data_16101_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16101
_Entry.PDB_ID 2KD0
_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 1 . 1 1 1 A 10 10 HIS HA H 10 4.506 4.738 -0.232 1
1 4 . 1 1 1 A 10 10 HIS C C 10 176.040 174.837 1.203 1
1 5 . 1 1 1 A 10 10 HIS CA C 10 55.850 56.172 -0.322 1
1 6 . 1 1 1 A 10 10 HIS CB C 10 33.250 31.694 1.556 1
1 7 . 1 1 1 A 11 11 SER H H 11 8.462 8.762 -0.300 1
1 8 . 1 1 1 A 11 11 SER HA H 11 4.516 4.752 -0.236 1
1 10 . 1 1 1 A 11 11 SER C C 11 174.050 172.934 1.116 1
1 11 . 1 1 1 A 11 11 SER CA C 11 59.054 56.130 2.924 1
1 12 . 1 1 1 A 11 11 SER CB C 11 63.850 65.211 -1.361 1
1 13 . 1 1 1 A 11 11 SER N N 11 117.900 115.166 2.734 1
1 14 . 1 1 1 A 12 12 THR H H 12 7.923 8.345 -0.422 1
1 15 . 1 1 1 A 12 12 THR HA H 12 4.581 5.103 -0.522 1
1 20 . 1 1 1 A 12 12 THR C C 12 174.140 174.362 -0.222 1
1 21 . 1 1 1 A 12 12 THR CA C 12 61.245 60.943 0.302 1
1 22 . 1 1 1 A 12 12 THR CB C 12 71.940 69.817 2.123 1
1 24 . 1 1 1 A 12 12 THR N N 12 112.783 114.746 -1.963 1
1 25 . 1 1 1 A 13 13 ILE H H 13 9.201 8.609 0.592 1
1 26 . 1 1 1 A 13 13 ILE HA H 13 4.532 4.516 0.016 1
1 36 . 1 1 1 A 13 13 ILE C C 13 173.930 175.715 -1.785 1
1 37 . 1 1 1 A 13 13 ILE CA C 13 59.720 60.255 -0.535 1
1 38 . 1 1 1 A 13 13 ILE CB C 13 41.597 39.012 2.585 1
1 42 . 1 1 1 A 13 13 ILE N N 13 117.602 123.425 -5.823 1
1 43 . 1 1 1 A 14 14 LYS H H 14 8.077 8.174 -0.097 1
1 44 . 1 1 1 A 14 14 LYS HA H 14 5.110 4.957 0.153 1
1 53 . 1 1 1 A 14 14 LYS C C 14 175.360 175.620 -0.260 1
1 54 . 1 1 1 A 14 14 LYS CA C 14 55.200 56.240 -1.040 1
1 55 . 1 1 1 A 14 14 LYS CB C 14 33.130 33.058 0.072 1
1 59 . 1 1 1 A 14 14 LYS N N 14 122.699 123.057 -0.358 1
1 60 . 1 1 1 A 15 15 LEU H H 15 8.953 9.349 -0.396 1
1 61 . 1 1 1 A 15 15 LEU HA H 15 5.025 4.934 0.091 1
1 71 . 1 1 1 A 15 15 LEU C C 15 176.400 175.365 1.035 1
1 72 . 1 1 1 A 15 15 LEU CA C 15 53.620 53.482 0.138 1
1 73 . 1 1 1 A 15 15 LEU CB C 15 45.380 42.834 2.546 1
1 77 . 1 1 1 A 15 15 LEU N N 15 121.650 126.861 -5.211 1
1 78 . 1 1 1 A 16 16 THR H H 16 8.412 8.932 -0.520 1
1 79 . 1 1 1 A 16 16 THR HA H 16 5.075 4.831 0.244 1
1 84 . 1 1 1 A 16 16 THR C C 16 173.070 173.732 -0.662 1
1 85 . 1 1 1 A 16 16 THR CA C 16 61.380 61.593 -0.213 1
1 86 . 1 1 1 A 16 16 THR CB C 16 71.700 68.476 3.224 1
1 88 . 1 1 1 A 16 16 THR N N 16 114.701 120.105 -5.404 1
1 89 . 1 1 1 A 17 17 VAL H H 17 9.083 8.995 0.088 1
1 90 . 1 1 1 A 17 17 VAL HA H 17 4.600 4.744 -0.144 1
1 98 . 1 1 1 A 17 17 VAL C C 17 174.570 174.812 -0.242 1
1 99 . 1 1 1 A 17 17 VAL CA C 17 61.005 61.669 -0.664 1
1 100 . 1 1 1 A 17 17 VAL CB C 17 33.600 32.607 0.993 1
1 103 . 1 1 1 A 17 17 VAL N N 17 125.565 127.700 -2.135 1
1 104 . 1 1 1 A 18 18 LYS H H 18 9.183 8.956 0.227 1
1 105 . 1 1 1 A 18 18 LYS HA H 18 5.156 4.907 0.249 1
1 114 . 1 1 1 A 18 18 LYS C C 18 175.150 175.410 -0.260 1
1 115 . 1 1 1 A 18 18 LYS CA C 18 54.630 55.208 -0.578 1
1 116 . 1 1 1 A 18 18 LYS CB C 18 33.217 32.721 0.496 1
1 120 . 1 1 1 A 18 18 LYS N N 18 129.200 127.693 1.507 1
1 121 . 1 1 1 A 19 19 PHE H H 19 8.927 9.323 -0.396 1
1 122 . 1 1 1 A 19 19 PHE HA H 19 5.377 4.767 0.610 1
1 129 . 1 1 1 A 19 19 PHE C C 19 175.850 175.832 0.018 1
1 130 . 1 1 1 A 19 19 PHE CA C 19 55.330 56.448 -1.118 1
1 131 . 1 1 1 A 19 19 PHE CB C 19 41.690 36.958 4.732 1
1 136 . 1 1 1 A 19 19 PHE N N 19 126.659 124.856 1.803 1
1 139 . 1 1 1 A 20 20 GLY H H 20 9.275 8.614 0.661 1
1 140 . 1 1 1 A 20 20 GLY HA2 H 20 3.580 3.869 -0.289 1
1 141 . 1 1 1 A 20 20 GLY HA3 H 20 3.578 3.895 -0.317 1
1 142 . 1 1 1 A 20 20 GLY C C 20 175.090 175.111 -0.021 1
1 143 . 1 1 1 A 20 20 GLY CA C 20 47.070 47.328 -0.258 1
1 144 . 1 1 1 A 20 20 GLY N N 20 119.629 113.194 6.435 1
1 145 . 1 1 1 A 21 21 GLY H H 21 8.819 8.660 0.159 1
1 146 . 1 1 1 A 21 21 GLY HA2 H 21 3.942 4.017 -0.075 1
1 147 . 1 1 1 A 21 21 GLY HA3 H 21 3.942 4.018 -0.076 1
1 148 . 1 1 1 A 21 21 GLY C C 21 173.890 173.535 0.355 1
1 149 . 1 1 1 A 21 21 GLY CA C 21 45.290 45.123 0.167 1
1 150 . 1 1 1 A 21 21 GLY N N 21 111.500 112.467 -0.967 1
1 151 . 1 1 1 A 22 22 LYS H H 22 7.975 7.698 0.277 1
1 152 . 1 1 1 A 22 22 LYS HA H 22 4.616 4.655 -0.039 1
1 161 . 1 1 1 A 22 22 LYS C C 22 175.450 174.864 0.586 1
1 162 . 1 1 1 A 22 22 LYS CA C 22 55.514 55.126 0.388 1
1 163 . 1 1 1 A 22 22 LYS CB C 22 34.790 34.106 0.684 1
1 167 . 1 1 1 A 22 22 LYS N N 22 121.832 120.005 1.827 1
1 168 . 1 1 1 A 23 23 SER H H 23 8.722 8.922 -0.200 1
1 169 . 1 1 1 A 23 23 SER HA H 23 4.841 4.927 -0.086 1
1 172 . 1 1 1 A 23 23 SER C C 23 173.910 173.850 0.060 1
1 173 . 1 1 1 A 23 23 SER CA C 23 58.344 58.407 -0.063 1
1 174 . 1 1 1 A 23 23 SER CB C 23 64.237 63.831 0.406 1
1 175 . 1 1 1 A 23 23 SER N N 23 119.004 122.177 -3.173 1
1 176 . 1 1 1 A 24 24 ILE H H 24 9.444 9.448 -0.004 1
1 177 . 1 1 1 A 24 24 ILE HA H 24 4.502 4.657 -0.155 1
1 187 . 1 1 1 A 24 24 ILE C C 24 173.590 174.930 -1.340 1
1 188 . 1 1 1 A 24 24 ILE CA C 24 59.145 58.057 1.088 1
1 189 . 1 1 1 A 24 24 ILE CB C 24 40.620 38.875 1.745 1
1 193 . 1 1 1 A 24 24 ILE N N 24 129.205 127.848 1.357 1
1 194 . 1 1 1 A 25 25 PRO HA H 25 5.179 4.884 0.295 1
1 201 . 1 1 1 A 25 25 PRO C C 25 176.750 176.075 0.675 1
1 202 . 1 1 1 A 25 25 PRO CA C 25 61.740 62.252 -0.512 1
1 203 . 1 1 1 A 25 25 PRO CB C 25 32.010 31.795 0.215 1
1 206 . 1 1 1 A 26 26 LEU H H 26 8.720 9.052 -0.332 1
1 207 . 1 1 1 A 26 26 LEU HA H 26 4.731 5.019 -0.288 1
1 217 . 1 1 1 A 26 26 LEU C C 26 175.450 176.258 -0.808 1
1 218 . 1 1 1 A 26 26 LEU CA C 26 54.731 53.069 1.662 1
1 219 . 1 1 1 A 26 26 LEU CB C 26 47.766 45.776 1.990 1
1 223 . 1 1 1 A 26 26 LEU N N 26 122.986 124.681 -1.695 1
1 224 . 1 1 1 A 27 27 SER H H 27 8.404 8.744 -0.340 1
1 225 . 1 1 1 A 27 27 SER HA H 27 5.504 5.799 -0.295 1
1 228 . 1 1 1 A 27 27 SER C C 27 174.498 173.068 1.430 1
1 229 . 1 1 1 A 27 27 SER CA C 27 57.000 57.720 -0.720 1
1 230 . 1 1 1 A 27 27 SER CB C 27 63.850 65.273 -1.423 1
1 231 . 1 1 1 A 27 27 SER N N 27 118.151 118.536 -0.385 1
1 232 . 1 1 1 A 28 28 VAL H H 28 8.743 8.623 0.120 1
1 233 . 1 1 1 A 28 28 VAL HA H 28 4.792 5.086 -0.294 1
1 241 . 1 1 1 A 28 28 VAL C C 28 174.250 173.836 0.414 1
1 242 . 1 1 1 A 28 28 VAL CA C 28 58.792 59.015 -0.223 1
1 243 . 1 1 1 A 28 28 VAL CB C 28 36.600 35.394 1.206 1
1 246 . 1 1 1 A 28 28 VAL N N 28 118.097 119.148 -1.051 1
1 247 . 1 1 1 A 29 29 SER H H 29 8.694 8.611 0.083 1
1 248 . 1 1 1 A 29 29 SER HA H 29 4.960 5.040 -0.080 1
1 251 . 1 1 1 A 29 29 SER C C 29 175.159 174.135 1.024 1
1 252 . 1 1 1 A 29 29 SER CA C 29 55.925 54.353 1.572 1
1 253 . 1 1 1 A 29 29 SER CB C 29 64.080 63.844 0.236 1
1 254 . 1 1 1 A 29 29 SER N N 29 116.965 118.150 -1.185 1
1 255 . 1 1 1 A 30 30 PRO HA H 30 4.277 4.381 -0.104 1
1 262 . 1 1 1 A 30 30 PRO C C 30 175.705 177.241 -1.536 1
1 263 . 1 1 1 A 30 30 PRO CA C 30 64.825 64.291 0.534 1
1 264 . 1 1 1 A 30 30 PRO CB C 30 32.074 31.547 0.527 1
1 267 . 1 1 1 A 31 31 ASP H H 31 7.818 8.266 -0.448 1
1 268 . 1 1 1 A 31 31 ASP HA H 31 4.725 4.332 0.393 1
1 271 . 1 1 1 A 31 31 ASP C C 31 175.040 177.129 -2.089 1
1 272 . 1 1 1 A 31 31 ASP CA C 31 54.160 56.171 -2.011 1
1 273 . 1 1 1 A 31 31 ASP CB C 31 41.590 40.859 0.731 1
1 274 . 1 1 1 A 31 31 ASP N N 31 114.503 118.346 -3.843 1
1 275 . 1 1 1 A 32 32 CYS H H 32 7.657 7.744 -0.087 1
1 276 . 1 1 1 A 32 32 CYS HA H 32 4.483 4.619 -0.136 1
1 279 . 1 1 1 A 32 32 CYS C C 32 174.805 174.720 0.085 1
1 280 . 1 1 1 A 32 32 CYS CA C 32 59.510 58.909 0.601 1
1 281 . 1 1 1 A 32 32 CYS CB C 32 28.010 28.645 -0.635 1
1 282 . 1 1 1 A 32 32 CYS N N 32 119.852 118.256 1.596 1
1 283 . 1 1 1 A 33 33 THR H H 33 8.992 8.525 0.467 1
1 284 . 1 1 1 A 33 33 THR HA H 33 4.861 4.882 -0.021 1
1 289 . 1 1 1 A 33 33 THR C C 33 176.350 176.233 0.117 1
1 290 . 1 1 1 A 33 33 THR CA C 33 61.165 59.620 1.545 1
1 291 . 1 1 1 A 33 33 THR CB C 33 71.968 71.963 0.005 1
1 293 . 1 1 1 A 33 33 THR N N 33 115.278 113.109 2.169 1
1 294 . 1 1 1 A 34 34 VAL H H 34 8.558 8.693 -0.135 1
1 295 . 1 1 1 A 34 34 VAL HA H 34 3.384 3.825 -0.441 1
1 303 . 1 1 1 A 34 34 VAL C C 34 177.880 177.686 0.194 1
1 304 . 1 1 1 A 34 34 VAL CA C 34 67.050 65.451 1.599 1
1 305 . 1 1 1 A 34 34 VAL CB C 34 31.303 31.480 -0.177 1
1 308 . 1 1 1 A 34 34 VAL N N 34 123.274 119.361 3.913 1
1 309 . 1 1 1 A 35 35 LYS H H 35 8.316 7.968 0.348 1
1 310 . 1 1 1 A 35 35 LYS HA H 35 3.758 3.905 -0.147 1
1 319 . 1 1 1 A 35 35 LYS C C 35 178.180 178.368 -0.188 1
1 320 . 1 1 1 A 35 35 LYS CA C 35 60.812 59.224 1.588 1
1 321 . 1 1 1 A 35 35 LYS CB C 35 32.610 32.069 0.541 1
1 325 . 1 1 1 A 35 35 LYS N N 35 119.813 120.918 -1.105 1
1 326 . 1 1 1 A 36 36 ASP H H 36 7.959 8.303 -0.344 1
1 327 . 1 1 1 A 36 36 ASP HA H 36 4.414 4.327 0.087 1
1 330 . 1 1 1 A 36 36 ASP C C 36 179.395 178.777 0.618 1
1 331 . 1 1 1 A 36 36 ASP CA C 36 57.360 57.730 -0.370 1
1 332 . 1 1 1 A 36 36 ASP CB C 36 40.350 42.250 -1.900 1
1 333 . 1 1 1 A 36 36 ASP N N 36 120.728 119.997 0.731 1
1 334 . 1 1 1 A 37 37 LEU H H 37 8.147 8.284 -0.137 1
1 335 . 1 1 1 A 37 37 LEU HA H 37 3.976 3.947 0.029 1
1 345 . 1 1 1 A 37 37 LEU C C 37 178.630 179.253 -0.623 1
1 346 . 1 1 1 A 37 37 LEU CA C 37 58.210 58.101 0.109 1
1 347 . 1 1 1 A 37 37 LEU CB C 37 41.470 41.539 -0.069 1
1 351 . 1 1 1 A 37 37 LEU N N 37 123.841 120.017 3.824 1
1 352 . 1 1 1 A 38 38 LYS H H 38 8.308 8.090 0.218 1
1 353 . 1 1 1 A 38 38 LYS HA H 38 4.505 3.924 0.581 1
1 362 . 1 1 1 A 38 38 LYS C C 38 180.780 179.156 1.624 1
1 363 . 1 1 1 A 38 38 LYS CA C 38 59.910 59.852 0.058 1
1 364 . 1 1 1 A 38 38 LYS CB C 38 34.270 32.182 2.088 1
1 368 . 1 1 1 A 38 38 LYS N N 38 117.736 117.525 0.211 1
1 369 . 1 1 1 A 39 39 SER H H 39 7.952 7.851 0.101 1
1 370 . 1 1 1 A 39 39 SER HA H 39 4.230 4.205 0.025 1
1 373 . 1 1 1 A 39 39 SER C C 39 177.240 177.198 0.042 1
1 374 . 1 1 1 A 39 39 SER CA C 39 62.440 61.344 1.096 1
1 375 . 1 1 1 A 39 39 SER CB C 39 62.670 62.981 -0.311 1
1 376 . 1 1 1 A 39 39 SER N N 39 115.100 114.395 0.705 1
1 377 . 1 1 1 A 40 40 GLN H H 40 7.899 7.539 0.360 1
1 378 . 1 1 1 A 40 40 GLN HA H 40 4.125 4.078 0.047 1
1 385 . 1 1 1 A 40 40 GLN C C 40 178.330 178.633 -0.303 1
1 386 . 1 1 1 A 40 40 GLN CA C 40 59.045 58.743 0.302 1
1 387 . 1 1 1 A 40 40 GLN CB C 40 28.893 28.460 0.433 1
1 389 . 1 1 1 A 40 40 GLN N N 40 121.600 121.871 -0.271 1
1 391 . 1 1 1 A 41 41 LEU H H 41 8.010 8.521 -0.511 1
1 392 . 1 1 1 A 41 41 LEU HA H 41 4.130 4.158 -0.028 1
1 402 . 1 1 1 A 41 41 LEU C C 41 179.980 178.885 1.095 1
1 403 . 1 1 1 A 41 41 LEU CA C 41 56.472 56.706 -0.234 1
1 404 . 1 1 1 A 41 41 LEU CB C 41 42.660 41.578 1.082 1
1 408 . 1 1 1 A 41 41 LEU N N 41 116.657 119.722 -3.065 1
1 409 . 1 1 1 A 42 42 GLN H H 42 7.903 8.082 -0.179 1
1 410 . 1 1 1 A 42 42 GLN HA H 42 4.180 4.117 0.063 1
1 417 . 1 1 1 A 42 42 GLN C C 42 174.350 174.437 -0.087 1
1 418 . 1 1 1 A 42 42 GLN CA C 42 61.300 61.077 0.223 1
1 419 . 1 1 1 A 42 42 GLN CB C 42 25.250 26.222 -0.972 1
1 421 . 1 1 1 A 42 42 GLN N N 42 125.104 120.590 4.514 1
1 423 . 1 1 1 A 43 43 PRO HA H 43 4.410 4.397 0.013 1
1 430 . 1 1 1 A 43 43 PRO C C 43 177.270 178.354 -1.084 1
1 431 . 1 1 1 A 43 43 PRO CA C 43 65.130 64.963 0.167 1
1 432 . 1 1 1 A 43 43 PRO CB C 43 31.208 31.303 -0.095 1
1 435 . 1 1 1 A 44 44 ILE H H 44 6.568 7.589 -1.021 1
1 436 . 1 1 1 A 44 44 ILE HA H 44 3.959 3.941 0.018 1
1 446 . 1 1 1 A 44 44 ILE C C 44 177.060 177.625 -0.565 1
1 447 . 1 1 1 A 44 44 ILE CA C 44 63.670 63.637 0.033 1
1 448 . 1 1 1 A 44 44 ILE CB C 44 40.270 38.364 1.906 1
1 452 . 1 1 1 A 44 44 ILE N N 44 114.765 116.723 -1.958 1
1 453 . 1 1 1 A 45 45 THR H H 45 7.826 8.305 -0.479 1
1 454 . 1 1 1 A 45 45 THR HA H 45 4.202 4.199 0.003 1
1 459 . 1 1 1 A 45 45 THR C C 45 174.990 175.463 -0.473 1
1 460 . 1 1 1 A 45 45 THR CA C 45 62.696 61.866 0.830 1
1 461 . 1 1 1 A 45 45 THR CB C 45 71.682 70.144 1.538 1
1 463 . 1 1 1 A 45 45 THR N N 45 107.323 109.420 -2.097 1
1 464 . 1 1 1 A 46 46 ASN H H 46 8.660 7.971 0.689 1
1 465 . 1 1 1 A 46 46 ASN HA H 46 4.381 4.610 -0.229 1
1 470 . 1 1 1 A 46 46 ASN C C 46 173.900 173.075 0.825 1
1 471 . 1 1 1 A 46 46 ASN CA C 46 54.890 54.533 0.357 1
1 472 . 1 1 1 A 46 46 ASN CB C 46 38.207 36.881 1.326 1
1 473 . 1 1 1 A 46 46 ASN N N 46 117.586 115.997 1.589 1
1 475 . 1 1 1 A 47 47 VAL H H 47 7.517 7.259 0.258 1
1 476 . 1 1 1 A 47 47 VAL HA H 47 4.134 4.597 -0.463 1
1 484 . 1 1 1 A 47 47 VAL C C 47 176.140 174.873 1.267 1
1 485 . 1 1 1 A 47 47 VAL CA C 47 61.763 59.858 1.905 1
1 486 . 1 1 1 A 47 47 VAL CB C 47 32.925 34.029 -1.104 1
1 489 . 1 1 1 A 47 47 VAL N N 47 119.901 117.990 1.911 1
1 490 . 1 1 1 A 48 48 LEU H H 48 8.650 8.376 0.274 1
1 491 . 1 1 1 A 48 48 LEU HA H 48 4.194 4.205 -0.011 1
1 501 . 1 1 1 A 48 48 LEU C C 48 177.110 177.300 -0.190 1
1 502 . 1 1 1 A 48 48 LEU CA C 48 54.491 54.193 0.298 1
1 503 . 1 1 1 A 48 48 LEU CB C 48 41.171 41.712 -0.541 1
1 507 . 1 1 1 A 48 48 LEU N N 48 128.467 127.875 0.592 1
1 508 . 1 1 1 A 49 49 PRO HA H 49 3.923 4.312 -0.389 1
1 515 . 1 1 1 A 49 49 PRO C C 49 178.430 178.262 0.168 1
1 516 . 1 1 1 A 49 49 PRO CA C 49 67.000 65.112 1.888 1
1 517 . 1 1 1 A 49 49 PRO CB C 49 32.456 32.131 0.325 1
1 520 . 1 1 1 A 50 50 ARG H H 50 8.331 8.182 0.149 1
1 521 . 1 1 1 A 50 50 ARG HA H 50 4.239 4.055 0.184 1
1 528 . 1 1 1 A 50 50 ARG C C 50 176.940 178.696 -1.756 1
1 529 . 1 1 1 A 50 50 ARG CA C 50 58.130 59.368 -1.238 1
1 530 . 1 1 1 A 50 50 ARG CB C 50 29.200 29.715 -0.515 1
1 533 . 1 1 1 A 50 50 ARG N N 50 114.500 118.449 -3.949 1
1 534 . 1 1 1 A 51 51 GLY H H 51 8.199 7.812 0.387 1
1 535 . 1 1 1 A 51 51 GLY HA2 H 51 3.605 3.939 -0.334 1
1 536 . 1 1 1 A 51 51 GLY HA3 H 51 4.335 3.948 0.387 1
1 537 . 1 1 1 A 51 51 GLY C C 51 173.340 174.707 -1.367 1
1 538 . 1 1 1 A 51 51 GLY CA C 51 44.750 46.409 -1.659 1
1 539 . 1 1 1 A 51 51 GLY N N 51 107.942 107.061 0.881 1
1 540 . 1 1 1 A 52 52 GLN H H 52 7.475 7.663 -0.188 1
1 541 . 1 1 1 A 52 52 GLN HA H 52 4.315 4.442 -0.127 1
1 548 . 1 1 1 A 52 52 GLN C C 52 175.770 174.730 1.040 1
1 549 . 1 1 1 A 52 52 GLN CA C 52 56.023 55.043 0.980 1
1 550 . 1 1 1 A 52 52 GLN CB C 52 31.494 27.334 4.160 1
1 552 . 1 1 1 A 52 52 GLN N N 52 119.769 119.081 0.688 1
1 554 . 1 1 1 A 53 53 LYS H H 53 8.586 8.519 0.067 1
1 555 . 1 1 1 A 53 53 LYS HA H 53 4.500 4.596 -0.096 1
1 564 . 1 1 1 A 53 53 LYS C C 53 174.080 175.279 -1.199 1
1 565 . 1 1 1 A 53 53 LYS CA C 53 55.950 55.755 0.195 1
1 566 . 1 1 1 A 53 53 LYS CB C 53 34.690 32.406 2.284 1
1 570 . 1 1 1 A 53 53 LYS N N 53 123.759 124.539 -0.780 1
1 571 . 1 1 1 A 54 54 LEU H H 54 8.900 8.805 0.095 1
1 572 . 1 1 1 A 54 54 LEU HA H 54 5.271 4.540 0.731 1
1 582 . 1 1 1 A 54 54 LEU C C 54 174.940 175.876 -0.936 1
1 583 . 1 1 1 A 54 54 LEU CA C 54 53.250 54.577 -1.327 1
1 584 . 1 1 1 A 54 54 LEU CB C 54 45.042 41.517 3.525 1
1 588 . 1 1 1 A 54 54 LEU N N 54 126.200 126.274 -0.074 1
1 589 . 1 1 1 A 55 55 ILE H H 55 9.330 8.773 0.557 1
1 590 . 1 1 1 A 55 55 ILE HA H 55 4.886 5.020 -0.134 1
1 600 . 1 1 1 A 55 55 ILE C C 55 175.623 174.483 1.140 1
1 601 . 1 1 1 A 55 55 ILE CA C 55 59.402 60.522 -1.120 1
1 602 . 1 1 1 A 55 55 ILE CB C 55 40.270 40.068 0.202 1
1 606 . 1 1 1 A 55 55 ILE N N 55 123.589 124.528 -0.939 1
1 607 . 1 1 1 A 56 56 PHE H H 56 9.241 9.190 0.051 1
1 608 . 1 1 1 A 56 56 PHE HA H 56 5.212 4.961 0.251 1
1 615 . 1 1 1 A 56 56 PHE C C 56 174.600 174.875 -0.275 1
1 616 . 1 1 1 A 56 56 PHE CA C 56 55.936 57.331 -1.395 1
1 617 . 1 1 1 A 56 56 PHE CB C 56 42.830 42.206 0.624 1
1 622 . 1 1 1 A 56 56 PHE N N 56 127.423 127.997 -0.574 1
1 625 . 1 1 1 A 57 57 LYS H H 57 9.307 8.877 0.430 1
1 626 . 1 1 1 A 57 57 LYS HA H 57 3.630 3.523 0.107 1
1 635 . 1 1 1 A 57 57 LYS C C 57 176.620 176.742 -0.122 1
1 636 . 1 1 1 A 57 57 LYS CA C 57 57.495 57.113 0.382 1
1 637 . 1 1 1 A 57 57 LYS CB C 57 30.100 30.038 0.062 1
1 641 . 1 1 1 A 57 57 LYS N N 57 128.612 127.013 1.599 1
1 642 . 1 1 1 A 58 58 GLY H H 58 8.288 8.659 -0.371 1
1 643 . 1 1 1 A 58 58 GLY HA2 H 58 3.487 3.819 -0.332 1
1 644 . 1 1 1 A 58 58 GLY HA3 H 58 4.098 3.834 0.264 1
1 645 . 1 1 1 A 58 58 GLY C C 58 173.568 173.960 -0.392 1
1 646 . 1 1 1 A 58 58 GLY CA C 58 45.475 45.644 -0.169 1
1 647 . 1 1 1 A 58 58 GLY N N 58 102.757 104.915 -2.158 1
1 648 . 1 1 1 A 59 59 LYS H H 59 7.900 7.826 0.074 1
1 649 . 1 1 1 A 59 59 LYS HA H 59 4.667 4.704 -0.037 1
1 658 . 1 1 1 A 59 59 LYS C C 59 174.830 175.532 -0.702 1
1 659 . 1 1 1 A 59 59 LYS CA C 59 55.222 54.851 0.371 1
1 660 . 1 1 1 A 59 59 LYS CB C 59 35.010 34.914 0.096 1
1 664 . 1 1 1 A 59 59 LYS N N 59 121.753 120.646 1.107 1
1 665 . 1 1 1 A 60 60 VAL H H 60 8.587 8.520 0.067 1
1 666 . 1 1 1 A 60 60 VAL HA H 60 4.209 4.465 -0.256 1
1 674 . 1 1 1 A 60 60 VAL C C 60 177.380 176.117 1.263 1
1 675 . 1 1 1 A 60 60 VAL CA C 60 63.080 62.649 0.431 1
1 676 . 1 1 1 A 60 60 VAL CB C 60 32.101 32.836 -0.735 1
1 679 . 1 1 1 A 60 60 VAL N N 60 123.795 126.565 -2.770 1
1 680 . 1 1 1 A 61 61 LEU H H 61 8.876 8.729 0.147 1
1 681 . 1 1 1 A 61 61 LEU HA H 61 4.430 4.701 -0.271 1
1 691 . 1 1 1 A 61 61 LEU C C 61 176.660 176.435 0.225 1
1 692 . 1 1 1 A 61 61 LEU CA C 61 54.760 53.865 0.895 1
1 693 . 1 1 1 A 61 61 LEU CB C 61 43.060 43.015 0.045 1
1 697 . 1 1 1 A 61 61 LEU N N 61 129.083 128.347 0.736 1
1 698 . 1 1 1 A 62 62 VAL H H 62 8.759 8.357 0.402 1
1 699 . 1 1 1 A 62 62 VAL HA H 62 3.989 4.370 -0.381 1
1 707 . 1 1 1 A 62 62 VAL C C 62 178.390 177.382 1.008 1
1 708 . 1 1 1 A 62 62 VAL CA C 62 63.077 61.629 1.448 1
1 709 . 1 1 1 A 62 62 VAL CB C 62 32.440 32.629 -0.189 1
1 712 . 1 1 1 A 62 62 VAL N N 62 124.193 123.357 0.836 1
1 713 . 1 1 1 A 63 63 GLU H H 63 8.806 8.973 -0.167 1
1 714 . 1 1 1 A 63 63 GLU HA H 63 3.757 3.953 -0.196 1
1 719 . 1 1 1 A 63 63 GLU C C 63 176.500 178.126 -1.626 1
1 720 . 1 1 1 A 63 63 GLU CA C 63 60.509 59.526 0.983 1
1 721 . 1 1 1 A 63 63 GLU CB C 63 30.580 29.231 1.349 1
1 723 . 1 1 1 A 63 63 GLU N N 63 125.296 125.526 -0.230 1
1 724 . 1 1 1 A 64 64 THR H H 64 7.100 7.621 -0.521 1
1 725 . 1 1 1 A 64 64 THR HA H 64 4.279 4.258 0.021 1
1 730 . 1 1 1 A 64 64 THR C C 64 175.290 174.861 0.429 1
1 731 . 1 1 1 A 64 64 THR CA C 64 61.466 63.013 -1.547 1
1 732 . 1 1 1 A 64 64 THR CB C 64 68.840 69.277 -0.437 1
1 734 . 1 1 1 A 64 64 THR N N 64 102.822 111.288 -8.466 1
1 735 . 1 1 1 A 65 65 SER H H 65 7.749 7.744 0.005 1
1 736 . 1 1 1 A 65 65 SER HA H 65 4.676 4.832 -0.156 1
1 739 . 1 1 1 A 65 65 SER C C 65 174.300 174.203 0.097 1
1 740 . 1 1 1 A 65 65 SER CA C 65 58.060 56.985 1.075 1
1 741 . 1 1 1 A 65 65 SER CB C 65 64.950 64.191 0.759 1
1 742 . 1 1 1 A 65 65 SER N N 65 117.966 117.511 0.455 1
1 743 . 1 1 1 A 66 66 THR H H 66 8.512 8.646 -0.134 1
1 744 . 1 1 1 A 66 66 THR HA H 66 5.032 4.735 0.297 1
1 750 . 1 1 1 A 66 66 THR C C 66 177.300 176.238 1.062 1
1 751 . 1 1 1 A 66 66 THR CA C 66 60.200 60.778 -0.578 1
1 752 . 1 1 1 A 66 66 THR CB C 66 71.550 71.286 0.264 1
1 754 . 1 1 1 A 66 66 THR N N 66 111.490 114.483 -2.993 1
1 755 . 1 1 1 A 67 67 LEU H H 67 8.451 8.531 -0.080 1
1 756 . 1 1 1 A 67 67 LEU HA H 67 3.753 3.919 -0.166 1
1 766 . 1 1 1 A 67 67 LEU C C 67 179.170 178.945 0.225 1
1 767 . 1 1 1 A 67 67 LEU CA C 67 59.234 58.224 1.010 1
1 768 . 1 1 1 A 67 67 LEU CB C 67 38.897 41.430 -2.533 1
1 772 . 1 1 1 A 67 67 LEU N N 67 122.302 123.021 -0.719 1
1 773 . 1 1 1 A 68 68 LYS H H 68 8.313 7.963 0.350 1
1 774 . 1 1 1 A 68 68 LYS HA H 68 4.090 3.939 0.151 1
1 783 . 1 1 1 A 68 68 LYS C C 68 180.950 179.723 1.227 1
1 784 . 1 1 1 A 68 68 LYS CA C 68 59.620 59.590 0.030 1
1 785 . 1 1 1 A 68 68 LYS CB C 68 32.490 32.094 0.396 1
1 789 . 1 1 1 A 68 68 LYS N N 68 120.066 120.673 -0.607 1
1 790 . 1 1 1 A 69 69 GLN H H 69 8.019 7.864 0.155 1
1 791 . 1 1 1 A 69 69 GLN HA H 69 4.086 4.159 -0.073 1
1 798 . 1 1 1 A 69 69 GLN C C 69 177.840 177.282 0.558 1
1 799 . 1 1 1 A 69 69 GLN CA C 69 58.260 58.138 0.122 1
1 800 . 1 1 1 A 69 69 GLN CB C 69 28.580 28.817 -0.237 1
1 802 . 1 1 1 A 69 69 GLN N N 69 119.594 119.611 -0.017 1
1 804 . 1 1 1 A 70 70 SER H H 70 7.544 7.841 -0.297 1
1 805 . 1 1 1 A 70 70 SER HA H 70 4.517 4.600 -0.083 1
1 808 . 1 1 1 A 70 70 SER C C 70 171.870 173.123 -1.253 1
1 809 . 1 1 1 A 70 70 SER CA C 70 58.920 58.292 0.628 1
1 810 . 1 1 1 A 70 70 SER CB C 70 64.446 63.319 1.127 1
1 811 . 1 1 1 A 70 70 SER N N 70 114.028 112.007 2.021 1
1 812 . 1 1 1 A 71 71 ASP H H 71 7.882 7.972 -0.090 1
1 813 . 1 1 1 A 71 71 ASP HA H 71 4.278 4.388 -0.110 1
1 816 . 1 1 1 A 71 71 ASP C C 71 174.050 175.535 -1.485 1
1 817 . 1 1 1 A 71 71 ASP CA C 71 55.660 55.755 -0.095 1
1 818 . 1 1 1 A 71 71 ASP CB C 71 39.540 39.998 -0.458 1
1 819 . 1 1 1 A 71 71 ASP N N 71 116.055 117.897 -1.842 1
1 820 . 1 1 1 A 72 72 VAL H H 72 7.723 7.872 -0.149 1
1 821 . 1 1 1 A 72 72 VAL HA H 72 3.285 3.760 -0.475 1
1 829 . 1 1 1 A 72 72 VAL C C 72 173.980 175.832 -1.852 1
1 830 . 1 1 1 A 72 72 VAL CA C 72 62.744 61.522 1.222 1
1 831 . 1 1 1 A 72 72 VAL CB C 72 30.727 32.148 -1.421 1
1 834 . 1 1 1 A 72 72 VAL N N 72 119.423 119.501 -0.078 1
1 835 . 1 1 1 A 73 73 GLY H H 73 7.722 8.429 -0.707 1
1 836 . 1 1 1 A 73 73 GLY HA2 H 73 3.590 4.268 -0.678 1
1 837 . 1 1 1 A 73 73 GLY HA3 H 73 4.416 4.289 0.127 1
1 838 . 1 1 1 A 73 73 GLY C C 73 172.450 171.976 0.474 1
1 839 . 1 1 1 A 73 73 GLY CA C 73 42.820 44.800 -1.980 1
1 840 . 1 1 1 A 73 73 GLY N N 73 114.445 114.356 0.089 1
1 841 . 1 1 1 A 74 74 SER H H 74 8.552 8.575 -0.023 1
1 842 . 1 1 1 A 74 74 SER HA H 74 4.365 4.205 0.160 1
1 845 . 1 1 1 A 74 74 SER C C 74 177.240 175.346 1.894 1
