A 104 104 PHE CA C 82 61.480 61.893 -0.413 1
1 945 . 14 1 1 A 104 104 PHE CB C 82 38.550 38.664 -0.114 1
1 948 . 14 1 1 A 104 104 PHE N N 82 122.350 121.396 0.954 1
1 949 . 14 1 1 A 105 105 ALA H H 83 7.780 8.351 -0.571 1
1 950 . 14 1 1 A 105 105 ALA HA H 83 3.680 4.104 -0.424 1
1 954 . 14 1 1 A 105 105 ALA C C 83 181.410 179.889 1.521 1
1 955 . 14 1 1 A 105 105 ALA CA C 83 54.880 55.030 -0.150 1
1 956 . 14 1 1 A 105 105 ALA CB C 83 18.080 18.388 -0.308 1
1 957 . 14 1 1 A 105 105 ALA N N 83 118.740 121.104 -2.364 1
1 958 . 14 1 1 A 106 106 GLY H H 84 8.120 7.942 0.178 1
1 959 . 14 1 1 A 106 106 GLY HA2 H 84 3.910 3.512 0.398 1
1 960 . 14 1 1 A 106 106 GLY HA3 H 84 3.810 3.552 0.258 1
1 961 . 14 1 1 A 106 106 GLY C C 84 176.780 177.214 -0.434 1
1 962 . 14 1 1 A 106 106 GLY CA C 84 46.910 46.961 -0.051 1
1 963 . 14 1 1 A 106 106 GLY N N 84 107.090 105.013 2.077 1
1 964 . 14 1 1 A 107 107 TRP H H 85 9.240 7.683 1.557 1
1 965 . 14 1 1 A 107 107 TRP HA H 85 4.440 4.610 -0.170 1
1 972 . 14 1 1 A 107 107 TRP C C 85 179.210 178.479 0.731 1
1 973 . 14 1 1 A 107 107 TRP CA C 85 59.190 60.542 -1.352 1
1 974 . 14 1 1 A 107 107 TRP CB C 85 28.450 29.061 -0.611 1
1 978 . 14 1 1 A 107 107 TRP N N 85 124.820 122.114 2.706 1
1 980 . 14 1 1 A 108 108 LYS H H 86 8.610 8.268 0.342 1
1 981 . 14 1 1 A 108 108 LYS HA H 86 3.920 3.892 0.028 1
1 990 . 14 1 1 A 108 108 LYS C C 86 180.980 179.001 1.979 1
1 991 . 14 1 1 A 108 108 LYS CA C 86 60.040 59.386 0.654 1
1 992 . 14 1 1 A 108 108 LYS CB C 86 31.850 32.292 -0.442 1
1 996 . 14 1 1 A 108 108 LYS N N 86 121.490 121.137 0.353 1
1 997 . 14 1 1 A 109 109 ALA H H 87 7.890 7.889 0.001 1
1 998 . 14 1 1 A 109 109 ALA HA H 87 4.150 4.201 -0.051 1
1 1002 . 14 1 1 A 109 109 ALA C C 87 179.050 178.409 0.641 1
1 1003 . 14 1 1 A 109 109 ALA CA C 87 54.670 54.117 0.553 1
1 1004 . 14 1 1 A 109 109 ALA CB C 87 18.010 18.332 -0.322 1
1 1005 . 14 1 1 A 109 109 ALA N N 87 121.920 121.648 0.272 1
1 1006 . 14 1 1 A 110 110 SER H H 88 7.510 7.526 -0.016 1
1 1007 . 14 1 1 A 110 110 SER HA H 88 4.450 4.662 -0.212 1
1 1010 . 14 1 1 A 110 110 SER C C 88 174.140 174.561 -0.421 1
1 1011 . 14 1 1 A 110 110 SER CA C 88 58.750 58.111 0.639 1
1 1012 . 14 1 1 A 110 110 SER CB C 88 63.950 63.360 0.590 1
1 1013 . 14 1 1 A 110 110 SER N N 88 112.390 111.761 0.629 1
1 1014 . 14 1 1 A 111 111 GLY H H 89 7.790 7.737 0.053 1
1 1015 . 14 1 1 A 111 111 GLY HA2 H 89 4.180 3.992 0.188 1
1 1016 . 14 1 1 A 111 111 GLY HA3 H 89 3.700 4.021 -0.321 1
1 1017 . 14 1 1 A 111 111 GLY C C 89 174.520 174.789 -0.269 1
1 1018 . 14 1 1 A 111 111 GLY CA C 89 45.530 46.672 -1.142 1
1 1019 . 14 1 1 A 111 111 GLY N N 89 108.220 110.329 -2.109 1
1 1020 . 14 1 1 A 112 112 VAL H H 90 7.660 7.882 -0.222 1
1 1021 . 14 1 1 A 112 112 VAL HA H 90 3.830 4.313 -0.483 1
1 1029 . 14 1 1 A 112 112 VAL C C 90 175.430 176.452 -1.022 1
1 1030 . 14 1 1 A 112 112 VAL CA C 90 63.880 61.398 2.482 1
1 1031 . 14 1 1 A 112 112 VAL CB C 90 32.040 33.048 -1.008 1
1 1034 . 14 1 1 A 112 112 VAL N N 90 122.880 119.945 2.935 1
1 1035 . 14 1 1 A 113 113 ALA H H 91 8.720 8.411 0.309 1
1 1036 . 14 1 1 A 113 113 ALA HA H 91 4.210 4.043 0.167 1
1 1040 . 14 1 1 A 113 113 ALA C C 91 176.290 177.645 -1.355 1
1 1041 . 14 1 1 A 113 113 ALA CA C 91 52.900 55.094 -2.194 1
1 1042 . 14 1 1 A 113 113 ALA CB C 91 19.290 18.937 0.353 1
1 1043 . 14 1 1 A 113 113 ALA N N 91 132.080 129.598 2.482 1
1 1044 . 14 1 1 A 114 114 MET H H 92 8.260 7.681 0.579 1
1 1045 . 14 1 1 A 114 114 MET HA H 92 5.330 4.144 1.186 1
1 1051 . 14 1 1 A 114 114 MET C C 92 176.780 176.128 0.652 1
1 1052 . 14 1 1 A 114 114 MET CA C 92 53.390 56.211 -2.821 1
1 1053 . 14 1 1 A 114 114 MET CB C 92 33.450 31.081 2.369 1
1 1055 . 14 1 1 A 114 114 MET N N 92 116.930 116.653 0.277 1
1 1056 . 14 1 1 A 115 115 LEU H H 93 8.990 8.140 0.850 1
1 1057 . 14 1 1 A 115 115 LEU HA H 93 4.550 5.005 -0.455 1
1 1067 . 14 1 1 A 115 115 LEU C C 93 176.630 175.610 1.020 1
1 1068 . 14 1 1 A 115 115 LEU CA C 93 55.140 53.659 1.481 1
1 1069 . 14 1 1 A 115 115 LEU CB C 93 44.810 42.561 2.249 1
1 1073 . 14 1 1 A 115 115 LEU N N 93 122.250 116.774 5.476 1
1 1074 . 14 1 1 A 116 116 GLN H H 94 8.280 8.241 0.039 1
1 1075 . 14 1 1 A 116 116 GLN HA H 94 4.700 4.637 0.063 1
1 1080 . 14 1 1 A 116 116 GLN C C 94 174.860 174.166 0.694 1
1 1081 . 14 1 1 A 116 116 GLN CA C 94 55.600 55.744 -0.144 1
1 1082 . 14 1 1 A 116 116 GLN CB C 94 33.510 32.348 1.162 1
1 1083 . 14 1 1 A 116 116 GLN N N 94 121.140 123.188 -2.048 1
1 1085 . 14 1 1 A 117 117 GLN H H 95 8.490 8.661 -0.171 1
1 1086 . 14 1 1 A 117 117 GLN HA H 95 4.080 4.684 -0.604 1
1 1093 . 14 1 1 A 117 117 GLN CA C 95 54.860 53.710 1.150 1
1 1094 . 14 1 1 A 117 117 GLN CB C 95 26.550 28.804 -2.254 1
1 1096 . 14 1 1 A 117 117 GLN N N 95 125.610 126.036 -0.426 1
1 1098 . 14 1 1 A 118 118 PRO HA H 96 4.410 4.927 -0.517 1
1 1103 . 14 1 1 A 118 118 PRO C C 96 176.290 175.683 0.607 1
1 1104 . 14 1 1 A 118 118 PRO CA C 96 64.130 62.918 1.212 1
1 1105 . 14 1 1 A 118 118 PRO CB C 96 30.550 31.793 -1.243 1
1 1107 . 14 1 1 A 119 119 ALA H H 97 8.980 8.054 0.926 1
1 1108 . 14 1 1 A 119 119 ALA HA H 97 4.550 4.899 -0.349 1
1 1112 . 14 1 1 A 119 119 ALA C C 97 175.820 176.096 -0.276 1
1 1113 . 14 1 1 A 119 119 ALA CA C 97 51.100 50.416 0.684 1
1 1114 . 14 1 1 A 119 119 ALA CB C 97 22.150 23.366 -1.216 1
1 1115 . 14 1 1 A 119 119 ALA N N 97 126.580 125.834 0.746 1
1 1116 . 14 1 1 A 120 120 LYS H H 98 8.710 8.530 0.180 1
1 1117 . 14 1 1 A 120 120 LYS HA H 98 4.450 4.607 -0.157 1
1 1126 . 14 1 1 A 120 120 LYS C C 98 175.950 175.950 0.000 1
1 1127 . 14 1 1 A 120 120 LYS CA C 98 56.360 57.206 -0.846 1
1 1128 . 14 1 1 A 120 120 LYS CB C 98 32.090 32.901 -0.811 1
1 1132 . 14 1 1 A 120 120 LYS N N 98 121.330 121.533 -0.203 1
1 1133 . 14 1 1 A 121 121 MET H H 99 8.130 8.390 -0.260 1
1 1138 . 14 1 1 A 121 121 MET N N 99 125.590 122.340 3.250 1
1 1139 . 14 1 1 A 122 122 GLU HA H 100 3.890 3.781 0.109 1
1 1144 . 14 1 1 A 122 122 GLU C C 100 176.450 177.886 -1.436 1
1 1145 . 14 1 1 A 122 122 GLU CA C 100 59.740 59.171 0.569 1
1 1146 . 14 1 1 A 122 122 GLU CB C 100 29.200 28.857 0.343 1
1 1148 . 14 1 1 A 123 123 PHE H H 101 6.120 7.520 -1.400 1
1 1149 . 14 1 1 A 123 123 PHE HA H 101 4.430 4.595 -0.165 1
1 1152 . 14 1 1 A 123 123 PHE C C 101 173.950 175.902 -1.952 1
1 1153 . 14 1 1 A 123 123 PHE CA C 101 54.750 58.139 -3.389 1
1 1154 . 14 1 1 A 123 123 PHE CB C 101 38.630 39.289 -0.659 1
1 1155 . 14 1 1 A 123 123 PHE N N 101 108.900 115.366 -6.466 1
1 1156 . 14 1 1 A 124 124 GLY H H 102 6.670 7.398 -0.728 1
1 1157 . 14 1 1 A 124 124 GLY HA2 H 102 4.780 4.070 0.710 1
1 1158 . 14 1 1 A 124 124 GLY HA3 H 102 3.770 4.140 -0.370 1
1 1159 . 14 1 1 A 124 124 GLY C C 102 170.410 172.665 -2.255 1
1 1160 . 14 1 1 A 124 124 GLY CA C 102 44.570 43.993 0.577 1
1 1161 . 14 1 1 A 124 124 GLY N N 102 108.900 106.923 1.977 1
1 1162 . 14 1 1 A 125 125 TYR H H 103 8.210 8.453 -0.243 1
1 1163 . 14 1 1 A 125 125 TYR HA H 103 5.080 4.870 0.210 1
1 1170 . 14 1 1 A 125 125 TYR C C 103 175.980 174.247 1.733 1
1 1171 . 14 1 1 A 125 125 TYR CA C 103 56.530 56.821 -0.291 1
1 1172 . 14 1 1 A 125 125 TYR CB C 103 40.180 39.061 1.119 1
1 1175 . 14 1 1 A 125 125 TYR N N 103 123.360 122.430 0.930 1
1 1176 . 14 1 1 A 126 126 THR H H 104 8.450 8.771 -0.321 1
1 1177 . 14 1 1 A 126 126 THR HA H 104 5.630 5.341 0.289 1
1 1182 . 14 1 1 A 126 126 THR C C 104 170.010 172.512 -2.502 1
1 1183 . 14 1 1 A 126 126 THR CA C 104 58.490 60.063 -1.573 1
1 1184 . 14 1 1 A 126 126 THR CB C 104 72.110 71.956 0.154 1
1 1186 . 14 1 1 A 126 126 THR N N 104 120.720 121.900 -1.180 1
1 1187 . 14 1 1 A 127 127 PHE H H 105 8.170 9.114 -0.944 1
1 1188 . 14 1 1 A 127 127 PHE HA H 105 4.620 5.354 -0.734 1
1 1195 . 14 1 1 A 127 127 PHE C C 105 172.490 173.247 -0.757 1
1 1196 . 14 1 1 A 127 127 PHE CA C 105 56.610 56.789 -0.179 1
1 1197 . 14 1 1 A 127 127 PHE CB C 105 41.710 43.105 -1.395 1
1 1200 . 14 1 1 A 127 127 PHE N N 105 120.530 127.831 -7.301 1
1 1201 . 14 1 1 A 128 128 THR H H 106 8.450 8.604 -0.154 1
1 1202 . 14 1 1 A 128 128 THR HA H 106 5.090 4.972 0.118 1
1 1207 . 14 1 1 A 128 128 THR C C 106 172.750 173.281 -0.531 1
1 1208 . 14 1 1 A 128 128 THR CA C 106 63.340 60.670 2.670 1
1 1209 . 14 1 1 A 128 128 THR CB C 106 70.420 72.235 -1.815 1
1 1211 . 14 1 1 A 128 128 THR N N 106 114.010 119.867 -5.857 1
1 1212 . 14 1 1 A 129 129 ALA H H 107 10.030 8.931 1.099 1
1 1213 . 14 1 1 A 129 129 ALA HA H 107 5.540 5.268 0.272 1
1 1217 . 14 1 1 A 129 129 ALA C C 107 179.620 175.560 4.060 1
1 1218 . 14 1 1 A 129 129 ALA CA C 107 50.640 50.132 0.508 1
1 1219 . 14 1 1 A 129 129 ALA CB C 107 24.570 22.497 2.073 1
1 1220 . 14 1 1 A 129 129 ALA N N 107 135.110 128.719 6.391 1
1 1221 . 14 1 1 A 130 130 ALA H H 108 8.650 8.803 -0.153 1
1 1222 . 14 1 1 A 130 130 ALA HA H 108 5.380 5.484 -0.104 1
1 1226 . 14 1 1 A 130 130 ALA C C 108 175.480 176.337 -0.857 1
1 1227 . 14 1 1 A 130 130 ALA CA C 108 50.100 50.599 -0.499 1
1 1228 . 14 1 1 A 130 130 ALA CB C 108 22.770 21.807 0.963 1
1 1229 . 14 1 1 A 130 130 ALA N N 108 121.150 120.980 0.170 1
1 1230 . 14 1 1 A 131 131 ASP H H 109 8.770 8.708 0.062 1
1 1231 . 14 1 1 A 131 131 ASP HA H 109 3.910 4.618 -0.708 1
1 1234 . 14 1 1 A 131 131 ASP CA C 109 51.290 52.381 -1.091 1
1 1235 . 14 1 1 A 131 131 ASP CB C 109 41.350 40.802 0.548 1
1 1236 . 14 1 1 A 131 131 ASP N N 109 123.100 124.842 -1.742 1
1 1237 . 14 1 1 A 132 132 PRO HA H 110 4.140 4.202 -0.062 1
1 1242 . 14 1 1 A 132 132 PRO C C 110 176.890 177.540 -0.650 1
1 1243 . 14 1 1 A 132 132 PRO CA C 110 65.730 65.439 0.291 1
1 1244 . 14 1 1 A 132 132 PRO CB C 110 31.850 31.511 0.339 1
1 1246 . 14 1 1 A 133 133 ASP H H 111 8.740 7.303 1.437 1
1 1247 . 14 1 1 A 133 133 ASP HA H 111 4.800 4.614 0.186 1
1 1250 . 14 1 1 A 133 133 ASP C C 111 173.720 175.007 -1.287 1
1 1251 . 14 1 1 A 133 133 ASP CA C 111 54.140 53.678 0.462 1
1 1252 . 14 1 1 A 133 133 ASP CB C 111 42.910 40.868 2.042 1
1 1253 . 14 1 1 A 133 133 ASP N N 111 118.220 115.348 2.872 1
1 1254 . 14 1 1 A 134 134 SER H H 112 8.370 7.608 0.762 1
1 1255 . 14 1 1 A 134 134 SER HA H 112 3.710 3.991 -0.281 1
1 1258 . 14 1 1 A 134 134 SER CA C 112 60.670 58.925 1.745 1
1 1259 . 14 1 1 A 134 134 SER CB C 112 61.430 61.021 0.409 1
1 1260 . 14 1 1 A 134 134 SER N N 112 109.220 112.896 -3.676 1
1 1261 . 14 1 1 A 135 135 HIS H H 113 8.850 7.608 1.242 1
1 1268 . 14 1 1 A 135 135 HIS N N 113 122.820 118.565 4.255 1
1 1269 . 14 1 1 A 136 136 ARG HA H 114 4.680 4.631 0.049 1
1 1270 . 14 1 1 A 136 136 ARG C C 114 175.220 175.124 0.096 1
1 1271 . 14 1 1 A 136 136 ARG CA C 114 57.560 55.877 1.683 1
1 1272 . 14 1 1 A 137 137 LEU H H 115 8.680 9.258 -0.578 1
1 1273 . 14 1 1 A 137 137 LEU HA H 115 5.490 5.142 0.348 1
1 1282 . 14 1 1 A 137 137 LEU C C 115 174.620 175.449 -0.829 1
1 1283 . 14 1 1 A 137 137 LEU CA C 115 52.580 54.092 -1.512 1
1 1284 . 14 1 1 A 137 137 LEU CB C 115 43.070 41.929 1.141 1
1 1287 . 14 1 1 A 137 137 LEU N N 115 123.990 127.179 -3.189 1
1 1288 . 14 1 1 A 138 138 ARG H H 116 9.510 9.056 0.454 1
1 1289 . 14 1 1 A 138 138 ARG HA H 116 5.120 4.979 0.141 1
1 1292 . 14 1 1 A 138 138 ARG C C 116 175.090 175.148 -0.058 1
1 1293 . 14 1 1 A 138 138 ARG CA C 116 54.700 55.483 -0.783 1
1 1294 . 14 1 1 A 138 138 ARG CB C 116 33.480 31.659 1.821 1
1 1295 . 14 1 1 A 138 138 ARG N N 116 125.370 126.690 -1.320 1
1 1296 . 14 1 1 A 139 139 VAL H H 117 7.970 8.784 -0.814 1
1 1297 . 14 1 1 A 139 139 VAL HA H 117 5.280 5.411 -0.131 1
1 1305 . 14 1 1 A 139 139 VAL C C 117 176.390 175.090 1.300 1
1 1306 . 14 1 1 A 139 139 VAL CA C 117 60.090 61.453 -1.363 1
1 1307 . 14 1 1 A 139 139 VAL CB C 117 32.690 34.920 -2.230 1
1 1310 . 14 1 1 A 139 139 VAL N N 117 128.260 125.563 2.697 1
1 1311 . 14 1 1 A 140 140 TYR H H 118 9.200 8.801 0.399 1
1 1312 . 14 1 1 A 140 140 TYR HA H 118 5.800 6.009 -0.209 1
1 1319 . 14 1 1 A 140 140 TYR C C 118 170.820 173.868 -3.048 1
1 1320 . 14 1 1 A 140 140 TYR CA C 118 56.060 55.210 0.850 1
1 1321 . 14 1 1 A 140 140 TYR CB C 118 42.460 41.768 0.692 1
1 1324 . 14 1 1 A 140 140 TYR N N 118 127.020 124.442 2.578 1
1 1325 . 14 1 1 A 141 141 ALA H H 119 8.330 9.090 -0.760 1
1 1326 . 14 1 1 A 141 141 ALA HA H 119 4.560 5.009 -0.449 1
1 1330 . 14 1 1 A 141 141 ALA C C 119 177.150 176.037 1.113 1
1 1331 . 14 1 1 A 141 141 ALA CA C 119 50.530 50.583 -0.053 1
1 1332 . 14 1 1 A 141 141 ALA CB C 119 21.220 21.159 0.061 1
1 1333 . 14 1 1 A 141 141 ALA N N 119 121.160 123.052 -1.892 1
1 1334 . 14 1 1 A 142 142 PHE H H 120 8.780 9.049 -0.269 1
1 1335 . 14 1 1 A 142 142 PHE HA H 120 4.910 5.369 -0.459 1
1 1340 . 14 1 1 A 142 142 PHE C C 120 175.090 174.088 1.002 1
1 1341 . 14 1 1 A 142 142 PHE CA C 120 57.720 57.797 -0.077 1
1 1342 . 14 1 1 A 142 142 PHE CB C 120 40.810 39.549 1.261 1
1 1344 . 14 1 1 A 142 142 PHE N N 120 122.630 126.465 -3.835 1
1 1345 . 14 1 1 A 143 143 ALA H H 121 8.190 8.545 -0.355 1
1 1346 . 14 1 1 A 143 143 ALA HA H 121 4.330 4.560 -0.230 1
1 1350 . 14 1 1 A 143 143 ALA C C 121 176.260 177.576 -1.316 1
1 1351 . 14 1 1 A 143 143 ALA CA C 121 52.280 51.455 0.825 1
1 1352 . 14 1 1 A 143 143 ALA CB C 121 19.310 18.425 0.885 1
1 1353 . 14 1 1 A 143 143 ALA N N 121 129.460 130.086 -0.626 1
1 16 . 15 1 1 A 24 24 THR H H 2 8.350 7.386 0.964 1
1 17 . 15 1 1 A 24 24 THR HA H 2 4.470 5.036 -0.566 1
1 22 . 15 1 1 A 24 24 THR CA C 2 61.890 61.426 0.464 1
1 23 . 15 1 1 A 24 24 THR CB C 2 69.630 72.749 -3.119 1
1 25 . 15 1 1 A 24 24 THR N N 2 117.720 114.116 3.604 1
1 26 . 15 1 1 A 25 25 HIS H H 3 8.630 8.817 -0.187 1
1 27 . 15 1 1 A 25 25 HIS HA H 3 5.200 5.218 -0.018 1
1 30 . 15 1 1 A 25 25 HIS CA C 3 51.620 52.857 -1.237 1
1 31 . 15 1 1 A 25 25 HIS CB C 3 33.320 31.067 2.253 1
1 32 . 15 1 1 A 25 25 HIS N N 3 124.890 121.474 3.416 1
1 33 . 15 1 1 A 26 26 PRO HA H 4 4.170 4.539 -0.369 1
1 40 . 15 1 1 A 26 26 PRO C C 4 175.740 176.496 -0.756 1
1 41 . 15 1 1 A 26 26 PRO CA C 4 62.740 62.981 -0.241 1
1 42 . 15 1 1 A 26 26 PRO CB C 4 31.460 30.353 1.107 1
1 45 . 15 1 1 A 27 27 ASP H H 5 8.270 8.395 -0.125 1
1 46 . 15 1 1 A 27 27 ASP HA H 5 4.810 4.584 0.226 1
1 49 . 15 1 1 A 27 27 ASP C C 5 175.400 175.677 -0.277 1
1 50 . 15 1 1 A 27 27 ASP CA C 5 53.310 54.485 -1.175 1
1 51 . 15 1 1 A 27 27 ASP CB C 5 42.390 39.742 2.648 1
1 52 . 15 1 1 A 27 27 ASP N N 5 119.440 118.916 0.524 1
1 53 . 15 1 1 A 28 28 PHE H H 6 7.280 7.765 -0.485 1
1 54 . 15 1 1 A 28 28 PHE HA H 6 5.440 5.109 0.331 1
1 61 . 15 1 1 A 28 28 PHE C C 6 174.180 173.306 0.874 1
1 62 . 15 1 1 A 28 28 PHE CA C 6 54.590 56.622 -2.032 1
1 63 . 15 1 1 A 28 28 PHE CB C 6 42.310 42.327 -0.017 1
1 66 . 15 1 1 A 28 28 PHE N N 6 118.410 119.869 -1.459 1
1 67 . 15 1 1 A 29 29 THR H H 7 8.500 9.197 -0.697 1
1 68 . 15 1 1 A 29 29 THR HA H 7 4.800 5.129 -0.329 1
1 73 . 15 1 1 A 29 29 THR C C 7 172.280 172.923 -0.643 1
1 74 . 15 1 1 A 29 29 THR CA C 7 62.550 59.993 2.557 1
1 75 . 15 1 1 A 29 29 THR CB C 7 70.420 71.611 -1.191 1
1 77 . 15 1 1 A 29 29 THR N N 7 123.070 121.774 1.296 1
1 78 . 15 1 1 A 30 30 ILE H H 8 9.270 8.968 0.302 1
1 79 . 15 1 1 A 30 30 ILE HA H 8 4.680 4.782 -0.102 1
1 89 . 15 1 1 A 30 30 ILE C C 8 173.970 174.830 -0.860 1
1 90 . 15 1 1 A 30 30 ILE CA C 8 59.220 59.843 -0.623 1
1 91 . 15 1 1 A 30 30 ILE CB C 8 40.210 41.321 -1.111 1
1 95 . 15 1 1 A 30 30 ILE N N 8 126.920 127.744 -0.824 1
1 96 . 15 1 1 A 31 31 LEU H H 9 8.760 8.631 0.129 1
1 97 . 15 1 1 A 31 31 LEU HA H 9 4.330 4.795 -0.465 1
1 107 . 15 1 1 A 31 31 LEU C C 9 176.520 175.411 1.109 1
1 108 . 15 1 1 A 31 31 LEU CA C 9 52.960 53.780 -0.820 1
1 109 . 15 1 1 A 31 31 LEU CB C 9 41.820 43.673 -1.853 1
1 113 . 15 1 1 A 31 31 LEU N N 9 126.000 127.157 -1.157 1
1 114 . 15 1 1 A 32 32 TYR H H 10 8.190 8.669 -0.479 1
1 115 . 15 1 1 A 32 32 TYR HA H 10 5.980 5.166 0.814 1
1 118 . 15 1 1 A 32 32 TYR C C 10 177.720 174.552 3.168 1
1 119 . 15 1 1 A 32 32 TYR CA C 10 53.120 56.010 -2.890 1
1 120 . 15 1 1 A 32 32 TYR CB C 10 36.560 39.527 -2.967 1
1 121 . 15 1 1 A 32 32 TYR N N 10 122.130 124.796 -2.666 1
1 122 . 15 1 1 A 33 33 VAL H H 11 8.470 8.626 -0.156 1
1 123 . 15 1 1 A 33 33 VAL HA H 11 4.990 5.085 -0.095 1
1 131 . 15 1 1 A 33 33 VAL C C 11 176.030 175.485 0.545 1
1 132 . 15 1 1 A 33 33 VAL CA C 11 58.240 59.669 -1.429 1
1 133 . 15 1 1 A 33 33 VAL CB C 11 35.090 34.532 0.558 1
1 136 . 15 1 1 A 33 33 VAL N N 11 113.820 122.749 -8.929 1
1 137 . 15 1 1 A 34 34 ASP H H 12 9.750 9.119 0.631 1
1 138 . 15 1 1 A 34 34 ASP HA H 12 4.550 4.813 -0.263 1
1 141 . 15 1 1 A 34 34 ASP C C 12 177.230 175.489 1.741 1
1 142 . 15 1 1 A 34 34 ASP CA C 12 58.000 55.562 2.438 1
1 143 . 15 1 1 A 34 34 ASP CB C 12 42.780 43.462 -0.682 1
1 144 . 15 1 1 A 34 34 ASP N N 12 124.140 121.990 2.150 1
1 145 . 15 1 1 A 35 35 ASN H H 13 9.250 7.650 1.600 1
1 146 . 15 1 1 A 35 35 ASN HA H 13 5.120 4.990 0.130 1
1 151 . 15 1 1 A 35 35 ASN CA C 13 50.610 50.084 0.526 1
1 152 . 15 1 1 A 35 35 ASN CB C 13 39.920 38.797 1.123 1
1 153 . 15 1 1 A 35 35 ASN N N 13 114.460 116.547 -2.087 1
1 155 . 15 1 1 A 37 37 PRO HA H 15 4.350 4.261 0.089 1
1 162 . 15 1 1 A 37 37 PRO C C 15 179.310 179.431 -0.121 1
1 163 . 15 1 1 A 37 37 PRO CA C 15 67.480 66.672 0.808 1
1 164 . 15 1 1 A 37 37 PRO CB C 15 31.340 30.795 0.545 1
1 167 . 15 1 1 A 38 38 ALA H H 16 7.740 8.267 -0.527 1
1 168 . 15 1 1 A 38 38 ALA HA H 16 4.310 4.115 0.195 1
1 172 . 15 1 1 A 38 38 ALA C C 16 182.490 179.853 2.637 1
1 173 . 15 1 1 A 38 38 ALA CA C 16 55.160 55.349 -0.189 1
1 174 . 15 1 1 A 38 38 ALA CB C 16 18.360 18.227 0.133 1
1 175 . 15 1 1 A 38 38 ALA N N 16 121.510 119.292 2.218 1
1 176 . 15 1 1 A 39 39 SER H H 17 8.770 8.036 0.734 1
1 177 . 15 1 1 A 39 39 SER HA H 17 4.190 4.392 -0.202 1
1 180 . 15 1 1 A 39 39 SER C C 17 175.610 177.691 -2.081 1
1 181 . 15 1 1 A 39 39 SER CA C 17 64.260 61.602 2.658 1
1 182 . 15 1 1 A 39 39 SER CB C 17 62.790 62.694 0.096 1
1 183 . 15 1 1 A 39 39 SER N N 17 117.520 113.351 4.169 1
1 184 . 15 1 1 A 40 40 THR H H 18 9.310 7.797 1.513 1
1 185 . 15 1 1 A 40 40 THR HA H 18 4.480 4.266 0.214 1
1 190 . 15 1 1 A 40 40 THR C C 18 175.590 177.147 -1.557 1
1 191 . 15 1 1 A 40 40 THR CA C 18 68.130 66.798 1.332 1
1 192 . 15 1 1 A 40 40 THR CB C 18 68.480 68.340 0.140 1
1 194 . 15 1 1 A 40 40 THR N N 18 120.600 116.852 3.748 1
1 195 . 15 1 1 A 41 41 GLN H H 19 7.610 7.989 -0.379 1
1 196 . 15 1 1 A 41 41 GLN HA H 19 4.080 4.099 -0.019 1
1 203 . 15 1 1 A 41 41 GLN C C 19 178.110 178.399 -0.289 1
1 204 . 15 1 1 A 41 41 GLN CA C 19 59.170 59.067 0.103 1
1 205 . 15 1 1 A 41 41 GLN CB C 19 28.170 28.144 0.026 1
1 207 . 15 1 1 A 41 41 GLN N N 19 120.130 120.668 -0.538 1
1 209 . 15 1 1 A 42 42 PHE H H 20 7.710 7.985 -0.275 1
1 210 . 15 1 1 A 42 42 PHE HA H 20 4.080 4.202 -0.122 1
1 218 . 15 1 1 A 42 42 PHE C C 20 177.460 177.049 0.411 1
1 219 . 15 1 1 A 42 42 PHE CA C 20 61.760 61.299 0.461 1
1 220 . 15 1 1 A 42 42 PHE CB C 20 38.590 38.735 -0.145 1
1 224 . 15 1 1 A 42 42 PHE N N 20 120.560 122.424 -1.864 1
1 225 . 15 1 1 A 43 43 TYR H H 21 8.890 8.196 0.694 1
1 226 . 15 1 1 A 43 43 TYR HA H 21 3.700 4.138 -0.438 1
1 233 . 15 1 1 A 43 43 TYR C C 21 177.640 178.150 -0.510 1
1 234 . 15 1 1 A 43 43 TYR CA C 21 64.290 61.494 2.796 1
1 235 . 15 1 1 A 43 43 TYR CB C 21 38.110 37.417 0.693 1
1 238 . 15 1 1 A 43 43 TYR N N 21 118.420 117.827 0.593 1
1 239 . 15 1 1 A 44 44 LYS H H 22 8.860 8.018 0.842 1
1 240 . 15 1 1 A 44 44 LYS HA H 22 4.630 3.686 0.944 1
1 249 . 15 1 1 A 44 44 LYS C C 22 179.780 178.982 0.798 1
1 250 . 15 1 1 A 44 44 LYS CA C 22 59.630 59.568 0.062 1
1 251 . 15 1 1 A 44 44 LYS CB C 22 33.210 32.373 0.837 1
1 255 . 15 1 1 A 44 44 LYS N N 22 122.200 120.070 2.130 1
1 256 . 15 1 1 A 45 45 ALA H H 23 7.180 7.428 -0.248 1
1 257 . 15 1 1 A 45 45 ALA HA H 23 4.040 4.016 0.024 1
1 261 . 15 1 1 A 45 45 ALA C C 23 179.130 180.192 -1.062 1
1 262 . 15 1 1 A 45 45 ALA CA C 23 54.350 54.665 -0.315 1
1 263 . 15 1 1 A 45 45 ALA CB C 23 18.030 18.307 -0.277 1
1 264 . 15 1 1 A 45 45 ALA N N 23 120.710 121.729 -1.019 1
1 265 . 15 1 1 A 46 46 LEU H H 24 7.510 7.599 -0.089 1
1 266 . 15 1 1 A 46 46 LEU HA H 24 3.550 3.876 -0.326 1
1 276 . 15 1 1 A 46 46 LEU C C 24 178.680 178.104 0.576 1
1 277 . 15 1 1 A 46 46 LEU CA C 24 57.910 57.123 0.787 1
1 278 . 15 1 1 A 46 46 LEU CB C 24 43.950 41.108 2.842 1
1 282 . 15 1 1 A 46 46 LEU N N 24 118.650 120.267 -1.617 1
1 283 . 15 1 1 A 47 47 LEU H H 25 8.800 7.515 1.285 1
1 284 . 15 1 1 A 47 47 LEU HA H 25 4.480 4.581 -0.101 1
1 294 . 15 1 1 A 47 47 LEU C C 25 178.960 177.878 1.082 1
1 295 . 15 1 1 A 47 47 LEU CA C 25 55.010 55.342 -0.332 1
1 296 . 15 1 1 A 47 47 LEU CB C 25 42.500 43.245 -0.745 1
1 300 . 15 1 1 A 47 47 LEU N N 25 112.540 117.201 -4.661 1
1 301 . 15 1 1 A 48 48 GLY H H 26 7.810 8.388 -0.578 1
1 302 . 15 1 1 A 48 48 GLY HA2 H 26 4.030 3.921 0.109 1
1 303 . 15 1 1 A 48 48 GLY HA3 H 26 3.900 3.946 -0.046 1
1 304 . 15 1 1 A 48 48 GLY C C 26 173.560 173.976 -0.416 1
1 305 . 15 1 1 A 48 48 GLY CA C 26 46.810 46.100 0.710 1
1 306 . 15 1 1 A 48 48 GLY N N 26 107.650 107.015 0.635 1
1 307 . 15 1 1 A 49 49 VAL H H 27 7.100 7.238 -0.138 1
1 308 . 15 1 1 A 49 49 VAL HA H 27 4.700 4.837 -0.137 1
1 316 . 15 1 1 A 49 49 VAL C C 27 172.980 173.880 -0.900 1
1 317 . 15 1 1 A 49 49 VAL CA C 27 58.680 59.059 -0.379 1
1 318 . 15 1 1 A 49 49 VAL CB C 27 36.090 36.074 0.016 1
1 321 . 15 1 1 A 49 49 VAL N N 27 110.770 115.307 -4.537 1
1 322 . 15 1 1 A 50 50 ASP H H 28 8.100 8.930 -0.830 1
1 323 . 15 1 1 A 50 50 ASP HA H 28 4.930 5.094 -0.164 1
1 326 . 15 1 1 A 50 50 ASP CA C 28 52.550 51.369 1.181 1
1 327 . 15 1 1 A 50 50 ASP CB C 28 40.520 44.115 -3.595 1
1 328 . 15 1 1 A 50 50 ASP N N 28 119.760 119.377 0.383 1
1 329 . 15 1 1 A 51 51 PRO HA H 29 3.700 4.873 -1.173 1
1 336 . 15 1 1 A 51 51 PRO C C 29 176.580 177.792 -1.212 1
1 337 . 15 1 1 A 51 51 PRO CA C 29 62.900 62.865 0.035 1
1 338 . 15 1 1 A 51 51 PRO CB C 29 30.550 31.744 -1.194 1
1 341 . 15 1 1 A 52 52 VAL H H 30 8.340 8.678 -0.338 1
1 342 . 15 1 1 A 52 52 VAL HA H 30 4.080 3.995 0.085 1
1 350 . 15 1 1 A 52 52 VAL C C 30 176.190 175.906 0.284 1
1 351 . 15 1 1 A 52 52 VAL CA C 30 62.790 64.281 -1.491 1
1 352 . 15 1 1 A 52 52 VAL CB C 30 32.280 32.385 -0.105 1
1 355 . 15 1 1 A 52 52 VAL N N 30 117.320 125.049 -7.729 1
1 356 . 15 1 1 A 53 53 GLU H H 31 7.170 7.583 -0.413 1
1 357 . 15 1 1 A 53 53 GLU HA H 31 4.580 4.969 -0.389 1
1 362 . 15 1 1 A 53 53 GLU C C 31 174.940 175.487 -0.547 1
1 363 . 15 1 1 A 53 53 GLU CA C 31 55.330 54.971 0.359 1
1 364 . 15 1 1 A 53 53 GLU CB C 31 33.370 32.593 0.777 1
1 366 . 15 1 1 A 53 53 GLU N N 31 118.180 120.225 -2.045 1
1 367 . 15 1 1 A 54 54 SER H H 32 8.650 8.735 -0.085 1
1 368 . 15 1 1 A 54 54 SER HA H 32 5.130 5.253 -0.123 1
1 371 . 15 1 1 A 54 54 SER C C 32 171.990 172.779 -0.789 1
1 372 . 15 1 1 A 54 54 SER CA C 32 57.940 57.412 0.528 1
1 373 . 15 1 1 A 54 54 SER CB C 32 64.720 66.549 -1.829 1
1 374 . 15 1 1 A 54 54 SER N N 32 117.210 116.606 0.604 1
1 375 . 15 1 1 A 55 55 SER H H 33 8.760 8.890 -0.130 1
1 376 . 15 1 1 A 55 55 SER N N 33 124.420 117.343 7.077 1
1 377 . 15 1 1 A 56 56 PRO HA H 34 4.320 4.366 -0.046 1
1 382 . 15 1 1 A 56 56 PRO C C 34 177.290 177.131 0.159 1
1 383 . 15 1 1 A 56 56 PRO CA C 34 65.750 64.950 0.800 1
1 384 . 15 1 1 A 56 56 PRO CB C 34 32.490 31.822 0.668 1
1 386 . 15 1 1 A 57 57 THR H H 35 7.810 8.031 -0.221 1
1 387 . 15 1 1 A 57 57 THR HA H 35 4.630 4.722 -0.092 1
1 392 . 15 1 1 A 57 57 THR C C 35 174.080 173.448 0.632 1
1 393 . 15 1 1 A 57 57 THR CA C 35 61.860 61.098 0.762 1
1 394 . 15 1 1 A 57 57 THR CB C 35 70.940 69.750 1.190 1
1 396 . 15 1 1 A 57 57 THR N N 35 101.710 110.207 -8.497 1
1 397 . 15 1 1 A 58 58 PHE H H 36 7.670 7.218 0.452 1
1 398 . 15 1 1 A 58 58 PHE HA H 36 5.780 4.668 1.112 1
1 405 . 15 1 1 A 58 58 PHE CA C 36 57.820 58.026 -0.206 1
1 406 . 15 1 1 A 58 58 PHE CB C 36 43.010 42.335 0.675 1
1 409 . 15 1 1 A 58 58 PHE N N 36 124.370 121.866 2.504 1
1 410 . 15 1 1 A 59 59 SER H H 37 8.070 7.697 0.373 1
1 411 . 15 1 1 A 59 59 SER HA H 37 4.890 4.932 -0.042 1
1 414 . 15 1 1 A 59 59 SER C C 37 170.010 172.628 -2.618 1
1 415 . 15 1 1 A 59 59 SER CA C 37 56.660 57.058 -0.398 1
1 416 . 15 1 1 A 59 59 SER CB C 37 67.490 66.258 1.232 1
1 417 . 15 1 1 A 59 59 SER N N 37 122.930 118.348 4.582 1
1 418 . 15 1 1 A 60 60 LEU H H 38 8.140 8.487 -0.347 1
1 419 . 15 1 1 A 60 60 LEU HA H 38 4.810 4.350 0.460 1
1 429 . 15 1 1 A 60 60 LEU C C 38 174.000 174.391 -0.391 1
1 430 . 15 1 1 A 60 60 LEU CA C 38 53.750 54.502 -0.752 1
1 431 . 15 1 1 A 60 60 LEU CB C 38 47.250 45.767 1.483 1
1 435 . 15 1 1 A 60 60 LEU N N 38 122.030 122.898 -0.868 1
1 436 . 15 1 1 A 61 61 PHE H H 39 9.460 8.055 1.405 1
1 437 . 15 1 1 A 61 61 PHE HA H 39 4.580 5.773 -1.193 1
1 444 . 15 1 1 A 61 61 PHE C C 39 174.390 173.474 0.916 1
1 445 . 15 1 1 A 61 61 PHE CA C 39 57.180 55.097 2.083 1
1 446 . 15 1 1 A 61 61 PHE CB C 39 41.570 42.651 -1.081 1
1 449 . 15 1 1 A 61 61 PHE N N 39 124.820 122.572 2.248 1
1 450 . 15 1 1 A 62 62 VAL H H 40 8.640 9.060 -0.420 1
1 451 . 15 1 1 A 62 62 VAL HA H 40 4.260 4.613 -0.353 1
1 459 . 15 1 1 A 62 62 VAL C C 40 175.380 174.836 0.544 1
1 460 . 15 1 1 A 62 62 VAL CA C 40 62.520 61.242 1.278 1
1 461 . 15 1 1 A 62 62 VAL CB C 40 32.470 33.457 -0.987 1
1 464 . 15 1 1 A 62 62 VAL N N 40 122.650 123.019 -0.369 1
1 465 . 15 1 1 A 63 63 LEU H H 41 8.710 8.717 -0.007 1
1 466 . 15 1 1 A 63 63 LEU HA H 41 4.590 4.800 -0.210 1
1 476 . 15 1 1 A 63 63 LEU CA C 41 53.560 53.359 0.201 1
1 477 . 15 1 1 A 63 63 LEU CB C 41 41.600 42.943 -1.343 1
1 481 . 15 1 1 A 63 63 LEU N N 41 126.170 127.803 -1.633 1
1 482 . 15 1 1 A 64 64 ALA HA H 42 4.040 4.166 -0.126 1
1 486 . 15 1 1 A 64 64 ALA CA C 42 55.050 54.059 0.991 1
1 487 . 15 1 1 A 64 64 ALA CB C 42 18.580 18.547 0.033 1
1 488 . 15 1 1 A 65 65 ASN H H 43 7.680 7.905 -0.225 1
1 489 . 15 1 1 A 65 65 ASN HA H 43 4.520 4.666 -0.146 1
1 494 . 15 1 1 A 65 65 ASN C C 43 175.860 175.875 -0.015 1
1 495 . 15 1 1 A 65 65 ASN CA C 43 52.530 53.346 -0.816 1
1 496 . 15 1 1 A 65 65 ASN CB C 43 37.800 38.673 -0.873 1
1 497 . 15 1 1 A 65 65 ASN N N 43 112.130 115.021 -2.891 1
1 499 . 15 1 1 A 66 66 GLY H H 44 8.070 8.291 -0.221 1
1 500 . 15 1 1 A 66 66 GLY HA2 H 44 4.330 3.871 0.459 1
1 501 . 15 1 1 A 66 66 GLY HA3 H 44 3.480 3.876 -0.396 1
1 502 . 15 1 1 A 66 66 GLY C C 44 174.260 173.833 0.427 1
1 503 . 15 1 1 A 66 66 GLY CA C 44 44.930 45.657 -0.727 1
1 504 . 15 1 1 A 66 66 GLY N N 44 107.650 108.945 -1.295 1
1 505 . 15 1 1 A 67 67 MET H H 45 7.900 7.731 0.169 1
1 506 . 15 1 1 A 67 67 MET HA H 45 4.420 5.045 -0.625 1
1 514 . 15 1 1 A 67 67 MET CA C 45 55.520 53.243 2.277 1
1 515 . 15 1 1 A 67 67 MET CB C 45 33.630 36.041 -2.411 1
1 518 . 15 1 1 A 67 67 MET N N 45 121.850 116.369 5.481 1
1 519 . 15 1 1 A 68 68 LYS HA H 46 5.040 5.106 -0.066 1
1 528 . 15 1 1 A 68 68 LYS C C 46 174.600 174.278 0.322 1
1 529 . 15 1 1 A 68 68 LYS CA C 46 55.410 54.910 0.500 1
1 530 . 15 1 1 A 68 68 LYS CB C 46 34.460 35.953 -1.493 1
1 534 . 15 1 1 A 69 69 LEU H H 47 8.830 8.574 0.256 1
1 535 . 15 1 1 A 69 69 LEU HA H 47 5.450 5.602 -0.152 1
1 545 . 15 1 1 A 69 69 LEU C C 47 174.880 175.037 -0.157 1
1 546 . 15 1 1 A 69 69 LEU CA C 47 52.980 53.576 -0.596 1
1 547 . 15 1 1 A 69 69 LEU CB C 47 46.560 45.433 1.127 1
1 551 . 15 1 1 A 69 69 LEU N N 47 124.960 126.790 -1.830 1
1 552 . 15 1 1 A 70 70 GLY H H 48 9.580 9.248 0.332 1
1 553 . 15 1 1 A 70 70 GLY HA2 H 48 5.220 3.867 1.353 1
1 554 . 15 1 1 A 70 70 GLY HA3 H 48 3.090 4.257 -1.167 1
1 555 . 15 1 1 A 70 70 GLY C C 48 170.590 172.144 -1.554 1
1 556 . 15 1 1 A 70 70 GLY CA C 48 43.370 44.021 -0.651 1
1 557 . 15 1 1 A 70 70 GLY N N 48 113.940 113.989 -0.049 1
1 558 . 15 1 1 A 71 71 LEU H H 49 8.250 8.129 0.121 1
1 559 . 15 1 1 A 71 71 LEU HA H 49 5.150 5.006 0.144 1
1 569 . 15 1 1 A 71 71 LEU C C 49 173.920 174.041 -0.121 1
1 570 . 15 1 1 A 71 71 LEU CA C 49 52.770 54.004 -1.234 1
1 571 . 15 1 1 A 71 71 LEU CB C 49 43.100 44.952 -1.852 1
1 575 . 15 1 1 A 71 71 LEU N N 49 122.270 120.866 1.404 1
1 576 . 15 1 1 A 72 72 TRP H H 50 8.960 8.717 0.243 1
1 577 . 15 1 1 A 72 72 TRP HA H 50 5.860 5.612 0.248 1
1 584 . 15 1 1 A 72 72 TRP C C 50 175.740 175.023 0.717 1
1 585 . 15 1 1 A 72 72 TRP CA C 50 53.170 55.315 -2.145 1
1 586 . 15 1 1 A 72 72 TRP CB C 50 34.990 32.318 2.672 1
1 590 . 15 1 1 A 72 72 TRP N N 50 125.010 128.808 -3.798 1
1 592 . 15 1 1 A 73 73 SER H H 51 9.010 8.641 0.369 1
1 593 . 15 1 1 A 73 73 SER HA H 51 4.570 4.706 -0.136 1
1 596 . 15 1 1 A 73 73 SER C C 51 176.240 175.584 0.656 1
1 597 . 15 1 1 A 73 73 SER CA C 51 58.490 59.791 -1.301 1
1 598 . 15 1 1 A 73 73 SER CB C 51 63.770 63.090 0.680 1
1 599 . 15 1 1 A 73 73 SER N N 51 120.380 123.675 -3.295 1
1 600 . 15 1 1 A 74 74 ARG H H 52 9.420 8.801 0.619 1
1 601 . 15 1 1 A 74 74 ARG HA H 52 3.460 3.768 -0.308 1
1 608 . 15 1 1 A 74 74 ARG C C 52 175.610 176.750 -1.140 1
1 609 . 15 1 1 A 74 74 ARG CA C 52 57.590 57.905 -0.315 1
1 610 . 15 1 1 A 74 74 ARG CB C 52 28.900 29.213 -0.313 1
1 613 . 15 1 1 A 74 74 ARG N N 52 128.770 125.188 3.582 1
1 614 . 15 1 1 A 75 75 HIS H H 53 7.910 7.966 -0.056 1
1 615 . 15 1 1 A 75 75 HIS HA H 53 4.310 4.527 -0.217 1
1 619 . 15 1 1 A 75 75 HIS C C 53 176.610 175.446 1.164 1
1 620 . 15 1 1 A 75 75 HIS CA C 53 57.190 57.336 -0.146 1
1 621 . 15 1 1 A 75 75 HIS CB C 53 31.260 28.815 2.445 1
1 623 . 15 1 1 A 75 75 HIS N N 53 117.320 116.476 0.844 1
1 624 . 15 1 1 A 76 76 THR H H 54 7.360 7.511 -0.151 1
1 625 . 15 1 1 A 76 76 THR HA H 54 4.540 4.522 0.018 1
1 630 . 15 1 1 A 76 76 THR C C 54 175.120 174.138 0.982 1
1 631 . 15 1 1 A 76 76 THR CA C 54 61.840 61.281 0.559 1
1 632 . 15 1 1 A 76 76 THR CB C 54 69.680 70.677 -0.997 1
1 634 . 15 1 1 A 76 76 THR N N 54 107.350 113.748 -6.398 1
1 635 . 15 1 1 A 77 77 VAL H H 55 6.630 7.496 -0.866 1
1 636 . 15 1 1 A 77 77 VAL HA H 55 2.700 4.088 -1.388 1
1 644 . 15 1 1 A 77 77 VAL C C 55 173.920 175.377 -1.457 1
1 645 . 15 1 1 A 77 77 VAL CA C 55 63.500 62.755 0.745 1
1 646 . 15 1 1 A 77 77 VAL CB C 55 31.270 32.529 -1.259 1
1 649 . 15 1 1 A 77 77 VAL N N 55 123.760 122.303 1.457 1
1 650 . 15 1 1 A 78 78 GLU H H 56 6.010 8.387 -2.377 1
1 651 . 15 1 1 A 78 78 GLU HA H 56 4.160 4.804 -0.644 1
1 656 . 15 1 1 A 78 78 GLU CA C 56 53.120 52.440 0.680 1
1 657 . 15 1 1 A 78 78 GLU CB C 56 32.240 30.960 1.280 1
1 659 . 15 1 1 A 78 78 GLU N N 56 124.820 127.520 -2.700 1
1 660 . 15 1 1 A 79 79 PRO HA H 57 4.620 4.607 0.013 1
1 667 . 15 1 1 A 79 79 PRO C C 57 176.190 176.583 -0.393 1
1 668 . 15 1 1 A 79 79 PRO CA C 57 61.890 62.535 -0.645 1
1 669 . 15 1 1 A 79 79 PRO CB C 57 33.620 32.086 1.534 1
1 672 . 15 1 1 A 80 80 LYS H H 58 8.340 8.257 0.083 1
1 673 . 15 1 1 A 80 80 LYS HA H 58 3.880 4.251 -0.371 1
1 682 . 15 1 1 A 80 80 LYS C C 58 177.100 176.548 0.552 1
1 683 . 15 1 1 A 80 80 LYS CA C 58 57.610 56.855 0.755 1
1 684 . 15 1 1 A 80 80 LYS CB C 58 32.400 32.674 -0.274 1
1 688 . 15 1 1 A 80 80 LYS N N 58 121.510 121.432 0.078 1
1 689 . 15 1 1 A 81 81 ALA H H 59 8.430 8.806 -0.376 1
1 690 . 15 1 1 A 81 81 ALA HA H 59 4.870 5.053 -0.183 1
1 694 . 15 1 1 A 81 81 ALA C C 59 177.460 176.064 1.396 1
1 695 . 15 1 1 A 81 81 ALA CA C 59 51.020 51.385 -0.365 1
1 696 . 15 1 1 A 81 81 ALA CB C 59 22.910 22.161 0.749 1
1 697 . 15 1 1 A 81 81 ALA N N 59 129.030 126.385 2.645 1
1 698 . 15 1 1 A 82 82 SER H H 60 9.680 8.955 0.725 1
1 699 . 15 1 1 A 82 82 SER HA H 60 4.510 5.080 -0.570 1
1 702 . 15 1 1 A 82 82 SER C C 60 172.960 173.464 -0.504 1
1 703 . 15 1 1 A 82 82 SER CA C 60 58.350 57.328 1.022 1
1 704 . 15 1 1 A 82 82 SER CB C 60 65.150 63.027 2.123 1
1 705 . 15 1 1 A 82 82 SER N N 60 115.930 118.829 -2.899 1
1 706 . 15 1 1 A 83 83 VAL H H 61 7.450 8.565 -1.115 1
1 707 . 15 1 1 A 83 83 VAL HA H 61 4.260 4.834 -0.574 1
1 715 . 15 1 1 A 83 83 VAL CA C 61 60.940 60.596 0.344 1
1 716 . 15 1 1 A 83 83 VAL CB C 61 35.360 34.974 0.386 1
1 719 . 15 1 1 A 83 83 VAL N N 61 121.550 125.848 -4.298 1
1 720 . 15 1 1 A 84 84 THR H H 62 7.850 9.053 -1.203 1
1 721 . 15 1 1 A 84 84 THR HA H 62 4.750 5.263 -0.513 1
1 726 . 15 1 1 A 84 84 THR C C 62 174.040 173.377 0.663 1
1 727 . 15 1 1 A 84 84 THR CA C 62 59.370 60.486 -1.116 1
1 728 . 15 1 1 A 84 84 THR CB C 62 68.800 71.529 -2.729 1
1 730 . 15 1 1 A 84 84 THR N N 62 111.040 119.487 -8.447 1
1 731 . 15 1 1 A 85 85 GLY H H 63 7.950 8.441 -0.491 1
1 732 . 15 1 1 A 85 85 GLY HA2 H 63 3.480 4.158 -0.678 1
1 733 . 15 1 1 A 85 85 GLY HA3 H 63 2.950 4.164 -1.214 1
1 734 . 15 1 1 A 85 85 GLY C C 63 174.140 174.503 -0.363 1
1 735 . 15 1 1 A 85 85 GLY CA C 63 45.490 45.639 -0.149 1
1 736 . 15 1 1 A 85 85 GLY N N 63 109.700 109.278 0.422 1
1 737 . 15 1 1 A 86 86 GLY H H 64 8.530 8.628 -0.098 1
1 738 . 15 1 1 A 86 86 GLY HA2 H 64 4.550 3.888 0.662 1
1 739 . 15 1 1 A 86 86 GLY HA3 H 64 3.700 3.912 -0.212 1
1 740 . 15 1 1 A 86 86 GLY C C 64 174.700 174.399 0.301 1
1 741 . 15 1 1 A 86 86 GLY CA C 64 45.600 46.751 -1.151 1
1 742 . 15 1 1 A 86 86 GLY N N 64 107.420 111.671 -4.251 1
1 743 . 15 1 1 A 87 87 GLY H H 65 9.280 8.245 1.035 1
1 744 . 15 1 1 A 87 87 GLY HA2 H 65 4.860 3.955 0.905 1
1 745 . 15 1 1 A 87 87 GLY HA3 H 65 4.160 3.973 0.187 1
1 746 . 15 1 1 A 87 87 GLY C C 65 172.640 174.482 -1.842 1
1 747 . 15 1 1 A 87 87 GLY CA C 65 45.630 46.070 -0.440 1
1 748 . 15 1 1 A 87 87 GLY N N 65 111.380 107.458 3.922 1
1 749 . 15 1 1 A 88 88 GLY H H 66 6.610 8.547 -1.937 1
1 750 . 15 1 1 A 88 88 GLY HA2 H 66 4.020 4.002 0.018 1
1 751 . 15 1 1 A 88 88 GLY HA3 H 66 2.360 4.015 -1.655 1
1 752 . 15 1 1 A 88 88 GLY C C 66 172.250 172.790 -0.540 1
1 753 . 15 1 1 A 88 88 GLY CA C 66 43.910 45.215 -1.305 1
1 754 . 15 1 1 A 88 88 GLY N N 66 105.700 110.901 -5.201 1
1 755 . 15 1 1 A 89 89 GLU H H 67 9.230 8.518 0.712 1
1 756 . 15 1 1 A 89 89 GLU HA H 67 5.100 5.167 -0.067 1
1 761 . 15 1 1 A 89 89 GLU C C 67 175.770 174.944 0.826 1
1 762 . 15 1 1 A 89 89 GLU CA C 67 54.540 55.334 -0.794 1
1 763 . 15 1 1 A 89 89 GLU CB C 67 34.710 31.971 2.739 1
1 765 . 15 1 1 A 89 89 GLU N N 67 117.210 120.358 -3.148 1
1 766 . 15 1 1 A 90 90 LEU H H 68 8.470 8.940 -0.470 1
1 767 . 15 1 1 A 90 90 LEU HA H 68 5.050 5.001 0.049 1
1 777 . 15 1 1 A 90 90 LEU C C 68 175.460 174.842 0.618 1
1 778 . 15 1 1 A 90 90 LEU CA C 68 54.160 53.846 0.314 1
1 779 . 15 1 1 A 90 90 LEU CB C 68 44.250 44.328 -0.078 1
1 783 . 15 1 1 A 90 90 LEU N N 68 120.420 125.225 -4.805 1
1 784 . 15 1 1 A 91 91 ALA H H 69 8.880 8.873 0.007 1
1 785 . 15 1 1 A 91 91 ALA HA H 69 5.990 5.380 0.610 1
1 789 . 15 1 1 A 91 91 ALA C C 69 175.300 176.332 -1.032 1
1 790 . 15 1 1 A 91 91 ALA CA C 69 50.340 50.611 -0.271 1
1 791 . 15 1 1 A 91 91 ALA CB C 69 21.140 20.195 0.945 1
1 792 . 15 1 1 A 91 91 ALA N N 69 124.720 130.683 -5.963 1
1 793 . 15 1 1 A 92 92 PHE H H 70 10.090 9.679 0.411 1
1 794 . 15 1 1 A 92 92 PHE HA H 70 4.700 5.072 -0.372 1
1 802 . 15 1 1 A 92 92 PHE CA C 70 56.580 56.915 -0.335 1
1 803 . 15 1 1 A 92 92 PHE CB C 70 40.490 39.529 0.961 1
1 807 . 15 1 1 A 92 92 PHE N N 70 122.920 123.869 -0.949 1
1 808 . 15 1 1 A 93 93 ARG H H 71 9.030 9.083 -0.053 1
1 809 . 15 1 1 A 93 93 ARG HA H 71 4.460 4.464 -0.004 1
1 816 . 15 1 1 A 93 93 ARG C C 71 176.910 175.865 1.045 1
1 817 . 15 1 1 A 93 93 ARG CA C 71 55.080 56.022 -0.942 1
1 818 . 15 1 1 A 93 93 ARG CB C 71 31.950 31.334 0.616 1
1 821 . 15 1 1 A 93 93 ARG N N 71 125.390 124.777 0.613 1
1 822 . 15 1 1 A 94 94 VAL H H 72 8.470 8.182 0.288 1
1 823 . 15 1 1 A 94 94 VAL HA H 72 4.820 4.709 0.111 1
1 831 . 15 1 1 A 94 94 VAL C C 72 176.320 175.994 0.326 1
1 832 . 15 1 1 A 94 94 VAL CA C 72 59.190 58.923 0.267 1
1 833 . 15 1 1 A 94 94 VAL CB C 72 32.550 34.700 -2.150 1
1 836 . 15 1 1 A 94 94 VAL N N 72 119.430 119.601 -0.171 1
1 837 . 15 1 1 A 95 95 GLU H H 73 8.160 8.834 -0.674 1
1 838 . 15 1 1 A 95 95 GLU HA H 73 3.940 4.189 -0.249 1
1 843 . 15 1 1 A 95 95 GLU C C 73 176.560 176.460 0.100 1
1 844 . 15 1 1 A 95 95 GLU CA C 73 59.620 58.313 1.307 1
1 845 . 15 1 1 A 95 95 GLU CB C 73 31.400 29.535 1.865 1
1 847 . 15 1 1 A 95 95 GLU N N 73 116.510 120.381 -3.871 1
1 848 . 15 1 1 A 96 96 ASN H H 74 7.240 7.798 -0.558 1
1 849 . 15 1 1 A 96 96 ASN HA H 74 4.780 5.000 -0.220 1
1 854 . 15 1 1 A 96 96 ASN C C 74 174.960 174.708 0.252 1