1 846 . 1 1 1 A 74 74 SER CA C 74 60.420 59.904 0.516 1
1 847 . 1 1 1 A 74 74 SER CB C 74 63.350 62.741 0.609 1
1 848 . 1 1 1 A 74 74 SER N N 74 111.883 114.800 -2.917 1
1 849 . 1 1 1 A 75 75 GLY H H 75 9.718 9.272 0.446 1
1 850 . 1 1 1 A 75 75 GLY HA2 H 75 3.693 3.963 -0.270 1
1 851 . 1 1 1 A 75 75 GLY HA3 H 75 4.328 3.970 0.358 1
1 852 . 1 1 1 A 75 75 GLY C C 75 174.500 174.773 -0.273 1
1 853 . 1 1 1 A 75 75 GLY CA C 75 44.990 45.263 -0.273 1
1 854 . 1 1 1 A 75 75 GLY N N 75 115.986 114.767 1.219 1
1 855 . 1 1 1 A 76 76 ALA H H 76 7.939 7.819 0.120 1
1 856 . 1 1 1 A 76 76 ALA HA H 76 4.363 4.362 0.001 1
1 860 . 1 1 1 A 76 76 ALA C C 76 176.170 177.072 -0.902 1
1 861 . 1 1 1 A 76 76 ALA CA C 76 53.372 52.214 1.158 1
1 862 . 1 1 1 A 76 76 ALA CB C 76 21.400 19.200 2.200 1
1 863 . 1 1 1 A 76 76 ALA N N 76 123.830 123.909 -0.079 1
1 864 . 1 1 1 A 77 77 LYS H H 77 8.435 8.619 -0.184 1
1 865 . 1 1 1 A 77 77 LYS HA H 77 5.195 4.564 0.631 1
1 874 . 1 1 1 A 77 77 LYS C C 77 175.450 175.306 0.144 1
1 875 . 1 1 1 A 77 77 LYS CA C 77 54.930 55.666 -0.736 1
1 876 . 1 1 1 A 77 77 LYS CB C 77 33.520 32.665 0.855 1
1 880 . 1 1 1 A 77 77 LYS N N 77 120.636 123.250 -2.614 1
1 881 . 1 1 1 A 78 78 LEU H H 78 9.016 9.084 -0.068 1
1 882 . 1 1 1 A 78 78 LEU HA H 78 5.225 4.936 0.289 1
1 892 . 1 1 1 A 78 78 LEU C C 78 175.970 175.460 0.510 1
1 893 . 1 1 1 A 78 78 LEU CA C 78 53.700 53.683 0.017 1
1 894 . 1 1 1 A 78 78 LEU CB C 78 45.250 42.188 3.062 1
1 898 . 1 1 1 A 78 78 LEU N N 78 123.751 126.501 -2.750 1
1 899 . 1 1 1 A 79 79 MET H H 79 8.983 8.750 0.233 1
1 900 . 1 1 1 A 79 79 MET HA H 79 5.163 4.680 0.483 1
1 905 . 1 1 1 A 79 79 MET C C 79 173.970 175.134 -1.164 1
1 906 . 1 1 1 A 79 79 MET CA C 79 55.508 55.398 0.110 1
1 907 . 1 1 1 A 79 79 MET CB C 79 35.180 33.556 1.624 1
1 909 . 1 1 1 A 79 79 MET N N 79 120.990 125.283 -4.293 1
1 910 . 1 1 1 A 80 80 LEU H H 80 8.905 8.612 0.293 1
1 911 . 1 1 1 A 80 80 LEU HA H 80 5.235 5.157 0.078 1
1 921 . 1 1 1 A 80 80 LEU C C 80 174.730 175.092 -0.362 1
1 922 . 1 1 1 A 80 80 LEU CA C 80 54.071 53.431 0.640 1
1 923 . 1 1 1 A 80 80 LEU CB C 80 43.540 44.311 -0.771 1
1 927 . 1 1 1 A 81 81 MET H H 81 9.229 8.923 0.306 1
1 928 . 1 1 1 A 81 81 MET HA H 81 4.960 4.579 0.381 1
1 936 . 1 1 1 A 81 81 MET C C 81 174.450 174.736 -0.286 1
1 937 . 1 1 1 A 81 81 MET CA C 81 53.830 54.954 -1.124 1
1 938 . 1 1 1 A 81 81 MET CB C 81 34.810 31.922 2.888 1
1 941 . 1 1 1 A 81 81 MET N N 81 125.712 127.735 -2.023 1
1 942 . 1 1 1 A 82 82 ALA H H 82 8.891 8.311 0.580 1
1 943 . 1 1 1 A 82 82 ALA HA H 82 5.043 5.085 -0.042 1
1 947 . 1 1 1 A 82 82 ALA C C 82 177.470 175.000 2.470 1
1 948 . 1 1 1 A 82 82 ALA CA C 82 51.010 50.703 0.307 1
1 949 . 1 1 1 A 82 82 ALA CB C 82 21.124 22.665 -1.541 1
1 950 . 1 1 1 A 82 82 ALA N N 82 126.315 128.449 -2.134 1
1 951 . 1 1 1 A 83 83 SER H H 83 8.719 8.867 -0.148 1
1 952 . 1 1 1 A 83 83 SER HA H 83 4.497 5.084 -0.587 1
1 955 . 1 1 1 A 83 83 SER C C 83 174.360 174.442 -0.082 1
1 956 . 1 1 1 A 83 83 SER CA C 83 58.534 56.499 2.035 1
1 957 . 1 1 1 A 83 83 SER CB C 83 64.140 64.810 -0.670 1
1 958 . 1 1 1 A 83 83 SER N N 83 117.987 114.033 3.954 1
1 959 . 1 1 1 A 84 84 GLN H H 84 8.629 9.073 -0.444 1
1 960 . 1 1 1 A 84 84 GLN HA H 84 4.449 4.225 0.224 1
1 967 . 1 1 1 A 84 84 GLN C C 84 175.370 176.068 -0.698 1
1 968 . 1 1 1 A 84 84 GLN CA C 84 55.890 55.952 -0.062 1
1 969 . 1 1 1 A 84 84 GLN CB C 84 29.860 30.001 -0.141 1
1 971 . 1 1 1 A 84 84 GLN N N 84 122.746 127.768 -5.022 1
1 1 . 2 1 1 A 10 10 HIS HA H 10 4.506 4.167 0.339 1
1 4 . 2 1 1 A 10 10 HIS C C 10 176.040 175.531 0.509 1
1 5 . 2 1 1 A 10 10 HIS CA C 10 55.850 58.957 -3.107 1
1 6 . 2 1 1 A 10 10 HIS CB C 10 33.250 30.339 2.911 1
1 7 . 2 1 1 A 11 11 SER H H 11 8.462 7.628 0.834 1
1 8 . 2 1 1 A 11 11 SER HA H 11 4.516 4.214 0.302 1
1 10 . 2 1 1 A 11 11 SER C C 11 174.050 173.842 0.208 1
1 11 . 2 1 1 A 11 11 SER CA C 11 59.054 58.722 0.332 1
1 12 . 2 1 1 A 11 11 SER CB C 11 63.850 63.665 0.185 1
1 13 . 2 1 1 A 11 11 SER N N 11 117.900 115.740 2.160 1
1 14 . 2 1 1 A 12 12 THR H H 12 7.923 8.437 -0.514 1
1 15 . 2 1 1 A 12 12 THR HA H 12 4.581 4.803 -0.222 1
1 20 . 2 1 1 A 12 12 THR C C 12 174.140 174.356 -0.216 1
1 21 . 2 1 1 A 12 12 THR CA C 12 61.245 60.805 0.440 1
1 22 . 2 1 1 A 12 12 THR CB C 12 71.940 69.716 2.224 1
1 24 . 2 1 1 A 12 12 THR N N 12 112.783 115.494 -2.711 1
1 25 . 2 1 1 A 13 13 ILE H H 13 9.201 8.737 0.464 1
1 26 . 2 1 1 A 13 13 ILE HA H 13 4.532 4.666 -0.134 1
1 36 . 2 1 1 A 13 13 ILE C C 13 173.930 175.448 -1.518 1
1 37 . 2 1 1 A 13 13 ILE CA C 13 59.720 60.088 -0.368 1
1 38 . 2 1 1 A 13 13 ILE CB C 13 41.597 39.030 2.567 1
1 42 . 2 1 1 A 13 13 ILE N N 13 117.602 122.883 -5.281 1
1 43 . 2 1 1 A 14 14 LYS H H 14 8.077 8.407 -0.330 1
1 44 . 2 1 1 A 14 14 LYS HA H 14 5.110 5.021 0.089 1
1 53 . 2 1 1 A 14 14 LYS C C 14 175.360 175.457 -0.097 1
1 54 . 2 1 1 A 14 14 LYS CA C 14 55.200 55.810 -0.610 1
1 55 . 2 1 1 A 14 14 LYS CB C 14 33.130 33.447 -0.317 1
1 59 . 2 1 1 A 14 14 LYS N N 14 122.699 123.712 -1.013 1
1 60 . 2 1 1 A 15 15 LEU H H 15 8.953 9.241 -0.288 1
1 61 . 2 1 1 A 15 15 LEU HA H 15 5.025 4.976 0.049 1
1 71 . 2 1 1 A 15 15 LEU C C 15 176.400 175.597 0.803 1
1 72 . 2 1 1 A 15 15 LEU CA C 15 53.620 53.517 0.103 1
1 73 . 2 1 1 A 15 15 LEU CB C 15 45.380 44.668 0.712 1
1 77 . 2 1 1 A 15 15 LEU N N 15 121.650 126.410 -4.760 1
1 78 . 2 1 1 A 16 16 THR H H 16 8.412 8.655 -0.243 1
1 79 . 2 1 1 A 16 16 THR HA H 16 5.075 4.785 0.290 1
1 84 . 2 1 1 A 16 16 THR C C 16 173.070 172.788 0.282 1
1 85 . 2 1 1 A 16 16 THR CA C 16 61.380 62.045 -0.665 1
1 86 . 2 1 1 A 16 16 THR CB C 16 71.700 69.334 2.366 1
1 88 . 2 1 1 A 16 16 THR N N 16 114.701 120.936 -6.235 1
1 89 . 2 1 1 A 17 17 VAL H H 17 9.083 8.747 0.336 1
1 90 . 2 1 1 A 17 17 VAL HA H 17 4.600 4.677 -0.077 1
1 98 . 2 1 1 A 17 17 VAL C C 17 174.570 174.329 0.241 1
1 99 . 2 1 1 A 17 17 VAL CA C 17 61.005 60.030 0.975 1
1 100 . 2 1 1 A 17 17 VAL CB C 17 33.600 33.883 -0.283 1
1 103 . 2 1 1 A 17 17 VAL N N 17 125.565 128.119 -2.554 1
1 104 . 2 1 1 A 18 18 LYS H H 18 9.183 9.218 -0.035 1
1 105 . 2 1 1 A 18 18 LYS HA H 18 5.156 4.641 0.515 1
1 114 . 2 1 1 A 18 18 LYS C C 18 175.150 174.658 0.492 1
1 115 . 2 1 1 A 18 18 LYS CA C 18 54.630 55.425 -0.795 1
1 116 . 2 1 1 A 18 18 LYS CB C 18 33.217 31.712 1.505 1
1 120 . 2 1 1 A 18 18 LYS N N 18 129.200 127.823 1.377 1
1 121 . 2 1 1 A 19 19 PHE H H 19 8.927 9.065 -0.138 1
1 122 . 2 1 1 A 19 19 PHE HA H 19 5.377 4.854 0.523 1
1 129 . 2 1 1 A 19 19 PHE C C 19 175.850 175.175 0.675 1
1 130 . 2 1 1 A 19 19 PHE CA C 19 55.330 56.925 -1.595 1
1 131 . 2 1 1 A 19 19 PHE CB C 19 41.690 39.120 2.570 1
1 136 . 2 1 1 A 19 19 PHE N N 19 126.659 126.740 -0.081 1
1 139 . 2 1 1 A 20 20 GLY H H 20 9.275 8.754 0.521 1
1 140 . 2 1 1 A 20 20 GLY HA2 H 20 3.580 3.867 -0.287 1
1 141 . 2 1 1 A 20 20 GLY HA3 H 20 3.578 3.921 -0.343 1
1 142 . 2 1 1 A 20 20 GLY C C 20 175.090 175.338 -0.248 1
1 143 . 2 1 1 A 20 20 GLY CA C 20 47.070 47.020 0.050 1
1 144 . 2 1 1 A 20 20 GLY N N 20 119.629 114.521 5.108 1
1 145 . 2 1 1 A 21 21 GLY H H 21 8.819 8.634 0.185 1
1 146 . 2 1 1 A 21 21 GLY HA2 H 21 3.942 3.944 -0.002 1
1 147 . 2 1 1 A 21 21 GLY HA3 H 21 3.942 3.946 -0.004 1
1 148 . 2 1 1 A 21 21 GLY C C 21 173.890 174.008 -0.118 1
1 149 . 2 1 1 A 21 21 GLY CA C 21 45.290 45.396 -0.106 1
1 150 . 2 1 1 A 21 21 GLY N N 21 111.500 106.623 4.877 1
1 151 . 2 1 1 A 22 22 LYS H H 22 7.975 7.729 0.246 1
1 152 . 2 1 1 A 22 22 LYS HA H 22 4.616 4.334 0.282 1
1 161 . 2 1 1 A 22 22 LYS C C 22 175.450 175.868 -0.418 1
1 162 . 2 1 1 A 22 22 LYS CA C 22 55.514 55.565 -0.051 1
1 163 . 2 1 1 A 22 22 LYS CB C 22 34.790 31.771 3.019 1
1 167 . 2 1 1 A 22 22 LYS N N 22 121.832 121.164 0.668 1
1 168 . 2 1 1 A 23 23 SER H H 23 8.722 8.743 -0.021 1
1 169 . 2 1 1 A 23 23 SER HA H 23 4.841 5.071 -0.230 1
1 172 . 2 1 1 A 23 23 SER C C 23 173.910 173.639 0.271 1
1 173 . 2 1 1 A 23 23 SER CA C 23 58.344 57.652 0.692 1
1 174 . 2 1 1 A 23 23 SER CB C 23 64.237 62.871 1.366 1
1 175 . 2 1 1 A 23 23 SER N N 23 119.004 120.192 -1.188 1
1 176 . 2 1 1 A 24 24 ILE H H 24 9.444 8.746 0.698 1
1 177 . 2 1 1 A 24 24 ILE HA H 24 4.502 4.575 -0.073 1
1 187 . 2 1 1 A 24 24 ILE C C 24 173.590 175.013 -1.423 1
1 188 . 2 1 1 A 24 24 ILE CA C 24 59.145 58.540 0.605 1
1 189 . 2 1 1 A 24 24 ILE CB C 24 40.620 37.921 2.699 1
1 193 . 2 1 1 A 24 24 ILE N N 24 129.205 127.221 1.984 1
1 194 . 2 1 1 A 25 25 PRO HA H 25 5.179 4.930 0.249 1
1 201 . 2 1 1 A 25 25 PRO C C 25 176.750 176.174 0.576 1
1 202 . 2 1 1 A 25 25 PRO CA C 25 61.740 61.894 -0.154 1
1 203 . 2 1 1 A 25 25 PRO CB C 25 32.010 31.556 0.454 1
1 206 . 2 1 1 A 26 26 LEU H H 26 8.720 8.950 -0.230 1
1 207 . 2 1 1 A 26 26 LEU HA H 26 4.731 5.016 -0.285 1
1 217 . 2 1 1 A 26 26 LEU C C 26 175.450 175.724 -0.274 1
1 218 . 2 1 1 A 26 26 LEU CA C 26 54.731 53.301 1.430 1
1 219 . 2 1 1 A 26 26 LEU CB C 26 47.766 45.043 2.723 1
1 223 . 2 1 1 A 26 26 LEU N N 26 122.986 124.647 -1.661 1
1 224 . 2 1 1 A 27 27 SER H H 27 8.404 8.800 -0.396 1
1 225 . 2 1 1 A 27 27 SER HA H 27 5.504 5.602 -0.098 1
1 228 . 2 1 1 A 27 27 SER C C 27 174.498 173.287 1.211 1
1 229 . 2 1 1 A 27 27 SER CA C 27 57.000 57.613 -0.613 1
1 230 . 2 1 1 A 27 27 SER CB C 27 63.850 65.270 -1.420 1
1 231 . 2 1 1 A 27 27 SER N N 27 118.151 114.373 3.778 1
1 232 . 2 1 1 A 28 28 VAL H H 28 8.743 8.673 0.070 1
1 233 . 2 1 1 A 28 28 VAL HA H 28 4.792 5.032 -0.240 1
1 241 . 2 1 1 A 28 28 VAL C C 28 174.250 174.439 -0.189 1
1 242 . 2 1 1 A 28 28 VAL CA C 28 58.792 58.894 -0.102 1
1 243 . 2 1 1 A 28 28 VAL CB C 28 36.600 35.237 1.363 1
1 246 . 2 1 1 A 28 28 VAL N N 28 118.097 121.626 -3.529 1
1 247 . 2 1 1 A 29 29 SER H H 29 8.694 8.656 0.038 1
1 248 . 2 1 1 A 29 29 SER HA H 29 4.960 4.754 0.206 1
1 251 . 2 1 1 A 29 29 SER C C 29 175.159 174.738 0.421 1
1 252 . 2 1 1 A 29 29 SER CA C 29 55.925 56.516 -0.591 1
1 253 . 2 1 1 A 29 29 SER CB C 29 64.080 63.092 0.988 1
1 254 . 2 1 1 A 29 29 SER N N 29 116.965 115.399 1.566 1
1 255 . 2 1 1 A 30 30 PRO HA H 30 4.277 4.507 -0.230 1
1 262 . 2 1 1 A 30 30 PRO C C 30 175.705 177.301 -1.596 1
1 263 . 2 1 1 A 30 30 PRO CA C 30 64.825 64.205 0.620 1
1 264 . 2 1 1 A 30 30 PRO CB C 30 32.074 31.674 0.400 1
1 267 . 2 1 1 A 31 31 ASP H H 31 7.818 8.540 -0.722 1
1 268 . 2 1 1 A 31 31 ASP HA H 31 4.725 4.402 0.323 1
1 271 . 2 1 1 A 31 31 ASP C C 31 175.040 176.902 -1.862 1
1 272 . 2 1 1 A 31 31 ASP CA C 31 54.160 56.014 -1.854 1
1 273 . 2 1 1 A 31 31 ASP CB C 31 41.590 41.055 0.535 1
1 274 . 2 1 1 A 31 31 ASP N N 31 114.503 118.213 -3.710 1
1 275 . 2 1 1 A 32 32 CYS H H 32 7.657 7.481 0.176 1
1 276 . 2 1 1 A 32 32 CYS HA H 32 4.483 4.567 -0.084 1
1 279 . 2 1 1 A 32 32 CYS C C 32 174.805 174.850 -0.045 1
1 280 . 2 1 1 A 32 32 CYS CA C 32 59.510 59.157 0.353 1
1 281 . 2 1 1 A 32 32 CYS CB C 32 28.010 28.659 -0.649 1
1 282 . 2 1 1 A 32 32 CYS N N 32 119.852 118.640 1.212 1
1 283 . 2 1 1 A 33 33 THR H H 33 8.992 8.593 0.399 1
1 284 . 2 1 1 A 33 33 THR HA H 33 4.861 4.802 0.059 1
1 289 . 2 1 1 A 33 33 THR C C 33 176.350 176.366 -0.016 1
1 290 . 2 1 1 A 33 33 THR CA C 33 61.165 60.140 1.025 1
1 291 . 2 1 1 A 33 33 THR CB C 33 71.968 71.409 0.559 1
1 293 . 2 1 1 A 33 33 THR N N 33 115.278 113.620 1.658 1
1 294 . 2 1 1 A 34 34 VAL H H 34 8.558 8.458 0.100 1
1 295 . 2 1 1 A 34 34 VAL HA H 34 3.384 3.814 -0.430 1
1 303 . 2 1 1 A 34 34 VAL C C 34 177.880 177.655 0.225 1
1 304 . 2 1 1 A 34 34 VAL CA C 34 67.050 65.435 1.615 1
1 305 . 2 1 1 A 34 34 VAL CB C 34 31.303 31.458 -0.155 1
1 308 . 2 1 1 A 34 34 VAL N N 34 123.274 119.769 3.505 1
1 309 . 2 1 1 A 35 35 LYS H H 35 8.316 7.969 0.347 1
1 310 . 2 1 1 A 35 35 LYS HA H 35 3.758 3.922 -0.164 1
1 319 . 2 1 1 A 35 35 LYS C C 35 178.180 177.990 0.190 1
1 320 . 2 1 1 A 35 35 LYS CA C 35 60.812 58.936 1.876 1
1 321 . 2 1 1 A 35 35 LYS CB C 35 32.610 32.080 0.530 1
1 325 . 2 1 1 A 35 35 LYS N N 35 119.813 120.824 -1.011 1
1 326 . 2 1 1 A 36 36 ASP H H 36 7.959 8.001 -0.042 1
1 327 . 2 1 1 A 36 36 ASP HA H 36 4.414 4.482 -0.068 1
1 330 . 2 1 1 A 36 36 ASP C C 36 179.395 178.126 1.269 1
1 331 . 2 1 1 A 36 36 ASP CA C 36 57.360 56.368 0.992 1
1 332 . 2 1 1 A 36 36 ASP CB C 36 40.350 41.331 -0.981 1
1 333 . 2 1 1 A 36 36 ASP N N 36 120.728 119.518 1.210 1
1 334 . 2 1 1 A 37 37 LEU H H 37 8.147 7.638 0.509 1
1 335 . 2 1 1 A 37 37 LEU HA H 37 3.976 4.134 -0.158 1
1 345 . 2 1 1 A 37 37 LEU C C 37 178.630 179.700 -1.070 1
1 346 . 2 1 1 A 37 37 LEU CA C 37 58.210 57.517 0.693 1
1 347 . 2 1 1 A 37 37 LEU CB C 37 41.470 41.691 -0.221 1
1 351 . 2 1 1 A 37 37 LEU N N 37 123.841 118.841 5.000 1
1 352 . 2 1 1 A 38 38 LYS H H 38 8.308 8.181 0.127 1
1 353 . 2 1 1 A 38 38 LYS HA H 38 4.505 4.619 -0.114 1
1 362 . 2 1 1 A 38 38 LYS C C 38 180.780 179.090 1.690 1
1 363 . 2 1 1 A 38 38 LYS CA C 38 59.910 59.209 0.701 1
1 364 . 2 1 1 A 38 38 LYS CB C 38 34.270 32.204 2.066 1
1 368 . 2 1 1 A 38 38 LYS N N 38 117.736 118.748 -1.012 1
1 369 . 2 1 1 A 39 39 SER H H 39 7.952 7.812 0.140 1
1 370 . 2 1 1 A 39 39 SER HA H 39 4.230 4.318 -0.088 1
1 373 . 2 1 1 A 39 39 SER C C 39 177.240 176.651 0.589 1
1 374 . 2 1 1 A 39 39 SER CA C 39 62.440 60.694 1.746 1
1 375 . 2 1 1 A 39 39 SER CB C 39 62.670 62.803 -0.133 1
1 376 . 2 1 1 A 39 39 SER N N 39 115.100 114.801 0.299 1
1 377 . 2 1 1 A 40 40 GLN H H 40 7.899 7.481 0.418 1
1 378 . 2 1 1 A 40 40 GLN HA H 40 4.125 4.285 -0.160 1
1 385 . 2 1 1 A 40 40 GLN C C 40 178.330 178.272 0.058 1
1 386 . 2 1 1 A 40 40 GLN CA C 40 59.045 58.115 0.930 1
1 387 . 2 1 1 A 40 40 GLN CB C 40 28.893 29.172 -0.279 1
1 389 . 2 1 1 A 40 40 GLN N N 40 121.600 121.264 0.336 1
1 391 . 2 1 1 A 41 41 LEU H H 41 8.010 8.427 -0.417 1
1 392 . 2 1 1 A 41 41 LEU HA H 41 4.130 4.057 0.073 1
1 402 . 2 1 1 A 41 41 LEU C C 41 179.980 179.307 0.673 1
1 403 . 2 1 1 A 41 41 LEU CA C 41 56.472 57.758 -1.286 1
1 404 . 2 1 1 A 41 41 LEU CB C 41 42.660 40.713 1.947 1
1 408 . 2 1 1 A 41 41 LEU N N 41 116.657 119.429 -2.772 1
1 409 . 2 1 1 A 42 42 GLN H H 42 7.903 7.873 0.030 1
1 410 . 2 1 1 A 42 42 GLN HA H 42 4.180 4.316 -0.136 1
1 417 . 2 1 1 A 42 42 GLN C C 42 174.350 174.504 -0.154 1
1 418 . 2 1 1 A 42 42 GLN CA C 42 61.300 60.882 0.418 1
1 419 . 2 1 1 A 42 42 GLN CB C 42 25.250 26.555 -1.305 1
1 421 . 2 1 1 A 42 42 GLN N N 42 125.104 120.529 4.575 1
1 423 . 2 1 1 A 43 43 PRO HA H 43 4.410 4.424 -0.014 1
1 430 . 2 1 1 A 43 43 PRO C C 43 177.270 178.363 -1.093 1
1 431 . 2 1 1 A 43 43 PRO CA C 43 65.130 65.082 0.048 1
1 432 . 2 1 1 A 43 43 PRO CB C 43 31.208 31.366 -0.158 1
1 435 . 2 1 1 A 44 44 ILE H H 44 6.568 7.806 -1.238 1
1 436 . 2 1 1 A 44 44 ILE HA H 44 3.959 3.977 -0.018 1
1 446 . 2 1 1 A 44 44 ILE C C 44 177.060 177.790 -0.730 1
1 447 . 2 1 1 A 44 44 ILE CA C 44 63.670 63.644 0.026 1
1 448 . 2 1 1 A 44 44 ILE CB C 44 40.270 38.651 1.619 1
1 452 . 2 1 1 A 44 44 ILE N N 44 114.765 116.765 -2.000 1
1 453 . 2 1 1 A 45 45 THR H H 45 7.826 7.635 0.191 1
1 454 . 2 1 1 A 45 45 THR HA H 45 4.202 4.456 -0.254 1
1 459 . 2 1 1 A 45 45 THR C C 45 174.990 175.005 -0.015 1
1 460 . 2 1 1 A 45 45 THR CA C 45 62.696 61.215 1.481 1
1 461 . 2 1 1 A 45 45 THR CB C 45 71.682 70.298 1.384 1
1 463 . 2 1 1 A 45 45 THR N N 45 107.323 108.682 -1.359 1
1 464 . 2 1 1 A 46 46 ASN H H 46 8.660 8.328 0.332 1
1 465 . 2 1 1 A 46 46 ASN HA H 46 4.381 4.445 -0.064 1
1 470 . 2 1 1 A 46 46 ASN C C 46 173.900 174.612 -0.712 1
1 471 . 2 1 1 A 46 46 ASN CA C 46 54.890 54.795 0.095 1
1 472 . 2 1 1 A 46 46 ASN CB C 46 38.207 37.181 1.026 1
1 473 . 2 1 1 A 46 46 ASN N N 46 117.586 116.475 1.111 1
1 475 . 2 1 1 A 47 47 VAL H H 47 7.517 7.891 -0.374 1
1 476 . 2 1 1 A 47 47 VAL HA H 47 4.134 4.075 0.059 1
1 484 . 2 1 1 A 47 47 VAL C C 47 176.140 175.203 0.937 1
1 485 . 2 1 1 A 47 47 VAL CA C 47 61.763 62.605 -0.842 1
1 486 . 2 1 1 A 47 47 VAL CB C 47 32.925 31.989 0.936 1
1 489 . 2 1 1 A 47 47 VAL N N 47 119.901 120.177 -0.276 1
1 490 . 2 1 1 A 48 48 LEU H H 48 8.650 8.437 0.213 1
1 491 . 2 1 1 A 48 48 LEU HA H 48 4.194 4.353 -0.159 1
1 501 . 2 1 1 A 48 48 LEU C C 48 177.110 177.098 0.012 1
1 502 . 2 1 1 A 48 48 LEU CA C 48 54.491 53.665 0.826 1
1 503 . 2 1 1 A 48 48 LEU CB C 48 41.171 41.246 -0.075 1
1 507 . 2 1 1 A 48 48 LEU N N 48 128.467 127.397 1.070 1
1 508 . 2 1 1 A 49 49 PRO HA H 49 3.923 4.365 -0.442 1
1 515 . 2 1 1 A 49 49 PRO C C 49 178.430 177.984 0.446 1
1 516 . 2 1 1 A 49 49 PRO CA C 49 67.000 64.733 2.267 1
1 517 . 2 1 1 A 49 49 PRO CB C 49 32.456 31.831 0.625 1
1 520 . 2 1 1 A 50 50 ARG H H 50 8.331 8.104 0.227 1
1 521 . 2 1 1 A 50 50 ARG HA H 50 4.239 4.068 0.171 1
1 528 . 2 1 1 A 50 50 ARG C C 50 176.940 178.735 -1.795 1
1 529 . 2 1 1 A 50 50 ARG CA C 50 58.130 59.174 -1.044 1
1 530 . 2 1 1 A 50 50 ARG CB C 50 29.200 29.669 -0.469 1
1 533 . 2 1 1 A 50 50 ARG N N 50 114.500 118.316 -3.816 1
1 534 . 2 1 1 A 51 51 GLY H H 51 8.199 7.897 0.302 1
1 535 . 2 1 1 A 51 51 GLY HA2 H 51 3.605 3.941 -0.336 1
1 536 . 2 1 1 A 51 51 GLY HA3 H 51 4.335 3.952 0.383 1
1 537 . 2 1 1 A 51 51 GLY C C 51 173.340 174.924 -1.584 1
1 538 . 2 1 1 A 51 51 GLY CA C 51 44.750 47.029 -2.279 1
1 539 . 2 1 1 A 51 51 GLY N N 51 107.942 107.314 0.628 1
1 540 . 2 1 1 A 52 52 GLN H H 52 7.475 7.816 -0.341 1
1 541 . 2 1 1 A 52 52 GLN HA H 52 4.315 4.268 0.047 1
1 548 . 2 1 1 A 52 52 GLN C C 52 175.770 174.769 1.001 1
1 549 . 2 1 1 A 52 52 GLN CA C 52 56.023 55.140 0.883 1
1 550 . 2 1 1 A 52 52 GLN CB C 52 31.494 28.603 2.891 1
1 552 . 2 1 1 A 52 52 GLN N N 52 119.769 119.193 0.576 1
1 554 . 2 1 1 A 53 53 LYS H H 53 8.586 8.542 0.044 1
1 555 . 2 1 1 A 53 53 LYS HA H 53 4.500 4.627 -0.127 1
1 564 . 2 1 1 A 53 53 LYS C C 53 174.080 175.413 -1.333 1
1 565 . 2 1 1 A 53 53 LYS CA C 53 55.950 54.943 1.007 1
1 566 . 2 1 1 A 53 53 LYS CB C 53 34.690 32.252 2.438 1
1 570 . 2 1 1 A 53 53 LYS N N 53 123.759 125.425 -1.666 1
1 571 . 2 1 1 A 54 54 LEU H H 54 8.900 8.614 0.286 1
1 572 . 2 1 1 A 54 54 LEU HA H 54 5.271 4.672 0.599 1
1 582 . 2 1 1 A 54 54 LEU C C 54 174.940 175.994 -1.054 1
1 583 . 2 1 1 A 54 54 LEU CA C 54 53.250 54.532 -1.282 1
1 584 . 2 1 1 A 54 54 LEU CB C 54 45.042 40.875 4.167 1
1 588 . 2 1 1 A 54 54 LEU N N 54 126.200 125.754 0.446 1
1 589 . 2 1 1 A 55 55 ILE H H 55 9.330 9.062 0.268 1
1 590 . 2 1 1 A 55 55 ILE HA H 55 4.886 5.058 -0.172 1
1 600 . 2 1 1 A 55 55 ILE C C 55 175.623 174.499 1.124 1
1 601 . 2 1 1 A 55 55 ILE CA C 55 59.402 60.303 -0.901 1
1 602 . 2 1 1 A 55 55 ILE CB C 55 40.270 39.929 0.341 1
1 606 . 2 1 1 A 55 55 ILE N N 55 123.589 125.980 -2.391 1
1 607 . 2 1 1 A 56 56 PHE H H 56 9.241 9.405 -0.164 1
1 608 . 2 1 1 A 56 56 PHE HA H 56 5.212 4.937 0.275 1
1 615 . 2 1 1 A 56 56 PHE C C 56 174.600 174.792 -0.192 1
1 616 . 2 1 1 A 56 56 PHE CA C 56 55.936 57.285 -1.349 1
1 617 . 2 1 1 A 56 56 PHE CB C 56 42.830 42.160 0.670 1
1 622 . 2 1 1 A 56 56 PHE N N 56 127.423 127.568 -0.145 1
1 625 . 2 1 1 A 57 57 LYS H H 57 9.307 9.486 -0.179 1
1 626 . 2 1 1 A 57 57 LYS HA H 57 3.630 3.544 0.086 1
1 635 . 2 1 1 A 57 57 LYS C C 57 176.620 176.680 -0.060 1
1 636 . 2 1 1 A 57 57 LYS CA C 57 57.495 57.184 0.311 1
1 637 . 2 1 1 A 57 57 LYS CB C 57 30.100 29.599 0.501 1
1 641 . 2 1 1 A 57 57 LYS N N 57 128.612 128.128 0.484 1
1 642 . 2 1 1 A 58 58 GLY H H 58 8.288 8.538 -0.250 1
1 643 . 2 1 1 A 58 58 GLY HA2 H 58 3.487 3.812 -0.325 1
1 644 . 2 1 1 A 58 58 GLY HA3 H 58 4.098 3.825 0.273 1
1 645 . 2 1 1 A 58 58 GLY C C 58 173.568 173.663 -0.095 1
1 646 . 2 1 1 A 58 58 GLY CA C 58 45.475 45.336 0.139 1
1 647 . 2 1 1 A 58 58 GLY N N 58 102.757 104.946 -2.189 1
1 648 . 2 1 1 A 59 59 LYS H H 59 7.900 7.476 0.424 1
1 649 . 2 1 1 A 59 59 LYS HA H 59 4.667 4.737 -0.070 1
1 658 . 2 1 1 A 59 59 LYS C C 59 174.830 175.369 -0.539 1
1 659 . 2 1 1 A 59 59 LYS CA C 59 55.222 54.666 0.556 1
1 660 . 2 1 1 A 59 59 LYS CB C 59 35.010 35.355 -0.345 1
1 664 . 2 1 1 A 59 59 LYS N N 59 121.753 121.178 0.575 1
1 665 . 2 1 1 A 60 60 VAL H H 60 8.587 8.599 -0.012 1
1 666 . 2 1 1 A 60 60 VAL HA H 60 4.209 4.583 -0.374 1
1 674 . 2 1 1 A 60 60 VAL C C 60 177.380 176.218 1.162 1
1 675 . 2 1 1 A 60 60 VAL CA C 60 63.080 62.493 0.587 1
1 676 . 2 1 1 A 60 60 VAL CB C 60 32.101 33.091 -0.990 1
1 679 . 2 1 1 A 60 60 VAL N N 60 123.795 125.589 -1.794 1
1 680 . 2 1 1 A 61 61 LEU H H 61 8.876 8.673 0.203 1
1 681 . 2 1 1 A 61 61 LEU HA H 61 4.430 4.410 0.020 1
1 691 . 2 1 1 A 61 61 LEU C C 61 176.660 177.226 -0.566 1
1 692 . 2 1 1 A 61 61 LEU CA C 61 54.760 54.745 0.015 1
1 693 . 2 1 1 A 61 61 LEU CB C 61 43.060 42.140 0.920 1
1 697 . 2 1 1 A 61 61 LEU N N 61 129.083 128.574 0.509 1
1 698 . 2 1 1 A 62 62 VAL H H 62 8.759 8.634 0.125 1
1 699 . 2 1 1 A 62 62 VAL HA H 62 3.989 3.973 0.016 1
1 707 . 2 1 1 A 62 62 VAL C C 62 178.390 175.831 2.559 1
1 708 . 2 1 1 A 62 62 VAL CA C 62 63.077 63.626 -0.549 1
1 709 . 2 1 1 A 62 62 VAL CB C 62 32.440 31.855 0.585 1
1 712 . 2 1 1 A 62 62 VAL N N 62 124.193 124.266 -0.073 1
1 713 . 2 1 1 A 63 63 GLU H H 63 8.806 8.875 -0.069 1
1 714 . 2 1 1 A 63 63 GLU HA H 63 3.757 4.083 -0.326 1
1 719 . 2 1 1 A 63 63 GLU C C 63 176.500 177.727 -1.227 1
1 720 . 2 1 1 A 63 63 GLU CA C 63 60.509 59.582 0.927 1
1 721 . 2 1 1 A 63 63 GLU CB C 63 30.580 29.232 1.348 1
1 723 . 2 1 1 A 63 63 GLU N N 63 125.296 125.729 -0.433 1
1 724 . 2 1 1 A 64 64 THR H H 64 7.100 7.557 -0.457 1
1 725 . 2 1 1 A 64 64 THR HA H 64 4.279 4.311 -0.032 1
1 730 . 2 1 1 A 64 64 THR C C 64 175.290 174.336 0.954 1
1 731 . 2 1 1 A 64 64 THR CA C 64 61.466 62.326 -0.860 1
1 732 . 2 1 1 A 64 64 THR CB C 64 68.840 69.473 -0.633 1
1 734 . 2 1 1 A 64 64 THR N N 64 102.822 110.224 -7.402 1
1 735 . 2 1 1 A 65 65 SER H H 65 7.749 7.882 -0.133 1
1 736 . 2 1 1 A 65 65 SER HA H 65 4.676 5.045 -0.369 1
1 739 . 2 1 1 A 65 65 SER C C 65 174.300 173.977 0.323 1
1 740 . 2 1 1 A 65 65 SER CA C 65 58.060 56.990 1.070 1
1 741 . 2 1 1 A 65 65 SER CB C 65 64.950 64.401 0.549 1
1 742 . 2 1 1 A 65 65 SER N N 65 117.966 118.933 -0.967 1
1 743 . 2 1 1 A 66 66 THR H H 66 8.512 8.722 -0.210 1
1 744 . 2 1 1 A 66 66 THR HA H 66 5.032 4.977 0.055 1
1 750 . 2 1 1 A 66 66 THR C C 66 177.300 176.362 0.938 1
1 751 . 2 1 1 A 66 66 THR CA C 66 60.200 60.879 -0.679 1
1 752 . 2 1 1 A 66 66 THR CB C 66 71.550 71.246 0.304 1
1 754 . 2 1 1 A 66 66 THR N N 66 111.490 116.759 -5.269 1
1 755 . 2 1 1 A 67 67 LEU H H 67 8.451 8.542 -0.091 1
1 756 . 2 1 1 A 67 67 LEU HA H 67 3.753 3.890 -0.137 1
1 766 . 2 1 1 A 67 67 LEU C C 67 179.170 178.998 0.172 1
1 767 . 2 1 1 A 67 67 LEU CA C 67 59.234 58.240 0.994 1
1 768 . 2 1 1 A 67 67 LEU CB C 67 38.897 41.517 -2.620 1
1 772 . 2 1 1 A 67 67 LEU N N 67 122.302 122.944 -0.642 1
1 773 . 2 1 1 A 68 68 LYS H H 68 8.313 7.962 0.351 1
1 774 . 2 1 1 A 68 68 LYS HA H 68 4.090 3.927 0.163 1
1 783 . 2 1 1 A 68 68 LYS C C 68 180.950 178.862 2.088 1
1 784 . 2 1 1 A 68 68 LYS CA C 68 59.620 59.633 -0.013 1
1 785 . 2 1 1 A 68 68 LYS CB C 68 32.490 32.354 0.136 1
1 789 . 2 1 1 A 68 68 LYS N N 68 120.066 120.601 -0.535 1
1 790 . 2 1 1 A 69 69 GLN H H 69 8.019 8.129 -0.110 1
1 791 . 2 1 1 A 69 69 GLN HA H 69 4.086 4.047 0.039 1
1 798 . 2 1 1 A 69 69 GLN C C 69 177.840 177.612 0.228 1
1 799 . 2 1 1 A 69 69 GLN CA C 69 58.260 59.083 -0.823 1
1 800 . 2 1 1 A 69 69 GLN CB C 69 28.580 28.084 0.496 1
1 802 . 2 1 1 A 69 69 GLN N N 69 119.594 118.874 0.720 1
1 804 . 2 1 1 A 70 70 SER H H 70 7.544 7.834 -0.290 1
1 805 . 2 1 1 A 70 70 SER HA H 70 4.517 4.581 -0.064 1
1 808 . 2 1 1 A 70 70 SER C C 70 171.870 172.932 -1.062 1
1 809 . 2 1 1 A 70 70 SER CA C 70 58.920 58.218 0.702 1
1 810 . 2 1 1 A 70 70 SER CB C 70 64.446 63.419 1.027 1
1 811 . 2 1 1 A 70 70 SER N N 70 114.028 111.787 2.241 1
1 812 . 2 1 1 A 71 71 ASP H H 71 7.882 7.792 0.090 1
1 813 . 2 1 1 A 71 71 ASP HA H 71 4.278 4.377 -0.099 1
1 816 . 2 1 1 A 71 71 ASP C C 71 174.050 175.466 -1.416 1
1 817 . 2 1 1 A 71 71 ASP CA C 71 55.660 55.639 0.021 1
1 818 . 2 1 1 A 71 71 ASP CB C 71 39.540 39.716 -0.176 1
1 819 . 2 1 1 A 71 71 ASP N N 71 116.055 118.451 -2.396 1
1 820 . 2 1 1 A 72 72 VAL H H 72 7.723 7.922 -0.199 1
1 821 . 2 1 1 A 72 72 VAL HA H 72 3.285 3.825 -0.540 1
1 829 . 2 1 1 A 72 72 VAL C C 72 173.980 175.735 -1.755 1
1 830 . 2 1 1 A 72 72 VAL CA C 72 62.744 62.383 0.361 1
1 831 . 2 1 1 A 72 72 VAL CB C 72 30.727 31.373 -0.646 1
1 834 . 2 1 1 A 72 72 VAL N N 72 119.423 119.714 -0.291 1
1 835 . 2 1 1 A 73 73 GLY H H 73 7.722 8.613 -0.891 1
1 836 . 2 1 1 A 73 73 GLY HA2 H 73 3.590 4.124 -0.534 1
1 837 . 2 1 1 A 73 73 GLY HA3 H 73 4.416 4.135 0.281 1
1 838 . 2 1 1 A 73 73 GLY C C 73 172.450 174.765 -2.315 1
1 839 . 2 1 1 A 73 73 GLY CA C 73 42.820 44.056 -1.236 1
1 840 . 2 1 1 A 73 73 GLY N N 73 114.445 115.983 -1.538 1
1 841 . 2 1 1 A 74 74 SER H H 74 8.552 8.617 -0.065 1
1 842 . 2 1 1 A 74 74 SER HA H 74 4.365 4.463 -0.098 1
1 845 . 2 1 1 A 74 74 SER C C 74 177.240 175.197 2.043 1
1 846 . 2 1 1 A 74 74 SER CA C 74 60.420 58.343 2.077 1
1 847 . 2 1 1 A 74 74 SER CB C 74 63.350 62.217 1.133 1
1 848 . 2 1 1 A 74 74 SER N N 74 111.883 114.235 -2.352 1
1 849 . 2 1 1 A 75 75 GLY H H 75 9.718 7.350 2.368 1
1 850 . 2 1 1 A 75 75 GLY HA2 H 75 3.693 4.129 -0.436 1
1 851 . 2 1 1 A 75 75 GLY HA3 H 75 4.328 4.142 0.186 1
1 852 . 2 1 1 A 75 75 GLY C C 75 174.500 173.544 0.956 1
1 853 . 2 1 1 A 75 75 GLY CA C 75 44.990 45.711 -0.721 1
1 854 . 2 1 1 A 75 75 GLY N N 75 115.986 108.553 7.433 1
1 855 . 2 1 1 A 76 76 ALA H H 76 7.939 7.899 0.040 1
1 856 . 2 1 1 A 76 76 ALA HA H 76 4.363 4.418 -0.055 1
1 860 . 2 1 1 A 76 76 ALA C C 76 176.170 176.793 -0.623 1
1 861 . 2 1 1 A 76 76 ALA CA C 76 53.372 51.614 1.758 1
1 862 . 2 1 1 A 76 76 ALA CB C 76 21.400 19.479 1.921 1
1 863 . 2 1 1 A 76 76 ALA N N 76 123.830 123.277 0.553 1
1 864 . 2 1 1 A 77 77 LYS H H 77 8.435 8.848 -0.413 1
1 865 . 2 1 1 A 77 77 LYS HA H 77 5.195 4.909 0.286 1
1 874 . 2 1 1 A 77 77 LYS C C 77 175.450 175.453 -0.003 1
1 875 . 2 1 1 A 77 77 LYS CA C 77 54.930 55.535 -0.605 1
1 876 . 2 1 1 A 77 77 LYS CB C 77 33.520 32.453 1.067 1
1 880 . 2 1 1 A 77 77 LYS N N 77 120.636 123.904 -3.268 1
1 881 . 2 1 1 A 78 78 LEU H H 78 9.016 8.736 0.280 1
1 882 . 2 1 1 A 78 78 LEU HA H 78 5.225 4.647 0.578 1
1 892 . 2 1 1 A 78 78 LEU C C 78 175.970 176.563 -0.593 1
1 893 . 2 1 1 A 78 78 LEU CA C 78 53.700 54.431 -0.731 1
1 894 . 2 1 1 A 78 78 LEU CB C 78 45.250 42.644 2.606 1
1 898 . 2 1 1 A 78 78 LEU N N 78 123.751 126.310 -2.559 1
1 899 . 2 1 1 A 79 79 MET H H 79 8.983 8.979 0.004 1
1 900 . 2 1 1 A 79 79 MET HA H 79 5.163 5.068 0.095 1
1 905 . 2 1 1 A 79 79 MET C C 79 173.970 174.768 -0.798 1
1 906 . 2 1 1 A 79 79 MET CA C 79 55.508 53.993 1.515 1
1 907 . 2 1 1 A 79 79 MET CB C 79 35.180 34.233 0.947 1
1 909 . 2 1 1 A 79 79 MET N N 79 120.990 124.487 -3.497 1
1 910 . 2 1 1 A 80 80 LEU H H 80 8.905 8.883 0.022 1
1 911 . 2 1 1 A 80 80 LEU HA H 80 5.235 4.918 0.317 1
1 921 . 2 1 1 A 80 80 LEU C C 80 174.730 175.397 -0.667 1
1 922 . 2 1 1 A 80 80 LEU CA C 80 54.071 53.850 0.221 1
1 923 . 2 1 1 A 80 80 LEU CB C 80 43.540 43.531 0.009 1
1 927 . 2 1 1 A 81 81 MET H H 81 9.229 8.958 0.271 1
1 928 . 2 1 1 A 81 81 MET HA H 81 4.960 4.664 0.296 1
1 936 . 2 1 1 A 81 81 MET C C 81 174.450 174.882 -0.432 1
1 937 . 2 1 1 A 81 81 MET CA C 81 53.830 55.029 -1.199 1
1 938 . 2 1 1 A 81 81 MET CB C 81 34.810 31.384 3.426 1
1 941 . 2 1 1 A 81 81 MET N N 81 125.712 127.987 -2.275 1
1 942 . 2 1 1 A 82 82 ALA H H 82 8.891 7.948 0.943 1
1 943 . 2 1 1 A 82 82 ALA HA H 82 5.043 5.103 -0.060 1
1 947 . 2 1 1 A 82 82 ALA C C 82 177.470 175.846 1.624 1
1 948 . 2 1 1 A 82 82 ALA CA C 82 51.010 50.777 0.233 1
1 949 . 2 1 1 A 82 82 ALA CB C 82 21.124 23.174 -2.050 1
1 950 . 2 1 1 A 82 82 ALA N N 82 126.315 128.378 -2.063 1
1 951 . 2 1 1 A 83 83 SER H H 83 8.719 8.552 0.167 1
1 952 . 2 1 1 A 83 83 SER HA H 83 4.497 5.029 -0.532 1
1 955 . 2 1 1 A 83 83 SER C C 83 174.360 175.351 -0.991 1
1 956 . 2 1 1 A 83 83 SER CA C 83 58.534 56.434 2.100 1
1 957 . 2 1 1 A 83 83 SER CB C 83 64.140 65.256 -1.116 1
1 958 . 2 1 1 A 83 83 SER N N 83 117.987 114.231 3.756 1
1 959 . 2 1 1 A 84 84 GLN H H 84 8.629 8.853 -0.224 1
1 960 . 2 1 1 A 84 84 GLN HA H 84 4.449 4.095 0.354 1
1 967 . 2 1 1 A 84 84 GLN C C 84 175.370 176.104 -0.734 1
1 968 . 2 1 1 A 84 84 GLN CA C 84 55.890 59.020 -3.130 1
1 969 . 2 1 1 A 84 84 GLN CB C 84 29.860 28.868 0.992 1
1 971 . 2 1 1 A 84 84 GLN N N 84 122.746 121.930 0.816 1
1 1 . 3 1 1 A 10 10 HIS HA H 10 4.506 4.773 -0.267 1
1 4 . 3 1 1 A 10 10 HIS C C 10 176.040 173.688 2.352 1
1 5 . 3 1 1 A 10 10 HIS CA C 10 55.850 55.283 0.567 1
1 6 . 3 1 1 A 10 10 HIS CB C 10 33.250 29.685 3.565 1
1 7 . 3 1 1 A 11 11 SER H H 11 8.462 8.084 0.378 1
1 8 . 3 1 1 A 11 11 SER HA H 11 4.516 4.647 -0.131 1
1 10 . 3 1 1 A 11 11 SER C C 11 174.050 172.923 1.127 1
1 11 . 3 1 1 A 11 11 SER CA C 11 59.054 55.550 3.504 1
1 12 . 3 1 1 A 11 11 SER CB C 11 63.850 65.257 -1.407 1
1 13 . 3 1 1 A 11 11 SER N N 11 117.900 121.347 -3.447 1
1 14 . 3 1 1 A 12 12 THR H H 12 7.923 8.401 -0.478 1
1 15 . 3 1 1 A 12 12 THR HA H 12 4.581 5.026 -0.445 1
1 20 . 3 1 1 A 12 12 THR C C 12 174.140 174.538 -0.398 1
1 21 . 3 1 1 A 12 12 THR CA C 12 61.245 60.099 1.146 1
1 22 . 3 1 1 A 12 12 THR CB C 12 71.940 70.602 1.338 1
1 24 . 3 1 1 A 12 12 THR N N 12 112.783 113.978 -1.195 1
1 25 . 3 1 1 A 13 13 ILE H H 13 9.201 9.109 0.092 1
1 26 . 3 1 1 A 13 13 ILE HA H 13 4.532 5.054 -0.522 1
1 36 . 3 1 1 A 13 13 ILE C C 13 173.930 174.149 -0.219 1
1 37 . 3 1 1 A 13 13 ILE CA C 13 59.720 58.546 1.174 1
1 38 . 3 1 1 A 13 13 ILE CB C 13 41.597 42.094 -0.497 1
1 42 . 3 1 1 A 13 13 ILE N N 13 117.602 117.741 -0.139 1
1 43 . 3 1 1 A 14 14 LYS H H 14 8.077 8.539 -0.462 1
1 44 . 3 1 1 A 14 14 LYS HA H 14 5.110 4.917 0.193 1
1 53 . 3 1 1 A 14 14 LYS C C 14 175.360 175.293 0.067 1
1 54 . 3 1 1 A 14 14 LYS CA C 14 55.200 55.706 -0.506 1
1 55 . 3 1 1 A 14 14 LYS CB C 14 33.130 33.468 -0.338 1
1 59 . 3 1 1 A 14 14 LYS N N 14 122.699 122.894 -0.195 1
1 60 . 3 1 1 A 15 15 LEU H H 15 8.953 9.613 -0.660 1
1 61 . 3 1 1 A 15 15 LEU HA H 15 5.025 5.067 -0.042 1
1 71 . 3 1 1 A 15 15 LEU C C 15 176.400 176.119 0.281 1
1 72 . 3 1 1 A 15 15 LEU CA C 15 53.620 53.277 0.343 1
1 73 . 3 1 1 A 15 15 LEU CB C 15 45.380 45.110 0.270 1
1 77 . 3 1 1 A 15 15 LEU N N 15 121.650 126.538 -4.888 1
1 78 . 3 1 1 A 16 16 THR H H 16 8.412 9.106 -0.694 1
1 79 . 3 1 1 A 16 16 THR HA H 16 5.075 4.859 0.216 1
1 84 . 3 1 1 A 16 16 THR C C 16 173.070 173.679 -0.609 1
1 85 . 3 1 1 A 16 16 THR CA C 16 61.380 61.752 -0.372 1
1 86 . 3 1 1 A 16 16 THR CB C 16 71.700 69.874 1.826 1
1 88 . 3 1 1 A 16 16 THR N N 16 114.701 118.609 -3.908 1
1 89 . 3 1 1 A 17 17 VAL H H 17 9.083 8.994 0.089 1
1 90 . 3 1 1 A 17 17 VAL HA H 17 4.600 4.374 0.226 1
1 98 . 3 1 1 A 17 17 VAL C C 17 174.570 175.219 -0.649 1
1 99 . 3 1 1 A 17 17 VAL CA C 17 61.005 62.110 -1.105 1
1 100 . 3 1 1 A 17 17 VAL CB C 17 33.600 32.087 1.513 1
1 103 . 3 1 1 A 17 17 VAL N N 17 125.565 127.581 -2.016 1
1 104 . 3 1 1 A 18 18 LYS H H 18 9.183 8.962 0.221 1
1 105 . 3 1 1 A 18 18 LYS HA H 18 5.156 5.132 0.024 1
1 114 . 3 1 1 A 18 18 LYS C C 18 175.150 175.399 -0.249 1
1 115 . 3 1 1 A 18 18 LYS CA C 18 54.630 55.043 -0.413 1
1 116 . 3 1 1 A 18 18 LYS CB C 18 33.217 32.954 0.263 1
1 120 . 3 1 1 A 18 18 LYS N N 18 129.200 128.022 1.178 1
1 121 . 3 1 1 A 19 19 PHE H H 19 8.927 8.794 0.133 1
1 122 . 3 1 1 A 19 19 PHE HA H 19 5.377 4.719 0.658 1
1 129 . 3 1 1 A 19 19 PHE C C 19 175.850 176.174 -0.324 1
1 130 . 3 1 1 A 19 19 PHE CA C 19 55.330 56.390 -1.060 1
1 131 . 3 1 1 A 19 19 PHE CB C 19 41.690 37.024 4.666 1
1 136 . 3 1 1 A 19 19 PHE N N 19 126.659 125.050 1.609 1
1 139 . 3 1 1 A 20 20 GLY H H 20 9.275 8.608 0.667 1
1 140 . 3 1 1 A 20 20 GLY HA2 H 20 3.580 3.810 -0.230 1
1 141 . 3 1 1 A 20 20 GLY HA3 H 20 3.578 3.835 -0.257 1
1 142 . 3 1 1 A 20 20 GLY C C 20 175.090 174.891 0.199 1
1 143 . 3 1 1 A 20 20 GLY CA C 20 47.070 47.141 -0.071 1
1 144 . 3 1 1 A 20 20 GLY N N 20 119.629 112.892 6.737 1
1 145 . 3 1 1 A 21 21 GLY H H 21 8.819 8.540 0.279 1
1 146 . 3 1 1 A 21 21 GLY HA2 H 21 3.942 4.048 -0.106 1
1 147 . 3 1 1 A 21 21 GLY HA3 H 21 3.942 4.053 -0.111 1
1 148 . 3 1 1 A 21 21 GLY C C 21 173.890 174.270 -0.380 1
1 149 . 3 1 1 A 21 21 GLY CA C 21 45.290 45.377 -0.087 1
1 150 . 3 1 1 A 21 21 GLY N N 21 111.500 105.573 5.927 1
1 151 . 3 1 1 A 22 22 LYS H H 22 7.975 7.545 0.430 1
1 152 . 3 1 1 A 22 22 LYS HA H 22 4.616 4.349 0.267 1
1 161 . 3 1 1 A 22 22 LYS C C 22 175.450 175.561 -0.111 1
1 162 . 3 1 1 A 22 22 LYS CA C 22 55.514 56.735 -1.221 1
1 163 . 3 1 1 A 22 22 LYS CB C 22 34.790 33.791 0.999 1
1 167 . 3 1 1 A 22 22 LYS N N 22 121.832 121.354 0.478 1
1 168 . 3 1 1 A 23 23 SER H H 23 8.722 8.726 -0.004 1
1 169 . 3 1 1 A 23 23 SER HA H 23 4.841 5.276 -0.435 1
1 172 . 3 1 1 A 23 23 SER C C 23 173.910 172.905 1.005 1
1 173 . 3 1 1 A 23 23 SER CA C 23 58.344 56.785 1.559 1
1 174 . 3 1 1 A 23 23 SER CB C 23 64.237 65.461 -1.224 1
1 175 . 3 1 1 A 23 23 SER N N 23 119.004 112.172 6.832 1
1 176 . 3 1 1 A 24 24 ILE H H 24 9.444 9.403 0.041 1
1 177 . 3 1 1 A 24 24 ILE HA H 24 4.502 4.677 -0.175 1
1 187 . 3 1 1 A 24 24 ILE C C 24 173.590 174.858 -1.268 1
1 188 . 3 1 1 A 24 24 ILE CA C 24 59.145 58.147 0.998 1
1 189 . 3 1 1 A 24 24 ILE CB C 24 40.620 39.245 1.375 1
1 193 . 3 1 1 A 24 24 ILE N N 24 129.205 126.377 2.828 1
1 194 . 3 1 1 A 25 25 PRO HA H 25 5.179 5.005 0.174 1
1 201 . 3 1 1 A 25 25 PRO C C 25 176.750 175.809 0.941 1
1 202 . 3 1 1 A 25 25 PRO CA C 25 61.740 62.345 -0.605 1
1 203 . 3 1 1 A 25 25 PRO CB C 25 32.010 31.845 0.165 1
1 206 . 3 1 1 A 26 26 LEU H H 26 8.720 8.871 -0.151 1
1 207 . 3 1 1 A 26 26 LEU HA H 26 4.731 4.995 -0.264 1
1 217 . 3 1 1 A 26 26 LEU C C 26 175.450 175.446 0.004 1
1 218 . 3 1 1 A 26 26 LEU CA C 26 54.731 53.114 1.617 1
1 219 . 3 1 1 A 26 26 LEU CB C 26 47.766 45.295 2.471 1
1 223 . 3 1 1 A 26 26 LEU N N 26 122.986 125.069 -2.083 1
1 224 . 3 1 1 A 27 27 SER H H 27 8.404 9.097 -0.693 1
1 225 . 3 1 1 A 27 27 SER HA H 27 5.504 5.697 -0.193 1
1 228 . 3 1 1 A 27 27 SER C C 27 174.498 173.304 1.194 1
1 229 . 3 1 1 A 27 27 SER CA C 27 57.000 56.608 0.392 1
1 230 . 3 1 1 A 27 27 SER CB C 27 63.850 64.565 -0.715 1
1 231 . 3 1 1 A 27 27 SER N N 27 118.151 117.735 0.416 1
1 232 . 3 1 1 A 28 28 VAL H H 28 8.743 8.508 0.235 1
1 233 . 3 1 1 A 28 28 VAL HA H 28 4.792 5.056 -0.264 1
1 241 . 3 1 1 A 28 28 VAL C C 28 174.250 174.999 -0.749 1
1 242 . 3 1 1 A 28 28 VAL CA C 28 58.792 59.267 -0.475 1
1 243 . 3 1 1 A 28 28 VAL CB C 28 36.600 35.581 1.019 1
1 246 . 3 1 1 A 28 28 VAL N N 28 118.097 121.152 -3.055 1
1 247 . 3 1 1 A 29 29 SER H H 29 8.694 8.730 -0.036 1
1 248 . 3 1 1 A 29 29 SER HA H 29 4.960 4.828 0.132 1
1 251 . 3 1 1 A 29 29 SER C C 29 175.159 174.350 0.809 1
1 252 . 3 1 1 A 29 29 SER CA C 29 55.925 56.270 -0.345 1
1 253 . 3 1 1 A 29 29 SER CB C 29 64.080 64.009 0.071 1
1 254 . 3 1 1 A 29 29 SER N N 29 116.965 117.382 -0.417 1
1 255 . 3 1 1 A 30 30 PRO HA H 30 4.277 4.347 -0.070 1
1 262 . 3 1 1 A 30 30 PRO C C 30 175.705 177.623 -1.918 1
1 263 . 3 1 1 A 30 30 PRO CA C 30 64.825 64.717 0.108 1
1 264 . 3 1 1 A 30 30 PRO CB C 30 32.074 31.831 0.243 1
1 267 . 3 1 1 A 31 31 ASP H H 31 7.818 8.870 -1.052 1
1 268 . 3 1 1 A 31 31 ASP HA H 31 4.725 4.439 0.286 1
1 271 . 3 1 1 A 31 31 ASP C C 31 175.040 177.211 -2.171 1
1 272 . 3 1 1 A 31 31 ASP CA C 31 54.160 56.212 -2.052 1
1 273 . 3 1 1 A 31 31 ASP CB C 31 41.590 40.619 0.971 1
1 274 . 3 1 1 A 31 31 ASP N N 31 114.503 118.346 -3.843 1
1 275 . 3 1 1 A 32 32 CYS H H 32 7.657 7.782 -0.125 1
1 276 . 3 1 1 A 32 32 CYS HA H 32 4.483 4.630 -0.147 1
1 279 . 3 1 1 A 32 32 CYS C C 32 174.805 175.245 -0.440 1
1 280 . 3 1 1 A 32 32 CYS CA C 32 59.510 59.200 0.310 1
1 281 . 3 1 1 A 32 32 CYS CB C 32 28.010 28.579 -0.569 1
1 282 . 3 1 1 A 32 32 CYS N N 32 119.852 118.507 1.345 1
1 283 . 3 1 1 A 33 33 THR H H 33 8.992 8.473 0.519 1
1 284 . 3 1 1 A 33 33 THR HA H 33 4.861 4.923 -0.062 1
1 289 . 3 1 1 A 33 33 THR C C 33 176.350 176.247 0.103 1
1 290 . 3 1 1 A 33 33 THR CA C 33 61.165 60.028 1.137 1
1 291 . 3 1 1 A 33 33 THR CB C 33 71.968 71.823 0.145 1
1 293 . 3 1 1 A 33 33 THR N N 33 115.278 114.536 0.742 1
1 294 . 3 1 1 A 34 34 VAL H H 34 8.558 8.728 -0.170 1
1 295 . 3 1 1 A 34 34 VAL HA H 34 3.384 3.855 -0.471 1
1 303 . 3 1 1 A 34 34 VAL C C 34 177.880 177.833 0.047 1
1 304 . 3 1 1 A 34 34 VAL CA C 34 67.050 65.480 1.570 1
1 305 . 3 1 1 A 34 34 VAL CB C 34 31.303 31.494 -0.191 1
1 308 . 3 1 1 A 34 34 VAL N N 34 123.274 118.853 4.421 1
1 309 . 3 1 1 A 35 35 LYS H H 35 8.316 7.561 0.755 1
1 310 . 3 1 1 A 35 35 LYS HA H 35 3.758 3.907 -0.149 1
1 319 . 3 1 1 A 35 35 LYS C C 35 178.180 178.247 -0.067 1
1 320 . 3 1 1 A 35 35 LYS CA C 35 60.812 59.087 1.725 1
1 321 . 3 1 1 A 35 35 LYS CB C 35 32.610 32.074 0.536 1
1 325 . 3 1 1 A 35 35 LYS N N 35 119.813 120.850 -1.037 1
1 326 . 3 1 1 A 36 36 ASP H H 36 7.959 8.139 -0.180 1
1 327 . 3 1 1 A 36 36 ASP HA H 36 4.414 4.391 0.023 1
1 330 . 3 1 1 A 36 36 ASP C C 36 179.395 178.634 0.761 1
1 331 . 3 1 1 A 36 36 ASP CA C 36 57.360 57.814 -0.454 1
1 332 . 3 1 1 A 36 36 ASP CB C 36 40.350 42.071 -1.721 1
1 333 . 3 1 1 A 36 36 ASP N N 36 120.728 119.847 0.881 1
1 334 . 3 1 1 A 37 37 LEU H H 37 8.147 8.246 -0.099 1
1 335 . 3 1 1 A 37 37 LEU HA H 37 3.976 3.979 -0.003 1
1 345 . 3 1 1 A 37 37 LEU C C 37 178.630 179.346 -0.716 1
1 346 . 3 1 1 A 37 37 LEU CA C 37 58.210 57.935 0.275 1
1 347 . 3 1 1 A 37 37 LEU CB C 37 41.470 41.228 0.242 1
1 351 . 3 1 1 A 37 37 LEU N N 37 123.841 119.786 4.055 1
1 352 . 3 1 1 A 38 38 LYS H H 38 8.308 8.129 0.179 1
1 353 . 3 1 1 A 38 38 LYS HA H 38 4.505 4.149 0.356 1
1 362 . 3 1 1 A 38 38 LYS C C 38 180.780 179.077 1.703 1
1 363 . 3 1 1 A 38 38 LYS CA C 38 59.910 59.474 0.436 1
1 364 . 3 1 1 A 38 38 LYS CB C 38 34.270 32.024 2.246 1
1 368 . 3 1 1 A 38 38 LYS N N 38 117.736 118.360 -0.624 1
1 369 . 3 1 1 A 39 39 SER H H 39 7.952 8.124 -0.172 1
1 370 . 3 1 1 A 39 39 SER HA H 39 4.230 4.391 -0.161 1
1 373 . 3 1 1 A 39 39 SER C C 39 177.240 175.766 1.474 1
1 374 . 3 1 1 A 39 39 SER CA C 39 62.440 60.520 1.920 1
1 375 . 3 1 1 A 39 39 SER CB C 39 62.670 63.141 -0.471 1
1 376 . 3 1 1 A 39 39 SER N N 39 115.100 114.826 0.274 1
1 377 . 3 1 1 A 40 40 GLN H H 40 7.899 7.530 0.369 1
1 378 . 3 1 1 A 40 40 GLN HA H 40 4.125 4.376 -0.251 1
1 385 . 3 1 1 A 40 40 GLN C C 40 178.330 178.355 -0.025 1
1 386 . 3 1 1 A 40 40 GLN CA C 40 59.045 57.421 1.624 1
1 387 . 3 1 1 A 40 40 GLN CB C 40 28.893 29.685 -0.792 1
1 389 . 3 1 1 A 40 40 GLN N N 40 121.600 120.465 1.135 1
1 391 . 3 1 1 A 41 41 LEU H H 41 8.010 8.541 -0.531 1
1 392 . 3 1 1 A 41 41 LEU HA H 41 4.130 4.191 -0.061 1
1 402 . 3 1 1 A 41 41 LEU C C 41 179.980 179.050 0.930 1
1 403 . 3 1 1 A 41 41 LEU CA C 41 56.472 56.981 -0.509 1
1 404 . 3 1 1 A 41 41 LEU CB C 41 42.660 41.679 0.981 1
1 408 . 3 1 1 A 41 41 LEU N N 41 116.657 119.652 -2.995 1
1 409 . 3 1 1 A 42 42 GLN H H 42 7.903 8.048 -0.145 1
1 410 . 3 1 1 A 42 42 GLN HA H 42 4.180 4.198 -0.018 1
1 417 . 3 1 1 A 42 42 GLN C C 42 174.350 174.503 -0.153 1
1 418 . 3 1 1 A 42 42 GLN CA C 42 61.300 61.014 0.286 1
1 419 . 3 1 1 A 42 42 GLN CB C 42 25.250 26.314 -1.064 1
1 421 . 3 1 1 A 42 42 GLN N N 42 125.104 120.271 4.833 1
1 423 . 3 1 1 A 43 43 PRO HA H 43 4.410 4.416 -0.006 1
1 430 . 3 1 1 A 43 43 PRO C C 43 177.270 178.153 -0.883 1
1 431 . 3 1 1 A 43 43 PRO CA C 43 65.130 65.041 0.089 1
1 432 . 3 1 1 A 43 43 PRO CB C 43 31.208 31.388 -0.180 1
1 435 . 3 1 1 A 44 44 ILE H H 44 6.568 7.681 -1.113 1
1 436 . 3 1 1 A 44 44 ILE HA H 44 3.959 4.006 -0.047 1
1 446 . 3 1 1 A 44 44 ILE C C 44 177.060 177.703 -0.643 1
1 447 . 3 1 1 A 44 44 ILE CA C 44 63.670 63.302 0.368 1
1 448 . 3 1 1 A 44 44 ILE CB C 44 40.270 39.075 1.195 1
1 452 . 3 1 1 A 44 44 ILE N N 44 114.765 116.702 -1.937 1
1 453 . 3 1 1 A 45 45 THR H H 45 7.826 7.825 0.001 1
1 454 . 3 1 1 A 45 45 THR HA H 45 4.202 4.400 -0.198 1
1 459 . 3 1 1 A 45 45 THR C C 45 174.990 174.895 0.095 1
1 460 . 3 1 1 A 45 45 THR CA C 45 62.696 61.142 1.554 1
1 461 . 3 1 1 A 45 45 THR CB C 45 71.682 69.558 2.124 1
1 463 . 3 1 1 A 45 45 THR N N 45 107.323 108.599 -1.276 1
1 464 . 3 1 1 A 46 46 ASN H H 46 8.660 8.301 0.359 1
1 465 . 3 1 1 A 46 46 ASN HA H 46 4.381 4.426 -0.045 1
1 470 . 3 1 1 A 46 46 ASN C C 46 173.900 174.882 -0.982 1
1 471 . 3 1 1 A 46 46 ASN CA C 46 54.890 54.592 0.298 1
1 472 . 3 1 1 A 46 46 ASN CB C 46 38.207 37.720 0.487 1
1 473 . 3 1 1 A 46 46 ASN N N 46 117.586 116.318 1.268 1
1 475 . 3 1 1 A 47 47 VAL H H 47 7.517 7.841 -0.324 1
1 476 . 3 1 1 A 47 47 VAL HA H 47 4.134 4.034 0.100 1
1 484 . 3 1 1 A 47 47 VAL C C 47 176.140 174.964 1.176 1
1 485 . 3 1 1 A 47 47 VAL CA C 47 61.763 62.641 -0.878 1
1 486 . 3 1 1 A 47 47 VAL CB C 47 32.925 31.901 1.024 1
1 489 . 3 1 1 A 47 47 VAL N N 47 119.901 119.887 0.014 1
1 490 . 3 1 1 A 48 48 LEU H H 48 8.650 8.448 0.202 1
1 491 . 3 1 1 A 48 48 LEU HA H 48 4.194 4.368 -0.174 1
1 501 . 3 1 1 A 48 48 LEU C C 48 177.110 177.302 -0.192 1
1 502 . 3 1 1 A 48 48 LEU CA C 48 54.491 53.670 0.821 1
1 503 . 3 1 1 A 48 48 LEU CB C 48 41.171 41.296 -0.125 1
1 507 . 3 1 1 A 48 48 LEU N N 48 128.467 128.028 0.439 1
1 508 . 3 1 1 A 49 49 PRO HA H 49 3.923 4.221 -0.298 1
1 515 . 3 1 1 A 49 49 PRO C C 49 178.430 178.009 0.421 1
1 516 . 3 1 1 A 49 49 PRO CA C 49 67.000 65.561 1.439 1
1 517 . 3 1 1 A 49 49 PRO CB C 49 32.456 32.029 0.427 1
1 520 . 3 1 1 A 50 50 ARG H H 50 8.331 8.213 0.118 1
1 521 . 3 1 1 A 50 50 ARG HA H 50 4.239 4.039 0.200 1
1 528 . 3 1 1 A 50 50 ARG C C 50 176.940 178.740 -1.800 1
1 529 . 3 1 1 A 50 50 ARG CA C 50 58.130 59.613 -1.483 1
1 530 . 3 1 1 A 50 50 ARG CB C 50 29.200 29.854 -0.654 1
1 533 . 3 1 1 A 50 50 ARG N N 50 114.500 118.491 -3.991 1
1 534 . 3 1 1 A 51 51 GLY H H 51 8.199 8.168 0.031 1
1 535 . 3 1 1 A 51 51 GLY HA2 H 51 3.605 3.848 -0.243 1
1 536 . 3 1 1 A 51 51 GLY HA3 H 51 4.335 3.861 0.474 1
1 537 . 3 1 1 A 51 51 GLY C C 51 173.340 175.018 -1.678 1
1 538 . 3 1 1 A 51 51 GLY CA C 51 44.750 47.031 -2.281 1
1 539 . 3 1 1 A 51 51 GLY N N 51 107.942 107.093 0.849 1
1 540 . 3 1 1 A 52 52 GLN H H 52 7.475 7.840 -0.365 1
1 541 . 3 1 1 A 52 52 GLN HA H 52 4.315 4.499 -0.184 1
1 548 . 3 1 1 A 52 52 GLN C C 52 175.770 174.699 1.071 1
1 549 . 3 1 1 A 52 52 GLN CA C 52 56.023 55.157 0.866 1
1 550 . 3 1 1 A 52 52 GLN CB C 52 31.494 27.162 4.332 1
1 552 . 3 1 1 A 52 52 GLN N N 52 119.769 118.851 0.918 1
1 554 . 3 1 1 A 53 53 LYS H H 53 8.586 8.687 -0.101 1
1 555 . 3 1 1 A 53 53 LYS HA H 53 4.500 4.651 -0.151 1
1 564 . 3 1 1 A 53 53 LYS C C 53 174.080 175.294 -1.214 1
1 565 . 3 1 1 A 53 53 LYS CA C 53 55.950 55.389 0.561 1
1 566 . 3 1 1 A 53 53 LYS CB C 53 34.690 32.302 2.388 1
1 570 . 3 1 1 A 53 53 LYS N N 53 123.759 124.635 -0.876 1
1 571 . 3 1 1 A 54 54 LEU H H 54 8.900 8.748 0.152 1
1 572 . 3 1 1 A 54 54 LEU HA H 54 5.271 4.611 0.660 1
1 582 . 3 1 1 A 54 54 LEU C C 54 174.940 175.859 -0.919 1