1 855 . 15 1 1 A 96 96 ASN CA C 74 51.570 52.522 -0.952 1
1 856 . 15 1 1 A 96 96 ASN CB C 74 40.130 39.593 0.537 1
1 857 . 15 1 1 A 96 96 ASN N N 74 108.930 114.101 -5.171 1
1 859 . 15 1 1 A 97 97 ASP H H 75 8.330 9.082 -0.752 1
1 860 . 15 1 1 A 97 97 ASP HA H 75 4.190 4.548 -0.358 1
1 863 . 15 1 1 A 97 97 ASP C C 75 177.800 178.497 -0.697 1
1 864 . 15 1 1 A 97 97 ASP CA C 75 57.780 56.844 0.936 1
1 865 . 15 1 1 A 97 97 ASP CB C 75 39.230 39.584 -0.354 1
1 866 . 15 1 1 A 97 97 ASP N N 75 120.390 118.404 1.986 1
1 867 . 15 1 1 A 98 98 ALA H H 76 8.090 8.234 -0.144 1
1 868 . 15 1 1 A 98 98 ALA HA H 76 4.210 3.977 0.233 1
1 872 . 15 1 1 A 98 98 ALA C C 76 181.130 179.951 1.179 1
1 873 . 15 1 1 A 98 98 ALA CA C 76 55.160 55.300 -0.140 1
1 874 . 15 1 1 A 98 98 ALA CB C 76 17.440 18.204 -0.764 1
1 875 . 15 1 1 A 98 98 ALA N N 76 122.660 122.030 0.630 1
1 876 . 15 1 1 A 99 99 GLN H H 77 8.110 7.846 0.264 1
1 877 . 15 1 1 A 99 99 GLN HA H 77 4.170 4.054 0.116 1
1 884 . 15 1 1 A 99 99 GLN C C 77 180.190 178.466 1.724 1
1 885 . 15 1 1 A 99 99 GLN CA C 77 58.680 58.561 0.119 1
1 886 . 15 1 1 A 99 99 GLN CB C 77 28.590 28.604 -0.014 1
1 888 . 15 1 1 A 99 99 GLN N N 77 116.870 117.645 -0.775 1
1 890 . 15 1 1 A 100 100 VAL H H 78 7.860 7.645 0.215 1
1 891 . 15 1 1 A 100 100 VAL HA H 78 3.400 3.566 -0.166 1
1 899 . 15 1 1 A 100 100 VAL C C 78 177.510 178.012 -0.502 1
1 900 . 15 1 1 A 100 100 VAL CA C 78 67.800 66.378 1.422 1
1 901 . 15 1 1 A 100 100 VAL CB C 78 30.810 31.607 -0.797 1
1 904 . 15 1 1 A 100 100 VAL N N 78 125.200 120.998 4.202 1
1 905 . 15 1 1 A 101 101 ASP H H 79 7.810 7.884 -0.074 1
1 906 . 15 1 1 A 101 101 ASP HA H 79 4.420 4.196 0.224 1
1 909 . 15 1 1 A 101 101 ASP C C 79 175.010 178.520 -3.510 1
1 910 . 15 1 1 A 101 101 ASP CA C 79 58.490 57.346 1.144 1
1 911 . 15 1 1 A 101 101 ASP CB C 79 40.400 40.842 -0.442 1
1 912 . 15 1 1 A 101 101 ASP N N 79 119.560 120.370 -0.810 1
1 913 . 15 1 1 A 102 102 GLU H H 80 8.620 8.007 0.613 1
1 914 . 15 1 1 A 102 102 GLU HA H 80 4.080 4.023 0.057 1
1 919 . 15 1 1 A 102 102 GLU C C 80 179.540 179.442 0.098 1
1 920 . 15 1 1 A 102 102 GLU CA C 80 59.470 59.325 0.145 1
1 921 . 15 1 1 A 102 102 GLU CB C 80 30.210 29.352 0.858 1
1 923 . 15 1 1 A 102 102 GLU N N 80 121.400 119.021 2.379 1
1 924 . 15 1 1 A 103 103 THR H H 81 8.120 7.643 0.477 1
1 925 . 15 1 1 A 103 103 THR HA H 81 3.660 3.670 -0.010 1
1 930 . 15 1 1 A 103 103 THR C C 81 174.440 176.042 -1.602 1
1 931 . 15 1 1 A 103 103 THR CA C 81 66.990 66.105 0.885 1
1 932 . 15 1 1 A 103 103 THR CB C 81 68.070 68.146 -0.076 1
1 934 . 15 1 1 A 103 103 THR N N 81 118.770 117.832 0.938 1
1 935 . 15 1 1 A 104 104 PHE H H 82 8.340 8.012 0.328 1
1 936 . 15 1 1 A 104 104 PHE HA H 82 3.030 3.952 -0.922 1
1 943 . 15 1 1 A 104 104 PHE C C 82 176.050 177.014 -0.964 1
1 944 . 15 1 1 A 104 104 PHE CA C 82 61.480 62.110 -0.630 1
1 945 . 15 1 1 A 104 104 PHE CB C 82 38.550 38.892 -0.342 1
1 948 . 15 1 1 A 104 104 PHE N N 82 122.350 121.482 0.868 1
1 949 . 15 1 1 A 105 105 ALA H H 83 7.780 8.366 -0.586 1
1 950 . 15 1 1 A 105 105 ALA HA H 83 3.680 4.179 -0.499 1
1 954 . 15 1 1 A 105 105 ALA C C 83 181.410 179.914 1.496 1
1 955 . 15 1 1 A 105 105 ALA CA C 83 54.880 55.061 -0.181 1
1 956 . 15 1 1 A 105 105 ALA CB C 83 18.080 18.446 -0.366 1
1 957 . 15 1 1 A 105 105 ALA N N 83 118.740 121.244 -2.504 1
1 958 . 15 1 1 A 106 106 GLY H H 84 8.120 8.009 0.111 1
1 959 . 15 1 1 A 106 106 GLY HA2 H 84 3.910 3.555 0.355 1
1 960 . 15 1 1 A 106 106 GLY HA3 H 84 3.810 3.579 0.231 1
1 961 . 15 1 1 A 106 106 GLY C C 84 176.780 177.249 -0.469 1
1 962 . 15 1 1 A 106 106 GLY CA C 84 46.910 47.011 -0.101 1
1 963 . 15 1 1 A 106 106 GLY N N 84 107.090 105.042 2.048 1
1 964 . 15 1 1 A 107 107 TRP H H 85 9.240 7.716 1.524 1
1 965 . 15 1 1 A 107 107 TRP HA H 85 4.440 4.559 -0.119 1
1 972 . 15 1 1 A 107 107 TRP C C 85 179.210 178.436 0.774 1
1 973 . 15 1 1 A 107 107 TRP CA C 85 59.190 60.507 -1.317 1
1 974 . 15 1 1 A 107 107 TRP CB C 85 28.450 28.849 -0.399 1
1 978 . 15 1 1 A 107 107 TRP N N 85 124.820 122.049 2.771 1
1 980 . 15 1 1 A 108 108 LYS H H 86 8.610 8.285 0.325 1
1 981 . 15 1 1 A 108 108 LYS HA H 86 3.920 3.902 0.018 1
1 990 . 15 1 1 A 108 108 LYS C C 86 180.980 179.040 1.940 1
1 991 . 15 1 1 A 108 108 LYS CA C 86 60.040 59.385 0.655 1
1 992 . 15 1 1 A 108 108 LYS CB C 86 31.850 32.301 -0.451 1
1 996 . 15 1 1 A 108 108 LYS N N 86 121.490 120.899 0.591 1
1 997 . 15 1 1 A 109 109 ALA H H 87 7.890 7.853 0.037 1
1 998 . 15 1 1 A 109 109 ALA HA H 87 4.150 4.204 -0.054 1
1 1002 . 15 1 1 A 109 109 ALA C C 87 179.050 178.274 0.776 1
1 1003 . 15 1 1 A 109 109 ALA CA C 87 54.670 54.010 0.660 1
1 1004 . 15 1 1 A 109 109 ALA CB C 87 18.010 18.482 -0.472 1
1 1005 . 15 1 1 A 109 109 ALA N N 87 121.920 121.644 0.276 1
1 1006 . 15 1 1 A 110 110 SER H H 88 7.510 7.556 -0.046 1
1 1007 . 15 1 1 A 110 110 SER HA H 88 4.450 4.672 -0.222 1
1 1010 . 15 1 1 A 110 110 SER C C 88 174.140 174.885 -0.745 1
1 1011 . 15 1 1 A 110 110 SER CA C 88 58.750 58.441 0.309 1
1 1012 . 15 1 1 A 110 110 SER CB C 88 63.950 63.590 0.360 1
1 1013 . 15 1 1 A 110 110 SER N N 88 112.390 111.814 0.576 1
1 1014 . 15 1 1 A 111 111 GLY H H 89 7.790 7.746 0.044 1
1 1015 . 15 1 1 A 111 111 GLY HA2 H 89 4.180 3.979 0.201 1
1 1016 . 15 1 1 A 111 111 GLY HA3 H 89 3.700 3.997 -0.297 1
1 1017 . 15 1 1 A 111 111 GLY C C 89 174.520 174.623 -0.103 1
1 1018 . 15 1 1 A 111 111 GLY CA C 89 45.530 46.938 -1.408 1
1 1019 . 15 1 1 A 111 111 GLY N N 89 108.220 110.268 -2.048 1
1 1020 . 15 1 1 A 112 112 VAL H H 90 7.660 7.644 0.016 1
1 1021 . 15 1 1 A 112 112 VAL HA H 90 3.830 4.277 -0.447 1
1 1029 . 15 1 1 A 112 112 VAL C C 90 175.430 176.748 -1.318 1
1 1030 . 15 1 1 A 112 112 VAL CA C 90 63.880 60.864 3.016 1
1 1031 . 15 1 1 A 112 112 VAL CB C 90 32.040 33.202 -1.162 1
1 1034 . 15 1 1 A 112 112 VAL N N 90 122.880 119.722 3.158 1
1 1035 . 15 1 1 A 113 113 ALA H H 91 8.720 8.562 0.158 1
1 1036 . 15 1 1 A 113 113 ALA HA H 91 4.210 4.019 0.191 1
1 1040 . 15 1 1 A 113 113 ALA C C 91 176.290 177.702 -1.412 1
1 1041 . 15 1 1 A 113 113 ALA CA C 91 52.900 55.226 -2.326 1
1 1042 . 15 1 1 A 113 113 ALA CB C 91 19.290 18.804 0.486 1
1 1043 . 15 1 1 A 113 113 ALA N N 91 132.080 129.603 2.477 1
1 1044 . 15 1 1 A 114 114 MET H H 92 8.260 7.613 0.647 1
1 1045 . 15 1 1 A 114 114 MET HA H 92 5.330 4.196 1.134 1
1 1051 . 15 1 1 A 114 114 MET C C 92 176.780 176.293 0.487 1
1 1052 . 15 1 1 A 114 114 MET CA C 92 53.390 56.256 -2.866 1
1 1053 . 15 1 1 A 114 114 MET CB C 92 33.450 31.152 2.298 1
1 1055 . 15 1 1 A 114 114 MET N N 92 116.930 116.654 0.276 1
1 1056 . 15 1 1 A 115 115 LEU H H 93 8.990 8.155 0.835 1
1 1057 . 15 1 1 A 115 115 LEU HA H 93 4.550 4.950 -0.400 1
1 1067 . 15 1 1 A 115 115 LEU C C 93 176.630 175.600 1.030 1
1 1068 . 15 1 1 A 115 115 LEU CA C 93 55.140 53.652 1.488 1
1 1069 . 15 1 1 A 115 115 LEU CB C 93 44.810 42.506 2.304 1
1 1073 . 15 1 1 A 115 115 LEU N N 93 122.250 117.027 5.223 1
1 1074 . 15 1 1 A 116 116 GLN H H 94 8.280 8.352 -0.072 1
1 1075 . 15 1 1 A 116 116 GLN HA H 94 4.700 4.719 -0.019 1
1 1080 . 15 1 1 A 116 116 GLN C C 94 174.860 174.180 0.680 1
1 1081 . 15 1 1 A 116 116 GLN CA C 94 55.600 55.977 -0.377 1
1 1082 . 15 1 1 A 116 116 GLN CB C 94 33.510 32.808 0.702 1
1 1083 . 15 1 1 A 116 116 GLN N N 94 121.140 123.192 -2.052 1
1 1085 . 15 1 1 A 117 117 GLN H H 95 8.490 8.708 -0.218 1
1 1086 . 15 1 1 A 117 117 GLN HA H 95 4.080 4.822 -0.742 1
1 1093 . 15 1 1 A 117 117 GLN CA C 95 54.860 53.278 1.582 1
1 1094 . 15 1 1 A 117 117 GLN CB C 95 26.550 28.877 -2.327 1
1 1096 . 15 1 1 A 117 117 GLN N N 95 125.610 124.901 0.709 1
1 1098 . 15 1 1 A 118 118 PRO HA H 96 4.410 4.603 -0.193 1
1 1103 . 15 1 1 A 118 118 PRO C C 96 176.290 175.784 0.506 1
1 1104 . 15 1 1 A 118 118 PRO CA C 96 64.130 63.011 1.119 1
1 1105 . 15 1 1 A 118 118 PRO CB C 96 30.550 31.543 -0.993 1
1 1107 . 15 1 1 A 119 119 ALA H H 97 8.980 8.383 0.597 1
1 1108 . 15 1 1 A 119 119 ALA HA H 97 4.550 4.982 -0.432 1
1 1112 . 15 1 1 A 119 119 ALA C C 97 175.820 176.465 -0.645 1
1 1113 . 15 1 1 A 119 119 ALA CA C 97 51.100 50.514 0.586 1
1 1114 . 15 1 1 A 119 119 ALA CB C 97 22.150 21.988 0.162 1
1 1115 . 15 1 1 A 119 119 ALA N N 97 126.580 126.466 0.114 1
1 1116 . 15 1 1 A 120 120 LYS H H 98 8.710 8.624 0.086 1
1 1117 . 15 1 1 A 120 120 LYS HA H 98 4.450 4.636 -0.186 1
1 1126 . 15 1 1 A 120 120 LYS C C 98 175.950 175.974 -0.024 1
1 1127 . 15 1 1 A 120 120 LYS CA C 98 56.360 56.333 0.027 1
1 1128 . 15 1 1 A 120 120 LYS CB C 98 32.090 32.461 -0.371 1
1 1132 . 15 1 1 A 120 120 LYS N N 98 121.330 121.848 -0.518 1
1 1133 . 15 1 1 A 121 121 MET H H 99 8.130 8.574 -0.444 1
1 1138 . 15 1 1 A 121 121 MET N N 99 125.590 125.408 0.182 1
1 1139 . 15 1 1 A 122 122 GLU HA H 100 3.890 3.798 0.092 1
1 1144 . 15 1 1 A 122 122 GLU C C 100 176.450 177.992 -1.542 1
1 1145 . 15 1 1 A 122 122 GLU CA C 100 59.740 59.390 0.350 1
1 1146 . 15 1 1 A 122 122 GLU CB C 100 29.200 28.851 0.349 1
1 1148 . 15 1 1 A 123 123 PHE H H 101 6.120 7.238 -1.118 1
1 1149 . 15 1 1 A 123 123 PHE HA H 101 4.430 4.532 -0.102 1
1 1152 . 15 1 1 A 123 123 PHE C C 101 173.950 175.600 -1.650 1
1 1153 . 15 1 1 A 123 123 PHE CA C 101 54.750 57.969 -3.219 1
1 1154 . 15 1 1 A 123 123 PHE CB C 101 38.630 39.089 -0.459 1
1 1155 . 15 1 1 A 123 123 PHE N N 101 108.900 116.736 -7.836 1
1 1156 . 15 1 1 A 124 124 GLY H H 102 6.670 7.087 -0.417 1
1 1157 . 15 1 1 A 124 124 GLY HA2 H 102 4.780 4.109 0.671 1
1 1158 . 15 1 1 A 124 124 GLY HA3 H 102 3.770 4.251 -0.481 1
1 1159 . 15 1 1 A 124 124 GLY C C 102 170.410 171.982 -1.572 1
1 1160 . 15 1 1 A 124 124 GLY CA C 102 44.570 44.301 0.269 1
1 1161 . 15 1 1 A 124 124 GLY N N 102 108.900 106.215 2.685 1
1 1162 . 15 1 1 A 125 125 TYR H H 103 8.210 8.552 -0.342 1
1 1163 . 15 1 1 A 125 125 TYR HA H 103 5.080 4.840 0.240 1
1 1170 . 15 1 1 A 125 125 TYR C C 103 175.980 174.328 1.652 1
1 1171 . 15 1 1 A 125 125 TYR CA C 103 56.530 56.833 -0.303 1
1 1172 . 15 1 1 A 125 125 TYR CB C 103 40.180 38.946 1.234 1
1 1175 . 15 1 1 A 125 125 TYR N N 103 123.360 121.660 1.700 1
1 1176 . 15 1 1 A 126 126 THR H H 104 8.450 8.866 -0.416 1
1 1177 . 15 1 1 A 126 126 THR HA H 104 5.630 5.402 0.228 1
1 1182 . 15 1 1 A 126 126 THR C C 104 170.010 172.809 -2.799 1
1 1183 . 15 1 1 A 126 126 THR CA C 104 58.490 59.977 -1.487 1
1 1184 . 15 1 1 A 126 126 THR CB C 104 72.110 71.797 0.313 1
1 1186 . 15 1 1 A 126 126 THR N N 104 120.720 122.483 -1.763 1
1 1187 . 15 1 1 A 127 127 PHE H H 105 8.170 8.989 -0.819 1
1 1188 . 15 1 1 A 127 127 PHE HA H 105 4.620 5.364 -0.744 1
1 1195 . 15 1 1 A 127 127 PHE C C 105 172.490 173.480 -0.990 1
1 1196 . 15 1 1 A 127 127 PHE CA C 105 56.610 56.705 -0.095 1
1 1197 . 15 1 1 A 127 127 PHE CB C 105 41.710 42.631 -0.921 1
1 1200 . 15 1 1 A 127 127 PHE N N 105 120.530 128.303 -7.773 1
1 1201 . 15 1 1 A 128 128 THR H H 106 8.450 9.007 -0.557 1
1 1202 . 15 1 1 A 128 128 THR HA H 106 5.090 5.082 0.008 1
1 1207 . 15 1 1 A 128 128 THR C C 106 172.750 173.587 -0.837 1
1 1208 . 15 1 1 A 128 128 THR CA C 106 63.340 61.151 2.189 1
1 1209 . 15 1 1 A 128 128 THR CB C 106 70.420 70.598 -0.178 1
1 1211 . 15 1 1 A 128 128 THR N N 106 114.010 121.303 -7.293 1
1 1212 . 15 1 1 A 129 129 ALA H H 107 10.030 9.043 0.987 1
1 1213 . 15 1 1 A 129 129 ALA HA H 107 5.540 5.213 0.327 1
1 1217 . 15 1 1 A 129 129 ALA C C 107 179.620 175.443 4.177 1
1 1218 . 15 1 1 A 129 129 ALA CA C 107 50.640 50.146 0.494 1
1 1219 . 15 1 1 A 129 129 ALA CB C 107 24.570 22.402 2.168 1
1 1220 . 15 1 1 A 129 129 ALA N N 107 135.110 129.907 5.203 1
1 1221 . 15 1 1 A 130 130 ALA H H 108 8.650 8.670 -0.020 1
1 1222 . 15 1 1 A 130 130 ALA HA H 108 5.380 5.469 -0.089 1
1 1226 . 15 1 1 A 130 130 ALA C C 108 175.480 176.205 -0.725 1
1 1227 . 15 1 1 A 130 130 ALA CA C 108 50.100 50.263 -0.163 1
1 1228 . 15 1 1 A 130 130 ALA CB C 108 22.770 22.756 0.014 1
1 1229 . 15 1 1 A 130 130 ALA N N 108 121.150 120.895 0.255 1
1 1230 . 15 1 1 A 131 131 ASP H H 109 8.770 8.726 0.044 1
1 1231 . 15 1 1 A 131 131 ASP HA H 109 3.910 4.468 -0.558 1
1 1234 . 15 1 1 A 131 131 ASP CA C 109 51.290 52.728 -1.438 1
1 1235 . 15 1 1 A 131 131 ASP CB C 109 41.350 40.319 1.031 1
1 1236 . 15 1 1 A 131 131 ASP N N 109 123.100 122.746 0.354 1
1 1237 . 15 1 1 A 132 132 PRO HA H 110 4.140 4.140 0.000 1
1 1242 . 15 1 1 A 132 132 PRO C C 110 176.890 177.320 -0.430 1
1 1243 . 15 1 1 A 132 132 PRO CA C 110 65.730 65.278 0.452 1
1 1244 . 15 1 1 A 132 132 PRO CB C 110 31.850 31.471 0.379 1
1 1246 . 15 1 1 A 133 133 ASP H H 111 8.740 7.527 1.213 1
1 1247 . 15 1 1 A 133 133 ASP HA H 111 4.800 4.641 0.159 1
1 1250 . 15 1 1 A 133 133 ASP C C 111 173.720 175.046 -1.326 1
1 1251 . 15 1 1 A 133 133 ASP CA C 111 54.140 53.315 0.825 1
1 1252 . 15 1 1 A 133 133 ASP CB C 111 42.910 40.924 1.986 1
1 1253 . 15 1 1 A 133 133 ASP N N 111 118.220 115.518 2.702 1
1 1254 . 15 1 1 A 134 134 SER H H 112 8.370 7.784 0.586 1
1 1255 . 15 1 1 A 134 134 SER HA H 112 3.710 4.051 -0.341 1
1 1258 . 15 1 1 A 134 134 SER CA C 112 60.670 58.827 1.843 1
1 1259 . 15 1 1 A 134 134 SER CB C 112 61.430 61.652 -0.222 1
1 1260 . 15 1 1 A 134 134 SER N N 112 109.220 112.569 -3.349 1
1 1261 . 15 1 1 A 135 135 HIS H H 113 8.850 7.895 0.955 1
1 1268 . 15 1 1 A 135 135 HIS N N 113 122.820 118.993 3.827 1
1 1269 . 15 1 1 A 136 136 ARG HA H 114 4.680 4.751 -0.071 1
1 1270 . 15 1 1 A 136 136 ARG C C 114 175.220 175.415 -0.195 1
1 1271 . 15 1 1 A 136 136 ARG CA C 114 57.560 55.634 1.926 1
1 1272 . 15 1 1 A 137 137 LEU H H 115 8.680 9.298 -0.618 1
1 1273 . 15 1 1 A 137 137 LEU HA H 115 5.490 5.162 0.328 1
1 1282 . 15 1 1 A 137 137 LEU C C 115 174.620 174.901 -0.281 1
1 1283 . 15 1 1 A 137 137 LEU CA C 115 52.580 54.183 -1.603 1
1 1284 . 15 1 1 A 137 137 LEU CB C 115 43.070 42.258 0.812 1
1 1287 . 15 1 1 A 137 137 LEU N N 115 123.990 126.890 -2.900 1
1 1288 . 15 1 1 A 138 138 ARG H H 116 9.510 9.381 0.129 1
1 1289 . 15 1 1 A 138 138 ARG HA H 116 5.120 5.031 0.089 1
1 1292 . 15 1 1 A 138 138 ARG C C 116 175.090 174.879 0.211 1
1 1293 . 15 1 1 A 138 138 ARG CA C 116 54.700 55.348 -0.648 1
1 1294 . 15 1 1 A 138 138 ARG CB C 116 33.480 31.278 2.202 1
1 1295 . 15 1 1 A 138 138 ARG N N 116 125.370 126.498 -1.128 1
1 1296 . 15 1 1 A 139 139 VAL H H 117 7.970 8.877 -0.907 1
1 1297 . 15 1 1 A 139 139 VAL HA H 117 5.280 5.213 0.067 1
1 1305 . 15 1 1 A 139 139 VAL C C 117 176.390 175.126 1.264 1
1 1306 . 15 1 1 A 139 139 VAL CA C 117 60.090 61.007 -0.917 1
1 1307 . 15 1 1 A 139 139 VAL CB C 117 32.690 32.717 -0.027 1
1 1310 . 15 1 1 A 139 139 VAL N N 117 128.260 127.772 0.488 1
1 1311 . 15 1 1 A 140 140 TYR H H 118 9.200 9.068 0.132 1
1 1312 . 15 1 1 A 140 140 TYR HA H 118 5.800 5.768 0.032 1
1 1319 . 15 1 1 A 140 140 TYR C C 118 170.820 173.475 -2.655 1
1 1320 . 15 1 1 A 140 140 TYR CA C 118 56.060 55.334 0.726 1
1 1321 . 15 1 1 A 140 140 TYR CB C 118 42.460 41.371 1.089 1
1 1324 . 15 1 1 A 140 140 TYR N N 118 127.020 125.566 1.454 1
1 1325 . 15 1 1 A 141 141 ALA H H 119 8.330 9.168 -0.838 1
1 1326 . 15 1 1 A 141 141 ALA HA H 119 4.560 5.069 -0.509 1
1 1330 . 15 1 1 A 141 141 ALA C C 119 177.150 176.096 1.054 1
1 1331 . 15 1 1 A 141 141 ALA CA C 119 50.530 50.771 -0.241 1
1 1332 . 15 1 1 A 141 141 ALA CB C 119 21.220 21.255 -0.035 1
1 1333 . 15 1 1 A 141 141 ALA N N 119 121.160 122.156 -0.996 1
1 1334 . 15 1 1 A 142 142 PHE H H 120 8.780 9.151 -0.371 1
1 1335 . 15 1 1 A 142 142 PHE HA H 120 4.910 4.925 -0.015 1
1 1340 . 15 1 1 A 142 142 PHE C C 120 175.090 174.135 0.955 1
1 1341 . 15 1 1 A 142 142 PHE CA C 120 57.720 57.524 0.196 1
1 1342 . 15 1 1 A 142 142 PHE CB C 120 40.810 39.595 1.215 1
1 1344 . 15 1 1 A 142 142 PHE N N 120 122.630 126.630 -4.000 1
1 1345 . 15 1 1 A 143 143 ALA H H 121 8.190 8.505 -0.315 1
1 1346 . 15 1 1 A 143 143 ALA HA H 121 4.330 4.461 -0.131 1
1 1350 . 15 1 1 A 143 143 ALA C C 121 176.260 177.268 -1.008 1
1 1351 . 15 1 1 A 143 143 ALA CA C 121 52.280 51.310 0.970 1
1 1352 . 15 1 1 A 143 143 ALA CB C 121 19.310 18.213 1.097 1
1 1353 . 15 1 1 A 143 143 ALA N N 121 129.460 129.948 -0.488 1
1 16 . 16 1 1 A 24 24 THR H H 2 8.350 8.182 0.168 1
1 17 . 16 1 1 A 24 24 THR HA H 2 4.470 4.557 -0.087 1
1 22 . 16 1 1 A 24 24 THR CA C 2 61.890 62.594 -0.704 1
1 23 . 16 1 1 A 24 24 THR CB C 2 69.630 69.798 -0.168 1
1 25 . 16 1 1 A 24 24 THR N N 2 117.720 114.315 3.405 1
1 26 . 16 1 1 A 25 25 HIS H H 3 8.630 9.072 -0.442 1
1 27 . 16 1 1 A 25 25 HIS HA H 3 5.200 4.968 0.232 1
1 30 . 16 1 1 A 25 25 HIS CA C 3 51.620 53.811 -2.191 1
1 31 . 16 1 1 A 25 25 HIS CB C 3 33.320 30.671 2.649 1
1 32 . 16 1 1 A 25 25 HIS N N 3 124.890 125.498 -0.608 1
1 33 . 16 1 1 A 26 26 PRO HA H 4 4.170 4.790 -0.620 1
1 40 . 16 1 1 A 26 26 PRO C C 4 175.740 176.801 -1.061 1
1 41 . 16 1 1 A 26 26 PRO CA C 4 62.740 62.103 0.637 1
1 42 . 16 1 1 A 26 26 PRO CB C 4 31.460 30.134 1.326 1
1 45 . 16 1 1 A 27 27 ASP H H 5 8.270 8.551 -0.281 1
1 46 . 16 1 1 A 27 27 ASP HA H 5 4.810 4.722 0.088 1
1 49 . 16 1 1 A 27 27 ASP C C 5 175.400 175.414 -0.014 1
1 50 . 16 1 1 A 27 27 ASP CA C 5 53.310 53.852 -0.542 1
1 51 . 16 1 1 A 27 27 ASP CB C 5 42.390 40.454 1.936 1
1 52 . 16 1 1 A 27 27 ASP N N 5 119.440 121.045 -1.605 1
1 53 . 16 1 1 A 28 28 PHE H H 6 7.280 7.771 -0.491 1
1 54 . 16 1 1 A 28 28 PHE HA H 6 5.440 5.293 0.147 1
1 61 . 16 1 1 A 28 28 PHE C C 6 174.180 173.504 0.676 1
1 62 . 16 1 1 A 28 28 PHE CA C 6 54.590 56.457 -1.867 1
1 63 . 16 1 1 A 28 28 PHE CB C 6 42.310 42.284 0.026 1
1 66 . 16 1 1 A 28 28 PHE N N 6 118.410 120.475 -2.065 1
1 67 . 16 1 1 A 29 29 THR H H 7 8.500 9.126 -0.626 1
1 68 . 16 1 1 A 29 29 THR HA H 7 4.800 5.040 -0.240 1
1 73 . 16 1 1 A 29 29 THR C C 7 172.280 173.069 -0.789 1
1 74 . 16 1 1 A 29 29 THR CA C 7 62.550 60.158 2.392 1
1 75 . 16 1 1 A 29 29 THR CB C 7 70.420 71.795 -1.375 1
1 77 . 16 1 1 A 29 29 THR N N 7 123.070 121.558 1.512 1
1 78 . 16 1 1 A 30 30 ILE H H 8 9.270 8.836 0.434 1
1 79 . 16 1 1 A 30 30 ILE HA H 8 4.680 5.010 -0.330 1
1 89 . 16 1 1 A 30 30 ILE C C 8 173.970 174.865 -0.895 1
1 90 . 16 1 1 A 30 30 ILE CA C 8 59.220 59.669 -0.449 1
1 91 . 16 1 1 A 30 30 ILE CB C 8 40.210 41.587 -1.377 1
1 95 . 16 1 1 A 30 30 ILE N N 8 126.920 127.189 -0.269 1
1 96 . 16 1 1 A 31 31 LEU H H 9 8.760 8.798 -0.038 1
1 97 . 16 1 1 A 31 31 LEU HA H 9 4.330 5.007 -0.677 1
1 107 . 16 1 1 A 31 31 LEU C C 9 176.520 175.645 0.875 1
1 108 . 16 1 1 A 31 31 LEU CA C 9 52.960 53.539 -0.579 1
1 109 . 16 1 1 A 31 31 LEU CB C 9 41.820 44.236 -2.416 1
1 113 . 16 1 1 A 31 31 LEU N N 9 126.000 126.406 -0.406 1
1 114 . 16 1 1 A 32 32 TYR H H 10 8.190 9.022 -0.832 1
1 115 . 16 1 1 A 32 32 TYR HA H 10 5.980 5.125 0.855 1
1 118 . 16 1 1 A 32 32 TYR C C 10 177.720 176.068 1.652 1
1 119 . 16 1 1 A 32 32 TYR CA C 10 53.120 57.685 -4.565 1
1 120 . 16 1 1 A 32 32 TYR CB C 10 36.560 38.223 -1.663 1
1 121 . 16 1 1 A 32 32 TYR N N 10 122.130 123.479 -1.349 1
1 122 . 16 1 1 A 33 33 VAL H H 11 8.470 8.794 -0.324 1
1 123 . 16 1 1 A 33 33 VAL HA H 11 4.990 5.135 -0.145 1
1 131 . 16 1 1 A 33 33 VAL C C 11 176.030 175.455 0.575 1
1 132 . 16 1 1 A 33 33 VAL CA C 11 58.240 59.634 -1.394 1
1 133 . 16 1 1 A 33 33 VAL CB C 11 35.090 34.520 0.570 1
1 136 . 16 1 1 A 33 33 VAL N N 11 113.820 120.990 -7.170 1
1 137 . 16 1 1 A 34 34 ASP H H 12 9.750 8.991 0.759 1
1 138 . 16 1 1 A 34 34 ASP HA H 12 4.550 4.759 -0.209 1
1 141 . 16 1 1 A 34 34 ASP C C 12 177.230 175.549 1.681 1
1 142 . 16 1 1 A 34 34 ASP CA C 12 58.000 55.526 2.474 1
1 143 . 16 1 1 A 34 34 ASP CB C 12 42.780 41.957 0.823 1
1 144 . 16 1 1 A 34 34 ASP N N 12 124.140 121.342 2.798 1
1 145 . 16 1 1 A 35 35 ASN H H 13 9.250 7.970 1.280 1
1 146 . 16 1 1 A 35 35 ASN HA H 13 5.120 4.916 0.204 1
1 151 . 16 1 1 A 35 35 ASN CA C 13 50.610 49.984 0.626 1
1 152 . 16 1 1 A 35 35 ASN CB C 13 39.920 39.440 0.480 1
1 153 . 16 1 1 A 35 35 ASN N N 13 114.460 117.196 -2.736 1
1 155 . 16 1 1 A 37 37 PRO HA H 15 4.350 4.254 0.096 1
1 162 . 16 1 1 A 37 37 PRO C C 15 179.310 179.201 0.109 1
1 163 . 16 1 1 A 37 37 PRO CA C 15 67.480 66.530 0.950 1
1 164 . 16 1 1 A 37 37 PRO CB C 15 31.340 30.861 0.479 1
1 167 . 16 1 1 A 38 38 ALA H H 16 7.740 8.164 -0.424 1
1 168 . 16 1 1 A 38 38 ALA HA H 16 4.310 4.146 0.164 1
1 172 . 16 1 1 A 38 38 ALA C C 16 182.490 180.121 2.369 1
1 173 . 16 1 1 A 38 38 ALA CA C 16 55.160 55.062 0.098 1
1 174 . 16 1 1 A 38 38 ALA CB C 16 18.360 18.421 -0.061 1
1 175 . 16 1 1 A 38 38 ALA N N 16 121.510 119.493 2.017 1
1 176 . 16 1 1 A 39 39 SER H H 17 8.770 7.659 1.111 1
1 177 . 16 1 1 A 39 39 SER HA H 17 4.190 4.312 -0.122 1
1 180 . 16 1 1 A 39 39 SER C C 17 175.610 177.355 -1.745 1
1 181 . 16 1 1 A 39 39 SER CA C 17 64.260 61.489 2.771 1
1 182 . 16 1 1 A 39 39 SER CB C 17 62.790 63.115 -0.325 1
1 183 . 16 1 1 A 39 39 SER N N 17 117.520 113.773 3.747 1
1 184 . 16 1 1 A 40 40 THR H H 18 9.310 7.847 1.463 1
1 185 . 16 1 1 A 40 40 THR HA H 18 4.480 4.207 0.273 1
1 190 . 16 1 1 A 40 40 THR C C 18 175.590 176.771 -1.181 1
1 191 . 16 1 1 A 40 40 THR CA C 18 68.130 67.459 0.671 1
1 192 . 16 1 1 A 40 40 THR CB C 18 68.480 68.579 -0.099 1
1 194 . 16 1 1 A 40 40 THR N N 18 120.600 117.215 3.385 1
1 195 . 16 1 1 A 41 41 GLN H H 19 7.610 7.714 -0.104 1
1 196 . 16 1 1 A 41 41 GLN HA H 19 4.080 4.142 -0.062 1
1 203 . 16 1 1 A 41 41 GLN C C 19 178.110 177.914 0.196 1
1 204 . 16 1 1 A 41 41 GLN CA C 19 59.170 58.825 0.345 1
1 205 . 16 1 1 A 41 41 GLN CB C 19 28.170 28.408 -0.238 1
1 207 . 16 1 1 A 41 41 GLN N N 19 120.130 119.919 0.211 1
1 209 . 16 1 1 A 42 42 PHE H H 20 7.710 7.951 -0.241 1
1 210 . 16 1 1 A 42 42 PHE HA H 20 4.080 4.198 -0.118 1
1 218 . 16 1 1 A 42 42 PHE C C 20 177.460 177.046 0.414 1
1 219 . 16 1 1 A 42 42 PHE CA C 20 61.760 61.412 0.348 1
1 220 . 16 1 1 A 42 42 PHE CB C 20 38.590 39.035 -0.445 1
1 224 . 16 1 1 A 42 42 PHE N N 20 120.560 122.522 -1.962 1
1 225 . 16 1 1 A 43 43 TYR H H 21 8.890 8.234 0.656 1
1 226 . 16 1 1 A 43 43 TYR HA H 21 3.700 4.302 -0.602 1
1 233 . 16 1 1 A 43 43 TYR C C 21 177.640 178.182 -0.542 1
1 234 . 16 1 1 A 43 43 TYR CA C 21 64.290 61.555 2.735 1
1 235 . 16 1 1 A 43 43 TYR CB C 21 38.110 37.604 0.506 1
1 238 . 16 1 1 A 43 43 TYR N N 21 118.420 117.990 0.430 1
1 239 . 16 1 1 A 44 44 LYS H H 22 8.860 8.058 0.802 1
1 240 . 16 1 1 A 44 44 LYS HA H 22 4.630 3.805 0.825 1
1 249 . 16 1 1 A 44 44 LYS C C 22 179.780 178.806 0.974 1
1 250 . 16 1 1 A 44 44 LYS CA C 22 59.630 59.490 0.140 1
1 251 . 16 1 1 A 44 44 LYS CB C 22 33.210 32.359 0.851 1
1 255 . 16 1 1 A 44 44 LYS N N 22 122.200 120.084 2.116 1
1 256 . 16 1 1 A 45 45 ALA H H 23 7.180 7.489 -0.309 1
1 257 . 16 1 1 A 45 45 ALA HA H 23 4.040 3.980 0.060 1
1 261 . 16 1 1 A 45 45 ALA C C 23 179.130 180.059 -0.929 1
1 262 . 16 1 1 A 45 45 ALA CA C 23 54.350 54.763 -0.413 1
1 263 . 16 1 1 A 45 45 ALA CB C 23 18.030 18.216 -0.186 1
1 264 . 16 1 1 A 45 45 ALA N N 23 120.710 121.858 -1.148 1
1 265 . 16 1 1 A 46 46 LEU H H 24 7.510 7.773 -0.263 1
1 266 . 16 1 1 A 46 46 LEU HA H 24 3.550 3.902 -0.352 1
1 276 . 16 1 1 A 46 46 LEU C C 24 178.680 178.820 -0.140 1
1 277 . 16 1 1 A 46 46 LEU CA C 24 57.910 57.814 0.096 1
1 278 . 16 1 1 A 46 46 LEU CB C 24 43.950 41.116 2.834 1
1 282 . 16 1 1 A 46 46 LEU N N 24 118.650 119.565 -0.915 1
1 283 . 16 1 1 A 47 47 LEU H H 25 8.800 7.645 1.155 1
1 284 . 16 1 1 A 47 47 LEU HA H 25 4.480 4.376 0.104 1
1 294 . 16 1 1 A 47 47 LEU C C 25 178.960 177.102 1.858 1
1 295 . 16 1 1 A 47 47 LEU CA C 25 55.010 56.292 -1.282 1
1 296 . 16 1 1 A 47 47 LEU CB C 25 42.500 42.659 -0.159 1
1 300 . 16 1 1 A 47 47 LEU N N 25 112.540 117.951 -5.411 1
1 301 . 16 1 1 A 48 48 GLY H H 26 7.810 7.768 0.042 1
1 302 . 16 1 1 A 48 48 GLY HA2 H 26 4.030 3.956 0.074 1
1 303 . 16 1 1 A 48 48 GLY HA3 H 26 3.900 3.984 -0.084 1
1 304 . 16 1 1 A 48 48 GLY C C 26 173.560 173.962 -0.402 1
1 305 . 16 1 1 A 48 48 GLY CA C 26 46.810 45.825 0.985 1
1 306 . 16 1 1 A 48 48 GLY N N 26 107.650 106.445 1.205 1
1 307 . 16 1 1 A 49 49 VAL H H 27 7.100 7.297 -0.197 1
1 308 . 16 1 1 A 49 49 VAL HA H 27 4.700 4.741 -0.041 1
1 316 . 16 1 1 A 49 49 VAL C C 27 172.980 174.013 -1.033 1
1 317 . 16 1 1 A 49 49 VAL CA C 27 58.680 59.212 -0.532 1
1 318 . 16 1 1 A 49 49 VAL CB C 27 36.090 35.665 0.425 1
1 321 . 16 1 1 A 49 49 VAL N N 27 110.770 115.299 -4.529 1
1 322 . 16 1 1 A 50 50 ASP H H 28 8.100 8.835 -0.735 1
1 323 . 16 1 1 A 50 50 ASP HA H 28 4.930 5.222 -0.292 1
1 326 . 16 1 1 A 50 50 ASP CA C 28 52.550 50.922 1.628 1
1 327 . 16 1 1 A 50 50 ASP CB C 28 40.520 43.575 -3.055 1
1 328 . 16 1 1 A 50 50 ASP N N 28 119.760 119.719 0.041 1
1 329 . 16 1 1 A 51 51 PRO HA H 29 3.700 4.855 -1.155 1
1 336 . 16 1 1 A 51 51 PRO C C 29 176.580 177.905 -1.325 1
1 337 . 16 1 1 A 51 51 PRO CA C 29 62.900 62.816 0.084 1
1 338 . 16 1 1 A 51 51 PRO CB C 29 30.550 31.826 -1.276 1
1 341 . 16 1 1 A 52 52 VAL H H 30 8.340 8.532 -0.192 1
1 342 . 16 1 1 A 52 52 VAL HA H 30 4.080 3.971 0.109 1
1 350 . 16 1 1 A 52 52 VAL C C 30 176.190 175.598 0.592 1
1 351 . 16 1 1 A 52 52 VAL CA C 30 62.790 64.390 -1.600 1
1 352 . 16 1 1 A 52 52 VAL CB C 30 32.280 32.375 -0.095 1
1 355 . 16 1 1 A 52 52 VAL N N 30 117.320 125.219 -7.899 1
1 356 . 16 1 1 A 53 53 GLU H H 31 7.170 7.757 -0.587 1
1 357 . 16 1 1 A 53 53 GLU HA H 31 4.580 4.790 -0.210 1
1 362 . 16 1 1 A 53 53 GLU C C 31 174.940 175.144 -0.204 1
1 363 . 16 1 1 A 53 53 GLU CA C 31 55.330 55.000 0.330 1
1 364 . 16 1 1 A 53 53 GLU CB C 31 33.370 31.508 1.862 1
1 366 . 16 1 1 A 53 53 GLU N N 31 118.180 120.217 -2.037 1
1 367 . 16 1 1 A 54 54 SER H H 32 8.650 8.835 -0.185 1
1 368 . 16 1 1 A 54 54 SER HA H 32 5.130 5.534 -0.404 1
1 371 . 16 1 1 A 54 54 SER C C 32 171.990 173.737 -1.747 1
1 372 . 16 1 1 A 54 54 SER CA C 32 57.940 55.932 2.008 1
1 373 . 16 1 1 A 54 54 SER CB C 32 64.720 66.267 -1.547 1
1 374 . 16 1 1 A 54 54 SER N N 32 117.210 119.994 -2.784 1
1 375 . 16 1 1 A 55 55 SER H H 33 8.760 8.653 0.107 1
1 376 . 16 1 1 A 55 55 SER N N 33 124.420 117.775 6.645 1
1 377 . 16 1 1 A 56 56 PRO HA H 34 4.320 4.532 -0.212 1
1 382 . 16 1 1 A 56 56 PRO C C 34 177.290 177.088 0.202 1
1 383 . 16 1 1 A 56 56 PRO CA C 34 65.750 64.317 1.433 1
1 384 . 16 1 1 A 56 56 PRO CB C 34 32.490 31.922 0.568 1
1 386 . 16 1 1 A 57 57 THR H H 35 7.810 8.155 -0.345 1
1 387 . 16 1 1 A 57 57 THR HA H 35 4.630 4.794 -0.164 1
1 392 . 16 1 1 A 57 57 THR C C 35 174.080 173.864 0.216 1
1 393 . 16 1 1 A 57 57 THR CA C 35 61.860 61.416 0.444 1
1 394 . 16 1 1 A 57 57 THR CB C 35 70.940 70.481 0.459 1
1 396 . 16 1 1 A 57 57 THR N N 35 101.710 110.953 -9.243 1
1 397 . 16 1 1 A 58 58 PHE H H 36 7.670 7.292 0.378 1
1 398 . 16 1 1 A 58 58 PHE HA H 36 5.780 4.757 1.023 1
1 405 . 16 1 1 A 58 58 PHE CA C 36 57.820 58.141 -0.321 1
1 406 . 16 1 1 A 58 58 PHE CB C 36 43.010 42.222 0.788 1
1 409 . 16 1 1 A 58 58 PHE N N 36 124.370 120.752 3.618 1
1 410 . 16 1 1 A 59 59 SER H H 37 8.070 7.846 0.224 1
1 411 . 16 1 1 A 59 59 SER HA H 37 4.890 4.973 -0.083 1
1 414 . 16 1 1 A 59 59 SER C C 37 170.010 172.259 -2.249 1
1 415 . 16 1 1 A 59 59 SER CA C 37 56.660 56.973 -0.313 1
1 416 . 16 1 1 A 59 59 SER CB C 37 67.490 66.171 1.319 1
1 417 . 16 1 1 A 59 59 SER N N 37 122.930 119.659 3.271 1
1 418 . 16 1 1 A 60 60 LEU H H 38 8.140 8.620 -0.480 1
1 419 . 16 1 1 A 60 60 LEU HA H 38 4.810 4.621 0.189 1
1 429 . 16 1 1 A 60 60 LEU C C 38 174.000 174.817 -0.817 1
1 430 . 16 1 1 A 60 60 LEU CA C 38 53.750 53.512 0.238 1
1 431 . 16 1 1 A 60 60 LEU CB C 38 47.250 45.645 1.605 1
1 435 . 16 1 1 A 60 60 LEU N N 38 122.030 125.616 -3.586 1
1 436 . 16 1 1 A 61 61 PHE H H 39 9.460 8.103 1.357 1
1 437 . 16 1 1 A 61 61 PHE HA H 39 4.580 5.641 -1.061 1
1 444 . 16 1 1 A 61 61 PHE C C 39 174.390 173.185 1.205 1
1 445 . 16 1 1 A 61 61 PHE CA C 39 57.180 55.158 2.022 1
1 446 . 16 1 1 A 61 61 PHE CB C 39 41.570 42.799 -1.229 1
1 449 . 16 1 1 A 61 61 PHE N N 39 124.820 122.318 2.502 1
1 450 . 16 1 1 A 62 62 VAL H H 40 8.640 8.852 -0.212 1
1 451 . 16 1 1 A 62 62 VAL HA H 40 4.260 4.855 -0.595 1
1 459 . 16 1 1 A 62 62 VAL C C 40 175.380 174.830 0.550 1
1 460 . 16 1 1 A 62 62 VAL CA C 40 62.520 60.575 1.945 1
1 461 . 16 1 1 A 62 62 VAL CB C 40 32.470 34.773 -2.303 1
1 464 . 16 1 1 A 62 62 VAL N N 40 122.650 120.702 1.948 1
1 465 . 16 1 1 A 63 63 LEU H H 41 8.710 8.567 0.143 1
1 466 . 16 1 1 A 63 63 LEU HA H 41 4.590 4.785 -0.195 1
1 476 . 16 1 1 A 63 63 LEU CA C 41 53.560 53.344 0.216 1
1 477 . 16 1 1 A 63 63 LEU CB C 41 41.600 42.945 -1.345 1
1 481 . 16 1 1 A 63 63 LEU N N 41 126.170 127.266 -1.096 1
1 482 . 16 1 1 A 64 64 ALA HA H 42 4.040 4.081 -0.041 1
1 486 . 16 1 1 A 64 64 ALA CA C 42 55.050 54.426 0.624 1
1 487 . 16 1 1 A 64 64 ALA CB C 42 18.580 18.480 0.100 1
1 488 . 16 1 1 A 65 65 ASN H H 43 7.680 7.891 -0.211 1
1 489 . 16 1 1 A 65 65 ASN HA H 43 4.520 4.685 -0.165 1
1 494 . 16 1 1 A 65 65 ASN C C 43 175.860 175.783 0.077 1
1 495 . 16 1 1 A 65 65 ASN CA C 43 52.530 53.410 -0.880 1
1 496 . 16 1 1 A 65 65 ASN CB C 43 37.800 38.678 -0.878 1
1 497 . 16 1 1 A 65 65 ASN N N 43 112.130 114.935 -2.805 1
1 499 . 16 1 1 A 66 66 GLY H H 44 8.070 8.065 0.005 1
1 500 . 16 1 1 A 66 66 GLY HA2 H 44 4.330 3.941 0.389 1
1 501 . 16 1 1 A 66 66 GLY HA3 H 44 3.480 3.948 -0.468 1
1 502 . 16 1 1 A 66 66 GLY C C 44 174.260 174.045 0.215 1
1 503 . 16 1 1 A 66 66 GLY CA C 44 44.930 45.216 -0.286 1
1 504 . 16 1 1 A 66 66 GLY N N 44 107.650 106.577 1.073 1
1 505 . 16 1 1 A 67 67 MET H H 45 7.900 7.716 0.184 1
1 506 . 16 1 1 A 67 67 MET HA H 45 4.420 5.026 -0.606 1
1 514 . 16 1 1 A 67 67 MET CA C 45 55.520 53.138 2.382 1
1 515 . 16 1 1 A 67 67 MET CB C 45 33.630 35.891 -2.261 1
1 518 . 16 1 1 A 67 67 MET N N 45 121.850 116.529 5.321 1
1 519 . 16 1 1 A 68 68 LYS HA H 46 5.040 4.973 0.067 1
1 528 . 16 1 1 A 68 68 LYS C C 46 174.600 174.299 0.301 1
1 529 . 16 1 1 A 68 68 LYS CA C 46 55.410 55.258 0.152 1
1 530 . 16 1 1 A 68 68 LYS CB C 46 34.460 35.984 -1.524 1
1 534 . 16 1 1 A 69 69 LEU H H 47 8.830 8.569 0.261 1
1 535 . 16 1 1 A 69 69 LEU HA H 47 5.450 5.334 0.116 1
1 545 . 16 1 1 A 69 69 LEU C C 47 174.880 174.429 0.451 1
1 546 . 16 1 1 A 69 69 LEU CA C 47 52.980 53.977 -0.997 1
1 547 . 16 1 1 A 69 69 LEU CB C 47 46.560 45.611 0.949 1
1 551 . 16 1 1 A 69 69 LEU N N 47 124.960 125.602 -0.642 1
1 552 . 16 1 1 A 70 70 GLY H H 48 9.580 9.326 0.254 1
1 553 . 16 1 1 A 70 70 GLY HA2 H 48 5.220 3.805 1.415 1
1 554 . 16 1 1 A 70 70 GLY HA3 H 48 3.090 4.271 -1.181 1
1 555 . 16 1 1 A 70 70 GLY C C 48 170.590 171.521 -0.931 1
1 556 . 16 1 1 A 70 70 GLY CA C 48 43.370 43.821 -0.451 1
1 557 . 16 1 1 A 70 70 GLY N N 48 113.940 114.197 -0.257 1
1 558 . 16 1 1 A 71 71 LEU H H 49 8.250 8.460 -0.210 1
1 559 . 16 1 1 A 71 71 LEU HA H 49 5.150 4.791 0.359 1
1 569 . 16 1 1 A 71 71 LEU C C 49 173.920 174.567 -0.647 1
1 570 . 16 1 1 A 71 71 LEU CA C 49 52.770 53.152 -0.382 1
1 571 . 16 1 1 A 71 71 LEU CB C 49 43.100 42.982 0.118 1
1 575 . 16 1 1 A 71 71 LEU N N 49 122.270 122.309 -0.039 1
1 576 . 16 1 1 A 72 72 TRP H H 50 8.960 8.800 0.160 1
1 577 . 16 1 1 A 72 72 TRP HA H 50 5.860 5.577 0.283 1
1 584 . 16 1 1 A 72 72 TRP C C 50 175.740 175.582 0.158 1
1 585 . 16 1 1 A 72 72 TRP CA C 50 53.170 55.369 -2.199 1
1 586 . 16 1 1 A 72 72 TRP CB C 50 34.990 31.963 3.027 1
1 590 . 16 1 1 A 72 72 TRP N N 50 125.010 128.215 -3.205 1
1 592 . 16 1 1 A 73 73 SER H H 51 9.010 8.927 0.083 1
1 593 . 16 1 1 A 73 73 SER HA H 51 4.570 5.173 -0.603 1
1 596 . 16 1 1 A 73 73 SER C C 51 176.240 176.328 -0.088 1
1 597 . 16 1 1 A 73 73 SER CA C 51 58.490 59.850 -1.360 1
1 598 . 16 1 1 A 73 73 SER CB C 51 63.770 63.213 0.557 1
1 599 . 16 1 1 A 73 73 SER N N 51 120.380 124.015 -3.635 1
1 600 . 16 1 1 A 74 74 ARG H H 52 9.420 8.904 0.516 1
1 601 . 16 1 1 A 74 74 ARG HA H 52 3.460 4.295 -0.835 1
1 608 . 16 1 1 A 74 74 ARG C C 52 175.610 176.717 -1.107 1
1 609 . 16 1 1 A 74 74 ARG CA C 52 57.590 58.237 -0.647 1
1 610 . 16 1 1 A 74 74 ARG CB C 52 28.900 29.732 -0.832 1
1 613 . 16 1 1 A 74 74 ARG N N 52 128.770 126.097 2.673 1
1 614 . 16 1 1 A 75 75 HIS H H 53 7.910 8.300 -0.390 1
1 615 . 16 1 1 A 75 75 HIS HA H 53 4.310 4.567 -0.257 1
1 619 . 16 1 1 A 75 75 HIS C C 53 176.610 175.477 1.133 1
1 620 . 16 1 1 A 75 75 HIS CA C 53 57.190 57.097 0.093 1
1 621 . 16 1 1 A 75 75 HIS CB C 53 31.260 29.488 1.772 1
1 623 . 16 1 1 A 75 75 HIS N N 53 117.320 117.503 -0.183 1
1 624 . 16 1 1 A 76 76 THR H H 54 7.360 7.956 -0.596 1
1 625 . 16 1 1 A 76 76 THR HA H 54 4.540 4.475 0.065 1
1 630 . 16 1 1 A 76 76 THR C C 54 175.120 174.319 0.801 1
1 631 . 16 1 1 A 76 76 THR CA C 54 61.840 61.403 0.437 1
1 632 . 16 1 1 A 76 76 THR CB C 54 69.680 70.954 -1.274 1
1 634 . 16 1 1 A 76 76 THR N N 54 107.350 113.819 -6.469 1
1 635 . 16 1 1 A 77 77 VAL H H 55 6.630 7.540 -0.910 1
1 636 . 16 1 1 A 77 77 VAL HA H 55 2.700 3.878 -1.178 1
1 644 . 16 1 1 A 77 77 VAL C C 55 173.920 175.047 -1.127 1
1 645 . 16 1 1 A 77 77 VAL CA C 55 63.500 62.531 0.969 1
1 646 . 16 1 1 A 77 77 VAL CB C 55 31.270 32.293 -1.023 1
1 649 . 16 1 1 A 77 77 VAL N N 55 123.760 122.332 1.428 1
1 650 . 16 1 1 A 78 78 GLU H H 56 6.010 8.378 -2.368 1
1 651 . 16 1 1 A 78 78 GLU HA H 56 4.160 4.781 -0.621 1
1 656 . 16 1 1 A 78 78 GLU CA C 56 53.120 52.867 0.253 1
1 657 . 16 1 1 A 78 78 GLU CB C 56 32.240 31.149 1.091 1
1 659 . 16 1 1 A 78 78 GLU N N 56 124.820 128.319 -3.499 1
1 660 . 16 1 1 A 79 79 PRO HA H 57 4.620 4.607 0.013 1
1 667 . 16 1 1 A 79 79 PRO C C 57 176.190 176.541 -0.351 1
1 668 . 16 1 1 A 79 79 PRO CA C 57 61.890 62.336 -0.446 1
1 669 . 16 1 1 A 79 79 PRO CB C 57 33.620 32.202 1.418 1
1 672 . 16 1 1 A 80 80 LYS H H 58 8.340 8.293 0.047 1
1 673 . 16 1 1 A 80 80 LYS HA H 58 3.880 4.444 -0.564 1
1 682 . 16 1 1 A 80 80 LYS C C 58 177.100 175.258 1.842 1
1 683 . 16 1 1 A 80 80 LYS CA C 58 57.610 56.830 0.780 1
1 684 . 16 1 1 A 80 80 LYS CB C 58 32.400 32.649 -0.249 1
1 688 . 16 1 1 A 80 80 LYS N N 58 121.510 122.575 -1.065 1
1 689 . 16 1 1 A 81 81 ALA H H 59 8.430 8.632 -0.202 1
1 690 . 16 1 1 A 81 81 ALA HA H 59 4.870 4.851 0.019 1
1 694 . 16 1 1 A 81 81 ALA C C 59 177.460 175.659 1.801 1
1 695 . 16 1 1 A 81 81 ALA CA C 59 51.020 50.487 0.533 1
1 696 . 16 1 1 A 81 81 ALA CB C 59 22.910 20.211 2.699 1
1 697 . 16 1 1 A 81 81 ALA N N 59 129.030 130.654 -1.624 1
1 698 . 16 1 1 A 82 82 SER H H 60 9.680 8.873 0.807 1
1 699 . 16 1 1 A 82 82 SER HA H 60 4.510 4.922 -0.412 1
1 702 . 16 1 1 A 82 82 SER C C 60 172.960 173.293 -0.333 1
1 703 . 16 1 1 A 82 82 SER CA C 60 58.350 58.009 0.341 1
1 704 . 16 1 1 A 82 82 SER CB C 60 65.150 62.475 2.675 1
1 705 . 16 1 1 A 82 82 SER N N 60 115.930 121.425 -5.495 1
1 706 . 16 1 1 A 83 83 VAL H H 61 7.450 8.056 -0.606 1
1 707 . 16 1 1 A 83 83 VAL HA H 61 4.260 4.552 -0.292 1
1 715 . 16 1 1 A 83 83 VAL CA C 61 60.940 60.441 0.499 1
1 716 . 16 1 1 A 83 83 VAL CB C 61 35.360 34.430 0.930 1
1 719 . 16 1 1 A 83 83 VAL N N 61 121.550 123.476 -1.926 1
1 720 . 16 1 1 A 84 84 THR H H 62 7.850 8.619 -0.769 1
1 721 . 16 1 1 A 84 84 THR HA H 62 4.750 4.860 -0.110 1
1 726 . 16 1 1 A 84 84 THR C C 62 174.040 174.483 -0.443 1
1 727 . 16 1 1 A 84 84 THR CA C 62 59.370 60.283 -0.913 1
1 728 . 16 1 1 A 84 84 THR CB C 62 68.800 71.561 -2.761 1
1 730 . 16 1 1 A 84 84 THR N N 62 111.040 118.261 -7.221 1
1 731 . 16 1 1 A 85 85 GLY H H 63 7.950 8.459 -0.509 1
1 732 . 16 1 1 A 85 85 GLY HA2 H 63 3.480 3.963 -0.483 1
1 733 . 16 1 1 A 85 85 GLY HA3 H 63 2.950 3.964 -1.014 1
1 734 . 16 1 1 A 85 85 GLY C C 63 174.140 175.021 -0.881 1
1 735 . 16 1 1 A 85 85 GLY CA C 63 45.490 46.117 -0.627 1
1 736 . 16 1 1 A 85 85 GLY N N 63 109.700 109.902 -0.202 1
1 737 . 16 1 1 A 86 86 GLY H H 64 8.530 8.303 0.227 1
1 738 . 16 1 1 A 86 86 GLY HA2 H 64 4.550 3.979 0.571 1
1 739 . 16 1 1 A 86 86 GLY HA3 H 64 3.700 4.000 -0.300 1
1 740 . 16 1 1 A 86 86 GLY C C 64 174.700 174.820 -0.120 1
1 741 . 16 1 1 A 86 86 GLY CA C 64 45.600 45.187 0.413 1
1 742 . 16 1 1 A 86 86 GLY N N 64 107.420 109.404 -1.984 1
1 743 . 16 1 1 A 87 87 GLY H H 65 9.280 8.083 1.197 1
1 744 . 16 1 1 A 87 87 GLY HA2 H 65 4.860 3.915 0.945 1
1 745 . 16 1 1 A 87 87 GLY HA3 H 65 4.160 3.988 0.172 1
1 746 . 16 1 1 A 87 87 GLY C C 65 172.640 174.554 -1.914 1
1 747 . 16 1 1 A 87 87 GLY CA C 65 45.630 46.558 -0.928 1
1 748 . 16 1 1 A 87 87 GLY N N 65 111.380 108.428 2.952 1
1 749 . 16 1 1 A 88 88 GLY H H 66 6.610 7.974 -1.364 1