1 583 . 3 1 1 A 54 54 LEU CA C 54 53.250 54.185 -0.935 1
1 584 . 3 1 1 A 54 54 LEU CB C 54 45.042 40.998 4.044 1
1 588 . 3 1 1 A 54 54 LEU N N 54 126.200 126.051 0.149 1
1 589 . 3 1 1 A 55 55 ILE H H 55 9.330 8.728 0.602 1
1 590 . 3 1 1 A 55 55 ILE HA H 55 4.886 5.215 -0.329 1
1 600 . 3 1 1 A 55 55 ILE C C 55 175.623 174.439 1.184 1
1 601 . 3 1 1 A 55 55 ILE CA C 55 59.402 60.087 -0.685 1
1 602 . 3 1 1 A 55 55 ILE CB C 55 40.270 40.421 -0.151 1
1 606 . 3 1 1 A 55 55 ILE N N 55 123.589 125.175 -1.586 1
1 607 . 3 1 1 A 56 56 PHE H H 56 9.241 9.339 -0.098 1
1 608 . 3 1 1 A 56 56 PHE HA H 56 5.212 4.927 0.285 1
1 615 . 3 1 1 A 56 56 PHE C C 56 174.600 174.834 -0.234 1
1 616 . 3 1 1 A 56 56 PHE CA C 56 55.936 57.273 -1.337 1
1 617 . 3 1 1 A 56 56 PHE CB C 56 42.830 42.139 0.691 1
1 622 . 3 1 1 A 56 56 PHE N N 56 127.423 127.394 0.029 1
1 625 . 3 1 1 A 57 57 LYS H H 57 9.307 9.426 -0.119 1
1 626 . 3 1 1 A 57 57 LYS HA H 57 3.630 3.597 0.033 1
1 635 . 3 1 1 A 57 57 LYS C C 57 176.620 176.601 0.019 1
1 636 . 3 1 1 A 57 57 LYS CA C 57 57.495 57.083 0.412 1
1 637 . 3 1 1 A 57 57 LYS CB C 57 30.100 29.800 0.300 1
1 641 . 3 1 1 A 57 57 LYS N N 57 128.612 128.130 0.482 1
1 642 . 3 1 1 A 58 58 GLY H H 58 8.288 8.524 -0.236 1
1 643 . 3 1 1 A 58 58 GLY HA2 H 58 3.487 3.805 -0.318 1
1 644 . 3 1 1 A 58 58 GLY HA3 H 58 4.098 3.819 0.279 1
1 645 . 3 1 1 A 58 58 GLY C C 58 173.568 173.678 -0.110 1
1 646 . 3 1 1 A 58 58 GLY CA C 58 45.475 45.354 0.121 1
1 647 . 3 1 1 A 58 58 GLY N N 58 102.757 105.067 -2.310 1
1 648 . 3 1 1 A 59 59 LYS H H 59 7.900 7.802 0.098 1
1 649 . 3 1 1 A 59 59 LYS HA H 59 4.667 4.696 -0.029 1
1 658 . 3 1 1 A 59 59 LYS C C 59 174.830 175.474 -0.644 1
1 659 . 3 1 1 A 59 59 LYS CA C 59 55.222 54.787 0.435 1
1 660 . 3 1 1 A 59 59 LYS CB C 59 35.010 35.013 -0.003 1
1 664 . 3 1 1 A 59 59 LYS N N 59 121.753 121.004 0.749 1
1 665 . 3 1 1 A 60 60 VAL H H 60 8.587 8.693 -0.106 1
1 666 . 3 1 1 A 60 60 VAL HA H 60 4.209 4.610 -0.401 1
1 674 . 3 1 1 A 60 60 VAL C C 60 177.380 175.195 2.185 1
1 675 . 3 1 1 A 60 60 VAL CA C 60 63.080 61.772 1.308 1
1 676 . 3 1 1 A 60 60 VAL CB C 60 32.101 32.887 -0.786 1
1 679 . 3 1 1 A 60 60 VAL N N 60 123.795 126.173 -2.378 1
1 680 . 3 1 1 A 61 61 LEU H H 61 8.876 8.484 0.392 1
1 681 . 3 1 1 A 61 61 LEU HA H 61 4.430 4.509 -0.079 1
1 691 . 3 1 1 A 61 61 LEU C C 61 176.660 177.276 -0.616 1
1 692 . 3 1 1 A 61 61 LEU CA C 61 54.760 54.264 0.496 1
1 693 . 3 1 1 A 61 61 LEU CB C 61 43.060 42.287 0.773 1
1 697 . 3 1 1 A 61 61 LEU N N 61 129.083 130.211 -1.128 1
1 698 . 3 1 1 A 62 62 VAL H H 62 8.759 8.632 0.127 1
1 699 . 3 1 1 A 62 62 VAL HA H 62 3.989 4.030 -0.041 1
1 707 . 3 1 1 A 62 62 VAL C C 62 178.390 177.068 1.322 1
1 708 . 3 1 1 A 62 62 VAL CA C 62 63.077 63.534 -0.457 1
1 709 . 3 1 1 A 62 62 VAL CB C 62 32.440 31.902 0.538 1
1 712 . 3 1 1 A 62 62 VAL N N 62 124.193 123.472 0.721 1
1 713 . 3 1 1 A 63 63 GLU H H 63 8.806 8.975 -0.169 1
1 714 . 3 1 1 A 63 63 GLU HA H 63 3.757 4.056 -0.299 1
1 719 . 3 1 1 A 63 63 GLU C C 63 176.500 177.838 -1.338 1
1 720 . 3 1 1 A 63 63 GLU CA C 63 60.509 59.640 0.869 1
1 721 . 3 1 1 A 63 63 GLU CB C 63 30.580 29.385 1.195 1
1 723 . 3 1 1 A 63 63 GLU N N 63 125.296 124.991 0.305 1
1 724 . 3 1 1 A 64 64 THR H H 64 7.100 7.576 -0.476 1
1 725 . 3 1 1 A 64 64 THR HA H 64 4.279 4.330 -0.051 1
1 730 . 3 1 1 A 64 64 THR C C 64 175.290 174.276 1.014 1
1 731 . 3 1 1 A 64 64 THR CA C 64 61.466 62.313 -0.847 1
1 732 . 3 1 1 A 64 64 THR CB C 64 68.840 69.321 -0.481 1
1 734 . 3 1 1 A 64 64 THR N N 64 102.822 110.487 -7.665 1
1 735 . 3 1 1 A 65 65 SER H H 65 7.749 7.925 -0.176 1
1 736 . 3 1 1 A 65 65 SER HA H 65 4.676 4.952 -0.276 1
1 739 . 3 1 1 A 65 65 SER C C 65 174.300 174.218 0.082 1
1 740 . 3 1 1 A 65 65 SER CA C 65 58.060 58.089 -0.029 1
1 741 . 3 1 1 A 65 65 SER CB C 65 64.950 64.036 0.914 1
1 742 . 3 1 1 A 65 65 SER N N 65 117.966 118.919 -0.953 1
1 743 . 3 1 1 A 66 66 THR H H 66 8.512 8.657 -0.145 1
1 744 . 3 1 1 A 66 66 THR HA H 66 5.032 4.950 0.082 1
1 750 . 3 1 1 A 66 66 THR C C 66 177.300 176.123 1.177 1
1 751 . 3 1 1 A 66 66 THR CA C 66 60.200 60.422 -0.222 1
1 752 . 3 1 1 A 66 66 THR CB C 66 71.550 71.296 0.254 1
1 754 . 3 1 1 A 66 66 THR N N 66 111.490 117.398 -5.908 1
1 755 . 3 1 1 A 67 67 LEU H H 67 8.451 8.564 -0.113 1
1 756 . 3 1 1 A 67 67 LEU HA H 67 3.753 3.910 -0.157 1
1 766 . 3 1 1 A 67 67 LEU C C 67 179.170 178.892 0.278 1
1 767 . 3 1 1 A 67 67 LEU CA C 67 59.234 58.398 0.836 1
1 768 . 3 1 1 A 67 67 LEU CB C 67 38.897 41.329 -2.432 1
1 772 . 3 1 1 A 67 67 LEU N N 67 122.302 123.292 -0.990 1
1 773 . 3 1 1 A 68 68 LYS H H 68 8.313 8.208 0.105 1
1 774 . 3 1 1 A 68 68 LYS HA H 68 4.090 3.929 0.161 1
1 783 . 3 1 1 A 68 68 LYS C C 68 180.950 179.026 1.924 1
1 784 . 3 1 1 A 68 68 LYS CA C 68 59.620 59.415 0.205 1
1 785 . 3 1 1 A 68 68 LYS CB C 68 32.490 32.129 0.361 1
1 789 . 3 1 1 A 68 68 LYS N N 68 120.066 119.753 0.313 1
1 790 . 3 1 1 A 69 69 GLN H H 69 8.019 7.608 0.411 1
1 791 . 3 1 1 A 69 69 GLN HA H 69 4.086 4.072 0.014 1
1 798 . 3 1 1 A 69 69 GLN C C 69 177.840 176.504 1.336 1
1 799 . 3 1 1 A 69 69 GLN CA C 69 58.260 58.389 -0.129 1
1 800 . 3 1 1 A 69 69 GLN CB C 69 28.580 28.685 -0.105 1
1 802 . 3 1 1 A 69 69 GLN N N 69 119.594 118.925 0.669 1
1 804 . 3 1 1 A 70 70 SER H H 70 7.544 7.721 -0.177 1
1 805 . 3 1 1 A 70 70 SER HA H 70 4.517 4.747 -0.230 1
1 808 . 3 1 1 A 70 70 SER C C 70 171.870 173.854 -1.984 1
1 809 . 3 1 1 A 70 70 SER CA C 70 58.920 57.340 1.580 1
1 810 . 3 1 1 A 70 70 SER CB C 70 64.446 63.316 1.130 1
1 811 . 3 1 1 A 70 70 SER N N 70 114.028 112.870 1.158 1
1 812 . 3 1 1 A 71 71 ASP H H 71 7.882 8.203 -0.321 1
1 813 . 3 1 1 A 71 71 ASP HA H 71 4.278 4.305 -0.027 1
1 816 . 3 1 1 A 71 71 ASP C C 71 174.050 175.556 -1.506 1
1 817 . 3 1 1 A 71 71 ASP CA C 71 55.660 55.529 0.131 1
1 818 . 3 1 1 A 71 71 ASP CB C 71 39.540 39.614 -0.074 1
1 819 . 3 1 1 A 71 71 ASP N N 71 116.055 117.601 -1.546 1
1 820 . 3 1 1 A 72 72 VAL H H 72 7.723 7.410 0.313 1
1 821 . 3 1 1 A 72 72 VAL HA H 72 3.285 3.960 -0.675 1
1 829 . 3 1 1 A 72 72 VAL C C 72 173.980 175.652 -1.672 1
1 830 . 3 1 1 A 72 72 VAL CA C 72 62.744 62.162 0.582 1
1 831 . 3 1 1 A 72 72 VAL CB C 72 30.727 31.523 -0.796 1
1 834 . 3 1 1 A 72 72 VAL N N 72 119.423 119.528 -0.105 1
1 835 . 3 1 1 A 73 73 GLY H H 73 7.722 8.424 -0.702 1
1 836 . 3 1 1 A 73 73 GLY HA2 H 73 3.590 4.171 -0.581 1
1 837 . 3 1 1 A 73 73 GLY HA3 H 73 4.416 4.185 0.231 1
1 838 . 3 1 1 A 73 73 GLY C C 73 172.450 173.849 -1.399 1
1 839 . 3 1 1 A 73 73 GLY CA C 73 42.820 44.690 -1.870 1
1 840 . 3 1 1 A 73 73 GLY N N 73 114.445 115.831 -1.386 1
1 841 . 3 1 1 A 74 74 SER H H 74 8.552 8.569 -0.017 1
1 842 . 3 1 1 A 74 74 SER HA H 74 4.365 4.548 -0.183 1
1 845 . 3 1 1 A 74 74 SER C C 74 177.240 174.800 2.440 1
1 846 . 3 1 1 A 74 74 SER CA C 74 60.420 58.244 2.176 1
1 847 . 3 1 1 A 74 74 SER CB C 74 63.350 62.395 0.955 1
1 848 . 3 1 1 A 74 74 SER N N 74 111.883 115.118 -3.235 1
1 849 . 3 1 1 A 75 75 GLY H H 75 9.718 8.175 1.543 1
1 850 . 3 1 1 A 75 75 GLY HA2 H 75 3.693 4.133 -0.440 1
1 851 . 3 1 1 A 75 75 GLY HA3 H 75 4.328 4.144 0.184 1
1 852 . 3 1 1 A 75 75 GLY C C 75 174.500 173.829 0.671 1
1 853 . 3 1 1 A 75 75 GLY CA C 75 44.990 45.624 -0.634 1
1 854 . 3 1 1 A 75 75 GLY N N 75 115.986 110.644 5.342 1
1 855 . 3 1 1 A 76 76 ALA H H 76 7.939 7.997 -0.058 1
1 856 . 3 1 1 A 76 76 ALA HA H 76 4.363 5.168 -0.805 1
1 860 . 3 1 1 A 76 76 ALA C C 76 176.170 175.967 0.203 1
1 861 . 3 1 1 A 76 76 ALA CA C 76 53.372 51.018 2.354 1
1 862 . 3 1 1 A 76 76 ALA CB C 76 21.400 22.753 -1.353 1
1 863 . 3 1 1 A 76 76 ALA N N 76 123.830 123.377 0.453 1
1 864 . 3 1 1 A 77 77 LYS H H 77 8.435 8.840 -0.405 1
1 865 . 3 1 1 A 77 77 LYS HA H 77 5.195 4.714 0.481 1
1 874 . 3 1 1 A 77 77 LYS C C 77 175.450 175.251 0.199 1
1 875 . 3 1 1 A 77 77 LYS CA C 77 54.930 55.590 -0.660 1
1 876 . 3 1 1 A 77 77 LYS CB C 77 33.520 33.102 0.418 1
1 880 . 3 1 1 A 77 77 LYS N N 77 120.636 122.511 -1.875 1
1 881 . 3 1 1 A 78 78 LEU H H 78 9.016 9.370 -0.354 1
1 882 . 3 1 1 A 78 78 LEU HA H 78 5.225 4.970 0.255 1
1 892 . 3 1 1 A 78 78 LEU C C 78 175.970 175.206 0.764 1
1 893 . 3 1 1 A 78 78 LEU CA C 78 53.700 53.593 0.107 1
1 894 . 3 1 1 A 78 78 LEU CB C 78 45.250 43.125 2.125 1
1 898 . 3 1 1 A 78 78 LEU N N 78 123.751 126.936 -3.185 1
1 899 . 3 1 1 A 79 79 MET H H 79 8.983 9.009 -0.026 1
1 900 . 3 1 1 A 79 79 MET HA H 79 5.163 4.752 0.411 1
1 905 . 3 1 1 A 79 79 MET C C 79 173.970 175.147 -1.177 1
1 906 . 3 1 1 A 79 79 MET CA C 79 55.508 54.263 1.245 1
1 907 . 3 1 1 A 79 79 MET CB C 79 35.180 32.845 2.335 1
1 909 . 3 1 1 A 79 79 MET N N 79 120.990 125.196 -4.206 1
1 910 . 3 1 1 A 80 80 LEU H H 80 8.905 8.536 0.369 1
1 911 . 3 1 1 A 80 80 LEU HA H 80 5.235 5.054 0.181 1
1 921 . 3 1 1 A 80 80 LEU C C 80 174.730 175.392 -0.662 1
1 922 . 3 1 1 A 80 80 LEU CA C 80 54.071 53.726 0.345 1
1 923 . 3 1 1 A 80 80 LEU CB C 80 43.540 43.548 -0.008 1
1 927 . 3 1 1 A 81 81 MET H H 81 9.229 8.946 0.283 1
1 928 . 3 1 1 A 81 81 MET HA H 81 4.960 4.715 0.245 1
1 936 . 3 1 1 A 81 81 MET C C 81 174.450 174.845 -0.395 1
1 937 . 3 1 1 A 81 81 MET CA C 81 53.830 54.830 -1.000 1
1 938 . 3 1 1 A 81 81 MET CB C 81 34.810 31.391 3.419 1
1 941 . 3 1 1 A 81 81 MET N N 81 125.712 128.049 -2.337 1
1 942 . 3 1 1 A 82 82 ALA H H 82 8.891 8.330 0.561 1
1 943 . 3 1 1 A 82 82 ALA HA H 82 5.043 5.598 -0.555 1
1 947 . 3 1 1 A 82 82 ALA C C 82 177.470 175.228 2.242 1
1 948 . 3 1 1 A 82 82 ALA CA C 82 51.010 50.272 0.738 1
1 949 . 3 1 1 A 82 82 ALA CB C 82 21.124 23.194 -2.070 1
1 950 . 3 1 1 A 82 82 ALA N N 82 126.315 128.679 -2.364 1
1 951 . 3 1 1 A 83 83 SER H H 83 8.719 8.617 0.102 1
1 952 . 3 1 1 A 83 83 SER HA H 83 4.497 4.911 -0.414 1
1 955 . 3 1 1 A 83 83 SER C C 83 174.360 173.651 0.709 1
1 956 . 3 1 1 A 83 83 SER CA C 83 58.534 56.998 1.536 1
1 957 . 3 1 1 A 83 83 SER CB C 83 64.140 64.212 -0.072 1
1 958 . 3 1 1 A 83 83 SER N N 83 117.987 115.726 2.261 1
1 959 . 3 1 1 A 84 84 GLN H H 84 8.629 8.777 -0.148 1
1 960 . 3 1 1 A 84 84 GLN HA H 84 4.449 5.073 -0.624 1
1 967 . 3 1 1 A 84 84 GLN C C 84 175.370 174.802 0.568 1
1 968 . 3 1 1 A 84 84 GLN CA C 84 55.890 54.639 1.251 1
1 969 . 3 1 1 A 84 84 GLN CB C 84 29.860 32.225 -2.365 1
1 971 . 3 1 1 A 84 84 GLN N N 84 122.746 127.487 -4.741 1
1 1 . 4 1 1 A 10 10 HIS HA H 10 4.506 5.025 -0.519 1
1 4 . 4 1 1 A 10 10 HIS C C 10 176.040 175.445 0.595 1
1 5 . 4 1 1 A 10 10 HIS CA C 10 55.850 55.128 0.722 1
1 6 . 4 1 1 A 10 10 HIS CB C 10 33.250 30.120 3.130 1
1 7 . 4 1 1 A 11 11 SER H H 11 8.462 7.481 0.981 1
1 8 . 4 1 1 A 11 11 SER HA H 11 4.516 4.372 0.144 1
1 10 . 4 1 1 A 11 11 SER C C 11 174.050 174.067 -0.017 1
1 11 . 4 1 1 A 11 11 SER CA C 11 59.054 58.680 0.374 1
1 12 . 4 1 1 A 11 11 SER CB C 11 63.850 64.278 -0.428 1
1 13 . 4 1 1 A 11 11 SER N N 11 117.900 117.009 0.891 1
1 14 . 4 1 1 A 12 12 THR H H 12 7.923 8.331 -0.408 1
1 15 . 4 1 1 A 12 12 THR HA H 12 4.581 4.676 -0.095 1
1 20 . 4 1 1 A 12 12 THR C C 12 174.140 174.815 -0.675 1
1 21 . 4 1 1 A 12 12 THR CA C 12 61.245 60.784 0.461 1
1 22 . 4 1 1 A 12 12 THR CB C 12 71.940 70.015 1.925 1
1 24 . 4 1 1 A 12 12 THR N N 12 112.783 113.639 -0.856 1
1 25 . 4 1 1 A 13 13 ILE H H 13 9.201 8.929 0.272 1
1 26 . 4 1 1 A 13 13 ILE HA H 13 4.532 4.837 -0.305 1
1 36 . 4 1 1 A 13 13 ILE C C 13 173.930 175.084 -1.154 1
1 37 . 4 1 1 A 13 13 ILE CA C 13 59.720 59.495 0.225 1
1 38 . 4 1 1 A 13 13 ILE CB C 13 41.597 39.586 2.011 1
1 42 . 4 1 1 A 13 13 ILE N N 13 117.602 119.212 -1.610 1
1 43 . 4 1 1 A 14 14 LYS H H 14 8.077 8.562 -0.485 1
1 44 . 4 1 1 A 14 14 LYS HA H 14 5.110 4.631 0.479 1
1 53 . 4 1 1 A 14 14 LYS C C 14 175.360 176.216 -0.856 1
1 54 . 4 1 1 A 14 14 LYS CA C 14 55.200 55.345 -0.145 1
1 55 . 4 1 1 A 14 14 LYS CB C 14 33.130 31.284 1.846 1
1 59 . 4 1 1 A 14 14 LYS N N 14 122.699 123.728 -1.029 1
1 60 . 4 1 1 A 15 15 LEU H H 15 8.953 7.907 1.046 1
1 61 . 4 1 1 A 15 15 LEU HA H 15 5.025 4.763 0.262 1
1 71 . 4 1 1 A 15 15 LEU C C 15 176.400 175.848 0.552 1
1 72 . 4 1 1 A 15 15 LEU CA C 15 53.620 53.227 0.393 1
1 73 . 4 1 1 A 15 15 LEU CB C 15 45.380 43.576 1.804 1
1 77 . 4 1 1 A 15 15 LEU N N 15 121.650 121.807 -0.157 1
1 78 . 4 1 1 A 16 16 THR H H 16 8.412 8.782 -0.370 1
1 79 . 4 1 1 A 16 16 THR HA H 16 5.075 4.999 0.076 1
1 84 . 4 1 1 A 16 16 THR C C 16 173.070 173.136 -0.066 1
1 85 . 4 1 1 A 16 16 THR CA C 16 61.380 61.820 -0.440 1
1 86 . 4 1 1 A 16 16 THR CB C 16 71.700 70.627 1.073 1
1 88 . 4 1 1 A 16 16 THR N N 16 114.701 114.819 -0.118 1
1 89 . 4 1 1 A 17 17 VAL H H 17 9.083 9.298 -0.215 1
1 90 . 4 1 1 A 17 17 VAL HA H 17 4.600 4.618 -0.018 1
1 98 . 4 1 1 A 17 17 VAL C C 17 174.570 174.691 -0.121 1
1 99 . 4 1 1 A 17 17 VAL CA C 17 61.005 61.543 -0.538 1
1 100 . 4 1 1 A 17 17 VAL CB C 17 33.600 32.576 1.024 1
1 103 . 4 1 1 A 17 17 VAL N N 17 125.565 128.270 -2.705 1
1 104 . 4 1 1 A 18 18 LYS H H 18 9.183 8.926 0.257 1
1 105 . 4 1 1 A 18 18 LYS HA H 18 5.156 4.994 0.162 1
1 114 . 4 1 1 A 18 18 LYS C C 18 175.150 175.283 -0.133 1
1 115 . 4 1 1 A 18 18 LYS CA C 18 54.630 54.898 -0.268 1
1 116 . 4 1 1 A 18 18 LYS CB C 18 33.217 33.604 -0.387 1
1 120 . 4 1 1 A 18 18 LYS N N 18 129.200 127.392 1.808 1
1 121 . 4 1 1 A 19 19 PHE H H 19 8.927 9.007 -0.080 1
1 122 . 4 1 1 A 19 19 PHE HA H 19 5.377 4.895 0.482 1
1 129 . 4 1 1 A 19 19 PHE C C 19 175.850 175.949 -0.099 1
1 130 . 4 1 1 A 19 19 PHE CA C 19 55.330 56.793 -1.463 1
1 131 . 4 1 1 A 19 19 PHE CB C 19 41.690 38.523 3.167 1
1 136 . 4 1 1 A 19 19 PHE N N 19 126.659 124.046 2.613 1
1 139 . 4 1 1 A 20 20 GLY H H 20 9.275 8.996 0.279 1
1 140 . 4 1 1 A 20 20 GLY HA2 H 20 3.580 3.901 -0.321 1
1 141 . 4 1 1 A 20 20 GLY HA3 H 20 3.578 3.922 -0.344 1
1 142 . 4 1 1 A 20 20 GLY C C 20 175.090 175.111 -0.021 1
1 143 . 4 1 1 A 20 20 GLY CA C 20 47.070 47.233 -0.163 1
1 144 . 4 1 1 A 20 20 GLY N N 20 119.629 115.097 4.532 1
1 145 . 4 1 1 A 21 21 GLY H H 21 8.819 8.851 -0.032 1
1 146 . 4 1 1 A 21 21 GLY HA2 H 21 3.942 3.992 -0.050 1
1 147 . 4 1 1 A 21 21 GLY HA3 H 21 3.942 3.992 -0.050 1
1 148 . 4 1 1 A 21 21 GLY C C 21 173.890 174.105 -0.215 1
1 149 . 4 1 1 A 21 21 GLY CA C 21 45.290 45.160 0.130 1
1 150 . 4 1 1 A 21 21 GLY N N 21 111.500 114.629 -3.129 1
1 151 . 4 1 1 A 22 22 LYS H H 22 7.975 7.871 0.104 1
1 152 . 4 1 1 A 22 22 LYS HA H 22 4.616 4.770 -0.154 1
1 161 . 4 1 1 A 22 22 LYS C C 22 175.450 175.667 -0.217 1
1 162 . 4 1 1 A 22 22 LYS CA C 22 55.514 54.540 0.974 1
1 163 . 4 1 1 A 22 22 LYS CB C 22 34.790 34.459 0.331 1
1 167 . 4 1 1 A 22 22 LYS N N 22 121.832 120.490 1.342 1
1 168 . 4 1 1 A 23 23 SER H H 23 8.722 8.986 -0.264 1
1 169 . 4 1 1 A 23 23 SER HA H 23 4.841 4.988 -0.147 1
1 172 . 4 1 1 A 23 23 SER C C 23 173.910 173.643 0.267 1
1 173 . 4 1 1 A 23 23 SER CA C 23 58.344 58.343 0.001 1
1 174 . 4 1 1 A 23 23 SER CB C 23 64.237 64.049 0.188 1
1 175 . 4 1 1 A 23 23 SER N N 23 119.004 118.914 0.090 1
1 176 . 4 1 1 A 24 24 ILE H H 24 9.444 9.291 0.153 1
1 177 . 4 1 1 A 24 24 ILE HA H 24 4.502 4.646 -0.144 1
1 187 . 4 1 1 A 24 24 ILE C C 24 173.590 174.793 -1.203 1
1 188 . 4 1 1 A 24 24 ILE CA C 24 59.145 58.048 1.097 1
1 189 . 4 1 1 A 24 24 ILE CB C 24 40.620 38.859 1.761 1
1 193 . 4 1 1 A 24 24 ILE N N 24 129.205 127.096 2.109 1
1 194 . 4 1 1 A 25 25 PRO HA H 25 5.179 5.014 0.165 1
1 201 . 4 1 1 A 25 25 PRO C C 25 176.750 176.214 0.536 1
1 202 . 4 1 1 A 25 25 PRO CA C 25 61.740 62.138 -0.398 1
1 203 . 4 1 1 A 25 25 PRO CB C 25 32.010 31.851 0.159 1
1 206 . 4 1 1 A 26 26 LEU H H 26 8.720 8.961 -0.241 1
1 207 . 4 1 1 A 26 26 LEU HA H 26 4.731 4.989 -0.258 1
1 217 . 4 1 1 A 26 26 LEU C C 26 175.450 175.840 -0.390 1
1 218 . 4 1 1 A 26 26 LEU CA C 26 54.731 53.080 1.651 1
1 219 . 4 1 1 A 26 26 LEU CB C 26 47.766 45.903 1.863 1
1 223 . 4 1 1 A 26 26 LEU N N 26 122.986 123.815 -0.829 1
1 224 . 4 1 1 A 27 27 SER H H 27 8.404 8.724 -0.320 1
1 225 . 4 1 1 A 27 27 SER HA H 27 5.504 5.439 0.065 1
1 228 . 4 1 1 A 27 27 SER C C 27 174.498 173.413 1.085 1
1 229 . 4 1 1 A 27 27 SER CA C 27 57.000 57.785 -0.785 1
1 230 . 4 1 1 A 27 27 SER CB C 27 63.850 64.945 -1.095 1
1 231 . 4 1 1 A 27 27 SER N N 27 118.151 118.756 -0.605 1
1 232 . 4 1 1 A 28 28 VAL H H 28 8.743 8.525 0.218 1
1 233 . 4 1 1 A 28 28 VAL HA H 28 4.792 4.992 -0.200 1
1 241 . 4 1 1 A 28 28 VAL C C 28 174.250 174.797 -0.547 1
1 242 . 4 1 1 A 28 28 VAL CA C 28 58.792 59.288 -0.496 1
1 243 . 4 1 1 A 28 28 VAL CB C 28 36.600 35.220 1.380 1
1 246 . 4 1 1 A 28 28 VAL N N 28 118.097 119.550 -1.453 1
1 247 . 4 1 1 A 29 29 SER H H 29 8.694 8.654 0.040 1
1 248 . 4 1 1 A 29 29 SER HA H 29 4.960 4.746 0.214 1
1 251 . 4 1 1 A 29 29 SER C C 29 175.159 174.207 0.952 1
1 252 . 4 1 1 A 29 29 SER CA C 29 55.925 56.700 -0.775 1
1 253 . 4 1 1 A 29 29 SER CB C 29 64.080 63.236 0.844 1
1 254 . 4 1 1 A 29 29 SER N N 29 116.965 118.302 -1.337 1
1 255 . 4 1 1 A 30 30 PRO HA H 30 4.277 4.421 -0.144 1
1 262 . 4 1 1 A 30 30 PRO C C 30 175.705 177.608 -1.903 1
1 263 . 4 1 1 A 30 30 PRO CA C 30 64.825 64.652 0.173 1
1 264 . 4 1 1 A 30 30 PRO CB C 30 32.074 31.905 0.169 1
1 267 . 4 1 1 A 31 31 ASP H H 31 7.818 8.609 -0.791 1
1 268 . 4 1 1 A 31 31 ASP HA H 31 4.725 4.610 0.115 1
1 271 . 4 1 1 A 31 31 ASP C C 31 175.040 176.359 -1.319 1
1 272 . 4 1 1 A 31 31 ASP CA C 31 54.160 54.638 -0.478 1
1 273 . 4 1 1 A 31 31 ASP CB C 31 41.590 41.086 0.504 1
1 274 . 4 1 1 A 31 31 ASP N N 31 114.503 117.039 -2.536 1
1 275 . 4 1 1 A 32 32 CYS H H 32 7.657 7.459 0.198 1
1 276 . 4 1 1 A 32 32 CYS HA H 32 4.483 4.745 -0.262 1
1 279 . 4 1 1 A 32 32 CYS C C 32 174.805 174.740 0.065 1
1 280 . 4 1 1 A 32 32 CYS CA C 32 59.510 58.578 0.932 1
1 281 . 4 1 1 A 32 32 CYS CB C 32 28.010 29.205 -1.195 1
1 282 . 4 1 1 A 32 32 CYS N N 32 119.852 119.057 0.795 1
1 283 . 4 1 1 A 33 33 THR H H 33 8.992 8.839 0.153 1
1 284 . 4 1 1 A 33 33 THR HA H 33 4.861 4.783 0.078 1
1 289 . 4 1 1 A 33 33 THR C C 33 176.350 176.229 0.121 1
1 290 . 4 1 1 A 33 33 THR CA C 33 61.165 60.735 0.430 1
1 291 . 4 1 1 A 33 33 THR CB C 33 71.968 71.216 0.752 1
1 293 . 4 1 1 A 33 33 THR N N 33 115.278 113.474 1.804 1
1 294 . 4 1 1 A 34 34 VAL H H 34 8.558 8.663 -0.105 1
1 295 . 4 1 1 A 34 34 VAL HA H 34 3.384 3.850 -0.466 1
1 303 . 4 1 1 A 34 34 VAL C C 34 177.880 177.724 0.156 1
1 304 . 4 1 1 A 34 34 VAL CA C 34 67.050 65.415 1.635 1
1 305 . 4 1 1 A 34 34 VAL CB C 34 31.303 31.491 -0.188 1
1 308 . 4 1 1 A 34 34 VAL N N 34 123.274 119.858 3.416 1
1 309 . 4 1 1 A 35 35 LYS H H 35 8.316 8.010 0.306 1
1 310 . 4 1 1 A 35 35 LYS HA H 35 3.758 3.945 -0.187 1
1 319 . 4 1 1 A 35 35 LYS C C 35 178.180 178.185 -0.005 1
1 320 . 4 1 1 A 35 35 LYS CA C 35 60.812 59.160 1.652 1
1 321 . 4 1 1 A 35 35 LYS CB C 35 32.610 31.926 0.684 1
1 325 . 4 1 1 A 35 35 LYS N N 35 119.813 121.010 -1.197 1
1 326 . 4 1 1 A 36 36 ASP H H 36 7.959 8.152 -0.193 1
1 327 . 4 1 1 A 36 36 ASP HA H 36 4.414 4.431 -0.017 1
1 330 . 4 1 1 A 36 36 ASP C C 36 179.395 178.579 0.816 1
1 331 . 4 1 1 A 36 36 ASP CA C 36 57.360 57.060 0.300 1
1 332 . 4 1 1 A 36 36 ASP CB C 36 40.350 41.175 -0.825 1
1 333 . 4 1 1 A 36 36 ASP N N 36 120.728 119.987 0.741 1
1 334 . 4 1 1 A 37 37 LEU H H 37 8.147 8.029 0.118 1
1 335 . 4 1 1 A 37 37 LEU HA H 37 3.976 3.955 0.021 1
1 345 . 4 1 1 A 37 37 LEU C C 37 178.630 179.382 -0.752 1
1 346 . 4 1 1 A 37 37 LEU CA C 37 58.210 57.932 0.278 1
1 347 . 4 1 1 A 37 37 LEU CB C 37 41.470 41.614 -0.144 1
1 351 . 4 1 1 A 37 37 LEU N N 37 123.841 119.371 4.470 1
1 352 . 4 1 1 A 38 38 LYS H H 38 8.308 8.225 0.083 1
1 353 . 4 1 1 A 38 38 LYS HA H 38 4.505 3.936 0.569 1
1 362 . 4 1 1 A 38 38 LYS C C 38 180.780 179.847 0.933 1
1 363 . 4 1 1 A 38 38 LYS CA C 38 59.910 59.487 0.423 1
1 364 . 4 1 1 A 38 38 LYS CB C 38 34.270 32.025 2.245 1
1 368 . 4 1 1 A 38 38 LYS N N 38 117.736 119.455 -1.719 1
1 369 . 4 1 1 A 39 39 SER H H 39 7.952 8.108 -0.156 1
1 370 . 4 1 1 A 39 39 SER HA H 39 4.230 4.232 -0.002 1
1 373 . 4 1 1 A 39 39 SER C C 39 177.240 176.305 0.935 1
1 374 . 4 1 1 A 39 39 SER CA C 39 62.440 61.590 0.850 1
1 375 . 4 1 1 A 39 39 SER CB C 39 62.670 62.874 -0.204 1
1 376 . 4 1 1 A 39 39 SER N N 39 115.100 116.789 -1.689 1
1 377 . 4 1 1 A 40 40 GLN H H 40 7.899 7.134 0.765 1
1 378 . 4 1 1 A 40 40 GLN HA H 40 4.125 4.261 -0.136 1
1 385 . 4 1 1 A 40 40 GLN C C 40 178.330 178.129 0.201 1
1 386 . 4 1 1 A 40 40 GLN CA C 40 59.045 58.308 0.737 1
1 387 . 4 1 1 A 40 40 GLN CB C 40 28.893 28.806 0.087 1
1 389 . 4 1 1 A 40 40 GLN N N 40 121.600 121.445 0.155 1
1 391 . 4 1 1 A 41 41 LEU H H 41 8.010 8.410 -0.400 1
1 392 . 4 1 1 A 41 41 LEU HA H 41 4.130 4.180 -0.050 1
1 402 . 4 1 1 A 41 41 LEU C C 41 179.980 178.986 0.994 1
1 403 . 4 1 1 A 41 41 LEU CA C 41 56.472 56.782 -0.310 1
1 404 . 4 1 1 A 41 41 LEU CB C 41 42.660 41.651 1.009 1
1 408 . 4 1 1 A 41 41 LEU N N 41 116.657 119.548 -2.891 1
1 409 . 4 1 1 A 42 42 GLN H H 42 7.903 8.346 -0.443 1
1 410 . 4 1 1 A 42 42 GLN HA H 42 4.180 4.165 0.015 1
1 417 . 4 1 1 A 42 42 GLN C C 42 174.350 174.458 -0.108 1
1 418 . 4 1 1 A 42 42 GLN CA C 42 61.300 61.029 0.271 1
1 419 . 4 1 1 A 42 42 GLN CB C 42 25.250 26.284 -1.034 1
1 421 . 4 1 1 A 42 42 GLN N N 42 125.104 120.459 4.645 1
1 423 . 4 1 1 A 43 43 PRO HA H 43 4.410 4.418 -0.008 1
1 430 . 4 1 1 A 43 43 PRO C C 43 177.270 177.885 -0.615 1
1 431 . 4 1 1 A 43 43 PRO CA C 43 65.130 64.960 0.170 1
1 432 . 4 1 1 A 43 43 PRO CB C 43 31.208 31.323 -0.115 1
1 435 . 4 1 1 A 44 44 ILE H H 44 6.568 7.706 -1.138 1