1 750 . 16 1 1 A 88 88 GLY HA2 H 66 4.020 4.136 -0.116 1
1 751 . 16 1 1 A 88 88 GLY HA3 H 66 2.360 4.155 -1.795 1
1 752 . 16 1 1 A 88 88 GLY C C 66 172.250 173.157 -0.907 1
1 753 . 16 1 1 A 88 88 GLY CA C 66 43.910 44.793 -0.883 1
1 754 . 16 1 1 A 88 88 GLY N N 66 105.700 108.862 -3.162 1
1 755 . 16 1 1 A 89 89 GLU H H 67 9.230 8.588 0.642 1
1 756 . 16 1 1 A 89 89 GLU HA H 67 5.100 5.275 -0.175 1
1 761 . 16 1 1 A 89 89 GLU C C 67 175.770 174.710 1.060 1
1 762 . 16 1 1 A 89 89 GLU CA C 67 54.540 55.411 -0.871 1
1 763 . 16 1 1 A 89 89 GLU CB C 67 34.710 31.637 3.073 1
1 765 . 16 1 1 A 89 89 GLU N N 67 117.210 119.912 -2.702 1
1 766 . 16 1 1 A 90 90 LEU H H 68 8.470 9.213 -0.743 1
1 767 . 16 1 1 A 90 90 LEU HA H 68 5.050 5.054 -0.004 1
1 777 . 16 1 1 A 90 90 LEU C C 68 175.460 174.906 0.554 1
1 778 . 16 1 1 A 90 90 LEU CA C 68 54.160 53.905 0.255 1
1 779 . 16 1 1 A 90 90 LEU CB C 68 44.250 44.348 -0.098 1
1 783 . 16 1 1 A 90 90 LEU N N 68 120.420 126.430 -6.010 1
1 784 . 16 1 1 A 91 91 ALA H H 69 8.880 8.842 0.038 1
1 785 . 16 1 1 A 91 91 ALA HA H 69 5.990 5.029 0.961 1
1 789 . 16 1 1 A 91 91 ALA C C 69 175.300 176.588 -1.288 1
1 790 . 16 1 1 A 91 91 ALA CA C 69 50.340 50.598 -0.258 1
1 791 . 16 1 1 A 91 91 ALA CB C 69 21.140 20.026 1.114 1
1 792 . 16 1 1 A 91 91 ALA N N 69 124.720 130.410 -5.690 1
1 793 . 16 1 1 A 92 92 PHE H H 70 10.090 9.749 0.341 1
1 794 . 16 1 1 A 92 92 PHE HA H 70 4.700 5.189 -0.489 1
1 802 . 16 1 1 A 92 92 PHE CA C 70 56.580 57.506 -0.926 1
1 803 . 16 1 1 A 92 92 PHE CB C 70 40.490 40.131 0.359 1
1 807 . 16 1 1 A 92 92 PHE N N 70 122.920 123.911 -0.991 1
1 808 . 16 1 1 A 93 93 ARG H H 71 9.030 9.166 -0.136 1
1 809 . 16 1 1 A 93 93 ARG HA H 71 4.460 4.739 -0.279 1
1 816 . 16 1 1 A 93 93 ARG C C 71 176.910 176.013 0.897 1
1 817 . 16 1 1 A 93 93 ARG CA C 71 55.080 56.319 -1.239 1
1 818 . 16 1 1 A 93 93 ARG CB C 71 31.950 31.445 0.505 1
1 821 . 16 1 1 A 93 93 ARG N N 71 125.390 124.728 0.662 1
1 822 . 16 1 1 A 94 94 VAL H H 72 8.470 8.655 -0.185 1
1 823 . 16 1 1 A 94 94 VAL HA H 72 4.820 4.729 0.091 1
1 831 . 16 1 1 A 94 94 VAL C C 72 176.320 175.995 0.325 1
1 832 . 16 1 1 A 94 94 VAL CA C 72 59.190 58.897 0.293 1
1 833 . 16 1 1 A 94 94 VAL CB C 72 32.550 34.925 -2.375 1
1 836 . 16 1 1 A 94 94 VAL N N 72 119.430 119.817 -0.387 1
1 837 . 16 1 1 A 95 95 GLU H H 73 8.160 8.821 -0.661 1
1 838 . 16 1 1 A 95 95 GLU HA H 73 3.940 4.159 -0.219 1
1 843 . 16 1 1 A 95 95 GLU C C 73 176.560 176.472 0.088 1
1 844 . 16 1 1 A 95 95 GLU CA C 73 59.620 58.554 1.066 1
1 845 . 16 1 1 A 95 95 GLU CB C 73 31.400 29.587 1.813 1
1 847 . 16 1 1 A 95 95 GLU N N 73 116.510 120.502 -3.992 1
1 848 . 16 1 1 A 96 96 ASN H H 74 7.240 7.758 -0.518 1
1 849 . 16 1 1 A 96 96 ASN HA H 74 4.780 4.979 -0.199 1
1 854 . 16 1 1 A 96 96 ASN C C 74 174.960 174.606 0.354 1
1 855 . 16 1 1 A 96 96 ASN CA C 74 51.570 52.641 -1.071 1
1 856 . 16 1 1 A 96 96 ASN CB C 74 40.130 39.207 0.923 1
1 857 . 16 1 1 A 96 96 ASN N N 74 108.930 114.069 -5.139 1
1 859 . 16 1 1 A 97 97 ASP H H 75 8.330 9.029 -0.699 1
1 860 . 16 1 1 A 97 97 ASP HA H 75 4.190 4.314 -0.124 1
1 863 . 16 1 1 A 97 97 ASP C C 75 177.800 178.377 -0.577 1
1 864 . 16 1 1 A 97 97 ASP CA C 75 57.780 56.621 1.159 1
1 865 . 16 1 1 A 97 97 ASP CB C 75 39.230 39.385 -0.155 1
1 866 . 16 1 1 A 97 97 ASP N N 75 120.390 118.031 2.359 1
1 867 . 16 1 1 A 98 98 ALA H H 76 8.090 8.011 0.079 1
1 868 . 16 1 1 A 98 98 ALA HA H 76 4.210 3.921 0.289 1
1 872 . 16 1 1 A 98 98 ALA C C 76 181.130 179.841 1.289 1
1 873 . 16 1 1 A 98 98 ALA CA C 76 55.160 54.972 0.188 1
1 874 . 16 1 1 A 98 98 ALA CB C 76 17.440 17.672 -0.232 1
1 875 . 16 1 1 A 98 98 ALA N N 76 122.660 121.567 1.093 1
1 876 . 16 1 1 A 99 99 GLN H H 77 8.110 7.517 0.593 1
1 877 . 16 1 1 A 99 99 GLN HA H 77 4.170 4.029 0.141 1
1 884 . 16 1 1 A 99 99 GLN C C 77 180.190 178.519 1.671 1
1 885 . 16 1 1 A 99 99 GLN CA C 77 58.680 58.583 0.097 1
1 886 . 16 1 1 A 99 99 GLN CB C 77 28.590 28.507 0.083 1
1 888 . 16 1 1 A 99 99 GLN N N 77 116.870 118.124 -1.254 1
1 890 . 16 1 1 A 100 100 VAL H H 78 7.860 7.564 0.296 1
1 891 . 16 1 1 A 100 100 VAL HA H 78 3.400 3.541 -0.141 1
1 899 . 16 1 1 A 100 100 VAL C C 78 177.510 178.085 -0.575 1
1 900 . 16 1 1 A 100 100 VAL CA C 78 67.800 66.386 1.414 1
1 901 . 16 1 1 A 100 100 VAL CB C 78 30.810 31.647 -0.837 1
1 904 . 16 1 1 A 100 100 VAL N N 78 125.200 120.946 4.254 1
1 905 . 16 1 1 A 101 101 ASP H H 79 7.810 7.727 0.083 1
1 906 . 16 1 1 A 101 101 ASP HA H 79 4.420 4.217 0.203 1
1 909 . 16 1 1 A 101 101 ASP C C 79 175.010 178.540 -3.530 1
1 910 . 16 1 1 A 101 101 ASP CA C 79 58.490 57.242 1.248 1
1 911 . 16 1 1 A 101 101 ASP CB C 79 40.400 40.799 -0.399 1
1 912 . 16 1 1 A 101 101 ASP N N 79 119.560 120.353 -0.793 1
1 913 . 16 1 1 A 102 102 GLU H H 80 8.620 8.010 0.610 1
1 914 . 16 1 1 A 102 102 GLU HA H 80 4.080 4.024 0.056 1
1 919 . 16 1 1 A 102 102 GLU C C 80 179.540 179.447 0.093 1
1 920 . 16 1 1 A 102 102 GLU CA C 80 59.470 59.223 0.247 1
1 921 . 16 1 1 A 102 102 GLU CB C 80 30.210 29.430 0.780 1
1 923 . 16 1 1 A 102 102 GLU N N 80 121.400 118.993 2.407 1
1 924 . 16 1 1 A 103 103 THR H H 81 8.120 7.795 0.325 1
1 925 . 16 1 1 A 103 103 THR HA H 81 3.660 3.732 -0.072 1
1 930 . 16 1 1 A 103 103 THR C C 81 174.440 176.054 -1.614 1
1 931 . 16 1 1 A 103 103 THR CA C 81 66.990 66.132 0.858 1
1 932 . 16 1 1 A 103 103 THR CB C 81 68.070 68.257 -0.187 1
1 934 . 16 1 1 A 103 103 THR N N 81 118.770 118.754 0.016 1
1 935 . 16 1 1 A 104 104 PHE H H 82 8.340 7.911 0.429 1
1 936 . 16 1 1 A 104 104 PHE HA H 82 3.030 3.396 -0.366 1
1 943 . 16 1 1 A 104 104 PHE C C 82 176.050 176.740 -0.690 1
1 944 . 16 1 1 A 104 104 PHE CA C 82 61.480 61.852 -0.372 1
1 945 . 16 1 1 A 104 104 PHE CB C 82 38.550 38.711 -0.161 1
1 948 . 16 1 1 A 104 104 PHE N N 82 122.350 121.335 1.015 1
1 949 . 16 1 1 A 105 105 ALA H H 83 7.780 8.420 -0.640 1
1 950 . 16 1 1 A 105 105 ALA HA H 83 3.680 3.834 -0.154 1
1 954 . 16 1 1 A 105 105 ALA C C 83 181.410 179.922 1.488 1
1 955 . 16 1 1 A 105 105 ALA CA C 83 54.880 54.879 0.001 1
1 956 . 16 1 1 A 105 105 ALA CB C 83 18.080 18.301 -0.221 1
1 957 . 16 1 1 A 105 105 ALA N N 83 118.740 120.948 -2.208 1
1 958 . 16 1 1 A 106 106 GLY H H 84 8.120 8.047 0.073 1
1 959 . 16 1 1 A 106 106 GLY HA2 H 84 3.910 3.540 0.370 1
1 960 . 16 1 1 A 106 106 GLY HA3 H 84 3.810 3.554 0.256 1
1 961 . 16 1 1 A 106 106 GLY C C 84 176.780 177.114 -0.334 1
1 962 . 16 1 1 A 106 106 GLY CA C 84 46.910 47.087 -0.177 1
1 963 . 16 1 1 A 106 106 GLY N N 84 107.090 104.897 2.193 1
1 964 . 16 1 1 A 107 107 TRP H H 85 9.240 7.648 1.592 1
1 965 . 16 1 1 A 107 107 TRP HA H 85 4.440 4.644 -0.204 1
1 972 . 16 1 1 A 107 107 TRP C C 85 179.210 178.371 0.839 1
1 973 . 16 1 1 A 107 107 TRP CA C 85 59.190 60.612 -1.422 1
1 974 . 16 1 1 A 107 107 TRP CB C 85 28.450 29.156 -0.706 1
1 978 . 16 1 1 A 107 107 TRP N N 85 124.820 121.898 2.922 1
1 980 . 16 1 1 A 108 108 LYS H H 86 8.610 8.288 0.322 1
1 981 . 16 1 1 A 108 108 LYS HA H 86 3.920 3.978 -0.058 1
1 990 . 16 1 1 A 108 108 LYS C C 86 180.980 178.430 2.550 1
1 991 . 16 1 1 A 108 108 LYS CA C 86 60.040 59.403 0.637 1
1 992 . 16 1 1 A 108 108 LYS CB C 86 31.850 32.168 -0.318 1
1 996 . 16 1 1 A 108 108 LYS N N 86 121.490 121.267 0.223 1
1 997 . 16 1 1 A 109 109 ALA H H 87 7.890 7.829 0.061 1
1 998 . 16 1 1 A 109 109 ALA HA H 87 4.150 4.126 0.024 1
1 1002 . 16 1 1 A 109 109 ALA C C 87 179.050 178.390 0.660 1
1 1003 . 16 1 1 A 109 109 ALA CA C 87 54.670 54.555 0.115 1
1 1004 . 16 1 1 A 109 109 ALA CB C 87 18.010 18.170 -0.160 1
1 1005 . 16 1 1 A 109 109 ALA N N 87 121.920 121.445 0.475 1
1 1006 . 16 1 1 A 110 110 SER H H 88 7.510 7.449 0.061 1
1 1007 . 16 1 1 A 110 110 SER HA H 88 4.450 4.608 -0.158 1
1 1010 . 16 1 1 A 110 110 SER C C 88 174.140 174.576 -0.436 1
1 1011 . 16 1 1 A 110 110 SER CA C 88 58.750 58.279 0.471 1
1 1012 . 16 1 1 A 110 110 SER CB C 88 63.950 63.370 0.580 1
1 1013 . 16 1 1 A 110 110 SER N N 88 112.390 111.517 0.873 1
1 1014 . 16 1 1 A 111 111 GLY H H 89 7.790 8.041 -0.251 1
1 1015 . 16 1 1 A 111 111 GLY HA2 H 89 4.180 3.983 0.197 1
1 1016 . 16 1 1 A 111 111 GLY HA3 H 89 3.700 3.997 -0.297 1
1 1017 . 16 1 1 A 111 111 GLY C C 89 174.520 174.605 -0.085 1
1 1018 . 16 1 1 A 111 111 GLY CA C 89 45.530 46.904 -1.374 1
1 1019 . 16 1 1 A 111 111 GLY N N 89 108.220 110.374 -2.154 1
1 1020 . 16 1 1 A 112 112 VAL H H 90 7.660 7.703 -0.043 1
1 1021 . 16 1 1 A 112 112 VAL HA H 90 3.830 4.278 -0.448 1
1 1029 . 16 1 1 A 112 112 VAL C C 90 175.430 176.174 -0.744 1
1 1030 . 16 1 1 A 112 112 VAL CA C 90 63.880 61.802 2.078 1
1 1031 . 16 1 1 A 112 112 VAL CB C 90 32.040 32.946 -0.906 1
1 1034 . 16 1 1 A 112 112 VAL N N 90 122.880 120.166 2.714 1
1 1035 . 16 1 1 A 113 113 ALA H H 91 8.720 8.581 0.139 1
1 1036 . 16 1 1 A 113 113 ALA HA H 91 4.210 4.026 0.184 1
1 1040 . 16 1 1 A 113 113 ALA C C 91 176.290 178.048 -1.758 1
1 1041 . 16 1 1 A 113 113 ALA CA C 91 52.900 55.488 -2.588 1
1 1042 . 16 1 1 A 113 113 ALA CB C 91 19.290 18.347 0.943 1
1 1043 . 16 1 1 A 113 113 ALA N N 91 132.080 127.704 4.376 1
1 1044 . 16 1 1 A 114 114 MET H H 92 8.260 7.751 0.509 1
1 1045 . 16 1 1 A 114 114 MET HA H 92 5.330 4.316 1.014 1
1 1051 . 16 1 1 A 114 114 MET C C 92 176.780 176.473 0.307 1
1 1052 . 16 1 1 A 114 114 MET CA C 92 53.390 56.179 -2.789 1
1 1053 . 16 1 1 A 114 114 MET CB C 92 33.450 30.368 3.082 1
1 1055 . 16 1 1 A 114 114 MET N N 92 116.930 116.941 -0.011 1
1 1056 . 16 1 1 A 115 115 LEU H H 93 8.990 8.177 0.813 1
1 1057 . 16 1 1 A 115 115 LEU HA H 93 4.550 4.980 -0.430 1
1 1067 . 16 1 1 A 115 115 LEU C C 93 176.630 175.693 0.937 1
1 1068 . 16 1 1 A 115 115 LEU CA C 93 55.140 53.763 1.377 1
1 1069 . 16 1 1 A 115 115 LEU CB C 93 44.810 43.001 1.809 1
1 1073 . 16 1 1 A 115 115 LEU N N 93 122.250 119.314 2.936 1
1 1074 . 16 1 1 A 116 116 GLN H H 94 8.280 8.382 -0.102 1
1 1075 . 16 1 1 A 116 116 GLN HA H 94 4.700 4.606 0.094 1
1 1080 . 16 1 1 A 116 116 GLN C C 94 174.860 174.265 0.595 1
1 1081 . 16 1 1 A 116 116 GLN CA C 94 55.600 55.974 -0.374 1
1 1082 . 16 1 1 A 116 116 GLN CB C 94 33.510 32.022 1.488 1
1 1083 . 16 1 1 A 116 116 GLN N N 94 121.140 123.429 -2.289 1
1 1085 . 16 1 1 A 117 117 GLN H H 95 8.490 8.623 -0.133 1
1 1086 . 16 1 1 A 117 117 GLN HA H 95 4.080 4.505 -0.425 1
1 1093 . 16 1 1 A 117 117 GLN CA C 95 54.860 54.073 0.787 1
1 1094 . 16 1 1 A 117 117 GLN CB C 95 26.550 28.626 -2.076 1
1 1096 . 16 1 1 A 117 117 GLN N N 95 125.610 126.517 -0.907 1
1 1098 . 16 1 1 A 118 118 PRO HA H 96 4.410 4.659 -0.249 1
1 1103 . 16 1 1 A 118 118 PRO C C 96 176.290 175.713 0.577 1
1 1104 . 16 1 1 A 118 118 PRO CA C 96 64.130 62.917 1.213 1
1 1105 . 16 1 1 A 118 118 PRO CB C 96 30.550 31.125 -0.575 1
1 1107 . 16 1 1 A 119 119 ALA H H 97 8.980 8.120 0.860 1
1 1108 . 16 1 1 A 119 119 ALA HA H 97 4.550 4.748 -0.198 1
1 1112 . 16 1 1 A 119 119 ALA C C 97 175.820 175.987 -0.167 1
1 1113 . 16 1 1 A 119 119 ALA CA C 97 51.100 50.283 0.817 1
1 1114 . 16 1 1 A 119 119 ALA CB C 97 22.150 22.168 -0.018 1
1 1115 . 16 1 1 A 119 119 ALA N N 97 126.580 125.688 0.892 1
1 1116 . 16 1 1 A 120 120 LYS H H 98 8.710 8.385 0.325 1
1 1117 . 16 1 1 A 120 120 LYS HA H 98 4.450 4.565 -0.115 1
1 1126 . 16 1 1 A 120 120 LYS C C 98 175.950 175.652 0.298 1
1 1127 . 16 1 1 A 120 120 LYS CA C 98 56.360 56.182 0.178 1
1 1128 . 16 1 1 A 120 120 LYS CB C 98 32.090 32.934 -0.844 1
1 1132 . 16 1 1 A 120 120 LYS N N 98 121.330 122.365 -1.035 1
1 1133 . 16 1 1 A 121 121 MET H H 99 8.130 8.574 -0.444 1
1 1138 . 16 1 1 A 121 121 MET N N 99 125.590 127.582 -1.992 1
1 1139 . 16 1 1 A 122 122 GLU HA H 100 3.890 3.795 0.095 1
1 1144 . 16 1 1 A 122 122 GLU C C 100 176.450 177.987 -1.537 1
1 1145 . 16 1 1 A 122 122 GLU CA C 100 59.740 59.256 0.484 1
1 1146 . 16 1 1 A 122 122 GLU CB C 100 29.200 28.967 0.233 1
1 1148 . 16 1 1 A 123 123 PHE H H 101 6.120 7.866 -1.746 1
1 1149 . 16 1 1 A 123 123 PHE HA H 101 4.430 4.323 0.107 1
1 1152 . 16 1 1 A 123 123 PHE C C 101 173.950 175.323 -1.373 1
1 1153 . 16 1 1 A 123 123 PHE CA C 101 54.750 57.899 -3.149 1
1 1154 . 16 1 1 A 123 123 PHE CB C 101 38.630 39.636 -1.006 1
1 1155 . 16 1 1 A 123 123 PHE N N 101 108.900 116.772 -7.872 1
1 1156 . 16 1 1 A 124 124 GLY H H 102 6.670 7.160 -0.490 1
1 1157 . 16 1 1 A 124 124 GLY HA2 H 102 4.780 4.079 0.701 1
1 1158 . 16 1 1 A 124 124 GLY HA3 H 102 3.770 4.159 -0.389 1
1 1159 . 16 1 1 A 124 124 GLY C C 102 170.410 171.685 -1.275 1
1 1160 . 16 1 1 A 124 124 GLY CA C 102 44.570 44.596 -0.026 1
1 1161 . 16 1 1 A 124 124 GLY N N 102 108.900 106.061 2.839 1
1 1162 . 16 1 1 A 125 125 TYR H H 103 8.210 8.475 -0.265 1
1 1163 . 16 1 1 A 125 125 TYR HA H 103 5.080 4.964 0.116 1
1 1170 . 16 1 1 A 125 125 TYR C C 103 175.980 174.406 1.574 1
1 1171 . 16 1 1 A 125 125 TYR CA C 103 56.530 56.996 -0.466 1
1 1172 . 16 1 1 A 125 125 TYR CB C 103 40.180 38.863 1.317 1
1 1175 . 16 1 1 A 125 125 TYR N N 103 123.360 121.722 1.638 1
1 1176 . 16 1 1 A 126 126 THR H H 104 8.450 8.523 -0.073 1
1 1177 . 16 1 1 A 126 126 THR HA H 104 5.630 5.532 0.098 1
1 1182 . 16 1 1 A 126 126 THR C C 104 170.010 172.318 -2.308 1
1 1183 . 16 1 1 A 126 126 THR CA C 104 58.490 59.687 -1.197 1
1 1184 . 16 1 1 A 126 126 THR CB C 104 72.110 72.553 -0.443 1
1 1186 . 16 1 1 A 126 126 THR N N 104 120.720 122.053 -1.333 1
1 1187 . 16 1 1 A 127 127 PHE H H 105 8.170 9.024 -0.854 1
1 1188 . 16 1 1 A 127 127 PHE HA H 105 4.620 5.350 -0.730 1
1 1195 . 16 1 1 A 127 127 PHE C C 105 172.490 173.398 -0.908 1
1 1196 . 16 1 1 A 127 127 PHE CA C 105 56.610 56.731 -0.121 1
1 1197 . 16 1 1 A 127 127 PHE CB C 105 41.710 43.415 -1.705 1
1 1200 . 16 1 1 A 127 127 PHE N N 105 120.530 127.794 -7.264 1
1 1201 . 16 1 1 A 128 128 THR H H 106 8.450 8.562 -0.112 1
1 1202 . 16 1 1 A 128 128 THR HA H 106 5.090 5.165 -0.075 1
1 1207 . 16 1 1 A 128 128 THR C C 106 172.750 173.450 -0.700 1
1 1208 . 16 1 1 A 128 128 THR CA C 106 63.340 60.685 2.655 1
1 1209 . 16 1 1 A 128 128 THR CB C 106 70.420 72.317 -1.897 1
1 1211 . 16 1 1 A 128 128 THR N N 106 114.010 119.020 -5.010 1
1 1212 . 16 1 1 A 129 129 ALA H H 107 10.030 8.960 1.070 1
1 1213 . 16 1 1 A 129 129 ALA HA H 107 5.540 5.357 0.183 1
1 1217 . 16 1 1 A 129 129 ALA C C 107 179.620 175.696 3.924 1
1 1218 . 16 1 1 A 129 129 ALA CA C 107 50.640 50.341 0.299 1
1 1219 . 16 1 1 A 129 129 ALA CB C 107 24.570 22.505 2.065 1
1 1220 . 16 1 1 A 129 129 ALA N N 107 135.110 128.492 6.618 1
1 1221 . 16 1 1 A 130 130 ALA H H 108 8.650 8.713 -0.063 1
1 1222 . 16 1 1 A 130 130 ALA HA H 108 5.380 5.540 -0.160 1
1 1226 . 16 1 1 A 130 130 ALA C C 108 175.480 176.191 -0.711 1
1 1227 . 16 1 1 A 130 130 ALA CA C 108 50.100 50.223 -0.123 1
1 1228 . 16 1 1 A 130 130 ALA CB C 108 22.770 22.702 0.068 1
1 1229 . 16 1 1 A 130 130 ALA N N 108 121.150 121.040 0.110 1
1 1230 . 16 1 1 A 131 131 ASP H H 109 8.770 8.723 0.047 1
1 1231 . 16 1 1 A 131 131 ASP HA H 109 3.910 4.410 -0.500 1
1 1234 . 16 1 1 A 131 131 ASP CA C 109 51.290 52.641 -1.351 1
1 1235 . 16 1 1 A 131 131 ASP CB C 109 41.350 40.353 0.997 1
1 1236 . 16 1 1 A 131 131 ASP N N 109 123.100 123.027 0.073 1
1 1237 . 16 1 1 A 132 132 PRO HA H 110 4.140 4.151 -0.011 1
1 1242 . 16 1 1 A 132 132 PRO C C 110 176.890 177.929 -1.039 1
1 1243 . 16 1 1 A 132 132 PRO CA C 110 65.730 65.270 0.460 1
1 1244 . 16 1 1 A 132 132 PRO CB C 110 31.850 31.331 0.519 1
1 1246 . 16 1 1 A 133 133 ASP H H 111 8.740 7.594 1.146 1
1 1247 . 16 1 1 A 133 133 ASP HA H 111 4.800 4.542 0.258 1
1 1250 . 16 1 1 A 133 133 ASP C C 111 173.720 175.651 -1.931 1
1 1251 . 16 1 1 A 133 133 ASP CA C 111 54.140 54.595 -0.455 1
1 1252 . 16 1 1 A 133 133 ASP CB C 111 42.910 40.891 2.019 1
1 1253 . 16 1 1 A 133 133 ASP N N 111 118.220 115.834 2.386 1
1 1254 . 16 1 1 A 134 134 SER H H 112 8.370 7.689 0.681 1
1 1255 . 16 1 1 A 134 134 SER HA H 112 3.710 4.091 -0.381 1
1 1258 . 16 1 1 A 134 134 SER CA C 112 60.670 58.853 1.817 1
1 1259 . 16 1 1 A 134 134 SER CB C 112 61.430 61.908 -0.478 1
1 1260 . 16 1 1 A 134 134 SER N N 112 109.220 112.390 -3.170 1
1 1261 . 16 1 1 A 135 135 HIS H H 113 8.850 8.260 0.590 1
1 1268 . 16 1 1 A 135 135 HIS N N 113 122.820 122.656 0.164 1
1 1269 . 16 1 1 A 136 136 ARG HA H 114 4.680 4.546 0.134 1
1 1270 . 16 1 1 A 136 136 ARG C C 114 175.220 174.901 0.319 1
1 1271 . 16 1 1 A 136 136 ARG CA C 114 57.560 55.382 2.178 1
1 1272 . 16 1 1 A 137 137 LEU H H 115 8.680 8.772 -0.092 1
1 1273 . 16 1 1 A 137 137 LEU HA H 115 5.490 5.214 0.276 1
1 1282 . 16 1 1 A 137 137 LEU C C 115 174.620 176.171 -1.551 1
1 1283 . 16 1 1 A 137 137 LEU CA C 115 52.580 54.276 -1.696 1
1 1284 . 16 1 1 A 137 137 LEU CB C 115 43.070 42.215 0.855 1
1 1287 . 16 1 1 A 137 137 LEU N N 115 123.990 127.575 -3.585 1
1 1288 . 16 1 1 A 138 138 ARG H H 116 9.510 9.026 0.484 1
1 1289 . 16 1 1 A 138 138 ARG HA H 116 5.120 4.856 0.264 1
1 1292 . 16 1 1 A 138 138 ARG C C 116 175.090 175.568 -0.478 1
1 1293 . 16 1 1 A 138 138 ARG CA C 116 54.700 55.956 -1.256 1
1 1294 . 16 1 1 A 138 138 ARG CB C 116 33.480 31.582 1.898 1
1 1295 . 16 1 1 A 138 138 ARG N N 116 125.370 124.827 0.543 1
1 1296 . 16 1 1 A 139 139 VAL H H 117 7.970 8.786 -0.816 1
1 1297 . 16 1 1 A 139 139 VAL HA H 117 5.280 5.065 0.215 1
1 1305 . 16 1 1 A 139 139 VAL C C 117 176.390 175.229 1.161 1
1 1306 . 16 1 1 A 139 139 VAL CA C 117 60.090 61.709 -1.619 1
1 1307 . 16 1 1 A 139 139 VAL CB C 117 32.690 34.259 -1.569 1
1 1310 . 16 1 1 A 139 139 VAL N N 117 128.260 122.573 5.687 1
1 1311 . 16 1 1 A 140 140 TYR H H 118 9.200 8.940 0.260 1
1 1312 . 16 1 1 A 140 140 TYR HA H 118 5.800 5.812 -0.012 1
1 1319 . 16 1 1 A 140 140 TYR C C 118 170.820 173.802 -2.982 1
1 1320 . 16 1 1 A 140 140 TYR CA C 118 56.060 55.179 0.881 1
1 1321 . 16 1 1 A 140 140 TYR CB C 118 42.460 41.710 0.750 1
1 1324 . 16 1 1 A 140 140 TYR N N 118 127.020 124.697 2.323 1
1 1325 . 16 1 1 A 141 141 ALA H H 119 8.330 8.906 -0.576 1
1 1326 . 16 1 1 A 141 141 ALA HA H 119 4.560 4.893 -0.333 1
1 1330 . 16 1 1 A 141 141 ALA C C 119 177.150 175.873 1.277 1
1 1331 . 16 1 1 A 141 141 ALA CA C 119 50.530 50.929 -0.399 1
1 1332 . 16 1 1 A 141 141 ALA CB C 119 21.220 21.396 -0.176 1
1 1333 . 16 1 1 A 141 141 ALA N N 119 121.160 122.203 -1.043 1
1 1334 . 16 1 1 A 142 142 PHE H H 120 8.780 9.041 -0.261 1
1 1335 . 16 1 1 A 142 142 PHE HA H 120 4.910 5.020 -0.110 1
1 1340 . 16 1 1 A 142 142 PHE C C 120 175.090 173.975 1.115 1
1 1341 . 16 1 1 A 142 142 PHE CA C 120 57.720 58.051 -0.331 1
1 1342 . 16 1 1 A 142 142 PHE CB C 120 40.810 39.611 1.199 1
1 1344 . 16 1 1 A 142 142 PHE N N 120 122.630 126.332 -3.702 1
1 1345 . 16 1 1 A 143 143 ALA H H 121 8.190 8.279 -0.089 1
1 1346 . 16 1 1 A 143 143 ALA HA H 121 4.330 4.568 -0.238 1
1 1350 . 16 1 1 A 143 143 ALA C C 121 176.260 176.270 -0.010 1
1 1351 . 16 1 1 A 143 143 ALA CA C 121 52.280 50.857 1.423 1
1 1352 . 16 1 1 A 143 143 ALA CB C 121 19.310 19.101 0.209 1
1 1353 . 16 1 1 A 143 143 ALA N N 121 129.460 130.197 -0.737 1
1 16 . 17 1 1 A 24 24 THR H H 2 8.350 8.011 0.339 1
1 17 . 17 1 1 A 24 24 THR HA H 2 4.470 4.459 0.011 1
1 22 . 17 1 1 A 24 24 THR CA C 2 61.890 62.878 -0.988 1
1 23 . 17 1 1 A 24 24 THR CB C 2 69.630 69.712 -0.082 1
1 25 . 17 1 1 A 24 24 THR N N 2 117.720 114.443 3.277 1
1 26 . 17 1 1 A 25 25 HIS H H 3 8.630 9.062 -0.432 1
1 27 . 17 1 1 A 25 25 HIS HA H 3 5.200 4.920 0.280 1
1 30 . 17 1 1 A 25 25 HIS CA C 3 51.620 53.650 -2.030 1
1 31 . 17 1 1 A 25 25 HIS CB C 3 33.320 30.597 2.723 1
1 32 . 17 1 1 A 25 25 HIS N N 3 124.890 124.397 0.493 1
1 33 . 17 1 1 A 26 26 PRO HA H 4 4.170 4.581 -0.411 1
1 40 . 17 1 1 A 26 26 PRO C C 4 175.740 176.409 -0.669 1
1 41 . 17 1 1 A 26 26 PRO CA C 4 62.740 62.725 0.015 1
1 42 . 17 1 1 A 26 26 PRO CB C 4 31.460 29.623 1.837 1
1 45 . 17 1 1 A 27 27 ASP H H 5 8.270 8.333 -0.063 1
1 46 . 17 1 1 A 27 27 ASP HA H 5 4.810 4.599 0.211 1
1 49 . 17 1 1 A 27 27 ASP C C 5 175.400 175.532 -0.132 1
1 50 . 17 1 1 A 27 27 ASP CA C 5 53.310 54.588 -1.278 1
1 51 . 17 1 1 A 27 27 ASP CB C 5 42.390 39.871 2.519 1
1 52 . 17 1 1 A 27 27 ASP N N 5 119.440 119.860 -0.420 1
1 53 . 17 1 1 A 28 28 PHE H H 6 7.280 7.895 -0.615 1
1 54 . 17 1 1 A 28 28 PHE HA H 6 5.440 5.181 0.259 1
1 61 . 17 1 1 A 28 28 PHE C C 6 174.180 173.427 0.753 1
1 62 . 17 1 1 A 28 28 PHE CA C 6 54.590 55.696 -1.106 1
1 63 . 17 1 1 A 28 28 PHE CB C 6 42.310 42.095 0.215 1
1 66 . 17 1 1 A 28 28 PHE N N 6 118.410 120.711 -2.301 1
1 67 . 17 1 1 A 29 29 THR H H 7 8.500 9.227 -0.727 1
1 68 . 17 1 1 A 29 29 THR HA H 7 4.800 5.149 -0.349 1
1 73 . 17 1 1 A 29 29 THR C C 7 172.280 172.761 -0.481 1
1 74 . 17 1 1 A 29 29 THR CA C 7 62.550 59.691 2.859 1
1 75 . 17 1 1 A 29 29 THR CB C 7 70.420 71.309 -0.889 1
1 77 . 17 1 1 A 29 29 THR N N 7 123.070 121.977 1.093 1
1 78 . 17 1 1 A 30 30 ILE H H 8 9.270 9.090 0.180 1
1 79 . 17 1 1 A 30 30 ILE HA H 8 4.680 4.752 -0.072 1
1 89 . 17 1 1 A 30 30 ILE C C 8 173.970 175.171 -1.201 1
1 90 . 17 1 1 A 30 30 ILE CA C 8 59.220 59.948 -0.728 1
1 91 . 17 1 1 A 30 30 ILE CB C 8 40.210 41.168 -0.958 1
1 95 . 17 1 1 A 30 30 ILE N N 8 126.920 127.945 -1.025 1
1 96 . 17 1 1 A 31 31 LEU H H 9 8.760 8.490 0.270 1
1 97 . 17 1 1 A 31 31 LEU HA H 9 4.330 4.794 -0.464 1
1 107 . 17 1 1 A 31 31 LEU C C 9 176.520 175.268 1.252 1
1 108 . 17 1 1 A 31 31 LEU CA C 9 52.960 53.957 -0.997 1
1 109 . 17 1 1 A 31 31 LEU CB C 9 41.820 43.112 -1.292 1
1 113 . 17 1 1 A 31 31 LEU N N 9 126.000 128.250 -2.250 1
1 114 . 17 1 1 A 32 32 TYR H H 10 8.190 8.800 -0.610 1
1 115 . 17 1 1 A 32 32 TYR HA H 10 5.980 5.353 0.627 1
1 118 . 17 1 1 A 32 32 TYR C C 10 177.720 174.151 3.569 1
1 119 . 17 1 1 A 32 32 TYR CA C 10 53.120 55.142 -2.022 1
1 120 . 17 1 1 A 32 32 TYR CB C 10 36.560 40.634 -4.074 1
1 121 . 17 1 1 A 32 32 TYR N N 10 122.130 125.066 -2.936 1
1 122 . 17 1 1 A 33 33 VAL H H 11 8.470 8.584 -0.114 1
1 123 . 17 1 1 A 33 33 VAL HA H 11 4.990 4.957 0.033 1
1 131 . 17 1 1 A 33 33 VAL C C 11 176.030 175.009 1.021 1
1 132 . 17 1 1 A 33 33 VAL CA C 11 58.240 58.934 -0.694 1
1 133 . 17 1 1 A 33 33 VAL CB C 11 35.090 34.788 0.302 1
1 136 . 17 1 1 A 33 33 VAL N N 11 113.820 123.034 -9.214 1
1 137 . 17 1 1 A 34 34 ASP H H 12 9.750 9.071 0.679 1
1 138 . 17 1 1 A 34 34 ASP HA H 12 4.550 4.581 -0.031 1
1 141 . 17 1 1 A 34 34 ASP C C 12 177.230 175.601 1.629 1
1 142 . 17 1 1 A 34 34 ASP CA C 12 58.000 55.661 2.339 1
1 143 . 17 1 1 A 34 34 ASP CB C 12 42.780 41.715 1.065 1
1 144 . 17 1 1 A 34 34 ASP N N 12 124.140 121.155 2.985 1
1 145 . 17 1 1 A 35 35 ASN H H 13 9.250 7.732 1.518 1
1 146 . 17 1 1 A 35 35 ASN HA H 13 5.120 4.941 0.179 1
1 151 . 17 1 1 A 35 35 ASN CA C 13 50.610 49.981 0.629 1
1 152 . 17 1 1 A 35 35 ASN CB C 13 39.920 38.880 1.040 1
1 153 . 17 1 1 A 35 35 ASN N N 13 114.460 116.564 -2.104 1
1 155 . 17 1 1 A 37 37 PRO HA H 15 4.350 4.267 0.083 1
1 162 . 17 1 1 A 37 37 PRO C C 15 179.310 179.403 -0.093 1
1 163 . 17 1 1 A 37 37 PRO CA C 15 67.480 66.534 0.946 1
1 164 . 17 1 1 A 37 37 PRO CB C 15 31.340 30.875 0.465 1
1 167 . 17 1 1 A 38 38 ALA H H 16 7.740 8.245 -0.505 1
1 168 . 17 1 1 A 38 38 ALA HA H 16 4.310 4.108 0.202 1
1 172 . 17 1 1 A 38 38 ALA C C 16 182.490 180.029 2.461 1
1 173 . 17 1 1 A 38 38 ALA CA C 16 55.160 55.253 -0.093 1
1 174 . 17 1 1 A 38 38 ALA CB C 16 18.360 18.266 0.094 1
1 175 . 17 1 1 A 38 38 ALA N N 16 121.510 119.381 2.129 1
1 176 . 17 1 1 A 39 39 SER H H 17 8.770 7.719 1.051 1
1 177 . 17 1 1 A 39 39 SER HA H 17 4.190 4.390 -0.200 1
1 180 . 17 1 1 A 39 39 SER C C 17 175.610 177.327 -1.717 1
1 181 . 17 1 1 A 39 39 SER CA C 17 64.260 61.165 3.095 1
1 182 . 17 1 1 A 39 39 SER CB C 17 62.790 63.242 -0.452 1
1 183 . 17 1 1 A 39 39 SER N N 17 117.520 113.649 3.871 1
1 184 . 17 1 1 A 40 40 THR H H 18 9.310 7.774 1.536 1
1 185 . 17 1 1 A 40 40 THR HA H 18 4.480 4.183 0.297 1
1 190 . 17 1 1 A 40 40 THR C C 18 175.590 177.212 -1.622 1
1 191 . 17 1 1 A 40 40 THR CA C 18 68.130 66.748 1.382 1
1 192 . 17 1 1 A 40 40 THR CB C 18 68.480 68.474 0.006 1
1 194 . 17 1 1 A 40 40 THR N N 18 120.600 116.289 4.311 1
1 195 . 17 1 1 A 41 41 GLN H H 19 7.610 7.921 -0.311 1
1 196 . 17 1 1 A 41 41 GLN HA H 19 4.080 4.128 -0.048 1
1 203 . 17 1 1 A 41 41 GLN C C 19 178.110 177.692 0.418 1
1 204 . 17 1 1 A 41 41 GLN CA C 19 59.170 58.751 0.419 1
1 205 . 17 1 1 A 41 41 GLN CB C 19 28.170 28.514 -0.344 1
1 207 . 17 1 1 A 41 41 GLN N N 19 120.130 120.191 -0.061 1
1 209 . 17 1 1 A 42 42 PHE H H 20 7.710 7.723 -0.013 1
1 210 . 17 1 1 A 42 42 PHE HA H 20 4.080 4.181 -0.101 1
1 218 . 17 1 1 A 42 42 PHE C C 20 177.460 176.938 0.522 1
1 219 . 17 1 1 A 42 42 PHE CA C 20 61.760 61.351 0.409 1
1 220 . 17 1 1 A 42 42 PHE CB C 20 38.590 39.030 -0.440 1
1 224 . 17 1 1 A 42 42 PHE N N 20 120.560 122.431 -1.871 1
1 225 . 17 1 1 A 43 43 TYR H H 21 8.890 8.016 0.874 1
1 226 . 17 1 1 A 43 43 TYR HA H 21 3.700 3.940 -0.240 1
1 233 . 17 1 1 A 43 43 TYR C C 21 177.640 177.997 -0.357 1
1 234 . 17 1 1 A 43 43 TYR CA C 21 64.290 61.281 3.009 1
1 235 . 17 1 1 A 43 43 TYR CB C 21 38.110 37.220 0.890 1
1 238 . 17 1 1 A 43 43 TYR N N 21 118.420 117.405 1.015 1
1 239 . 17 1 1 A 44 44 LYS H H 22 8.860 7.892 0.968 1
1 240 . 17 1 1 A 44 44 LYS HA H 22 4.630 3.716 0.914 1
1 249 . 17 1 1 A 44 44 LYS C C 22 179.780 179.155 0.625 1
1 250 . 17 1 1 A 44 44 LYS CA C 22 59.630 59.529 0.101 1
1 251 . 17 1 1 A 44 44 LYS CB C 22 33.210 32.351 0.859 1
1 255 . 17 1 1 A 44 44 LYS N N 22 122.200 120.038 2.162 1
1 256 . 17 1 1 A 45 45 ALA H H 23 7.180 7.460 -0.280 1
1 257 . 17 1 1 A 45 45 ALA HA H 23 4.040 4.022 0.018 1
1 261 . 17 1 1 A 45 45 ALA C C 23 179.130 180.104 -0.974 1
1 262 . 17 1 1 A 45 45 ALA CA C 23 54.350 54.725 -0.375 1
1 263 . 17 1 1 A 45 45 ALA CB C 23 18.030 18.393 -0.363 1
1 264 . 17 1 1 A 45 45 ALA N N 23 120.710 121.601 -0.891 1
1 265 . 17 1 1 A 46 46 LEU H H 24 7.510 7.552 -0.042 1
1 266 . 17 1 1 A 46 46 LEU HA H 24 3.550 3.963 -0.413 1
1 276 . 17 1 1 A 46 46 LEU C C 24 178.680 178.555 0.125 1
1 277 . 17 1 1 A 46 46 LEU CA C 24 57.910 57.523 0.387 1
1 278 . 17 1 1 A 46 46 LEU CB C 24 43.950 41.257 2.693 1
1 282 . 17 1 1 A 46 46 LEU N N 24 118.650 120.150 -1.500 1
1 283 . 17 1 1 A 47 47 LEU H H 25 8.800 7.608 1.192 1
1 284 . 17 1 1 A 47 47 LEU HA H 25 4.480 4.456 0.024 1
1 294 . 17 1 1 A 47 47 LEU C C 25 178.960 177.396 1.564 1
1 295 . 17 1 1 A 47 47 LEU CA C 25 55.010 55.643 -0.633 1
1 296 . 17 1 1 A 47 47 LEU CB C 25 42.500 42.834 -0.334 1
1 300 . 17 1 1 A 47 47 LEU N N 25 112.540 117.233 -4.693 1
1 301 . 17 1 1 A 48 48 GLY H H 26 7.810 8.143 -0.333 1
1 302 . 17 1 1 A 48 48 GLY HA2 H 26 4.030 3.903 0.127 1
1 303 . 17 1 1 A 48 48 GLY HA3 H 26 3.900 3.925 -0.025 1
1 304 . 17 1 1 A 48 48 GLY C C 26 173.560 174.014 -0.454 1
1 305 . 17 1 1 A 48 48 GLY CA C 26 46.810 46.310 0.500 1
1 306 . 17 1 1 A 48 48 GLY N N 26 107.650 107.004 0.646 1
1 307 . 17 1 1 A 49 49 VAL H H 27 7.100 7.355 -0.255 1
1 308 . 17 1 1 A 49 49 VAL HA H 27 4.700 4.833 -0.133 1
1 316 . 17 1 1 A 49 49 VAL C C 27 172.980 173.741 -0.761 1
1 317 . 17 1 1 A 49 49 VAL CA C 27 58.680 59.036 -0.356 1
1 318 . 17 1 1 A 49 49 VAL CB C 27 36.090 36.276 -0.186 1
1 321 . 17 1 1 A 49 49 VAL N N 27 110.770 114.822 -4.052 1
1 322 . 17 1 1 A 50 50 ASP H H 28 8.100 8.957 -0.857 1
1 323 . 17 1 1 A 50 50 ASP HA H 28 4.930 5.145 -0.215 1
1 326 . 17 1 1 A 50 50 ASP CA C 28 52.550 51.492 1.058 1
1 327 . 17 1 1 A 50 50 ASP CB C 28 40.520 44.067 -3.547 1
1 328 . 17 1 1 A 50 50 ASP N N 28 119.760 119.368 0.392 1
1 329 . 17 1 1 A 51 51 PRO HA H 29 3.700 5.107 -1.407 1
1 336 . 17 1 1 A 51 51 PRO C C 29 176.580 177.655 -1.075 1
1 337 . 17 1 1 A 51 51 PRO CA C 29 62.900 62.851 0.049 1
1 338 . 17 1 1 A 51 51 PRO CB C 29 30.550 31.791 -1.241 1
1 341 . 17 1 1 A 52 52 VAL H H 30 8.340 8.318 0.022 1
1 342 . 17 1 1 A 52 52 VAL HA H 30 4.080 4.073 0.007 1
1 350 . 17 1 1 A 52 52 VAL C C 30 176.190 175.570 0.620 1
1 351 . 17 1 1 A 52 52 VAL CA C 30 62.790 63.853 -1.063 1
1 352 . 17 1 1 A 52 52 VAL CB C 30 32.280 32.480 -0.200 1
1 355 . 17 1 1 A 52 52 VAL N N 30 117.320 125.054 -7.734 1
1 356 . 17 1 1 A 53 53 GLU H H 31 7.170 7.570 -0.400 1
1 357 . 17 1 1 A 53 53 GLU HA H 31 4.580 4.900 -0.320 1
1 362 . 17 1 1 A 53 53 GLU C C 31 174.940 174.891 0.049 1
1 363 . 17 1 1 A 53 53 GLU CA C 31 55.330 54.934 0.396 1
1 364 . 17 1 1 A 53 53 GLU CB C 31 33.370 33.416 -0.046 1
1 366 . 17 1 1 A 53 53 GLU N N 31 118.180 120.295 -2.115 1
1 367 . 17 1 1 A 54 54 SER H H 32 8.650 8.802 -0.152 1
1 368 . 17 1 1 A 54 54 SER HA H 32 5.130 5.098 0.032 1
1 371 . 17 1 1 A 54 54 SER C C 32 171.990 172.404 -0.414 1
1 372 . 17 1 1 A 54 54 SER CA C 32 57.940 57.208 0.732 1
1 373 . 17 1 1 A 54 54 SER CB C 32 64.720 65.406 -0.686 1
1 374 . 17 1 1 A 54 54 SER N N 32 117.210 117.333 -0.123 1
1 375 . 17 1 1 A 55 55 SER H H 33 8.760 8.931 -0.171 1
1 376 . 17 1 1 A 55 55 SER N N 33 124.420 118.775 5.645 1
1 377 . 17 1 1 A 56 56 PRO HA H 34 4.320 4.438 -0.118 1
1 382 . 17 1 1 A 56 56 PRO C C 34 177.290 177.133 0.157 1
1 383 . 17 1 1 A 56 56 PRO CA C 34 65.750 64.587 1.163 1
1 384 . 17 1 1 A 56 56 PRO CB C 34 32.490 32.157 0.333 1
1 386 . 17 1 1 A 57 57 THR H H 35 7.810 8.184 -0.374 1
1 387 . 17 1 1 A 57 57 THR HA H 35 4.630 4.857 -0.227 1
1 392 . 17 1 1 A 57 57 THR C C 35 174.080 173.955 0.125 1
1 393 . 17 1 1 A 57 57 THR CA C 35 61.860 61.444 0.416 1
1 394 . 17 1 1 A 57 57 THR CB C 35 70.940 70.242 0.698 1
1 396 . 17 1 1 A 57 57 THR N N 35 101.710 110.870 -9.160 1
1 397 . 17 1 1 A 58 58 PHE H H 36 7.670 7.430 0.240 1
1 398 . 17 1 1 A 58 58 PHE HA H 36 5.780 4.915 0.865 1
1 405 . 17 1 1 A 58 58 PHE CA C 36 57.820 58.222 -0.402 1
1 406 . 17 1 1 A 58 58 PHE CB C 36 43.010 42.483 0.527 1
1 409 . 17 1 1 A 58 58 PHE N N 36 124.370 120.913 3.457 1
1 410 . 17 1 1 A 59 59 SER H H 37 8.070 7.884 0.186 1
1 411 . 17 1 1 A 59 59 SER HA H 37 4.890 5.027 -0.137 1
1 414 . 17 1 1 A 59 59 SER C C 37 170.010 172.664 -2.654 1
1 415 . 17 1 1 A 59 59 SER CA C 37 56.660 57.135 -0.475 1
1 416 . 17 1 1 A 59 59 SER CB C 37 67.490 67.003 0.487 1
1 417 . 17 1 1 A 59 59 SER N N 37 122.930 118.426 4.504 1
1 418 . 17 1 1 A 60 60 LEU H H 38 8.140 8.605 -0.465 1
1 419 . 17 1 1 A 60 60 LEU HA H 38 4.810 4.377 0.433 1
1 429 . 17 1 1 A 60 60 LEU C C 38 174.000 174.537 -0.537 1
1 430 . 17 1 1 A 60 60 LEU CA C 38 53.750 54.415 -0.665 1
1 431 . 17 1 1 A 60 60 LEU CB C 38 47.250 45.809 1.441 1
1 435 . 17 1 1 A 60 60 LEU N N 38 122.030 122.994 -0.964 1
1 436 . 17 1 1 A 61 61 PHE H H 39 9.460 7.935 1.525 1
1 437 . 17 1 1 A 61 61 PHE HA H 39 4.580 5.799 -1.219 1
1 444 . 17 1 1 A 61 61 PHE C C 39 174.390 173.237 1.153 1
1 445 . 17 1 1 A 61 61 PHE CA C 39 57.180 54.905 2.275 1
1 446 . 17 1 1 A 61 61 PHE CB C 39 41.570 42.733 -1.163 1
1 449 . 17 1 1 A 61 61 PHE N N 39 124.820 122.442 2.378 1
1 450 . 17 1 1 A 62 62 VAL H H 40 8.640 9.046 -0.406 1
1 451 . 17 1 1 A 62 62 VAL HA H 40 4.260 4.519 -0.259 1
1 459 . 17 1 1 A 62 62 VAL C C 40 175.380 175.073 0.307 1
1 460 . 17 1 1 A 62 62 VAL CA C 40 62.520 61.224 1.296 1
1 461 . 17 1 1 A 62 62 VAL CB C 40 32.470 33.519 -1.049 1
1 464 . 17 1 1 A 62 62 VAL N N 40 122.650 122.848 -0.198 1
1 465 . 17 1 1 A 63 63 LEU H H 41 8.710 8.661 0.049 1
1 466 . 17 1 1 A 63 63 LEU HA H 41 4.590 4.648 -0.058 1
1 476 . 17 1 1 A 63 63 LEU CA C 41 53.560 53.745 -0.185 1
1 477 . 17 1 1 A 63 63 LEU CB C 41 41.600 42.477 -0.877 1
1 481 . 17 1 1 A 63 63 LEU N N 41 126.170 127.992 -1.822 1
1 482 . 17 1 1 A 64 64 ALA HA H 42 4.040 4.126 -0.086 1
1 486 . 17 1 1 A 64 64 ALA CA C 42 55.050 54.136 0.914 1
1 487 . 17 1 1 A 64 64 ALA CB C 42 18.580 18.631 -0.051 1
1 488 . 17 1 1 A 65 65 ASN H H 43 7.680 7.888 -0.208 1
1 489 . 17 1 1 A 65 65 ASN HA H 43 4.520 4.781 -0.261 1
1 494 . 17 1 1 A 65 65 ASN C C 43 175.860 175.724 0.136 1
1 495 . 17 1 1 A 65 65 ASN CA C 43 52.530 53.652 -1.122 1
1 496 . 17 1 1 A 65 65 ASN CB C 43 37.800 38.948 -1.148 1
1 497 . 17 1 1 A 65 65 ASN N N 43 112.130 115.140 -3.010 1
1 499 . 17 1 1 A 66 66 GLY H H 44 8.070 8.185 -0.115 1
1 500 . 17 1 1 A 66 66 GLY HA2 H 44 4.330 3.896 0.434 1
1 501 . 17 1 1 A 66 66 GLY HA3 H 44 3.480 3.903 -0.423 1
1 502 . 17 1 1 A 66 66 GLY C C 44 174.260 173.837 0.423 1
1 503 . 17 1 1 A 66 66 GLY CA C 44 44.930 45.594 -0.664 1
1 504 . 17 1 1 A 66 66 GLY N N 44 107.650 108.182 -0.532 1
1 505 . 17 1 1 A 67 67 MET H H 45 7.900 7.759 0.141 1
1 506 . 17 1 1 A 67 67 MET HA H 45 4.420 5.014 -0.594 1
1 514 . 17 1 1 A 67 67 MET CA C 45 55.520 53.208 2.312 1
1 515 . 17 1 1 A 67 67 MET CB C 45 33.630 35.958 -2.328 1
1 518 . 17 1 1 A 67 67 MET N N 45 121.850 116.519 5.331 1
1 519 . 17 1 1 A 68 68 LYS HA H 46 5.040 5.099 -0.059 1
1 528 . 17 1 1 A 68 68 LYS C C 46 174.600 174.148 0.452 1
1 529 . 17 1 1 A 68 68 LYS CA C 46 55.410 55.018 0.392 1
1 530 . 17 1 1 A 68 68 LYS CB C 46 34.460 35.864 -1.404 1
1 534 . 17 1 1 A 69 69 LEU H H 47 8.830 8.528 0.302 1
1 535 . 17 1 1 A 69 69 LEU HA H 47 5.450 5.521 -0.071 1
1 545 . 17 1 1 A 69 69 LEU C C 47 174.880 174.990 -0.110 1
1 546 . 17 1 1 A 69 69 LEU CA C 47 52.980 53.567 -0.587 1
1 547 . 17 1 1 A 69 69 LEU CB C 47 46.560 45.376 1.184 1
1 551 . 17 1 1 A 69 69 LEU N N 47 124.960 126.634 -1.674 1
1 552 . 17 1 1 A 70 70 GLY H H 48 9.580 9.287 0.293 1
1 553 . 17 1 1 A 70 70 GLY HA2 H 48 5.220 3.864 1.356 1
1 554 . 17 1 1 A 70 70 GLY HA3 H 48 3.090 4.207 -1.117 1
1 555 . 17 1 1 A 70 70 GLY C C 48 170.590 171.648 -1.058 1
1 556 . 17 1 1 A 70 70 GLY CA C 48 43.370 44.006 -0.636 1
1 557 . 17 1 1 A 70 70 GLY N N 48 113.940 113.917 0.023 1
1 558 . 17 1 1 A 71 71 LEU H H 49 8.250 8.106 0.144 1
1 559 . 17 1 1 A 71 71 LEU HA H 49 5.150 4.772 0.378 1
1 569 . 17 1 1 A 71 71 LEU C C 49 173.920 174.069 -0.149 1
1 570 . 17 1 1 A 71 71 LEU CA C 49 52.770 53.763 -0.993 1
1 571 . 17 1 1 A 71 71 LEU CB C 49 43.100 44.681 -1.581 1
1 575 . 17 1 1 A 71 71 LEU N N 49 122.270 121.165 1.105 1
1 576 . 17 1 1 A 72 72 TRP H H 50 8.960 8.856 0.104 1
1 577 . 17 1 1 A 72 72 TRP HA H 50 5.860 5.691 0.169 1
1 584 . 17 1 1 A 72 72 TRP C C 50 175.740 174.967 0.773 1
1 585 . 17 1 1 A 72 72 TRP CA C 50 53.170 55.374 -2.204 1
1 586 . 17 1 1 A 72 72 TRP CB C 50 34.990 32.825 2.165 1
1 590 . 17 1 1 A 72 72 TRP N N 50 125.010 129.713 -4.703 1
1 592 . 17 1 1 A 73 73 SER H H 51 9.010 8.858 0.152 1
1 593 . 17 1 1 A 73 73 SER HA H 51 4.570 4.662 -0.092 1
1 596 . 17 1 1 A 73 73 SER C C 51 176.240 175.578 0.662 1
1 597 . 17 1 1 A 73 73 SER CA C 51 58.490 59.209 -0.719 1
1 598 . 17 1 1 A 73 73 SER CB C 51 63.770 63.429 0.341 1
1 599 . 17 1 1 A 73 73 SER N N 51 120.380 123.473 -3.093 1
1 600 . 17 1 1 A 74 74 ARG H H 52 9.420 8.352 1.068 1
1 601 . 17 1 1 A 74 74 ARG HA H 52 3.460 3.509 -0.049 1
1 608 . 17 1 1 A 74 74 ARG C C 52 175.610 176.676 -1.066 1
1 609 . 17 1 1 A 74 74 ARG CA C 52 57.590 57.904 -0.314 1
1 610 . 17 1 1 A 74 74 ARG CB C 52 28.900 29.356 -0.456 1
1 613 . 17 1 1 A 74 74 ARG N N 52 128.770 124.117 4.653 1
1 614 . 17 1 1 A 75 75 HIS H H 53 7.910 7.729 0.181 1
1 615 . 17 1 1 A 75 75 HIS HA H 53 4.310 4.482 -0.172 1
1 619 . 17 1 1 A 75 75 HIS C C 53 176.610 175.401 1.209 1
1 620 . 17 1 1 A 75 75 HIS CA C 53 57.190 57.044 0.146 1
1 621 . 17 1 1 A 75 75 HIS CB C 53 31.260 29.337 1.923 1
1 623 . 17 1 1 A 75 75 HIS N N 53 117.320 116.221 1.099 1
1 624 . 17 1 1 A 76 76 THR H H 54 7.360 7.865 -0.505 1
1 625 . 17 1 1 A 76 76 THR HA H 54 4.540 4.628 -0.088 1
1 630 . 17 1 1 A 76 76 THR C C 54 175.120 174.224 0.896 1
1 631 . 17 1 1 A 76 76 THR CA C 54 61.840 61.403 0.437 1
1 632 . 17 1 1 A 76 76 THR CB C 54 69.680 70.428 -0.748 1
1 634 . 17 1 1 A 76 76 THR N N 54 107.350 113.986 -6.636 1
1 635 . 17 1 1 A 77 77 VAL H H 55 6.630 7.364 -0.734 1
1 636 . 17 1 1 A 77 77 VAL HA H 55 2.700 3.442 -0.742 1
1 644 . 17 1 1 A 77 77 VAL C C 55 173.920 175.072 -1.152 1
1 645 . 17 1 1 A 77 77 VAL CA C 55 63.500 62.138 1.362 1
1 646 . 17 1 1 A 77 77 VAL CB C 55 31.270 32.117 -0.847 1
1 649 . 17 1 1 A 77 77 VAL N N 55 123.760 122.090 1.670 1
1 650 . 17 1 1 A 78 78 GLU H H 56 6.010 8.536 -2.526 1
1 651 . 17 1 1 A 78 78 GLU HA H 56 4.160 4.881 -0.721 1
1 656 . 17 1 1 A 78 78 GLU CA C 56 53.120 52.728 0.392 1
1 657 . 17 1 1 A 78 78 GLU CB C 56 32.240 31.446 0.794 1
1 659 . 17 1 1 A 78 78 GLU N N 56 124.820 127.736 -2.916 1
1 660 . 17 1 1 A 79 79 PRO HA H 57 4.620 4.617 0.003 1
1 667 . 17 1 1 A 79 79 PRO C C 57 176.190 176.599 -0.409 1
1 668 . 17 1 1 A 79 79 PRO CA C 57 61.890 62.512 -0.622 1
1 669 . 17 1 1 A 79 79 PRO CB C 57 33.620 32.042 1.578 1
1 672 . 17 1 1 A 80 80 LYS H H 58 8.340 8.242 0.098 1
1 673 . 17 1 1 A 80 80 LYS HA H 58 3.880 4.344 -0.464 1
1 682 . 17 1 1 A 80 80 LYS C C 58 177.100 176.748 0.352 1
1 683 . 17 1 1 A 80 80 LYS CA C 58 57.610 56.919 0.691 1
1 684 . 17 1 1 A 80 80 LYS CB C 58 32.400 32.519 -0.119 1
1 688 . 17 1 1 A 80 80 LYS N N 58 121.510 121.385 0.125 1
1 689 . 17 1 1 A 81 81 ALA H H 59 8.430 8.767 -0.337 1
1 690 . 17 1 1 A 81 81 ALA HA H 59 4.870 5.062 -0.192 1
1 694 . 17 1 1 A 81 81 ALA C C 59 177.460 175.454 2.006 1
1 695 . 17 1 1 A 81 81 ALA CA C 59 51.020 50.983 0.037 1
1 696 . 17 1 1 A 81 81 ALA CB C 59 22.910 24.003 -1.093 1
1 697 . 17 1 1 A 81 81 ALA N N 59 129.030 127.440 1.590 1
1 698 . 17 1 1 A 82 82 SER H H 60 9.680 8.784 0.896 1
1 699 . 17 1 1 A 82 82 SER HA H 60 4.510 5.348 -0.838 1
1 702 . 17 1 1 A 82 82 SER C C 60 172.960 173.221 -0.261 1
1 703 . 17 1 1 A 82 82 SER CA C 60 58.350 57.652 0.698 1
1 704 . 17 1 1 A 82 82 SER CB C 60 65.150 64.903 0.247 1
1 705 . 17 1 1 A 82 82 SER N N 60 115.930 116.574 -0.644 1
1 706 . 17 1 1 A 83 83 VAL H H 61 7.450 9.120 -1.670 1
1 707 . 17 1 1 A 83 83 VAL HA H 61 4.260 4.898 -0.638 1
1 715 . 17 1 1 A 83 83 VAL CA C 61 60.940 60.538 0.402 1
1 716 . 17 1 1 A 83 83 VAL CB C 61 35.360 34.976 0.384 1
1 719 . 17 1 1 A 83 83 VAL N N 61 121.550 124.618 -3.068 1
1 720 . 17 1 1 A 84 84 THR H H 62 7.850 8.646 -0.796 1
1 721 . 17 1 1 A 84 84 THR HA H 62 4.750 5.066 -0.316 1
1 726 . 17 1 1 A 84 84 THR C C 62 174.040 174.111 -0.071 1
1 727 . 17 1 1 A 84 84 THR CA C 62 59.370 59.748 -0.378 1
1 728 . 17 1 1 A 84 84 THR CB C 62 68.800 71.789 -2.989 1
1 730 . 17 1 1 A 84 84 THR N N 62 111.040 119.477 -8.437 1
1 731 . 17 1 1 A 85 85 GLY H H 63 7.950 8.783 -0.833 1
1 732 . 17 1 1 A 85 85 GLY HA2 H 63 3.480 3.897 -0.417 1
1 733 . 17 1 1 A 85 85 GLY HA3 H 63 2.950 3.912 -0.962 1
1 734 . 17 1 1 A 85 85 GLY C C 63 174.140 173.627 0.513 1
1 735 . 17 1 1 A 85 85 GLY CA C 63 45.490 46.230 -0.740 1
1 736 . 17 1 1 A 85 85 GLY N N 63 109.700 113.156 -3.456 1
1 737 . 17 1 1 A 86 86 GLY H H 64 8.530 7.927 0.603 1
1 738 . 17 1 1 A 86 86 GLY HA2 H 64 4.550 4.181 0.369 1
1 739 . 17 1 1 A 86 86 GLY HA3 H 64 3.700 4.190 -0.490 1
1 740 . 17 1 1 A 86 86 GLY C C 64 174.700 172.679 2.021 1
1 741 . 17 1 1 A 86 86 GLY CA C 64 45.600 45.483 0.117 1
1 742 . 17 1 1 A 86 86 GLY N N 64 107.420 106.742 0.678 1
1 743 . 17 1 1 A 87 87 GLY H H 65 9.280 8.390 0.890 1
1 744 . 17 1 1 A 87 87 GLY HA2 H 65 4.860 4.159 0.701 1
1 745 . 17 1 1 A 87 87 GLY HA3 H 65 4.160 4.163 -0.003 1
1 746 . 17 1 1 A 87 87 GLY C C 65 172.640 172.560 0.080 1
1 747 . 17 1 1 A 87 87 GLY CA C 65 45.630 44.791 0.839 1
1 748 . 17 1 1 A 87 87 GLY N N 65 111.380 108.408 2.972 1
1 749 . 17 1 1 A 88 88 GLY H H 66 6.610 8.407 -1.797 1
1 750 . 17 1 1 A 88 88 GLY HA2 H 66 4.020 4.081 -0.061 1
1 751 . 17 1 1 A 88 88 GLY HA3 H 66 2.360 4.081 -1.721 1
1 752 . 17 1 1 A 88 88 GLY C C 66 172.250 172.988 -0.738 1
1 753 . 17 1 1 A 88 88 GLY CA C 66 43.910 44.653 -0.743 1
1 754 . 17 1 1 A 88 88 GLY N N 66 105.700 109.069 -3.369 1
1 755 . 17 1 1 A 89 89 GLU H H 67 9.230 8.504 0.726 1
1 756 . 17 1 1 A 89 89 GLU HA H 67 5.100 4.890 0.210 1
1 761 . 17 1 1 A 89 89 GLU C C 67 175.770 174.899 0.871 1
1 762 . 17 1 1 A 89 89 GLU CA C 67 54.540 55.443 -0.903 1
1 763 . 17 1 1 A 89 89 GLU CB C 67 34.710 31.784 2.926 1
1 765 . 17 1 1 A 89 89 GLU N N 67 117.210 119.672 -2.462 1
1 766 . 17 1 1 A 90 90 LEU H H 68 8.470 8.627 -0.157 1
1 767 . 17 1 1 A 90 90 LEU HA H 68 5.050 5.083 -0.033 1
1 777 . 17 1 1 A 90 90 LEU C C 68 175.460 174.959 0.501 1
1 778 . 17 1 1 A 90 90 LEU CA C 68 54.160 53.771 0.389 1
1 779 . 17 1 1 A 90 90 LEU CB C 68 44.250 44.441 -0.191 1
1 783 . 17 1 1 A 90 90 LEU N N 68 120.420 125.244 -4.824 1
1 784 . 17 1 1 A 91 91 ALA H H 69 8.880 8.863 0.017 1
1 785 . 17 1 1 A 91 91 ALA HA H 69 5.990 5.543 0.447 1
1 789 . 17 1 1 A 91 91 ALA C C 69 175.300 176.610 -1.310 1
1 790 . 17 1 1 A 91 91 ALA CA C 69 50.340 51.169 -0.829 1
1 791 . 17 1 1 A 91 91 ALA CB C 69 21.140 19.983 1.157 1
1 792 . 17 1 1 A 91 91 ALA N N 69 124.720 130.573 -5.853 1
1 793 . 17 1 1 A 92 92 PHE H H 70 10.090 9.521 0.569 1
1 794 . 17 1 1 A 92 92 PHE HA H 70 4.700 5.051 -0.351 1
1 802 . 17 1 1 A 92 92 PHE CA C 70 56.580 56.871 -0.291 1
1 803 . 17 1 1 A 92 92 PHE CB C 70 40.490 39.311 1.179 1
1 807 . 17 1 1 A 92 92 PHE N N 70 122.920 124.171 -1.251 1
1 808 . 17 1 1 A 93 93 ARG H H 71 9.030 9.043 -0.013 1
1 809 . 17 1 1 A 93 93 ARG HA H 71 4.460 4.454 0.006 1
1 816 . 17 1 1 A 93 93 ARG C C 71 176.910 176.012 0.898 1
1 817 . 17 1 1 A 93 93 ARG CA C 71 55.080 56.051 -0.971 1
1 818 . 17 1 1 A 93 93 ARG CB C 71 31.950 31.217 0.733 1
1 821 . 17 1 1 A 93 93 ARG N N 71 125.390 125.027 0.363 1
1 822 . 17 1 1 A 94 94 VAL H H 72 8.470 8.251 0.219 1
1 823 . 17 1 1 A 94 94 VAL HA H 72 4.820 4.683 0.137 1
1 831 . 17 1 1 A 94 94 VAL C C 72 176.320 175.773 0.547 1
1 832 . 17 1 1 A 94 94 VAL CA C 72 59.190 58.848 0.342 1
1 833 . 17 1 1 A 94 94 VAL CB C 72 32.550 34.934 -2.384 1
1 836 . 17 1 1 A 94 94 VAL N N 72 119.430 119.485 -0.055 1
1 837 . 17 1 1 A 95 95 GLU H H 73 8.160 8.978 -0.818 1
1 838 . 17 1 1 A 95 95 GLU HA H 73 3.940 4.238 -0.298 1
1 843 . 17 1 1 A 95 95 GLU C C 73 176.560 176.611 -0.051 1
1 844 . 17 1 1 A 95 95 GLU CA C 73 59.620 58.778 0.842 1
1 845 . 17 1 1 A 95 95 GLU CB C 73 31.400 29.663 1.737 1
1 847 . 17 1 1 A 95 95 GLU N N 73 116.510 120.717 -4.207 1
1 848 . 17 1 1 A 96 96 ASN H H 74 7.240 7.855 -0.615 1
1 849 . 17 1 1 A 96 96 ASN HA H 74 4.780 5.088 -0.308 1
1 854 . 17 1 1 A 96 96 ASN C C 74 174.960 174.668 0.292 1
1 855 . 17 1 1 A 96 96 ASN CA C 74 51.570 52.417 -0.847 1
1 856 . 17 1 1 A 96 96 ASN CB C 74 40.130 39.566 0.564 1
1 857 . 17 1 1 A 96 96 ASN N N 74 108.930 114.463 -5.533 1
1 859 . 17 1 1 A 97 97 ASP H H 75 8.330 9.036 -0.706 1
1 860 . 17 1 1 A 97 97 ASP HA H 75 4.190 4.372 -0.182 1
1 863 . 17 1 1 A 97 97 ASP C C 75 177.800 178.532 -0.732 1
1 864 . 17 1 1 A 97 97 ASP CA C 75 57.780 56.614 1.166 1
1 865 . 17 1 1 A 97 97 ASP CB C 75 39.230 39.370 -0.140 1
1 866 . 17 1 1 A 97 97 ASP N N 75 120.390 118.299 2.091 1
1 867 . 17 1 1 A 98 98 ALA H H 76 8.090 8.040 0.050 1
1 868 . 17 1 1 A 98 98 ALA HA H 76 4.210 3.984 0.226 1
1 872 . 17 1 1 A 98 98 ALA C C 76 181.130 179.998 1.132 1
1 873 . 17 1 1 A 98 98 ALA CA C 76 55.160 54.989 0.171 1
1 874 . 17 1 1 A 98 98 ALA CB C 76 17.440 17.897 -0.457 1
1 875 . 17 1 1 A 98 98 ALA N N 76 122.660 121.835 0.825 1
1 876 . 17 1 1 A 99 99 GLN H H 77 8.110 8.042 0.068 1
1 877 . 17 1 1 A 99 99 GLN HA H 77 4.170 4.052 0.118 1
1 884 . 17 1 1 A 99 99 GLN C C 77 180.190 178.581 1.609 1
1 885 . 17 1 1 A 99 99 GLN CA C 77 58.680 58.539 0.141 1
1 886 . 17 1 1 A 99 99 GLN CB C 77 28.590 28.435 0.155 1
1 888 . 17 1 1 A 99 99 GLN N N 77 116.870 118.399 -1.529 1
1 890 . 17 1 1 A 100 100 VAL H H 78 7.860 7.539 0.321 1
1 891 . 17 1 1 A 100 100 VAL HA H 78 3.400 3.569 -0.169 1
1 899 . 17 1 1 A 100 100 VAL C C 78 177.510 178.179 -0.669 1
1 900 . 17 1 1 A 100 100 VAL CA C 78 67.800 66.472 1.328 1
1 901 . 17 1 1 A 100 100 VAL CB C 78 30.810 31.590 -0.780 1
1 904 . 17 1 1 A 100 100 VAL N N 78 125.200 121.095 4.105 1
1 905 . 17 1 1 A 101 101 ASP H H 79 7.810 7.843 -0.033 1
1 906 . 17 1 1 A 101 101 ASP HA H 79 4.420 4.227 0.193 1
1 909 . 17 1 1 A 101 101 ASP C C 79 175.010 178.620 -3.610 1
1 910 . 17 1 1 A 101 101 ASP CA C 79 58.490 57.290 1.200 1
1 911 . 17 1 1 A 101 101 ASP CB C 79 40.400 40.842 -0.442 1
1 912 . 17 1 1 A 101 101 ASP N N 79 119.560 120.381 -0.821 1
1 913 . 17 1 1 A 102 102 GLU H H 80 8.620 8.093 0.527 1
1 914 . 17 1 1 A 102 102 GLU HA H 80 4.080 4.053 0.027 1
1 919 . 17 1 1 A 102 102 GLU C C 80 179.540 179.460 0.080 1
1 920 . 17 1 1 A 102 102 GLU CA C 80 59.470 59.444 0.026 1
1 921 . 17 1 1 A 102 102 GLU CB C 80 30.210 29.347 0.863 1
1 923 . 17 1 1 A 102 102 GLU N N 80 121.400 118.952 2.448 1
1 924 . 17 1 1 A 103 103 THR H H 81 8.120 7.576 0.544 1
1 925 . 17 1 1 A 103 103 THR HA H 81 3.660 3.774 -0.114 1
1 930 . 17 1 1 A 103 103 THR C C 81 174.440 176.062 -1.622 1
1 931 . 17 1 1 A 103 103 THR CA C 81 66.990 66.104 0.886 1
1 932 . 17 1 1 A 103 103 THR CB C 81 68.070 68.263 -0.193 1
1 934 . 17 1 1 A 103 103 THR N N 81 118.770 117.923 0.847 1
1 935 . 17 1 1 A 104 104 PHE H H 82 8.340 8.038 0.302 1
1 936 . 17 1 1 A 104 104 PHE HA H 82 3.030 3.678 -0.648 1
1 943 . 17 1 1 A 104 104 PHE C C 82 176.050 176.505 -0.455 1
1 944 . 17 1 1 A 104 104 PHE CA C 82 61.480 61.940 -0.460 1
1 945 . 17 1 1 A 104 104 PHE CB C 82 38.550 38.676 -0.126 1
1 948 . 17 1 1 A 104 104 PHE N N 82 122.350 121.299 1.051 1
1 949 . 17 1 1 A 105 105 ALA H H 83 7.780 8.463 -0.683 1
1 950 . 17 1 1 A 105 105 ALA HA H 83 3.680 4.055 -0.375 1
1 954 . 17 1 1 A 105 105 ALA C C 83 181.410 179.907 1.503 1
1 955 . 17 1 1 A 105 105 ALA CA C 83 54.880 55.079 -0.199 1
1 956 . 17 1 1 A 105 105 ALA CB C 83 18.080 18.273 -0.193 1
1 957 . 17 1 1 A 105 105 ALA N N 83 118.740 121.045 -2.305 1
1 958 . 17 1 1 A 106 106 GLY H H 84 8.120 8.069 0.051 1
1 959 . 17 1 1 A 106 106 GLY HA2 H 84 3.910 3.644 0.266 1
1 960 . 17 1 1 A 106 106 GLY HA3 H 84 3.810 3.666 0.144 1
1 961 . 17 1 1 A 106 106 GLY C C 84 176.780 177.171 -0.391 1
1 962 . 17 1 1 A 106 106 GLY CA C 84 46.910 47.137 -0.227 1
1 963 . 17 1 1 A 106 106 GLY N N 84 107.090 105.310 1.780 1
1 964 . 17 1 1 A 107 107 TRP H H 85 9.240 7.740 1.500 1
1 965 . 17 1 1 A 107 107 TRP HA H 85 4.440 4.710 -0.270 1
1 972 . 17 1 1 A 107 107 TRP C C 85 179.210 178.438 0.772 1
1 973 . 17 1 1 A 107 107 TRP CA C 85 59.190 60.581 -1.391 1
1 974 . 17 1 1 A 107 107 TRP CB C 85 28.450 28.977 -0.527 1
1 978 . 17 1 1 A 107 107 TRP N N 85 124.820 121.987 2.833 1
1 980 . 17 1 1 A 108 108 LYS H H 86 8.610 8.376 0.234 1
1 981 . 17 1 1 A 108 108 LYS HA H 86 3.920 3.866 0.054 1
1 990 . 17 1 1 A 108 108 LYS C C 86 180.980 178.583 2.397 1
1 991 . 17 1 1 A 108 108 LYS CA C 86 60.040 59.407 0.633 1
1 992 . 17 1 1 A 108 108 LYS CB C 86 31.850 32.300 -0.450 1
1 996 . 17 1 1 A 108 108 LYS N N 86 121.490 121.112 0.378 1
1 997 . 17 1 1 A 109 109 ALA H H 87 7.890 7.949 -0.059 1
1 998 . 17 1 1 A 109 109 ALA HA H 87 4.150 4.174 -0.024 1
1 1002 . 17 1 1 A 109 109 ALA C C 87 179.050 178.681 0.369 1
1 1003 . 17 1 1 A 109 109 ALA CA C 87 54.670 54.651 0.019 1
1 1004 . 17 1 1 A 109 109 ALA CB C 87 18.010 18.252 -0.242 1
1 1005 . 17 1 1 A 109 109 ALA N N 87 121.920 121.522 0.398 1
1 1006 . 17 1 1 A 110 110 SER H H 88 7.510 7.514 -0.004 1
1 1007 . 17 1 1 A 110 110 SER HA H 88 4.450 4.607 -0.157 1
1 1010 . 17 1 1 A 110 110 SER C C 88 174.140 174.226 -0.086 1
1 1011 . 17 1 1 A 110 110 SER CA C 88 58.750 58.497 0.253 1
1 1012 . 17 1 1 A 110 110 SER CB C 88 63.950 63.567 0.383 1
1 1013 . 17 1 1 A 110 110 SER N N 88 112.390 111.263 1.127 1
1 1014 . 17 1 1 A 111 111 GLY H H 89 7.790 7.670 0.120 1
1 1015 . 17 1 1 A 111 111 GLY HA2 H 89 4.180 3.926 0.254 1
1 1016 . 17 1 1 A 111 111 GLY HA3 H 89 3.700 3.938 -0.238 1
1 1017 . 17 1 1 A 111 111 GLY C C 89 174.520 174.482 0.038 1
1 1018 . 17 1 1 A 111 111 GLY CA C 89 45.530 46.715 -1.185 1
1 1019 . 17 1 1 A 111 111 GLY N N 89 108.220 110.327 -2.107 1
1 1020 . 17 1 1 A 112 112 VAL H H 90 7.660 7.714 -0.054 1
1 1021 . 17 1 1 A 112 112 VAL HA H 90 3.830 4.083 -0.253 1
1 1029 . 17 1 1 A 112 112 VAL C C 90 175.430 176.198 -0.768 1
1 1030 . 17 1 1 A 112 112 VAL CA C 90 63.880 62.044 1.836 1
1 1031 . 17 1 1 A 112 112 VAL CB C 90 32.040 32.843 -0.803 1
1 1034 . 17 1 1 A 112 112 VAL N N 90 122.880 120.171 2.709 1
1 1035 . 17 1 1 A 113 113 ALA H H 91 8.720 8.472 0.248 1
1 1036 . 17 1 1 A 113 113 ALA HA H 91 4.210 3.943 0.267 1
1 1040 . 17 1 1 A 113 113 ALA C C 91 176.290 178.046 -1.756 1
1 1041 . 17 1 1 A 113 113 ALA CA C 91 52.900 55.013 -2.113 1
1 1042 . 17 1 1 A 113 113 ALA CB C 91 19.290 18.277 1.013 1
1 1043 . 17 1 1 A 113 113 ALA N N 91 132.080 128.242 3.838 1
1 1044 . 17 1 1 A 114 114 MET H H 92 8.260 7.943 0.317 1
1 1045 . 17 1 1 A 114 114 MET HA H 92 5.330 4.244 1.086 1
1 1051 . 17 1 1 A 114 114 MET C C 92 176.780 176.589 0.191 1
1 1052 . 17 1 1 A 114 114 MET CA C 92 53.390 56.112 -2.722 1
1 1053 . 17 1 1 A 114 114 MET CB C 92 33.450 30.253 3.197 1
1 1055 . 17 1 1 A 114 114 MET N N 92 116.930 116.957 -0.027 1
1 1056 . 17 1 1 A 115 115 LEU H H 93 8.990 8.106 0.884 1
1 1057 . 17 1 1 A 115 115 LEU HA H 93 4.550 4.910 -0.360 1
1 1067 . 17 1 1 A 115 115 LEU C C 93 176.630 175.595 1.035 1
1 1068 . 17 1 1 A 115 115 LEU CA C 93 55.140 54.038 1.102 1
1 1069 . 17 1 1 A 115 115 LEU CB C 93 44.810 42.381 2.429 1
1 1073 . 17 1 1 A 115 115 LEU N N 93 122.250 119.228 3.022 1
1 1074 . 17 1 1 A 116 116 GLN H H 94 8.280 8.239 0.041 1
1 1075 . 17 1 1 A 116 116 GLN HA H 94 4.700 4.655 0.045 1
1 1080 . 17 1 1 A 116 116 GLN C C 94 174.860 174.166 0.694 1
1 1081 . 17 1 1 A 116 116 GLN CA C 94 55.600 55.863 -0.263 1
1 1082 . 17 1 1 A 116 116 GLN CB C 94 33.510 32.939 0.571 1
1 1083 . 17 1 1 A 116 116 GLN N N 94 121.140 123.166 -2.026 1
1 1085 . 17 1 1 A 117 117 GLN H H 95 8.490 8.627 -0.137 1
1 1086 . 17 1 1 A 117 117 GLN HA H 95 4.080 4.783 -0.703 1
1 1093 . 17 1 1 A 117 117 GLN CA C 95 54.860 53.446 1.414 1
1 1094 . 17 1 1 A 117 117 GLN CB C 95 26.550 28.975 -2.425 1
1 1096 . 17 1 1 A 117 117 GLN N N 95 125.610 125.187 0.423 1
1 1098 . 17 1 1 A 118 118 PRO HA H 96 4.410 4.738 -0.328 1
1 1103 . 17 1 1 A 118 118 PRO C C 96 176.290 175.525 0.765 1
1 1104 . 17 1 1 A 118 118 PRO CA C 96 64.130 63.016 1.114 1
1 1105 . 17 1 1 A 118 118 PRO CB C 96 30.550 31.442 -0.892 1
1 1107 . 17 1 1 A 119 119 ALA H H 97 8.980 8.052 0.928 1
1 1108 . 17 1 1 A 119 119 ALA HA H 97 4.550 4.747 -0.197 1
1 1112 . 17 1 1 A 119 119 ALA C C 97 175.820 176.011 -0.191 1
1 1113 . 17 1 1 A 119 119 ALA CA C 97 51.100 50.403 0.697 1
1 1114 . 17 1 1 A 119 119 ALA CB C 97 22.150 23.204 -1.054 1
1 1115 . 17 1 1 A 119 119 ALA N N 97 126.580 125.668 0.912 1
1 1116 . 17 1 1 A 120 120 LYS H H 98 8.710 8.539 0.171 1
1 1117 . 17 1 1 A 120 120 LYS HA H 98 4.450 4.463 -0.013 1
1 1126 . 17 1 1 A 120 120 LYS C C 98 175.950 176.275 -0.325 1
1 1127 . 17 1 1 A 120 120 LYS CA C 98 56.360 57.480 -1.120 1
1 1128 . 17 1 1 A 120 120 LYS CB C 98 32.090 33.242 -1.152 1
1 1132 . 17 1 1 A 120 120 LYS N N 98 121.330 121.169 0.161 1
1 1133 . 17 1 1 A 121 121 MET H H 99 8.130 8.222 -0.092 1
1 1138 . 17 1 1 A 121 121 MET N N 99 125.590 121.487 4.103 1
1 1139 . 17 1 1 A 122 122 GLU HA H 100 3.890 3.818 0.072 1
1 1144 . 17 1 1 A 122 122 GLU C C 100 176.450 177.111 -0.661 1
1 1145 . 17 1 1 A 122 122 GLU CA C 100 59.740 58.784 0.956 1
1 1146 . 17 1 1 A 122 122 GLU CB C 100 29.200 28.738 0.462 1
1 1148 . 17 1 1 A 123 123 PHE H H 101 6.120 7.288 -1.168 1
1 1149 . 17 1 1 A 123 123 PHE HA H 101 4.430 4.532 -0.102 1
1 1152 . 17 1 1 A 123 123 PHE C C 101 173.950 175.153 -1.203 1
1 1153 . 17 1 1 A 123 123 PHE CA C 101 54.750 57.958 -3.208 1
1 1154 . 17 1 1 A 123 123 PHE CB C 101 38.630 39.679 -1.049 1
1 1155 . 17 1 1 A 123 123 PHE N N 101 108.900 115.900 -7.000 1
1 1156 . 17 1 1 A 124 124 GLY H H 102 6.670 7.096 -0.426 1
1 1157 . 17 1 1 A 124 124 GLY HA2 H 102 4.780 4.109 0.671 1
1 1158 . 17 1 1 A 124 124 GLY HA3 H 102 3.770 4.227 -0.457 1
1 1159 . 17 1 1 A 124 124 GLY C C 102 170.410 172.140 -1.730 1
1 1160 . 17 1 1 A 124 124 GLY CA C 102 44.570 44.109 0.461 1
1 1161 . 17 1 1 A 124 124 GLY N N 102 108.900 106.962 1.938 1
1 1162 . 17 1 1 A 125 125 TYR H H 103 8.210 8.236 -0.026 1
1 1163 . 17 1 1 A 125 125 TYR HA H 103 5.080 4.830 0.250 1
1 1170 . 17 1 1 A 125 125 TYR C C 103 175.980 174.292 1.688 1
1 1171 . 17 1 1 A 125 125 TYR CA C 103 56.530 56.861 -0.331 1
1 1172 . 17 1 1 A 125 125 TYR CB C 103 40.180 38.839 1.341 1
1 1175 . 17 1 1 A 125 125 TYR N N 103 123.360 121.754 1.606 1
1 1176 . 17 1 1 A 126 126 THR H H 104 8.450 8.633 -0.183 1
1 1177 . 17 1 1 A 126 126 THR HA H 104 5.630 5.548 0.082 1
1 1182 . 17 1 1 A 126 126 THR C C 104 170.010 172.721 -2.711 1
1 1183 . 17 1 1 A 126 126 THR CA C 104 58.490 59.756 -1.266 1
1 1184 . 17 1 1 A 126 126 THR CB C 104 72.110 72.323 -0.213 1
1 1186 . 17 1 1 A 126 126 THR N N 104 120.720 122.192 -1.472 1
1 1187 . 17 1 1 A 127 127 PHE H H 105 8.170 9.181 -1.011 1
1 1188 . 17 1 1 A 127 127 PHE HA H 105 4.620 5.203 -0.583 1
1 1195 . 17 1 1 A 127 127 PHE C C 105 172.490 173.434 -0.944 1
1 1196 . 17 1 1 A 127 127 PHE CA C 105 56.610 57.086 -0.476 1
1 1197 . 17 1 1 A 127 127 PHE CB C 105 41.710 42.577 -0.867 1
1 1200 . 17 1 1 A 127 127 PHE N N 105 120.530 127.929 -7.399 1
1 1201 . 17 1 1 A 128 128 THR H H 106 8.450 8.870 -0.420 1
1 1202 . 17 1 1 A 128 128 THR HA H 106 5.090 4.739 0.351 1
1 1207 . 17 1 1 A 128 128 THR C C 106 172.750 173.509 -0.759 1
1 1208 . 17 1 1 A 128 128 THR CA C 106 63.340 61.096 2.244 1
1 1209 . 17 1 1 A 128 128 THR CB C 106 70.420 70.513 -0.093 1
1 1211 . 17 1 1 A 128 128 THR N N 106 114.010 121.777 -7.767 1
1 1212 . 17 1 1 A 129 129 ALA H H 107 10.030 9.055 0.975 1
1 1213 . 17 1 1 A 129 129 ALA HA H 107 5.540 5.187 0.353 1
1 1217 . 17 1 1 A 129 129 ALA C C 107 179.620 175.781 3.839 1
1 1218 . 17 1 1 A 129 129 ALA CA C 107 50.640 49.917 0.723 1
1 1219 . 17 1 1 A 129 129 ALA CB C 107 24.570 22.726 1.844 1
1 1220 . 17 1 1 A 129 129 ALA N N 107 135.110 129.999 5.111 1
1 1221 . 17 1 1 A 130 130 ALA H H 108 8.650 8.693 -0.043 1
1 1222 . 17 1 1 A 130 130 ALA HA H 108 5.380 5.163 0.217 1
1 1226 . 17 1 1 A 130 130 ALA C C 108 175.480 176.084 -0.604 1
1 1227 . 17 1 1 A 130 130 ALA CA C 108 50.100 50.676 -0.576 1
1 1228 . 17 1 1 A 130 130 ALA CB C 108 22.770 22.504 0.266 1
1 1229 . 17 1 1 A 130 130 ALA N N 108 121.150 120.793 0.357 1
1 1230 . 17 1 1 A 131 131 ASP H H 109 8.770 8.466 0.304 1
1 1231 . 17 1 1 A 131 131 ASP HA H 109 3.910 4.864 -0.954 1
1 1234 . 17 1 1 A 131 131 ASP CA C 109 51.290 51.969 -0.679 1
1 1235 . 17 1 1 A 131 131 ASP CB C 109 41.350 40.606 0.744 1
1 1236 . 17 1 1 A 131 131 ASP N N 109 123.100 123.541 -0.441 1
1 1237 . 17 1 1 A 132 132 PRO HA H 110 4.140 4.131 0.009 1
1 1242 . 17 1 1 A 132 132 PRO C C 110 176.890 177.297 -0.407 1
1 1243 . 17 1 1 A 132 132 PRO CA C 110 65.730 65.124 0.606 1
1 1244 . 17 1 1 A 132 132 PRO CB C 110 31.850 31.366 0.484 1
1 1246 . 17 1 1 A 133 133 ASP H H 111 8.740 7.501 1.239 1
1 1247 . 17 1 1 A 133 133 ASP HA H 111 4.800 4.512 0.288 1
1 1250 . 17 1 1 A 133 133 ASP C C 111 173.720 175.467 -1.747 1
1 1251 . 17 1 1 A 133 133 ASP CA C 111 54.140 54.465 -0.325 1
1 1252 . 17 1 1 A 133 133 ASP CB C 111 42.910 40.905 2.005 1
1 1253 . 17 1 1 A 133 133 ASP N N 111 118.220 117.491 0.729 1
1 1254 . 17 1 1 A 134 134 SER H H 112 8.370 7.605 0.765 1
1 1255 . 17 1 1 A 134 134 SER HA H 112 3.710 4.015 -0.305 1
1 1258 . 17 1 1 A 134 134 SER CA C 112 60.670 59.213 1.457 1
1 1259 . 17 1 1 A 134 134 SER CB C 112 61.430 61.014 0.416 1
1 1260 . 17 1 1 A 134 134 SER N N 112 109.220 112.937 -3.717 1
1 1261 . 17 1 1 A 135 135 HIS H H 113 8.850 7.489 1.361 1
1 1268 . 17 1 1 A 135 135 HIS N N 113 122.820 118.556 4.264 1
1 1269 . 17 1 1 A 136 136 ARG HA H 114 4.680 5.052 -0.372 1
1 1270 . 17 1 1 A 136 136 ARG C C 114 175.220 174.659 0.561 1
1 1271 . 17 1 1 A 136 136 ARG CA C 114 57.560 55.101 2.459 1
1 1272 . 17 1 1 A 137 137 LEU H H 115 8.680 8.889 -0.209 1
1 1273 . 17 1 1 A 137 137 LEU HA H 115 5.490 5.281 0.209 1
1 1282 . 17 1 1 A 137 137 LEU C C 115 174.620 174.909 -0.289 1
1 1283 . 17 1 1 A 137 137 LEU CA C 115 52.580 54.009 -1.429 1
1 1284 . 17 1 1 A 137 137 LEU CB C 115 43.070 43.186 -0.116 1
1 1287 . 17 1 1 A 137 137 LEU N N 115 123.990 126.852 -2.862 1
1 1288 . 17 1 1 A 138 138 ARG H H 116 9.510 9.431 0.079 1
1 1289 . 17 1 1 A 138 138 ARG HA H 116 5.120 4.821 0.299 1
1 1292 . 17 1 1 A 138 138 ARG C C 116 175.090 174.891 0.199 1
1 1293 . 17 1 1 A 138 138 ARG CA C 116 54.700 55.084 -0.384 1
1 1294 . 17 1 1 A 138 138 ARG CB C 116 33.480 31.633 1.847 1
1 1295 . 17 1 1 A 138 138 ARG N N 116 125.370 126.362 -0.992 1
1 1296 . 17 1 1 A 139 139 VAL H H 117 7.970 8.606 -0.636 1
1 1297 . 17 1 1 A 139 139 VAL HA H 117 5.280 5.035 0.245 1
1 1305 . 17 1 1 A 139 139 VAL C C 117 176.390 175.189 1.201 1
1 1306 . 17 1 1 A 139 139 VAL CA C 117 60.090 62.311 -2.221 1
1 1307 . 17 1 1 A 139 139 VAL CB C 117 32.690 32.171 0.519 1
1 1310 . 17 1 1 A 139 139 VAL N N 117 128.260 126.904 1.356 1
1 1311 . 17 1 1 A 140 140 TYR H H 118 9.200 9.029 0.171 1
1 1312 . 17 1 1 A 140 140 TYR HA H 118 5.800 5.744 0.056 1
1 1319 . 17 1 1 A 140 140 TYR C C 118 170.820 172.516 -1.696 1
1 1320 . 17 1 1 A 140 140 TYR CA C 118 56.060 55.485 0.575 1
1 1321 . 17 1 1 A 140 140 TYR CB C 118 42.460 41.694 0.766 1
1 1324 . 17 1 1 A 140 140 TYR N N 118 127.020 123.494 3.526 1
1 1325 . 17 1 1 A 141 141 ALA H H 119 8.330 9.167 -0.837 1
1 1326 . 17 1 1 A 141 141 ALA HA H 119 4.560 5.245 -0.685 1
1 1330 . 17 1 1 A 141 141 ALA C C 119 177.150 176.821 0.329 1
1 1331 . 17 1 1 A 141 141 ALA CA C 119 50.530 50.215 0.315 1
1 1332 . 17 1 1 A 141 141 ALA CB C 119 21.220 21.314 -0.094 1
1 1333 . 17 1 1 A 141 141 ALA N N 119 121.160 123.150 -1.990 1
1 1334 . 17 1 1 A 142 142 PHE H H 120 8.780 8.470 0.310 1
1 1335 . 17 1 1 A 142 142 PHE HA H 120 4.910 4.929 -0.019 1
1 1340 . 17 1 1 A 142 142 PHE C C 120 175.090 175.060 0.030 1
1 1341 . 17 1 1 A 142 142 PHE CA C 120 57.720 58.898 -1.178 1
1 1342 . 17 1 1 A 142 142 PHE CB C 120 40.810 40.099 0.711 1
1 1344 . 17 1 1 A 142 142 PHE N N 120 122.630 125.517 -2.887 1
1 1345 . 17 1 1 A 143 143 ALA H H 121 8.190 8.180 0.010 1
1 1346 . 17 1 1 A 143 143 ALA HA H 121 4.330 4.220 0.110 1
1 1350 . 17 1 1 A 143 143 ALA C C 121 176.260 177.333 -1.073 1
1 1351 . 17 1 1 A 143 143 ALA CA C 121 52.280 52.806 -0.526 1
1 1352 . 17 1 1 A 143 143 ALA CB C 121 19.310 18.357 0.953 1
1 1353 . 17 1 1 A 143 143 ALA N N 121 129.460 128.658 0.802 1
1 16 . 18 1 1 A 24 24 THR H H 2 8.350 7.916 0.434 1
1 17 . 18 1 1 A 24 24 THR HA H 2 4.470 4.191 0.279 1
1 22 . 18 1 1 A 24 24 THR CA C 2 61.890 63.244 -1.354 1
1 23 . 18 1 1 A 24 24 THR CB C 2 69.630 69.790 -0.160 1
1 25 . 18 1 1 A 24 24 THR N N 2 117.720 115.498 2.222 1
1 26 . 18 1 1 A 25 25 HIS H H 3 8.630 8.686 -0.056 1
1 27 . 18 1 1 A 25 25 HIS HA H 3 5.200 4.932 0.268 1
1 30 . 18 1 1 A 25 25 HIS CA C 3 51.620 53.622 -2.002 1
1 31 . 18 1 1 A 25 25 HIS CB C 3 33.320 32.182 1.138 1
1 32 . 18 1 1 A 25 25 HIS N N 3 124.890 123.559 1.331 1
1 33 . 18 1 1 A 26 26 PRO HA H 4 4.170 4.794 -0.624 1
1 40 . 18 1 1 A 26 26 PRO C C 4 175.740 176.950 -1.210 1
1 41 . 18 1 1 A 26 26 PRO CA C 4 62.740 62.093 0.647 1
1 42 . 18 1 1 A 26 26 PRO CB C 4 31.460 30.673 0.787 1
1 45 . 18 1 1 A 27 27 ASP H H 5 8.270 8.521 -0.251 1
1 46 . 18 1 1 A 27 27 ASP HA H 5 4.810 4.563 0.247 1
1 49 . 18 1 1 A 27 27 ASP C C 5 175.400 175.532 -0.132 1
1 50 . 18 1 1 A 27 27 ASP CA C 5 53.310 54.392 -1.082 1
1 51 . 18 1 1 A 27 27 ASP CB C 5 42.390 39.977 2.413 1
1 52 . 18 1 1 A 27 27 ASP N N 5 119.440 121.590 -2.150 1
1 53 . 18 1 1 A 28 28 PHE H H 6 7.280 7.974 -0.694 1
1 54 . 18 1 1 A 28 28 PHE HA H 6 5.440 5.245 0.195 1
1 61 . 18 1 1 A 28 28 PHE C C 6 174.180 173.293 0.887 1
1 62 . 18 1 1 A 28 28 PHE CA C 6 54.590 55.164 -0.574 1
1 63 . 18 1 1 A 28 28 PHE CB C 6 42.310 40.983 1.327 1
1 66 . 18 1 1 A 28 28 PHE N N 6 118.410 120.858 -2.448 1
1 67 . 18 1 1 A 29 29 THR H H 7 8.500 9.214 -0.714 1
1 68 . 18 1 1 A 29 29 THR HA H 7 4.800 5.133 -0.333 1
1 73 . 18 1 1 A 29 29 THR C C 7 172.280 172.938 -0.658 1
1 74 . 18 1 1 A 29 29 THR CA C 7 62.550 59.876 2.674 1
1 75 . 18 1 1 A 29 29 THR CB C 7 70.420 71.119 -0.699 1
1 77 . 18 1 1 A 29 29 THR N N 7 123.070 122.065 1.005 1
1 78 . 18 1 1 A 30 30 ILE H H 8 9.270 9.195 0.075 1
1 79 . 18 1 1 A 30 30 ILE HA H 8 4.680 4.803 -0.123 1
1 89 . 18 1 1 A 30 30 ILE C C 8 173.970 175.449 -1.479 1
1 90 . 18 1 1 A 30 30 ILE CA C 8 59.220 59.665 -0.445 1
1 91 . 18 1 1 A 30 30 ILE CB C 8 40.210 39.937 0.273 1
1 95 . 18 1 1 A 30 30 ILE N N 8 126.920 128.177 -1.257 1
1 96 . 18 1 1 A 31 31 LEU H H 9 8.760 8.775 -0.015 1
1 97 . 18 1 1 A 31 31 LEU HA H 9 4.330 5.061 -0.731 1
1 107 . 18 1 1 A 31 31 LEU C C 9 176.520 175.776 0.744 1
1 108 . 18 1 1 A 31 31 LEU CA C 9 52.960 53.277 -0.317 1
1 109 . 18 1 1 A 31 31 LEU CB C 9 41.820 43.202 -1.382 1
1 113 . 18 1 1 A 31 31 LEU N N 9 126.000 127.694 -1.694 1
1 114 . 18 1 1 A 32 32 TYR H H 10 8.190 8.834 -0.644 1
1 115 . 18 1 1 A 32 32 TYR HA H 10 5.980 6.148 -0.168 1
1 118 . 18 1 1 A 32 32 TYR C C 10 177.720 173.672 4.048 1
1 119 . 18 1 1 A 32 32 TYR CA C 10 53.120 55.456 -2.336 1
1 120 . 18 1 1 A 32 32 TYR CB C 10 36.560 41.373 -4.813 1
1 121 . 18 1 1 A 32 32 TYR N N 10 122.130 118.012 4.118 1
1 122 . 18 1 1 A 33 33 VAL H H 11 8.470 8.679 -0.209 1
1 123 . 18 1 1 A 33 33 VAL HA H 11 4.990 4.877 0.113 1
1 131 . 18 1 1 A 33 33 VAL C C 11 176.030 175.456 0.574 1
1 132 . 18 1 1 A 33 33 VAL CA C 11 58.240 58.963 -0.723 1
1 133 . 18 1 1 A 33 33 VAL CB C 11 35.090 34.812 0.278 1
1 136 . 18 1 1 A 33 33 VAL N N 11 113.820 118.941 -5.121 1
1 137 . 18 1 1 A 34 34 ASP H H 12 9.750 9.009 0.741 1
1 138 . 18 1 1 A 34 34 ASP HA H 12 4.550 4.690 -0.140 1
1 141 . 18 1 1 A 34 34 ASP C C 12 177.230 175.880 1.350 1
1 142 . 18 1 1 A 34 34 ASP CA C 12 58.000 56.149 1.851 1
1 143 . 18 1 1 A 34 34 ASP CB C 12 42.780 41.267 1.513 1
1 144 . 18 1 1 A 34 34 ASP N N 12 124.140 121.283 2.857 1
1 145 . 18 1 1 A 35 35 ASN H H 13 9.250 7.943 1.307 1
1 146 . 18 1 1 A 35 35 ASN HA H 13 5.120 5.028 0.092 1
1 151 . 18 1 1 A 35 35 ASN CA C 13 50.610 50.200 0.410 1
1 152 . 18 1 1 A 35 35 ASN CB C 13 39.920 39.557 0.363 1
1 153 . 18 1 1 A 35 35 ASN N N 13 114.460 117.150 -2.690 1
1 155 . 18 1 1 A 37 37 PRO HA H 15 4.350 4.283 0.067 1
1 162 . 18 1 1 A 37 37 PRO C C 15 179.310 179.445 -0.135 1
1 163 . 18 1 1 A 37 37 PRO CA C 15 67.480 66.714 0.766 1
1 164 . 18 1 1 A 37 37 PRO CB C 15 31.340 30.823 0.517 1
1 167 . 18 1 1 A 38 38 ALA H H 16 7.740 8.218 -0.478 1
1 168 . 18 1 1 A 38 38 ALA HA H 16 4.310 4.089 0.221 1
1 172 . 18 1 1 A 38 38 ALA C C 16 182.490 180.265 2.225 1
1 173 . 18 1 1 A 38 38 ALA CA C 16 55.160 55.431 -0.271 1
1 174 . 18 1 1 A 38 38 ALA CB C 16 18.360 18.415 -0.055 1
1 175 . 18 1 1 A 38 38 ALA N N 16 121.510 119.253 2.257 1
1 176 . 18 1 1 A 39 39 SER H H 17 8.770 7.819 0.951 1
1 177 . 18 1 1 A 39 39 SER HA H 17 4.190 4.297 -0.107 1
1 180 . 18 1 1 A 39 39 SER C C 17 175.610 177.032 -1.422 1
1 181 . 18 1 1 A 39 39 SER CA C 17 64.260 62.265 1.995 1
1 182 . 18 1 1 A 39 39 SER CB C 17 62.790 63.297 -0.507 1
1 183 . 18 1 1 A 39 39 SER N N 17 117.520 114.049 3.471 1
1 184 . 18 1 1 A 40 40 THR H H 18 9.310 7.875 1.435 1
1 185 . 18 1 1 A 40 40 THR HA H 18 4.480 4.320 0.160 1
1 190 . 18 1 1 A 40 40 THR C C 18 175.590 177.355 -1.765 1
1 191 . 18 1 1 A 40 40 THR CA C 18 68.130 66.782 1.348 1
1 192 . 18 1 1 A 40 40 THR CB C 18 68.480 68.293 0.187 1
1 194 . 18 1 1 A 40 40 THR N N 18 120.600 118.016 2.584 1
1 195 . 18 1 1 A 41 41 GLN H H 19 7.610 8.175 -0.565 1
1 196 . 18 1 1 A 41 41 GLN HA H 19 4.080 4.013 0.067 1
1 203 . 18 1 1 A 41 41 GLN C C 19 178.110 178.316 -0.206 1
1 204 . 18 1 1 A 41 41 GLN CA C 19 59.170 59.138 0.032 1
1 205 . 18 1 1 A 41 41 GLN CB C 19 28.170 28.215 -0.045 1
1 207 . 18 1 1 A 41 41 GLN N N 19 120.130 120.622 -0.492 1
1 209 . 18 1 1 A 42 42 PHE H H 20 7.710 7.822 -0.112 1
1 210 . 18 1 1 A 42 42 PHE HA H 20 4.080 4.116 -0.036 1
1 218 . 18 1 1 A 42 42 PHE C C 20 177.460 177.014 0.446 1
1 219 . 18 1 1 A 42 42 PHE CA C 20 61.760 61.354 0.406 1
1 220 . 18 1 1 A 42 42 PHE CB C 20 38.590 38.773 -0.183 1
1 224 . 18 1 1 A 42 42 PHE N N 20 120.560 121.810 -1.250 1
1 225 . 18 1 1 A 43 43 TYR H H 21 8.890 7.896 0.994 1
1 226 . 18 1 1 A 43 43 TYR HA H 21 3.700 4.122 -0.422 1
1 233 . 18 1 1 A 43 43 TYR C C 21 177.640 178.112 -0.472 1
1 234 . 18 1 1 A 43 43 TYR CA C 21 64.290 61.423 2.867 1
1 235 . 18 1 1 A 43 43 TYR CB C 21 38.110 37.407 0.703 1
1 238 . 18 1 1 A 43 43 TYR N N 21 118.420 117.978 0.442 1
1 239 . 18 1 1 A 44 44 LYS H H 22 8.860 8.058 0.802 1
1 240 . 18 1 1 A 44 44 LYS HA H 22 4.630 3.901 0.729 1
1 249 . 18 1 1 A 44 44 LYS C C 22 179.780 178.844 0.936 1
1 250 . 18 1 1 A 44 44 LYS CA C 22 59.630 59.564 0.066 1
1 251 . 18 1 1 A 44 44 LYS CB C 22 33.210 32.387 0.823 1
1 255 . 18 1 1 A 44 44 LYS N N 22 122.200 120.037 2.163 1
1 256 . 18 1 1 A 45 45 ALA H H 23 7.180 7.432 -0.252 1
1 257 . 18 1 1 A 45 45 ALA HA H 23 4.040 4.026 0.014 1
1 261 . 18 1 1 A 45 45 ALA C C 23 179.130 180.075 -0.945 1
1 262 . 18 1 1 A 45 45 ALA CA C 23 54.350 54.648 -0.298 1
1 263 . 18 1 1 A 45 45 ALA CB C 23 18.030 18.333 -0.303 1
1 264 . 18 1 1 A 45 45 ALA N N 23 120.710 121.707 -0.997 1
1 265 . 18 1 1 A 46 46 LEU H H 24 7.510 7.558 -0.048 1
1 266 . 18 1 1 A 46 46 LEU HA H 24 3.550 3.870 -0.320 1
1 276 . 18 1 1 A 46 46 LEU C C 24 178.680 178.604 0.076 1
1 277 . 18 1 1 A 46 46 LEU CA C 24 57.910 57.401 0.509 1
1 278 . 18 1 1 A 46 46 LEU CB C 24 43.950 41.493 2.457 1
1 282 . 18 1 1 A 46 46 LEU N N 24 118.650 120.125 -1.475 1
1 283 . 18 1 1 A 47 47 LEU H H 25 8.800 7.696 1.104 1
1 284 . 18 1 1 A 47 47 LEU HA H 25 4.480 4.480 0.000 1
1 294 . 18 1 1 A 47 47 LEU C C 25 178.960 177.382 1.578 1
1 295 . 18 1 1 A 47 47 LEU CA C 25 55.010 55.788 -0.778 1
1 296 . 18 1 1 A 47 47 LEU CB C 25 42.500 42.834 -0.334 1
1 300 . 18 1 1 A 47 47 LEU N N 25 112.540 117.537 -4.997 1
1 301 . 18 1 1 A 48 48 GLY H H 26 7.810 8.065 -0.255 1
1 302 . 18 1 1 A 48 48 GLY HA2 H 26 4.030 3.917 0.113 1
1 303 . 18 1 1 A 48 48 GLY HA3 H 26 3.900 3.944 -0.044 1
1 304 . 18 1 1 A 48 48 GLY C C 26 173.560 173.989 -0.429 1
1 305 . 18 1 1 A 48 48 GLY CA C 26 46.810 45.785 1.025 1
1 306 . 18 1 1 A 48 48 GLY N N 26 107.650 106.788 0.862 1
1 307 . 18 1 1 A 49 49 VAL H H 27 7.100 7.271 -0.171 1
1 308 . 18 1 1 A 49 49 VAL HA H 27 4.700 4.794 -0.094 1
1 316 . 18 1 1 A 49 49 VAL C C 27 172.980 174.066 -1.086 1
1 317 . 18 1 1 A 49 49 VAL CA C 27 58.680 59.252 -0.572 1
1 318 . 18 1 1 A 49 49 VAL CB C 27 36.090 35.572 0.518 1
1 321 . 18 1 1 A 49 49 VAL N N 27 110.770 115.631 -4.861 1
1 322 . 18 1 1 A 50 50 ASP H H 28 8.100 8.901 -0.801 1
1 323 . 18 1 1 A 50 50 ASP HA H 28 4.930 5.159 -0.229 1
1 326 . 18 1 1 A 50 50 ASP CA C 28 52.550 51.050 1.500 1
1 327 . 18 1 1 A 50 50 ASP CB C 28 40.520 43.947 -3.427 1
1 328 . 18 1 1 A 50 50 ASP N N 28 119.760 119.378 0.382 1
1 329 . 18 1 1 A 51 51 PRO HA H 29 3.700 4.792 -1.092 1
1 336 . 18 1 1 A 51 51 PRO C C 29 176.580 177.791 -1.211 1
1 337 . 18 1 1 A 51 51 PRO CA C 29 62.900 62.957 -0.057 1
1 338 . 18 1 1 A 51 51 PRO CB C 29 30.550 31.788 -1.238 1
1 341 . 18 1 1 A 52 52 VAL H H 30 8.340 8.543 -0.203 1
1 342 . 18 1 1 A 52 52 VAL HA H 30 4.080 3.982 0.098 1
1 350 . 18 1 1 A 52 52 VAL C C 30 176.190 175.909 0.281 1
1 351 . 18 1 1 A 52 52 VAL CA C 30 62.790 64.178 -1.388 1
1 352 . 18 1 1 A 52 52 VAL CB C 30 32.280 32.331 -0.051 1
1 355 . 18 1 1 A 52 52 VAL N N 30 117.320 125.379 -8.059 1
1 356 . 18 1 1 A 53 53 GLU H H 31 7.170 7.841 -0.671 1
1 357 . 18 1 1 A 53 53 GLU HA H 31 4.580 4.625 -0.045 1
1 362 . 18 1 1 A 53 53 GLU C C 31 174.940 175.331 -0.391 1
1 363 . 18 1 1 A 53 53 GLU CA C 31 55.330 55.365 -0.035 1
1 364 . 18 1 1 A 53 53 GLU CB C 31 33.370 30.029 3.341 1
1 366 . 18 1 1 A 53 53 GLU N N 31 118.180 120.236 -2.056 1
1 367 . 18 1 1 A 54 54 SER H H 32 8.650 8.677 -0.027 1
1 368 . 18 1 1 A 54 54 SER HA H 32 5.130 5.267 -0.137 1
1 371 . 18 1 1 A 54 54 SER C C 32 171.990 173.720 -1.730 1
1 372 . 18 1 1 A 54 54 SER CA C 32 57.940 57.042 0.898 1
1 373 . 18 1 1 A 54 54 SER CB C 32 64.720 64.745 -0.025 1
1 374 . 18 1 1 A 54 54 SER N N 32 117.210 120.376 -3.166 1
1 375 . 18 1 1 A 55 55 SER H H 33 8.760 8.492 0.268 1
1 376 . 18 1 1 A 55 55 SER N N 33 124.420 118.965 5.455 1
1 377 . 18 1 1 A 56 56 PRO HA H 34 4.320 4.358 -0.038 1
1 382 . 18 1 1 A 56 56 PRO C C 34 177.290 177.301 -0.011 1
1 383 . 18 1 1 A 56 56 PRO CA C 34 65.750 65.363 0.387 1
1 384 . 18 1 1 A 56 56 PRO CB C 34 32.490 31.793 0.697 1
1 386 . 18 1 1 A 57 57 THR H H 35 7.810 8.180 -0.370 1
1 387 . 18 1 1 A 57 57 THR HA H 35 4.630 4.765 -0.135 1
1 392 . 18 1 1 A 57 57 THR C C 35 174.080 173.815 0.265 1
1 393 . 18 1 1 A 57 57 THR CA C 35 61.860 61.213 0.647 1
1 394 . 18 1 1 A 57 57 THR CB C 35 70.940 70.017 0.923 1
1 396 . 18 1 1 A 57 57 THR N N 35 101.710 109.722 -8.012 1
1 397 . 18 1 1 A 58 58 PHE H H 36 7.670 7.700 -0.030 1
1 398 . 18 1 1 A 58 58 PHE HA H 36 5.780 4.833 0.947 1
1 405 . 18 1 1 A 58 58 PHE CA C 36 57.820 57.559 0.261 1
1 406 . 18 1 1 A 58 58 PHE CB C 36 43.010 42.656 0.354 1
1 409 . 18 1 1 A 58 58 PHE N N 36 124.370 121.976 2.394 1
1 410 . 18 1 1 A 59 59 SER H H 37 8.070 7.882 0.188 1
1 411 . 18 1 1 A 59 59 SER HA H 37 4.890 5.128 -0.238 1
1 414 . 18 1 1 A 59 59 SER C C 37 170.010 172.559 -2.549 1
1 415 . 18 1 1 A 59 59 SER CA C 37 56.660 57.153 -0.493 1
1 416 . 18 1 1 A 59 59 SER CB C 37 67.490 66.111 1.379 1
1 417 . 18 1 1 A 59 59 SER N N 37 122.930 120.807 2.123 1
1 418 . 18 1 1 A 60 60 LEU H H 38 8.140 8.464 -0.324 1
1 419 . 18 1 1 A 60 60 LEU HA H 38 4.810 4.587 0.223 1
1 429 . 18 1 1 A 60 60 LEU C C 38 174.000 174.783 -0.783 1
1 430 . 18 1 1 A 60 60 LEU CA C 38 53.750 54.261 -0.511 1
1 431 . 18 1 1 A 60 60 LEU CB C 38 47.250 45.733 1.517 1
1 435 . 18 1 1 A 60 60 LEU N N 38 122.030 124.381 -2.351 1
1 436 . 18 1 1 A 61 61 PHE H H 39 9.460 8.200 1.260 1
1 437 . 18 1 1 A 61 61 PHE HA H 39 4.580 5.737 -1.157 1
1 444 . 18 1 1 A 61 61 PHE C C 39 174.390 173.342 1.048 1
1 445 . 18 1 1 A 61 61 PHE CA C 39 57.180 55.111 2.069 1
1 446 . 18 1 1 A 61 61 PHE CB C 39 41.570 42.676 -1.106 1
1 449 . 18 1 1 A 61 61 PHE N N 39 124.820 122.437 2.383 1
1 450 . 18 1 1 A 62 62 VAL H H 40 8.640 9.078 -0.438 1
1 451 . 18 1 1 A 62 62 VAL HA H 40 4.260 4.596 -0.336 1
1 459 . 18 1 1 A 62 62 VAL C C 40 175.380 174.934 0.446 1
1 460 . 18 1 1 A 62 62 VAL CA C 40 62.520 61.140 1.380 1
1 461 . 18 1 1 A 62 62 VAL CB C 40 32.470 33.591 -1.121 1
1 464 . 18 1 1 A 62 62 VAL N N 40 122.650 123.251 -0.601 1
1 465 . 18 1 1 A 63 63 LEU H H 41 8.710 8.666 0.044 1
1 466 . 18 1 1 A 63 63 LEU HA H 41 4.590 4.814 -0.224 1
1 476 . 18 1 1 A 63 63 LEU CA C 41 53.560 53.538 0.022 1
1 477 . 18 1 1 A 63 63 LEU CB C 41 41.600 42.906 -1.306 1
1 481 . 18 1 1 A 63 63 LEU N N 41 126.170 127.894 -1.724 1
1 482 . 18 1 1 A 64 64 ALA HA H 42 4.040 4.125 -0.085 1
1 486 . 18 1 1 A 64 64 ALA CA C 42 55.050 54.044 1.006 1
1 487 . 18 1 1 A 64 64 ALA CB C 42 18.580 18.557 0.023 1
1 488 . 18 1 1 A 65 65 ASN H H 43 7.680 7.888 -0.208 1
1 489 . 18 1 1 A 65 65 ASN HA H 43 4.520 4.680 -0.160 1
1 494 . 18 1 1 A 65 65 ASN C C 43 175.860 175.740 0.120 1
1 495 . 18 1 1 A 65 65 ASN CA C 43 52.530 53.444 -0.914 1
1 496 . 18 1 1 A 65 65 ASN CB C 43 37.800 38.618 -0.818 1
1 497 . 18 1 1 A 65 65 ASN N N 43 112.130 115.034 -2.904 1
1 499 . 18 1 1 A 66 66 GLY H H 44 8.070 8.024 0.046 1
1 500 . 18 1 1 A 66 66 GLY HA2 H 44 4.330 3.946 0.384 1
1 501 . 18 1 1 A 66 66 GLY HA3 H 44 3.480 3.951 -0.471 1
1 502 . 18 1 1 A 66 66 GLY C C 44 174.260 173.732 0.528 1
1 503 . 18 1 1 A 66 66 GLY CA C 44 44.930 45.237 -0.307 1
1 504 . 18 1 1 A 66 66 GLY N N 44 107.650 106.599 1.051 1
1 505 . 18 1 1 A 67 67 MET H H 45 7.900 7.667 0.233 1
1 506 . 18 1 1 A 67 67 MET HA H 45 4.420 5.101 -0.681 1
1 514 . 18 1 1 A 67 67 MET CA C 45 55.520 53.405 2.115 1
1 515 . 18 1 1 A 67 67 MET CB C 45 33.630 36.436 -2.806 1
1 518 . 18 1 1 A 67 67 MET N N 45 121.850 115.917 5.933 1
1 519 . 18 1 1 A 68 68 LYS HA H 46 5.040 4.912 0.128 1
1 528 . 18 1 1 A 68 68 LYS C C 46 174.600 174.164 0.436 1
1 529 . 18 1 1 A 68 68 LYS CA C 46 55.410 55.199 0.211 1
1 530 . 18 1 1 A 68 68 LYS CB C 46 34.460 35.737 -1.277 1
1 534 . 18 1 1 A 69 69 LEU H H 47 8.830 8.566 0.264 1
1 535 . 18 1 1 A 69 69 LEU HA H 47 5.450 5.368 0.082 1
1 545 . 18 1 1 A 69 69 LEU C C 47 174.880 175.150 -0.270 1
1 546 . 18 1 1 A 69 69 LEU CA C 47 52.980 53.140 -0.160 1
1 547 . 18 1 1 A 69 69 LEU CB C 47 46.560 44.739 1.821 1
1 551 . 18 1 1 A 69 69 LEU N N 47 124.960 127.321 -2.361 1
1 552 . 18 1 1 A 70 70 GLY H H 48 9.580 9.254 0.326 1
1 553 . 18 1 1 A 70 70 GLY HA2 H 48 5.220 3.909 1.311 1
1 554 . 18 1 1 A 70 70 GLY HA3 H 48 3.090 4.085 -0.995 1
1 555 . 18 1 1 A 70 70 GLY C C 48 170.590 172.484 -1.894 1
1 556 . 18 1 1 A 70 70 GLY CA C 48 43.370 44.100 -0.730 1
1 557 . 18 1 1 A 70 70 GLY N N 48 113.940 114.083 -0.143 1