1 436 . 4 1 1 A 44 44 ILE HA H 44 3.959 4.036 -0.077 1
1 446 . 4 1 1 A 44 44 ILE C C 44 177.060 177.646 -0.586 1
1 447 . 4 1 1 A 44 44 ILE CA C 44 63.670 63.270 0.400 1
1 448 . 4 1 1 A 44 44 ILE CB C 44 40.270 39.098 1.172 1
1 452 . 4 1 1 A 44 44 ILE N N 44 114.765 116.622 -1.857 1
1 453 . 4 1 1 A 45 45 THR H H 45 7.826 7.970 -0.144 1
1 454 . 4 1 1 A 45 45 THR HA H 45 4.202 4.335 -0.133 1
1 459 . 4 1 1 A 45 45 THR C C 45 174.990 175.548 -0.558 1
1 460 . 4 1 1 A 45 45 THR CA C 45 62.696 61.540 1.156 1
1 461 . 4 1 1 A 45 45 THR CB C 45 71.682 70.678 1.004 1
1 463 . 4 1 1 A 45 45 THR N N 45 107.323 108.909 -1.586 1
1 464 . 4 1 1 A 46 46 ASN H H 46 8.660 8.271 0.389 1
1 465 . 4 1 1 A 46 46 ASN HA H 46 4.381 4.403 -0.022 1
1 470 . 4 1 1 A 46 46 ASN C C 46 173.900 173.638 0.262 1
1 471 . 4 1 1 A 46 46 ASN CA C 46 54.890 54.769 0.121 1
1 472 . 4 1 1 A 46 46 ASN CB C 46 38.207 37.187 1.020 1
1 473 . 4 1 1 A 46 46 ASN N N 46 117.586 116.139 1.447 1
1 475 . 4 1 1 A 47 47 VAL H H 47 7.517 7.356 0.161 1
1 476 . 4 1 1 A 47 47 VAL HA H 47 4.134 4.382 -0.248 1
1 484 . 4 1 1 A 47 47 VAL C C 47 176.140 175.422 0.718 1
1 485 . 4 1 1 A 47 47 VAL CA C 47 61.763 61.063 0.700 1
1 486 . 4 1 1 A 47 47 VAL CB C 47 32.925 33.117 -0.192 1
1 489 . 4 1 1 A 47 47 VAL N N 47 119.901 119.649 0.252 1
1 490 . 4 1 1 A 48 48 LEU H H 48 8.650 8.557 0.093 1
1 491 . 4 1 1 A 48 48 LEU HA H 48 4.194 4.404 -0.210 1
1 501 . 4 1 1 A 48 48 LEU C C 48 177.110 177.151 -0.041 1
1 502 . 4 1 1 A 48 48 LEU CA C 48 54.491 53.579 0.912 1
1 503 . 4 1 1 A 48 48 LEU CB C 48 41.171 41.568 -0.397 1
1 507 . 4 1 1 A 48 48 LEU N N 48 128.467 126.820 1.647 1
1 508 . 4 1 1 A 49 49 PRO HA H 49 3.923 4.314 -0.391 1
1 515 . 4 1 1 A 49 49 PRO C C 49 178.430 177.862 0.568 1
1 516 . 4 1 1 A 49 49 PRO CA C 49 67.000 65.026 1.974 1
1 517 . 4 1 1 A 49 49 PRO CB C 49 32.456 32.130 0.326 1
1 520 . 4 1 1 A 50 50 ARG H H 50 8.331 8.152 0.179 1
1 521 . 4 1 1 A 50 50 ARG HA H 50 4.239 4.040 0.199 1
1 528 . 4 1 1 A 50 50 ARG C C 50 176.940 178.892 -1.952 1
1 529 . 4 1 1 A 50 50 ARG CA C 50 58.130 59.575 -1.445 1
1 530 . 4 1 1 A 50 50 ARG CB C 50 29.200 29.785 -0.585 1
1 533 . 4 1 1 A 50 50 ARG N N 50 114.500 118.380 -3.880 1
1 534 . 4 1 1 A 51 51 GLY H H 51 8.199 8.140 0.059 1
1 535 . 4 1 1 A 51 51 GLY HA2 H 51 3.605 3.833 -0.228 1
1 536 . 4 1 1 A 51 51 GLY HA3 H 51 4.335 3.840 0.495 1
1 537 . 4 1 1 A 51 51 GLY C C 51 173.340 175.147 -1.807 1
1 538 . 4 1 1 A 51 51 GLY CA C 51 44.750 47.149 -2.399 1
1 539 . 4 1 1 A 51 51 GLY N N 51 107.942 107.183 0.759 1
1 540 . 4 1 1 A 52 52 GLN H H 52 7.475 7.506 -0.031 1
1 541 . 4 1 1 A 52 52 GLN HA H 52 4.315 4.481 -0.166 1
1 548 . 4 1 1 A 52 52 GLN C C 52 175.770 174.782 0.988 1
1 549 . 4 1 1 A 52 52 GLN CA C 52 56.023 55.476 0.547 1
1 550 . 4 1 1 A 52 52 GLN CB C 52 31.494 28.458 3.036 1
1 552 . 4 1 1 A 52 52 GLN N N 52 119.769 119.365 0.404 1
1 554 . 4 1 1 A 53 53 LYS H H 53 8.586 8.650 -0.064 1
1 555 . 4 1 1 A 53 53 LYS HA H 53 4.500 4.706 -0.206 1
1 564 . 4 1 1 A 53 53 LYS C C 53 174.080 175.486 -1.406 1
1 565 . 4 1 1 A 53 53 LYS CA C 53 55.950 55.318 0.632 1
1 566 . 4 1 1 A 53 53 LYS CB C 53 34.690 33.398 1.292 1
1 570 . 4 1 1 A 53 53 LYS N N 53 123.759 125.249 -1.490 1
1 571 . 4 1 1 A 54 54 LEU H H 54 8.900 8.929 -0.029 1
1 572 . 4 1 1 A 54 54 LEU HA H 54 5.271 4.656 0.615 1
1 582 . 4 1 1 A 54 54 LEU C C 54 174.940 176.071 -1.131 1
1 583 . 4 1 1 A 54 54 LEU CA C 54 53.250 54.608 -1.358 1
1 584 . 4 1 1 A 54 54 LEU CB C 54 45.042 40.694 4.348 1
1 588 . 4 1 1 A 54 54 LEU N N 54 126.200 126.460 -0.260 1
1 589 . 4 1 1 A 55 55 ILE H H 55 9.330 9.151 0.179 1
1 590 . 4 1 1 A 55 55 ILE HA H 55 4.886 4.749 0.137 1
1 600 . 4 1 1 A 55 55 ILE C C 55 175.623 174.609 1.014 1
1 601 . 4 1 1 A 55 55 ILE CA C 55 59.402 60.469 -1.067 1
1 602 . 4 1 1 A 55 55 ILE CB C 55 40.270 37.735 2.535 1
1 606 . 4 1 1 A 55 55 ILE N N 55 123.589 125.506 -1.917 1
1 607 . 4 1 1 A 56 56 PHE H H 56 9.241 9.209 0.032 1
1 608 . 4 1 1 A 56 56 PHE HA H 56 5.212 4.792 0.420 1
1 615 . 4 1 1 A 56 56 PHE C C 56 174.600 175.189 -0.589 1
1 616 . 4 1 1 A 56 56 PHE CA C 56 55.936 57.485 -1.549 1
1 617 . 4 1 1 A 56 56 PHE CB C 56 42.830 41.275 1.555 1
1 622 . 4 1 1 A 56 56 PHE N N 56 127.423 128.570 -1.147 1
1 625 . 4 1 1 A 57 57 LYS H H 57 9.307 9.394 -0.087 1
1 626 . 4 1 1 A 57 57 LYS HA H 57 3.630 3.627 0.003 1
1 635 . 4 1 1 A 57 57 LYS C C 57 176.620 176.575 0.045 1
1 636 . 4 1 1 A 57 57 LYS CA C 57 57.495 57.178 0.317 1
1 637 . 4 1 1 A 57 57 LYS CB C 57 30.100 29.887 0.213 1
1 641 . 4 1 1 A 57 57 LYS N N 57 128.612 128.082 0.530 1
1 642 . 4 1 1 A 58 58 GLY H H 58 8.288 8.518 -0.230 1
1 643 . 4 1 1 A 58 58 GLY HA2 H 58 3.487 3.815 -0.328 1
1 644 . 4 1 1 A 58 58 GLY HA3 H 58 4.098 3.826 0.272 1
1 645 . 4 1 1 A 58 58 GLY C C 58 173.568 173.603 -0.035 1
1 646 . 4 1 1 A 58 58 GLY CA C 58 45.475 45.407 0.068 1
1 647 . 4 1 1 A 58 58 GLY N N 58 102.757 105.263 -2.506 1
1 648 . 4 1 1 A 59 59 LYS H H 59 7.900 7.769 0.131 1
1 649 . 4 1 1 A 59 59 LYS HA H 59 4.667 4.774 -0.107 1
1 658 . 4 1 1 A 59 59 LYS C C 59 174.830 175.516 -0.686 1
1 659 . 4 1 1 A 59 59 LYS CA C 59 55.222 54.865 0.357 1
1 660 . 4 1 1 A 59 59 LYS CB C 59 35.010 35.284 -0.274 1
1 664 . 4 1 1 A 59 59 LYS N N 59 121.753 121.160 0.593 1
1 665 . 4 1 1 A 60 60 VAL H H 60 8.587 8.518 0.069 1
1 666 . 4 1 1 A 60 60 VAL HA H 60 4.209 4.553 -0.344 1
1 674 . 4 1 1 A 60 60 VAL C C 60 177.380 176.306 1.074 1
1 675 . 4 1 1 A 60 60 VAL CA C 60 63.080 62.631 0.449 1
1 676 . 4 1 1 A 60 60 VAL CB C 60 32.101 32.965 -0.864 1
1 679 . 4 1 1 A 60 60 VAL N N 60 123.795 126.053 -2.258 1
1 680 . 4 1 1 A 61 61 LEU H H 61 8.876 8.314 0.562 1
1 681 . 4 1 1 A 61 61 LEU HA H 61 4.430 4.418 0.012 1
1 691 . 4 1 1 A 61 61 LEU C C 61 176.660 177.535 -0.875 1
1 692 . 4 1 1 A 61 61 LEU CA C 61 54.760 54.585 0.175 1
1 693 . 4 1 1 A 61 61 LEU CB C 61 43.060 42.222 0.838 1
1 697 . 4 1 1 A 61 61 LEU N N 61 129.083 127.612 1.471 1
1 698 . 4 1 1 A 62 62 VAL H H 62 8.759 8.637 0.122 1
1 699 . 4 1 1 A 62 62 VAL HA H 62 3.989 3.983 0.006 1
1 707 . 4 1 1 A 62 62 VAL C C 62 178.390 175.950 2.440 1
1 708 . 4 1 1 A 62 62 VAL CA C 62 63.077 63.647 -0.570 1
1 709 . 4 1 1 A 62 62 VAL CB C 62 32.440 31.742 0.698 1
1 712 . 4 1 1 A 62 62 VAL N N 62 124.193 123.379 0.814 1
1 713 . 4 1 1 A 63 63 GLU H H 63 8.806 8.868 -0.062 1
1 714 . 4 1 1 A 63 63 GLU HA H 63 3.757 4.073 -0.316 1
1 719 . 4 1 1 A 63 63 GLU C C 63 176.500 177.653 -1.153 1
1 720 . 4 1 1 A 63 63 GLU CA C 63 60.509 59.626 0.883 1
1 721 . 4 1 1 A 63 63 GLU CB C 63 30.580 29.228 1.352 1
1 723 . 4 1 1 A 63 63 GLU N N 63 125.296 126.008 -0.712 1
1 724 . 4 1 1 A 64 64 THR H H 64 7.100 7.579 -0.479 1
1 725 . 4 1 1 A 64 64 THR HA H 64 4.279 4.346 -0.067 1
1 730 . 4 1 1 A 64 64 THR C C 64 175.290 173.629 1.661 1
1 731 . 4 1 1 A 64 64 THR CA C 64 61.466 62.332 -0.866 1
1 732 . 4 1 1 A 64 64 THR CB C 64 68.840 69.308 -0.468 1
1 734 . 4 1 1 A 64 64 THR N N 64 102.822 109.447 -6.625 1
1 735 . 4 1 1 A 65 65 SER H H 65 7.749 7.884 -0.135 1
1 736 . 4 1 1 A 65 65 SER HA H 65 4.676 4.871 -0.195 1
1 739 . 4 1 1 A 65 65 SER C C 65 174.300 173.561 0.739 1
1 740 . 4 1 1 A 65 65 SER CA C 65 58.060 56.402 1.658 1
1 741 . 4 1 1 A 65 65 SER CB C 65 64.950 65.765 -0.815 1
1 742 . 4 1 1 A 65 65 SER N N 65 117.966 118.694 -0.728 1
1 743 . 4 1 1 A 66 66 THR H H 66 8.512 8.715 -0.203 1
1 744 . 4 1 1 A 66 66 THR HA H 66 5.032 4.923 0.109 1
1 750 . 4 1 1 A 66 66 THR C C 66 177.300 176.198 1.102 1
1 751 . 4 1 1 A 66 66 THR CA C 66 60.200 60.252 -0.052 1
1 752 . 4 1 1 A 66 66 THR CB C 66 71.550 71.446 0.104 1
1 754 . 4 1 1 A 66 66 THR N N 66 111.490 114.577 -3.087 1
1 755 . 4 1 1 A 67 67 LEU H H 67 8.451 8.742 -0.291 1
1 756 . 4 1 1 A 67 67 LEU HA H 67 3.753 3.923 -0.170 1
1 766 . 4 1 1 A 67 67 LEU C C 67 179.170 178.889 0.281 1
1 767 . 4 1 1 A 67 67 LEU CA C 67 59.234 58.416 0.818 1
1 768 . 4 1 1 A 67 67 LEU CB C 67 38.897 41.394 -2.497 1
1 772 . 4 1 1 A 67 67 LEU N N 67 122.302 123.565 -1.263 1
1 773 . 4 1 1 A 68 68 LYS H H 68 8.313 8.014 0.299 1
1 774 . 4 1 1 A 68 68 LYS HA H 68 4.090 3.916 0.174 1
1 783 . 4 1 1 A 68 68 LYS C C 68 180.950 178.704 2.246 1
1 784 . 4 1 1 A 68 68 LYS CA C 68 59.620 59.843 -0.223 1
1 785 . 4 1 1 A 68 68 LYS CB C 68 32.490 32.394 0.096 1
1 789 . 4 1 1 A 68 68 LYS N N 68 120.066 120.379 -0.313 1
1 790 . 4 1 1 A 69 69 GLN H H 69 8.019 7.882 0.137 1
1 791 . 4 1 1 A 69 69 GLN HA H 69 4.086 4.032 0.054 1
1 798 . 4 1 1 A 69 69 GLN C C 69 177.840 177.685 0.155 1
1 799 . 4 1 1 A 69 69 GLN CA C 69 58.260 59.085 -0.825 1
1 800 . 4 1 1 A 69 69 GLN CB C 69 28.580 28.046 0.534 1
1 802 . 4 1 1 A 69 69 GLN N N 69 119.594 118.763 0.831 1
1 804 . 4 1 1 A 70 70 SER H H 70 7.544 7.828 -0.284 1
1 805 . 4 1 1 A 70 70 SER HA H 70 4.517 4.543 -0.026 1
1 808 . 4 1 1 A 70 70 SER C C 70 171.870 172.873 -1.003 1
1 809 . 4 1 1 A 70 70 SER CA C 70 58.920 58.234 0.686 1
1 810 . 4 1 1 A 70 70 SER CB C 70 64.446 63.322 1.124 1
1 811 . 4 1 1 A 70 70 SER N N 70 114.028 111.804 2.224 1
1 812 . 4 1 1 A 71 71 ASP H H 71 7.882 7.766 0.116 1
1 813 . 4 1 1 A 71 71 ASP HA H 71 4.278 4.334 -0.056 1
1 816 . 4 1 1 A 71 71 ASP C C 71 174.050 174.991 -0.941 1
1 817 . 4 1 1 A 71 71 ASP CA C 71 55.660 55.537 0.123 1
1 818 . 4 1 1 A 71 71 ASP CB C 71 39.540 40.068 -0.528 1
1 819 . 4 1 1 A 71 71 ASP N N 71 116.055 118.580 -2.525 1
1 820 . 4 1 1 A 72 72 VAL H H 72 7.723 7.727 -0.004 1
1 821 . 4 1 1 A 72 72 VAL HA H 72 3.285 3.728 -0.443 1
1 829 . 4 1 1 A 72 72 VAL C C 72 173.980 175.088 -1.108 1
1 830 . 4 1 1 A 72 72 VAL CA C 72 62.744 61.873 0.871 1
1 831 . 4 1 1 A 72 72 VAL CB C 72 30.727 30.036 0.691 1
1 834 . 4 1 1 A 72 72 VAL N N 72 119.423 119.477 -0.054 1
1 835 . 4 1 1 A 73 73 GLY H H 73 7.722 8.431 -0.709 1
1 836 . 4 1 1 A 73 73 GLY HA2 H 73 3.590 4.103 -0.513 1
1 837 . 4 1 1 A 73 73 GLY HA3 H 73 4.416 4.121 0.295 1
1 838 . 4 1 1 A 73 73 GLY C C 73 172.450 172.738 -0.288 1
1 839 . 4 1 1 A 73 73 GLY CA C 73 42.820 44.285 -1.465 1
1 840 . 4 1 1 A 73 73 GLY N N 73 114.445 115.726 -1.281 1
1 841 . 4 1 1 A 74 74 SER H H 74 8.552 8.453 0.099 1
1 842 . 4 1 1 A 74 74 SER HA H 74 4.365 4.232 0.133 1
1 845 . 4 1 1 A 74 74 SER C C 74 177.240 175.068 2.172 1
1 846 . 4 1 1 A 74 74 SER CA C 74 60.420 60.090 0.330 1
1 847 . 4 1 1 A 74 74 SER CB C 74 63.350 62.650 0.700 1
1 848 . 4 1 1 A 74 74 SER N N 74 111.883 116.254 -4.371 1
1 849 . 4 1 1 A 75 75 GLY H H 75 9.718 9.072 0.646 1
1 850 . 4 1 1 A 75 75 GLY HA2 H 75 3.693 4.035 -0.342 1
1 851 . 4 1 1 A 75 75 GLY HA3 H 75 4.328 4.039 0.289 1
1 852 . 4 1 1 A 75 75 GLY C C 75 174.500 174.629 -0.129 1
1 853 . 4 1 1 A 75 75 GLY CA C 75 44.990 45.203 -0.213 1
1 854 . 4 1 1 A 75 75 GLY N N 75 115.986 114.881 1.105 1
1 855 . 4 1 1 A 76 76 ALA H H 76 7.939 7.907 0.032 1
1 856 . 4 1 1 A 76 76 ALA HA H 76 4.363 4.498 -0.135 1
1 860 . 4 1 1 A 76 76 ALA C C 76 176.170 177.166 -0.996 1
1 861 . 4 1 1 A 76 76 ALA CA C 76 53.372 52.509 0.863 1
1 862 . 4 1 1 A 76 76 ALA CB C 76 21.400 19.497 1.903 1
1 863 . 4 1 1 A 76 76 ALA N N 76 123.830 123.467 0.363 1
1 864 . 4 1 1 A 77 77 LYS H H 77 8.435 8.940 -0.505 1
1 865 . 4 1 1 A 77 77 LYS HA H 77 5.195 4.816 0.379 1
1 874 . 4 1 1 A 77 77 LYS C C 77 175.450 175.329 0.121 1
1 875 . 4 1 1 A 77 77 LYS CA C 77 54.930 55.419 -0.489 1
1 876 . 4 1 1 A 77 77 LYS CB C 77 33.520 33.000 0.520 1
1 880 . 4 1 1 A 77 77 LYS N N 77 120.636 122.975 -2.339 1
1 881 . 4 1 1 A 78 78 LEU H H 78 9.016 9.255 -0.239 1
1 882 . 4 1 1 A 78 78 LEU HA H 78 5.225 4.821 0.404 1
1 892 . 4 1 1 A 78 78 LEU C C 78 175.970 175.437 0.533 1
1 893 . 4 1 1 A 78 78 LEU CA C 78 53.700 54.135 -0.435 1
1 894 . 4 1 1 A 78 78 LEU CB C 78 45.250 42.980 2.270 1
1 898 . 4 1 1 A 78 78 LEU N N 78 123.751 126.011 -2.260 1
1 899 . 4 1 1 A 79 79 MET H H 79 8.983 9.029 -0.046 1
1 900 . 4 1 1 A 79 79 MET HA H 79 5.163 4.820 0.343 1
1 905 . 4 1 1 A 79 79 MET C C 79 173.970 174.907 -0.937 1
1 906 . 4 1 1 A 79 79 MET CA C 79 55.508 54.059 1.449 1
1 907 . 4 1 1 A 79 79 MET CB C 79 35.180 33.474 1.706 1
1 909 . 4 1 1 A 79 79 MET N N 79 120.990 124.969 -3.979 1
1 910 . 4 1 1 A 80 80 LEU H H 80 8.905 8.511 0.394 1
1 911 . 4 1 1 A 80 80 LEU HA H 80 5.235 5.052 0.183 1
1 921 . 4 1 1 A 80 80 LEU C C 80 174.730 175.079 -0.349 1
1 922 . 4 1 1 A 80 80 LEU CA C 80 54.071 53.692 0.379 1
1 923 . 4 1 1 A 80 80 LEU CB C 80 43.540 43.891 -0.351 1
1 927 . 4 1 1 A 81 81 MET H H 81 9.229 8.708 0.521 1
1 928 . 4 1 1 A 81 81 MET HA H 81 4.960 4.778 0.182 1
1 936 . 4 1 1 A 81 81 MET C C 81 174.450 175.260 -0.810 1
1 937 . 4 1 1 A 81 81 MET CA C 81 53.830 54.633 -0.803 1
1 938 . 4 1 1 A 81 81 MET CB C 81 34.810 33.098 1.712 1
1 941 . 4 1 1 A 81 81 MET N N 81 125.712 127.775 -2.063 1
1 942 . 4 1 1 A 82 82 ALA H H 82 8.891 9.143 -0.252 1
1 943 . 4 1 1 A 82 82 ALA HA H 82 5.043 5.212 -0.169 1
1 947 . 4 1 1 A 82 82 ALA C C 82 177.470 175.804 1.666 1
1 948 . 4 1 1 A 82 82 ALA CA C 82 51.010 50.728 0.282 1
1 949 . 4 1 1 A 82 82 ALA CB C 82 21.124 23.215 -2.091 1
1 950 . 4 1 1 A 82 82 ALA N N 82 126.315 129.303 -2.988 1
1 951 . 4 1 1 A 83 83 SER H H 83 8.719 8.905 -0.186 1
1 952 . 4 1 1 A 83 83 SER HA H 83 4.497 4.623 -0.126 1
1 955 . 4 1 1 A 83 83 SER C C 83 174.360 174.545 -0.185 1
1 956 . 4 1 1 A 83 83 SER CA C 83 58.534 57.817 0.717 1
1 957 . 4 1 1 A 83 83 SER CB C 83 64.140 62.287 1.853 1
1 958 . 4 1 1 A 83 83 SER N N 83 117.987 116.438 1.549 1
1 959 . 4 1 1 A 84 84 GLN H H 84 8.629 8.673 -0.044 1
1 960 . 4 1 1 A 84 84 GLN HA H 84 4.449 4.228 0.221 1
1 967 . 4 1 1 A 84 84 GLN C C 84 175.370 176.007 -0.637 1
1 968 . 4 1 1 A 84 84 GLN CA C 84 55.890 57.466 -1.576 1
1 969 . 4 1 1 A 84 84 GLN CB C 84 29.860 30.129 -0.269 1
1 971 . 4 1 1 A 84 84 GLN N N 84 122.746 124.866 -2.120 1
1 1 . 5 1 1 A 10 10 HIS HA H 10 4.506 5.248 -0.742 1
1 4 . 5 1 1 A 10 10 HIS C C 10 176.040 174.425 1.615 1
1 5 . 5 1 1 A 10 10 HIS CA C 10 55.850 54.173 1.677 1
1 6 . 5 1 1 A 10 10 HIS CB C 10 33.250 32.778 0.472 1
1 7 . 5 1 1 A 11 11 SER H H 11 8.462 8.969 -0.507 1
1 8 . 5 1 1 A 11 11 SER HA H 11 4.516 3.939 0.577 1
1 10 . 5 1 1 A 11 11 SER C C 11 174.050 173.065 0.985 1
1 11 . 5 1 1 A 11 11 SER CA C 11 59.054 59.014 0.040 1
1 12 . 5 1 1 A 11 11 SER CB C 11 63.850 61.513 2.337 1
1 13 . 5 1 1 A 11 11 SER N N 11 117.900 115.032 2.868 1
1 14 . 5 1 1 A 12 12 THR H H 12 7.923 7.973 -0.050 1
1 15 . 5 1 1 A 12 12 THR HA H 12 4.581 5.245 -0.664 1
1 20 . 5 1 1 A 12 12 THR C C 12 174.140 174.079 0.061 1
1 21 . 5 1 1 A 12 12 THR CA C 12 61.245 59.296 1.949 1
1 22 . 5 1 1 A 12 12 THR CB C 12 71.940 71.918 0.022 1
1 24 . 5 1 1 A 12 12 THR N N 12 112.783 112.902 -0.119 1
1 25 . 5 1 1 A 13 13 ILE H H 13 9.201 9.152 0.049 1
1 26 . 5 1 1 A 13 13 ILE HA H 13 4.532 4.971 -0.439 1
1 36 . 5 1 1 A 13 13 ILE C C 13 173.930 174.986 -1.056 1
1 37 . 5 1 1 A 13 13 ILE CA C 13 59.720 58.838 0.882 1
1 38 . 5 1 1 A 13 13 ILE CB C 13 41.597 41.194 0.403 1
1 42 . 5 1 1 A 13 13 ILE N N 13 117.602 117.226 0.376 1
1 43 . 5 1 1 A 14 14 LYS H H 14 8.077 8.415 -0.338 1
1 44 . 5 1 1 A 14 14 LYS HA H 14 5.110 4.670 0.440 1
1 53 . 5 1 1 A 14 14 LYS C C 14 175.360 175.069 0.291 1
1 54 . 5 1 1 A 14 14 LYS CA C 14 55.200 56.007 -0.807 1
1 55 . 5 1 1 A 14 14 LYS CB C 14 33.130 33.018 0.112 1
1 59 . 5 1 1 A 14 14 LYS N N 14 122.699 122.289 0.410 1
1 60 . 5 1 1 A 15 15 LEU H H 15 8.953 9.583 -0.630 1
1 61 . 5 1 1 A 15 15 LEU HA H 15 5.025 4.941 0.084 1
1 71 . 5 1 1 A 15 15 LEU C C 15 176.400 176.136 0.264 1
1 72 . 5 1 1 A 15 15 LEU CA C 15 53.620 53.442 0.178 1
1 73 . 5 1 1 A 15 15 LEU CB C 15 45.380 44.112 1.268 1
1 77 . 5 1 1 A 15 15 LEU N N 15 121.650 126.608 -4.958 1
1 78 . 5 1 1 A 16 16 THR H H 16 8.412 8.934 -0.522 1
1 79 . 5 1 1 A 16 16 THR HA H 16 5.075 4.939 0.136 1
1 84 . 5 1 1 A 16 16 THR C C 16 173.070 173.595 -0.525 1
1 85 . 5 1 1 A 16 16 THR CA C 16 61.380 61.583 -0.203 1
1 86 . 5 1 1 A 16 16 THR CB C 16 71.700 70.205 1.495 1
1 88 . 5 1 1 A 16 16 THR N N 16 114.701 119.658 -4.957 1
1 89 . 5 1 1 A 17 17 VAL H H 17 9.083 9.125 -0.042 1
1 90 . 5 1 1 A 17 17 VAL HA H 17 4.600 4.471 0.129 1
1 98 . 5 1 1 A 17 17 VAL C C 17 174.570 175.335 -0.765 1
1 99 . 5 1 1 A 17 17 VAL CA C 17 61.005 62.137 -1.132 1
1 100 . 5 1 1 A 17 17 VAL CB C 17 33.600 31.796 1.804 1
1 103 . 5 1 1 A 17 17 VAL N N 17 125.565 127.455 -1.890 1
1 104 . 5 1 1 A 18 18 LYS H H 18 9.183 9.208 -0.025 1
1 105 . 5 1 1 A 18 18 LYS HA H 18 5.156 5.170 -0.014 1
1 114 . 5 1 1 A 18 18 LYS C C 18 175.150 175.350 -0.200 1
1 115 . 5 1 1 A 18 18 LYS CA C 18 54.630 55.155 -0.525 1
1 116 . 5 1 1 A 18 18 LYS CB C 18 33.217 32.824 0.393 1
1 120 . 5 1 1 A 18 18 LYS N N 18 129.200 128.051 1.149 1
1 121 . 5 1 1 A 19 19 PHE H H 19 8.927 9.031 -0.104 1
1 122 . 5 1 1 A 19 19 PHE HA H 19 5.377 4.640 0.737 1
1 129 . 5 1 1 A 19 19 PHE C C 19 175.850 176.720 -0.870 1
1 130 . 5 1 1 A 19 19 PHE CA C 19 55.330 57.040 -1.710 1
1 131 . 5 1 1 A 19 19 PHE CB C 19 41.690 37.394 4.296 1
1 136 . 5 1 1 A 19 19 PHE N N 19 126.659 124.822 1.837 1
1 139 . 5 1 1 A 20 20 GLY H H 20 9.275 8.552 0.723 1
1 140 . 5 1 1 A 20 20 GLY HA2 H 20 3.580 3.884 -0.304 1
1 141 . 5 1 1 A 20 20 GLY HA3 H 20 3.578 3.911 -0.333 1
1 142 . 5 1 1 A 20 20 GLY C C 20 175.090 174.819 0.271 1
1 143 . 5 1 1 A 20 20 GLY CA C 20 47.070 46.803 0.267 1
1 144 . 5 1 1 A 20 20 GLY N N 20 119.629 114.113 5.516 1
1 145 . 5 1 1 A 21 21 GLY H H 21 8.819 8.621 0.198 1
1 146 . 5 1 1 A 21 21 GLY HA2 H 21 3.942 4.097 -0.155 1
1 147 . 5 1 1 A 21 21 GLY HA3 H 21 3.942 4.103 -0.161 1
1 148 . 5 1 1 A 21 21 GLY C C 21 173.890 175.110 -1.220 1
1 149 . 5 1 1 A 21 21 GLY CA C 21 45.290 45.091 0.199 1
1 150 . 5 1 1 A 21 21 GLY N N 21 111.500 106.667 4.833 1
1 151 . 5 1 1 A 22 22 LYS H H 22 7.975 8.013 -0.038 1
1 152 . 5 1 1 A 22 22 LYS HA H 22 4.616 4.422 0.194 1
1 161 . 5 1 1 A 22 22 LYS C C 22 175.450 175.553 -0.103 1
1 162 . 5 1 1 A 22 22 LYS CA C 22 55.514 55.932 -0.418 1
1 163 . 5 1 1 A 22 22 LYS CB C 22 34.790 34.395 0.395 1
1 167 . 5 1 1 A 22 22 LYS N N 22 121.832 120.922 0.910 1
1 168 . 5 1 1 A 23 23 SER H H 23 8.722 8.826 -0.104 1
1 169 . 5 1 1 A 23 23 SER HA H 23 4.841 5.280 -0.439 1
1 172 . 5 1 1 A 23 23 SER C C 23 173.910 172.532 1.378 1
1 173 . 5 1 1 A 23 23 SER CA C 23 58.344 57.063 1.281 1
1 174 . 5 1 1 A 23 23 SER CB C 23 64.237 64.630 -0.393 1
1 175 . 5 1 1 A 23 23 SER N N 23 119.004 113.006 5.998 1
1 176 . 5 1 1 A 24 24 ILE H H 24 9.444 9.353 0.091 1
1 177 . 5 1 1 A 24 24 ILE HA H 24 4.502 4.698 -0.196 1
1 187 . 5 1 1 A 24 24 ILE C C 24 173.590 175.164 -1.574 1
1 188 . 5 1 1 A 24 24 ILE CA C 24 59.145 58.253 0.892 1
1 189 . 5 1 1 A 24 24 ILE CB C 24 40.620 38.730 1.890 1
1 193 . 5 1 1 A 24 24 ILE N N 24 129.205 127.226 1.979 1
1 194 . 5 1 1 A 25 25 PRO HA H 25 5.179 4.995 0.184 1
1 201 . 5 1 1 A 25 25 PRO C C 25 176.750 176.183 0.567 1
1 202 . 5 1 1 A 25 25 PRO CA C 25 61.740 62.317 -0.577 1
1 203 . 5 1 1 A 25 25 PRO CB C 25 32.010 31.753 0.257 1
1 206 . 5 1 1 A 26 26 LEU H H 26 8.720 8.899 -0.179 1
1 207 . 5 1 1 A 26 26 LEU HA H 26 4.731 5.015 -0.284 1
1 217 . 5 1 1 A 26 26 LEU C C 26 175.450 176.198 -0.748 1
1 218 . 5 1 1 A 26 26 LEU CA C 26 54.731 53.026 1.705 1
1 219 . 5 1 1 A 26 26 LEU CB C 26 47.766 46.489 1.277 1
1 223 . 5 1 1 A 26 26 LEU N N 26 122.986 123.940 -0.954 1
1 224 . 5 1 1 A 27 27 SER H H 27 8.404 8.709 -0.305 1
1 225 . 5 1 1 A 27 27 SER HA H 27 5.504 5.672 -0.168 1
1 228 . 5 1 1 A 27 27 SER C C 27 174.498 173.077 1.421 1
1 229 . 5 1 1 A 27 27 SER CA C 27 57.000 57.830 -0.830 1
1 230 . 5 1 1 A 27 27 SER CB C 27 63.850 65.161 -1.311 1
1 231 . 5 1 1 A 27 27 SER N N 27 118.151 119.215 -1.064 1
1 232 . 5 1 1 A 28 28 VAL H H 28 8.743 8.874 -0.131 1
1 233 . 5 1 1 A 28 28 VAL HA H 28 4.792 5.006 -0.214 1
1 241 . 5 1 1 A 28 28 VAL C C 28 174.250 174.102 0.148 1
1 242 . 5 1 1 A 28 28 VAL CA C 28 58.792 59.108 -0.316 1
1 243 . 5 1 1 A 28 28 VAL CB C 28 36.600 35.514 1.086 1
1 246 . 5 1 1 A 28 28 VAL N N 28 118.097 118.715 -0.618 1
1 247 . 5 1 1 A 29 29 SER H H 29 8.694 8.558 0.136 1
1 248 . 5 1 1 A 29 29 SER HA H 29 4.960 4.665 0.295 1
1 251 . 5 1 1 A 29 29 SER C C 29 175.159 174.397 0.762 1
1 252 . 5 1 1 A 29 29 SER CA C 29 55.925 55.487 0.438 1
1 253 . 5 1 1 A 29 29 SER CB C 29 64.080 63.390 0.690 1
1 254 . 5 1 1 A 29 29 SER N N 29 116.965 117.859 -0.894 1
1 255 . 5 1 1 A 30 30 PRO HA H 30 4.277 4.502 -0.225 1
1 262 . 5 1 1 A 30 30 PRO C C 30 175.705 176.954 -1.249 1
1 263 . 5 1 1 A 30 30 PRO CA C 30 64.825 64.446 0.379 1
1 264 . 5 1 1 A 30 30 PRO CB C 30 32.074 31.734 0.340 1
1 267 . 5 1 1 A 31 31 ASP H H 31 7.818 7.828 -0.010 1
1 268 . 5 1 1 A 31 31 ASP HA H 31 4.725 4.790 -0.065 1
1 271 . 5 1 1 A 31 31 ASP C C 31 175.040 176.032 -0.992 1
1 272 . 5 1 1 A 31 31 ASP CA C 31 54.160 53.953 0.207 1
1 273 . 5 1 1 A 31 31 ASP CB C 31 41.590 41.331 0.259 1
1 274 . 5 1 1 A 31 31 ASP N N 31 114.503 116.831 -2.328 1
1 275 . 5 1 1 A 32 32 CYS H H 32 7.657 7.453 0.204 1
1 276 . 5 1 1 A 32 32 CYS HA H 32 4.483 4.628 -0.145 1
1 279 . 5 1 1 A 32 32 CYS C C 32 174.805 174.700 0.105 1
1 280 . 5 1 1 A 32 32 CYS CA C 32 59.510 58.460 1.050 1
1 281 . 5 1 1 A 32 32 CYS CB C 32 28.010 28.281 -0.271 1
1 282 . 5 1 1 A 32 32 CYS N N 32 119.852 119.377 0.475 1
1 283 . 5 1 1 A 33 33 THR H H 33 8.992 8.513 0.479 1
1 284 . 5 1 1 A 33 33 THR HA H 33 4.861 4.619 0.242 1
1 289 . 5 1 1 A 33 33 THR C C 33 176.350 175.900 0.450 1
1 290 . 5 1 1 A 33 33 THR CA C 33 61.165 61.896 -0.731 1
1 291 . 5 1 1 A 33 33 THR CB C 33 71.968 69.946 2.022 1