1 558 . 18 1 1 A 71 71 LEU H H 49 8.250 8.028 0.222 1
1 559 . 18 1 1 A 71 71 LEU HA H 49 5.150 4.868 0.282 1
1 569 . 18 1 1 A 71 71 LEU C C 49 173.920 174.438 -0.518 1
1 570 . 18 1 1 A 71 71 LEU CA C 49 52.770 53.966 -1.196 1
1 571 . 18 1 1 A 71 71 LEU CB C 49 43.100 44.230 -1.130 1
1 575 . 18 1 1 A 71 71 LEU N N 49 122.270 121.736 0.534 1
1 576 . 18 1 1 A 72 72 TRP H H 50 8.960 9.000 -0.040 1
1 577 . 18 1 1 A 72 72 TRP HA H 50 5.860 5.430 0.430 1
1 584 . 18 1 1 A 72 72 TRP C C 50 175.740 175.360 0.380 1
1 585 . 18 1 1 A 72 72 TRP CA C 50 53.170 55.353 -2.183 1
1 586 . 18 1 1 A 72 72 TRP CB C 50 34.990 32.586 2.404 1
1 590 . 18 1 1 A 72 72 TRP N N 50 125.010 128.754 -3.744 1
1 592 . 18 1 1 A 73 73 SER H H 51 9.010 8.852 0.158 1
1 593 . 18 1 1 A 73 73 SER HA H 51 4.570 4.806 -0.236 1
1 596 . 18 1 1 A 73 73 SER C C 51 176.240 175.708 0.532 1
1 597 . 18 1 1 A 73 73 SER CA C 51 58.490 59.299 -0.809 1
1 598 . 18 1 1 A 73 73 SER CB C 51 63.770 63.554 0.216 1
1 599 . 18 1 1 A 73 73 SER N N 51 120.380 122.171 -1.791 1
1 600 . 18 1 1 A 74 74 ARG H H 52 9.420 8.864 0.556 1
1 601 . 18 1 1 A 74 74 ARG HA H 52 3.460 3.921 -0.461 1
1 608 . 18 1 1 A 74 74 ARG C C 52 175.610 176.459 -0.849 1
1 609 . 18 1 1 A 74 74 ARG CA C 52 57.590 57.942 -0.352 1
1 610 . 18 1 1 A 74 74 ARG CB C 52 28.900 29.534 -0.634 1
1 613 . 18 1 1 A 74 74 ARG N N 52 128.770 124.120 4.650 1
1 614 . 18 1 1 A 75 75 HIS H H 53 7.910 7.836 0.074 1
1 615 . 18 1 1 A 75 75 HIS HA H 53 4.310 4.528 -0.218 1
1 619 . 18 1 1 A 75 75 HIS C C 53 176.610 175.387 1.223 1
1 620 . 18 1 1 A 75 75 HIS CA C 53 57.190 56.611 0.579 1
1 621 . 18 1 1 A 75 75 HIS CB C 53 31.260 30.179 1.081 1
1 623 . 18 1 1 A 75 75 HIS N N 53 117.320 117.286 0.034 1
1 624 . 18 1 1 A 76 76 THR H H 54 7.360 7.509 -0.149 1
1 625 . 18 1 1 A 76 76 THR HA H 54 4.540 4.535 0.005 1
1 630 . 18 1 1 A 76 76 THR C C 54 175.120 173.906 1.214 1
1 631 . 18 1 1 A 76 76 THR CA C 54 61.840 61.191 0.649 1
1 632 . 18 1 1 A 76 76 THR CB C 54 69.680 70.426 -0.746 1
1 634 . 18 1 1 A 76 76 THR N N 54 107.350 113.911 -6.561 1
1 635 . 18 1 1 A 77 77 VAL H H 55 6.630 7.107 -0.477 1
1 636 . 18 1 1 A 77 77 VAL HA H 55 2.700 2.466 0.234 1
1 644 . 18 1 1 A 77 77 VAL C C 55 173.920 174.853 -0.933 1
1 645 . 18 1 1 A 77 77 VAL CA C 55 63.500 61.701 1.799 1
1 646 . 18 1 1 A 77 77 VAL CB C 55 31.270 31.781 -0.511 1
1 649 . 18 1 1 A 77 77 VAL N N 55 123.760 122.052 1.708 1
1 650 . 18 1 1 A 78 78 GLU H H 56 6.010 8.144 -2.134 1
1 651 . 18 1 1 A 78 78 GLU HA H 56 4.160 4.711 -0.551 1
1 656 . 18 1 1 A 78 78 GLU CA C 56 53.120 52.452 0.668 1
1 657 . 18 1 1 A 78 78 GLU CB C 56 32.240 31.321 0.919 1
1 659 . 18 1 1 A 78 78 GLU N N 56 124.820 127.924 -3.104 1
1 660 . 18 1 1 A 79 79 PRO HA H 57 4.620 4.484 0.136 1
1 667 . 18 1 1 A 79 79 PRO C C 57 176.190 176.561 -0.371 1
1 668 . 18 1 1 A 79 79 PRO CA C 57 61.890 62.570 -0.680 1
1 669 . 18 1 1 A 79 79 PRO CB C 57 33.620 31.988 1.632 1
1 672 . 18 1 1 A 80 80 LYS H H 58 8.340 8.257 0.083 1
1 673 . 18 1 1 A 80 80 LYS HA H 58 3.880 4.344 -0.464 1
1 682 . 18 1 1 A 80 80 LYS C C 58 177.100 175.016 2.084 1
1 683 . 18 1 1 A 80 80 LYS CA C 58 57.610 56.716 0.894 1
1 684 . 18 1 1 A 80 80 LYS CB C 58 32.400 32.894 -0.494 1
1 688 . 18 1 1 A 80 80 LYS N N 58 121.510 122.065 -0.555 1
1 689 . 18 1 1 A 81 81 ALA H H 59 8.430 8.562 -0.132 1
1 690 . 18 1 1 A 81 81 ALA HA H 59 4.870 4.890 -0.020 1
1 694 . 18 1 1 A 81 81 ALA C C 59 177.460 176.011 1.449 1
1 695 . 18 1 1 A 81 81 ALA CA C 59 51.020 51.553 -0.533 1
1 696 . 18 1 1 A 81 81 ALA CB C 59 22.910 20.601 2.309 1
1 697 . 18 1 1 A 81 81 ALA N N 59 129.030 128.792 0.238 1
1 698 . 18 1 1 A 82 82 SER H H 60 9.680 8.928 0.752 1
1 699 . 18 1 1 A 82 82 SER HA H 60 4.510 4.951 -0.441 1
1 702 . 18 1 1 A 82 82 SER C C 60 172.960 173.695 -0.735 1
1 703 . 18 1 1 A 82 82 SER CA C 60 58.350 57.479 0.871 1
1 704 . 18 1 1 A 82 82 SER CB C 60 65.150 62.785 2.365 1
1 705 . 18 1 1 A 82 82 SER N N 60 115.930 118.509 -2.579 1
1 706 . 18 1 1 A 83 83 VAL H H 61 7.450 8.591 -1.141 1
1 707 . 18 1 1 A 83 83 VAL HA H 61 4.260 4.992 -0.732 1
1 715 . 18 1 1 A 83 83 VAL CA C 61 60.940 60.469 0.471 1
1 716 . 18 1 1 A 83 83 VAL CB C 61 35.360 35.586 -0.226 1
1 719 . 18 1 1 A 83 83 VAL N N 61 121.550 125.478 -3.928 1
1 720 . 18 1 1 A 84 84 THR H H 62 7.850 8.636 -0.786 1
1 721 . 18 1 1 A 84 84 THR HA H 62 4.750 4.886 -0.136 1
1 726 . 18 1 1 A 84 84 THR C C 62 174.040 174.071 -0.031 1
1 727 . 18 1 1 A 84 84 THR CA C 62 59.370 59.673 -0.303 1
1 728 . 18 1 1 A 84 84 THR CB C 62 68.800 71.639 -2.839 1
1 730 . 18 1 1 A 84 84 THR N N 62 111.040 117.369 -6.329 1
1 731 . 18 1 1 A 85 85 GLY H H 63 7.950 8.570 -0.620 1
1 732 . 18 1 1 A 85 85 GLY HA2 H 63 3.480 3.875 -0.395 1
1 733 . 18 1 1 A 85 85 GLY HA3 H 63 2.950 3.896 -0.946 1
1 734 . 18 1 1 A 85 85 GLY C C 63 174.140 175.174 -1.034 1
1 735 . 18 1 1 A 85 85 GLY CA C 63 45.490 46.787 -1.297 1
1 736 . 18 1 1 A 85 85 GLY N N 63 109.700 112.938 -3.238 1
1 737 . 18 1 1 A 86 86 GLY H H 64 8.530 8.119 0.411 1
1 738 . 18 1 1 A 86 86 GLY HA2 H 64 4.550 4.223 0.327 1
1 739 . 18 1 1 A 86 86 GLY HA3 H 64 3.700 4.235 -0.535 1
1 740 . 18 1 1 A 86 86 GLY C C 64 174.700 173.826 0.874 1
1 741 . 18 1 1 A 86 86 GLY CA C 64 45.600 45.735 -0.135 1
1 742 . 18 1 1 A 86 86 GLY N N 64 107.420 105.524 1.896 1
1 743 . 18 1 1 A 87 87 GLY H H 65 9.280 8.115 1.165 1
1 744 . 18 1 1 A 87 87 GLY HA2 H 65 4.860 4.181 0.679 1
1 745 . 18 1 1 A 87 87 GLY HA3 H 65 4.160 4.340 -0.180 1
1 746 . 18 1 1 A 87 87 GLY C C 65 172.640 173.401 -0.761 1
1 747 . 18 1 1 A 87 87 GLY CA C 65 45.630 45.225 0.405 1
1 748 . 18 1 1 A 87 87 GLY N N 65 111.380 109.024 2.356 1
1 749 . 18 1 1 A 88 88 GLY H H 66 6.610 8.506 -1.896 1
1 750 . 18 1 1 A 88 88 GLY HA2 H 66 4.020 4.111 -0.091 1
1 751 . 18 1 1 A 88 88 GLY HA3 H 66 2.360 4.111 -1.751 1
1 752 . 18 1 1 A 88 88 GLY C C 66 172.250 173.028 -0.778 1
1 753 . 18 1 1 A 88 88 GLY CA C 66 43.910 44.739 -0.829 1
1 754 . 18 1 1 A 88 88 GLY N N 66 105.700 108.398 -2.698 1
1 755 . 18 1 1 A 89 89 GLU H H 67 9.230 8.539 0.691 1
1 756 . 18 1 1 A 89 89 GLU HA H 67 5.100 4.902 0.198 1
1 761 . 18 1 1 A 89 89 GLU C C 67 175.770 175.706 0.064 1
1 762 . 18 1 1 A 89 89 GLU CA C 67 54.540 55.368 -0.828 1
1 763 . 18 1 1 A 89 89 GLU CB C 67 34.710 31.559 3.151 1
1 765 . 18 1 1 A 89 89 GLU N N 67 117.210 119.881 -2.671 1
1 766 . 18 1 1 A 90 90 LEU H H 68 8.470 8.795 -0.325 1
1 767 . 18 1 1 A 90 90 LEU HA H 68 5.050 4.817 0.233 1
1 777 . 18 1 1 A 90 90 LEU C C 68 175.460 175.324 0.136 1
1 778 . 18 1 1 A 90 90 LEU CA C 68 54.160 53.853 0.307 1
1 779 . 18 1 1 A 90 90 LEU CB C 68 44.250 42.289 1.961 1
1 783 . 18 1 1 A 90 90 LEU N N 68 120.420 123.471 -3.051 1
1 784 . 18 1 1 A 91 91 ALA H H 69 8.880 8.897 -0.017 1
1 785 . 18 1 1 A 91 91 ALA HA H 69 5.990 4.942 1.048 1
1 789 . 18 1 1 A 91 91 ALA C C 69 175.300 176.608 -1.308 1
1 790 . 18 1 1 A 91 91 ALA CA C 69 50.340 51.141 -0.801 1
1 791 . 18 1 1 A 91 91 ALA CB C 69 21.140 19.477 1.663 1
1 792 . 18 1 1 A 91 91 ALA N N 69 124.720 128.449 -3.729 1
1 793 . 18 1 1 A 92 92 PHE H H 70 10.090 9.678 0.412 1
1 794 . 18 1 1 A 92 92 PHE HA H 70 4.700 5.040 -0.340 1
1 802 . 18 1 1 A 92 92 PHE CA C 70 56.580 57.661 -1.081 1
1 803 . 18 1 1 A 92 92 PHE CB C 70 40.490 39.008 1.482 1
1 807 . 18 1 1 A 92 92 PHE N N 70 122.920 124.201 -1.281 1
1 808 . 18 1 1 A 93 93 ARG H H 71 9.030 9.058 -0.028 1
1 809 . 18 1 1 A 93 93 ARG HA H 71 4.460 4.488 -0.028 1
1 816 . 18 1 1 A 93 93 ARG C C 71 176.910 176.057 0.853 1
1 817 . 18 1 1 A 93 93 ARG CA C 71 55.080 56.292 -1.212 1
1 818 . 18 1 1 A 93 93 ARG CB C 71 31.950 30.846 1.104 1
1 821 . 18 1 1 A 93 93 ARG N N 71 125.390 125.333 0.057 1
1 822 . 18 1 1 A 94 94 VAL H H 72 8.470 8.121 0.349 1
1 823 . 18 1 1 A 94 94 VAL HA H 72 4.820 4.714 0.106 1
1 831 . 18 1 1 A 94 94 VAL C C 72 176.320 175.884 0.436 1
1 832 . 18 1 1 A 94 94 VAL CA C 72 59.190 58.927 0.263 1
1 833 . 18 1 1 A 94 94 VAL CB C 72 32.550 35.009 -2.459 1
1 836 . 18 1 1 A 94 94 VAL N N 72 119.430 119.347 0.083 1
1 837 . 18 1 1 A 95 95 GLU H H 73 8.160 8.924 -0.764 1
1 838 . 18 1 1 A 95 95 GLU HA H 73 3.940 4.209 -0.269 1
1 843 . 18 1 1 A 95 95 GLU C C 73 176.560 176.533 0.027 1
1 844 . 18 1 1 A 95 95 GLU CA C 73 59.620 58.777 0.843 1
1 845 . 18 1 1 A 95 95 GLU CB C 73 31.400 29.603 1.797 1
1 847 . 18 1 1 A 95 95 GLU N N 73 116.510 120.974 -4.464 1
1 848 . 18 1 1 A 96 96 ASN H H 74 7.240 7.821 -0.581 1
1 849 . 18 1 1 A 96 96 ASN HA H 74 4.780 5.025 -0.245 1
1 854 . 18 1 1 A 96 96 ASN C C 74 174.960 174.727 0.233 1
1 855 . 18 1 1 A 96 96 ASN CA C 74 51.570 51.950 -0.380 1
1 856 . 18 1 1 A 96 96 ASN CB C 74 40.130 40.358 -0.228 1
1 857 . 18 1 1 A 96 96 ASN N N 74 108.930 114.903 -5.973 1
1 859 . 18 1 1 A 97 97 ASP H H 75 8.330 9.103 -0.773 1
1 860 . 18 1 1 A 97 97 ASP HA H 75 4.190 4.469 -0.279 1
1 863 . 18 1 1 A 97 97 ASP C C 75 177.800 178.526 -0.726 1
1 864 . 18 1 1 A 97 97 ASP CA C 75 57.780 56.488 1.292 1
1 865 . 18 1 1 A 97 97 ASP CB C 75 39.230 39.543 -0.313 1
1 866 . 18 1 1 A 97 97 ASP N N 75 120.390 118.128 2.262 1
1 867 . 18 1 1 A 98 98 ALA H H 76 8.090 8.087 0.003 1
1 868 . 18 1 1 A 98 98 ALA HA H 76 4.210 3.983 0.227 1
1 872 . 18 1 1 A 98 98 ALA C C 76 181.130 180.031 1.099 1
1 873 . 18 1 1 A 98 98 ALA CA C 76 55.160 54.924 0.236 1
1 874 . 18 1 1 A 98 98 ALA CB C 76 17.440 17.733 -0.293 1
1 875 . 18 1 1 A 98 98 ALA N N 76 122.660 121.878 0.782 1
1 876 . 18 1 1 A 99 99 GLN H H 77 8.110 7.662 0.448 1
1 877 . 18 1 1 A 99 99 GLN HA H 77 4.170 4.070 0.100 1
1 884 . 18 1 1 A 99 99 GLN C C 77 180.190 178.663 1.527 1
1 885 . 18 1 1 A 99 99 GLN CA C 77 58.680 58.491 0.189 1
1 886 . 18 1 1 A 99 99 GLN CB C 77 28.590 28.582 0.008 1
1 888 . 18 1 1 A 99 99 GLN N N 77 116.870 118.401 -1.531 1
1 890 . 18 1 1 A 100 100 VAL H H 78 7.860 7.898 -0.038 1
1 891 . 18 1 1 A 100 100 VAL HA H 78 3.400 3.515 -0.115 1
1 899 . 18 1 1 A 100 100 VAL C C 78 177.510 178.025 -0.515 1
1 900 . 18 1 1 A 100 100 VAL CA C 78 67.800 66.326 1.474 1
1 901 . 18 1 1 A 100 100 VAL CB C 78 30.810 31.608 -0.798 1
1 904 . 18 1 1 A 100 100 VAL N N 78 125.200 121.059 4.141 1
1 905 . 18 1 1 A 101 101 ASP H H 79 7.810 7.830 -0.020 1
1 906 . 18 1 1 A 101 101 ASP HA H 79 4.420 4.179 0.241 1
1 909 . 18 1 1 A 101 101 ASP C C 79 175.010 178.631 -3.621 1
1 910 . 18 1 1 A 101 101 ASP CA C 79 58.490 57.170 1.320 1
1 911 . 18 1 1 A 101 101 ASP CB C 79 40.400 40.904 -0.504 1
1 912 . 18 1 1 A 101 101 ASP N N 79 119.560 120.368 -0.808 1
1 913 . 18 1 1 A 102 102 GLU H H 80 8.620 7.911 0.709 1
1 914 . 18 1 1 A 102 102 GLU HA H 80 4.080 4.079 0.001 1
1 919 . 18 1 1 A 102 102 GLU C C 80 179.540 179.472 0.068 1
1 920 . 18 1 1 A 102 102 GLU CA C 80 59.470 59.301 0.169 1
1 921 . 18 1 1 A 102 102 GLU CB C 80 30.210 29.780 0.430 1
1 923 . 18 1 1 A 102 102 GLU N N 80 121.400 118.836 2.564 1
1 924 . 18 1 1 A 103 103 THR H H 81 8.120 7.666 0.454 1
1 925 . 18 1 1 A 103 103 THR HA H 81 3.660 3.765 -0.105 1
1 930 . 18 1 1 A 103 103 THR C C 81 174.440 176.242 -1.802 1
1 931 . 18 1 1 A 103 103 THR CA C 81 66.990 66.024 0.966 1
1 932 . 18 1 1 A 103 103 THR CB C 81 68.070 67.942 0.128 1
1 934 . 18 1 1 A 103 103 THR N N 81 118.770 118.469 0.301 1
1 935 . 18 1 1 A 104 104 PHE H H 82 8.340 8.071 0.269 1
1 936 . 18 1 1 A 104 104 PHE HA H 82 3.030 3.686 -0.656 1
1 943 . 18 1 1 A 104 104 PHE C C 82 176.050 176.672 -0.622 1
1 944 . 18 1 1 A 104 104 PHE CA C 82 61.480 61.771 -0.291 1
1 945 . 18 1 1 A 104 104 PHE CB C 82 38.550 38.781 -0.231 1
1 948 . 18 1 1 A 104 104 PHE N N 82 122.350 121.934 0.416 1
1 949 . 18 1 1 A 105 105 ALA H H 83 7.780 8.422 -0.642 1
1 950 . 18 1 1 A 105 105 ALA HA H 83 3.680 4.059 -0.379 1
1 954 . 18 1 1 A 105 105 ALA C C 83 181.410 179.888 1.522 1
1 955 . 18 1 1 A 105 105 ALA CA C 83 54.880 55.061 -0.181 1
1 956 . 18 1 1 A 105 105 ALA CB C 83 18.080 18.342 -0.262 1
1 957 . 18 1 1 A 105 105 ALA N N 83 118.740 121.036 -2.296 1
1 958 . 18 1 1 A 106 106 GLY H H 84 8.120 8.174 -0.054 1
1 959 . 18 1 1 A 106 106 GLY HA2 H 84 3.910 3.581 0.329 1
1 960 . 18 1 1 A 106 106 GLY HA3 H 84 3.810 3.593 0.217 1
1 961 . 18 1 1 A 106 106 GLY C C 84 176.780 177.403 -0.623 1
1 962 . 18 1 1 A 106 106 GLY CA C 84 46.910 47.013 -0.103 1
1 963 . 18 1 1 A 106 106 GLY N N 84 107.090 105.392 1.698 1
1 964 . 18 1 1 A 107 107 TRP H H 85 9.240 7.782 1.458 1
1 965 . 18 1 1 A 107 107 TRP HA H 85 4.440 4.567 -0.127 1
1 972 . 18 1 1 A 107 107 TRP C C 85 179.210 178.279 0.931 1
1 973 . 18 1 1 A 107 107 TRP CA C 85 59.190 60.551 -1.361 1
1 974 . 18 1 1 A 107 107 TRP CB C 85 28.450 28.764 -0.314 1
1 978 . 18 1 1 A 107 107 TRP N N 85 124.820 121.927 2.893 1
1 980 . 18 1 1 A 108 108 LYS H H 86 8.610 8.166 0.444 1
1 981 . 18 1 1 A 108 108 LYS HA H 86 3.920 3.871 0.049 1
1 990 . 18 1 1 A 108 108 LYS C C 86 180.980 179.014 1.966 1
1 991 . 18 1 1 A 108 108 LYS CA C 86 60.040 59.381 0.659 1
1 992 . 18 1 1 A 108 108 LYS CB C 86 31.850 32.278 -0.428 1
1 996 . 18 1 1 A 108 108 LYS N N 86 121.490 120.583 0.907 1
1 997 . 18 1 1 A 109 109 ALA H H 87 7.890 7.923 -0.033 1
1 998 . 18 1 1 A 109 109 ALA HA H 87 4.150 4.176 -0.026 1
1 1002 . 18 1 1 A 109 109 ALA C C 87 179.050 178.526 0.524 1
1 1003 . 18 1 1 A 109 109 ALA CA C 87 54.670 54.261 0.409 1
1 1004 . 18 1 1 A 109 109 ALA CB C 87 18.010 18.315 -0.305 1
1 1005 . 18 1 1 A 109 109 ALA N N 87 121.920 121.880 0.040 1
1 1006 . 18 1 1 A 110 110 SER H H 88 7.510 7.539 -0.029 1
1 1007 . 18 1 1 A 110 110 SER HA H 88 4.450 4.595 -0.145 1
1 1010 . 18 1 1 A 110 110 SER C C 88 174.140 174.114 0.026 1
1 1011 . 18 1 1 A 110 110 SER CA C 88 58.750 58.549 0.201 1
1 1012 . 18 1 1 A 110 110 SER CB C 88 63.950 63.505 0.445 1
1 1013 . 18 1 1 A 110 110 SER N N 88 112.390 111.421 0.969 1
1 1014 . 18 1 1 A 111 111 GLY H H 89 7.790 7.678 0.112 1
1 1015 . 18 1 1 A 111 111 GLY HA2 H 89 4.180 3.972 0.208 1
1 1016 . 18 1 1 A 111 111 GLY HA3 H 89 3.700 3.988 -0.288 1
1 1017 . 18 1 1 A 111 111 GLY C C 89 174.520 174.491 0.029 1
1 1018 . 18 1 1 A 111 111 GLY CA C 89 45.530 46.906 -1.376 1
1 1019 . 18 1 1 A 111 111 GLY N N 89 108.220 110.442 -2.222 1
1 1020 . 18 1 1 A 112 112 VAL H H 90 7.660 7.473 0.187 1
1 1021 . 18 1 1 A 112 112 VAL HA H 90 3.830 4.214 -0.384 1
1 1029 . 18 1 1 A 112 112 VAL C C 90 175.430 176.916 -1.486 1
1 1030 . 18 1 1 A 112 112 VAL CA C 90 63.880 60.064 3.816 1
1 1031 . 18 1 1 A 112 112 VAL CB C 90 32.040 33.666 -1.626 1
1 1034 . 18 1 1 A 112 112 VAL N N 90 122.880 119.574 3.306 1
1 1035 . 18 1 1 A 113 113 ALA H H 91 8.720 8.377 0.343 1
1 1036 . 18 1 1 A 113 113 ALA HA H 91 4.210 3.983 0.227 1
1 1040 . 18 1 1 A 113 113 ALA C C 91 176.290 177.684 -1.394 1
1 1041 . 18 1 1 A 113 113 ALA CA C 91 52.900 55.351 -2.451 1
1 1042 . 18 1 1 A 113 113 ALA CB C 91 19.290 18.552 0.738 1
1 1043 . 18 1 1 A 113 113 ALA N N 91 132.080 129.738 2.342 1
1 1044 . 18 1 1 A 114 114 MET H H 92 8.260 7.651 0.609 1
1 1045 . 18 1 1 A 114 114 MET HA H 92 5.330 4.164 1.166 1
1 1051 . 18 1 1 A 114 114 MET C C 92 176.780 176.128 0.652 1
1 1052 . 18 1 1 A 114 114 MET CA C 92 53.390 56.227 -2.837 1
1 1053 . 18 1 1 A 114 114 MET CB C 92 33.450 31.120 2.330 1
1 1055 . 18 1 1 A 114 114 MET N N 92 116.930 116.630 0.300 1
1 1056 . 18 1 1 A 115 115 LEU H H 93 8.990 8.109 0.881 1
1 1057 . 18 1 1 A 115 115 LEU HA H 93 4.550 5.075 -0.525 1
1 1067 . 18 1 1 A 115 115 LEU C C 93 176.630 175.556 1.074 1
1 1068 . 18 1 1 A 115 115 LEU CA C 93 55.140 53.652 1.488 1
1 1069 . 18 1 1 A 115 115 LEU CB C 93 44.810 42.810 2.000 1
1 1073 . 18 1 1 A 115 115 LEU N N 93 122.250 116.894 5.356 1
1 1074 . 18 1 1 A 116 116 GLN H H 94 8.280 8.360 -0.080 1
1 1075 . 18 1 1 A 116 116 GLN HA H 94 4.700 4.662 0.038 1
1 1080 . 18 1 1 A 116 116 GLN C C 94 174.860 174.152 0.708 1
1 1081 . 18 1 1 A 116 116 GLN CA C 94 55.600 55.744 -0.144 1
1 1082 . 18 1 1 A 116 116 GLN CB C 94 33.510 32.295 1.215 1
1 1083 . 18 1 1 A 116 116 GLN N N 94 121.140 123.215 -2.075 1
1 1085 . 18 1 1 A 117 117 GLN H H 95 8.490 8.662 -0.172 1
1 1086 . 18 1 1 A 117 117 GLN HA H 95 4.080 4.785 -0.705 1
1 1093 . 18 1 1 A 117 117 GLN CA C 95 54.860 53.230 1.630 1
1 1094 . 18 1 1 A 117 117 GLN CB C 95 26.550 29.158 -2.608 1
1 1096 . 18 1 1 A 117 117 GLN N N 95 125.610 125.511 0.099 1
1 1098 . 18 1 1 A 118 118 PRO HA H 96 4.410 4.631 -0.221 1
1 1103 . 18 1 1 A 118 118 PRO C C 96 176.290 175.779 0.511 1
1 1104 . 18 1 1 A 118 118 PRO CA C 96 64.130 63.079 1.051 1
1 1105 . 18 1 1 A 118 118 PRO CB C 96 30.550 31.668 -1.118 1
1 1107 . 18 1 1 A 119 119 ALA H H 97 8.980 8.205 0.775 1
1 1108 . 18 1 1 A 119 119 ALA HA H 97 4.550 4.917 -0.367 1
1 1112 . 18 1 1 A 119 119 ALA C C 97 175.820 175.999 -0.179 1
1 1113 . 18 1 1 A 119 119 ALA CA C 97 51.100 50.403 0.697 1
1 1114 . 18 1 1 A 119 119 ALA CB C 97 22.150 22.313 -0.163 1
1 1115 . 18 1 1 A 119 119 ALA N N 97 126.580 126.240 0.340 1
1 1116 . 18 1 1 A 120 120 LYS H H 98 8.710 8.589 0.121 1
1 1117 . 18 1 1 A 120 120 LYS HA H 98 4.450 4.659 -0.209 1
1 1126 . 18 1 1 A 120 120 LYS C C 98 175.950 175.512 0.438 1
1 1127 . 18 1 1 A 120 120 LYS CA C 98 56.360 56.539 -0.179 1
1 1128 . 18 1 1 A 120 120 LYS CB C 98 32.090 33.117 -1.027 1
1 1132 . 18 1 1 A 120 120 LYS N N 98 121.330 122.794 -1.464 1
1 1133 . 18 1 1 A 121 121 MET H H 99 8.130 8.412 -0.282 1
1 1138 . 18 1 1 A 121 121 MET N N 99 125.590 127.557 -1.967 1
1 1139 . 18 1 1 A 122 122 GLU HA H 100 3.890 3.883 0.007 1
1 1144 . 18 1 1 A 122 122 GLU C C 100 176.450 176.055 0.395 1
1 1145 . 18 1 1 A 122 122 GLU CA C 100 59.740 58.602 1.138 1
1 1146 . 18 1 1 A 122 122 GLU CB C 100 29.200 28.778 0.422 1
1 1148 . 18 1 1 A 123 123 PHE H H 101 6.120 7.554 -1.434 1
1 1149 . 18 1 1 A 123 123 PHE HA H 101 4.430 4.828 -0.398 1
1 1152 . 18 1 1 A 123 123 PHE C C 101 173.950 175.569 -1.619 1
1 1153 . 18 1 1 A 123 123 PHE CA C 101 54.750 55.947 -1.197 1
1 1154 . 18 1 1 A 123 123 PHE CB C 101 38.630 40.405 -1.775 1
1 1155 . 18 1 1 A 123 123 PHE N N 101 108.900 116.542 -7.642 1
1 1156 . 18 1 1 A 124 124 GLY H H 102 6.670 8.851 -2.181 1
1 1157 . 18 1 1 A 124 124 GLY HA2 H 102 4.780 4.252 0.528 1
1 1158 . 18 1 1 A 124 124 GLY HA3 H 102 3.770 4.476 -0.706 1
1 1159 . 18 1 1 A 124 124 GLY C C 102 170.410 173.145 -2.735 1
1 1160 . 18 1 1 A 124 124 GLY CA C 102 44.570 45.081 -0.511 1
1 1161 . 18 1 1 A 124 124 GLY N N 102 108.900 114.285 -5.385 1
1 1162 . 18 1 1 A 125 125 TYR H H 103 8.210 8.556 -0.346 1
1 1163 . 18 1 1 A 125 125 TYR HA H 103 5.080 4.765 0.315 1
1 1170 . 18 1 1 A 125 125 TYR C C 103 175.980 174.507 1.473 1
1 1171 . 18 1 1 A 125 125 TYR CA C 103 56.530 56.827 -0.297 1
1 1172 . 18 1 1 A 125 125 TYR CB C 103 40.180 38.772 1.408 1
1 1175 . 18 1 1 A 125 125 TYR N N 103 123.360 121.499 1.861 1
1 1176 . 18 1 1 A 126 126 THR H H 104 8.450 8.761 -0.311 1
1 1177 . 18 1 1 A 126 126 THR HA H 104 5.630 5.346 0.284 1
1 1182 . 18 1 1 A 126 126 THR C C 104 170.010 172.534 -2.524 1
1 1183 . 18 1 1 A 126 126 THR CA C 104 58.490 60.144 -1.654 1
1 1184 . 18 1 1 A 126 126 THR CB C 104 72.110 71.873 0.237 1
1 1186 . 18 1 1 A 126 126 THR N N 104 120.720 122.150 -1.430 1
1 1187 . 18 1 1 A 127 127 PHE H H 105 8.170 9.122 -0.952 1
1 1188 . 18 1 1 A 127 127 PHE HA H 105 4.620 5.336 -0.716 1
1 1195 . 18 1 1 A 127 127 PHE C C 105 172.490 173.382 -0.892 1
1 1196 . 18 1 1 A 127 127 PHE CA C 105 56.610 56.788 -0.178 1
1 1197 . 18 1 1 A 127 127 PHE CB C 105 41.710 43.196 -1.486 1
1 1200 . 18 1 1 A 127 127 PHE N N 105 120.530 128.186 -7.656 1
1 1201 . 18 1 1 A 128 128 THR H H 106 8.450 8.525 -0.075 1
1 1202 . 18 1 1 A 128 128 THR HA H 106 5.090 5.087 0.003 1
1 1207 . 18 1 1 A 128 128 THR C C 106 172.750 173.106 -0.356 1
1 1208 . 18 1 1 A 128 128 THR CA C 106 63.340 60.699 2.641 1
1 1209 . 18 1 1 A 128 128 THR CB C 106 70.420 72.046 -1.626 1
1 1211 . 18 1 1 A 128 128 THR N N 106 114.010 119.222 -5.212 1
1 1212 . 18 1 1 A 129 129 ALA H H 107 10.030 8.839 1.191 1
1 1213 . 18 1 1 A 129 129 ALA HA H 107 5.540 5.148 0.392 1
1 1217 . 18 1 1 A 129 129 ALA C C 107 179.620 175.659 3.961 1
1 1218 . 18 1 1 A 129 129 ALA CA C 107 50.640 50.111 0.529 1
1 1219 . 18 1 1 A 129 129 ALA CB C 107 24.570 22.518 2.052 1
1 1220 . 18 1 1 A 129 129 ALA N N 107 135.110 128.926 6.184 1
1 1221 . 18 1 1 A 130 130 ALA H H 108 8.650 8.729 -0.079 1
1 1222 . 18 1 1 A 130 130 ALA HA H 108 5.380 5.101 0.279 1
1 1226 . 18 1 1 A 130 130 ALA C C 108 175.480 177.029 -1.549 1
1 1227 . 18 1 1 A 130 130 ALA CA C 108 50.100 50.027 0.073 1
1 1228 . 18 1 1 A 130 130 ALA CB C 108 22.770 20.897 1.873 1
1 1229 . 18 1 1 A 130 130 ALA N N 108 121.150 122.389 -1.239 1
1 1230 . 18 1 1 A 131 131 ASP H H 109 8.770 8.571 0.199 1
1 1231 . 18 1 1 A 131 131 ASP HA H 109 3.910 4.221 -0.311 1
1 1234 . 18 1 1 A 131 131 ASP CA C 109 51.290 52.580 -1.290 1
1 1235 . 18 1 1 A 131 131 ASP CB C 109 41.350 39.583 1.767 1
1 1236 . 18 1 1 A 131 131 ASP N N 109 123.100 123.080 0.020 1
1 1237 . 18 1 1 A 132 132 PRO HA H 110 4.140 4.141 -0.001 1
1 1242 . 18 1 1 A 132 132 PRO C C 110 176.890 177.209 -0.319 1
1 1243 . 18 1 1 A 132 132 PRO CA C 110 65.730 64.262 1.468 1
1 1244 . 18 1 1 A 132 132 PRO CB C 110 31.850 31.536 0.314 1
1 1246 . 18 1 1 A 133 133 ASP H H 111 8.740 7.424 1.316 1
1 1247 . 18 1 1 A 133 133 ASP HA H 111 4.800 4.514 0.286 1
1 1250 . 18 1 1 A 133 133 ASP C C 111 173.720 175.558 -1.838 1
1 1251 . 18 1 1 A 133 133 ASP CA C 111 54.140 55.102 -0.962 1
1 1252 . 18 1 1 A 133 133 ASP CB C 111 42.910 41.312 1.598 1
1 1253 . 18 1 1 A 133 133 ASP N N 111 118.220 116.804 1.416 1
1 1254 . 18 1 1 A 134 134 SER H H 112 8.370 7.737 0.633 1
1 1255 . 18 1 1 A 134 134 SER HA H 112 3.710 3.969 -0.259 1
1 1258 . 18 1 1 A 134 134 SER CA C 112 60.670 58.722 1.948 1
1 1259 . 18 1 1 A 134 134 SER CB C 112 61.430 61.584 -0.154 1
1 1260 . 18 1 1 A 134 134 SER N N 112 109.220 112.610 -3.390 1
1 1261 . 18 1 1 A 135 135 HIS H H 113 8.850 7.564 1.286 1
1 1268 . 18 1 1 A 135 135 HIS N N 113 122.820 119.997 2.823 1
1 1269 . 18 1 1 A 136 136 ARG HA H 114 4.680 4.624 0.056 1
1 1270 . 18 1 1 A 136 136 ARG C C 114 175.220 173.989 1.231 1
1 1271 . 18 1 1 A 136 136 ARG CA C 114 57.560 56.081 1.479 1
1 1272 . 18 1 1 A 137 137 LEU H H 115 8.680 8.676 0.004 1
1 1273 . 18 1 1 A 137 137 LEU HA H 115 5.490 5.194 0.296 1
1 1282 . 18 1 1 A 137 137 LEU C C 115 174.620 175.085 -0.465 1
1 1283 . 18 1 1 A 137 137 LEU CA C 115 52.580 54.121 -1.541 1
1 1284 . 18 1 1 A 137 137 LEU CB C 115 43.070 44.201 -1.131 1
1 1287 . 18 1 1 A 137 137 LEU N N 115 123.990 127.319 -3.329 1
1 1288 . 18 1 1 A 138 138 ARG H H 116 9.510 9.332 0.178 1
1 1289 . 18 1 1 A 138 138 ARG HA H 116 5.120 5.280 -0.160 1
1 1292 . 18 1 1 A 138 138 ARG C C 116 175.090 175.021 0.069 1
1 1293 . 18 1 1 A 138 138 ARG CA C 116 54.700 55.002 -0.302 1
1 1294 . 18 1 1 A 138 138 ARG CB C 116 33.480 31.997 1.483 1
1 1295 . 18 1 1 A 138 138 ARG N N 116 125.370 127.176 -1.806 1
1 1296 . 18 1 1 A 139 139 VAL H H 117 7.970 8.875 -0.905 1
1 1297 . 18 1 1 A 139 139 VAL HA H 117 5.280 5.330 -0.050 1
1 1305 . 18 1 1 A 139 139 VAL C C 117 176.390 175.160 1.230 1
1 1306 . 18 1 1 A 139 139 VAL CA C 117 60.090 61.350 -1.260 1
1 1307 . 18 1 1 A 139 139 VAL CB C 117 32.690 34.670 -1.980 1
1 1310 . 18 1 1 A 139 139 VAL N N 117 128.260 125.054 3.206 1
1 1311 . 18 1 1 A 140 140 TYR H H 118 9.200 8.783 0.417 1
1 1312 . 18 1 1 A 140 140 TYR HA H 118 5.800 6.060 -0.260 1
1 1319 . 18 1 1 A 140 140 TYR C C 118 170.820 172.812 -1.992 1
1 1320 . 18 1 1 A 140 140 TYR CA C 118 56.060 55.206 0.854 1
1 1321 . 18 1 1 A 140 140 TYR CB C 118 42.460 42.085 0.375 1
1 1324 . 18 1 1 A 140 140 TYR N N 118 127.020 124.021 2.999 1
1 1325 . 18 1 1 A 141 141 ALA H H 119 8.330 8.955 -0.625 1
1 1326 . 18 1 1 A 141 141 ALA HA H 119 4.560 4.980 -0.420 1
1 1330 . 18 1 1 A 141 141 ALA C C 119 177.150 176.183 0.967 1
1 1331 . 18 1 1 A 141 141 ALA CA C 119 50.530 50.270 0.260 1
1 1332 . 18 1 1 A 141 141 ALA CB C 119 21.220 20.543 0.677 1
1 1333 . 18 1 1 A 141 141 ALA N N 119 121.160 123.052 -1.892 1
1 1334 . 18 1 1 A 142 142 PHE H H 120 8.780 8.542 0.238 1
1 1335 . 18 1 1 A 142 142 PHE HA H 120 4.910 4.861 0.049 1
1 1340 . 18 1 1 A 142 142 PHE C C 120 175.090 174.301 0.789 1
1 1341 . 18 1 1 A 142 142 PHE CA C 120 57.720 57.456 0.264 1
1 1342 . 18 1 1 A 142 142 PHE CB C 120 40.810 39.299 1.511 1
1 1344 . 18 1 1 A 142 142 PHE N N 120 122.630 126.470 -3.840 1
1 1345 . 18 1 1 A 143 143 ALA H H 121 8.190 8.319 -0.129 1
1 1346 . 18 1 1 A 143 143 ALA HA H 121 4.330 4.259 0.071 1
1 1350 . 18 1 1 A 143 143 ALA C C 121 176.260 177.069 -0.809 1
1 1351 . 18 1 1 A 143 143 ALA CA C 121 52.280 51.396 0.884 1
1 1352 . 18 1 1 A 143 143 ALA CB C 121 19.310 18.418 0.892 1
1 1353 . 18 1 1 A 143 143 ALA N N 121 129.460 129.901 -0.441 1
1 16 . 19 1 1 A 24 24 THR H H 2 8.350 7.386 0.964 1
1 17 . 19 1 1 A 24 24 THR HA H 2 4.470 4.925 -0.455 1
1 22 . 19 1 1 A 24 24 THR CA C 2 61.890 61.316 0.574 1
1 23 . 19 1 1 A 24 24 THR CB C 2 69.630 72.498 -2.868 1
1 25 . 19 1 1 A 24 24 THR N N 2 117.720 114.634 3.086 1
1 26 . 19 1 1 A 25 25 HIS H H 3 8.630 8.863 -0.233 1
1 27 . 19 1 1 A 25 25 HIS HA H 3 5.200 5.127 0.073 1
1 30 . 19 1 1 A 25 25 HIS CA C 3 51.620 52.961 -1.341 1
1 31 . 19 1 1 A 25 25 HIS CB C 3 33.320 30.459 2.861 1
1 32 . 19 1 1 A 25 25 HIS N N 3 124.890 123.946 0.944 1
1 33 . 19 1 1 A 26 26 PRO HA H 4 4.170 4.711 -0.541 1
1 40 . 19 1 1 A 26 26 PRO C C 4 175.740 176.421 -0.681 1
1 41 . 19 1 1 A 26 26 PRO CA C 4 62.740 62.481 0.259 1
1 42 . 19 1 1 A 26 26 PRO CB C 4 31.460 31.365 0.095 1
1 45 . 19 1 1 A 27 27 ASP H H 5 8.270 8.979 -0.709 1
1 46 . 19 1 1 A 27 27 ASP HA H 5 4.810 4.975 -0.165 1
1 49 . 19 1 1 A 27 27 ASP C C 5 175.400 175.724 -0.324 1
1 50 . 19 1 1 A 27 27 ASP CA C 5 53.310 53.677 -0.367 1
1 51 . 19 1 1 A 27 27 ASP CB C 5 42.390 41.927 0.463 1
1 52 . 19 1 1 A 27 27 ASP N N 5 119.440 124.155 -4.715 1
1 53 . 19 1 1 A 28 28 PHE H H 6 7.280 7.823 -0.543 1
1 54 . 19 1 1 A 28 28 PHE HA H 6 5.440 5.153 0.287 1
1 61 . 19 1 1 A 28 28 PHE C C 6 174.180 173.233 0.947 1
1 62 . 19 1 1 A 28 28 PHE CA C 6 54.590 55.471 -0.881 1
1 63 . 19 1 1 A 28 28 PHE CB C 6 42.310 41.706 0.604 1
1 66 . 19 1 1 A 28 28 PHE N N 6 118.410 120.025 -1.615 1
1 67 . 19 1 1 A 29 29 THR H H 7 8.500 9.152 -0.652 1
1 68 . 19 1 1 A 29 29 THR HA H 7 4.800 5.024 -0.224 1
1 73 . 19 1 1 A 29 29 THR C C 7 172.280 172.660 -0.380 1
1 74 . 19 1 1 A 29 29 THR CA C 7 62.550 59.633 2.917 1
1 75 . 19 1 1 A 29 29 THR CB C 7 70.420 71.340 -0.920 1
1 77 . 19 1 1 A 29 29 THR N N 7 123.070 122.335 0.735 1
1 78 . 19 1 1 A 30 30 ILE H H 8 9.270 9.133 0.137 1
1 79 . 19 1 1 A 30 30 ILE HA H 8 4.680 4.724 -0.044 1
1 89 . 19 1 1 A 30 30 ILE C C 8 173.970 174.470 -0.500 1
1 90 . 19 1 1 A 30 30 ILE CA C 8 59.220 59.668 -0.448 1
1 91 . 19 1 1 A 30 30 ILE CB C 8 40.210 41.161 -0.951 1
1 95 . 19 1 1 A 30 30 ILE N N 8 126.920 127.537 -0.617 1
1 96 . 19 1 1 A 31 31 LEU H H 9 8.760 8.804 -0.044 1
1 97 . 19 1 1 A 31 31 LEU HA H 9 4.330 5.041 -0.711 1
1 107 . 19 1 1 A 31 31 LEU C C 9 176.520 175.444 1.076 1
1 108 . 19 1 1 A 31 31 LEU CA C 9 52.960 53.805 -0.845 1
1 109 . 19 1 1 A 31 31 LEU CB C 9 41.820 44.216 -2.396 1
1 113 . 19 1 1 A 31 31 LEU N N 9 126.000 126.787 -0.787 1
1 114 . 19 1 1 A 32 32 TYR H H 10 8.190 8.967 -0.777 1
1 115 . 19 1 1 A 32 32 TYR HA H 10 5.980 5.798 0.182 1
1 118 . 19 1 1 A 32 32 TYR C C 10 177.720 175.031 2.689 1
1 119 . 19 1 1 A 32 32 TYR CA C 10 53.120 55.874 -2.754 1
1 120 . 19 1 1 A 32 32 TYR CB C 10 36.560 40.389 -3.829 1
1 121 . 19 1 1 A 32 32 TYR N N 10 122.130 120.919 1.211 1
1 122 . 19 1 1 A 33 33 VAL H H 11 8.470 9.053 -0.583 1
1 123 . 19 1 1 A 33 33 VAL HA H 11 4.990 4.919 0.071 1
1 131 . 19 1 1 A 33 33 VAL C C 11 176.030 174.776 1.254 1
1 132 . 19 1 1 A 33 33 VAL CA C 11 58.240 59.021 -0.781 1
1 133 . 19 1 1 A 33 33 VAL CB C 11 35.090 35.265 -0.175 1
1 136 . 19 1 1 A 33 33 VAL N N 11 113.820 118.785 -4.965 1
1 137 . 19 1 1 A 34 34 ASP H H 12 9.750 8.606 1.144 1
1 138 . 19 1 1 A 34 34 ASP HA H 12 4.550 5.054 -0.504 1
1 141 . 19 1 1 A 34 34 ASP C C 12 177.230 175.217 2.013 1
1 142 . 19 1 1 A 34 34 ASP CA C 12 58.000 53.353 4.647 1
1 143 . 19 1 1 A 34 34 ASP CB C 12 42.780 40.714 2.066 1
1 144 . 19 1 1 A 34 34 ASP N N 12 124.140 120.312 3.828 1
1 145 . 19 1 1 A 35 35 ASN H H 13 9.250 7.889 1.361 1
1 146 . 19 1 1 A 35 35 ASN HA H 13 5.120 4.984 0.136 1
1 151 . 19 1 1 A 35 35 ASN CA C 13 50.610 51.518 -0.908 1
1 152 . 19 1 1 A 35 35 ASN CB C 13 39.920 38.623 1.297 1
1 153 . 19 1 1 A 35 35 ASN N N 13 114.460 116.931 -2.471 1
1 155 . 19 1 1 A 37 37 PRO HA H 15 4.350 4.265 0.085 1
1 162 . 19 1 1 A 37 37 PRO C C 15 179.310 179.494 -0.184 1
1 163 . 19 1 1 A 37 37 PRO CA C 15 67.480 66.700 0.780 1
1 164 . 19 1 1 A 37 37 PRO CB C 15 31.340 30.828 0.512 1
1 167 . 19 1 1 A 38 38 ALA H H 16 7.740 8.223 -0.483 1
1 168 . 19 1 1 A 38 38 ALA HA H 16 4.310 4.131 0.179 1
1 172 . 19 1 1 A 38 38 ALA C C 16 182.490 179.917 2.573 1
1 173 . 19 1 1 A 38 38 ALA CA C 16 55.160 55.168 -0.008 1
1 174 . 19 1 1 A 38 38 ALA CB C 16 18.360 18.355 0.005 1
1 175 . 19 1 1 A 38 38 ALA N N 16 121.510 119.372 2.138 1
1 176 . 19 1 1 A 39 39 SER H H 17 8.770 7.561 1.209 1
1 177 . 19 1 1 A 39 39 SER HA H 17 4.190 4.321 -0.131 1
1 180 . 19 1 1 A 39 39 SER C C 17 175.610 177.459 -1.849 1
1 181 . 19 1 1 A 39 39 SER CA C 17 64.260 61.480 2.780 1
1 182 . 19 1 1 A 39 39 SER CB C 17 62.790 63.136 -0.346 1
1 183 . 19 1 1 A 39 39 SER N N 17 117.520 113.731 3.789 1
1 184 . 19 1 1 A 40 40 THR H H 18 9.310 7.830 1.480 1
1 185 . 19 1 1 A 40 40 THR HA H 18 4.480 4.357 0.123 1
1 190 . 19 1 1 A 40 40 THR C C 18 175.590 177.391 -1.801 1
1 191 . 19 1 1 A 40 40 THR CA C 18 68.130 66.431 1.699 1
1 192 . 19 1 1 A 40 40 THR CB C 18 68.480 68.508 -0.028 1
1 194 . 19 1 1 A 40 40 THR N N 18 120.600 117.058 3.542 1
1 195 . 19 1 1 A 41 41 GLN H H 19 7.610 7.957 -0.347 1
1 196 . 19 1 1 A 41 41 GLN HA H 19 4.080 4.105 -0.025 1
1 203 . 19 1 1 A 41 41 GLN C C 19 178.110 178.308 -0.198 1
1 204 . 19 1 1 A 41 41 GLN CA C 19 59.170 59.188 -0.018 1
1 205 . 19 1 1 A 41 41 GLN CB C 19 28.170 28.315 -0.145 1
1 207 . 19 1 1 A 41 41 GLN N N 19 120.130 121.005 -0.875 1
1 209 . 19 1 1 A 42 42 PHE H H 20 7.710 7.958 -0.248 1
1 210 . 19 1 1 A 42 42 PHE HA H 20 4.080 4.231 -0.151 1
1 218 . 19 1 1 A 42 42 PHE C C 20 177.460 177.105 0.355 1
1 219 . 19 1 1 A 42 42 PHE CA C 20 61.760 61.432 0.328 1
1 220 . 19 1 1 A 42 42 PHE CB C 20 38.590 38.902 -0.312 1
1 224 . 19 1 1 A 42 42 PHE N N 20 120.560 122.095 -1.535 1
1 225 . 19 1 1 A 43 43 TYR H H 21 8.890 8.387 0.503 1
1 226 . 19 1 1 A 43 43 TYR HA H 21 3.700 4.133 -0.433 1
1 233 . 19 1 1 A 43 43 TYR C C 21 177.640 178.145 -0.505 1
1 234 . 19 1 1 A 43 43 TYR CA C 21 64.290 61.561 2.729 1
1 235 . 19 1 1 A 43 43 TYR CB C 21 38.110 37.489 0.621 1
1 238 . 19 1 1 A 43 43 TYR N N 21 118.420 118.065 0.355 1
1 239 . 19 1 1 A 44 44 LYS H H 22 8.860 8.070 0.790 1
1 240 . 19 1 1 A 44 44 LYS HA H 22 4.630 3.760 0.870 1
1 249 . 19 1 1 A 44 44 LYS C C 22 179.780 178.885 0.895 1
1 250 . 19 1 1 A 44 44 LYS CA C 22 59.630 59.553 0.077 1
1 251 . 19 1 1 A 44 44 LYS CB C 22 33.210 32.447 0.763 1
1 255 . 19 1 1 A 44 44 LYS N N 22 122.200 120.141 2.059 1
1 256 . 19 1 1 A 45 45 ALA H H 23 7.180 7.457 -0.277 1
1 257 . 19 1 1 A 45 45 ALA HA H 23 4.040 4.024 0.016 1
1 261 . 19 1 1 A 45 45 ALA C C 23 179.130 180.137 -1.007 1
1 262 . 19 1 1 A 45 45 ALA CA C 23 54.350 54.698 -0.348 1
1 263 . 19 1 1 A 45 45 ALA CB C 23 18.030 18.344 -0.314 1
1 264 . 19 1 1 A 45 45 ALA N N 23 120.710 122.004 -1.294 1
1 265 . 19 1 1 A 46 46 LEU H H 24 7.510 7.639 -0.129 1
1 266 . 19 1 1 A 46 46 LEU HA H 24 3.550 3.886 -0.336 1
1 276 . 19 1 1 A 46 46 LEU C C 24 178.680 178.629 0.051 1
1 277 . 19 1 1 A 46 46 LEU CA C 24 57.910 57.440 0.470 1
1 278 . 19 1 1 A 46 46 LEU CB C 24 43.950 41.396 2.554 1
1 282 . 19 1 1 A 46 46 LEU N N 24 118.650 120.140 -1.490 1
1 283 . 19 1 1 A 47 47 LEU H H 25 8.800 7.603 1.197 1
1 284 . 19 1 1 A 47 47 LEU HA H 25 4.480 4.476 0.004 1
1 294 . 19 1 1 A 47 47 LEU C C 25 178.960 177.216 1.744 1
1 295 . 19 1 1 A 47 47 LEU CA C 25 55.010 56.056 -1.046 1
1 296 . 19 1 1 A 47 47 LEU CB C 25 42.500 42.654 -0.154 1
1 300 . 19 1 1 A 47 47 LEU N N 25 112.540 117.427 -4.887 1
1 301 . 19 1 1 A 48 48 GLY H H 26 7.810 8.240 -0.430 1
1 302 . 19 1 1 A 48 48 GLY HA2 H 26 4.030 3.953 0.077 1
1 303 . 19 1 1 A 48 48 GLY HA3 H 26 3.900 3.974 -0.074 1
1 304 . 19 1 1 A 48 48 GLY C C 26 173.560 173.779 -0.219 1
1 305 . 19 1 1 A 48 48 GLY CA C 26 46.810 45.537 1.273 1
1 306 . 19 1 1 A 48 48 GLY N N 26 107.650 106.261 1.389 1
1 307 . 19 1 1 A 49 49 VAL H H 27 7.100 7.307 -0.207 1
1 308 . 19 1 1 A 49 49 VAL HA H 27 4.700 4.840 -0.140 1
1 316 . 19 1 1 A 49 49 VAL C C 27 172.980 173.723 -0.743 1
1 317 . 19 1 1 A 49 49 VAL CA C 27 58.680 59.090 -0.410 1
1 318 . 19 1 1 A 49 49 VAL CB C 27 36.090 36.184 -0.094 1
1 321 . 19 1 1 A 49 49 VAL N N 27 110.770 114.960 -4.190 1
1 322 . 19 1 1 A 50 50 ASP H H 28 8.100 8.883 -0.783 1
1 323 . 19 1 1 A 50 50 ASP HA H 28 4.930 5.340 -0.410 1
1 326 . 19 1 1 A 50 50 ASP CA C 28 52.550 51.281 1.269 1
1 327 . 19 1 1 A 50 50 ASP CB C 28 40.520 43.612 -3.092 1
1 328 . 19 1 1 A 50 50 ASP N N 28 119.760 119.841 -0.081 1
1 329 . 19 1 1 A 51 51 PRO HA H 29 3.700 4.827 -1.127 1
1 336 . 19 1 1 A 51 51 PRO C C 29 176.580 177.914 -1.334 1
1 337 . 19 1 1 A 51 51 PRO CA C 29 62.900 62.976 -0.076 1
1 338 . 19 1 1 A 51 51 PRO CB C 29 30.550 31.812 -1.262 1
1 341 . 19 1 1 A 52 52 VAL H H 30 8.340 8.386 -0.046 1
1 342 . 19 1 1 A 52 52 VAL HA H 30 4.080 4.095 -0.015 1
1 350 . 19 1 1 A 52 52 VAL C C 30 176.190 175.588 0.602 1
1 351 . 19 1 1 A 52 52 VAL CA C 30 62.790 63.916 -1.126 1
1 352 . 19 1 1 A 52 52 VAL CB C 30 32.280 32.675 -0.395 1
1 355 . 19 1 1 A 52 52 VAL N N 30 117.320 123.893 -6.573 1
1 356 . 19 1 1 A 53 53 GLU H H 31 7.170 7.681 -0.511 1
1 357 . 19 1 1 A 53 53 GLU HA H 31 4.580 4.818 -0.238 1
1 362 . 19 1 1 A 53 53 GLU C C 31 174.940 175.143 -0.203 1
1 363 . 19 1 1 A 53 53 GLU CA C 31 55.330 54.927 0.403 1
1 364 . 19 1 1 A 53 53 GLU CB C 31 33.370 33.587 -0.217 1
1 366 . 19 1 1 A 53 53 GLU N N 31 118.180 119.880 -1.700 1
1 367 . 19 1 1 A 54 54 SER H H 32 8.650 8.746 -0.096 1
1 368 . 19 1 1 A 54 54 SER HA H 32 5.130 5.288 -0.158 1
1 371 . 19 1 1 A 54 54 SER C C 32 171.990 173.293 -1.303 1
1 372 . 19 1 1 A 54 54 SER CA C 32 57.940 57.124 0.816 1
1 373 . 19 1 1 A 54 54 SER CB C 32 64.720 65.876 -1.156 1
1 374 . 19 1 1 A 54 54 SER N N 32 117.210 117.247 -0.037 1
1 375 . 19 1 1 A 55 55 SER H H 33 8.760 8.849 -0.089 1
1 376 . 19 1 1 A 55 55 SER N N 33 124.420 117.899 6.521 1
1 377 . 19 1 1 A 56 56 PRO HA H 34 4.320 4.355 -0.035 1
1 382 . 19 1 1 A 56 56 PRO C C 34 177.290 177.146 0.144 1
1 383 . 19 1 1 A 56 56 PRO CA C 34 65.750 65.120 0.630 1
1 384 . 19 1 1 A 56 56 PRO CB C 34 32.490 31.669 0.821 1
1 386 . 19 1 1 A 57 57 THR H H 35 7.810 8.053 -0.243 1
1 387 . 19 1 1 A 57 57 THR HA H 35 4.630 4.710 -0.080 1
1 392 . 19 1 1 A 57 57 THR C C 35 174.080 173.566 0.514 1
1 393 . 19 1 1 A 57 57 THR CA C 35 61.860 61.079 0.781 1
1 394 . 19 1 1 A 57 57 THR CB C 35 70.940 69.776 1.164 1
1 396 . 19 1 1 A 57 57 THR N N 35 101.710 110.001 -8.291 1
1 397 . 19 1 1 A 58 58 PHE H H 36 7.670 7.253 0.417 1
1 398 . 19 1 1 A 58 58 PHE HA H 36 5.780 4.635 1.145 1
1 405 . 19 1 1 A 58 58 PHE CA C 36 57.820 57.789 0.031 1
1 406 . 19 1 1 A 58 58 PHE CB C 36 43.010 42.440 0.570 1
1 409 . 19 1 1 A 58 58 PHE N N 36 124.370 121.911 2.459 1
1 410 . 19 1 1 A 59 59 SER H H 37 8.070 7.705 0.365 1
1 411 . 19 1 1 A 59 59 SER HA H 37 4.890 4.878 0.012 1
1 414 . 19 1 1 A 59 59 SER C C 37 170.010 172.655 -2.645 1
1 415 . 19 1 1 A 59 59 SER CA C 37 56.660 56.940 -0.280 1
1 416 . 19 1 1 A 59 59 SER CB C 37 67.490 65.976 1.514 1
1 417 . 19 1 1 A 59 59 SER N N 37 122.930 119.840 3.090 1
1 418 . 19 1 1 A 60 60 LEU H H 38 8.140 8.169 -0.029 1
1 419 . 19 1 1 A 60 60 LEU HA H 38 4.810 4.316 0.494 1
1 429 . 19 1 1 A 60 60 LEU C C 38 174.000 174.058 -0.058 1
1 430 . 19 1 1 A 60 60 LEU CA C 38 53.750 54.413 -0.663 1
1 431 . 19 1 1 A 60 60 LEU CB C 38 47.250 45.712 1.538 1
1 435 . 19 1 1 A 60 60 LEU N N 38 122.030 122.663 -0.633 1
1 436 . 19 1 1 A 61 61 PHE H H 39 9.460 8.301 1.159 1
1 437 . 19 1 1 A 61 61 PHE HA H 39 4.580 5.536 -0.956 1
1 444 . 19 1 1 A 61 61 PHE C C 39 174.390 172.648 1.742 1
1 445 . 19 1 1 A 61 61 PHE CA C 39 57.180 55.410 1.770 1