1 293 . 5 1 1 A 33 33 THR N N 33 115.278 115.332 -0.054 1
1 294 . 5 1 1 A 34 34 VAL H H 34 8.558 8.993 -0.435 1
1 295 . 5 1 1 A 34 34 VAL HA H 34 3.384 3.783 -0.399 1
1 303 . 5 1 1 A 34 34 VAL C C 34 177.880 177.556 0.324 1
1 304 . 5 1 1 A 34 34 VAL CA C 34 67.050 65.138 1.912 1
1 305 . 5 1 1 A 34 34 VAL CB C 34 31.303 31.292 0.011 1
1 308 . 5 1 1 A 34 34 VAL N N 34 123.274 121.931 1.343 1
1 309 . 5 1 1 A 35 35 LYS H H 35 8.316 8.051 0.265 1
1 310 . 5 1 1 A 35 35 LYS HA H 35 3.758 3.970 -0.212 1
1 319 . 5 1 1 A 35 35 LYS C C 35 178.180 178.516 -0.336 1
1 320 . 5 1 1 A 35 35 LYS CA C 35 60.812 59.213 1.599 1
1 321 . 5 1 1 A 35 35 LYS CB C 35 32.610 32.100 0.510 1
1 325 . 5 1 1 A 35 35 LYS N N 35 119.813 121.218 -1.405 1
1 326 . 5 1 1 A 36 36 ASP H H 36 7.959 8.301 -0.342 1
1 327 . 5 1 1 A 36 36 ASP HA H 36 4.414 4.429 -0.015 1
1 330 . 5 1 1 A 36 36 ASP C C 36 179.395 178.614 0.781 1
1 331 . 5 1 1 A 36 36 ASP CA C 36 57.360 56.931 0.429 1
1 332 . 5 1 1 A 36 36 ASP CB C 36 40.350 41.409 -1.059 1
1 333 . 5 1 1 A 36 36 ASP N N 36 120.728 119.626 1.102 1
1 334 . 5 1 1 A 37 37 LEU H H 37 8.147 8.308 -0.161 1
1 335 . 5 1 1 A 37 37 LEU HA H 37 3.976 3.971 0.005 1
1 345 . 5 1 1 A 37 37 LEU C C 37 178.630 179.507 -0.877 1
1 346 . 5 1 1 A 37 37 LEU CA C 37 58.210 57.865 0.345 1
1 347 . 5 1 1 A 37 37 LEU CB C 37 41.470 41.679 -0.209 1
1 351 . 5 1 1 A 37 37 LEU N N 37 123.841 119.498 4.343 1
1 352 . 5 1 1 A 38 38 LYS H H 38 8.308 7.719 0.589 1
1 353 . 5 1 1 A 38 38 LYS HA H 38 4.505 4.011 0.494 1
1 362 . 5 1 1 A 38 38 LYS C C 38 180.780 180.038 0.742 1
1 363 . 5 1 1 A 38 38 LYS CA C 38 59.910 59.268 0.642 1
1 364 . 5 1 1 A 38 38 LYS CB C 38 34.270 32.137 2.133 1
1 368 . 5 1 1 A 38 38 LYS N N 38 117.736 119.069 -1.333 1
1 369 . 5 1 1 A 39 39 SER H H 39 7.952 7.640 0.312 1
1 370 . 5 1 1 A 39 39 SER HA H 39 4.230 4.228 0.002 1
1 373 . 5 1 1 A 39 39 SER C C 39 177.240 175.993 1.247 1
1 374 . 5 1 1 A 39 39 SER CA C 39 62.440 60.953 1.487 1
1 375 . 5 1 1 A 39 39 SER CB C 39 62.670 63.244 -0.574 1
1 376 . 5 1 1 A 39 39 SER N N 39 115.100 114.724 0.376 1
1 377 . 5 1 1 A 40 40 GLN H H 40 7.899 7.359 0.540 1
1 378 . 5 1 1 A 40 40 GLN HA H 40 4.125 4.305 -0.180 1
1 385 . 5 1 1 A 40 40 GLN C C 40 178.330 178.748 -0.418 1
1 386 . 5 1 1 A 40 40 GLN CA C 40 59.045 57.979 1.066 1
1 387 . 5 1 1 A 40 40 GLN CB C 40 28.893 29.491 -0.598 1
1 389 . 5 1 1 A 40 40 GLN N N 40 121.600 120.117 1.483 1
1 391 . 5 1 1 A 41 41 LEU H H 41 8.010 8.611 -0.601 1
1 392 . 5 1 1 A 41 41 LEU HA H 41 4.130 4.071 0.059 1
1 402 . 5 1 1 A 41 41 LEU C C 41 179.980 178.739 1.241 1
1 403 . 5 1 1 A 41 41 LEU CA C 41 56.472 57.794 -1.322 1
1 404 . 5 1 1 A 41 41 LEU CB C 41 42.660 41.670 0.990 1
1 408 . 5 1 1 A 41 41 LEU N N 41 116.657 119.743 -3.086 1
1 409 . 5 1 1 A 42 42 GLN H H 42 7.903 8.513 -0.610 1
1 410 . 5 1 1 A 42 42 GLN HA H 42 4.180 4.220 -0.040 1
1 417 . 5 1 1 A 42 42 GLN C C 42 174.350 174.489 -0.139 1
1 418 . 5 1 1 A 42 42 GLN CA C 42 61.300 61.065 0.235 1
1 419 . 5 1 1 A 42 42 GLN CB C 42 25.250 26.281 -1.031 1
1 421 . 5 1 1 A 42 42 GLN N N 42 125.104 119.949 5.155 1
1 423 . 5 1 1 A 43 43 PRO HA H 43 4.410 4.413 -0.003 1
1 430 . 5 1 1 A 43 43 PRO C C 43 177.270 177.807 -0.537 1
1 431 . 5 1 1 A 43 43 PRO CA C 43 65.130 64.957 0.173 1
1 432 . 5 1 1 A 43 43 PRO CB C 43 31.208 31.488 -0.280 1
1 435 . 5 1 1 A 44 44 ILE H H 44 6.568 7.855 -1.287 1
1 436 . 5 1 1 A 44 44 ILE HA H 44 3.959 4.081 -0.122 1
1 446 . 5 1 1 A 44 44 ILE C C 44 177.060 177.745 -0.685 1
1 447 . 5 1 1 A 44 44 ILE CA C 44 63.670 62.622 1.048 1
1 448 . 5 1 1 A 44 44 ILE CB C 44 40.270 38.881 1.389 1
1 452 . 5 1 1 A 44 44 ILE N N 44 114.765 116.491 -1.726 1
1 453 . 5 1 1 A 45 45 THR H H 45 7.826 8.307 -0.481 1
1 454 . 5 1 1 A 45 45 THR HA H 45 4.202 4.193 0.009 1
1 459 . 5 1 1 A 45 45 THR C C 45 174.990 175.165 -0.175 1
1 460 . 5 1 1 A 45 45 THR CA C 45 62.696 61.715 0.981 1
1 461 . 5 1 1 A 45 45 THR CB C 45 71.682 69.264 2.418 1
1 463 . 5 1 1 A 45 45 THR N N 45 107.323 109.361 -2.038 1
1 464 . 5 1 1 A 46 46 ASN H H 46 8.660 7.967 0.693 1
1 465 . 5 1 1 A 46 46 ASN HA H 46 4.381 4.597 -0.216 1
1 470 . 5 1 1 A 46 46 ASN C C 46 173.900 174.512 -0.612 1
1 471 . 5 1 1 A 46 46 ASN CA C 46 54.890 54.750 0.140 1
1 472 . 5 1 1 A 46 46 ASN CB C 46 38.207 37.142 1.065 1
1 473 . 5 1 1 A 46 46 ASN N N 46 117.586 116.263 1.323 1
1 475 . 5 1 1 A 47 47 VAL H H 47 7.517 7.836 -0.319 1
1 476 . 5 1 1 A 47 47 VAL HA H 47 4.134 4.040 0.094 1
1 484 . 5 1 1 A 47 47 VAL C C 47 176.140 175.194 0.946 1
1 485 . 5 1 1 A 47 47 VAL CA C 47 61.763 62.324 -0.561 1
1 486 . 5 1 1 A 47 47 VAL CB C 47 32.925 31.948 0.977 1
1 489 . 5 1 1 A 47 47 VAL N N 47 119.901 119.938 -0.037 1
1 490 . 5 1 1 A 48 48 LEU H H 48 8.650 8.483 0.167 1
1 491 . 5 1 1 A 48 48 LEU HA H 48 4.194 4.399 -0.205 1
1 501 . 5 1 1 A 48 48 LEU C C 48 177.110 177.244 -0.134 1
1 502 . 5 1 1 A 48 48 LEU CA C 48 54.491 53.611 0.880 1
1 503 . 5 1 1 A 48 48 LEU CB C 48 41.171 41.314 -0.143 1
1 507 . 5 1 1 A 48 48 LEU N N 48 128.467 127.302 1.165 1
1 508 . 5 1 1 A 49 49 PRO HA H 49 3.923 4.231 -0.308 1
1 515 . 5 1 1 A 49 49 PRO C C 49 178.430 177.889 0.541 1
1 516 . 5 1 1 A 49 49 PRO CA C 49 67.000 65.397 1.603 1
1 517 . 5 1 1 A 49 49 PRO CB C 49 32.456 31.980 0.476 1
1 520 . 5 1 1 A 50 50 ARG H H 50 8.331 8.232 0.099 1
1 521 . 5 1 1 A 50 50 ARG HA H 50 4.239 4.046 0.193 1
1 528 . 5 1 1 A 50 50 ARG C C 50 176.940 178.455 -1.515 1
1 529 . 5 1 1 A 50 50 ARG CA C 50 58.130 59.635 -1.505 1
1 530 . 5 1 1 A 50 50 ARG CB C 50 29.200 30.052 -0.852 1
1 533 . 5 1 1 A 50 50 ARG N N 50 114.500 118.588 -4.088 1
1 534 . 5 1 1 A 51 51 GLY H H 51 8.199 8.255 -0.056 1
1 535 . 5 1 1 A 51 51 GLY HA2 H 51 3.605 3.885 -0.280 1
1 536 . 5 1 1 A 51 51 GLY HA3 H 51 4.335 3.895 0.440 1
1 537 . 5 1 1 A 51 51 GLY C C 51 173.340 173.516 -0.176 1
1 538 . 5 1 1 A 51 51 GLY CA C 51 44.750 46.343 -1.593 1
1 539 . 5 1 1 A 51 51 GLY N N 51 107.942 106.380 1.562 1
1 540 . 5 1 1 A 52 52 GLN H H 52 7.475 7.717 -0.242 1
1 541 . 5 1 1 A 52 52 GLN HA H 52 4.315 4.786 -0.471 1
1 548 . 5 1 1 A 52 52 GLN C C 52 175.770 174.545 1.225 1
1 549 . 5 1 1 A 52 52 GLN CA C 52 56.023 54.241 1.782 1
1 550 . 5 1 1 A 52 52 GLN CB C 52 31.494 30.356 1.138 1
1 552 . 5 1 1 A 52 52 GLN N N 52 119.769 117.954 1.815 1
1 554 . 5 1 1 A 53 53 LYS H H 53 8.586 8.849 -0.263 1
1 555 . 5 1 1 A 53 53 LYS HA H 53 4.500 4.739 -0.239 1
1 564 . 5 1 1 A 53 53 LYS C C 53 174.080 175.531 -1.451 1
1 565 . 5 1 1 A 53 53 LYS CA C 53 55.950 55.025 0.925 1
1 566 . 5 1 1 A 53 53 LYS CB C 53 34.690 32.710 1.980 1
1 570 . 5 1 1 A 53 53 LYS N N 53 123.759 124.784 -1.025 1
1 571 . 5 1 1 A 54 54 LEU H H 54 8.900 8.604 0.296 1
1 572 . 5 1 1 A 54 54 LEU HA H 54 5.271 4.465 0.806 1
1 582 . 5 1 1 A 54 54 LEU C C 54 174.940 176.061 -1.121 1
1 583 . 5 1 1 A 54 54 LEU CA C 54 53.250 54.669 -1.419 1
1 584 . 5 1 1 A 54 54 LEU CB C 54 45.042 40.953 4.089 1
1 588 . 5 1 1 A 54 54 LEU N N 54 126.200 125.547 0.653 1
1 589 . 5 1 1 A 55 55 ILE H H 55 9.330 8.879 0.451 1
1 590 . 5 1 1 A 55 55 ILE HA H 55 4.886 4.841 0.045 1
1 600 . 5 1 1 A 55 55 ILE C C 55 175.623 174.036 1.587 1
1 601 . 5 1 1 A 55 55 ILE CA C 55 59.402 60.433 -1.031 1
1 602 . 5 1 1 A 55 55 ILE CB C 55 40.270 39.800 0.470 1
1 606 . 5 1 1 A 55 55 ILE N N 55 123.589 125.696 -2.107 1
1 607 . 5 1 1 A 56 56 PHE H H 56 9.241 9.306 -0.065 1
1 608 . 5 1 1 A 56 56 PHE HA H 56 5.212 4.770 0.442 1
1 615 . 5 1 1 A 56 56 PHE C C 56 174.600 175.150 -0.550 1
1 616 . 5 1 1 A 56 56 PHE CA C 56 55.936 57.473 -1.537 1
1 617 . 5 1 1 A 56 56 PHE CB C 56 42.830 41.127 1.703 1
1 622 . 5 1 1 A 56 56 PHE N N 56 127.423 128.486 -1.063 1
1 625 . 5 1 1 A 57 57 LYS H H 57 9.307 9.346 -0.039 1
1 626 . 5 1 1 A 57 57 LYS HA H 57 3.630 3.729 -0.099 1
1 635 . 5 1 1 A 57 57 LYS C C 57 176.620 176.492 0.128 1
1 636 . 5 1 1 A 57 57 LYS CA C 57 57.495 57.036 0.459 1
1 637 . 5 1 1 A 57 57 LYS CB C 57 30.100 29.646 0.454 1
1 641 . 5 1 1 A 57 57 LYS N N 57 128.612 127.667 0.945 1
1 642 . 5 1 1 A 58 58 GLY H H 58 8.288 8.223 0.065 1
1 643 . 5 1 1 A 58 58 GLY HA2 H 58 3.487 3.999 -0.512 1
1 644 . 5 1 1 A 58 58 GLY HA3 H 58 4.098 4.008 0.090 1
1 645 . 5 1 1 A 58 58 GLY C C 58 173.568 174.316 -0.748 1
1 646 . 5 1 1 A 58 58 GLY CA C 58 45.475 45.041 0.434 1
1 647 . 5 1 1 A 58 58 GLY N N 58 102.757 105.641 -2.884 1
1 648 . 5 1 1 A 59 59 LYS H H 59 7.900 7.486 0.414 1
1 649 . 5 1 1 A 59 59 LYS HA H 59 4.667 4.423 0.244 1
1 658 . 5 1 1 A 59 59 LYS C C 59 174.830 175.370 -0.540 1
1 659 . 5 1 1 A 59 59 LYS CA C 59 55.222 56.009 -0.787 1
1 660 . 5 1 1 A 59 59 LYS CB C 59 35.010 33.435 1.575 1
1 664 . 5 1 1 A 59 59 LYS N N 59 121.753 119.399 2.354 1
1 665 . 5 1 1 A 60 60 VAL H H 60 8.587 8.456 0.131 1
1 666 . 5 1 1 A 60 60 VAL HA H 60 4.209 4.847 -0.638 1
1 674 . 5 1 1 A 60 60 VAL C C 60 177.380 174.925 2.455 1
1 675 . 5 1 1 A 60 60 VAL CA C 60 63.080 60.224 2.856 1
1 676 . 5 1 1 A 60 60 VAL CB C 60 32.101 33.926 -1.825 1
1 679 . 5 1 1 A 60 60 VAL N N 60 123.795 123.103 0.692 1
1 680 . 5 1 1 A 61 61 LEU H H 61 8.876 9.123 -0.247 1
1 681 . 5 1 1 A 61 61 LEU HA H 61 4.430 4.526 -0.096 1
1 691 . 5 1 1 A 61 61 LEU C C 61 176.660 176.512 0.148 1
1 692 . 5 1 1 A 61 61 LEU CA C 61 54.760 54.300 0.460 1
1 693 . 5 1 1 A 61 61 LEU CB C 61 43.060 40.974 2.086 1
1 697 . 5 1 1 A 61 61 LEU N N 61 129.083 128.270 0.813 1
1 698 . 5 1 1 A 62 62 VAL H H 62 8.759 8.538 0.221 1
1 699 . 5 1 1 A 62 62 VAL HA H 62 3.989 4.001 -0.012 1
1 707 . 5 1 1 A 62 62 VAL C C 62 178.390 176.503 1.887 1
1 708 . 5 1 1 A 62 62 VAL CA C 62 63.077 63.712 -0.635 1
1 709 . 5 1 1 A 62 62 VAL CB C 62 32.440 32.175 0.265 1
1 712 . 5 1 1 A 62 62 VAL N N 62 124.193 126.224 -2.031 1
1 713 . 5 1 1 A 63 63 GLU H H 63 8.806 8.897 -0.091 1
1 714 . 5 1 1 A 63 63 GLU HA H 63 3.757 4.112 -0.355 1
1 719 . 5 1 1 A 63 63 GLU C C 63 176.500 177.729 -1.229 1
1 720 . 5 1 1 A 63 63 GLU CA C 63 60.509 59.593 0.916 1
1 721 . 5 1 1 A 63 63 GLU CB C 63 30.580 29.225 1.355 1
1 723 . 5 1 1 A 63 63 GLU N N 63 125.296 125.483 -0.187 1
1 724 . 5 1 1 A 64 64 THR H H 64 7.100 7.571 -0.471 1
1 725 . 5 1 1 A 64 64 THR HA H 64 4.279 4.300 -0.021 1
1 730 . 5 1 1 A 64 64 THR C C 64 175.290 174.751 0.539 1
1 731 . 5 1 1 A 64 64 THR CA C 64 61.466 62.305 -0.839 1
1 732 . 5 1 1 A 64 64 THR CB C 64 68.840 69.427 -0.587 1
1 734 . 5 1 1 A 64 64 THR N N 64 102.822 109.353 -6.531 1
1 735 . 5 1 1 A 65 65 SER H H 65 7.749 7.877 -0.128 1
1 736 . 5 1 1 A 65 65 SER HA H 65 4.676 4.484 0.192 1
1 739 . 5 1 1 A 65 65 SER C C 65 174.300 174.301 -0.001 1
1 740 . 5 1 1 A 65 65 SER CA C 65 58.060 57.746 0.314 1
1 741 . 5 1 1 A 65 65 SER CB C 65 64.950 64.637 0.313 1
1 742 . 5 1 1 A 65 65 SER N N 65 117.966 118.748 -0.782 1
1 743 . 5 1 1 A 66 66 THR H H 66 8.512 8.725 -0.213 1
1 744 . 5 1 1 A 66 66 THR HA H 66 5.032 4.884 0.148 1
1 750 . 5 1 1 A 66 66 THR C C 66 177.300 176.200 1.100 1
1 751 . 5 1 1 A 66 66 THR CA C 66 60.200 60.163 0.037 1
1 752 . 5 1 1 A 66 66 THR CB C 66 71.550 71.977 -0.427 1
1 754 . 5 1 1 A 66 66 THR N N 66 111.490 114.869 -3.379 1
1 755 . 5 1 1 A 67 67 LEU H H 67 8.451 8.928 -0.477 1
1 756 . 5 1 1 A 67 67 LEU HA H 67 3.753 3.895 -0.142 1
1 766 . 5 1 1 A 67 67 LEU C C 67 179.170 179.069 0.101 1
1 767 . 5 1 1 A 67 67 LEU CA C 67 59.234 58.172 1.062 1
1 768 . 5 1 1 A 67 67 LEU CB C 67 38.897 41.483 -2.586 1
1 772 . 5 1 1 A 67 67 LEU N N 67 122.302 122.516 -0.214 1
1 773 . 5 1 1 A 68 68 LYS H H 68 8.313 8.198 0.115 1
1 774 . 5 1 1 A 68 68 LYS HA H 68 4.090 4.057 0.033 1
1 783 . 5 1 1 A 68 68 LYS C C 68 180.950 178.086 2.864 1
1 784 . 5 1 1 A 68 68 LYS CA C 68 59.620 58.618 1.002 1
1 785 . 5 1 1 A 68 68 LYS CB C 68 32.490 31.953 0.537 1
1 789 . 5 1 1 A 68 68 LYS N N 68 120.066 119.926 0.140 1
1 790 . 5 1 1 A 69 69 GLN H H 69 8.019 7.965 0.054 1
1 791 . 5 1 1 A 69 69 GLN HA H 69 4.086 4.218 -0.132 1
1 798 . 5 1 1 A 69 69 GLN C C 69 177.840 175.856 1.984 1
1 799 . 5 1 1 A 69 69 GLN CA C 69 58.260 57.218 1.042 1
1 800 . 5 1 1 A 69 69 GLN CB C 69 28.580 28.584 -0.004 1
1 802 . 5 1 1 A 69 69 GLN N N 69 119.594 117.122 2.472 1
1 804 . 5 1 1 A 70 70 SER H H 70 7.544 7.775 -0.231 1
1 805 . 5 1 1 A 70 70 SER HA H 70 4.517 4.791 -0.274 1
1 808 . 5 1 1 A 70 70 SER C C 70 171.870 173.851 -1.981 1
1 809 . 5 1 1 A 70 70 SER CA C 70 58.920 57.020 1.900 1
1 810 . 5 1 1 A 70 70 SER CB C 70 64.446 63.972 0.474 1
1 811 . 5 1 1 A 70 70 SER N N 70 114.028 116.040 -2.012 1
1 812 . 5 1 1 A 71 71 ASP H H 71 7.882 8.181 -0.299 1
1 813 . 5 1 1 A 71 71 ASP HA H 71 4.278 4.338 -0.060 1
1 816 . 5 1 1 A 71 71 ASP C C 71 174.050 175.382 -1.332 1
1 817 . 5 1 1 A 71 71 ASP CA C 71 55.660 55.715 -0.055 1
1 818 . 5 1 1 A 71 71 ASP CB C 71 39.540 39.654 -0.114 1
1 819 . 5 1 1 A 71 71 ASP N N 71 116.055 116.932 -0.877 1
1 820 . 5 1 1 A 72 72 VAL H H 72 7.723 7.413 0.310 1
1 821 . 5 1 1 A 72 72 VAL HA H 72 3.285 3.654 -0.369 1
1 829 . 5 1 1 A 72 72 VAL C C 72 173.980 175.764 -1.784 1
1 830 . 5 1 1 A 72 72 VAL CA C 72 62.744 61.469 1.275 1
1 831 . 5 1 1 A 72 72 VAL CB C 72 30.727 31.706 -0.979 1
1 834 . 5 1 1 A 72 72 VAL N N 72 119.423 119.674 -0.251 1
1 835 . 5 1 1 A 73 73 GLY H H 73 7.722 8.490 -0.768 1
1 836 . 5 1 1 A 73 73 GLY HA2 H 73 3.590 4.213 -0.623 1
1 837 . 5 1 1 A 73 73 GLY HA3 H 73 4.416 4.237 0.179 1
1 838 . 5 1 1 A 73 73 GLY C C 73 172.450 172.119 0.331 1
1 839 . 5 1 1 A 73 73 GLY CA C 73 42.820 45.307 -2.487 1
1 840 . 5 1 1 A 73 73 GLY N N 73 114.445 114.541 -0.096 1
1 841 . 5 1 1 A 74 74 SER H H 74 8.552 8.531 0.021 1
1 842 . 5 1 1 A 74 74 SER HA H 74 4.365 4.228 0.137 1
1 845 . 5 1 1 A 74 74 SER C C 74 177.240 175.394 1.846 1
1 846 . 5 1 1 A 74 74 SER CA C 74 60.420 60.037 0.383 1
1 847 . 5 1 1 A 74 74 SER CB C 74 63.350 62.722 0.628 1
1 848 . 5 1 1 A 74 74 SER N N 74 111.883 115.527 -3.644 1
1 849 . 5 1 1 A 75 75 GLY H H 75 9.718 9.104 0.614 1
1 850 . 5 1 1 A 75 75 GLY HA2 H 75 3.693 3.965 -0.272 1
1 851 . 5 1 1 A 75 75 GLY HA3 H 75 4.328 3.971 0.357 1
1 852 . 5 1 1 A 75 75 GLY C C 75 174.500 174.831 -0.331 1
1 853 . 5 1 1 A 75 75 GLY CA C 75 44.990 45.552 -0.562 1
1 854 . 5 1 1 A 75 75 GLY N N 75 115.986 114.958 1.028 1
1 855 . 5 1 1 A 76 76 ALA H H 76 7.939 7.827 0.112 1
1 856 . 5 1 1 A 76 76 ALA HA H 76 4.363 4.371 -0.008 1
1 860 . 5 1 1 A 76 76 ALA C C 76 176.170 176.828 -0.658 1
1 861 . 5 1 1 A 76 76 ALA CA C 76 53.372 51.923 1.449 1
1 862 . 5 1 1 A 76 76 ALA CB C 76 21.400 18.823 2.577 1
1 863 . 5 1 1 A 76 76 ALA N N 76 123.830 123.576 0.254 1
1 864 . 5 1 1 A 77 77 LYS H H 77 8.435 9.156 -0.721 1
1 865 . 5 1 1 A 77 77 LYS HA H 77 5.195 4.634 0.561 1
1 874 . 5 1 1 A 77 77 LYS C C 77 175.450 175.466 -0.016 1
1 875 . 5 1 1 A 77 77 LYS CA C 77 54.930 55.767 -0.837 1
1 876 . 5 1 1 A 77 77 LYS CB C 77 33.520 32.441 1.079 1
1 880 . 5 1 1 A 77 77 LYS N N 77 120.636 124.074 -3.438 1
1 881 . 5 1 1 A 78 78 LEU H H 78 9.016 9.089 -0.073 1
1 882 . 5 1 1 A 78 78 LEU HA H 78 5.225 4.757 0.468 1
1 892 . 5 1 1 A 78 78 LEU C C 78 175.970 175.489 0.481 1
1 893 . 5 1 1 A 78 78 LEU CA C 78 53.700 54.462 -0.762 1
1 894 . 5 1 1 A 78 78 LEU CB C 78 45.250 42.042 3.208 1
1 898 . 5 1 1 A 78 78 LEU N N 78 123.751 126.663 -2.912 1
1 899 . 5 1 1 A 79 79 MET H H 79 8.983 9.040 -0.057 1
1 900 . 5 1 1 A 79 79 MET HA H 79 5.163 4.816 0.347 1
1 905 . 5 1 1 A 79 79 MET C C 79 173.970 175.095 -1.125 1
1 906 . 5 1 1 A 79 79 MET CA C 79 55.508 54.014 1.494 1
1 907 . 5 1 1 A 79 79 MET CB C 79 35.180 33.043 2.137 1
1 909 . 5 1 1 A 79 79 MET N N 79 120.990 125.394 -4.404 1
1 910 . 5 1 1 A 80 80 LEU H H 80 8.905 8.742 0.163 1
1 911 . 5 1 1 A 80 80 LEU HA H 80 5.235 4.873 0.362 1
1 921 . 5 1 1 A 80 80 LEU C C 80 174.730 175.487 -0.757 1
1 922 . 5 1 1 A 80 80 LEU CA C 80 54.071 53.937 0.134 1
1 923 . 5 1 1 A 80 80 LEU CB C 80 43.540 43.146 0.394 1
1 927 . 5 1 1 A 81 81 MET H H 81 9.229 8.989 0.240 1
1 928 . 5 1 1 A 81 81 MET HA H 81 4.960 4.723 0.237 1
1 936 . 5 1 1 A 81 81 MET C C 81 174.450 175.144 -0.694 1
1 937 . 5 1 1 A 81 81 MET CA C 81 53.830 54.576 -0.746 1
1 938 . 5 1 1 A 81 81 MET CB C 81 34.810 32.033 2.777 1
1 941 . 5 1 1 A 81 81 MET N N 81 125.712 127.826 -2.114 1
1 942 . 5 1 1 A 82 82 ALA H H 82 8.891 8.401 0.490 1
1 943 . 5 1 1 A 82 82 ALA HA H 82 5.043 5.034 0.009 1
1 947 . 5 1 1 A 82 82 ALA C C 82 177.470 177.345 0.125 1
1 948 . 5 1 1 A 82 82 ALA CA C 82 51.010 50.483 0.527 1
1 949 . 5 1 1 A 82 82 ALA CB C 82 21.124 21.974 -0.850 1
1 950 . 5 1 1 A 82 82 ALA N N 82 126.315 129.607 -3.292 1
1 951 . 5 1 1 A 83 83 SER H H 83 8.719 9.078 -0.359 1
1 952 . 5 1 1 A 83 83 SER HA H 83 4.497 4.609 -0.112 1
1 955 . 5 1 1 A 83 83 SER C C 83 174.360 173.770 0.590 1
1 956 . 5 1 1 A 83 83 SER CA C 83 58.534 58.322 0.212 1
1 957 . 5 1 1 A 83 83 SER CB C 83 64.140 63.900 0.240 1
1 958 . 5 1 1 A 83 83 SER N N 83 117.987 114.628 3.359 1
1 959 . 5 1 1 A 84 84 GLN H H 84 8.629 7.800 0.829 1
1 960 . 5 1 1 A 84 84 GLN HA H 84 4.449 4.848 -0.399 1
1 967 . 5 1 1 A 84 84 GLN C C 84 175.370 175.556 -0.186 1
1 968 . 5 1 1 A 84 84 GLN CA C 84 55.890 54.342 1.548 1
1 969 . 5 1 1 A 84 84 GLN CB C 84 29.860 33.251 -3.391 1
1 971 . 5 1 1 A 84 84 GLN N N 84 122.746 119.626 3.120 1
1 1 . 6 1 1 A 10 10 HIS HA H 10 4.506 4.792 -0.286 1
1 4 . 6 1 1 A 10 10 HIS C C 10 176.040 175.393 0.647 1
1 5 . 6 1 1 A 10 10 HIS CA C 10 55.850 55.192 0.658 1
1 6 . 6 1 1 A 10 10 HIS CB C 10 33.250 29.922 3.328 1
1 7 . 6 1 1 A 11 11 SER H H 11 8.462 7.717 0.745 1
1 8 . 6 1 1 A 11 11 SER HA H 11 4.516 4.476 0.040 1
1 10 . 6 1 1 A 11 11 SER C C 11 174.050 173.422 0.628 1
1 11 . 6 1 1 A 11 11 SER CA C 11 59.054 57.981 1.073 1
1 12 . 6 1 1 A 11 11 SER CB C 11 63.850 61.379 2.471 1
1 13 . 6 1 1 A 11 11 SER N N 11 117.900 117.406 0.494 1
1 14 . 6 1 1 A 12 12 THR H H 12 7.923 8.144 -0.221 1
1 15 . 6 1 1 A 12 12 THR HA H 12 4.581 4.955 -0.374 1
1 20 . 6 1 1 A 12 12 THR C C 12 174.140 174.059 0.081 1
1 21 . 6 1 1 A 12 12 THR CA C 12 61.245 60.961 0.284 1
1 22 . 6 1 1 A 12 12 THR CB C 12 71.940 69.876 2.064 1
1 24 . 6 1 1 A 12 12 THR N N 12 112.783 114.852 -2.069 1
1 25 . 6 1 1 A 13 13 ILE H H 13 9.201 8.487 0.714 1
1 26 . 6 1 1 A 13 13 ILE HA H 13 4.532 4.372 0.160 1
1 36 . 6 1 1 A 13 13 ILE C C 13 173.930 175.702 -1.772 1
1 37 . 6 1 1 A 13 13 ILE CA C 13 59.720 60.566 -0.846 1
1 38 . 6 1 1 A 13 13 ILE CB C 13 41.597 38.742 2.855 1
1 42 . 6 1 1 A 13 13 ILE N N 13 117.602 122.755 -5.153 1
1 43 . 6 1 1 A 14 14 LYS H H 14 8.077 8.511 -0.434 1
1 44 . 6 1 1 A 14 14 LYS HA H 14 5.110 4.823 0.287 1
1 53 . 6 1 1 A 14 14 LYS C C 14 175.360 176.144 -0.784 1
1 54 . 6 1 1 A 14 14 LYS CA C 14 55.200 56.278 -1.078 1
1 55 . 6 1 1 A 14 14 LYS CB C 14 33.130 32.970 0.160 1
1 59 . 6 1 1 A 14 14 LYS N N 14 122.699 124.607 -1.908 1
1 60 . 6 1 1 A 15 15 LEU H H 15 8.953 9.014 -0.061 1
1 61 . 6 1 1 A 15 15 LEU HA H 15 5.025 5.473 -0.448 1
1 71 . 6 1 1 A 15 15 LEU C C 15 176.400 174.304 2.096 1
1 72 . 6 1 1 A 15 15 LEU CA C 15 53.620 52.994 0.626 1
1 73 . 6 1 1 A 15 15 LEU CB C 15 45.380 45.519 -0.139 1
1 77 . 6 1 1 A 15 15 LEU N N 15 121.650 121.437 0.213 1
1 78 . 6 1 1 A 16 16 THR H H 16 8.412 9.042 -0.630 1
1 79 . 6 1 1 A 16 16 THR HA H 16 5.075 5.147 -0.072 1
1 84 . 6 1 1 A 16 16 THR C C 16 173.070 173.405 -0.335 1
1 85 . 6 1 1 A 16 16 THR CA C 16 61.380 62.038 -0.658 1
1 86 . 6 1 1 A 16 16 THR CB C 16 71.700 69.663 2.037 1
1 88 . 6 1 1 A 16 16 THR N N 16 114.701 118.888 -4.187 1
1 89 . 6 1 1 A 17 17 VAL H H 17 9.083 8.933 0.150 1
1 90 . 6 1 1 A 17 17 VAL HA H 17 4.600 4.654 -0.054 1
1 98 . 6 1 1 A 17 17 VAL C C 17 174.570 174.081 0.489 1
1 99 . 6 1 1 A 17 17 VAL CA C 17 61.005 60.501 0.504 1
1 100 . 6 1 1 A 17 17 VAL CB C 17 33.600 33.439 0.161 1
1 103 . 6 1 1 A 17 17 VAL N N 17 125.565 127.767 -2.202 1
1 104 . 6 1 1 A 18 18 LYS H H 18 9.183 8.976 0.207 1
1 105 . 6 1 1 A 18 18 LYS HA H 18 5.156 4.830 0.326 1
1 114 . 6 1 1 A 18 18 LYS C C 18 175.150 175.471 -0.321 1
1 115 . 6 1 1 A 18 18 LYS CA C 18 54.630 55.318 -0.688 1
1 116 . 6 1 1 A 18 18 LYS CB C 18 33.217 32.360 0.857 1
1 120 . 6 1 1 A 18 18 LYS N N 18 129.200 128.182 1.018 1
1 121 . 6 1 1 A 19 19 PHE H H 19 8.927 9.132 -0.205 1
1 122 . 6 1 1 A 19 19 PHE HA H 19 5.377 4.742 0.635 1
1 129 . 6 1 1 A 19 19 PHE C C 19 175.850 176.466 -0.616 1
1 130 . 6 1 1 A 19 19 PHE CA C 19 55.330 56.554 -1.224 1
1 131 . 6 1 1 A 19 19 PHE CB C 19 41.690 37.053 4.637 1
1 136 . 6 1 1 A 19 19 PHE N N 19 126.659 125.454 1.205 1
1 139 . 6 1 1 A 20 20 GLY H H 20 9.275 8.367 0.908 1
1 140 . 6 1 1 A 20 20 GLY HA2 H 20 3.580 3.889 -0.309 1
1 141 . 6 1 1 A 20 20 GLY HA3 H 20 3.578 3.916 -0.338 1
1 142 . 6 1 1 A 20 20 GLY C C 20 175.090 174.889 0.201 1
1 143 . 6 1 1 A 20 20 GLY CA C 20 47.070 46.472 0.598 1
1 144 . 6 1 1 A 20 20 GLY N N 20 119.629 112.303 7.326 1
1 145 . 6 1 1 A 21 21 GLY H H 21 8.819 8.573 0.246 1
1 146 . 6 1 1 A 21 21 GLY HA2 H 21 3.942 4.059 -0.117 1
1 147 . 6 1 1 A 21 21 GLY HA3 H 21 3.942 4.063 -0.121 1
1 148 . 6 1 1 A 21 21 GLY C C 21 173.890 174.866 -0.976 1
1 149 . 6 1 1 A 21 21 GLY CA C 21 45.290 45.287 0.003 1
1 150 . 6 1 1 A 21 21 GLY N N 21 111.500 107.207 4.293 1
1 151 . 6 1 1 A 22 22 LYS H H 22 7.975 7.958 0.017 1
1 152 . 6 1 1 A 22 22 LYS HA H 22 4.616 4.323 0.293 1
1 161 . 6 1 1 A 22 22 LYS C C 22 175.450 175.816 -0.366 1
1 162 . 6 1 1 A 22 22 LYS CA C 22 55.514 55.498 0.016 1
1 163 . 6 1 1 A 22 22 LYS CB C 22 34.790 31.339 3.451 1
1 167 . 6 1 1 A 22 22 LYS N N 22 121.832 121.735 0.097 1
1 168 . 6 1 1 A 23 23 SER H H 23 8.722 8.391 0.331 1