1 446 . 19 1 1 A 61 61 PHE CB C 39 41.570 41.835 -0.265 1
1 449 . 19 1 1 A 61 61 PHE N N 39 124.820 122.883 1.937 1
1 450 . 19 1 1 A 62 62 VAL H H 40 8.640 9.089 -0.449 1
1 451 . 19 1 1 A 62 62 VAL HA H 40 4.260 4.774 -0.514 1
1 459 . 19 1 1 A 62 62 VAL C C 40 175.380 175.335 0.045 1
1 460 . 19 1 1 A 62 62 VAL CA C 40 62.520 60.426 2.094 1
1 461 . 19 1 1 A 62 62 VAL CB C 40 32.470 33.843 -1.373 1
1 464 . 19 1 1 A 62 62 VAL N N 40 122.650 125.169 -2.519 1
1 465 . 19 1 1 A 63 63 LEU H H 41 8.710 8.827 -0.117 1
1 466 . 19 1 1 A 63 63 LEU HA H 41 4.590 4.669 -0.079 1
1 476 . 19 1 1 A 63 63 LEU CA C 41 53.560 53.762 -0.202 1
1 477 . 19 1 1 A 63 63 LEU CB C 41 41.600 42.597 -0.997 1
1 481 . 19 1 1 A 63 63 LEU N N 41 126.170 128.833 -2.663 1
1 482 . 19 1 1 A 64 64 ALA HA H 42 4.040 4.137 -0.097 1
1 486 . 19 1 1 A 64 64 ALA CA C 42 55.050 54.042 1.008 1
1 487 . 19 1 1 A 64 64 ALA CB C 42 18.580 18.697 -0.117 1
1 488 . 19 1 1 A 65 65 ASN H H 43 7.680 7.865 -0.185 1
1 489 . 19 1 1 A 65 65 ASN HA H 43 4.520 4.793 -0.273 1
1 494 . 19 1 1 A 65 65 ASN C C 43 175.860 175.464 0.396 1
1 495 . 19 1 1 A 65 65 ASN CA C 43 52.530 53.355 -0.825 1
1 496 . 19 1 1 A 65 65 ASN CB C 43 37.800 38.969 -1.169 1
1 497 . 19 1 1 A 65 65 ASN N N 43 112.130 115.311 -3.181 1
1 499 . 19 1 1 A 66 66 GLY H H 44 8.070 7.913 0.157 1
1 500 . 19 1 1 A 66 66 GLY HA2 H 44 4.330 3.972 0.358 1
1 501 . 19 1 1 A 66 66 GLY HA3 H 44 3.480 3.973 -0.493 1
1 502 . 19 1 1 A 66 66 GLY C C 44 174.260 174.345 -0.085 1
1 503 . 19 1 1 A 66 66 GLY CA C 44 44.930 45.065 -0.135 1
1 504 . 19 1 1 A 66 66 GLY N N 44 107.650 107.754 -0.104 1
1 505 . 19 1 1 A 67 67 MET H H 45 7.900 7.938 -0.038 1
1 506 . 19 1 1 A 67 67 MET HA H 45 4.420 4.596 -0.176 1
1 514 . 19 1 1 A 67 67 MET CA C 45 55.520 55.229 0.291 1
1 515 . 19 1 1 A 67 67 MET CB C 45 33.630 34.203 -0.573 1
1 518 . 19 1 1 A 67 67 MET N N 45 121.850 119.709 2.141 1
1 519 . 19 1 1 A 68 68 LYS HA H 46 5.040 5.294 -0.254 1
1 528 . 19 1 1 A 68 68 LYS C C 46 174.600 174.422 0.178 1
1 529 . 19 1 1 A 68 68 LYS CA C 46 55.410 55.031 0.379 1
1 530 . 19 1 1 A 68 68 LYS CB C 46 34.460 36.297 -1.837 1
1 534 . 19 1 1 A 69 69 LEU H H 47 8.830 8.694 0.136 1
1 535 . 19 1 1 A 69 69 LEU HA H 47 5.450 5.527 -0.077 1
1 545 . 19 1 1 A 69 69 LEU C C 47 174.880 174.968 -0.088 1
1 546 . 19 1 1 A 69 69 LEU CA C 47 52.980 53.889 -0.909 1
1 547 . 19 1 1 A 69 69 LEU CB C 47 46.560 45.936 0.624 1
1 551 . 19 1 1 A 69 69 LEU N N 47 124.960 126.840 -1.880 1
1 552 . 19 1 1 A 70 70 GLY H H 48 9.580 9.120 0.460 1
1 553 . 19 1 1 A 70 70 GLY HA2 H 48 5.220 3.986 1.234 1
1 554 . 19 1 1 A 70 70 GLY HA3 H 48 3.090 4.157 -1.067 1
1 555 . 19 1 1 A 70 70 GLY C C 48 170.590 171.590 -1.000 1
1 556 . 19 1 1 A 70 70 GLY CA C 48 43.370 43.847 -0.477 1
1 557 . 19 1 1 A 70 70 GLY N N 48 113.940 113.386 0.554 1
1 558 . 19 1 1 A 71 71 LEU H H 49 8.250 8.044 0.206 1
1 559 . 19 1 1 A 71 71 LEU HA H 49 5.150 4.965 0.185 1
1 569 . 19 1 1 A 71 71 LEU C C 49 173.920 174.435 -0.515 1
1 570 . 19 1 1 A 71 71 LEU CA C 49 52.770 53.621 -0.851 1
1 571 . 19 1 1 A 71 71 LEU CB C 49 43.100 44.096 -0.996 1
1 575 . 19 1 1 A 71 71 LEU N N 49 122.270 120.919 1.351 1
1 576 . 19 1 1 A 72 72 TRP H H 50 8.960 8.882 0.078 1
1 577 . 19 1 1 A 72 72 TRP HA H 50 5.860 5.620 0.240 1
1 584 . 19 1 1 A 72 72 TRP C C 50 175.740 175.593 0.147 1
1 585 . 19 1 1 A 72 72 TRP CA C 50 53.170 55.342 -2.172 1
1 586 . 19 1 1 A 72 72 TRP CB C 50 34.990 32.286 2.704 1
1 590 . 19 1 1 A 72 72 TRP N N 50 125.010 128.129 -3.119 1
1 592 . 19 1 1 A 73 73 SER H H 51 9.010 8.661 0.349 1
1 593 . 19 1 1 A 73 73 SER HA H 51 4.570 5.116 -0.546 1
1 596 . 19 1 1 A 73 73 SER C C 51 176.240 176.120 0.120 1
1 597 . 19 1 1 A 73 73 SER CA C 51 58.490 59.567 -1.077 1
1 598 . 19 1 1 A 73 73 SER CB C 51 63.770 63.594 0.176 1
1 599 . 19 1 1 A 73 73 SER N N 51 120.380 123.234 -2.854 1
1 600 . 19 1 1 A 74 74 ARG H H 52 9.420 8.895 0.525 1
1 601 . 19 1 1 A 74 74 ARG HA H 52 3.460 4.124 -0.664 1
1 608 . 19 1 1 A 74 74 ARG C C 52 175.610 177.185 -1.575 1
1 609 . 19 1 1 A 74 74 ARG CA C 52 57.590 58.331 -0.741 1
1 610 . 19 1 1 A 74 74 ARG CB C 52 28.900 29.800 -0.900 1
1 613 . 19 1 1 A 74 74 ARG N N 52 128.770 124.998 3.772 1
1 614 . 19 1 1 A 75 75 HIS H H 53 7.910 8.160 -0.250 1
1 615 . 19 1 1 A 75 75 HIS HA H 53 4.310 4.549 -0.239 1
1 619 . 19 1 1 A 75 75 HIS C C 53 176.610 175.763 0.847 1
1 620 . 19 1 1 A 75 75 HIS CA C 53 57.190 57.714 -0.524 1
1 621 . 19 1 1 A 75 75 HIS CB C 53 31.260 29.140 2.120 1
1 623 . 19 1 1 A 75 75 HIS N N 53 117.320 116.629 0.691 1
1 624 . 19 1 1 A 76 76 THR H H 54 7.360 7.517 -0.157 1
1 625 . 19 1 1 A 76 76 THR HA H 54 4.540 4.345 0.195 1
1 630 . 19 1 1 A 76 76 THR C C 54 175.120 174.281 0.839 1
1 631 . 19 1 1 A 76 76 THR CA C 54 61.840 61.342 0.498 1
1 632 . 19 1 1 A 76 76 THR CB C 54 69.680 69.185 0.495 1
1 634 . 19 1 1 A 76 76 THR N N 54 107.350 112.952 -5.602 1
1 635 . 19 1 1 A 77 77 VAL H H 55 6.630 7.453 -0.823 1
1 636 . 19 1 1 A 77 77 VAL HA H 55 2.700 3.491 -0.791 1
1 644 . 19 1 1 A 77 77 VAL C C 55 173.920 175.226 -1.306 1
1 645 . 19 1 1 A 77 77 VAL CA C 55 63.500 62.179 1.321 1
1 646 . 19 1 1 A 77 77 VAL CB C 55 31.270 32.134 -0.864 1
1 649 . 19 1 1 A 77 77 VAL N N 55 123.760 122.333 1.427 1
1 650 . 19 1 1 A 78 78 GLU H H 56 6.010 8.297 -2.287 1
1 651 . 19 1 1 A 78 78 GLU HA H 56 4.160 4.801 -0.641 1
1 656 . 19 1 1 A 78 78 GLU CA C 56 53.120 52.431 0.689 1
1 657 . 19 1 1 A 78 78 GLU CB C 56 32.240 31.424 0.816 1
1 659 . 19 1 1 A 78 78 GLU N N 56 124.820 126.964 -2.144 1
1 660 . 19 1 1 A 79 79 PRO HA H 57 4.620 4.495 0.125 1
1 667 . 19 1 1 A 79 79 PRO C C 57 176.190 176.510 -0.320 1
1 668 . 19 1 1 A 79 79 PRO CA C 57 61.890 62.369 -0.479 1
1 669 . 19 1 1 A 79 79 PRO CB C 57 33.620 32.110 1.510 1
1 672 . 19 1 1 A 80 80 LYS H H 58 8.340 8.299 0.041 1
1 673 . 19 1 1 A 80 80 LYS HA H 58 3.880 4.358 -0.478 1
1 682 . 19 1 1 A 80 80 LYS C C 58 177.100 175.202 1.898 1
1 683 . 19 1 1 A 80 80 LYS CA C 58 57.610 56.815 0.795 1
1 684 . 19 1 1 A 80 80 LYS CB C 58 32.400 32.678 -0.278 1
1 688 . 19 1 1 A 80 80 LYS N N 58 121.510 122.573 -1.063 1
1 689 . 19 1 1 A 81 81 ALA H H 59 8.430 8.487 -0.057 1
1 690 . 19 1 1 A 81 81 ALA HA H 59 4.870 4.945 -0.075 1
1 694 . 19 1 1 A 81 81 ALA C C 59 177.460 176.204 1.256 1
1 695 . 19 1 1 A 81 81 ALA CA C 59 51.020 50.379 0.641 1
1 696 . 19 1 1 A 81 81 ALA CB C 59 22.910 20.212 2.698 1
1 697 . 19 1 1 A 81 81 ALA N N 59 129.030 130.300 -1.270 1
1 698 . 19 1 1 A 82 82 SER H H 60 9.680 8.747 0.933 1
1 699 . 19 1 1 A 82 82 SER HA H 60 4.510 4.826 -0.316 1
1 702 . 19 1 1 A 82 82 SER C C 60 172.960 173.526 -0.566 1
1 703 . 19 1 1 A 82 82 SER CA C 60 58.350 57.646 0.704 1
1 704 . 19 1 1 A 82 82 SER CB C 60 65.150 62.562 2.588 1
1 705 . 19 1 1 A 82 82 SER N N 60 115.930 119.240 -3.310 1
1 706 . 19 1 1 A 83 83 VAL H H 61 7.450 7.990 -0.540 1
1 707 . 19 1 1 A 83 83 VAL HA H 61 4.260 4.817 -0.557 1
1 715 . 19 1 1 A 83 83 VAL CA C 61 60.940 60.343 0.597 1
1 716 . 19 1 1 A 83 83 VAL CB C 61 35.360 35.541 -0.181 1
1 719 . 19 1 1 A 83 83 VAL N N 61 121.550 125.619 -4.069 1
1 720 . 19 1 1 A 84 84 THR H H 62 7.850 8.978 -1.128 1
1 721 . 19 1 1 A 84 84 THR HA H 62 4.750 5.260 -0.510 1
1 726 . 19 1 1 A 84 84 THR C C 62 174.040 173.284 0.756 1
1 727 . 19 1 1 A 84 84 THR CA C 62 59.370 60.292 -0.922 1
1 728 . 19 1 1 A 84 84 THR CB C 62 68.800 71.321 -2.521 1
1 730 . 19 1 1 A 84 84 THR N N 62 111.040 116.808 -5.768 1
1 731 . 19 1 1 A 85 85 GLY H H 63 7.950 7.935 0.015 1
1 732 . 19 1 1 A 85 85 GLY HA2 H 63 3.480 3.973 -0.493 1
1 733 . 19 1 1 A 85 85 GLY HA3 H 63 2.950 4.011 -1.061 1
1 734 . 19 1 1 A 85 85 GLY C C 63 174.140 173.856 0.284 1
1 735 . 19 1 1 A 85 85 GLY CA C 63 45.490 45.412 0.078 1
1 736 . 19 1 1 A 85 85 GLY N N 63 109.700 108.628 1.072 1
1 737 . 19 1 1 A 86 86 GLY H H 64 8.530 7.210 1.320 1
1 738 . 19 1 1 A 86 86 GLY HA2 H 64 4.550 4.148 0.402 1
1 739 . 19 1 1 A 86 86 GLY HA3 H 64 3.700 4.150 -0.450 1
1 740 . 19 1 1 A 86 86 GLY C C 64 174.700 174.707 -0.007 1
1 741 . 19 1 1 A 86 86 GLY CA C 64 45.600 46.136 -0.536 1
1 742 . 19 1 1 A 86 86 GLY N N 64 107.420 105.663 1.757 1
1 743 . 19 1 1 A 87 87 GLY H H 65 9.280 8.150 1.130 1
1 744 . 19 1 1 A 87 87 GLY HA2 H 65 4.860 4.074 0.786 1
1 745 . 19 1 1 A 87 87 GLY HA3 H 65 4.160 4.204 -0.044 1
1 746 . 19 1 1 A 87 87 GLY C C 65 172.640 174.274 -1.634 1
1 747 . 19 1 1 A 87 87 GLY CA C 65 45.630 46.082 -0.452 1
1 748 . 19 1 1 A 87 87 GLY N N 65 111.380 106.907 4.473 1
1 749 . 19 1 1 A 88 88 GLY H H 66 6.610 8.507 -1.897 1
1 750 . 19 1 1 A 88 88 GLY HA2 H 66 4.020 4.084 -0.064 1
1 751 . 19 1 1 A 88 88 GLY HA3 H 66 2.360 4.087 -1.727 1
1 752 . 19 1 1 A 88 88 GLY C C 66 172.250 172.917 -0.667 1
1 753 . 19 1 1 A 88 88 GLY CA C 66 43.910 44.877 -0.967 1
1 754 . 19 1 1 A 88 88 GLY N N 66 105.700 111.105 -5.405 1
1 755 . 19 1 1 A 89 89 GLU H H 67 9.230 8.507 0.723 1
1 756 . 19 1 1 A 89 89 GLU HA H 67 5.100 5.269 -0.169 1
1 761 . 19 1 1 A 89 89 GLU C C 67 175.770 174.857 0.913 1
1 762 . 19 1 1 A 89 89 GLU CA C 67 54.540 55.354 -0.814 1
1 763 . 19 1 1 A 89 89 GLU CB C 67 34.710 32.391 2.319 1
1 765 . 19 1 1 A 89 89 GLU N N 67 117.210 120.164 -2.954 1
1 766 . 19 1 1 A 90 90 LEU H H 68 8.470 9.008 -0.538 1
1 767 . 19 1 1 A 90 90 LEU HA H 68 5.050 5.076 -0.026 1
1 777 . 19 1 1 A 90 90 LEU C C 68 175.460 174.931 0.529 1
1 778 . 19 1 1 A 90 90 LEU CA C 68 54.160 53.801 0.359 1
1 779 . 19 1 1 A 90 90 LEU CB C 68 44.250 44.205 0.045 1
1 783 . 19 1 1 A 90 90 LEU N N 68 120.420 125.374 -4.954 1
1 784 . 19 1 1 A 91 91 ALA H H 69 8.880 8.865 0.015 1
1 785 . 19 1 1 A 91 91 ALA HA H 69 5.990 5.056 0.934 1
1 789 . 19 1 1 A 91 91 ALA C C 69 175.300 176.926 -1.626 1
1 790 . 19 1 1 A 91 91 ALA CA C 69 50.340 50.514 -0.174 1
1 791 . 19 1 1 A 91 91 ALA CB C 69 21.140 20.215 0.925 1
1 792 . 19 1 1 A 91 91 ALA N N 69 124.720 130.565 -5.845 1
1 793 . 19 1 1 A 92 92 PHE H H 70 10.090 9.746 0.344 1
1 794 . 19 1 1 A 92 92 PHE HA H 70 4.700 5.073 -0.373 1
1 802 . 19 1 1 A 92 92 PHE CA C 70 56.580 57.643 -1.063 1
1 803 . 19 1 1 A 92 92 PHE CB C 70 40.490 40.337 0.153 1
1 807 . 19 1 1 A 92 92 PHE N N 70 122.920 124.015 -1.095 1
1 808 . 19 1 1 A 93 93 ARG H H 71 9.030 8.929 0.101 1
1 809 . 19 1 1 A 93 93 ARG HA H 71 4.460 4.581 -0.121 1
1 816 . 19 1 1 A 93 93 ARG C C 71 176.910 175.735 1.175 1
1 817 . 19 1 1 A 93 93 ARG CA C 71 55.080 55.408 -0.328 1
1 818 . 19 1 1 A 93 93 ARG CB C 71 31.950 32.008 -0.058 1
1 821 . 19 1 1 A 93 93 ARG N N 71 125.390 123.815 1.575 1
1 822 . 19 1 1 A 94 94 VAL H H 72 8.470 8.151 0.319 1
1 823 . 19 1 1 A 94 94 VAL HA H 72 4.820 4.658 0.162 1
1 831 . 19 1 1 A 94 94 VAL C C 72 176.320 175.918 0.402 1
1 832 . 19 1 1 A 94 94 VAL CA C 72 59.190 58.876 0.314 1
1 833 . 19 1 1 A 94 94 VAL CB C 72 32.550 34.593 -2.043 1
1 836 . 19 1 1 A 94 94 VAL N N 72 119.430 119.574 -0.144 1
1 837 . 19 1 1 A 95 95 GLU H H 73 8.160 8.910 -0.750 1
1 838 . 19 1 1 A 95 95 GLU HA H 73 3.940 4.175 -0.235 1
1 843 . 19 1 1 A 95 95 GLU C C 73 176.560 176.543 0.017 1
1 844 . 19 1 1 A 95 95 GLU CA C 73 59.620 58.644 0.976 1
1 845 . 19 1 1 A 95 95 GLU CB C 73 31.400 29.645 1.755 1
1 847 . 19 1 1 A 95 95 GLU N N 73 116.510 120.462 -3.952 1
1 848 . 19 1 1 A 96 96 ASN H H 74 7.240 7.803 -0.563 1
1 849 . 19 1 1 A 96 96 ASN HA H 74 4.780 5.028 -0.248 1
1 854 . 19 1 1 A 96 96 ASN C C 74 174.960 174.656 0.304 1
1 855 . 19 1 1 A 96 96 ASN CA C 74 51.570 52.661 -1.091 1
1 856 . 19 1 1 A 96 96 ASN CB C 74 40.130 39.317 0.813 1
1 857 . 19 1 1 A 96 96 ASN N N 74 108.930 114.094 -5.164 1
1 859 . 19 1 1 A 97 97 ASP H H 75 8.330 9.068 -0.738 1
1 860 . 19 1 1 A 97 97 ASP HA H 75 4.190 4.440 -0.250 1
1 863 . 19 1 1 A 97 97 ASP C C 75 177.800 178.488 -0.688 1
1 864 . 19 1 1 A 97 97 ASP CA C 75 57.780 56.650 1.130 1
1 865 . 19 1 1 A 97 97 ASP CB C 75 39.230 39.652 -0.422 1
1 866 . 19 1 1 A 97 97 ASP N N 75 120.390 118.254 2.136 1
1 867 . 19 1 1 A 98 98 ALA H H 76 8.090 7.974 0.116 1
1 868 . 19 1 1 A 98 98 ALA HA H 76 4.210 3.912 0.298 1
1 872 . 19 1 1 A 98 98 ALA C C 76 181.130 179.968 1.162 1
1 873 . 19 1 1 A 98 98 ALA CA C 76 55.160 55.365 -0.205 1
1 874 . 19 1 1 A 98 98 ALA CB C 76 17.440 18.085 -0.645 1
1 875 . 19 1 1 A 98 98 ALA N N 76 122.660 121.706 0.954 1
1 876 . 19 1 1 A 99 99 GLN H H 77 8.110 7.805 0.305 1
1 877 . 19 1 1 A 99 99 GLN HA H 77 4.170 4.064 0.106 1
1 884 . 19 1 1 A 99 99 GLN C C 77 180.190 178.627 1.563 1
1 885 . 19 1 1 A 99 99 GLN CA C 77 58.680 58.526 0.154 1
1 886 . 19 1 1 A 99 99 GLN CB C 77 28.590 28.547 0.043 1
1 888 . 19 1 1 A 99 99 GLN N N 77 116.870 117.797 -0.927 1
1 890 . 19 1 1 A 100 100 VAL H H 78 7.860 8.100 -0.240 1
1 891 . 19 1 1 A 100 100 VAL HA H 78 3.400 3.566 -0.166 1
1 899 . 19 1 1 A 100 100 VAL C C 78 177.510 177.961 -0.451 1
1 900 . 19 1 1 A 100 100 VAL CA C 78 67.800 66.292 1.508 1
1 901 . 19 1 1 A 100 100 VAL CB C 78 30.810 31.987 -1.177 1
1 904 . 19 1 1 A 100 100 VAL N N 78 125.200 120.979 4.221 1
1 905 . 19 1 1 A 101 101 ASP H H 79 7.810 7.804 0.006 1
1 906 . 19 1 1 A 101 101 ASP HA H 79 4.420 4.239 0.181 1
1 909 . 19 1 1 A 101 101 ASP C C 79 175.010 178.623 -3.613 1
1 910 . 19 1 1 A 101 101 ASP CA C 79 58.490 57.130 1.360 1
1 911 . 19 1 1 A 101 101 ASP CB C 79 40.400 40.898 -0.498 1
1 912 . 19 1 1 A 101 101 ASP N N 79 119.560 120.256 -0.696 1
1 913 . 19 1 1 A 102 102 GLU H H 80 8.620 7.825 0.795 1
1 914 . 19 1 1 A 102 102 GLU HA H 80 4.080 4.039 0.041 1
1 919 . 19 1 1 A 102 102 GLU C C 80 179.540 179.596 -0.056 1
1 920 . 19 1 1 A 102 102 GLU CA C 80 59.470 59.441 0.029 1
1 921 . 19 1 1 A 102 102 GLU CB C 80 30.210 29.538 0.672 1
1 923 . 19 1 1 A 102 102 GLU N N 80 121.400 118.959 2.441 1
1 924 . 19 1 1 A 103 103 THR H H 81 8.120 7.655 0.465 1
1 925 . 19 1 1 A 103 103 THR HA H 81 3.660 3.748 -0.088 1
1 930 . 19 1 1 A 103 103 THR C C 81 174.440 176.012 -1.572 1
1 931 . 19 1 1 A 103 103 THR CA C 81 66.990 65.936 1.054 1
1 932 . 19 1 1 A 103 103 THR CB C 81 68.070 68.083 -0.013 1
1 934 . 19 1 1 A 103 103 THR N N 81 118.770 118.013 0.757 1
1 935 . 19 1 1 A 104 104 PHE H H 82 8.340 7.912 0.428 1
1 936 . 19 1 1 A 104 104 PHE HA H 82 3.030 3.757 -0.727 1
1 943 . 19 1 1 A 104 104 PHE C C 82 176.050 176.491 -0.441 1
1 944 . 19 1 1 A 104 104 PHE CA C 82 61.480 62.058 -0.578 1
1 945 . 19 1 1 A 104 104 PHE CB C 82 38.550 38.769 -0.219 1
1 948 . 19 1 1 A 104 104 PHE N N 82 122.350 121.497 0.853 1
1 949 . 19 1 1 A 105 105 ALA H H 83 7.780 8.149 -0.369 1
1 950 . 19 1 1 A 105 105 ALA HA H 83 3.680 4.041 -0.361 1
1 954 . 19 1 1 A 105 105 ALA C C 83 181.410 179.903 1.507 1
1 955 . 19 1 1 A 105 105 ALA CA C 83 54.880 55.044 -0.164 1
1 956 . 19 1 1 A 105 105 ALA CB C 83 18.080 18.307 -0.227 1
1 957 . 19 1 1 A 105 105 ALA N N 83 118.740 121.109 -2.369 1
1 958 . 19 1 1 A 106 106 GLY H H 84 8.120 8.050 0.070 1
1 959 . 19 1 1 A 106 106 GLY HA2 H 84 3.910 3.531 0.379 1
1 960 . 19 1 1 A 106 106 GLY HA3 H 84 3.810 3.550 0.260 1
1 961 . 19 1 1 A 106 106 GLY C C 84 176.780 177.248 -0.468 1
1 962 . 19 1 1 A 106 106 GLY CA C 84 46.910 46.978 -0.068 1
1 963 . 19 1 1 A 106 106 GLY N N 84 107.090 105.381 1.709 1
1 964 . 19 1 1 A 107 107 TRP H H 85 9.240 7.711 1.529 1
1 965 . 19 1 1 A 107 107 TRP HA H 85 4.440 4.521 -0.081 1
1 972 . 19 1 1 A 107 107 TRP C C 85 179.210 178.299 0.911 1
1 973 . 19 1 1 A 107 107 TRP CA C 85 59.190 60.531 -1.341 1
1 974 . 19 1 1 A 107 107 TRP CB C 85 28.450 28.759 -0.309 1
1 978 . 19 1 1 A 107 107 TRP N N 85 124.820 121.861 2.959 1
1 980 . 19 1 1 A 108 108 LYS H H 86 8.610 8.154 0.456 1
1 981 . 19 1 1 A 108 108 LYS HA H 86 3.920 3.897 0.023 1
1 990 . 19 1 1 A 108 108 LYS C C 86 180.980 178.535 2.445 1
1 991 . 19 1 1 A 108 108 LYS CA C 86 60.040 59.399 0.641 1
1 992 . 19 1 1 A 108 108 LYS CB C 86 31.850 32.330 -0.480 1
1 996 . 19 1 1 A 108 108 LYS N N 86 121.490 120.757 0.733 1
1 997 . 19 1 1 A 109 109 ALA H H 87 7.890 7.971 -0.081 1
1 998 . 19 1 1 A 109 109 ALA HA H 87 4.150 4.196 -0.046 1
1 1002 . 19 1 1 A 109 109 ALA C C 87 179.050 178.737 0.313 1
1 1003 . 19 1 1 A 109 109 ALA CA C 87 54.670 54.633 0.037 1
1 1004 . 19 1 1 A 109 109 ALA CB C 87 18.010 18.259 -0.249 1
1 1005 . 19 1 1 A 109 109 ALA N N 87 121.920 121.829 0.091 1
1 1006 . 19 1 1 A 110 110 SER H H 88 7.510 7.580 -0.070 1
1 1007 . 19 1 1 A 110 110 SER HA H 88 4.450 4.612 -0.162 1
1 1010 . 19 1 1 A 110 110 SER C C 88 174.140 174.362 -0.222 1
1 1011 . 19 1 1 A 110 110 SER CA C 88 58.750 58.573 0.177 1
1 1012 . 19 1 1 A 110 110 SER CB C 88 63.950 63.529 0.421 1
1 1013 . 19 1 1 A 110 110 SER N N 88 112.390 111.347 1.043 1
1 1014 . 19 1 1 A 111 111 GLY H H 89 7.790 7.717 0.073 1
1 1015 . 19 1 1 A 111 111 GLY HA2 H 89 4.180 3.996 0.184 1
1 1016 . 19 1 1 A 111 111 GLY HA3 H 89 3.700 4.034 -0.334 1
1 1017 . 19 1 1 A 111 111 GLY C C 89 174.520 174.479 0.041 1
1 1018 . 19 1 1 A 111 111 GLY CA C 89 45.530 46.966 -1.436 1
1 1019 . 19 1 1 A 111 111 GLY N N 89 108.220 110.632 -2.412 1
1 1020 . 19 1 1 A 112 112 VAL H H 90 7.660 7.498 0.162 1
1 1021 . 19 1 1 A 112 112 VAL HA H 90 3.830 4.282 -0.452 1
1 1029 . 19 1 1 A 112 112 VAL C C 90 175.430 177.022 -1.592 1
1 1030 . 19 1 1 A 112 112 VAL CA C 90 63.880 60.242 3.638 1
1 1031 . 19 1 1 A 112 112 VAL CB C 90 32.040 33.579 -1.539 1
1 1034 . 19 1 1 A 112 112 VAL N N 90 122.880 119.606 3.274 1
1 1035 . 19 1 1 A 113 113 ALA H H 91 8.720 8.508 0.212 1
1 1036 . 19 1 1 A 113 113 ALA HA H 91 4.210 4.011 0.199 1
1 1040 . 19 1 1 A 113 113 ALA C C 91 176.290 177.694 -1.404 1
1 1041 . 19 1 1 A 113 113 ALA CA C 91 52.900 54.846 -1.946 1
1 1042 . 19 1 1 A 113 113 ALA CB C 91 19.290 18.892 0.398 1
1 1043 . 19 1 1 A 113 113 ALA N N 91 132.080 129.553 2.527 1
1 1044 . 19 1 1 A 114 114 MET H H 92 8.260 8.089 0.171 1
1 1045 . 19 1 1 A 114 114 MET HA H 92 5.330 4.244 1.086 1
1 1051 . 19 1 1 A 114 114 MET C C 92 176.780 176.125 0.655 1
1 1052 . 19 1 1 A 114 114 MET CA C 92 53.390 56.263 -2.873 1
1 1053 . 19 1 1 A 114 114 MET CB C 92 33.450 31.105 2.345 1
1 1055 . 19 1 1 A 114 114 MET N N 92 116.930 116.660 0.270 1
1 1056 . 19 1 1 A 115 115 LEU H H 93 8.990 8.128 0.862 1
1 1057 . 19 1 1 A 115 115 LEU HA H 93 4.550 5.039 -0.489 1
1 1067 . 19 1 1 A 115 115 LEU C C 93 176.630 175.535 1.095 1
1 1068 . 19 1 1 A 115 115 LEU CA C 93 55.140 53.536 1.604 1
1 1069 . 19 1 1 A 115 115 LEU CB C 93 44.810 42.693 2.117 1
1 1073 . 19 1 1 A 115 115 LEU N N 93 122.250 116.816 5.434 1
1 1074 . 19 1 1 A 116 116 GLN H H 94 8.280 8.348 -0.068 1
1 1075 . 19 1 1 A 116 116 GLN HA H 94 4.700 4.747 -0.047 1
1 1080 . 19 1 1 A 116 116 GLN C C 94 174.860 174.004 0.856 1
1 1081 . 19 1 1 A 116 116 GLN CA C 94 55.600 55.850 -0.250 1
1 1082 . 19 1 1 A 116 116 GLN CB C 94 33.510 33.289 0.221 1
1 1083 . 19 1 1 A 116 116 GLN N N 94 121.140 123.153 -2.013 1
1 1085 . 19 1 1 A 117 117 GLN H H 95 8.490 8.647 -0.157 1
1 1086 . 19 1 1 A 117 117 GLN HA H 95 4.080 4.901 -0.821 1
1 1093 . 19 1 1 A 117 117 GLN CA C 95 54.860 52.910 1.950 1
1 1094 . 19 1 1 A 117 117 GLN CB C 95 26.550 29.169 -2.619 1
1 1096 . 19 1 1 A 117 117 GLN N N 95 125.610 124.500 1.110 1
1 1098 . 19 1 1 A 118 118 PRO HA H 96 4.410 4.859 -0.449 1
1 1103 . 19 1 1 A 118 118 PRO C C 96 176.290 175.446 0.844 1
1 1104 . 19 1 1 A 118 118 PRO CA C 96 64.130 62.715 1.415 1
1 1105 . 19 1 1 A 118 118 PRO CB C 96 30.550 31.077 -0.527 1
1 1107 . 19 1 1 A 119 119 ALA H H 97 8.980 8.192 0.788 1
1 1108 . 19 1 1 A 119 119 ALA HA H 97 4.550 4.881 -0.331 1
1 1112 . 19 1 1 A 119 119 ALA C C 97 175.820 175.247 0.573 1
1 1113 . 19 1 1 A 119 119 ALA CA C 97 51.100 50.307 0.793 1
1 1114 . 19 1 1 A 119 119 ALA CB C 97 22.150 23.369 -1.219 1
1 1115 . 19 1 1 A 119 119 ALA N N 97 126.580 125.937 0.643 1
1 1116 . 19 1 1 A 120 120 LYS H H 98 8.710 8.407 0.303 1
1 1117 . 19 1 1 A 120 120 LYS HA H 98 4.450 4.598 -0.148 1
1 1126 . 19 1 1 A 120 120 LYS C C 98 175.950 175.435 0.515 1
1 1127 . 19 1 1 A 120 120 LYS CA C 98 56.360 56.460 -0.100 1
1 1128 . 19 1 1 A 120 120 LYS CB C 98 32.090 33.048 -0.958 1
1 1132 . 19 1 1 A 120 120 LYS N N 98 121.330 120.901 0.429 1
1 1133 . 19 1 1 A 121 121 MET H H 99 8.130 8.583 -0.453 1
1 1138 . 19 1 1 A 121 121 MET N N 99 125.590 126.531 -0.941 1
1 1139 . 19 1 1 A 122 122 GLU HA H 100 3.890 3.765 0.125 1
1 1144 . 19 1 1 A 122 122 GLU C C 100 176.450 177.632 -1.182 1
1 1145 . 19 1 1 A 122 122 GLU CA C 100 59.740 59.117 0.623 1
1 1146 . 19 1 1 A 122 122 GLU CB C 100 29.200 28.883 0.317 1
1 1148 . 19 1 1 A 123 123 PHE H H 101 6.120 7.380 -1.260 1
1 1149 . 19 1 1 A 123 123 PHE HA H 101 4.430 4.582 -0.152 1
1 1152 . 19 1 1 A 123 123 PHE C C 101 173.950 175.410 -1.460 1
1 1153 . 19 1 1 A 123 123 PHE CA C 101 54.750 58.010 -3.260 1
1 1154 . 19 1 1 A 123 123 PHE CB C 101 38.630 39.477 -0.847 1
1 1155 . 19 1 1 A 123 123 PHE N N 101 108.900 115.197 -6.297 1
1 1156 . 19 1 1 A 124 124 GLY H H 102 6.670 7.204 -0.534 1
1 1157 . 19 1 1 A 124 124 GLY HA2 H 102 4.780 4.112 0.668 1
1 1158 . 19 1 1 A 124 124 GLY HA3 H 102 3.770 4.209 -0.439 1
1 1159 . 19 1 1 A 124 124 GLY C C 102 170.410 172.045 -1.635 1
1 1160 . 19 1 1 A 124 124 GLY CA C 102 44.570 44.013 0.557 1
1 1161 . 19 1 1 A 124 124 GLY N N 102 108.900 106.907 1.993 1
1 1162 . 19 1 1 A 125 125 TYR H H 103 8.210 8.402 -0.192 1
1 1163 . 19 1 1 A 125 125 TYR HA H 103 5.080 4.983 0.097 1
1 1170 . 19 1 1 A 125 125 TYR C C 103 175.980 174.789 1.191 1
1 1171 . 19 1 1 A 125 125 TYR CA C 103 56.530 57.152 -0.622 1
1 1172 . 19 1 1 A 125 125 TYR CB C 103 40.180 38.824 1.356 1
1 1175 . 19 1 1 A 125 125 TYR N N 103 123.360 121.500 1.860 1
1 1176 . 19 1 1 A 126 126 THR H H 104 8.450 8.466 -0.016 1
1 1177 . 19 1 1 A 126 126 THR HA H 104 5.630 5.513 0.117 1
1 1182 . 19 1 1 A 126 126 THR C C 104 170.010 172.436 -2.426 1
1 1183 . 19 1 1 A 126 126 THR CA C 104 58.490 59.741 -1.251 1
1 1184 . 19 1 1 A 126 126 THR CB C 104 72.110 71.988 0.122 1
1 1186 . 19 1 1 A 126 126 THR N N 104 120.720 122.026 -1.306 1
1 1187 . 19 1 1 A 127 127 PHE H H 105 8.170 8.986 -0.816 1
1 1188 . 19 1 1 A 127 127 PHE HA H 105 4.620 5.999 -1.379 1
1 1195 . 19 1 1 A 127 127 PHE C C 105 172.490 172.624 -0.134 1
1 1196 . 19 1 1 A 127 127 PHE CA C 105 56.610 56.244 0.366 1
1 1197 . 19 1 1 A 127 127 PHE CB C 105 41.710 42.670 -0.960 1
1 1200 . 19 1 1 A 127 127 PHE N N 105 120.530 120.710 -0.180 1
1 1201 . 19 1 1 A 128 128 THR H H 106 8.450 8.330 0.120 1
1 1202 . 19 1 1 A 128 128 THR HA H 106 5.090 5.064 0.026 1
1 1207 . 19 1 1 A 128 128 THR C C 106 172.750 173.412 -0.662 1
1 1208 . 19 1 1 A 128 128 THR CA C 106 63.340 60.727 2.613 1
1 1209 . 19 1 1 A 128 128 THR CB C 106 70.420 71.635 -1.215 1
1 1211 . 19 1 1 A 128 128 THR N N 106 114.010 115.848 -1.838 1
1 1212 . 19 1 1 A 129 129 ALA H H 107 10.030 8.943 1.087 1
1 1213 . 19 1 1 A 129 129 ALA HA H 107 5.540 5.292 0.248 1
1 1217 . 19 1 1 A 129 129 ALA C C 107 179.620 175.614 4.006 1
1 1218 . 19 1 1 A 129 129 ALA CA C 107 50.640 49.973 0.667 1
1 1219 . 19 1 1 A 129 129 ALA CB C 107 24.570 22.625 1.945 1
1 1220 . 19 1 1 A 129 129 ALA N N 107 135.110 128.825 6.285 1
1 1221 . 19 1 1 A 130 130 ALA H H 108 8.650 8.729 -0.079 1
1 1222 . 19 1 1 A 130 130 ALA HA H 108 5.380 5.313 0.067 1
1 1226 . 19 1 1 A 130 130 ALA C C 108 175.480 176.513 -1.033 1
1 1227 . 19 1 1 A 130 130 ALA CA C 108 50.100 50.069 0.031 1
1 1228 . 19 1 1 A 130 130 ALA CB C 108 22.770 20.804 1.966 1
1 1229 . 19 1 1 A 130 130 ALA N N 108 121.150 122.403 -1.253 1
1 1230 . 19 1 1 A 131 131 ASP H H 109 8.770 8.651 0.119 1
1 1231 . 19 1 1 A 131 131 ASP HA H 109 3.910 4.547 -0.637 1
1 1234 . 19 1 1 A 131 131 ASP CA C 109 51.290 52.372 -1.082 1
1 1235 . 19 1 1 A 131 131 ASP CB C 109 41.350 40.718 0.632 1
1 1236 . 19 1 1 A 131 131 ASP N N 109 123.100 124.540 -1.440 1
1 1237 . 19 1 1 A 132 132 PRO HA H 110 4.140 4.100 0.040 1
1 1242 . 19 1 1 A 132 132 PRO C C 110 176.890 177.708 -0.818 1
1 1243 . 19 1 1 A 132 132 PRO CA C 110 65.730 65.511 0.219 1
1 1244 . 19 1 1 A 132 132 PRO CB C 110 31.850 31.570 0.280 1
1 1246 . 19 1 1 A 133 133 ASP H H 111 8.740 7.173 1.567 1
1 1247 . 19 1 1 A 133 133 ASP HA H 111 4.800 4.533 0.267 1
1 1250 . 19 1 1 A 133 133 ASP C C 111 173.720 175.243 -1.523 1
1 1251 . 19 1 1 A 133 133 ASP CA C 111 54.140 53.831 0.309 1
1 1252 . 19 1 1 A 133 133 ASP CB C 111 42.910 40.991 1.919 1
1 1253 . 19 1 1 A 133 133 ASP N N 111 118.220 115.592 2.628 1
1 1254 . 19 1 1 A 134 134 SER H H 112 8.370 7.571 0.799 1
1 1255 . 19 1 1 A 134 134 SER HA H 112 3.710 4.012 -0.302 1
1 1258 . 19 1 1 A 134 134 SER CA C 112 60.670 58.901 1.769 1
1 1259 . 19 1 1 A 134 134 SER CB C 112 61.430 61.292 0.138 1
1 1260 . 19 1 1 A 134 134 SER N N 112 109.220 112.597 -3.377 1
1 1261 . 19 1 1 A 135 135 HIS H H 113 8.850 7.413 1.437 1
1 1268 . 19 1 1 A 135 135 HIS N N 113 122.820 118.710 4.110 1
1 1269 . 19 1 1 A 136 136 ARG HA H 114 4.680 4.647 0.033 1
1 1270 . 19 1 1 A 136 136 ARG C C 114 175.220 175.106 0.114 1
1 1271 . 19 1 1 A 136 136 ARG CA C 114 57.560 55.117 2.443 1
1 1272 . 19 1 1 A 137 137 LEU H H 115 8.680 8.865 -0.185 1
1 1273 . 19 1 1 A 137 137 LEU HA H 115 5.490 5.082 0.408 1
1 1282 . 19 1 1 A 137 137 LEU C C 115 174.620 176.089 -1.469 1
1 1283 . 19 1 1 A 137 137 LEU CA C 115 52.580 54.078 -1.498 1
1 1284 . 19 1 1 A 137 137 LEU CB C 115 43.070 41.862 1.208 1
1 1287 . 19 1 1 A 137 137 LEU N N 115 123.990 126.864 -2.874 1
1 1288 . 19 1 1 A 138 138 ARG H H 116 9.510 9.018 0.492 1
1 1289 . 19 1 1 A 138 138 ARG HA H 116 5.120 5.063 0.057 1
1 1292 . 19 1 1 A 138 138 ARG C C 116 175.090 175.367 -0.277 1
1 1293 . 19 1 1 A 138 138 ARG CA C 116 54.700 55.771 -1.071 1
1 1294 . 19 1 1 A 138 138 ARG CB C 116 33.480 31.997 1.483 1
1 1295 . 19 1 1 A 138 138 ARG N N 116 125.370 124.486 0.884 1
1 1296 . 19 1 1 A 139 139 VAL H H 117 7.970 8.651 -0.681 1
1 1297 . 19 1 1 A 139 139 VAL HA H 117 5.280 5.340 -0.060 1
1 1305 . 19 1 1 A 139 139 VAL C C 117 176.390 173.759 2.631 1
1 1306 . 19 1 1 A 139 139 VAL CA C 117 60.090 60.200 -0.110 1
1 1307 . 19 1 1 A 139 139 VAL CB C 117 32.690 35.080 -2.390 1
1 1310 . 19 1 1 A 139 139 VAL N N 117 128.260 120.378 7.882 1
1 1311 . 19 1 1 A 140 140 TYR H H 118 9.200 8.945 0.255 1
1 1312 . 19 1 1 A 140 140 TYR HA H 118 5.800 5.878 -0.078 1
1 1319 . 19 1 1 A 140 140 TYR C C 118 170.820 172.949 -2.129 1
1 1320 . 19 1 1 A 140 140 TYR CA C 118 56.060 55.434 0.626 1
1 1321 . 19 1 1 A 140 140 TYR CB C 118 42.460 42.015 0.445 1
1 1324 . 19 1 1 A 140 140 TYR N N 118 127.020 123.177 3.843 1
1 1325 . 19 1 1 A 141 141 ALA H H 119 8.330 9.100 -0.770 1
1 1326 . 19 1 1 A 141 141 ALA HA H 119 4.560 5.118 -0.558 1
1 1330 . 19 1 1 A 141 141 ALA C C 119 177.150 176.121 1.029 1
1 1331 . 19 1 1 A 141 141 ALA CA C 119 50.530 50.629 -0.099 1
1 1332 . 19 1 1 A 141 141 ALA CB C 119 21.220 21.162 0.058 1
1 1333 . 19 1 1 A 141 141 ALA N N 119 121.160 122.721 -1.561 1
1 1334 . 19 1 1 A 142 142 PHE H H 120 8.780 9.137 -0.357 1
1 1335 . 19 1 1 A 142 142 PHE HA H 120 4.910 5.263 -0.353 1
1 1340 . 19 1 1 A 142 142 PHE C C 120 175.090 174.429 0.661 1
1 1341 . 19 1 1 A 142 142 PHE CA C 120 57.720 58.413 -0.693 1
1 1342 . 19 1 1 A 142 142 PHE CB C 120 40.810 39.771 1.039 1
1 1344 . 19 1 1 A 142 142 PHE N N 120 122.630 126.671 -4.041 1
1 1345 . 19 1 1 A 143 143 ALA H H 121 8.190 8.201 -0.011 1
1 1346 . 19 1 1 A 143 143 ALA HA H 121 4.330 4.419 -0.089 1
1 1350 . 19 1 1 A 143 143 ALA C C 121 176.260 177.042 -0.782 1
1 1351 . 19 1 1 A 143 143 ALA CA C 121 52.280 52.080 0.200 1
1 1352 . 19 1 1 A 143 143 ALA CB C 121 19.310 18.590 0.720 1
1 1353 . 19 1 1 A 143 143 ALA N N 121 129.460 129.379 0.081 1
1 16 . 20 1 1 A 24 24 THR H H 2 8.350 7.764 0.586 1
1 17 . 20 1 1 A 24 24 THR HA H 2 4.470 4.150 0.320 1
1 22 . 20 1 1 A 24 24 THR CA C 2 61.890 63.369 -1.479 1
1 23 . 20 1 1 A 24 24 THR CB C 2 69.630 69.710 -0.080 1
1 25 . 20 1 1 A 24 24 THR N N 2 117.720 115.253 2.467 1
1 26 . 20 1 1 A 25 25 HIS H H 3 8.630 8.669 -0.039 1
1 27 . 20 1 1 A 25 25 HIS HA H 3 5.200 4.927 0.273 1
1 30 . 20 1 1 A 25 25 HIS CA C 3 51.620 53.810 -2.190 1
1 31 . 20 1 1 A 25 25 HIS CB C 3 33.320 30.597 2.723 1
1 32 . 20 1 1 A 25 25 HIS N N 3 124.890 125.495 -0.605 1
1 33 . 20 1 1 A 26 26 PRO HA H 4 4.170 4.729 -0.559 1
1 40 . 20 1 1 A 26 26 PRO C C 4 175.740 176.596 -0.856 1
1 41 . 20 1 1 A 26 26 PRO CA C 4 62.740 62.149 0.591 1
1 42 . 20 1 1 A 26 26 PRO CB C 4 31.460 29.373 2.087 1
1 45 . 20 1 1 A 27 27 ASP H H 5 8.270 8.418 -0.148 1
1 46 . 20 1 1 A 27 27 ASP HA H 5 4.810 4.596 0.214 1
1 49 . 20 1 1 A 27 27 ASP C C 5 175.400 175.593 -0.193 1
1 50 . 20 1 1 A 27 27 ASP CA C 5 53.310 54.221 -0.911 1
1 51 . 20 1 1 A 27 27 ASP CB C 5 42.390 39.937 2.453 1
1 52 . 20 1 1 A 27 27 ASP N N 5 119.440 121.774 -2.334 1
1 53 . 20 1 1 A 28 28 PHE H H 6 7.280 7.873 -0.593 1
1 54 . 20 1 1 A 28 28 PHE HA H 6 5.440 5.208 0.232 1
1 61 . 20 1 1 A 28 28 PHE C C 6 174.180 173.596 0.584 1
1 62 . 20 1 1 A 28 28 PHE CA C 6 54.590 55.806 -1.216 1
1 63 . 20 1 1 A 28 28 PHE CB C 6 42.310 42.147 0.163 1
1 66 . 20 1 1 A 28 28 PHE N N 6 118.410 120.629 -2.219 1
1 67 . 20 1 1 A 29 29 THR H H 7 8.500 9.129 -0.629 1
1 68 . 20 1 1 A 29 29 THR HA H 7 4.800 5.079 -0.279 1
1 73 . 20 1 1 A 29 29 THR C C 7 172.280 172.784 -0.504 1
1 74 . 20 1 1 A 29 29 THR CA C 7 62.550 59.635 2.915 1
1 75 . 20 1 1 A 29 29 THR CB C 7 70.420 71.320 -0.900 1
1 77 . 20 1 1 A 29 29 THR N N 7 123.070 121.771 1.299 1
1 78 . 20 1 1 A 30 30 ILE H H 8 9.270 9.011 0.259 1
1 79 . 20 1 1 A 30 30 ILE HA H 8 4.680 4.762 -0.082 1
1 89 . 20 1 1 A 30 30 ILE C C 8 173.970 174.539 -0.569 1
1 90 . 20 1 1 A 30 30 ILE CA C 8 59.220 59.735 -0.515 1
1 91 . 20 1 1 A 30 30 ILE CB C 8 40.210 41.298 -1.088 1
1 95 . 20 1 1 A 30 30 ILE N N 8 126.920 127.815 -0.895 1
1 96 . 20 1 1 A 31 31 LEU H H 9 8.760 8.753 0.007 1
1 97 . 20 1 1 A 31 31 LEU HA H 9 4.330 5.023 -0.693 1
1 107 . 20 1 1 A 31 31 LEU C C 9 176.520 176.001 0.519 1
1 108 . 20 1 1 A 31 31 LEU CA C 9 52.960 53.776 -0.816 1
1 109 . 20 1 1 A 31 31 LEU CB C 9 41.820 44.025 -2.205 1
1 113 . 20 1 1 A 31 31 LEU N N 9 126.000 126.643 -0.643 1
1 114 . 20 1 1 A 32 32 TYR H H 10 8.190 8.926 -0.736 1
1 115 . 20 1 1 A 32 32 TYR HA H 10 5.980 5.502 0.478 1
1 118 . 20 1 1 A 32 32 TYR C C 10 177.720 175.364 2.356 1
1 119 . 20 1 1 A 32 32 TYR CA C 10 53.120 56.671 -3.551 1
1 120 . 20 1 1 A 32 32 TYR CB C 10 36.560 39.805 -3.245 1
1 121 . 20 1 1 A 32 32 TYR N N 10 122.130 121.730 0.400 1
1 122 . 20 1 1 A 33 33 VAL H H 11 8.470 8.707 -0.237 1
1 123 . 20 1 1 A 33 33 VAL HA H 11 4.990 5.019 -0.029 1
1 131 . 20 1 1 A 33 33 VAL C C 11 176.030 175.288 0.742 1
1 132 . 20 1 1 A 33 33 VAL CA C 11 58.240 59.042 -0.802 1
1 133 . 20 1 1 A 33 33 VAL CB C 11 35.090 35.200 -0.110 1
1 136 . 20 1 1 A 33 33 VAL N N 11 113.820 117.618 -3.798 1
1 137 . 20 1 1 A 34 34 ASP H H 12 9.750 8.971 0.779 1
1 138 . 20 1 1 A 34 34 ASP HA H 12 4.550 4.674 -0.124 1
1 141 . 20 1 1 A 34 34 ASP C C 12 177.230 175.534 1.696 1
1 142 . 20 1 1 A 34 34 ASP CA C 12 58.000 55.846 2.154 1
1 143 . 20 1 1 A 34 34 ASP CB C 12 42.780 41.291 1.489 1
1 144 . 20 1 1 A 34 34 ASP N N 12 124.140 121.292 2.848 1
1 145 . 20 1 1 A 35 35 ASN H H 13 9.250 7.873 1.377 1
1 146 . 20 1 1 A 35 35 ASN HA H 13 5.120 4.949 0.171 1
1 151 . 20 1 1 A 35 35 ASN CA C 13 50.610 49.854 0.756 1
1 152 . 20 1 1 A 35 35 ASN CB C 13 39.920 39.348 0.572 1
1 153 . 20 1 1 A 35 35 ASN N N 13 114.460 117.154 -2.694 1
1 155 . 20 1 1 A 37 37 PRO HA H 15 4.350 4.259 0.091 1
1 162 . 20 1 1 A 37 37 PRO C C 15 179.310 179.247 0.063 1
1 163 . 20 1 1 A 37 37 PRO CA C 15 67.480 66.593 0.887 1
1 164 . 20 1 1 A 37 37 PRO CB C 15 31.340 30.678 0.662 1
1 167 . 20 1 1 A 38 38 ALA H H 16 7.740 8.139 -0.399 1
1 168 . 20 1 1 A 38 38 ALA HA H 16 4.310 4.127 0.183 1
1 172 . 20 1 1 A 38 38 ALA C C 16 182.490 180.053 2.437 1
1 173 . 20 1 1 A 38 38 ALA CA C 16 55.160 55.058 0.102 1
1 174 . 20 1 1 A 38 38 ALA CB C 16 18.360 18.370 -0.010 1
1 175 . 20 1 1 A 38 38 ALA N N 16 121.510 119.358 2.152 1
1 176 . 20 1 1 A 39 39 SER H H 17 8.770 7.602 1.168 1
1 177 . 20 1 1 A 39 39 SER HA H 17 4.190 4.313 -0.123 1
1 180 . 20 1 1 A 39 39 SER C C 17 175.610 177.453 -1.843 1
1 181 . 20 1 1 A 39 39 SER CA C 17 64.260 61.684 2.576 1
1 182 . 20 1 1 A 39 39 SER CB C 17 62.790 62.991 -0.201 1
1 183 . 20 1 1 A 39 39 SER N N 17 117.520 113.746 3.774 1
1 184 . 20 1 1 A 40 40 THR H H 18 9.310 8.160 1.150 1
1 185 . 20 1 1 A 40 40 THR HA H 18 4.480 4.223 0.257 1
1 190 . 20 1 1 A 40 40 THR C C 18 175.590 177.069 -1.479 1
1 191 . 20 1 1 A 40 40 THR CA C 18 68.130 67.313 0.817 1
1 192 . 20 1 1 A 40 40 THR CB C 18 68.480 68.205 0.275 1
1 194 . 20 1 1 A 40 40 THR N N 18 120.600 117.561 3.039 1
1 195 . 20 1 1 A 41 41 GLN H H 19 7.610 7.750 -0.140 1
1 196 . 20 1 1 A 41 41 GLN HA H 19 4.080 4.025 0.055 1
1 203 . 20 1 1 A 41 41 GLN C C 19 178.110 178.241 -0.131 1
1 204 . 20 1 1 A 41 41 GLN CA C 19 59.170 59.033 0.137 1
1 205 . 20 1 1 A 41 41 GLN CB C 19 28.170 28.028 0.142 1
1 207 . 20 1 1 A 41 41 GLN N N 19 120.130 120.277 -0.147 1
1 209 . 20 1 1 A 42 42 PHE H H 20 7.710 7.854 -0.144 1
1 210 . 20 1 1 A 42 42 PHE HA H 20 4.080 4.125 -0.045 1
1 218 . 20 1 1 A 42 42 PHE C C 20 177.460 177.011 0.449 1
1 219 . 20 1 1 A 42 42 PHE CA C 20 61.760 61.367 0.393 1
1 220 . 20 1 1 A 42 42 PHE CB C 20 38.590 38.789 -0.199 1
1 224 . 20 1 1 A 42 42 PHE N N 20 120.560 122.224 -1.664 1
1 225 . 20 1 1 A 43 43 TYR H H 21 8.890 8.017 0.873 1
1 226 . 20 1 1 A 43 43 TYR HA H 21 3.700 4.113 -0.413 1
1 233 . 20 1 1 A 43 43 TYR C C 21 177.640 178.060 -0.420 1
1 234 . 20 1 1 A 43 43 TYR CA C 21 64.290 61.392 2.898 1
1 235 . 20 1 1 A 43 43 TYR CB C 21 38.110 37.281 0.829 1
1 238 . 20 1 1 A 43 43 TYR N N 21 118.420 117.933 0.487 1
1 239 . 20 1 1 A 44 44 LYS H H 22 8.860 7.954 0.906 1
1 240 . 20 1 1 A 44 44 LYS HA H 22 4.630 3.735 0.895 1
1 249 . 20 1 1 A 44 44 LYS C C 22 179.780 179.068 0.712 1
1 250 . 20 1 1 A 44 44 LYS CA C 22 59.630 59.539 0.091 1
1 251 . 20 1 1 A 44 44 LYS CB C 22 33.210 32.340 0.870 1
1 255 . 20 1 1 A 44 44 LYS N N 22 122.200 120.047 2.153 1
1 256 . 20 1 1 A 45 45 ALA H H 23 7.180 7.435 -0.255 1
1 257 . 20 1 1 A 45 45 ALA HA H 23 4.040 4.003 0.037 1
1 261 . 20 1 1 A 45 45 ALA C C 23 179.130 180.070 -0.940 1
1 262 . 20 1 1 A 45 45 ALA CA C 23 54.350 54.644 -0.294 1
1 263 . 20 1 1 A 45 45 ALA CB C 23 18.030 18.356 -0.326 1
1 264 . 20 1 1 A 45 45 ALA N N 23 120.710 121.527 -0.817 1
1 265 . 20 1 1 A 46 46 LEU H H 24 7.510 7.662 -0.152 1
1 266 . 20 1 1 A 46 46 LEU HA H 24 3.550 3.720 -0.170 1
1 276 . 20 1 1 A 46 46 LEU C C 24 178.680 178.761 -0.081 1
1 277 . 20 1 1 A 46 46 LEU CA C 24 57.910 57.689 0.221 1
1 278 . 20 1 1 A 46 46 LEU CB C 24 43.950 41.188 2.762 1
1 282 . 20 1 1 A 46 46 LEU N N 24 118.650 120.024 -1.374 1
1 283 . 20 1 1 A 47 47 LEU H H 25 8.800 7.589 1.211 1
1 284 . 20 1 1 A 47 47 LEU HA H 25 4.480 4.348 0.132 1
1 294 . 20 1 1 A 47 47 LEU C C 25 178.960 177.308 1.652 1
1 295 . 20 1 1 A 47 47 LEU CA C 25 55.010 56.005 -0.995 1
1 296 . 20 1 1 A 47 47 LEU CB C 25 42.500 42.766 -0.266 1
1 300 . 20 1 1 A 47 47 LEU N N 25 112.540 117.881 -5.341 1
1 301 . 20 1 1 A 48 48 GLY H H 26 7.810 8.079 -0.269 1
1 302 . 20 1 1 A 48 48 GLY HA2 H 26 4.030 3.922 0.108 1
1 303 . 20 1 1 A 48 48 GLY HA3 H 26 3.900 3.951 -0.051 1
1 304 . 20 1 1 A 48 48 GLY C C 26 173.560 173.953 -0.393 1
1 305 . 20 1 1 A 48 48 GLY CA C 26 46.810 46.127 0.683 1
1 306 . 20 1 1 A 48 48 GLY N N 26 107.650 106.477 1.173 1
1 307 . 20 1 1 A 49 49 VAL H H 27 7.100 7.321 -0.221 1
1 308 . 20 1 1 A 49 49 VAL HA H 27 4.700 4.853 -0.153 1
1 316 . 20 1 1 A 49 49 VAL C C 27 172.980 173.818 -0.838 1
1 317 . 20 1 1 A 49 49 VAL CA C 27 58.680 59.093 -0.413 1
1 318 . 20 1 1 A 49 49 VAL CB C 27 36.090 36.103 -0.013 1
1 321 . 20 1 1 A 49 49 VAL N N 27 110.770 115.245 -4.475 1
1 322 . 20 1 1 A 50 50 ASP H H 28 8.100 8.709 -0.609 1
1 323 . 20 1 1 A 50 50 ASP HA H 28 4.930 5.132 -0.202 1
1 326 . 20 1 1 A 50 50 ASP CA C 28 52.550 50.679 1.871 1
1 327 . 20 1 1 A 50 50 ASP CB C 28 40.520 44.665 -4.145 1
1 328 . 20 1 1 A 50 50 ASP N N 28 119.760 120.797 -1.037 1
1 329 . 20 1 1 A 51 51 PRO HA H 29 3.700 4.802 -1.102 1
1 336 . 20 1 1 A 51 51 PRO C C 29 176.580 177.701 -1.121 1
1 337 . 20 1 1 A 51 51 PRO CA C 29 62.900 62.875 0.025 1
1 338 . 20 1 1 A 51 51 PRO CB C 29 30.550 31.767 -1.217 1
1 341 . 20 1 1 A 52 52 VAL H H 30 8.340 8.461 -0.121 1
1 342 . 20 1 1 A 52 52 VAL HA H 30 4.080 3.979 0.101 1
1 350 . 20 1 1 A 52 52 VAL C C 30 176.190 175.643 0.547 1
1 351 . 20 1 1 A 52 52 VAL CA C 30 62.790 64.268 -1.478 1
1 352 . 20 1 1 A 52 52 VAL CB C 30 32.280 32.286 -0.006 1
1 355 . 20 1 1 A 52 52 VAL N N 30 117.320 125.346 -8.026 1
1 356 . 20 1 1 A 53 53 GLU H H 31 7.170 7.635 -0.465 1
1 357 . 20 1 1 A 53 53 GLU HA H 31 4.580 4.765 -0.185 1
1 362 . 20 1 1 A 53 53 GLU C C 31 174.940 175.121 -0.181 1
1 363 . 20 1 1 A 53 53 GLU CA C 31 55.330 55.339 -0.009 1
1 364 . 20 1 1 A 53 53 GLU CB C 31 33.370 30.645 2.725 1
1 366 . 20 1 1 A 53 53 GLU N N 31 118.180 120.494 -2.314 1
1 367 . 20 1 1 A 54 54 SER H H 32 8.650 8.834 -0.184 1
1 368 . 20 1 1 A 54 54 SER HA H 32 5.130 5.658 -0.528 1
1 371 . 20 1 1 A 54 54 SER C C 32 171.990 173.767 -1.777 1
1 372 . 20 1 1 A 54 54 SER CA C 32 57.940 56.125 1.815 1
1 373 . 20 1 1 A 54 54 SER CB C 32 64.720 66.037 -1.317 1
1 374 . 20 1 1 A 54 54 SER N N 32 117.210 119.624 -2.414 1
1 375 . 20 1 1 A 55 55 SER H H 33 8.760 8.670 0.090 1
1 376 . 20 1 1 A 55 55 SER N N 33 124.420 117.586 6.834 1
1 377 . 20 1 1 A 56 56 PRO HA H 34 4.320 4.459 -0.139 1
1 382 . 20 1 1 A 56 56 PRO C C 34 177.290 177.210 0.080 1
1 383 . 20 1 1 A 56 56 PRO CA C 34 65.750 65.054 0.696 1
1 384 . 20 1 1 A 56 56 PRO CB C 34 32.490 31.821 0.669 1
1 386 . 20 1 1 A 57 57 THR H H 35 7.810 8.196 -0.386 1
1 387 . 20 1 1 A 57 57 THR HA H 35 4.630 4.826 -0.196 1
1 392 . 20 1 1 A 57 57 THR C C 35 174.080 173.928 0.152 1
1 393 . 20 1 1 A 57 57 THR CA C 35 61.860 61.254 0.606 1
1 394 . 20 1 1 A 57 57 THR CB C 35 70.940 70.092 0.848 1
1 396 . 20 1 1 A 57 57 THR N N 35 101.710 110.293 -8.583 1
1 397 . 20 1 1 A 58 58 PHE H H 36 7.670 7.722 -0.052 1
1 398 . 20 1 1 A 58 58 PHE HA H 36 5.780 4.990 0.790 1
1 405 . 20 1 1 A 58 58 PHE CA C 36 57.820 58.337 -0.517 1
1 406 . 20 1 1 A 58 58 PHE CB C 36 43.010 42.437 0.573 1
1 409 . 20 1 1 A 58 58 PHE N N 36 124.370 121.599 2.771 1
1 410 . 20 1 1 A 59 59 SER H H 37 8.070 8.027 0.043 1
1 411 . 20 1 1 A 59 59 SER HA H 37 4.890 4.995 -0.105 1
1 414 . 20 1 1 A 59 59 SER C C 37 170.010 172.606 -2.596 1
1 415 . 20 1 1 A 59 59 SER CA C 37 56.660 57.078 -0.418 1
1 416 . 20 1 1 A 59 59 SER CB C 37 67.490 66.110 1.380 1
1 417 . 20 1 1 A 59 59 SER N N 37 122.930 119.284 3.646 1
1 418 . 20 1 1 A 60 60 LEU H H 38 8.140 8.447 -0.307 1
1 419 . 20 1 1 A 60 60 LEU HA H 38 4.810 4.347 0.463 1
1 429 . 20 1 1 A 60 60 LEU C C 38 174.000 174.307 -0.307 1
1 430 . 20 1 1 A 60 60 LEU CA C 38 53.750 54.238 -0.488 1
1 431 . 20 1 1 A 60 60 LEU CB C 38 47.250 45.590 1.660 1
1 435 . 20 1 1 A 60 60 LEU N N 38 122.030 123.323 -1.293 1
1 436 . 20 1 1 A 61 61 PHE H H 39 9.460 8.066 1.394 1
1 437 . 20 1 1 A 61 61 PHE HA H 39 4.580 5.675 -1.095 1
1 444 . 20 1 1 A 61 61 PHE C C 39 174.390 173.696 0.694 1
1 445 . 20 1 1 A 61 61 PHE CA C 39 57.180 55.282 1.898 1
1 446 . 20 1 1 A 61 61 PHE CB C 39 41.570 42.259 -0.689 1
1 449 . 20 1 1 A 61 61 PHE N N 39 124.820 123.285 1.535 1
1 450 . 20 1 1 A 62 62 VAL H H 40 8.640 9.093 -0.453 1
1 451 . 20 1 1 A 62 62 VAL HA H 40 4.260 4.537 -0.277 1
1 459 . 20 1 1 A 62 62 VAL C C 40 175.380 175.011 0.369 1
1 460 . 20 1 1 A 62 62 VAL CA C 40 62.520 61.171 1.349 1
1 461 . 20 1 1 A 62 62 VAL CB C 40 32.470 33.590 -1.120 1
1 464 . 20 1 1 A 62 62 VAL N N 40 122.650 124.583 -1.933 1
1 465 . 20 1 1 A 63 63 LEU H H 41 8.710 8.497 0.213 1
1 466 . 20 1 1 A 63 63 LEU HA H 41 4.590 4.750 -0.160 1
1 476 . 20 1 1 A 63 63 LEU CA C 41 53.560 53.502 0.058 1
1 477 . 20 1 1 A 63 63 LEU CB C 41 41.600 42.669 -1.069 1
1 481 . 20 1 1 A 63 63 LEU N N 41 126.170 127.741 -1.571 1
1 482 . 20 1 1 A 64 64 ALA HA H 42 4.040 4.053 -0.013 1
1 486 . 20 1 1 A 64 64 ALA CA C 42 55.050 54.550 0.500 1
1 487 . 20 1 1 A 64 64 ALA CB C 42 18.580 18.520 0.060 1
1 488 . 20 1 1 A 65 65 ASN H H 43 7.680 7.931 -0.251 1
1 489 . 20 1 1 A 65 65 ASN HA H 43 4.520 4.664 -0.144 1
1 494 . 20 1 1 A 65 65 ASN C C 43 175.860 175.758 0.102 1
1 495 . 20 1 1 A 65 65 ASN CA C 43 52.530 53.344 -0.814 1
1 496 . 20 1 1 A 65 65 ASN CB C 43 37.800 38.647 -0.847 1
1 497 . 20 1 1 A 65 65 ASN N N 43 112.130 114.723 -2.593 1
1 499 . 20 1 1 A 66 66 GLY H H 44 8.070 7.955 0.115 1
1 500 . 20 1 1 A 66 66 GLY HA2 H 44 4.330 3.911 0.419 1
1 501 . 20 1 1 A 66 66 GLY HA3 H 44 3.480 3.913 -0.433 1
1 502 . 20 1 1 A 66 66 GLY C C 44 174.260 173.906 0.354 1
1 503 . 20 1 1 A 66 66 GLY CA C 44 44.930 45.452 -0.522 1
1 504 . 20 1 1 A 66 66 GLY N N 44 107.650 108.325 -0.675 1
1 505 . 20 1 1 A 67 67 MET H H 45 7.900 7.772 0.128 1
1 506 . 20 1 1 A 67 67 MET HA H 45 4.420 5.026 -0.606 1
1 514 . 20 1 1 A 67 67 MET CA C 45 55.520 53.139 2.381 1
1 515 . 20 1 1 A 67 67 MET CB C 45 33.630 35.783 -2.153 1
1 518 . 20 1 1 A 67 67 MET N N 45 121.850 116.564 5.286 1
1 519 . 20 1 1 A 68 68 LYS HA H 46 5.040 5.153 -0.113 1
1 528 . 20 1 1 A 68 68 LYS C C 46 174.600 174.160 0.440 1
1 529 . 20 1 1 A 68 68 LYS CA C 46 55.410 54.972 0.438 1
1 530 . 20 1 1 A 68 68 LYS CB C 46 34.460 35.790 -1.330 1
1 534 . 20 1 1 A 69 69 LEU H H 47 8.830 8.563 0.267 1
1 535 . 20 1 1 A 69 69 LEU HA H 47 5.450 5.448 0.002 1
1 545 . 20 1 1 A 69 69 LEU C C 47 174.880 175.360 -0.480 1
1 546 . 20 1 1 A 69 69 LEU CA C 47 52.980 53.074 -0.094 1
1 547 . 20 1 1 A 69 69 LEU CB C 47 46.560 44.686 1.874 1
1 551 . 20 1 1 A 69 69 LEU N N 47 124.960 127.247 -2.287 1
1 552 . 20 1 1 A 70 70 GLY H H 48 9.580 9.382 0.198 1
1 553 . 20 1 1 A 70 70 GLY HA2 H 48 5.220 3.835 1.385 1
1 554 . 20 1 1 A 70 70 GLY HA3 H 48 3.090 4.126 -1.036 1
1 555 . 20 1 1 A 70 70 GLY C C 48 170.590 171.649 -1.059 1
1 556 . 20 1 1 A 70 70 GLY CA C 48 43.370 44.114 -0.744 1
1 557 . 20 1 1 A 70 70 GLY N N 48 113.940 114.371 -0.431 1
1 558 . 20 1 1 A 71 71 LEU H H 49 8.250 8.038 0.212 1
1 559 . 20 1 1 A 71 71 LEU HA H 49 5.150 4.871 0.279 1
1 569 . 20 1 1 A 71 71 LEU C C 49 173.920 174.069 -0.149 1
1 570 . 20 1 1 A 71 71 LEU CA C 49 52.770 54.072 -1.302 1
1 571 . 20 1 1 A 71 71 LEU CB C 49 43.100 44.262 -1.162 1
1 575 . 20 1 1 A 71 71 LEU N N 49 122.270 121.514 0.756 1
1 576 . 20 1 1 A 72 72 TRP H H 50 8.960 8.931 0.029 1
1 577 . 20 1 1 A 72 72 TRP HA H 50 5.860 5.700 0.160 1
1 584 . 20 1 1 A 72 72 TRP C C 50 175.740 175.816 -0.076 1
1 585 . 20 1 1 A 72 72 TRP CA C 50 53.170 55.446 -2.276 1
1 586 . 20 1 1 A 72 72 TRP CB C 50 34.990 32.337 2.653 1
1 590 . 20 1 1 A 72 72 TRP N N 50 125.010 129.459 -4.449 1
1 592 . 20 1 1 A 73 73 SER H H 51 9.010 8.995 0.015 1
1 593 . 20 1 1 A 73 73 SER HA H 51 4.570 4.990 -0.420 1
1 596 . 20 1 1 A 73 73 SER C C 51 176.240 176.188 0.052 1
1 597 . 20 1 1 A 73 73 SER CA C 51 58.490 59.959 -1.469 1
1 598 . 20 1 1 A 73 73 SER CB C 51 63.770 63.668 0.102 1
1 599 . 20 1 1 A 73 73 SER N N 51 120.380 123.304 -2.924 1
1 600 . 20 1 1 A 74 74 ARG H H 52 9.420 8.961 0.459 1
1 601 . 20 1 1 A 74 74 ARG HA H 52 3.460 3.935 -0.475 1
1 608 . 20 1 1 A 74 74 ARG C C 52 175.610 176.768 -1.158 1
1 609 . 20 1 1 A 74 74 ARG CA C 52 57.590 58.065 -0.475 1
1 610 . 20 1 1 A 74 74 ARG CB C 52 28.900 29.754 -0.854 1
1 613 . 20 1 1 A 74 74 ARG N N 52 128.770 125.037 3.733 1
1 614 . 20 1 1 A 75 75 HIS H H 53 7.910 8.131 -0.221 1
1 615 . 20 1 1 A 75 75 HIS HA H 53 4.310 4.482 -0.172 1
1 619 . 20 1 1 A 75 75 HIS C C 53 176.610 175.415 1.195 1
1 620 . 20 1 1 A 75 75 HIS CA C 53 57.190 57.080 0.110 1
1 621 . 20 1 1 A 75 75 HIS CB C 53 31.260 29.285 1.975 1
1 623 . 20 1 1 A 75 75 HIS N N 53 117.320 116.914 0.406 1
1 624 . 20 1 1 A 76 76 THR H H 54 7.360 7.726 -0.366 1
1 625 . 20 1 1 A 76 76 THR HA H 54 4.540 4.408 0.132 1
1 630 . 20 1 1 A 76 76 THR C C 54 175.120 173.801 1.319 1
1 631 . 20 1 1 A 76 76 THR CA C 54 61.840 61.071 0.769 1
1 632 . 20 1 1 A 76 76 THR CB C 54 69.680 69.869 -0.189 1
1 634 . 20 1 1 A 76 76 THR N N 54 107.350 113.650 -6.300 1
1 635 . 20 1 1 A 77 77 VAL H H 55 6.630 7.174 -0.544 1
1 636 . 20 1 1 A 77 77 VAL HA H 55 2.700 2.354 0.346 1
1 644 . 20 1 1 A 77 77 VAL C C 55 173.920 174.944 -1.024 1
1 645 . 20 1 1 A 77 77 VAL CA C 55 63.500 61.667 1.833 1
1 646 . 20 1 1 A 77 77 VAL CB C 55 31.270 31.879 -0.609 1
1 649 . 20 1 1 A 77 77 VAL N N 55 123.760 122.058 1.702 1
1 650 . 20 1 1 A 78 78 GLU H H 56 6.010 8.270 -2.260 1
1 651 . 20 1 1 A 78 78 GLU HA H 56 4.160 4.760 -0.600 1
1 656 . 20 1 1 A 78 78 GLU CA C 56 53.120 52.429 0.691 1
1 657 . 20 1 1 A 78 78 GLU CB C 56 32.240 32.019 0.221 1
1 659 . 20 1 1 A 78 78 GLU N N 56 124.820 127.035 -2.215 1
1 660 . 20 1 1 A 79 79 PRO HA H 57 4.620 4.456 0.164 1
1 667 . 20 1 1 A 79 79 PRO C C 57 176.190 176.636 -0.446 1
1 668 . 20 1 1 A 79 79 PRO CA C 57 61.890 62.514 -0.624 1
1 669 . 20 1 1 A 79 79 PRO CB C 57 33.620 32.108 1.512 1
1 672 . 20 1 1 A 80 80 LYS H H 58 8.340 8.272 0.068 1
1 673 . 20 1 1 A 80 80 LYS HA H 58 3.880 4.153 -0.273 1
1 682 . 20 1 1 A 80 80 LYS C C 58 177.100 175.490 1.610 1
1 683 . 20 1 1 A 80 80 LYS CA C 58 57.610 57.005 0.605 1
1 684 . 20 1 1 A 80 80 LYS CB C 58 32.400 32.521 -0.121 1
1 688 . 20 1 1 A 80 80 LYS N N 58 121.510 122.477 -0.967 1
1 689 . 20 1 1 A 81 81 ALA H H 59 8.430 8.339 0.091 1
1 690 . 20 1 1 A 81 81 ALA HA H 59 4.870 4.855 0.015 1
1 694 . 20 1 1 A 81 81 ALA C C 59 177.460 176.076 1.384 1
1 695 . 20 1 1 A 81 81 ALA CA C 59 51.020 50.522 0.498 1
1 696 . 20 1 1 A 81 81 ALA CB C 59 22.910 19.903 3.007 1
1 697 . 20 1 1 A 81 81 ALA N N 59 129.030 130.141 -1.111 1
1 698 . 20 1 1 A 82 82 SER H H 60 9.680 8.723 0.957 1
1 699 . 20 1 1 A 82 82 SER HA H 60 4.510 4.774 -0.264 1
1 702 . 20 1 1 A 82 82 SER C C 60 172.960 173.493 -0.533 1
1 703 . 20 1 1 A 82 82 SER CA C 60 58.350 57.543 0.807 1
1 704 . 20 1 1 A 82 82 SER CB C 60 65.150 62.634 2.516 1
1 705 . 20 1 1 A 82 82 SER N N 60 115.930 118.859 -2.929 1
1 706 . 20 1 1 A 83 83 VAL H H 61 7.450 7.763 -0.313 1
1 707 . 20 1 1 A 83 83 VAL HA H 61 4.260 4.673 -0.413 1
1 715 . 20 1 1 A 83 83 VAL CA C 61 60.940 60.160 0.780 1
1 716 . 20 1 1 A 83 83 VAL CB C 61 35.360 35.261 0.099 1
1 719 . 20 1 1 A 83 83 VAL N N 61 121.550 125.561 -4.011 1
1 720 . 20 1 1 A 84 84 THR H H 62 7.850 8.671 -0.821 1
1 721 . 20 1 1 A 84 84 THR HA H 62 4.750 5.157 -0.407 1
1 726 . 20 1 1 A 84 84 THR C C 62 174.040 173.762 0.278 1
1 727 . 20 1 1 A 84 84 THR CA C 62 59.370 60.889 -1.519 1
1 728 . 20 1 1 A 84 84 THR CB C 62 68.800 71.330 -2.530 1
1 730 . 20 1 1 A 84 84 THR N N 62 111.040 117.341 -6.301 1
1 731 . 20 1 1 A 85 85 GLY H H 63 7.950 8.542 -0.592 1
1 732 . 20 1 1 A 85 85 GLY HA2 H 63 3.480 4.019 -0.539 1
1 733 . 20 1 1 A 85 85 GLY HA3 H 63 2.950 4.027 -1.077 1
1 734 . 20 1 1 A 85 85 GLY C C 63 174.140 173.792 0.348 1
1 735 . 20 1 1 A 85 85 GLY CA C 63 45.490 45.233 0.257 1
1 736 . 20 1 1 A 85 85 GLY N N 63 109.700 113.239 -3.539 1
1 737 . 20 1 1 A 86 86 GLY H H 64 8.530 7.926 0.604 1
1 738 . 20 1 1 A 86 86 GLY HA2 H 64 4.550 4.155 0.395 1
1 739 . 20 1 1 A 86 86 GLY HA3 H 64 3.700 4.171 -0.471 1
1 740 . 20 1 1 A 86 86 GLY C C 64 174.700 173.049 1.651 1
1 741 . 20 1 1 A 86 86 GLY CA C 64 45.600 45.388 0.212 1
1 742 . 20 1 1 A 86 86 GLY N N 64 107.420 106.725 0.695 1
1 743 . 20 1 1 A 87 87 GLY H H 65 9.280 8.536 0.744 1
1 744 . 20 1 1 A 87 87 GLY HA2 H 65 4.860 4.219 0.641 1
1 745 . 20 1 1 A 87 87 GLY HA3 H 65 4.160 4.238 -0.078 1
1 746 . 20 1 1 A 87 87 GLY C C 65 172.640 174.043 -1.403 1
1 747 . 20 1 1 A 87 87 GLY CA C 65 45.630 45.164 0.466 1
1 748 . 20 1 1 A 87 87 GLY N N 65 111.380 110.406 0.974 1
1 749 . 20 1 1 A 88 88 GLY H H 66 6.610 8.687 -2.077 1
1 750 . 20 1 1 A 88 88 GLY HA2 H 66 4.020 4.127 -0.107 1
1 751 . 20 1 1 A 88 88 GLY HA3 H 66 2.360 4.165 -1.805 1
1 752 . 20 1 1 A 88 88 GLY C C 66 172.250 173.786 -1.536 1
1 753 . 20 1 1 A 88 88 GLY CA C 66 43.910 45.013 -1.103 1
1 754 . 20 1 1 A 88 88 GLY N N 66 105.700 111.381 -5.681 1
1 755 . 20 1 1 A 89 89 GLU H H 67 9.230 8.815 0.415 1
1 756 . 20 1 1 A 89 89 GLU HA H 67 5.100 4.688 0.412 1
1 761 . 20 1 1 A 89 89 GLU C C 67 175.770 174.958 0.812 1
1 762 . 20 1 1 A 89 89 GLU CA C 67 54.540 55.769 -1.229 1
1 763 . 20 1 1 A 89 89 GLU CB C 67 34.710 30.875 3.835 1
1 765 . 20 1 1 A 89 89 GLU N N 67 117.210 123.785 -6.575 1
1 766 . 20 1 1 A 90 90 LEU H H 68 8.470 9.098 -0.628 1
1 767 . 20 1 1 A 90 90 LEU HA H 68 5.050 5.085 -0.035 1
1 777 . 20 1 1 A 90 90 LEU C C 68 175.460 175.003 0.457 1
1 778 . 20 1 1 A 90 90 LEU CA C 68 54.160 53.842 0.318 1
1 779 . 20 1 1 A 90 90 LEU CB C 68 44.250 44.358 -0.108 1
1 783 . 20 1 1 A 90 90 LEU N N 68 120.420 127.096 -6.676 1
1 784 . 20 1 1 A 91 91 ALA H H 69 8.880 8.873 0.007 1
1 785 . 20 1 1 A 91 91 ALA HA H 69 5.990 5.487 0.503 1
1 789 . 20 1 1 A 91 91 ALA C C 69 175.300 176.604 -1.304 1
1 790 . 20 1 1 A 91 91 ALA CA C 69 50.340 50.822 -0.482 1
1 791 . 20 1 1 A 91 91 ALA CB C 69 21.140 20.012 1.128 1
1 792 . 20 1 1 A 91 91 ALA N N 69 124.720 130.607 -5.887 1
1 793 . 20 1 1 A 92 92 PHE H H 70 10.090 9.621 0.469 1
1 794 . 20 1 1 A 92 92 PHE HA H 70 4.700 5.144 -0.444 1
1 802 . 20 1 1 A 92 92 PHE CA C 70 56.580 57.272 -0.692 1
1 803 . 20 1 1 A 92 92 PHE CB C 70 40.490 39.884 0.606 1
1 807 . 20 1 1 A 92 92 PHE N N 70 122.920 124.085 -1.165 1
1 808 . 20 1 1 A 93 93 ARG H H 71 9.030 9.149 -0.119 1
1 809 . 20 1 1 A 93 93 ARG HA H 71 4.460 4.556 -0.096 1
1 816 . 20 1 1 A 93 93 ARG C C 71 176.910 176.035 0.875 1
1 817 . 20 1 1 A 93 93 ARG CA C 71 55.080 56.148 -1.068 1
1 818 . 20 1 1 A 93 93 ARG CB C 71 31.950 31.358 0.592 1
1 821 . 20 1 1 A 93 93 ARG N N 71 125.390 124.771 0.619 1
1 822 . 20 1 1 A 94 94 VAL H H 72 8.470 8.685 -0.215 1
1 823 . 20 1 1 A 94 94 VAL HA H 72 4.820 4.712 0.108 1
1 831 . 20 1 1 A 94 94 VAL C C 72 176.320 176.184 0.136 1
1 832 . 20 1 1 A 94 94 VAL CA C 72 59.190 58.941 0.249 1
1 833 . 20 1 1 A 94 94 VAL CB C 72 32.550 34.566 -2.016 1
1 836 . 20 1 1 A 94 94 VAL N N 72 119.430 119.958 -0.528 1
1 837 . 20 1 1 A 95 95 GLU H H 73 8.160 8.829 -0.669 1
1 838 . 20 1 1 A 95 95 GLU HA H 73 3.940 4.179 -0.239 1
1 843 . 20 1 1 A 95 95 GLU C C 73 176.560 176.426 0.134 1
1 844 . 20 1 1 A 95 95 GLU CA C 73 59.620 58.284 1.336 1
1 845 . 20 1 1 A 95 95 GLU CB C 73 31.400 29.614 1.786 1
1 847 . 20 1 1 A 95 95 GLU N N 73 116.510 120.364 -3.854 1
1 848 . 20 1 1 A 96 96 ASN H H 74 7.240 7.769 -0.529 1
1 849 . 20 1 1 A 96 96 ASN HA H 74 4.780 4.976 -0.196 1
1 854 . 20 1 1 A 96 96 ASN C C 74 174.960 174.635 0.325 1
1 855 . 20 1 1 A 96 96 ASN CA C 74 51.570 52.590 -1.020 1
1 856 . 20 1 1 A 96 96 ASN CB C 74 40.130 39.367 0.763 1
1 857 . 20 1 1 A 96 96 ASN N N 74 108.930 114.105 -5.175 1
1 859 . 20 1 1 A 97 97 ASP H H 75 8.330 9.054 -0.724 1
1 860 . 20 1 1 A 97 97 ASP HA H 75 4.190 4.409 -0.219 1
1 863 . 20 1 1 A 97 97 ASP C C 75 177.800 178.454 -0.654 1
1 864 . 20 1 1 A 97 97 ASP CA C 75 57.780 56.592 1.188 1
1 865 . 20 1 1 A 97 97 ASP CB C 75 39.230 39.479 -0.249 1
1 866 . 20 1 1 A 97 97 ASP N N 75 120.390 118.202 2.188 1
1 867 . 20 1 1 A 98 98 ALA H H 76 8.090 7.995 0.095 1
1 868 . 20 1 1 A 98 98 ALA HA H 76 4.210 3.942 0.268 1
1 872 . 20 1 1 A 98 98 ALA C C 76 181.130 179.995 1.135 1
1 873 . 20 1 1 A 98 98 ALA CA C 76 55.160 55.150 0.010 1
1 874 . 20 1 1 A 98 98 ALA CB C 76 17.440 17.904 -0.464 1
1 875 . 20 1 1 A 98 98 ALA N N 76 122.660 121.663 0.997 1
1 876 . 20 1 1 A 99 99 GLN H H 77 8.110 7.667 0.443 1
1 877 . 20 1 1 A 99 99 GLN HA H 77 4.170 4.055 0.115 1
1 884 . 20 1 1 A 99 99 GLN C C 77 180.190 178.703 1.487 1
1 885 . 20 1 1 A 99 99 GLN CA C 77 58.680 58.477 0.203 1
1 886 . 20 1 1 A 99 99 GLN CB C 77 28.590 28.681 -0.091 1
1 888 . 20 1 1 A 99 99 GLN N N 77 116.870 118.270 -1.400 1
1 890 . 20 1 1 A 100 100 VAL H H 78 7.860 7.598 0.262 1
1 891 . 20 1 1 A 100 100 VAL HA H 78 3.400 3.556 -0.156 1
1 899 . 20 1 1 A 100 100 VAL C C 78 177.510 178.072 -0.562 1
1 900 . 20 1 1 A 100 100 VAL CA C 78 67.800 66.409 1.391 1
1 901 . 20 1 1 A 100 100 VAL CB C 78 30.810 31.595 -0.785 1
1 904 . 20 1 1 A 100 100 VAL N N 78 125.200 120.880 4.320 1
1 905 . 20 1 1 A 101 101 ASP H H 79 7.810 7.878 -0.068 1
1 906 . 20 1 1 A 101 101 ASP HA H 79 4.420 4.227 0.193 1
1 909 . 20 1 1 A 101 101 ASP C C 79 175.010 178.626 -3.616 1
1 910 . 20 1 1 A 101 101 ASP CA C 79 58.490 56.954 1.536 1
1 911 . 20 1 1 A 101 101 ASP CB C 79 40.400 40.655 -0.255 1
1 912 . 20 1 1 A 101 101 ASP N N 79 119.560 120.293 -0.733 1
1 913 . 20 1 1 A 102 102 GLU H H 80 8.620 8.075 0.545 1
1 914 . 20 1 1 A 102 102 GLU HA H 80 4.080 4.036 0.044 1
1 919 . 20 1 1 A 102 102 GLU C C 80 179.540 179.353 0.187 1
1 920 . 20 1 1 A 102 102 GLU CA C 80 59.470 59.399 0.071 1
1 921 . 20 1 1 A 102 102 GLU CB C 80 30.210 29.147 1.063 1
1 923 . 20 1 1 A 102 102 GLU N N 80 121.400 119.073 2.327 1
1 924 . 20 1 1 A 103 103 THR H H 81 8.120 7.720 0.400 1
1 925 . 20 1 1 A 103 103 THR HA H 81 3.660 3.748 -0.088 1
1 930 . 20 1 1 A 103 103 THR C C 81 174.440 176.079 -1.639 1
1 931 . 20 1 1 A 103 103 THR CA C 81 66.990 66.077 0.913 1
1 932 . 20 1 1 A 103 103 THR CB C 81 68.070 68.199 -0.129 1
1 934 . 20 1 1 A 103 103 THR N N 81 118.770 117.936 0.834 1
1 935 . 20 1 1 A 104 104 PHE H H 82 8.340 7.944 0.396 1
1 936 . 20 1 1 A 104 104 PHE HA H 82 3.030 3.668 -0.638 1
1 943 . 20 1 1 A 104 104 PHE C C 82 176.050 176.853 -0.803 1
1 944 . 20 1 1 A 104 104 PHE CA C 82 61.480 62.020 -0.540 1
1 945 . 20 1 1 A 104 104 PHE CB C 82 38.550 38.765 -0.215 1
1 948 . 20 1 1 A 104 104 PHE N N 82 122.350 121.471 0.879 1
1 949 . 20 1 1 A 105 105 ALA H H 83 7.780 8.426 -0.646 1
1 950 . 20 1 1 A 105 105 ALA HA H 83 3.680 4.115 -0.435 1
1 954 . 20 1 1 A 105 105 ALA C C 83 181.410 179.870 1.540 1
1 955 . 20 1 1 A 105 105 ALA CA C 83 54.880 55.043 -0.163 1
1 956 . 20 1 1 A 105 105 ALA CB C 83 18.080 18.328 -0.248 1
1 957 . 20 1 1 A 105 105 ALA N N 83 118.740 121.141 -2.401 1
1 958 . 20 1 1 A 106 106 GLY H H 84 8.120 8.047 0.073 1
1 959 . 20 1 1 A 106 106 GLY HA2 H 84 3.910 3.603 0.307 1
1 960 . 20 1 1 A 106 106 GLY HA3 H 84 3.810 3.613 0.197 1
1 961 . 20 1 1 A 106 106 GLY C C 84 176.780 177.236 -0.456 1
1 962 . 20 1 1 A 106 106 GLY CA C 84 46.910 47.061 -0.151 1
1 963 . 20 1 1 A 106 106 GLY N N 84 107.090 105.145 1.945 1
1 964 . 20 1 1 A 107 107 TRP H H 85 9.240 7.864 1.376 1
1 965 . 20 1 1 A 107 107 TRP HA H 85 4.440 4.635 -0.195 1
1 972 . 20 1 1 A 107 107 TRP C C 85 179.210 178.416 0.794 1
1 973 . 20 1 1 A 107 107 TRP CA C 85 59.190 60.633 -1.443 1
1 974 . 20 1 1 A 107 107 TRP CB C 85 28.450 29.178 -0.728 1
1 978 . 20 1 1 A 107 107 TRP N N 85 124.820 122.151 2.669 1
1 980 . 20 1 1 A 108 108 LYS H H 86 8.610 8.420 0.190 1
1 981 . 20 1 1 A 108 108 LYS HA H 86 3.920 3.926 -0.006 1
1 990 . 20 1 1 A 108 108 LYS C C 86 180.980 178.538 2.442 1
1 991 . 20 1 1 A 108 108 LYS CA C 86 60.040 59.665 0.375 1
1 992 . 20 1 1 A 108 108 LYS CB C 86 31.850 32.342 -0.492 1
1 996 . 20 1 1 A 108 108 LYS N N 86 121.490 121.330 0.160 1
1 997 . 20 1 1 A 109 109 ALA H H 87 7.890 8.015 -0.125 1
1 998 . 20 1 1 A 109 109 ALA HA H 87 4.150 4.179 -0.029 1
1 1002 . 20 1 1 A 109 109 ALA C C 87 179.050 178.486 0.564 1
1 1003 . 20 1 1 A 109 109 ALA CA C 87 54.670 54.434 0.236 1
1 1004 . 20 1 1 A 109 109 ALA CB C 87 18.010 18.324 -0.314 1
1 1005 . 20 1 1 A 109 109 ALA N N 87 121.920 121.504 0.416 1
1 1006 . 20 1 1 A 110 110 SER H H 88 7.510 7.467 0.043 1
1 1007 . 20 1 1 A 110 110 SER HA H 88 4.450 4.621 -0.171 1
1 1010 . 20 1 1 A 110 110 SER C C 88 174.140 174.614 -0.474 1
1 1011 . 20 1 1 A 110 110 SER CA C 88 58.750 58.307 0.443 1
1 1012 . 20 1 1 A 110 110 SER CB C 88 63.950 63.511 0.439 1
1 1013 . 20 1 1 A 110 110 SER N N 88 112.390 111.550 0.840 1
1 1014 . 20 1 1 A 111 111 GLY H H 89 7.790 7.702 0.088 1
1 1015 . 20 1 1 A 111 111 GLY HA2 H 89 4.180 3.982 0.198 1
1 1016 . 20 1 1 A 111 111 GLY HA3 H 89 3.700 4.002 -0.302 1
1 1017 . 20 1 1 A 111 111 GLY C C 89 174.520 174.612 -0.092 1
1 1018 . 20 1 1 A 111 111 GLY CA C 89 45.530 46.920 -1.390 1
1 1019 . 20 1 1 A 111 111 GLY N N 89 108.220 110.162 -1.942 1
1 1020 . 20 1 1 A 112 112 VAL H H 90 7.660 7.518 0.142 1
1 1021 . 20 1 1 A 112 112 VAL HA H 90 3.830 4.217 -0.387 1
1 1029 . 20 1 1 A 112 112 VAL C C 90 175.430 176.910 -1.480 1
1 1030 . 20 1 1 A 112 112 VAL CA C 90 63.880 60.020 3.860 1
1 1031 . 20 1 1 A 112 112 VAL CB C 90 32.040 33.602 -1.562 1
1 1034 . 20 1 1 A 112 112 VAL N N 90 122.880 119.537 3.343 1
1 1035 . 20 1 1 A 113 113 ALA H H 91 8.720 8.289 0.431 1
1 1036 . 20 1 1 A 113 113 ALA HA H 91 4.210 3.963 0.247 1
1 1040 . 20 1 1 A 113 113 ALA C C 91 176.290 177.932 -1.642 1
1 1041 . 20 1 1 A 113 113 ALA CA C 91 52.900 54.508 -1.608 1
1 1042 . 20 1 1 A 113 113 ALA CB C 91 19.290 18.868 0.422 1
1 1043 . 20 1 1 A 113 113 ALA N N 91 132.080 130.050 2.030 1
1 1044 . 20 1 1 A 114 114 MET H H 92 8.260 8.022 0.238 1
1 1045 . 20 1 1 A 114 114 MET HA H 92 5.330 4.221 1.109 1
1 1051 . 20 1 1 A 114 114 MET C C 92 176.780 176.487 0.293 1
1 1052 . 20 1 1 A 114 114 MET CA C 92 53.390 56.096 -2.706 1
1 1053 . 20 1 1 A 114 114 MET CB C 92 33.450 30.238 3.212 1
1 1055 . 20 1 1 A 114 114 MET N N 92 116.930 117.134 -0.204 1
1 1056 . 20 1 1 A 115 115 LEU H H 93 8.990 8.093 0.897 1
1 1057 . 20 1 1 A 115 115 LEU HA H 93 4.550 4.941 -0.391 1
1 1067 . 20 1 1 A 115 115 LEU C C 93 176.630 175.640 0.990 1
1 1068 . 20 1 1 A 115 115 LEU CA C 93 55.140 54.080 1.060 1
1 1069 . 20 1 1 A 115 115 LEU CB C 93 44.810 42.499 2.311 1
1 1073 . 20 1 1 A 115 115 LEU N N 93 122.250 119.513 2.737 1
1 1074 . 20 1 1 A 116 116 GLN H H 94 8.280 8.234 0.046 1
1 1075 . 20 1 1 A 116 116 GLN HA H 94 4.700 4.666 0.034 1
1 1080 . 20 1 1 A 116 116 GLN C C 94 174.860 174.188 0.672 1
1 1081 . 20 1 1 A 116 116 GLN CA C 94 55.600 55.720 -0.120 1
1 1082 . 20 1 1 A 116 116 GLN CB C 94 33.510 32.491 1.019 1
1 1083 . 20 1 1 A 116 116 GLN N N 94 121.140 123.195 -2.055 1
1 1085 . 20 1 1 A 117 117 GLN H H 95 8.490 8.612 -0.122 1
1 1086 . 20 1 1 A 117 117 GLN HA H 95 4.080 4.666 -0.586 1
1 1093 . 20 1 1 A 117 117 GLN CA C 95 54.860 53.786 1.074 1
1 1094 . 20 1 1 A 117 117 GLN CB C 95 26.550 28.658 -2.108 1
1 1096 . 20 1 1 A 117 117 GLN N N 95 125.610 125.490 0.120 1
1 1098 . 20 1 1 A 118 118 PRO HA H 96 4.410 5.050 -0.640 1
1 1103 . 20 1 1 A 118 118 PRO C C 96 176.290 175.303 0.987 1
1 1104 . 20 1 1 A 118 118 PRO CA C 96 64.130 62.751 1.379 1
1 1105 . 20 1 1 A 118 118 PRO CB C 96 30.550 31.103 -0.553 1
1 1107 . 20 1 1 A 119 119 ALA H H 97 8.980 7.954 1.026 1
1 1108 . 20 1 1 A 119 119 ALA HA H 97 4.550 4.641 -0.091 1
1 1112 . 20 1 1 A 119 119 ALA C C 97 175.820 175.874 -0.054 1
1 1113 . 20 1 1 A 119 119 ALA CA C 97 51.100 50.334 0.766 1
1 1114 . 20 1 1 A 119 119 ALA CB C 97 22.150 23.373 -1.223 1
1 1115 . 20 1 1 A 119 119 ALA N N 97 126.580 125.675 0.905 1
1 1116 . 20 1 1 A 120 120 LYS H H 98 8.710 8.469 0.241 1
1 1117 . 20 1 1 A 120 120 LYS HA H 98 4.450 4.524 -0.074 1
1 1126 . 20 1 1 A 120 120 LYS C C 98 175.950 176.139 -0.189 1
1 1127 . 20 1 1 A 120 120 LYS CA C 98 56.360 57.223 -0.863 1
1 1128 . 20 1 1 A 120 120 LYS CB C 98 32.090 33.317 -1.227 1
1 1132 . 20 1 1 A 120 120 LYS N N 98 121.330 120.385 0.945 1
1 1133 . 20 1 1 A 121 121 MET H H 99 8.130 8.361 -0.231 1
1 1138 . 20 1 1 A 121 121 MET N N 99 125.590 120.959 4.631 1
1 1139 . 20 1 1 A 122 122 GLU HA H 100 3.890 3.768 0.122 1
1 1144 . 20 1 1 A 122 122 GLU C C 100 176.450 177.228 -0.778 1
1 1145 . 20 1 1 A 122 122 GLU CA C 100 59.740 58.925 0.815 1
1 1146 . 20 1 1 A 122 122 GLU CB C 100 29.200 28.962 0.238 1
1 1148 . 20 1 1 A 123 123 PHE H H 101 6.120 7.362 -1.242 1
1 1149 . 20 1 1 A 123 123 PHE HA H 101 4.430 4.598 -0.168 1
1 1152 . 20 1 1 A 123 123 PHE C C 101 173.950 175.247 -1.297 1
1 1153 . 20 1 1 A 123 123 PHE CA C 101 54.750 58.040 -3.290 1
1 1154 . 20 1 1 A 123 123 PHE CB C 101 38.630 39.794 -1.164 1
1 1155 . 20 1 1 A 123 123 PHE N N 101 108.900 116.032 -7.132 1
1 1156 . 20 1 1 A 124 124 GLY H H 102 6.670 7.173 -0.503 1
1 1157 . 20 1 1 A 124 124 GLY HA2 H 102 4.780 4.029 0.751 1
1 1158 . 20 1 1 A 124 124 GLY HA3 H 102 3.770 4.129 -0.359 1
1 1159 . 20 1 1 A 124 124 GLY C C 102 170.410 172.550 -2.140 1
1 1160 . 20 1 1 A 124 124 GLY CA C 102 44.570 43.915 0.655 1
1 1161 . 20 1 1 A 124 124 GLY N N 102 108.900 107.601 1.299 1
1 1162 . 20 1 1 A 125 125 TYR H H 103 8.210 8.530 -0.320 1
1 1163 . 20 1 1 A 125 125 TYR HA H 103 5.080 4.840 0.240 1
1 1170 . 20 1 1 A 125 125 TYR C C 103 175.980 174.303 1.677 1
1 1171 . 20 1 1 A 125 125 TYR CA C 103 56.530 57.167 -0.637 1
1 1172 . 20 1 1 A 125 125 TYR CB C 103 40.180 38.953 1.227 1
1 1175 . 20 1 1 A 125 125 TYR N N 103 123.360 122.263 1.097 1
1 1176 . 20 1 1 A 126 126 THR H H 104 8.450 8.860 -0.410 1
1 1177 . 20 1 1 A 126 126 THR HA H 104 5.630 5.206 0.424 1
1 1182 . 20 1 1 A 126 126 THR C C 104 170.010 173.157 -3.147 1
1 1183 . 20 1 1 A 126 126 THR CA C 104 58.490 60.417 -1.927 1
1 1184 . 20 1 1 A 126 126 THR CB C 104 72.110 71.303 0.807 1
1 1186 . 20 1 1 A 126 126 THR N N 104 120.720 122.368 -1.648 1
1 1187 . 20 1 1 A 127 127 PHE H H 105 8.170 9.085 -0.915 1
1 1188 . 20 1 1 A 127 127 PHE HA H 105 4.620 5.599 -0.979 1
1 1195 . 20 1 1 A 127 127 PHE C C 105 172.490 173.192 -0.702 1
1 1196 . 20 1 1 A 127 127 PHE CA C 105 56.610 57.631 -1.021 1
1 1197 . 20 1 1 A 127 127 PHE CB C 105 41.710 42.749 -1.039 1
1 1200 . 20 1 1 A 127 127 PHE N N 105 120.530 128.210 -7.680 1
1 1201 . 20 1 1 A 128 128 THR H H 106 8.450 8.533 -0.083 1
1 1202 . 20 1 1 A 128 128 THR HA H 106 5.090 5.122 -0.032 1
1 1207 . 20 1 1 A 128 128 THR C C 106 172.750 173.089 -0.339 1
1 1208 . 20 1 1 A 128 128 THR CA C 106 63.340 60.906 2.434 1
1 1209 . 20 1 1 A 128 128 THR CB C 106 70.420 71.681 -1.261 1
1 1211 . 20 1 1 A 128 128 THR N N 106 114.010 120.586 -6.576 1
1 1212 . 20 1 1 A 129 129 ALA H H 107 10.030 8.832 1.198 1
1 1213 . 20 1 1 A 129 129 ALA HA H 107 5.540 5.239 0.301 1
1 1217 . 20 1 1 A 129 129 ALA C C 107 179.620 175.712 3.908 1
1 1218 . 20 1 1 A 129 129 ALA CA C 107 50.640 49.934 0.706 1
1 1219 . 20 1 1 A 129 129 ALA CB C 107 24.570 22.369 2.201 1
1 1220 . 20 1 1 A 129 129 ALA N N 107 135.110 129.020 6.090 1
1 1221 . 20 1 1 A 130 130 ALA H H 108 8.650 8.867 -0.217 1
1 1222 . 20 1 1 A 130 130 ALA HA H 108 5.380 5.264 0.116 1
1 1226 . 20 1 1 A 130 130 ALA C C 108 175.480 176.229 -0.749 1
1 1227 . 20 1 1 A 130 130 ALA CA C 108 50.100 49.991 0.109 1
1 1228 . 20 1 1 A 130 130 ALA CB C 108 22.770 21.098 1.672 1
1 1229 . 20 1 1 A 130 130 ALA N N 108 121.150 123.052 -1.902 1
1 1230 . 20 1 1 A 131 131 ASP H H 109 8.770 8.441 0.329 1
1 1231 . 20 1 1 A 131 131 ASP HA H 109 3.910 4.744 -0.834 1
1 1234 . 20 1 1 A 131 131 ASP CA C 109 51.290 52.103 -0.813 1
1 1235 . 20 1 1 A 131 131 ASP CB C 109 41.350 40.388 0.962 1
1 1236 . 20 1 1 A 131 131 ASP N N 109 123.100 124.043 -0.943 1
1 1237 . 20 1 1 A 132 132 PRO HA H 110 4.140 4.109 0.031 1
1 1242 . 20 1 1 A 132 132 PRO C C 110 176.890 177.709 -0.819 1
1 1243 . 20 1 1 A 132 132 PRO CA C 110 65.730 65.621 0.109 1
1 1244 . 20 1 1 A 132 132 PRO CB C 110 31.850 31.621 0.229 1
1 1246 . 20 1 1 A 133 133 ASP H H 111 8.740 7.444 1.296 1
1 1247 . 20 1 1 A 133 133 ASP HA H 111 4.800 4.457 0.343 1
1 1250 . 20 1 1 A 133 133 ASP C C 111 173.720 175.490 -1.770 1
1 1251 . 20 1 1 A 133 133 ASP CA C 111 54.140 56.157 -2.017 1
1 1252 . 20 1 1 A 133 133 ASP CB C 111 42.910 41.028 1.882 1
1 1253 . 20 1 1 A 133 133 ASP N N 111 118.220 116.813 1.407 1
1 1254 . 20 1 1 A 134 134 SER H H 112 8.370 7.462 0.908 1
1 1255 . 20 1 1 A 134 134 SER HA H 112 3.710 3.953 -0.243 1
1 1258 . 20 1 1 A 134 134 SER CA C 112 60.670 59.000 1.670 1
1 1259 . 20 1 1 A 134 134 SER CB C 112 61.430 61.260 0.170 1
1 1260 . 20 1 1 A 134 134 SER N N 112 109.220 113.067 -3.847 1
1 1261 . 20 1 1 A 135 135 HIS H H 113 8.850 7.289 1.561 1
1 1268 . 20 1 1 A 135 135 HIS N N 113 122.820 118.716 4.104 1
1 1269 . 20 1 1 A 136 136 ARG HA H 114 4.680 4.814 -0.134 1
1 1270 . 20 1 1 A 136 136 ARG C C 114 175.220 175.273 -0.053 1
1 1271 . 20 1 1 A 136 136 ARG CA C 114 57.560 55.036 2.524 1
1 1272 . 20 1 1 A 137 137 LEU H H 115 8.680 8.741 -0.061 1
1 1273 . 20 1 1 A 137 137 LEU HA H 115 5.490 5.146 0.344 1
1 1282 . 20 1 1 A 137 137 LEU C C 115 174.620 174.982 -0.362 1
1 1283 . 20 1 1 A 137 137 LEU CA C 115 52.580 54.325 -1.745 1
1 1284 . 20 1 1 A 137 137 LEU CB C 115 43.070 42.310 0.760 1
1 1287 . 20 1 1 A 137 137 LEU N N 115 123.990 126.138 -2.148 1
1 1288 . 20 1 1 A 138 138 ARG H H 116 9.510 9.492 0.018 1
1 1289 . 20 1 1 A 138 138 ARG HA H 116 5.120 4.748 0.372 1
1 1292 . 20 1 1 A 138 138 ARG C C 116 175.090 174.638 0.452 1
1 1293 . 20 1 1 A 138 138 ARG CA C 116 54.700 55.362 -0.662 1
1 1294 . 20 1 1 A 138 138 ARG CB C 116 33.480 31.227 2.253 1
1 1295 . 20 1 1 A 138 138 ARG N N 116 125.370 126.429 -1.059 1
1 1296 . 20 1 1 A 139 139 VAL H H 117 7.970 8.548 -0.578 1
1 1297 . 20 1 1 A 139 139 VAL HA H 117 5.280 5.084 0.196 1
1 1305 . 20 1 1 A 139 139 VAL C C 117 176.390 175.256 1.134 1
1 1306 . 20 1 1 A 139 139 VAL CA C 117 60.090 62.154 -2.064 1
1 1307 . 20 1 1 A 139 139 VAL CB C 117 32.690 32.385 0.305 1
1 1310 . 20 1 1 A 139 139 VAL N N 117 128.260 126.801 1.459 1
1 1311 . 20 1 1 A 140 140 TYR H H 118 9.200 8.898 0.302 1
1 1312 . 20 1 1 A 140 140 TYR HA H 118 5.800 5.728 0.072 1
1 1319 . 20 1 1 A 140 140 TYR C C 118 170.820 172.821 -2.001 1
1 1320 . 20 1 1 A 140 140 TYR CA C 118 56.060 55.490 0.570 1
1 1321 . 20 1 1 A 140 140 TYR CB C 118 42.460 41.502 0.958 1
1 1324 . 20 1 1 A 140 140 TYR N N 118 127.020 124.538 2.482 1
1 1325 . 20 1 1 A 141 141 ALA H H 119 8.330 8.928 -0.598 1
1 1326 . 20 1 1 A 141 141 ALA HA H 119 4.560 4.926 -0.366 1
1 1330 . 20 1 1 A 141 141 ALA C C 119 177.150 175.849 1.301 1
1 1331 . 20 1 1 A 141 141 ALA CA C 119 50.530 51.266 -0.736 1
1 1332 . 20 1 1 A 141 141 ALA CB C 119 21.220 21.445 -0.225 1
1 1333 . 20 1 1 A 141 141 ALA N N 119 121.160 122.252 -1.092 1
1 1334 . 20 1 1 A 142 142 PHE H H 120 8.780 9.190 -0.410 1
1 1335 . 20 1 1 A 142 142 PHE HA H 120 4.910 4.975 -0.065 1
1 1340 . 20 1 1 A 142 142 PHE C C 120 175.090 174.223 0.867 1
1 1341 . 20 1 1 A 142 142 PHE CA C 120 57.720 57.370 0.350 1
1 1342 . 20 1 1 A 142 142 PHE CB C 120 40.810 40.013 0.797 1
1 1344 . 20 1 1 A 142 142 PHE N N 120 122.630 126.580 -3.950 1
1 1345 . 20 1 1 A 143 143 ALA H H 121 8.190 8.347 -0.157 1
1 1346 . 20 1 1 A 143 143 ALA HA H 121 4.330 4.428 -0.098 1
1 1350 . 20 1 1 A 143 143 ALA C C 121 176.260 177.327 -1.067 1
1 1351 . 20 1 1 A 143 143 ALA CA C 121 52.280 52.381 -0.101 1
1 1352 . 20 1 1 A 143 143 ALA CB C 121 19.310 18.636 0.674 1
1 1353 . 20 1 1 A 143 143 ALA N N 121 129.460 129.821 -0.361 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 102 1.167 1
2 1 1 1 "RMS(OBS, PRED)" CA 116 1.245 1
3 1 1 1 "RMS(OBS, PRED)" CB 105 1.310 1
4 1 1 1 "RMS(OBS, PRED)" H 108 0.656 1
5 1 1 1 "RMS(OBS, PRED)" HA 126 0.441 1
6 1 1 1 "RMS(OBS, PRED)" N 108 3.314 1
7 1 2 1 "RMS(OBS, PRED)" C 102 1.210 1
8 1 2 1 "RMS(OBS, PRED)" CA 116 1.227 1
9 1 2 1 "RMS(OBS, PRED)" CB 105 1.248 1
10 1 2 1 "RMS(OBS, PRED)" H 108 0.735 1
11 1 2 1 "RMS(OBS, PRED)" HA 126 0.474 1
12 1 2 1 "RMS(OBS, PRED)" N 108 3.377 1
13 1 3 1 "RMS(OBS, PRED)" C 102 1.269 1
14 1 3 1 "RMS(OBS, PRED)" CA 116 1.155 1
15 1 3 1 "RMS(OBS, PRED)" CB 105 1.307 1
16 1 3 1 "RMS(OBS, PRED)" H 108 0.693 1
17 1 3 1 "RMS(OBS, PRED)" HA 126 0.445 1
18 1 3 1 "RMS(OBS, PRED)" N 108 3.238 1
19 1 4 1 "RMS(OBS, PRED)" C 102 1.237 1
20 1 4 1 "RMS(OBS, PRED)" CA 116 1.251 1
21 1 4 1 "RMS(OBS, PRED)" CB 105 1.349 1
22 1 4 1 "RMS(OBS, PRED)" H 108 0.672 1
23 1 4 1 "RMS(OBS, PRED)" HA 126 0.446 1
24 1 4 1 "RMS(OBS, PRED)" N 108 3.073 1
25 1 5 1 "RMS(OBS, PRED)" C 102 1.248 1
26 1 5 1 "RMS(OBS, PRED)" CA 116 1.179 1
27 1 5 1 "RMS(OBS, PRED)" CB 105 1.255 1
28 1 5 1 "RMS(OBS, PRED)" H 108 0.660 1
29 1 5 1 "RMS(OBS, PRED)" HA 126 0.452 1
30 1 5 1 "RMS(OBS, PRED)" N 108 3.354 1
31 1 6 1 "RMS(OBS, PRED)" C 102 1.200 1
32 1 6 1 "RMS(OBS, PRED)" CA 116 1.301 1
33 1 6 1 "RMS(OBS, PRED)" CB 105 1.382 1
34 1 6 1 "RMS(OBS, PRED)" H 108 0.659 1
35 1 6 1 "RMS(OBS, PRED)" HA 126 0.471 1
36 1 6 1 "RMS(OBS, PRED)" N 108 3.521 1
37 1 7 1 "RMS(OBS, PRED)" C 102 1.177 1
38 1 7 1 "RMS(OBS, PRED)" CA 116 1.268 1
39 1 7 1 "RMS(OBS, PRED)" CB 105 1.433 1
40 1 7 1 "RMS(OBS, PRED)" H 108 0.639 1
41 1 7 1 "RMS(OBS, PRED)" HA 126 0.444 1
42 1 7 1 "RMS(OBS, PRED)" N 108 3.311 1
43 1 8 1 "RMS(OBS, PRED)" C 102 1.208 1
44 1 8 1 "RMS(OBS, PRED)" CA 116 1.215 1
45 1 8 1 "RMS(OBS, PRED)" CB 105 1.342 1
46 1 8 1 "RMS(OBS, PRED)" H 108 0.613 1
47 1 8 1 "RMS(OBS, PRED)" HA 126 0.451 1
48 1 8 1 "RMS(OBS, PRED)" N 108 3.171 1
49 1 9 1 "RMS(OBS, PRED)" C 102 1.201 1
50 1 9 1 "RMS(OBS, PRED)" CA 116 1.373 1
51 1 9 1 "RMS(OBS, PRED)" CB 105 1.341 1
52 1 9 1 "RMS(OBS, PRED)" H 108 0.694 1
53 1 9 1 "RMS(OBS, PRED)" HA 126 0.494 1
54 1 9 1 "RMS(OBS, PRED)" N 108 3.213 1
55 1 10 1 "RMS(OBS, PRED)" C 102 1.167 1
56 1 10 1 "RMS(OBS, PRED)" CA 116 1.241 1
57 1 10 1 "RMS(OBS, PRED)" CB 105 1.288 1
58 1 10 1 "RMS(OBS, PRED)" H 108 0.654 1
59 1 10 1 "RMS(OBS, PRED)" HA 126 0.447 1
60 1 10 1 "RMS(OBS, PRED)" N 108 3.077 1
61 1 11 1 "RMS(OBS, PRED)" C 102 1.229 1
62 1 11 1 "RMS(OBS, PRED)" CA 116 1.187 1
63 1 11 1 "RMS(OBS, PRED)" CB 105 1.291 1
64 1 11 1 "RMS(OBS, PRED)" H 108 0.686 1
65 1 11 1 "RMS(OBS, PRED)" HA 126 0.428 1
66 1 11 1 "RMS(OBS, PRED)" N 108 3.106 1
67 1 12 1 "RMS(OBS, PRED)" C 102 1.181 1
68 1 12 1 "RMS(OBS, PRED)" CA 116 1.194 1
69 1 12 1 "RMS(OBS, PRED)" CB 105 1.277 1
70 1 12 1 "RMS(OBS, PRED)" H 108 0.658 1
71 1 12 1 "RMS(OBS, PRED)" HA 126 0.466 1
72 1 12 1 "RMS(OBS, PRED)" N 108 3.297 1
73 1 13 1 "RMS(OBS, PRED)" C 102 1.252 1
74 1 13 1 "RMS(OBS, PRED)" CA 116 1.287 1
75 1 13 1 "RMS(OBS, PRED)" CB 105 1.401 1
76 1 13 1 "RMS(OBS, PRED)" H 108 0.668 1
77 1 13 1 "RMS(OBS, PRED)" HA 126 0.432 1
78 1 13 1 "RMS(OBS, PRED)" N 108 3.165 1
79 1 14 1 "RMS(OBS, PRED)" C 102 1.190 1
80 1 14 1 "RMS(OBS, PRED)" CA 116 1.230 1
81 1 14 1 "RMS(OBS, PRED)" CB 105 1.343 1
82 1 14 1 "RMS(OBS, PRED)" H 108 0.648 1
83 1 14 1 "RMS(OBS, PRED)" HA 126 0.431 1
84 1 14 1 "RMS(OBS, PRED)" N 108 3.318 1
85 1 15 1 "RMS(OBS, PRED)" C 102 1.232 1
86 1 15 1 "RMS(OBS, PRED)" CA 116 1.195 1
87 1 15 1 "RMS(OBS, PRED)" CB 105 1.343 1
88 1 15 1 "RMS(OBS, PRED)" H 108 0.665 1
89 1 15 1 "RMS(OBS, PRED)" HA 126 0.461 1
90 1 15 1 "RMS(OBS, PRED)" N 108 3.394 1
91 1 16 1 "RMS(OBS, PRED)" C 102 1.218 1
92 1 16 1 "RMS(OBS, PRED)" CA 116 1.268 1
93 1 16 1 "RMS(OBS, PRED)" CB 105 1.359 1
94 1 16 1 "RMS(OBS, PRED)" H 108 0.640 1
95 1 16 1 "RMS(OBS, PRED)" HA 126 0.447 1
96 1 16 1 "RMS(OBS, PRED)" N 108 3.311 1
97 1 17 1 "RMS(OBS, PRED)" C 102 1.198 1
98 1 17 1 "RMS(OBS, PRED)" CA 116 1.168 1
99 1 17 1 "RMS(OBS, PRED)" CB 105 1.298 1
100 1 17 1 "RMS(OBS, PRED)" H 108 0.688 1
101 1 17 1 "RMS(OBS, PRED)" HA 126 0.437 1
102 1 17 1 "RMS(OBS, PRED)" N 108 3.349 1
103 1 18 1 "RMS(OBS, PRED)" C 102 1.266 1
104 1 18 1 "RMS(OBS, PRED)" CA 116 1.175 1
105 1 18 1 "RMS(OBS, PRED)" CB 105 1.439 1
106 1 18 1 "RMS(OBS, PRED)" H 108 0.684 1
107 1 18 1 "RMS(OBS, PRED)" HA 126 0.426 1
108 1 18 1 "RMS(OBS, PRED)" N 108 3.189 1
109 1 19 1 "RMS(OBS, PRED)" C 102 1.254 1
110 1 19 1 "RMS(OBS, PRED)" CA 116 1.253 1
111 1 19 1 "RMS(OBS, PRED)" CB 105 1.341 1
112 1 19 1 "RMS(OBS, PRED)" H 108 0.685 1
113 1 19 1 "RMS(OBS, PRED)" HA 126 0.458 1
114 1 19 1 "RMS(OBS, PRED)" N 108 3.098 1
115 1 20 1 "RMS(OBS, PRED)" C 102 1.218 1
116 1 20 1 "RMS(OBS, PRED)" CA 116 1.297 1
117 1 20 1 "RMS(OBS, PRED)" CB 105 1.434 1
118 1 20 1 "RMS(OBS, PRED)" H 108 0.648 1
119 1 20 1 "RMS(OBS, PRED)" HA 126 0.430 1
120 1 20 1 "RMS(OBS, PRED)" N 108 3.273 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 16 . 1 1 A 24 24 THR H H 2 8.350 7.769 0.581 2
1 17 . 1 1 A 24 24 THR HA H 2 4.470 4.693 -0.223 2
1 22 . 1 1 A 24 24 THR CA C 2 61.890 62.197 -0.307 2
1 23 . 1 1 A 24 24 THR CB C 2 69.630 71.066 -1.436 2
1 25 . 1 1 A 24 24 THR N N 2 117.720 113.822 3.898 2
1 26 . 1 1 A 25 25 HIS H H 3 8.630 8.887 -0.257 2
1 27 . 1 1 A 25 25 HIS HA H 3 5.200 5.031 0.169 2
1 30 . 1 1 A 25 25 HIS CA C 3 51.620 53.554 -1.934 2
1 31 . 1 1 A 25 25 HIS CB C 3 33.320 31.288 2.032 2
1 32 . 1 1 A 25 25 HIS N N 3 124.890 124.204 0.686 2
1 33 . 1 1 A 26 26 PRO HA H 4 4.170 4.737 -0.567 2
1 40 . 1 1 A 26 26 PRO C C 4 175.740 176.601 -0.861 2
1 41 . 1 1 A 26 26 PRO CA C 4 62.740 62.331 0.409 2
1 42 . 1 1 A 26 26 PRO CB C 4 31.460 30.552 0.908 2
1 45 . 1 1 A 27 27 ASP H H 5 8.270 8.489 -0.219 2
1 46 . 1 1 A 27 27 ASP HA H 5 4.810 4.731 0.079 2
1 49 . 1 1 A 27 27 ASP C C 5 175.400 175.560 -0.160 2