1 169 . 6 1 1 A 23 23 SER HA H 23 4.841 4.736 0.105 1
1 172 . 6 1 1 A 23 23 SER C C 23 173.910 173.911 -0.001 1
1 173 . 6 1 1 A 23 23 SER CA C 23 58.344 59.029 -0.685 1
1 174 . 6 1 1 A 23 23 SER CB C 23 64.237 63.065 1.172 1
1 175 . 6 1 1 A 23 23 SER N N 23 119.004 122.632 -3.628 1
1 176 . 6 1 1 A 24 24 ILE H H 24 9.444 9.091 0.353 1
1 177 . 6 1 1 A 24 24 ILE HA H 24 4.502 4.665 -0.163 1
1 187 . 6 1 1 A 24 24 ILE C C 24 173.590 175.189 -1.599 1
1 188 . 6 1 1 A 24 24 ILE CA C 24 59.145 58.012 1.133 1
1 189 . 6 1 1 A 24 24 ILE CB C 24 40.620 38.695 1.925 1
1 193 . 6 1 1 A 24 24 ILE N N 24 129.205 127.414 1.791 1
1 194 . 6 1 1 A 25 25 PRO HA H 25 5.179 4.828 0.351 1
1 201 . 6 1 1 A 25 25 PRO C C 25 176.750 176.156 0.594 1
1 202 . 6 1 1 A 25 25 PRO CA C 25 61.740 62.355 -0.615 1
1 203 . 6 1 1 A 25 25 PRO CB C 25 32.010 31.497 0.513 1
1 206 . 6 1 1 A 26 26 LEU H H 26 8.720 8.963 -0.243 1
1 207 . 6 1 1 A 26 26 LEU HA H 26 4.731 4.981 -0.250 1
1 217 . 6 1 1 A 26 26 LEU C C 26 175.450 176.292 -0.842 1
1 218 . 6 1 1 A 26 26 LEU CA C 26 54.731 53.294 1.437 1
1 219 . 6 1 1 A 26 26 LEU CB C 26 47.766 44.651 3.115 1
1 223 . 6 1 1 A 26 26 LEU N N 26 122.986 125.255 -2.269 1
1 224 . 6 1 1 A 27 27 SER H H 27 8.404 8.953 -0.549 1
1 225 . 6 1 1 A 27 27 SER HA H 27 5.504 5.563 -0.059 1
1 228 . 6 1 1 A 27 27 SER C C 27 174.498 173.368 1.130 1
1 229 . 6 1 1 A 27 27 SER CA C 27 57.000 57.837 -0.837 1
1 230 . 6 1 1 A 27 27 SER CB C 27 63.850 65.076 -1.226 1
1 231 . 6 1 1 A 27 27 SER N N 27 118.151 117.046 1.105 1
1 232 . 6 1 1 A 28 28 VAL H H 28 8.743 8.770 -0.027 1
1 233 . 6 1 1 A 28 28 VAL HA H 28 4.792 4.937 -0.145 1
1 241 . 6 1 1 A 28 28 VAL C C 28 174.250 174.484 -0.234 1
1 242 . 6 1 1 A 28 28 VAL CA C 28 58.792 59.534 -0.742 1
1 243 . 6 1 1 A 28 28 VAL CB C 28 36.600 34.667 1.933 1
1 246 . 6 1 1 A 28 28 VAL N N 28 118.097 120.181 -2.084 1
1 247 . 6 1 1 A 29 29 SER H H 29 8.694 8.427 0.267 1
1 248 . 6 1 1 A 29 29 SER HA H 29 4.960 4.769 0.191 1
1 251 . 6 1 1 A 29 29 SER C C 29 175.159 174.186 0.973 1
1 252 . 6 1 1 A 29 29 SER CA C 29 55.925 55.333 0.592 1
1 253 . 6 1 1 A 29 29 SER CB C 29 64.080 63.786 0.294 1
1 254 . 6 1 1 A 29 29 SER N N 29 116.965 118.650 -1.685 1
1 255 . 6 1 1 A 30 30 PRO HA H 30 4.277 4.473 -0.196 1
1 262 . 6 1 1 A 30 30 PRO C C 30 175.705 177.261 -1.556 1
1 263 . 6 1 1 A 30 30 PRO CA C 30 64.825 64.506 0.319 1
1 264 . 6 1 1 A 30 30 PRO CB C 30 32.074 31.715 0.359 1
1 267 . 6 1 1 A 31 31 ASP H H 31 7.818 8.244 -0.426 1
1 268 . 6 1 1 A 31 31 ASP HA H 31 4.725 4.392 0.333 1
1 271 . 6 1 1 A 31 31 ASP C C 31 175.040 176.760 -1.720 1
1 272 . 6 1 1 A 31 31 ASP CA C 31 54.160 55.882 -1.722 1
1 273 . 6 1 1 A 31 31 ASP CB C 31 41.590 41.061 0.529 1
1 274 . 6 1 1 A 31 31 ASP N N 31 114.503 118.278 -3.775 1
1 275 . 6 1 1 A 32 32 CYS H H 32 7.657 7.565 0.092 1
1 276 . 6 1 1 A 32 32 CYS HA H 32 4.483 4.664 -0.181 1
1 279 . 6 1 1 A 32 32 CYS C C 32 174.805 174.968 -0.163 1
1 280 . 6 1 1 A 32 32 CYS CA C 32 59.510 59.087 0.423 1
1 281 . 6 1 1 A 32 32 CYS CB C 32 28.010 28.929 -0.919 1
1 282 . 6 1 1 A 32 32 CYS N N 32 119.852 118.499 1.353 1
1 283 . 6 1 1 A 33 33 THR H H 33 8.992 8.734 0.258 1
1 284 . 6 1 1 A 33 33 THR HA H 33 4.861 4.760 0.101 1
1 289 . 6 1 1 A 33 33 THR C C 33 176.350 176.325 0.025 1
1 290 . 6 1 1 A 33 33 THR CA C 33 61.165 60.416 0.749 1
1 291 . 6 1 1 A 33 33 THR CB C 33 71.968 71.378 0.590 1
1 293 . 6 1 1 A 33 33 THR N N 33 115.278 113.826 1.452 1
1 294 . 6 1 1 A 34 34 VAL H H 34 8.558 8.719 -0.161 1
1 295 . 6 1 1 A 34 34 VAL HA H 34 3.384 3.860 -0.476 1
1 303 . 6 1 1 A 34 34 VAL C C 34 177.880 177.584 0.296 1
1 304 . 6 1 1 A 34 34 VAL CA C 34 67.050 65.400 1.650 1
1 305 . 6 1 1 A 34 34 VAL CB C 34 31.303 31.491 -0.188 1
1 308 . 6 1 1 A 34 34 VAL N N 34 123.274 119.362 3.912 1
1 309 . 6 1 1 A 35 35 LYS H H 35 8.316 8.053 0.263 1
1 310 . 6 1 1 A 35 35 LYS HA H 35 3.758 3.949 -0.191 1
1 319 . 6 1 1 A 35 35 LYS C C 35 178.180 178.214 -0.034 1
1 320 . 6 1 1 A 35 35 LYS CA C 35 60.812 59.408 1.404 1
1 321 . 6 1 1 A 35 35 LYS CB C 35 32.610 32.073 0.537 1
1 325 . 6 1 1 A 35 35 LYS N N 35 119.813 120.958 -1.145 1
1 326 . 6 1 1 A 36 36 ASP H H 36 7.959 8.312 -0.353 1
1 327 . 6 1 1 A 36 36 ASP HA H 36 4.414 4.394 0.020 1
1 330 . 6 1 1 A 36 36 ASP C C 36 179.395 178.658 0.737 1
1 331 . 6 1 1 A 36 36 ASP CA C 36 57.360 56.956 0.404 1
1 332 . 6 1 1 A 36 36 ASP CB C 36 40.350 41.412 -1.062 1
1 333 . 6 1 1 A 36 36 ASP N N 36 120.728 119.997 0.731 1
1 334 . 6 1 1 A 37 37 LEU H H 37 8.147 8.332 -0.185 1
1 335 . 6 1 1 A 37 37 LEU HA H 37 3.976 3.914 0.062 1
1 345 . 6 1 1 A 37 37 LEU C C 37 178.630 179.573 -0.943 1
1 346 . 6 1 1 A 37 37 LEU CA C 37 58.210 58.071 0.139 1
1 347 . 6 1 1 A 37 37 LEU CB C 37 41.470 41.431 0.039 1
1 351 . 6 1 1 A 37 37 LEU N N 37 123.841 119.673 4.168 1
1 352 . 6 1 1 A 38 38 LYS H H 38 8.308 7.766 0.542 1
1 353 . 6 1 1 A 38 38 LYS HA H 38 4.505 4.393 0.112 1
1 362 . 6 1 1 A 38 38 LYS C C 38 180.780 179.905 0.875 1
1 363 . 6 1 1 A 38 38 LYS CA C 38 59.910 59.039 0.871 1
1 364 . 6 1 1 A 38 38 LYS CB C 38 34.270 31.968 2.302 1
1 368 . 6 1 1 A 38 38 LYS N N 38 117.736 118.255 -0.519 1
1 369 . 6 1 1 A 39 39 SER H H 39 7.952 7.539 0.413 1
1 370 . 6 1 1 A 39 39 SER HA H 39 4.230 4.200 0.030 1
1 373 . 6 1 1 A 39 39 SER C C 39 177.240 176.140 1.100 1
1 374 . 6 1 1 A 39 39 SER CA C 39 62.440 61.020 1.420 1
1 375 . 6 1 1 A 39 39 SER CB C 39 62.670 63.316 -0.646 1
1 376 . 6 1 1 A 39 39 SER N N 39 115.100 114.961 0.139 1
1 377 . 6 1 1 A 40 40 GLN H H 40 7.899 7.318 0.581 1
1 378 . 6 1 1 A 40 40 GLN HA H 40 4.125 4.289 -0.164 1
1 385 . 6 1 1 A 40 40 GLN C C 40 178.330 178.763 -0.433 1
1 386 . 6 1 1 A 40 40 GLN CA C 40 59.045 58.051 0.994 1
1 387 . 6 1 1 A 40 40 GLN CB C 40 28.893 29.149 -0.256 1
1 389 . 6 1 1 A 40 40 GLN N N 40 121.600 120.192 1.408 1
1 391 . 6 1 1 A 41 41 LEU H H 41 8.010 8.702 -0.692 1
1 392 . 6 1 1 A 41 41 LEU HA H 41 4.130 4.069 0.061 1
1 402 . 6 1 1 A 41 41 LEU C C 41 179.980 178.959 1.021 1
1 403 . 6 1 1 A 41 41 LEU CA C 41 56.472 57.833 -1.361 1
1 404 . 6 1 1 A 41 41 LEU CB C 41 42.660 41.582 1.078 1
1 408 . 6 1 1 A 41 41 LEU N N 41 116.657 119.852 -3.195 1
1 409 . 6 1 1 A 42 42 GLN H H 42 7.903 8.377 -0.474 1
1 410 . 6 1 1 A 42 42 GLN HA H 42 4.180 4.178 0.002 1
1 417 . 6 1 1 A 42 42 GLN C C 42 174.350 174.597 -0.247 1
1 418 . 6 1 1 A 42 42 GLN CA C 42 61.300 60.978 0.322 1
1 419 . 6 1 1 A 42 42 GLN CB C 42 25.250 26.340 -1.090 1
1 421 . 6 1 1 A 42 42 GLN N N 42 125.104 119.992 5.112 1
1 423 . 6 1 1 A 43 43 PRO HA H 43 4.410 4.414 -0.004 1
1 430 . 6 1 1 A 43 43 PRO C C 43 177.270 178.024 -0.754 1
1 431 . 6 1 1 A 43 43 PRO CA C 43 65.130 64.950 0.180 1
1 432 . 6 1 1 A 43 43 PRO CB C 43 31.208 31.404 -0.196 1
1 435 . 6 1 1 A 44 44 ILE H H 44 6.568 7.597 -1.029 1
1 436 . 6 1 1 A 44 44 ILE HA H 44 3.959 4.015 -0.056 1
1 446 . 6 1 1 A 44 44 ILE C C 44 177.060 177.634 -0.574 1
1 447 . 6 1 1 A 44 44 ILE CA C 44 63.670 63.020 0.650 1
1 448 . 6 1 1 A 44 44 ILE CB C 44 40.270 38.966 1.304 1
1 452 . 6 1 1 A 44 44 ILE N N 44 114.765 116.681 -1.916 1
1 453 . 6 1 1 A 45 45 THR H H 45 7.826 8.032 -0.206 1
1 454 . 6 1 1 A 45 45 THR HA H 45 4.202 4.298 -0.096 1
1 459 . 6 1 1 A 45 45 THR C C 45 174.990 175.266 -0.276 1
1 460 . 6 1 1 A 45 45 THR CA C 45 62.696 61.270 1.426 1
1 461 . 6 1 1 A 45 45 THR CB C 45 71.682 69.779 1.903 1
1 463 . 6 1 1 A 45 45 THR N N 45 107.323 109.069 -1.746 1
1 464 . 6 1 1 A 46 46 ASN H H 46 8.660 8.188 0.472 1
1 465 . 6 1 1 A 46 46 ASN HA H 46 4.381 4.575 -0.194 1
1 470 . 6 1 1 A 46 46 ASN C C 46 173.900 173.528 0.372 1
1 471 . 6 1 1 A 46 46 ASN CA C 46 54.890 54.488 0.402 1
1 472 . 6 1 1 A 46 46 ASN CB C 46 38.207 37.297 0.910 1
1 473 . 6 1 1 A 46 46 ASN N N 46 117.586 116.560 1.026 1
1 475 . 6 1 1 A 47 47 VAL H H 47 7.517 7.807 -0.290 1
1 476 . 6 1 1 A 47 47 VAL HA H 47 4.134 4.359 -0.225 1
1 484 . 6 1 1 A 47 47 VAL C C 47 176.140 175.677 0.463 1
1 485 . 6 1 1 A 47 47 VAL CA C 47 61.763 61.775 -0.012 1
1 486 . 6 1 1 A 47 47 VAL CB C 47 32.925 32.849 0.076 1
1 489 . 6 1 1 A 47 47 VAL N N 47 119.901 119.545 0.356 1
1 490 . 6 1 1 A 48 48 LEU H H 48 8.650 8.455 0.195 1
1 491 . 6 1 1 A 48 48 LEU HA H 48 4.194 4.344 -0.150 1
1 501 . 6 1 1 A 48 48 LEU C C 48 177.110 177.354 -0.244 1
1 502 . 6 1 1 A 48 48 LEU CA C 48 54.491 53.569 0.922 1
1 503 . 6 1 1 A 48 48 LEU CB C 48 41.171 41.894 -0.723 1
1 507 . 6 1 1 A 48 48 LEU N N 48 128.467 127.732 0.735 1
1 508 . 6 1 1 A 49 49 PRO HA H 49 3.923 4.249 -0.326 1
1 515 . 6 1 1 A 49 49 PRO C C 49 178.430 178.073 0.357 1
1 516 . 6 1 1 A 49 49 PRO CA C 49 67.000 65.638 1.362 1
1 517 . 6 1 1 A 49 49 PRO CB C 49 32.456 31.912 0.544 1
1 520 . 6 1 1 A 50 50 ARG H H 50 8.331 8.209 0.122 1
1 521 . 6 1 1 A 50 50 ARG HA H 50 4.239 4.036 0.203 1
1 528 . 6 1 1 A 50 50 ARG C C 50 176.940 178.662 -1.722 1
1 529 . 6 1 1 A 50 50 ARG CA C 50 58.130 59.439 -1.309 1
1 530 . 6 1 1 A 50 50 ARG CB C 50 29.200 29.751 -0.551 1
1 533 . 6 1 1 A 50 50 ARG N N 50 114.500 118.476 -3.976 1
1 534 . 6 1 1 A 51 51 GLY H H 51 8.199 7.961 0.238 1
1 535 . 6 1 1 A 51 51 GLY HA2 H 51 3.605 3.977 -0.372 1
1 536 . 6 1 1 A 51 51 GLY HA3 H 51 4.335 3.987 0.348 1
1 537 . 6 1 1 A 51 51 GLY C C 51 173.340 174.622 -1.282 1
1 538 . 6 1 1 A 51 51 GLY CA C 51 44.750 46.061 -1.311 1
1 539 . 6 1 1 A 51 51 GLY N N 51 107.942 107.141 0.801 1
1 540 . 6 1 1 A 52 52 GLN H H 52 7.475 7.518 -0.043 1
1 541 . 6 1 1 A 52 52 GLN HA H 52 4.315 4.443 -0.128 1
1 548 . 6 1 1 A 52 52 GLN C C 52 175.770 174.807 0.963 1
1 549 . 6 1 1 A 52 52 GLN CA C 52 56.023 55.003 1.020 1
1 550 . 6 1 1 A 52 52 GLN CB C 52 31.494 27.565 3.929 1
1 552 . 6 1 1 A 52 52 GLN N N 52 119.769 119.422 0.347 1
1 554 . 6 1 1 A 53 53 LYS H H 53 8.586 8.452 0.134 1
1 555 . 6 1 1 A 53 53 LYS HA H 53 4.500 4.590 -0.090 1
1 564 . 6 1 1 A 53 53 LYS C C 53 174.080 175.348 -1.268 1
1 565 . 6 1 1 A 53 53 LYS CA C 53 55.950 55.475 0.475 1
1 566 . 6 1 1 A 53 53 LYS CB C 53 34.690 31.789 2.901 1
1 570 . 6 1 1 A 53 53 LYS N N 53 123.759 124.768 -1.009 1
1 571 . 6 1 1 A 54 54 LEU H H 54 8.900 8.213 0.687 1
1 572 . 6 1 1 A 54 54 LEU HA H 54 5.271 4.539 0.732 1
1 582 . 6 1 1 A 54 54 LEU C C 54 174.940 175.913 -0.973 1
1 583 . 6 1 1 A 54 54 LEU CA C 54 53.250 54.569 -1.319 1
1 584 . 6 1 1 A 54 54 LEU CB C 54 45.042 41.279 3.763 1
1 588 . 6 1 1 A 54 54 LEU N N 54 126.200 126.141 0.059 1
1 589 . 6 1 1 A 55 55 ILE H H 55 9.330 8.748 0.582 1
1 590 . 6 1 1 A 55 55 ILE HA H 55 4.886 5.152 -0.266 1
1 600 . 6 1 1 A 55 55 ILE C C 55 175.623 174.681 0.942 1
1 601 . 6 1 1 A 55 55 ILE CA C 55 59.402 60.148 -0.746 1
1 602 . 6 1 1 A 55 55 ILE CB C 55 40.270 40.177 0.093 1
1 606 . 6 1 1 A 55 55 ILE N N 55 123.589 125.149 -1.560 1
1 607 . 6 1 1 A 56 56 PHE H H 56 9.241 9.279 -0.038 1
1 608 . 6 1 1 A 56 56 PHE HA H 56 5.212 4.929 0.283 1
1 615 . 6 1 1 A 56 56 PHE C C 56 174.600 174.820 -0.220 1
1 616 . 6 1 1 A 56 56 PHE CA C 56 55.936 57.295 -1.359 1
1 617 . 6 1 1 A 56 56 PHE CB C 56 42.830 42.370 0.460 1
1 622 . 6 1 1 A 56 56 PHE N N 56 127.423 127.389 0.034 1
1 625 . 6 1 1 A 57 57 LYS H H 57 9.307 9.064 0.243 1
1 626 . 6 1 1 A 57 57 LYS HA H 57 3.630 3.638 -0.008 1
1 635 . 6 1 1 A 57 57 LYS C C 57 176.620 176.437 0.183 1
1 636 . 6 1 1 A 57 57 LYS CA C 57 57.495 57.151 0.344 1
1 637 . 6 1 1 A 57 57 LYS CB C 57 30.100 30.164 -0.064 1
1 641 . 6 1 1 A 57 57 LYS N N 57 128.612 127.460 1.152 1
1 642 . 6 1 1 A 58 58 GLY H H 58 8.288 8.326 -0.038 1
1 643 . 6 1 1 A 58 58 GLY HA2 H 58 3.487 3.927 -0.440 1
1 644 . 6 1 1 A 58 58 GLY HA3 H 58 4.098 3.938 0.160 1
1 645 . 6 1 1 A 58 58 GLY C C 58 173.568 173.618 -0.050 1
1 646 . 6 1 1 A 58 58 GLY CA C 58 45.475 45.016 0.459 1
1 647 . 6 1 1 A 58 58 GLY N N 58 102.757 105.667 -2.910 1
1 648 . 6 1 1 A 59 59 LYS H H 59 7.900 7.719 0.181 1
1 649 . 6 1 1 A 59 59 LYS HA H 59 4.667 4.630 0.037 1
1 658 . 6 1 1 A 59 59 LYS C C 59 174.830 175.698 -0.868 1
1 659 . 6 1 1 A 59 59 LYS CA C 59 55.222 54.762 0.460 1
1 660 . 6 1 1 A 59 59 LYS CB C 59 35.010 34.441 0.569 1
1 664 . 6 1 1 A 59 59 LYS N N 59 121.753 121.832 -0.079 1
1 665 . 6 1 1 A 60 60 VAL H H 60 8.587 8.591 -0.004 1
1 666 . 6 1 1 A 60 60 VAL HA H 60 4.209 4.364 -0.155 1
1 674 . 6 1 1 A 60 60 VAL C C 60 177.380 176.177 1.203 1
1 675 . 6 1 1 A 60 60 VAL CA C 60 63.080 63.038 0.042 1
1 676 . 6 1 1 A 60 60 VAL CB C 60 32.101 31.777 0.324 1
1 679 . 6 1 1 A 60 60 VAL N N 60 123.795 125.672 -1.877 1
1 680 . 6 1 1 A 61 61 LEU H H 61 8.876 8.805 0.071 1
1 681 . 6 1 1 A 61 61 LEU HA H 61 4.430 4.236 0.194 1
1 691 . 6 1 1 A 61 61 LEU C C 61 176.660 177.020 -0.360 1
1 692 . 6 1 1 A 61 61 LEU CA C 61 54.760 55.143 -0.383 1
1 693 . 6 1 1 A 61 61 LEU CB C 61 43.060 41.708 1.352 1
1 697 . 6 1 1 A 61 61 LEU N N 61 129.083 129.255 -0.172 1
1 698 . 6 1 1 A 62 62 VAL H H 62 8.759 8.621 0.138 1
1 699 . 6 1 1 A 62 62 VAL HA H 62 3.989 3.950 0.039 1
1 707 . 6 1 1 A 62 62 VAL C C 62 178.390 176.050 2.340 1
1 708 . 6 1 1 A 62 62 VAL CA C 62 63.077 63.545 -0.468 1
1 709 . 6 1 1 A 62 62 VAL CB C 62 32.440 32.141 0.299 1
1 712 . 6 1 1 A 62 62 VAL N N 62 124.193 125.225 -1.032 1
1 713 . 6 1 1 A 63 63 GLU H H 63 8.806 9.035 -0.229 1
1 714 . 6 1 1 A 63 63 GLU HA H 63 3.757 4.234 -0.477 1
1 719 . 6 1 1 A 63 63 GLU C C 63 176.500 177.343 -0.843 1
1 720 . 6 1 1 A 63 63 GLU CA C 63 60.509 58.693 1.816 1
1 721 . 6 1 1 A 63 63 GLU CB C 63 30.580 29.316 1.264 1
1 723 . 6 1 1 A 63 63 GLU N N 63 125.296 125.438 -0.142 1
1 724 . 6 1 1 A 64 64 THR H H 64 7.100 7.734 -0.634 1
1 725 . 6 1 1 A 64 64 THR HA H 64 4.279 4.371 -0.092 1
1 730 . 6 1 1 A 64 64 THR C C 64 175.290 174.143 1.147 1
1 731 . 6 1 1 A 64 64 THR CA C 64 61.466 62.267 -0.801 1
1 732 . 6 1 1 A 64 64 THR CB C 64 68.840 69.596 -0.756 1
1 734 . 6 1 1 A 64 64 THR N N 64 102.822 109.657 -6.835 1
1 735 . 6 1 1 A 65 65 SER H H 65 7.749 7.864 -0.115 1
1 736 . 6 1 1 A 65 65 SER HA H 65 4.676 4.783 -0.107 1
1 739 . 6 1 1 A 65 65 SER C C 65 174.300 173.776 0.524 1
1 740 . 6 1 1 A 65 65 SER CA C 65 58.060 56.034 2.026 1
1 741 . 6 1 1 A 65 65 SER CB C 65 64.950 65.810 -0.860 1
1 742 . 6 1 1 A 65 65 SER N N 65 117.966 118.711 -0.745 1
1 743 . 6 1 1 A 66 66 THR H H 66 8.512 8.460 0.052 1
1 744 . 6 1 1 A 66 66 THR HA H 66 5.032 4.929 0.103 1
1 750 . 6 1 1 A 66 66 THR C C 66 177.300 176.703 0.597 1
1 751 . 6 1 1 A 66 66 THR CA C 66 60.200 59.462 0.738 1
1 752 . 6 1 1 A 66 66 THR CB C 66 71.550 71.880 -0.330 1
1 754 . 6 1 1 A 66 66 THR N N 66 111.490 114.570 -3.080 1
1 755 . 6 1 1 A 67 67 LEU H H 67 8.451 8.557 -0.106 1
1 756 . 6 1 1 A 67 67 LEU HA H 67 3.753 4.050 -0.297 1
1 766 . 6 1 1 A 67 67 LEU C C 67 179.170 179.152 0.018 1
1 767 . 6 1 1 A 67 67 LEU CA C 67 59.234 58.471 0.763 1
1 768 . 6 1 1 A 67 67 LEU CB C 67 38.897 41.429 -2.532 1
1 772 . 6 1 1 A 67 67 LEU N N 67 122.302 122.617 -0.315 1
1 773 . 6 1 1 A 68 68 LYS H H 68 8.313 8.138 0.175 1
1 774 . 6 1 1 A 68 68 LYS HA H 68 4.090 3.917 0.173 1
1 783 . 6 1 1 A 68 68 LYS C C 68 180.950 179.276 1.674 1
1 784 . 6 1 1 A 68 68 LYS CA C 68 59.620 59.109 0.511 1
1 785 . 6 1 1 A 68 68 LYS CB C 68 32.490 32.054 0.436 1
1 789 . 6 1 1 A 68 68 LYS N N 68 120.066 119.982 0.084 1
1 790 . 6 1 1 A 69 69 GLN H H 69 8.019 7.879 0.140 1
1 791 . 6 1 1 A 69 69 GLN HA H 69 4.086 4.139 -0.053 1
1 798 . 6 1 1 A 69 69 GLN C C 69 177.840 177.511 0.329 1
1 799 . 6 1 1 A 69 69 GLN CA C 69 58.260 58.627 -0.367 1
1 800 . 6 1 1 A 69 69 GLN CB C 69 28.580 28.664 -0.084 1
1 802 . 6 1 1 A 69 69 GLN N N 69 119.594 118.949 0.645 1
1 804 . 6 1 1 A 70 70 SER H H 70 7.544 7.793 -0.249 1
1 805 . 6 1 1 A 70 70 SER HA H 70 4.517 4.437 0.080 1
1 808 . 6 1 1 A 70 70 SER C C 70 171.870 174.193 -2.323 1
1 809 . 6 1 1 A 70 70 SER CA C 70 58.920 58.534 0.386 1
1 810 . 6 1 1 A 70 70 SER CB C 70 64.446 63.111 1.335 1
1 811 . 6 1 1 A 70 70 SER N N 70 114.028 111.929 2.099 1
1 812 . 6 1 1 A 71 71 ASP H H 71 7.882 7.807 0.075 1
1 813 . 6 1 1 A 71 71 ASP HA H 71 4.278 4.406 -0.128 1
1 816 . 6 1 1 A 71 71 ASP C C 71 174.050 175.296 -1.246 1
1 817 . 6 1 1 A 71 71 ASP CA C 71 55.660 55.680 -0.020 1
1 818 . 6 1 1 A 71 71 ASP CB C 71 39.540 39.532 0.008 1
1 819 . 6 1 1 A 71 71 ASP N N 71 116.055 116.544 -0.489 1
1 820 . 6 1 1 A 72 72 VAL H H 72 7.723 7.864 -0.141 1
1 821 . 6 1 1 A 72 72 VAL HA H 72 3.285 3.827 -0.542 1
1 829 . 6 1 1 A 72 72 VAL C C 72 173.980 175.380 -1.400 1
1 830 . 6 1 1 A 72 72 VAL CA C 72 62.744 61.890 0.854 1
1 831 . 6 1 1 A 72 72 VAL CB C 72 30.727 30.440 0.287 1
1 834 . 6 1 1 A 72 72 VAL N N 72 119.423 119.530 -0.107 1
1 835 . 6 1 1 A 73 73 GLY H H 73 7.722 8.644 -0.922 1
1 836 . 6 1 1 A 73 73 GLY HA2 H 73 3.590 4.127 -0.537 1
1 837 . 6 1 1 A 73 73 GLY HA3 H 73 4.416 4.142 0.274 1
1 838 . 6 1 1 A 73 73 GLY C C 73 172.450 173.695 -1.245 1
1 839 . 6 1 1 A 73 73 GLY CA C 73 42.820 43.943 -1.123 1
1 840 . 6 1 1 A 73 73 GLY N N 73 114.445 116.081 -1.636 1
1 841 . 6 1 1 A 74 74 SER H H 74 8.552 8.397 0.155 1
1 842 . 6 1 1 A 74 74 SER HA H 74 4.365 4.412 -0.047 1
1 845 . 6 1 1 A 74 74 SER C C 74 177.240 175.176 2.064 1
1 846 . 6 1 1 A 74 74 SER CA C 74 60.420 59.247 1.173 1
1 847 . 6 1 1 A 74 74 SER CB C 74 63.350 62.405 0.945 1
1 848 . 6 1 1 A 74 74 SER N N 74 111.883 114.381 -2.498 1
1 849 . 6 1 1 A 75 75 GLY H H 75 9.718 8.649 1.069 1
1 850 . 6 1 1 A 75 75 GLY HA2 H 75 3.693 4.071 -0.378 1
1 851 . 6 1 1 A 75 75 GLY HA3 H 75 4.328 4.076 0.252 1
1 852 . 6 1 1 A 75 75 GLY C C 75 174.500 173.827 0.673 1
1 853 . 6 1 1 A 75 75 GLY CA C 75 44.990 46.156 -1.166 1
1 854 . 6 1 1 A 75 75 GLY N N 75 115.986 112.444 3.542 1
1 855 . 6 1 1 A 76 76 ALA H H 76 7.939 7.555 0.384 1
1 856 . 6 1 1 A 76 76 ALA HA H 76 4.363 5.038 -0.675 1
1 860 . 6 1 1 A 76 76 ALA C C 76 176.170 175.265 0.905 1
1 861 . 6 1 1 A 76 76 ALA CA C 76 53.372 51.125 2.247 1
1 862 . 6 1 1 A 76 76 ALA CB C 76 21.400 23.781 -2.381 1
1 863 . 6 1 1 A 76 76 ALA N N 76 123.830 121.644 2.186 1
1 864 . 6 1 1 A 77 77 LYS H H 77 8.435 8.610 -0.175 1
1 865 . 6 1 1 A 77 77 LYS HA H 77 5.195 5.290 -0.095 1
1 874 . 6 1 1 A 77 77 LYS C C 77 175.450 175.180 0.270 1
1 875 . 6 1 1 A 77 77 LYS CA C 77 54.930 54.833 0.097 1
1 876 . 6 1 1 A 77 77 LYS CB C 77 33.520 35.507 -1.987 1
1 880 . 6 1 1 A 77 77 LYS N N 77 120.636 118.445 2.191 1
1 881 . 6 1 1 A 78 78 LEU H H 78 9.016 9.251 -0.235 1
1 882 . 6 1 1 A 78 78 LEU HA H 78 5.225 5.043 0.182 1
1 892 . 6 1 1 A 78 78 LEU C C 78 175.970 175.402 0.568 1
1 893 . 6 1 1 A 78 78 LEU CA C 78 53.700 53.636 0.064 1
1 894 . 6 1 1 A 78 78 LEU CB C 78 45.250 43.352 1.898 1
1 898 . 6 1 1 A 78 78 LEU N N 78 123.751 125.416 -1.665 1
1 899 . 6 1 1 A 79 79 MET H H 79 8.983 8.839 0.144 1
1 900 . 6 1 1 A 79 79 MET HA H 79 5.163 4.777 0.386 1
1 905 . 6 1 1 A 79 79 MET C C 79 173.970 175.118 -1.148 1
1 906 . 6 1 1 A 79 79 MET CA C 79 55.508 54.781 0.727 1
1 907 . 6 1 1 A 79 79 MET CB C 79 35.180 33.238 1.942 1
1 909 . 6 1 1 A 79 79 MET N N 79 120.990 124.966 -3.976 1
1 910 . 6 1 1 A 80 80 LEU H H 80 8.905 8.713 0.192 1
1 911 . 6 1 1 A 80 80 LEU HA H 80 5.235 5.141 0.094 1
1 921 . 6 1 1 A 80 80 LEU C C 80 174.730 175.071 -0.341 1
1 922 . 6 1 1 A 80 80 LEU CA C 80 54.071 53.446 0.625 1
1 923 . 6 1 1 A 80 80 LEU CB C 80 43.540 44.547 -1.007 1
1 927 . 6 1 1 A 81 81 MET H H 81 9.229 8.967 0.262 1
1 928 . 6 1 1 A 81 81 MET HA H 81 4.960 4.746 0.214 1
1 936 . 6 1 1 A 81 81 MET C C 81 174.450 174.962 -0.512 1
1 937 . 6 1 1 A 81 81 MET CA C 81 53.830 54.416 -0.586 1
1 938 . 6 1 1 A 81 81 MET CB C 81 34.810 31.660 3.150 1
1 941 . 6 1 1 A 81 81 MET N N 81 125.712 128.200 -2.488 1
1 942 . 6 1 1 A 82 82 ALA H H 82 8.891 7.817 1.074 1
1 943 . 6 1 1 A 82 82 ALA HA H 82 5.043 5.031 0.012 1
1 947 . 6 1 1 A 82 82 ALA C C 82 177.470 175.388 2.082 1
1 948 . 6 1 1 A 82 82 ALA CA C 82 51.010 51.338 -0.328 1
1 949 . 6 1 1 A 82 82 ALA CB C 82 21.124 23.525 -2.401 1
1 950 . 6 1 1 A 82 82 ALA N N 82 126.315 127.953 -1.638 1
1 951 . 6 1 1 A 83 83 SER H H 83 8.719 8.882 -0.163 1
1 952 . 6 1 1 A 83 83 SER HA H 83 4.497 5.380 -0.883 1
1 955 . 6 1 1 A 83 83 SER C C 83 174.360 172.094 2.266 1
1 956 . 6 1 1 A 83 83 SER CA C 83 58.534 56.124 2.410 1
1 957 . 6 1 1 A 83 83 SER CB C 83 64.140 66.638 -2.498 1
1 958 . 6 1 1 A 83 83 SER N N 83 117.987 114.737 3.250 1
1 959 . 6 1 1 A 84 84 GLN H H 84 8.629 8.689 -0.060 1
1 960 . 6 1 1 A 84 84 GLN HA H 84 4.449 4.794 -0.345 1
1 967 . 6 1 1 A 84 84 GLN C C 84 175.370 175.799 -0.429 1
1 968 . 6 1 1 A 84 84 GLN CA C 84 55.890 54.700 1.190 1
1 969 . 6 1 1 A 84 84 GLN CB C 84 29.860 30.309 -0.449 1
1 971 . 6 1 1 A 84 84 GLN N N 84 122.746 123.808 -1.062 1
1 1 . 7 1 1 A 10 10 HIS HA H 10 4.506 4.114 0.392 1
1 4 . 7 1 1 A 10 10 HIS C C 10 176.040 174.923 1.117 1
1 5 . 7 1 1 A 10 10 HIS CA C 10 55.850 56.770 -0.920 1
1 6 . 7 1 1 A 10 10 HIS CB C 10 33.250 28.791 4.459 1
1 7 . 7 1 1 A 11 11 SER H H 11 8.462 7.625 0.837 1
1 8 . 7 1 1 A 11 11 SER HA H 11 4.516 4.364 0.152 1
1 10 . 7 1 1 A 11 11 SER C C 11 174.050 173.967 0.083 1
1 11 . 7 1 1 A 11 11 SER CA C 11 59.054 58.829 0.225 1
1 12 . 7 1 1 A 11 11 SER CB C 11 63.850 63.959 -0.109 1
1 13 . 7 1 1 A 11 11 SER N N 11 117.900 115.759 2.141 1
1 14 . 7 1 1 A 12 12 THR H H 12 7.923 8.686 -0.763 1
1 15 . 7 1 1 A 12 12 THR HA H 12 4.581 5.079 -0.498 1
1 20 . 7 1 1 A 12 12 THR C C 12 174.140 173.478 0.662 1
1 21 . 7 1 1 A 12 12 THR CA C 12 61.245 59.822 1.423 1
1 22 . 7 1 1 A 12 12 THR CB C 12 71.940 71.621 0.319 1
1 24 . 7 1 1 A 12 12 THR N N 12 112.783 114.779 -1.996 1
1 25 . 7 1 1 A 13 13 ILE H H 13 9.201 8.777 0.424 1