1 50 . 1 1 A 27 27 ASP CA C 5 53.310 54.001 -0.691 2
1 51 . 1 1 A 27 27 ASP CB C 5 42.390 40.655 1.735 2
1 52 . 1 1 A 27 27 ASP N N 5 119.440 121.150 -1.710 2
1 53 . 1 1 A 28 28 PHE H H 6 7.280 7.801 -0.521 2
1 54 . 1 1 A 28 28 PHE HA H 6 5.440 5.144 0.296 2
1 61 . 1 1 A 28 28 PHE C C 6 174.180 173.410 0.770 2
1 62 . 1 1 A 28 28 PHE CA C 6 54.590 56.116 -1.526 2
1 63 . 1 1 A 28 28 PHE CB C 6 42.310 42.149 0.161 2
1 66 . 1 1 A 28 28 PHE N N 6 118.410 120.352 -1.942 2
1 67 . 1 1 A 29 29 THR H H 7 8.500 9.080 -0.580 2
1 68 . 1 1 A 29 29 THR HA H 7 4.800 5.080 -0.280 2
1 73 . 1 1 A 29 29 THR C C 7 172.280 172.848 -0.568 2
1 74 . 1 1 A 29 29 THR CA C 7 62.550 59.907 2.643 2
1 75 . 1 1 A 29 29 THR CB C 7 70.420 71.531 -1.111 2
1 77 . 1 1 A 29 29 THR N N 7 123.070 121.623 1.447 2
1 78 . 1 1 A 30 30 ILE H H 8 9.270 8.989 0.281 2
1 79 . 1 1 A 30 30 ILE HA H 8 4.680 4.816 -0.136 2
1 89 . 1 1 A 30 30 ILE C C 8 173.970 174.738 -0.768 2
1 90 . 1 1 A 30 30 ILE CA C 8 59.220 59.751 -0.531 2
1 91 . 1 1 A 30 30 ILE CB C 8 40.210 41.242 -1.032 2
1 95 . 1 1 A 30 30 ILE N N 8 126.920 127.534 -0.614 2
1 96 . 1 1 A 31 31 LEU H H 9 8.760 8.735 0.025 2
1 97 . 1 1 A 31 31 LEU HA H 9 4.330 4.855 -0.525 2
1 107 . 1 1 A 31 31 LEU C C 9 176.520 175.582 0.938 2
1 108 . 1 1 A 31 31 LEU CA C 9 52.960 53.587 -0.627 2
1 109 . 1 1 A 31 31 LEU CB C 9 41.820 43.368 -1.548 2
1 113 . 1 1 A 31 31 LEU N N 9 126.000 127.153 -1.153 2
1 114 . 1 1 A 32 32 TYR H H 10 8.190 8.899 -0.709 2
1 115 . 1 1 A 32 32 TYR HA H 10 5.980 5.289 0.691 2
1 118 . 1 1 A 32 32 TYR C C 10 177.720 175.228 2.492 2
1 119 . 1 1 A 32 32 TYR CA C 10 53.120 56.807 -3.687 2
1 120 . 1 1 A 32 32 TYR CB C 10 36.560 39.552 -2.992 2
1 121 . 1 1 A 32 32 TYR N N 10 122.130 123.483 -1.353 2
1 122 . 1 1 A 33 33 VAL H H 11 8.470 8.765 -0.295 2
1 123 . 1 1 A 33 33 VAL HA H 11 4.990 5.050 -0.060 2
1 131 . 1 1 A 33 33 VAL C C 11 176.030 175.273 0.757 2
1 132 . 1 1 A 33 33 VAL CA C 11 58.240 59.203 -0.963 2
1 133 . 1 1 A 33 33 VAL CB C 11 35.090 34.880 0.210 2
1 136 . 1 1 A 33 33 VAL N N 11 113.820 120.265 -6.445 2
1 137 . 1 1 A 34 34 ASP H H 12 9.750 8.963 0.787 2
1 138 . 1 1 A 34 34 ASP HA H 12 4.550 4.786 -0.236 2
1 141 . 1 1 A 34 34 ASP C C 12 177.230 175.583 1.647 2
1 142 . 1 1 A 34 34 ASP CA C 12 58.000 55.423 2.577 2
1 143 . 1 1 A 34 34 ASP CB C 12 42.780 41.948 0.832 2
1 144 . 1 1 A 34 34 ASP N N 12 124.140 121.448 2.692 2
1 145 . 1 1 A 35 35 ASN H H 13 9.250 7.849 1.401 2
1 146 . 1 1 A 35 35 ASN HA H 13 5.120 4.986 0.134 2
1 151 . 1 1 A 35 35 ASN CA C 13 50.610 50.243 0.367 2
1 152 . 1 1 A 35 35 ASN CB C 13 39.920 39.173 0.747 2
1 153 . 1 1 A 35 35 ASN N N 13 114.460 117.243 -2.783 2
1 155 . 1 1 A 37 37 PRO HA H 15 4.350 4.271 0.079 2
1 162 . 1 1 A 37 37 PRO C C 15 179.310 179.336 -0.026 2
1 163 . 1 1 A 37 37 PRO CA C 15 67.480 66.593 0.887 2
1 164 . 1 1 A 37 37 PRO CB C 15 31.340 30.799 0.541 2
1 167 . 1 1 A 38 38 ALA H H 16 7.740 8.223 -0.483 2
1 168 . 1 1 A 38 38 ALA HA H 16 4.310 4.113 0.197 2
1 172 . 1 1 A 38 38 ALA C C 16 182.490 180.044 2.446 2
1 173 . 1 1 A 38 38 ALA CA C 16 55.160 55.252 -0.092 2
1 174 . 1 1 A 38 38 ALA CB C 16 18.360 18.350 0.010 2
1 175 . 1 1 A 38 38 ALA N N 16 121.510 119.403 2.107 2
1 176 . 1 1 A 39 39 SER H H 17 8.770 7.845 0.925 2
1 177 . 1 1 A 39 39 SER HA H 17 4.190 4.359 -0.169 2
1 180 . 1 1 A 39 39 SER C C 17 175.610 177.308 -1.697 2
1 181 . 1 1 A 39 39 SER CA C 17 64.260 61.669 2.591 2
1 182 . 1 1 A 39 39 SER CB C 17 62.790 62.993 -0.203 2
1 183 . 1 1 A 39 39 SER N N 17 117.520 113.664 3.856 2
1 184 . 1 1 A 40 40 THR H H 18 9.310 7.909 1.401 2
1 185 . 1 1 A 40 40 THR HA H 18 4.480 4.257 0.223 2
1 190 . 1 1 A 40 40 THR C C 18 175.590 177.147 -1.557 2
1 191 . 1 1 A 40 40 THR CA C 18 68.130 66.828 1.302 2
1 192 . 1 1 A 40 40 THR CB C 18 68.480 68.499 -0.019 2
1 194 . 1 1 A 40 40 THR N N 18 120.600 117.313 3.287 2
1 195 . 1 1 A 41 41 GLN H H 19 7.610 7.947 -0.337 2
1 196 . 1 1 A 41 41 GLN HA H 19 4.080 4.109 -0.029 2
1 203 . 1 1 A 41 41 GLN C C 19 178.110 178.156 -0.046 2
1 204 . 1 1 A 41 41 GLN CA C 19 59.170 59.002 0.168 2
1 205 . 1 1 A 41 41 GLN CB C 19 28.170 28.429 -0.259 2
1 207 . 1 1 A 41 41 GLN N N 19 120.130 120.404 -0.274 2
1 209 . 1 1 A 42 42 PHE H H 20 7.710 7.886 -0.176 2
1 210 . 1 1 A 42 42 PHE HA H 20 4.080 4.183 -0.103 2
1 218 . 1 1 A 42 42 PHE C C 20 177.460 177.037 0.423 2
1 219 . 1 1 A 42 42 PHE CA C 20 61.760 61.379 0.381 2
1 220 . 1 1 A 42 42 PHE CB C 20 38.590 38.901 -0.311 2
1 224 . 1 1 A 42 42 PHE N N 20 120.560 122.325 -1.765 2
1 225 . 1 1 A 43 43 TYR H H 21 8.890 8.206 0.684 2
1 226 . 1 1 A 43 43 TYR HA H 21 3.700 4.162 -0.462 2
1 233 . 1 1 A 43 43 TYR C C 21 177.640 178.140 -0.500 2
1 234 . 1 1 A 43 43 TYR CA C 21 64.290 61.526 2.764 2
1 235 . 1 1 A 43 43 TYR CB C 21 38.110 37.440 0.670 2
1 238 . 1 1 A 43 43 TYR N N 21 118.420 117.986 0.434 2
1 239 . 1 1 A 44 44 LYS H H 22 8.860 8.076 0.784 2
1 240 . 1 1 A 44 44 LYS HA H 22 4.630 3.862 0.768 2
1 249 . 1 1 A 44 44 LYS C C 22 179.780 179.025 0.755 2
1 250 . 1 1 A 44 44 LYS CA C 22 59.630 59.588 0.042 2
1 251 . 1 1 A 44 44 LYS CB C 22 33.210 32.425 0.785 2
1 255 . 1 1 A 44 44 LYS N N 22 122.200 120.109 2.091 2
1 256 . 1 1 A 45 45 ALA H H 23 7.180 7.439 -0.259 2
1 257 . 1 1 A 45 45 ALA HA H 23 4.040 4.011 0.029 2
1 261 . 1 1 A 45 45 ALA C C 23 179.130 180.045 -0.915 2
1 262 . 1 1 A 45 45 ALA CA C 23 54.350 54.679 -0.329 2
1 263 . 1 1 A 45 45 ALA CB C 23 18.030 18.256 -0.226 2
1 264 . 1 1 A 45 45 ALA N N 23 120.710 121.715 -1.005 2
1 265 . 1 1 A 46 46 LEU H H 24 7.510 7.644 -0.134 2
1 266 . 1 1 A 46 46 LEU HA H 24 3.550 3.850 -0.300 2
1 276 . 1 1 A 46 46 LEU C C 24 178.680 178.504 0.176 2
1 277 . 1 1 A 46 46 LEU CA C 24 57.910 57.484 0.426 2
1 278 . 1 1 A 46 46 LEU CB C 24 43.950 41.201 2.749 2
1 282 . 1 1 A 46 46 LEU N N 24 118.650 120.055 -1.405 2
1 283 . 1 1 A 47 47 LEU H H 25 8.800 7.614 1.186 2
1 284 . 1 1 A 47 47 LEU HA H 25 4.480 4.461 0.019 2
1 294 . 1 1 A 47 47 LEU C C 25 178.960 177.364 1.596 2
1 295 . 1 1 A 47 47 LEU CA C 25 55.010 55.862 -0.852 2
1 296 . 1 1 A 47 47 LEU CB C 25 42.500 42.848 -0.348 2
1 300 . 1 1 A 47 47 LEU N N 25 112.540 117.561 -5.021 2
1 301 . 1 1 A 48 48 GLY H H 26 7.810 8.107 -0.297 2
1 302 . 1 1 A 48 48 GLY HA2 H 26 4.030 3.932 0.098 2
1 303 . 1 1 A 48 48 GLY HA3 H 26 3.900 3.957 -0.057 2
1 304 . 1 1 A 48 48 GLY C C 26 173.560 173.904 -0.344 2
1 305 . 1 1 A 48 48 GLY CA C 26 46.810 45.878 0.932 2
1 306 . 1 1 A 48 48 GLY N N 26 107.650 106.674 0.976 2
1 307 . 1 1 A 49 49 VAL H H 27 7.100 7.300 -0.200 2
1 308 . 1 1 A 49 49 VAL HA H 27 4.700 4.813 -0.113 2
1 316 . 1 1 A 49 49 VAL C C 27 172.980 173.851 -0.871 2
1 317 . 1 1 A 49 49 VAL CA C 27 58.680 59.077 -0.397 2
1 318 . 1 1 A 49 49 VAL CB C 27 36.090 35.925 0.165 2
1 321 . 1 1 A 49 49 VAL N N 27 110.770 115.203 -4.433 2
1 322 . 1 1 A 50 50 ASP H H 28 8.100 8.866 -0.766 2
1 323 . 1 1 A 50 50 ASP HA H 28 4.930 5.218 -0.288 2
1 326 . 1 1 A 50 50 ASP CA C 28 52.550 51.196 1.354 2
1 327 . 1 1 A 50 50 ASP CB C 28 40.520 43.743 -3.223 2
1 328 . 1 1 A 50 50 ASP N N 28 119.760 119.818 -0.058 2
1 329 . 1 1 A 51 51 PRO HA H 29 3.700 4.825 -1.125 2
1 336 . 1 1 A 51 51 PRO C C 29 176.580 177.804 -1.224 2
1 337 . 1 1 A 51 51 PRO CA C 29 62.900 62.877 0.023 2
1 338 . 1 1 A 51 51 PRO CB C 29 30.550 31.791 -1.241 2
1 341 . 1 1 A 52 52 VAL H H 30 8.340 8.541 -0.201 2
1 342 . 1 1 A 52 52 VAL HA H 30 4.080 4.011 0.069 2
1 350 . 1 1 A 52 52 VAL C C 30 176.190 175.679 0.511 2
1 351 . 1 1 A 52 52 VAL CA C 30 62.790 64.125 -1.335 2
1 352 . 1 1 A 52 52 VAL CB C 30 32.280 32.411 -0.131 2
1 355 . 1 1 A 52 52 VAL N N 30 117.320 124.784 -7.464 2
1 356 . 1 1 A 53 53 GLU H H 31 7.170 7.691 -0.521 2
1 357 . 1 1 A 53 53 GLU HA H 31 4.580 4.829 -0.249 2
1 362 . 1 1 A 53 53 GLU C C 31 174.940 175.271 -0.331 2
1 363 . 1 1 A 53 53 GLU CA C 31 55.330 55.076 0.254 2
1 364 . 1 1 A 53 53 GLU CB C 31 33.370 31.935 1.435 2
1 366 . 1 1 A 53 53 GLU N N 31 118.180 120.142 -1.962 2
1 367 . 1 1 A 54 54 SER H H 32 8.650 8.805 -0.155 2
1 368 . 1 1 A 54 54 SER HA H 32 5.130 5.361 -0.231 2
1 371 . 1 1 A 54 54 SER C C 32 171.990 173.258 -1.268 2
1 372 . 1 1 A 54 54 SER CA C 32 57.940 56.803 1.137 2
1 373 . 1 1 A 54 54 SER CB C 32 64.720 65.698 -0.978 2
1 374 . 1 1 A 54 54 SER N N 32 117.210 118.660 -1.450 2
1 375 . 1 1 A 55 55 SER H H 33 8.760 8.690 0.070 2
1 376 . 1 1 A 55 55 SER N N 33 124.420 118.023 6.397 2
1 377 . 1 1 A 56 56 PRO HA H 34 4.320 4.426 -0.106 2
1 382 . 1 1 A 56 56 PRO C C 34 177.290 177.165 0.125 2
1 383 . 1 1 A 56 56 PRO CA C 34 65.750 64.831 0.919 2
1 384 . 1 1 A 56 56 PRO CB C 34 32.490 31.958 0.532 2
1 386 . 1 1 A 57 57 THR H H 35 7.810 8.139 -0.329 2
1 387 . 1 1 A 57 57 THR HA H 35 4.630 4.803 -0.173 2
1 392 . 1 1 A 57 57 THR C C 35 174.080 173.861 0.219 2
1 393 . 1 1 A 57 57 THR CA C 35 61.860 61.400 0.460 2
1 394 . 1 1 A 57 57 THR CB C 35 70.940 70.302 0.638 2
1 396 . 1 1 A 57 57 THR N N 35 101.710 110.483 -8.773 2
1 397 . 1 1 A 58 58 PHE H H 36 7.670 7.450 0.220 2
1 398 . 1 1 A 58 58 PHE HA H 36 5.780 4.852 0.928 2
1 405 . 1 1 A 58 58 PHE CA C 36 57.820 57.947 -0.127 2
1 406 . 1 1 A 58 58 PHE CB C 36 43.010 42.420 0.590 2
1 409 . 1 1 A 58 58 PHE N N 36 124.370 121.098 3.272 2
1 410 . 1 1 A 59 59 SER H H 37 8.070 7.933 0.137 2
1 411 . 1 1 A 59 59 SER HA H 37 4.890 5.129 -0.239 2
1 414 . 1 1 A 59 59 SER C C 37 170.010 172.374 -2.364 2
1 415 . 1 1 A 59 59 SER CA C 37 56.660 56.885 -0.225 2
1 416 . 1 1 A 59 59 SER CB C 37 67.490 65.847 1.643 2
1 417 . 1 1 A 59 59 SER N N 37 122.930 120.660 2.270 2
1 418 . 1 1 A 60 60 LEU H H 38 8.140 8.488 -0.348 2
1 419 . 1 1 A 60 60 LEU HA H 38 4.810 4.546 0.264 2
1 429 . 1 1 A 60 60 LEU C C 38 174.000 174.584 -0.584 2
1 430 . 1 1 A 60 60 LEU CA C 38 53.750 54.066 -0.316 2
1 431 . 1 1 A 60 60 LEU CB C 38 47.250 45.656 1.594 2
1 435 . 1 1 A 60 60 LEU N N 38 122.030 124.590 -2.560 2
1 436 . 1 1 A 61 61 PHE H H 39 9.460 8.219 1.241 2
1 437 . 1 1 A 61 61 PHE HA H 39 4.580 5.640 -1.060 2
1 444 . 1 1 A 61 61 PHE C C 39 174.390 173.295 1.095 2
1 445 . 1 1 A 61 61 PHE CA C 39 57.180 55.251 1.929 2
1 446 . 1 1 A 61 61 PHE CB C 39 41.570 42.451 -0.881 2
1 449 . 1 1 A 61 61 PHE N N 39 124.820 122.850 1.970 2
1 450 . 1 1 A 62 62 VAL H H 40 8.640 9.027 -0.387 2
1 451 . 1 1 A 62 62 VAL HA H 40 4.260 4.698 -0.438 2
1 459 . 1 1 A 62 62 VAL C C 40 175.380 174.943 0.437 2
1 460 . 1 1 A 62 62 VAL CA C 40 62.520 60.854 1.666 2
1 461 . 1 1 A 62 62 VAL CB C 40 32.470 34.009 -1.539 2
1 464 . 1 1 A 62 62 VAL N N 40 122.650 122.678 -0.028 2
1 465 . 1 1 A 63 63 LEU H H 41 8.710 8.633 0.076 2
1 466 . 1 1 A 63 63 LEU HA H 41 4.590 4.713 -0.123 2
1 476 . 1 1 A 63 63 LEU CA C 41 53.560 53.608 -0.048 2
1 477 . 1 1 A 63 63 LEU CB C 41 41.600 42.783 -1.183 2
1 481 . 1 1 A 63 63 LEU N N 41 126.170 127.814 -1.644 2
1 482 . 1 1 A 64 64 ALA HA H 42 4.040 4.093 -0.053 2
1 486 . 1 1 A 64 64 ALA CA C 42 55.050 54.365 0.685 2
1 487 . 1 1 A 64 64 ALA CB C 42 18.580 18.531 0.049 2
1 488 . 1 1 A 65 65 ASN H H 43 7.680 7.895 -0.215 2
1 489 . 1 1 A 65 65 ASN HA H 43 4.520 4.711 -0.191 2
1 494 . 1 1 A 65 65 ASN C C 43 175.860 175.661 0.199 2
1 495 . 1 1 A 65 65 ASN CA C 43 52.530 53.346 -0.816 2
1 496 . 1 1 A 65 65 ASN CB C 43 37.800 38.732 -0.932 2
1 497 . 1 1 A 65 65 ASN N N 43 112.130 114.789 -2.659 2
1 499 . 1 1 A 66 66 GLY H H 44 8.070 8.044 0.026 2
1 500 . 1 1 A 66 66 GLY HA2 H 44 4.330 3.929 0.401 2
1 501 . 1 1 A 66 66 GLY HA3 H 44 3.480 3.933 -0.453 2
1 502 . 1 1 A 66 66 GLY C C 44 174.260 174.056 0.204 2
1 503 . 1 1 A 66 66 GLY CA C 44 44.930 45.252 -0.322 2
1 504 . 1 1 A 66 66 GLY N N 44 107.650 107.504 0.146 2
1 505 . 1 1 A 67 67 MET H H 45 7.900 7.778 0.122 2
1 506 . 1 1 A 67 67 MET HA H 45 4.420 4.883 -0.463 2
1 514 . 1 1 A 67 67 MET CA C 45 55.520 53.928 1.592 2
1 515 . 1 1 A 67 67 MET CB C 45 33.630 35.384 -1.754 2
1 518 . 1 1 A 67 67 MET N N 45 121.850 117.647 4.203 2
1 519 . 1 1 A 68 68 LYS HA H 46 5.040 5.080 -0.040 2
1 528 . 1 1 A 68 68 LYS C C 46 174.600 174.226 0.374 2
1 529 . 1 1 A 68 68 LYS CA C 46 55.410 54.990 0.420 2
1 530 . 1 1 A 68 68 LYS CB C 46 34.460 35.928 -1.468 2
1 534 . 1 1 A 69 69 LEU H H 47 8.830 8.616 0.214 2
1 535 . 1 1 A 69 69 LEU HA H 47 5.450 5.461 -0.011 2
1 545 . 1 1 A 69 69 LEU C C 47 174.880 175.217 -0.337 2
1 546 . 1 1 A 69 69 LEU CA C 47 52.980 53.534 -0.554 2
1 547 . 1 1 A 69 69 LEU CB C 47 46.560 45.370 1.190 2
1 551 . 1 1 A 69 69 LEU N N 47 124.960 126.660 -1.700 2
1 552 . 1 1 A 70 70 GLY H H 48 9.580 9.231 0.349 2
1 553 . 1 1 A 70 70 GLY HA2 H 48 5.220 3.914 1.306 2
1 554 . 1 1 A 70 70 GLY HA3 H 48 3.090 4.212 -1.122 2
1 555 . 1 1 A 70 70 GLY C C 48 170.590 171.846 -1.256 2
1 556 . 1 1 A 70 70 GLY CA C 48 43.370 43.986 -0.616 2
1 557 . 1 1 A 70 70 GLY N N 48 113.940 113.616 0.324 2
1 558 . 1 1 A 71 71 LEU H H 49 8.250 8.066 0.184 2
1 559 . 1 1 A 71 71 LEU HA H 49 5.150 4.957 0.194 2
1 569 . 1 1 A 71 71 LEU C C 49 173.920 174.262 -0.342 2
1 570 . 1 1 A 71 71 LEU CA C 49 52.770 53.602 -0.832 2
1 571 . 1 1 A 71 71 LEU CB C 49 43.100 44.322 -1.222 2
1 575 . 1 1 A 71 71 LEU N N 49 122.270 121.206 1.064 2
1 576 . 1 1 A 72 72 TRP H H 50 8.960 8.799 0.161 2
1 577 . 1 1 A 72 72 TRP HA H 50 5.860 5.543 0.317 2
1 584 . 1 1 A 72 72 TRP C C 50 175.740 175.274 0.466 2
1 585 . 1 1 A 72 72 TRP CA C 50 53.170 55.294 -2.124 2
1 586 . 1 1 A 72 72 TRP CB C 50 34.990 32.267 2.723 2
1 590 . 1 1 A 72 72 TRP N N 50 125.010 128.609 -3.599 2
1 592 . 1 1 A 73 73 SER H H 51 9.010 8.934 0.075 2
1 593 . 1 1 A 73 73 SER HA H 51 4.570 4.940 -0.370 2
1 596 . 1 1 A 73 73 SER C C 51 176.240 175.816 0.424 2
1 597 . 1 1 A 73 73 SER CA C 51 58.490 59.080 -0.590 2
1 598 . 1 1 A 73 73 SER CB C 51 63.770 63.496 0.274 2
1 599 . 1 1 A 73 73 SER N N 51 120.380 123.240 -2.860 2
1 600 . 1 1 A 74 74 ARG H H 52 9.420 8.760 0.660 2
1 601 . 1 1 A 74 74 ARG HA H 52 3.460 3.877 -0.417 2
1 608 . 1 1 A 74 74 ARG C C 52 175.610 176.708 -1.098 2
1 609 . 1 1 A 74 74 ARG CA C 52 57.590 58.008 -0.418 2
1 610 . 1 1 A 74 74 ARG CB C 52 28.900 29.526 -0.626 2
1 613 . 1 1 A 74 74 ARG N N 52 128.770 124.958 3.812 2
1 614 . 1 1 A 75 75 HIS H H 53 7.910 8.003 -0.093 2
1 615 . 1 1 A 75 75 HIS HA H 53 4.310 4.509 -0.199 2
1 619 . 1 1 A 75 75 HIS C C 53 176.610 175.465 1.145 2
1 620 . 1 1 A 75 75 HIS CA C 53 57.190 57.183 0.007 2
1 621 . 1 1 A 75 75 HIS CB C 53 31.260 29.451 1.809 2
1 623 . 1 1 A 75 75 HIS N N 53 117.320 116.785 0.535 2
1 624 . 1 1 A 76 76 THR H H 54 7.360 7.517 -0.157 2
1 625 . 1 1 A 76 76 THR HA H 54 4.540 4.458 0.082 2
1 630 . 1 1 A 76 76 THR C C 54 175.120 173.926 1.194 2
1 631 . 1 1 A 76 76 THR CA C 54 61.840 61.215 0.625 2
1 632 . 1 1 A 76 76 THR CB C 54 69.680 69.993 -0.313 2
1 634 . 1 1 A 76 76 THR N N 54 107.350 113.593 -6.243 2
1 635 . 1 1 A 77 77 VAL H H 55 6.630 7.367 -0.737 2
1 636 . 1 1 A 77 77 VAL HA H 55 2.700 3.333 -0.633 2
1 644 . 1 1 A 77 77 VAL C C 55 173.920 174.932 -1.012 2
1 645 . 1 1 A 77 77 VAL CA C 55 63.500 62.005 1.495 2
1 646 . 1 1 A 77 77 VAL CB C 55 31.270 32.177 -0.907 2
1 649 . 1 1 A 77 77 VAL N N 55 123.760 122.477 1.283 2
1 650 . 1 1 A 78 78 GLU H H 56 6.010 8.293 -2.283 2
1 651 . 1 1 A 78 78 GLU HA H 56 4.160 4.784 -0.624 2
1 656 . 1 1 A 78 78 GLU CA C 56 53.120 52.499 0.621 2
1 657 . 1 1 A 78 78 GLU CB C 56 32.240 31.266 0.974 2
1 659 . 1 1 A 78 78 GLU N N 56 124.820 127.600 -2.780 2
1 660 . 1 1 A 79 79 PRO HA H 57 4.620 4.555 0.065 2
1 667 . 1 1 A 79 79 PRO C C 57 176.190 176.517 -0.327 2
1 668 . 1 1 A 79 79 PRO CA C 57 61.890 62.463 -0.573 2
1 669 . 1 1 A 79 79 PRO CB C 57 33.620 32.113 1.507 2
1 672 . 1 1 A 80 80 LYS H H 58 8.340 8.260 0.080 2
1 673 . 1 1 A 80 80 LYS HA H 58 3.880 4.268 -0.388 2
1 682 . 1 1 A 80 80 LYS C C 58 177.100 175.876 1.224 2
1 683 . 1 1 A 80 80 LYS CA C 58 57.610 56.785 0.825 2
1 684 . 1 1 A 80 80 LYS CB C 58 32.400 32.512 -0.112 2
1 688 . 1 1 A 80 80 LYS N N 58 121.510 122.027 -0.517 2
1 689 . 1 1 A 81 81 ALA H H 59 8.430 8.595 -0.165 2
1 690 . 1 1 A 81 81 ALA HA H 59 4.870 4.966 -0.096 2
1 694 . 1 1 A 81 81 ALA C C 59 177.460 175.769 1.691 2
1 695 . 1 1 A 81 81 ALA CA C 59 51.020 50.991 0.029 2
1 696 . 1 1 A 81 81 ALA CB C 59 22.910 21.427 1.483 2
1 697 . 1 1 A 81 81 ALA N N 59 129.030 128.308 0.722 2
1 698 . 1 1 A 82 82 SER H H 60 9.680 8.839 0.840 2
1 699 . 1 1 A 82 82 SER HA H 60 4.510 4.938 -0.428 2
1 702 . 1 1 A 82 82 SER C C 60 172.960 173.347 -0.387 2
1 703 . 1 1 A 82 82 SER CA C 60 58.350 57.530 0.820 2
1 704 . 1 1 A 82 82 SER CB C 60 65.150 63.050 2.100 2
1 705 . 1 1 A 82 82 SER N N 60 115.930 118.990 -3.060 2
1 706 . 1 1 A 83 83 VAL H H 61 7.450 8.403 -0.953 2
1 707 . 1 1 A 83 83 VAL HA H 61 4.260 4.852 -0.592 2
1 715 . 1 1 A 83 83 VAL CA C 61 60.940 60.251 0.689 2
1 716 . 1 1 A 83 83 VAL CB C 61 35.360 35.173 0.187 2
1 719 . 1 1 A 83 83 VAL N N 61 121.550 123.744 -2.194 2
1 720 . 1 1 A 84 84 THR H H 62 7.850 8.795 -0.945 2
1 721 . 1 1 A 84 84 THR HA H 62 4.750 5.158 -0.408 2
1 726 . 1 1 A 84 84 THR C C 62 174.040 173.613 0.427 2
1 727 . 1 1 A 84 84 THR CA C 62 59.370 60.196 -0.826 2
1 728 . 1 1 A 84 84 THR CB C 62 68.800 71.511 -2.711 2
1 730 . 1 1 A 84 84 THR N N 62 111.040 117.118 -6.078 2
1 731 . 1 1 A 85 85 GLY H H 63 7.950 8.479 -0.529 2
1 732 . 1 1 A 85 85 GLY HA2 H 63 3.480 4.037 -0.556 2
1 733 . 1 1 A 85 85 GLY HA3 H 63 2.950 4.052 -1.102 2
1 734 . 1 1 A 85 85 GLY C C 63 174.140 174.198 -0.058 2
1 735 . 1 1 A 85 85 GLY CA C 63 45.490 45.840 -0.350 2
1 736 . 1 1 A 85 85 GLY N N 63 109.700 110.564 -0.865 2
1 737 . 1 1 A 86 86 GLY H H 64 8.530 8.027 0.503 2
1 738 . 1 1 A 86 86 GLY HA2 H 64 4.550 4.090 0.460 2
1 739 . 1 1 A 86 86 GLY HA3 H 64 3.700 4.111 -0.411 2
1 740 . 1 1 A 86 86 GLY C C 64 174.700 173.937 0.763 2
1 741 . 1 1 A 86 86 GLY CA C 64 45.600 45.706 -0.106 2
1 742 . 1 1 A 86 86 GLY N N 64 107.420 107.930 -0.510 2
1 743 . 1 1 A 87 87 GLY H H 65 9.280 8.270 1.010 2
1 744 . 1 1 A 87 87 GLY HA2 H 65 4.860 4.082 0.778 2
1 745 . 1 1 A 87 87 GLY HA3 H 65 4.160 4.121 0.039 2
1 746 . 1 1 A 87 87 GLY C C 65 172.640 173.975 -1.335 2
1 747 . 1 1 A 87 87 GLY CA C 65 45.630 45.325 0.305 2
1 748 . 1 1 A 87 87 GLY N N 65 111.380 108.379 3.000 2
1 749 . 1 1 A 88 88 GLY H H 66 6.610 8.287 -1.677 2
1 750 . 1 1 A 88 88 GLY HA2 H 66 4.020 4.074 -0.054 2
1 751 . 1 1 A 88 88 GLY HA3 H 66 2.360 4.095 -1.735 2
1 752 . 1 1 A 88 88 GLY C C 66 172.250 173.035 -0.785 2
1 753 . 1 1 A 88 88 GLY CA C 66 43.910 45.178 -1.268 2
1 754 . 1 1 A 88 88 GLY N N 66 105.700 109.058 -3.358 2
1 755 . 1 1 A 89 89 GLU H H 67 9.230 8.632 0.598 2
1 756 . 1 1 A 89 89 GLU HA H 67 5.100 5.200 -0.100 2
1 761 . 1 1 A 89 89 GLU C C 67 175.770 174.811 0.959 2
1 762 . 1 1 A 89 89 GLU CA C 67 54.540 55.096 -0.556 2
1 763 . 1 1 A 89 89 GLU CB C 67 34.710 32.293 2.417 2
1 765 . 1 1 A 89 89 GLU N N 67 117.210 120.931 -3.721 2
1 766 . 1 1 A 90 90 LEU H H 68 8.470 8.985 -0.515 2
1 767 . 1 1 A 90 90 LEU HA H 68 5.050 5.021 0.029 2
1 777 . 1 1 A 90 90 LEU C C 68 175.460 174.989 0.471 2
1 778 . 1 1 A 90 90 LEU CA C 68 54.160 53.868 0.292 2
1 779 . 1 1 A 90 90 LEU CB C 68 44.250 44.349 -0.099 2
1 783 . 1 1 A 90 90 LEU N N 68 120.420 124.923 -4.503 2
1 784 . 1 1 A 91 91 ALA H H 69 8.880 8.899 -0.019 2
1 785 . 1 1 A 91 91 ALA HA H 69 5.990 5.190 0.800 2
1 789 . 1 1 A 91 91 ALA C C 69 175.300 176.544 -1.244 2
1 790 . 1 1 A 91 91 ALA CA C 69 50.340 50.713 -0.373 2
1 791 . 1 1 A 91 91 ALA CB C 69 21.140 20.089 1.051 2
1 792 . 1 1 A 91 91 ALA N N 69 124.720 130.442 -5.722 2
1 793 . 1 1 A 92 92 PHE H H 70 10.090 9.659 0.431 2
1 794 . 1 1 A 92 92 PHE HA H 70 4.700 5.120 -0.420 2
1 802 . 1 1 A 92 92 PHE CA C 70 56.580 57.212 -0.632 2
1 803 . 1 1 A 92 92 PHE CB C 70 40.490 39.851 0.639 2
1 807 . 1 1 A 92 92 PHE N N 70 122.920 123.928 -1.008 2
1 808 . 1 1 A 93 93 ARG H H 71 9.030 9.066 -0.036 2
1 809 . 1 1 A 93 93 ARG HA H 71 4.460 4.548 -0.088 2
1 816 . 1 1 A 93 93 ARG C C 71 176.910 175.946 0.964 2
1 817 . 1 1 A 93 93 ARG CA C 71 55.080 55.976 -0.896 2
1 818 . 1 1 A 93 93 ARG CB C 71 31.950 31.412 0.538 2
1 821 . 1 1 A 93 93 ARG N N 71 125.390 124.701 0.689 2
1 822 . 1 1 A 94 94 VAL H H 72 8.470 8.246 0.224 2
1 823 . 1 1 A 94 94 VAL HA H 72 4.820 4.702 0.118 2
1 831 . 1 1 A 94 94 VAL C C 72 176.320 175.981 0.339 2
1 832 . 1 1 A 94 94 VAL CA C 72 59.190 58.898 0.292 2
1 833 . 1 1 A 94 94 VAL CB C 72 32.550 34.825 -2.275 2
1 836 . 1 1 A 94 94 VAL N N 72 119.430 119.644 -0.214 2
1 837 . 1 1 A 95 95 GLU H H 73 8.160 8.881 -0.721 2
1 838 . 1 1 A 95 95 GLU HA H 73 3.940 4.186 -0.246 2
1 843 . 1 1 A 95 95 GLU C C 73 176.560 176.509 0.051 2
1 844 . 1 1 A 95 95 GLU CA C 73 59.620 58.549 1.071 2
1 845 . 1 1 A 95 95 GLU CB C 73 31.400 29.608 1.792 2
1 847 . 1 1 A 95 95 GLU N N 73 116.510 120.540 -4.030 2
1 848 . 1 1 A 96 96 ASN H H 74 7.240 7.800 -0.560 2
1 849 . 1 1 A 96 96 ASN HA H 74 4.780 5.014 -0.234 2
1 854 . 1 1 A 96 96 ASN C C 74 174.960 174.664 0.296 2
1 855 . 1 1 A 96 96 ASN CA C 74 51.570 52.539 -0.969 2
1 856 . 1 1 A 96 96 ASN CB C 74 40.130 39.492 0.639 2
1 857 . 1 1 A 96 96 ASN N N 74 108.930 114.223 -5.293 2
1 859 . 1 1 A 97 97 ASP H H 75 8.330 9.066 -0.736 2
1 860 . 1 1 A 97 97 ASP HA H 75 4.190 4.456 -0.266 2
1 863 . 1 1 A 97 97 ASP C C 75 177.800 178.502 -0.702 2
1 864 . 1 1 A 97 97 ASP CA C 75 57.780 56.692 1.088 2
1 865 . 1 1 A 97 97 ASP CB C 75 39.230 39.531 -0.301 2
1 866 . 1 1 A 97 97 ASP N N 75 120.390 118.292 2.098 2
1 867 . 1 1 A 98 98 ALA H H 76 8.090 8.071 0.019 2
1 868 . 1 1 A 98 98 ALA HA H 76 4.210 3.962 0.248 2
1 872 . 1 1 A 98 98 ALA C C 76 181.130 180.033 1.097 2
1 873 . 1 1 A 98 98 ALA CA C 76 55.160 55.239 -0.079 2
1 874 . 1 1 A 98 98 ALA CB C 76 17.440 18.038 -0.598 2
1 875 . 1 1 A 98 98 ALA N N 76 122.660 121.793 0.867 2
1 876 . 1 1 A 99 99 GLN H H 77 8.110 7.767 0.343 2
1 877 . 1 1 A 99 99 GLN HA H 77 4.170 4.059 0.111 2
1 884 . 1 1 A 99 99 GLN C C 77 180.190 178.589 1.601 2
1 885 . 1 1 A 99 99 GLN CA C 77 58.680 58.526 0.154 2
1 886 . 1 1 A 99 99 GLN CB C 77 28.590 28.563 0.027 2
1 888 . 1 1 A 99 99 GLN N N 77 116.870 117.968 -1.098 2
1 890 . 1 1 A 100 100 VAL H H 78 7.860 7.682 0.178 2
1 891 . 1 1 A 100 100 VAL HA H 78 3.400 3.557 -0.157 2
1 899 . 1 1 A 100 100 VAL C C 78 177.510 178.021 -0.511 2
1 900 . 1 1 A 100 100 VAL CA C 78 67.800 66.376 1.424 2
1 901 . 1 1 A 100 100 VAL CB C 78 30.810 31.736 -0.926 2
1 904 . 1 1 A 100 100 VAL N N 78 125.200 121.011 4.189 2
1 905 . 1 1 A 101 101 ASP H H 79 7.810 7.886 -0.076 2
1 906 . 1 1 A 101 101 ASP HA H 79 4.420 4.211 0.209 2
1 909 . 1 1 A 101 101 ASP C C 79 175.010 178.590 -3.580 2
1 910 . 1 1 A 101 101 ASP CA C 79 58.490 57.215 1.275 2
1 911 . 1 1 A 101 101 ASP CB C 79 40.400 40.805 -0.405 2
1 912 . 1 1 A 101 101 ASP N N 79 119.560 120.334 -0.774 2
1 913 . 1 1 A 102 102 GLU H H 80 8.620 8.012 0.608 2
1 914 . 1 1 A 102 102 GLU HA H 80 4.080 4.043 0.037 2
1 919 . 1 1 A 102 102 GLU C C 80 179.540 179.482 0.058 2
1 920 . 1 1 A 102 102 GLU CA C 80 59.470 59.323 0.147 2
1 921 . 1 1 A 102 102 GLU CB C 80 30.210 29.421 0.789 2
1 923 . 1 1 A 102 102 GLU N N 80 121.400 118.947 2.453 2
1 924 . 1 1 A 103 103 THR H H 81 8.120 7.642 0.478 2
1 925 . 1 1 A 103 103 THR HA H 81 3.660 3.744 -0.084 2
1 930 . 1 1 A 103 103 THR C C 81 174.440 176.067 -1.627 2
1 931 . 1 1 A 103 103 THR CA C 81 66.990 65.998 0.992 2
1 932 . 1 1 A 103 103 THR CB C 81 68.070 68.108 -0.038 2
1 934 . 1 1 A 103 103 THR N N 81 118.770 118.281 0.489 2
1 935 . 1 1 A 104 104 PHE H H 82 8.340 7.969 0.371 2
1 936 . 1 1 A 104 104 PHE HA H 82 3.030 3.637 -0.607 2
1 943 . 1 1 A 104 104 PHE C C 82 176.050 176.678 -0.628 2
1 944 . 1 1 A 104 104 PHE CA C 82 61.480 61.935 -0.455 2
1 945 . 1 1 A 104 104 PHE CB C 82 38.550 38.700 -0.150 2
1 948 . 1 1 A 104 104 PHE N N 82 122.350 121.527 0.823 2
1 949 . 1 1 A 105 105 ALA H H 83 7.780 8.345 -0.565 2
1 950 . 1 1 A 105 105 ALA HA H 83 3.680 4.081 -0.401 2
1 954 . 1 1 A 105 105 ALA C C 83 181.410 179.898 1.512 2
1 955 . 1 1 A 105 105 ALA CA C 83 54.880 55.035 -0.154 2
1 956 . 1 1 A 105 105 ALA CB C 83 18.080 18.322 -0.242 2
1 957 . 1 1 A 105 105 ALA N N 83 118.740 121.108 -2.368 2
1 958 . 1 1 A 106 106 GLY H H 84 8.120 8.080 0.040 2
1 959 . 1 1 A 106 106 GLY HA2 H 84 3.910 3.579 0.331 2
1 960 . 1 1 A 106 106 GLY HA3 H 84 3.810 3.597 0.213 2
1 961 . 1 1 A 106 106 GLY C C 84 176.780 177.201 -0.421 2
1 962 . 1 1 A 106 106 GLY CA C 84 46.910 47.050 -0.140 2
1 963 . 1 1 A 106 106 GLY N N 84 107.090 105.349 1.741 2
1 964 . 1 1 A 107 107 TRP H H 85 9.240 7.763 1.477 2
1 965 . 1 1 A 107 107 TRP HA H 85 4.440 4.591 -0.151 2
1 972 . 1 1 A 107 107 TRP C C 85 179.210 178.389 0.821 2
1 973 . 1 1 A 107 107 TRP CA C 85 59.190 60.561 -1.371 2
1 974 . 1 1 A 107 107 TRP CB C 85 28.450 28.922 -0.472 2
1 978 . 1 1 A 107 107 TRP N N 85 124.820 121.987 2.833 2
1 980 . 1 1 A 108 108 LYS H H 86 8.610 8.264 0.346 2
1 981 . 1 1 A 108 108 LYS HA H 86 3.920 3.902 0.018 2
1 990 . 1 1 A 108 108 LYS C C 86 180.980 178.737 2.243 2
1 991 . 1 1 A 108 108 LYS CA C 86 60.040 59.388 0.652 2
1 992 . 1 1 A 108 108 LYS CB C 86 31.850 32.295 -0.445 2
1 996 . 1 1 A 108 108 LYS N N 86 121.490 120.947 0.543 2
1 997 . 1 1 A 109 109 ALA H H 87 7.890 7.865 0.025 2
1 998 . 1 1 A 109 109 ALA HA H 87 4.150 4.175 -0.025 2
1 1002 . 1 1 A 109 109 ALA C C 87 179.050 178.503 0.547 2
1 1003 . 1 1 A 109 109 ALA CA C 87 54.670 54.326 0.344 2
1 1004 . 1 1 A 109 109 ALA CB C 87 18.010 18.280 -0.270 2
1 1005 . 1 1 A 109 109 ALA N N 87 121.920 121.480 0.440 2
1 1006 . 1 1 A 110 110 SER H H 88 7.510 7.520 -0.010 2
1 1007 . 1 1 A 110 110 SER HA H 88 4.450 4.613 -0.163 2
1 1010 . 1 1 A 110 110 SER C C 88 174.140 174.563 -0.423 2
1 1011 . 1 1 A 110 110 SER CA C 88 58.750 58.358 0.392 2
1 1012 . 1 1 A 110 110 SER CB C 88 63.950 63.509 0.441 2
1 1013 . 1 1 A 110 110 SER N N 88 112.390 111.518 0.872 2
1 1014 . 1 1 A 111 111 GLY H H 89 7.790 7.875 -0.085 2
1 1015 . 1 1 A 111 111 GLY HA2 H 89 4.180 3.971 0.209 2
1 1016 . 1 1 A 111 111 GLY HA3 H 89 3.700 3.994 -0.294 2
1 1017 . 1 1 A 111 111 GLY C C 89 174.520 174.623 -0.103 2
1 1018 . 1 1 A 111 111 GLY CA C 89 45.530 46.578 -1.048 2
1 1019 . 1 1 A 111 111 GLY N N 89 108.220 110.118 -1.898 2
1 1020 . 1 1 A 112 112 VAL H H 90 7.660 7.670 -0.010 2
1 1021 . 1 1 A 112 112 VAL HA H 90 3.830 4.197 -0.367 2
1 1029 . 1 1 A 112 112 VAL C C 90 175.430 176.469 -1.039 2
1 1030 . 1 1 A 112 112 VAL CA C 90 63.880 61.234 2.646 2
1 1031 . 1 1 A 112 112 VAL CB C 90 32.040 32.903 -0.863 2
1 1034 . 1 1 A 112 112 VAL N N 90 122.880 120.199 2.681 2
1 1035 . 1 1 A 113 113 ALA H H 91 8.720 8.456 0.265 2
1 1036 . 1 1 A 113 113 ALA HA H 91 4.210 4.002 0.208 2
1 1040 . 1 1 A 113 113 ALA C C 91 176.290 177.785 -1.495 2
1 1041 . 1 1 A 113 113 ALA CA C 91 52.900 55.007 -2.107 2
1 1042 . 1 1 A 113 113 ALA CB C 91 19.290 18.747 0.543 2
1 1043 . 1 1 A 113 113 ALA N N 91 132.080 128.825 3.255 2
1 1044 . 1 1 A 114 114 MET H H 92 8.260 7.889 0.371 2
1 1045 . 1 1 A 114 114 MET HA H 92 5.330 4.203 1.127 2
1 1051 . 1 1 A 114 114 MET C C 92 176.780 176.253 0.527 2
1 1052 . 1 1 A 114 114 MET CA C 92 53.390 56.193 -2.803 2
1 1053 . 1 1 A 114 114 MET CB C 92 33.450 30.845 2.605 2
1 1055 . 1 1 A 114 114 MET N N 92 116.930 116.709 0.221 2
1 1056 . 1 1 A 115 115 LEU H H 93 8.990 8.134 0.856 2
1 1057 . 1 1 A 115 115 LEU HA H 93 4.550 4.989 -0.439 2
1 1067 . 1 1 A 115 115 LEU C C 93 176.630 175.601 1.029 2
1 1068 . 1 1 A 115 115 LEU CA C 93 55.140 53.749 1.391 2
1 1069 . 1 1 A 115 115 LEU CB C 93 44.810 42.657 2.153 2
1 1073 . 1 1 A 115 115 LEU N N 93 122.250 117.631 4.619 2
1 1074 . 1 1 A 116 116 GLN H H 94 8.280 8.328 -0.048 2
1 1075 . 1 1 A 116 116 GLN HA H 94 4.700 4.690 0.010 2
1 1080 . 1 1 A 116 116 GLN C C 94 174.860 174.083 0.776 2
1 1081 . 1 1 A 116 116 GLN CA C 94 55.600 55.856 -0.256 2
1 1082 . 1 1 A 116 116 GLN CB C 94 33.510 32.754 0.756 2
1 1083 . 1 1 A 116 116 GLN N N 94 121.140 123.241 -2.101 2
1 1085 . 1 1 A 117 117 GLN H H 95 8.490 8.645 -0.155 2
1 1086 . 1 1 A 117 117 GLN HA H 95 4.080 4.777 -0.697 2
1 1093 . 1 1 A 117 117 GLN CA C 95 54.860 53.231 1.629 2
1 1094 . 1 1 A 117 117 GLN CB C 95 26.550 29.034 -2.484 2
1 1096 . 1 1 A 117 117 GLN N N 95 125.610 125.194 0.416 2
1 1098 . 1 1 A 118 118 PRO HA H 96 4.410 4.720 -0.310 2
1 1103 . 1 1 A 118 118 PRO C C 96 176.290 175.676 0.614 2
1 1104 . 1 1 A 118 118 PRO CA C 96 64.130 62.957 1.173 2
1 1105 . 1 1 A 118 118 PRO CB C 96 30.550 31.485 -0.934 2
1 1107 . 1 1 A 119 119 ALA H H 97 8.980 8.188 0.792 2
1 1108 . 1 1 A 119 119 ALA HA H 97 4.550 4.877 -0.327 2
1 1112 . 1 1 A 119 119 ALA C C 97 175.820 175.927 -0.107 2
1 1113 . 1 1 A 119 119 ALA CA C 97 51.100 50.467 0.633 2
1 1114 . 1 1 A 119 119 ALA CB C 97 22.150 22.846 -0.696 2
1 1115 . 1 1 A 119 119 ALA N N 97 126.580 125.709 0.871 2
1 1116 . 1 1 A 120 120 LYS H H 98 8.710 8.550 0.161 2
1 1117 . 1 1 A 120 120 LYS HA H 98 4.450 4.620 -0.170 2
1 1126 . 1 1 A 120 120 LYS C C 98 175.950 175.847 0.103 2
1 1127 . 1 1 A 120 120 LYS CA C 98 56.360 56.577 -0.217 2
1 1128 . 1 1 A 120 120 LYS CB C 98 32.090 32.921 -0.831 2
1 1132 . 1 1 A 120 120 LYS N N 98 121.330 121.611 -0.281 2
1 1133 . 1 1 A 121 121 MET H H 99 8.130 8.540 -0.410 2
1 1138 . 1 1 A 121 121 MET N N 99 125.590 125.234 0.356 2
1 1139 . 1 1 A 122 122 GLU HA H 100 3.890 3.862 0.028 2
1 1144 . 1 1 A 122 122 GLU C C 100 176.450 177.458 -1.008 2
1 1145 . 1 1 A 122 122 GLU CA C 100 59.740 59.197 0.543 2
1 1146 . 1 1 A 122 122 GLU CB C 100 29.200 29.061 0.139 2
1 1148 . 1 1 A 123 123 PHE H H 101 6.120 7.608 -1.488 2
1 1149 . 1 1 A 123 123 PHE HA H 101 4.430 4.580 -0.150 2
1 1152 . 1 1 A 123 123 PHE C C 101 173.950 175.468 -1.518 2
1 1153 . 1 1 A 123 123 PHE CA C 101 54.750 57.861 -3.111 2
1 1154 . 1 1 A 123 123 PHE CB C 101 38.630 39.605 -0.975 2
1 1155 . 1 1 A 123 123 PHE N N 101 108.900 116.005 -7.105 2
1 1156 . 1 1 A 124 124 GLY H H 102 6.670 7.478 -0.808 2
1 1157 . 1 1 A 124 124 GLY HA2 H 102 4.780 4.114 0.666 2
1 1158 . 1 1 A 124 124 GLY HA3 H 102 3.770 4.235 -0.465 2
1 1159 . 1 1 A 124 124 GLY C C 102 170.410 172.315 -1.905 2
1 1160 . 1 1 A 124 124 GLY CA C 102 44.570 44.386 0.184 2
1 1161 . 1 1 A 124 124 GLY N N 102 108.900 108.050 0.850 2
1 1162 . 1 1 A 125 125 TYR H H 103 8.210 8.475 -0.265 2
1 1163 . 1 1 A 125 125 TYR HA H 103 5.080 4.870 0.210 2
1 1170 . 1 1 A 125 125 TYR C C 103 175.980 174.445 1.535 2
1 1171 . 1 1 A 125 125 TYR CA C 103 56.530 56.974 -0.444 2
1 1172 . 1 1 A 125 125 TYR CB C 103 40.180 38.847 1.333 2
1 1175 . 1 1 A 125 125 TYR N N 103 123.360 121.733 1.627 2
1 1176 . 1 1 A 126 126 THR H H 104 8.450 8.744 -0.294 2
1 1177 . 1 1 A 126 126 THR HA H 104 5.630 5.352 0.278 2
1 1182 . 1 1 A 126 126 THR C C 104 170.010 172.623 -2.613 2
1 1183 . 1 1 A 126 126 THR CA C 104 58.490 60.076 -1.586 2
1 1184 . 1 1 A 126 126 THR CB C 104 72.110 71.765 0.345 2
1 1186 . 1 1 A 126 126 THR N N 104 120.720 122.183 -1.463 2
1 1187 . 1 1 A 127 127 PHE H H 105 8.170 8.968 -0.798 2
1 1188 . 1 1 A 127 127 PHE HA H 105 4.620 5.414 -0.794 2
1 1195 . 1 1 A 127 127 PHE C C 105 172.490 173.202 -0.712 2
1 1196 . 1 1 A 127 127 PHE CA C 105 56.610 56.872 -0.262 2
1 1197 . 1 1 A 127 127 PHE CB C 105 41.710 42.785 -1.075 2
1 1200 . 1 1 A 127 127 PHE N N 105 120.530 126.661 -6.131 2
1 1201 . 1 1 A 128 128 THR H H 106 8.450 8.643 -0.193 2
1 1202 . 1 1 A 128 128 THR HA H 106 5.090 5.009 0.081 2
1 1207 . 1 1 A 128 128 THR C C 106 172.750 173.388 -0.638 2
1 1208 . 1 1 A 128 128 THR CA C 106 63.340 60.848 2.492 2
1 1209 . 1 1 A 128 128 THR CB C 106 70.420 71.663 -1.243 2
1 1211 . 1 1 A 128 128 THR N N 106 114.010 119.507 -5.497 2
1 1212 . 1 1 A 129 129 ALA H H 107 10.030 9.011 1.019 2
1 1213 . 1 1 A 129 129 ALA HA H 107 5.540 5.267 0.273 2
1 1217 . 1 1 A 129 129 ALA C C 107 179.620 175.733 3.887 2
1 1218 . 1 1 A 129 129 ALA CA C 107 50.640 50.177 0.463 2
1 1219 . 1 1 A 129 129 ALA CB C 107 24.570 22.643 1.927 2
1 1220 . 1 1 A 129 129 ALA N N 107 135.110 129.187 5.923 2
1 1221 . 1 1 A 130 130 ALA H H 108 8.650 8.794 -0.144 2
1 1222 . 1 1 A 130 130 ALA HA H 108 5.380 5.338 0.042 2
1 1226 . 1 1 A 130 130 ALA C C 108 175.480 176.327 -0.847 2
1 1227 . 1 1 A 130 130 ALA CA C 108 50.100 50.312 -0.212 2
1 1228 . 1 1 A 130 130 ALA CB C 108 22.770 21.816 0.954 2
1 1229 . 1 1 A 130 130 ALA N N 108 121.150 121.456 -0.306 2
1 1230 . 1 1 A 131 131 ASP H H 109 8.770 8.672 0.098 2
1 1231 . 1 1 A 131 131 ASP HA H 109 3.910 4.602 -0.692 2
1 1234 . 1 1 A 131 131 ASP CA C 109 51.290 52.273 -0.983 2
1 1235 . 1 1 A 131 131 ASP CB C 109 41.350 40.750 0.600 2
1 1236 . 1 1 A 131 131 ASP N N 109 123.100 123.443 -0.343 2
1 1237 . 1 1 A 132 132 PRO HA H 110 4.140 4.149 -0.009 2
1 1242 . 1 1 A 132 132 PRO C C 110 176.890 177.406 -0.516 2
1 1243 . 1 1 A 132 132 PRO CA C 110 65.730 65.255 0.475 2
1 1244 . 1 1 A 132 132 PRO CB C 110 31.850 31.488 0.362 2
1 1246 . 1 1 A 133 133 ASP H H 111 8.740 7.314 1.426 2
1 1247 . 1 1 A 133 133 ASP HA H 111 4.800 4.556 0.243 2
1 1250 . 1 1 A 133 133 ASP C C 111 173.720 175.233 -1.513 2
1 1251 . 1 1 A 133 133 ASP CA C 111 54.140 54.094 0.046 2
1 1252 . 1 1 A 133 133 ASP CB C 111 42.910 40.881 2.029 2
1 1253 . 1 1 A 133 133 ASP N N 111 118.220 116.240 1.980 2
1 1254 . 1 1 A 134 134 SER H H 112 8.370 7.671 0.699 2
1 1255 . 1 1 A 134 134 SER HA H 112 3.710 4.011 -0.301 2
1 1258 . 1 1 A 134 134 SER CA C 112 60.670 59.006 1.664 2
1 1259 . 1 1 A 134 134 SER CB C 112 61.430 61.259 0.171 2
1 1260 . 1 1 A 134 134 SER N N 112 109.220 112.749 -3.530 2
1 1261 . 1 1 A 135 135 HIS H H 113 8.850 7.612 1.238 2
1 1268 . 1 1 A 135 135 HIS N N 113 122.820 119.287 3.533 2
1 1269 . 1 1 A 136 136 ARG HA H 114 4.680 4.740 -0.060 2
1 1270 . 1 1 A 136 136 ARG C C 114 175.220 175.133 0.087 2
1 1271 . 1 1 A 136 136 ARG CA C 114 57.560 55.451 2.109 2
1 1272 . 1 1 A 137 137 LEU H H 115 8.680 8.976 -0.296 2
1 1273 . 1 1 A 137 137 LEU HA H 115 5.490 5.165 0.325 2
1 1282 . 1 1 A 137 137 LEU C C 115 174.620 175.356 -0.736 2
1 1283 . 1 1 A 137 137 LEU CA C 115 52.580 54.157 -1.577 2
1 1284 . 1 1 A 137 137 LEU CB C 115 43.070 42.481 0.589 2
1 1287 . 1 1 A 137 137 LEU N N 115 123.990 126.918 -2.928 2
1 1288 . 1 1 A 138 138 ARG H H 116 9.510 9.260 0.250 2
1 1289 . 1 1 A 138 138 ARG HA H 116 5.120 5.007 0.113 2
1 1292 . 1 1 A 138 138 ARG C C 116 175.090 175.068 0.022 2
1 1293 . 1 1 A 138 138 ARG CA C 116 54.700 55.394 -0.694 2
1 1294 . 1 1 A 138 138 ARG CB C 116 33.480 31.637 1.843 2
1 1295 . 1 1 A 138 138 ARG N N 116 125.370 126.006 -0.636 2
1 1296 . 1 1 A 139 139 VAL H H 117 7.970 8.630 -0.660 2
1 1297 . 1 1 A 139 139 VAL HA H 117 5.280 5.245 0.035 2
1 1305 . 1 1 A 139 139 VAL C C 117 176.390 175.080 1.310 2
1 1306 . 1 1 A 139 139 VAL CA C 117 60.090 61.431 -1.341 2
1 1307 . 1 1 A 139 139 VAL CB C 117 32.690 33.624 -0.934 2
1 1310 . 1 1 A 139 139 VAL N N 117 128.260 125.085 3.175 2
1 1311 . 1 1 A 140 140 TYR H H 118 9.200 8.902 0.298 2
1 1312 . 1 1 A 140 140 TYR HA H 118 5.800 5.880 -0.080 2
1 1319 . 1 1 A 140 140 TYR C C 118 170.820 173.162 -2.342 2
1 1320 . 1 1 A 140 140 TYR CA C 118 56.060 55.328 0.732 2
1 1321 . 1 1 A 140 140 TYR CB C 118 42.460 41.633 0.827 2
1 1324 . 1 1 A 140 140 TYR N N 118 127.020 124.131 2.889 2
1 1325 . 1 1 A 141 141 ALA H H 119 8.330 9.089 -0.760 2
1 1326 . 1 1 A 141 141 ALA HA H 119 4.560 5.063 -0.503 2
1 1330 . 1 1 A 141 141 ALA C C 119 177.150 176.100 1.050 2
1 1331 . 1 1 A 141 141 ALA CA C 119 50.530 50.607 -0.077 2
1 1332 . 1 1 A 141 141 ALA CB C 119 21.220 21.238 -0.018 2
1 1333 . 1 1 A 141 141 ALA N N 119 121.160 122.661 -1.501 2
1 1334 . 1 1 A 142 142 PHE H H 120 8.780 8.985 -0.205 2
1 1335 . 1 1 A 142 142 PHE HA H 120 4.910 5.040 -0.130 2
1 1340 . 1 1 A 142 142 PHE C C 120 175.090 174.334 0.756 2
1 1341 . 1 1 A 142 142 PHE CA C 120 57.720 57.978 -0.258 2
1 1342 . 1 1 A 142 142 PHE CB C 120 40.810 39.712 1.098 2
1 1344 . 1 1 A 142 142 PHE N N 120 122.630 126.396 -3.766 2
1 1345 . 1 1 A 143 143 ALA H H 121 8.190 8.283 -0.093 2
1 1346 . 1 1 A 143 143 ALA HA H 121 4.330 4.375 -0.045 2
1 1350 . 1 1 A 143 143 ALA C C 121 176.260 177.199 -0.939 2
1 1351 . 1 1 A 143 143 ALA CA C 121 52.280 51.912 0.368 2
1 1352 . 1 1 A 143 143 ALA CB C 121 19.310 18.480 0.830 2
1 1353 . 1 1 A 143 143 ALA N N 121 129.460 129.561 -0.101 2
stop_
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