1 26 . 7 1 1 A 13 13 ILE HA H 13 4.532 4.563 -0.031 1
1 36 . 7 1 1 A 13 13 ILE C C 13 173.930 175.403 -1.473 1
1 37 . 7 1 1 A 13 13 ILE CA C 13 59.720 60.369 -0.649 1
1 38 . 7 1 1 A 13 13 ILE CB C 13 41.597 38.885 2.712 1
1 42 . 7 1 1 A 13 13 ILE N N 13 117.602 121.402 -3.800 1
1 43 . 7 1 1 A 14 14 LYS H H 14 8.077 8.386 -0.309 1
1 44 . 7 1 1 A 14 14 LYS HA H 14 5.110 4.764 0.346 1
1 53 . 7 1 1 A 14 14 LYS C C 14 175.360 175.417 -0.057 1
1 54 . 7 1 1 A 14 14 LYS CA C 14 55.200 55.567 -0.367 1
1 55 . 7 1 1 A 14 14 LYS CB C 14 33.130 32.640 0.490 1
1 59 . 7 1 1 A 14 14 LYS N N 14 122.699 124.887 -2.188 1
1 60 . 7 1 1 A 15 15 LEU H H 15 8.953 9.434 -0.481 1
1 61 . 7 1 1 A 15 15 LEU HA H 15 5.025 4.835 0.190 1
1 71 . 7 1 1 A 15 15 LEU C C 15 176.400 176.057 0.343 1
1 72 . 7 1 1 A 15 15 LEU CA C 15 53.620 53.635 -0.015 1
1 73 . 7 1 1 A 15 15 LEU CB C 15 45.380 42.690 2.690 1
1 77 . 7 1 1 A 15 15 LEU N N 15 121.650 126.060 -4.410 1
1 78 . 7 1 1 A 16 16 THR H H 16 8.412 8.693 -0.281 1
1 79 . 7 1 1 A 16 16 THR HA H 16 5.075 5.135 -0.060 1
1 84 . 7 1 1 A 16 16 THR C C 16 173.070 172.740 0.330 1
1 85 . 7 1 1 A 16 16 THR CA C 16 61.380 61.729 -0.349 1
1 86 . 7 1 1 A 16 16 THR CB C 16 71.700 71.121 0.579 1
1 88 . 7 1 1 A 16 16 THR N N 16 114.701 116.039 -1.338 1
1 89 . 7 1 1 A 17 17 VAL H H 17 9.083 9.080 0.003 1
1 90 . 7 1 1 A 17 17 VAL HA H 17 4.600 5.021 -0.421 1
1 98 . 7 1 1 A 17 17 VAL C C 17 174.570 174.328 0.242 1
1 99 . 7 1 1 A 17 17 VAL CA C 17 61.005 59.906 1.099 1
1 100 . 7 1 1 A 17 17 VAL CB C 17 33.600 34.066 -0.466 1
1 103 . 7 1 1 A 17 17 VAL N N 17 125.565 128.222 -2.657 1
1 104 . 7 1 1 A 18 18 LYS H H 18 9.183 8.571 0.612 1
1 105 . 7 1 1 A 18 18 LYS HA H 18 5.156 5.042 0.114 1
1 114 . 7 1 1 A 18 18 LYS C C 18 175.150 175.268 -0.118 1
1 115 . 7 1 1 A 18 18 LYS CA C 18 54.630 55.361 -0.731 1
1 116 . 7 1 1 A 18 18 LYS CB C 18 33.217 32.992 0.225 1
1 120 . 7 1 1 A 18 18 LYS N N 18 129.200 127.015 2.185 1
1 121 . 7 1 1 A 19 19 PHE H H 19 8.927 9.075 -0.148 1
1 122 . 7 1 1 A 19 19 PHE HA H 19 5.377 4.801 0.576 1
1 129 . 7 1 1 A 19 19 PHE C C 19 175.850 175.686 0.164 1
1 130 . 7 1 1 A 19 19 PHE CA C 19 55.330 56.684 -1.354 1
1 131 . 7 1 1 A 19 19 PHE CB C 19 41.690 37.300 4.390 1
1 136 . 7 1 1 A 19 19 PHE N N 19 126.659 125.066 1.593 1
1 139 . 7 1 1 A 20 20 GLY H H 20 9.275 8.470 0.805 1
1 140 . 7 1 1 A 20 20 GLY HA2 H 20 3.580 3.873 -0.293 1
1 141 . 7 1 1 A 20 20 GLY HA3 H 20 3.578 3.905 -0.327 1
1 142 . 7 1 1 A 20 20 GLY C C 20 175.090 175.114 -0.024 1
1 143 . 7 1 1 A 20 20 GLY CA C 20 47.070 47.252 -0.182 1
1 144 . 7 1 1 A 20 20 GLY N N 20 119.629 113.897 5.732 1
1 145 . 7 1 1 A 21 21 GLY H H 21 8.819 8.850 -0.031 1
1 146 . 7 1 1 A 21 21 GLY HA2 H 21 3.942 3.977 -0.035 1
1 147 . 7 1 1 A 21 21 GLY HA3 H 21 3.942 3.979 -0.037 1
1 148 . 7 1 1 A 21 21 GLY C C 21 173.890 174.126 -0.236 1
1 149 . 7 1 1 A 21 21 GLY CA C 21 45.290 45.119 0.171 1
1 150 . 7 1 1 A 21 21 GLY N N 21 111.500 114.321 -2.821 1
1 151 . 7 1 1 A 22 22 LYS H H 22 7.975 7.684 0.291 1
1 152 . 7 1 1 A 22 22 LYS HA H 22 4.616 4.963 -0.347 1
1 161 . 7 1 1 A 22 22 LYS C C 22 175.450 175.258 0.192 1
1 162 . 7 1 1 A 22 22 LYS CA C 22 55.514 54.353 1.161 1
1 163 . 7 1 1 A 22 22 LYS CB C 22 34.790 35.212 -0.422 1
1 167 . 7 1 1 A 22 22 LYS N N 22 121.832 120.381 1.451 1
1 168 . 7 1 1 A 23 23 SER H H 23 8.722 9.055 -0.333 1
1 169 . 7 1 1 A 23 23 SER HA H 23 4.841 5.521 -0.680 1
1 172 . 7 1 1 A 23 23 SER C C 23 173.910 172.759 1.151 1
1 173 . 7 1 1 A 23 23 SER CA C 23 58.344 56.699 1.645 1
1 174 . 7 1 1 A 23 23 SER CB C 23 64.237 64.621 -0.384 1
1 175 . 7 1 1 A 23 23 SER N N 23 119.004 116.611 2.393 1
1 176 . 7 1 1 A 24 24 ILE H H 24 9.444 9.281 0.163 1
1 177 . 7 1 1 A 24 24 ILE HA H 24 4.502 4.664 -0.162 1
1 187 . 7 1 1 A 24 24 ILE C C 24 173.590 174.829 -1.239 1
1 188 . 7 1 1 A 24 24 ILE CA C 24 59.145 57.806 1.339 1
1 189 . 7 1 1 A 24 24 ILE CB C 24 40.620 38.548 2.072 1
1 193 . 7 1 1 A 24 24 ILE N N 24 129.205 126.923 2.282 1
1 194 . 7 1 1 A 25 25 PRO HA H 25 5.179 5.264 -0.085 1
1 201 . 7 1 1 A 25 25 PRO C C 25 176.750 176.257 0.493 1
1 202 . 7 1 1 A 25 25 PRO CA C 25 61.740 62.380 -0.640 1
1 203 . 7 1 1 A 25 25 PRO CB C 25 32.010 31.899 0.111 1
1 206 . 7 1 1 A 26 26 LEU H H 26 8.720 8.806 -0.086 1
1 207 . 7 1 1 A 26 26 LEU HA H 26 4.731 4.870 -0.139 1
1 217 . 7 1 1 A 26 26 LEU C C 26 175.450 175.378 0.072 1
1 218 . 7 1 1 A 26 26 LEU CA C 26 54.731 53.500 1.231 1
1 219 . 7 1 1 A 26 26 LEU CB C 26 47.766 44.815 2.951 1
1 223 . 7 1 1 A 26 26 LEU N N 26 122.986 123.847 -0.861 1
1 224 . 7 1 1 A 27 27 SER H H 27 8.404 8.940 -0.536 1
1 225 . 7 1 1 A 27 27 SER HA H 27 5.504 5.573 -0.069 1
1 228 . 7 1 1 A 27 27 SER C C 27 174.498 173.615 0.883 1
1 229 . 7 1 1 A 27 27 SER CA C 27 57.000 56.700 0.300 1
1 230 . 7 1 1 A 27 27 SER CB C 27 63.850 64.278 -0.428 1
1 231 . 7 1 1 A 27 27 SER N N 27 118.151 119.318 -1.167 1
1 232 . 7 1 1 A 28 28 VAL H H 28 8.743 8.841 -0.098 1
1 233 . 7 1 1 A 28 28 VAL HA H 28 4.792 5.061 -0.269 1
1 241 . 7 1 1 A 28 28 VAL C C 28 174.250 174.495 -0.245 1
1 242 . 7 1 1 A 28 28 VAL CA C 28 58.792 58.913 -0.121 1
1 243 . 7 1 1 A 28 28 VAL CB C 28 36.600 35.834 0.766 1
1 246 . 7 1 1 A 28 28 VAL N N 28 118.097 121.516 -3.419 1
1 247 . 7 1 1 A 29 29 SER H H 29 8.694 8.731 -0.037 1
1 248 . 7 1 1 A 29 29 SER HA H 29 4.960 4.730 0.230 1
1 251 . 7 1 1 A 29 29 SER C C 29 175.159 174.258 0.901 1
1 252 . 7 1 1 A 29 29 SER CA C 29 55.925 56.213 -0.288 1
1 253 . 7 1 1 A 29 29 SER CB C 29 64.080 63.773 0.307 1
1 254 . 7 1 1 A 29 29 SER N N 29 116.965 117.837 -0.872 1
1 255 . 7 1 1 A 30 30 PRO HA H 30 4.277 4.342 -0.065 1
1 262 . 7 1 1 A 30 30 PRO C C 30 175.705 177.548 -1.843 1
1 263 . 7 1 1 A 30 30 PRO CA C 30 64.825 64.933 -0.108 1
1 264 . 7 1 1 A 30 30 PRO CB C 30 32.074 32.011 0.063 1
1 267 . 7 1 1 A 31 31 ASP H H 31 7.818 8.655 -0.837 1
1 268 . 7 1 1 A 31 31 ASP HA H 31 4.725 4.486 0.239 1
1 271 . 7 1 1 A 31 31 ASP C C 31 175.040 176.374 -1.334 1
1 272 . 7 1 1 A 31 31 ASP CA C 31 54.160 55.610 -1.450 1
1 273 . 7 1 1 A 31 31 ASP CB C 31 41.590 40.893 0.697 1
1 274 . 7 1 1 A 31 31 ASP N N 31 114.503 117.394 -2.891 1
1 275 . 7 1 1 A 32 32 CYS H H 32 7.657 7.408 0.249 1
1 276 . 7 1 1 A 32 32 CYS HA H 32 4.483 4.730 -0.247 1
1 279 . 7 1 1 A 32 32 CYS C C 32 174.805 175.153 -0.348 1
1 280 . 7 1 1 A 32 32 CYS CA C 32 59.510 59.032 0.478 1
1 281 . 7 1 1 A 32 32 CYS CB C 32 28.010 29.067 -1.057 1
1 282 . 7 1 1 A 32 32 CYS N N 32 119.852 118.130 1.722 1
1 283 . 7 1 1 A 33 33 THR H H 33 8.992 8.774 0.218 1
1 284 . 7 1 1 A 33 33 THR HA H 33 4.861 4.793 0.068 1
1 289 . 7 1 1 A 33 33 THR C C 33 176.350 176.213 0.137 1
1 290 . 7 1 1 A 33 33 THR CA C 33 61.165 60.825 0.340 1
1 291 . 7 1 1 A 33 33 THR CB C 33 71.968 71.183 0.785 1
1 293 . 7 1 1 A 33 33 THR N N 33 115.278 113.933 1.345 1
1 294 . 7 1 1 A 34 34 VAL H H 34 8.558 8.879 -0.321 1
1 295 . 7 1 1 A 34 34 VAL HA H 34 3.384 3.859 -0.475 1
1 303 . 7 1 1 A 34 34 VAL C C 34 177.880 177.768 0.112 1
1 304 . 7 1 1 A 34 34 VAL CA C 34 67.050 65.466 1.584 1
1 305 . 7 1 1 A 34 34 VAL CB C 34 31.303 31.504 -0.201 1
1 308 . 7 1 1 A 34 34 VAL N N 34 123.274 119.628 3.646 1
1 309 . 7 1 1 A 35 35 LYS H H 35 8.316 8.006 0.310 1
1 310 . 7 1 1 A 35 35 LYS HA H 35 3.758 3.919 -0.161 1
1 319 . 7 1 1 A 35 35 LYS C C 35 178.180 178.224 -0.044 1
1 320 . 7 1 1 A 35 35 LYS CA C 35 60.812 59.085 1.727 1
1 321 . 7 1 1 A 35 35 LYS CB C 35 32.610 31.882 0.728 1
1 325 . 7 1 1 A 35 35 LYS N N 35 119.813 120.918 -1.105 1
1 326 . 7 1 1 A 36 36 ASP H H 36 7.959 8.266 -0.307 1
1 327 . 7 1 1 A 36 36 ASP HA H 36 4.414 4.381 0.033 1
1 330 . 7 1 1 A 36 36 ASP C C 36 179.395 178.633 0.762 1
1 331 . 7 1 1 A 36 36 ASP CA C 36 57.360 57.700 -0.340 1
1 332 . 7 1 1 A 36 36 ASP CB C 36 40.350 41.664 -1.314 1
1 333 . 7 1 1 A 36 36 ASP N N 36 120.728 119.606 1.122 1
1 334 . 7 1 1 A 37 37 LEU H H 37 8.147 8.284 -0.137 1
1 335 . 7 1 1 A 37 37 LEU HA H 37 3.976 3.915 0.061 1
1 345 . 7 1 1 A 37 37 LEU C C 37 178.630 179.225 -0.595 1
1 346 . 7 1 1 A 37 37 LEU CA C 37 58.210 58.061 0.149 1
1 347 . 7 1 1 A 37 37 LEU CB C 37 41.470 41.511 -0.041 1
1 351 . 7 1 1 A 37 37 LEU N N 37 123.841 120.010 3.831 1
1 352 . 7 1 1 A 38 38 LYS H H 38 8.308 8.057 0.251 1
1 353 . 7 1 1 A 38 38 LYS HA H 38 4.505 3.904 0.601 1
1 362 . 7 1 1 A 38 38 LYS C C 38 180.780 179.285 1.495 1
1 363 . 7 1 1 A 38 38 LYS CA C 38 59.910 59.776 0.134 1
1 364 . 7 1 1 A 38 38 LYS CB C 38 34.270 32.228 2.042 1
1 368 . 7 1 1 A 38 38 LYS N N 38 117.736 117.572 0.164 1
1 369 . 7 1 1 A 39 39 SER H H 39 7.952 7.664 0.288 1
1 370 . 7 1 1 A 39 39 SER HA H 39 4.230 4.210 0.020 1
1 373 . 7 1 1 A 39 39 SER C C 39 177.240 177.078 0.162 1
1 374 . 7 1 1 A 39 39 SER CA C 39 62.440 61.306 1.134 1
1 375 . 7 1 1 A 39 39 SER CB C 39 62.670 63.129 -0.459 1
1 376 . 7 1 1 A 39 39 SER N N 39 115.100 114.584 0.516 1
1 377 . 7 1 1 A 40 40 GLN H H 40 7.899 7.296 0.603 1
1 378 . 7 1 1 A 40 40 GLN HA H 40 4.125 4.207 -0.082 1
1 385 . 7 1 1 A 40 40 GLN C C 40 178.330 178.446 -0.116 1
1 386 . 7 1 1 A 40 40 GLN CA C 40 59.045 58.504 0.541 1
1 387 . 7 1 1 A 40 40 GLN CB C 40 28.893 28.602 0.291 1
1 389 . 7 1 1 A 40 40 GLN N N 40 121.600 121.693 -0.093 1
1 391 . 7 1 1 A 41 41 LEU H H 41 8.010 8.580 -0.570 1
1 392 . 7 1 1 A 41 41 LEU HA H 41 4.130 4.165 -0.035 1
1 402 . 7 1 1 A 41 41 LEU C C 41 179.980 178.893 1.087 1
1 403 . 7 1 1 A 41 41 LEU CA C 41 56.472 56.541 -0.069 1
1 404 . 7 1 1 A 41 41 LEU CB C 41 42.660 41.765 0.895 1
1 408 . 7 1 1 A 41 41 LEU N N 41 116.657 119.169 -2.512 1
1 409 . 7 1 1 A 42 42 GLN H H 42 7.903 8.056 -0.153 1
1 410 . 7 1 1 A 42 42 GLN HA H 42 4.180 4.100 0.080 1
1 417 . 7 1 1 A 42 42 GLN C C 42 174.350 174.377 -0.027 1
1 418 . 7 1 1 A 42 42 GLN CA C 42 61.300 61.093 0.207 1
1 419 . 7 1 1 A 42 42 GLN CB C 42 25.250 26.184 -0.934 1
1 421 . 7 1 1 A 42 42 GLN N N 42 125.104 120.566 4.538 1
1 423 . 7 1 1 A 43 43 PRO HA H 43 4.410 4.420 -0.010 1
1 430 . 7 1 1 A 43 43 PRO C C 43 177.270 178.072 -0.802 1
1 431 . 7 1 1 A 43 43 PRO CA C 43 65.130 64.977 0.153 1
1 432 . 7 1 1 A 43 43 PRO CB C 43 31.208 31.341 -0.133 1
1 435 . 7 1 1 A 44 44 ILE H H 44 6.568 7.855 -1.287 1
1 436 . 7 1 1 A 44 44 ILE HA H 44 3.959 4.024 -0.065 1
1 446 . 7 1 1 A 44 44 ILE C C 44 177.060 177.865 -0.805 1
1 447 . 7 1 1 A 44 44 ILE CA C 44 63.670 63.124 0.546 1
1 448 . 7 1 1 A 44 44 ILE CB C 44 40.270 38.732 1.538 1
1 452 . 7 1 1 A 44 44 ILE N N 44 114.765 116.618 -1.853 1
1 453 . 7 1 1 A 45 45 THR H H 45 7.826 8.332 -0.506 1
1 454 . 7 1 1 A 45 45 THR HA H 45 4.202 4.295 -0.093 1
1 459 . 7 1 1 A 45 45 THR C C 45 174.990 175.694 -0.704 1
1 460 . 7 1 1 A 45 45 THR CA C 45 62.696 62.002 0.694 1
1 461 . 7 1 1 A 45 45 THR CB C 45 71.682 70.321 1.361 1
1 463 . 7 1 1 A 45 45 THR N N 45 107.323 109.946 -2.623 1
1 464 . 7 1 1 A 46 46 ASN H H 46 8.660 8.138 0.522 1
1 465 . 7 1 1 A 46 46 ASN HA H 46 4.381 4.517 -0.136 1
1 470 . 7 1 1 A 46 46 ASN C C 46 173.900 173.440 0.460 1
1 471 . 7 1 1 A 46 46 ASN CA C 46 54.890 54.599 0.291 1
1 472 . 7 1 1 A 46 46 ASN CB C 46 38.207 37.027 1.180 1
1 473 . 7 1 1 A 46 46 ASN N N 46 117.586 115.875 1.711 1
1 475 . 7 1 1 A 47 47 VAL H H 47 7.517 7.342 0.175 1
1 476 . 7 1 1 A 47 47 VAL HA H 47 4.134 4.522 -0.388 1
1 484 . 7 1 1 A 47 47 VAL C C 47 176.140 175.306 0.834 1
1 485 . 7 1 1 A 47 47 VAL CA C 47 61.763 60.287 1.476 1
1 486 . 7 1 1 A 47 47 VAL CB C 47 32.925 33.838 -0.913 1
1 489 . 7 1 1 A 47 47 VAL N N 47 119.901 119.327 0.574 1
1 490 . 7 1 1 A 48 48 LEU H H 48 8.650 8.627 0.023 1
1 491 . 7 1 1 A 48 48 LEU HA H 48 4.194 4.497 -0.303 1
1 501 . 7 1 1 A 48 48 LEU C C 48 177.110 176.953 0.157 1
1 502 . 7 1 1 A 48 48 LEU CA C 48 54.491 53.400 1.091 1
1 503 . 7 1 1 A 48 48 LEU CB C 48 41.171 41.534 -0.363 1
1 507 . 7 1 1 A 48 48 LEU N N 48 128.467 127.179 1.288 1
1 508 . 7 1 1 A 49 49 PRO HA H 49 3.923 4.271 -0.348 1
1 515 . 7 1 1 A 49 49 PRO C C 49 178.430 178.089 0.341 1
1 516 . 7 1 1 A 49 49 PRO CA C 49 67.000 65.016 1.984 1
1 517 . 7 1 1 A 49 49 PRO CB C 49 32.456 32.040 0.416 1
1 520 . 7 1 1 A 50 50 ARG H H 50 8.331 8.198 0.133 1
1 521 . 7 1 1 A 50 50 ARG HA H 50 4.239 4.072 0.167 1
1 528 . 7 1 1 A 50 50 ARG C C 50 176.940 178.484 -1.544 1
1 529 . 7 1 1 A 50 50 ARG CA C 50 58.130 59.197 -1.067 1
1 530 . 7 1 1 A 50 50 ARG CB C 50 29.200 29.640 -0.440 1
1 533 . 7 1 1 A 50 50 ARG N N 50 114.500 118.501 -4.001 1
1 534 . 7 1 1 A 51 51 GLY H H 51 8.199 7.826 0.373 1
1 535 . 7 1 1 A 51 51 GLY HA2 H 51 3.605 3.968 -0.363 1
1 536 . 7 1 1 A 51 51 GLY HA3 H 51 4.335 3.975 0.360 1
1 537 . 7 1 1 A 51 51 GLY C C 51 173.340 174.476 -1.136 1
1 538 . 7 1 1 A 51 51 GLY CA C 51 44.750 45.704 -0.954 1
1 539 . 7 1 1 A 51 51 GLY N N 51 107.942 107.190 0.752 1
1 540 . 7 1 1 A 52 52 GLN H H 52 7.475 7.497 -0.022 1
1 541 . 7 1 1 A 52 52 GLN HA H 52 4.315 4.407 -0.092 1
1 548 . 7 1 1 A 52 52 GLN C C 52 175.770 174.729 1.041 1
1 549 . 7 1 1 A 52 52 GLN CA C 52 56.023 55.047 0.976 1
1 550 . 7 1 1 A 52 52 GLN CB C 52 31.494 28.013 3.481 1
1 552 . 7 1 1 A 52 52 GLN N N 52 119.769 119.348 0.421 1
1 554 . 7 1 1 A 53 53 LYS H H 53 8.586 8.490 0.096 1
1 555 . 7 1 1 A 53 53 LYS HA H 53 4.500 4.599 -0.099 1
1 564 . 7 1 1 A 53 53 LYS C C 53 174.080 175.288 -1.208 1
1 565 . 7 1 1 A 53 53 LYS CA C 53 55.950 55.796 0.154 1
1 566 . 7 1 1 A 53 53 LYS CB C 53 34.690 32.550 2.140 1
1 570 . 7 1 1 A 53 53 LYS N N 53 123.759 124.806 -1.047 1
1 571 . 7 1 1 A 54 54 LEU H H 54 8.900 9.017 -0.117 1
1 572 . 7 1 1 A 54 54 LEU HA H 54 5.271 4.665 0.606 1
1 582 . 7 1 1 A 54 54 LEU C C 54 174.940 175.823 -0.883 1
1 583 . 7 1 1 A 54 54 LEU CA C 54 53.250 53.979 -0.729 1
1 584 . 7 1 1 A 54 54 LEU CB C 54 45.042 41.088 3.954 1
1 588 . 7 1 1 A 54 54 LEU N N 54 126.200 126.636 -0.436 1
1 589 . 7 1 1 A 55 55 ILE H H 55 9.330 9.164 0.166 1
1 590 . 7 1 1 A 55 55 ILE HA H 55 4.886 5.156 -0.270 1
1 600 . 7 1 1 A 55 55 ILE C C 55 175.623 175.167 0.456 1
1 601 . 7 1 1 A 55 55 ILE CA C 55 59.402 59.989 -0.587 1
1 602 . 7 1 1 A 55 55 ILE CB C 55 40.270 40.034 0.236 1
1 606 . 7 1 1 A 55 55 ILE N N 55 123.589 125.203 -1.614 1
1 607 . 7 1 1 A 56 56 PHE H H 56 9.241 9.082 0.159 1
1 608 . 7 1 1 A 56 56 PHE HA H 56 5.212 4.832 0.380 1
1 615 . 7 1 1 A 56 56 PHE C C 56 174.600 174.856 -0.256 1
1 616 . 7 1 1 A 56 56 PHE CA C 56 55.936 57.692 -1.756 1
1 617 . 7 1 1 A 56 56 PHE CB C 56 42.830 42.742 0.088 1
1 622 . 7 1 1 A 56 56 PHE N N 56 127.423 126.800 0.623 1
1 625 . 7 1 1 A 57 57 LYS H H 57 9.307 9.223 0.084 1
1 626 . 7 1 1 A 57 57 LYS HA H 57 3.630 3.623 0.007 1
1 635 . 7 1 1 A 57 57 LYS C C 57 176.620 176.461 0.159 1
1 636 . 7 1 1 A 57 57 LYS CA C 57 57.495 56.920 0.575 1
1 637 . 7 1 1 A 57 57 LYS CB C 57 30.100 29.879 0.221 1
1 641 . 7 1 1 A 57 57 LYS N N 57 128.612 127.871 0.741 1
1 642 . 7 1 1 A 58 58 GLY H H 58 8.288 8.430 -0.142 1
1 643 . 7 1 1 A 58 58 GLY HA2 H 58 3.487 3.816 -0.329 1
1 644 . 7 1 1 A 58 58 GLY HA3 H 58 4.098 3.830 0.268 1
1 645 . 7 1 1 A 58 58 GLY C C 58 173.568 173.338 0.230 1
1 646 . 7 1 1 A 58 58 GLY CA C 58 45.475 45.273 0.202 1
1 647 . 7 1 1 A 58 58 GLY N N 58 102.757 105.135 -2.378 1
1 648 . 7 1 1 A 59 59 LYS H H 59 7.900 7.710 0.190 1
1 649 . 7 1 1 A 59 59 LYS HA H 59 4.667 4.603 0.064 1
1 658 . 7 1 1 A 59 59 LYS C C 59 174.830 175.471 -0.641 1
1 659 . 7 1 1 A 59 59 LYS CA C 59 55.222 54.727 0.495 1
1 660 . 7 1 1 A 59 59 LYS CB C 59 35.010 34.189 0.821 1
1 664 . 7 1 1 A 59 59 LYS N N 59 121.753 121.716 0.037 1
1 665 . 7 1 1 A 60 60 VAL H H 60 8.587 8.600 -0.013 1
1 666 . 7 1 1 A 60 60 VAL HA H 60 4.209 4.148 0.061 1
1 674 . 7 1 1 A 60 60 VAL C C 60 177.380 176.155 1.225 1
1 675 . 7 1 1 A 60 60 VAL CA C 60 63.080 62.957 0.123 1
1 676 . 7 1 1 A 60 60 VAL CB C 60 32.101 31.577 0.524 1
1 679 . 7 1 1 A 60 60 VAL N N 60 123.795 127.000 -3.205 1
1 680 . 7 1 1 A 61 61 LEU H H 61 8.876 8.898 -0.022 1
1 681 . 7 1 1 A 61 61 LEU HA H 61 4.430 4.151 0.279 1
1 691 . 7 1 1 A 61 61 LEU C C 61 176.660 177.072 -0.412 1
1 692 . 7 1 1 A 61 61 LEU CA C 61 54.760 55.695 -0.935 1
1 693 . 7 1 1 A 61 61 LEU CB C 61 43.060 41.474 1.586 1
1 697 . 7 1 1 A 61 61 LEU N N 61 129.083 129.171 -0.088 1
1 698 . 7 1 1 A 62 62 VAL H H 62 8.759 8.664 0.095 1
1 699 . 7 1 1 A 62 62 VAL HA H 62 3.989 4.008 -0.019 1
1 707 . 7 1 1 A 62 62 VAL C C 62 178.390 177.073 1.317 1
1 708 . 7 1 1 A 62 62 VAL CA C 62 63.077 63.820 -0.743 1
1 709 . 7 1 1 A 62 62 VAL CB C 62 32.440 32.009 0.431 1
1 712 . 7 1 1 A 62 62 VAL N N 62 124.193 125.716 -1.523 1
1 713 . 7 1 1 A 63 63 GLU H H 63 8.806 8.824 -0.018 1
1 714 . 7 1 1 A 63 63 GLU HA H 63 3.757 4.058 -0.301 1
1 719 . 7 1 1 A 63 63 GLU C C 63 176.500 177.637 -1.137 1
1 720 . 7 1 1 A 63 63 GLU CA C 63 60.509 59.612 0.897 1
1 721 . 7 1 1 A 63 63 GLU CB C 63 30.580 29.203 1.377 1
1 723 . 7 1 1 A 63 63 GLU N N 63 125.296 125.198 0.098 1
1 724 . 7 1 1 A 64 64 THR H H 64 7.100 7.580 -0.480 1
1 725 . 7 1 1 A 64 64 THR HA H 64 4.279 4.376 -0.097 1
1 730 . 7 1 1 A 64 64 THR C C 64 175.290 173.720 1.570 1
1 731 . 7 1 1 A 64 64 THR CA C 64 61.466 62.297 -0.831 1
1 732 . 7 1 1 A 64 64 THR CB C 64 68.840 69.280 -0.440 1
1 734 . 7 1 1 A 64 64 THR N N 64 102.822 109.441 -6.619 1
1 735 . 7 1 1 A 65 65 SER H H 65 7.749 7.759 -0.010 1
1 736 . 7 1 1 A 65 65 SER HA H 65 4.676 5.149 -0.473 1
1 739 . 7 1 1 A 65 65 SER C C 65 174.300 174.009 0.291 1
1 740 . 7 1 1 A 65 65 SER CA C 65 58.060 56.611 1.449 1
1 741 . 7 1 1 A 65 65 SER CB C 65 64.950 65.686 -0.736 1
1 742 . 7 1 1 A 65 65 SER N N 65 117.966 118.721 -0.755 1
1 743 . 7 1 1 A 66 66 THR H H 66 8.512 8.664 -0.152 1
1 744 . 7 1 1 A 66 66 THR HA H 66 5.032 4.823 0.209 1
1 750 . 7 1 1 A 66 66 THR C C 66 177.300 176.363 0.937 1
1 751 . 7 1 1 A 66 66 THR CA C 66 60.200 59.808 0.392 1
1 752 . 7 1 1 A 66 66 THR CB C 66 71.550 72.023 -0.473 1
1 754 . 7 1 1 A 66 66 THR N N 66 111.490 115.373 -3.883 1
1 755 . 7 1 1 A 67 67 LEU H H 67 8.451 8.773 -0.322 1
1 756 . 7 1 1 A 67 67 LEU HA H 67 3.753 3.927 -0.174 1
1 766 . 7 1 1 A 67 67 LEU C C 67 179.170 179.042 0.128 1
1 767 . 7 1 1 A 67 67 LEU CA C 67 59.234 58.205 1.029 1
1 768 . 7 1 1 A 67 67 LEU CB C 67 38.897 41.443 -2.546 1
1 772 . 7 1 1 A 67 67 LEU N N 67 122.302 122.158 0.144 1
1 773 . 7 1 1 A 68 68 LYS H H 68 8.313 8.193 0.120 1
1 774 . 7 1 1 A 68 68 LYS HA H 68 4.090 3.912 0.178 1
1 783 . 7 1 1 A 68 68 LYS C C 68 180.950 179.487 1.463 1
1 784 . 7 1 1 A 68 68 LYS CA C 68 59.620 59.888 -0.268 1
1 785 . 7 1 1 A 68 68 LYS CB C 68 32.490 32.422 0.068 1
1 789 . 7 1 1 A 68 68 LYS N N 68 120.066 121.382 -1.316 1
1 790 . 7 1 1 A 69 69 GLN H H 69 8.019 8.071 -0.052 1
1 791 . 7 1 1 A 69 69 GLN HA H 69 4.086 4.197 -0.111 1
1 798 . 7 1 1 A 69 69 GLN C C 69 177.840 176.525 1.315 1
1 799 . 7 1 1 A 69 69 GLN CA C 69 58.260 58.082 0.178 1
1 800 . 7 1 1 A 69 69 GLN CB C 69 28.580 28.643 -0.063 1
1 802 . 7 1 1 A 69 69 GLN N N 69 119.594 119.484 0.110 1
1 804 . 7 1 1 A 70 70 SER H H 70 7.544 7.587 -0.043 1
1 805 . 7 1 1 A 70 70 SER HA H 70 4.517 4.706 -0.189 1
1 808 . 7 1 1 A 70 70 SER C C 70 171.870 173.878 -2.008 1
1 809 . 7 1 1 A 70 70 SER CA C 70 58.920 57.612 1.308 1
1 810 . 7 1 1 A 70 70 SER CB C 70 64.446 63.347 1.099 1
1 811 . 7 1 1 A 70 70 SER N N 70 114.028 113.281 0.747 1
1 812 . 7 1 1 A 71 71 ASP H H 71 7.882 7.868 0.014 1
1 813 . 7 1 1 A 71 71 ASP HA H 71 4.278 4.323 -0.045 1
1 816 . 7 1 1 A 71 71 ASP C C 71 174.050 175.346 -1.296 1
1 817 . 7 1 1 A 71 71 ASP CA C 71 55.660 55.586 0.074 1
1 818 . 7 1 1 A 71 71 ASP CB C 71 39.540 39.497 0.043 1
1 819 . 7 1 1 A 71 71 ASP N N 71 116.055 118.748 -2.693 1
1 820 . 7 1 1 A 72 72 VAL H H 72 7.723 8.057 -0.334 1
1 821 . 7 1 1 A 72 72 VAL HA H 72 3.285 3.999 -0.714 1
1 829 . 7 1 1 A 72 72 VAL C C 72 173.980 175.293 -1.313 1
1 830 . 7 1 1 A 72 72 VAL CA C 72 62.744 62.062 0.682 1
1 831 . 7 1 1 A 72 72 VAL CB C 72 30.727 30.510 0.217 1
1 834 . 7 1 1 A 72 72 VAL N N 72 119.423 119.505 -0.082 1
1 835 . 7 1 1 A 73 73 GLY H H 73 7.722 8.999 -1.277 1
1 836 . 7 1 1 A 73 73 GLY HA2 H 73 3.590 4.190 -0.600 1
1 837 . 7 1 1 A 73 73 GLY HA3 H 73 4.416 4.207 0.209 1
1 838 . 7 1 1 A 73 73 GLY C C 73 172.450 172.499 -0.049 1
1 839 . 7 1 1 A 73 73 GLY CA C 73 42.820 43.990 -1.170 1
1 840 . 7 1 1 A 73 73 GLY N N 73 114.445 115.590 -1.145 1
1 841 . 7 1 1 A 74 74 SER H H 74 8.552 8.560 -0.008 1
1 842 . 7 1 1 A 74 74 SER HA H 74 4.365 4.159 0.206 1
1 845 . 7 1 1 A 74 74 SER C C 74 177.240 175.219 2.021 1
1 846 . 7 1 1 A 74 74 SER CA C 74 60.420 59.991 0.429 1
1 847 . 7 1 1 A 74 74 SER CB C 74 63.350 62.667 0.683 1
1 848 . 7 1 1 A 74 74 SER N N 74 111.883 115.326 -3.443 1
1 849 . 7 1 1 A 75 75 GLY H H 75 9.718 9.047 0.671 1
1 850 . 7 1 1 A 75 75 GLY HA2 H 75 3.693 3.956 -0.263 1
1 851 . 7 1 1 A 75 75 GLY HA3 H 75 4.328 3.962 0.366 1
1 852 . 7 1 1 A 75 75 GLY C C 75 174.500 174.679 -0.179 1
1 853 . 7 1 1 A 75 75 GLY CA C 75 44.990 45.059 -0.069 1
1 854 . 7 1 1 A 75 75 GLY N N 75 115.986 114.686 1.300 1
1 855 . 7 1 1 A 76 76 ALA H H 76 7.939 7.664 0.275 1
1 856 . 7 1 1 A 76 76 ALA HA H 76 4.363 4.442 -0.079 1
1 860 . 7 1 1 A 76 76 ALA C C 76 176.170 176.984 -0.814 1
1 861 . 7 1 1 A 76 76 ALA CA C 76 53.372 52.321 1.051 1
1 862 . 7 1 1 A 76 76 ALA CB C 76 21.400 19.484 1.916 1
1 863 . 7 1 1 A 76 76 ALA N N 76 123.830 123.867 -0.037 1
1 864 . 7 1 1 A 77 77 LYS H H 77 8.435 8.654 -0.219 1
1 865 . 7 1 1 A 77 77 LYS HA H 77 5.195 5.052 0.143 1
1 874 . 7 1 1 A 77 77 LYS C C 77 175.450 175.733 -0.283 1
1 875 . 7 1 1 A 77 77 LYS CA C 77 54.930 55.483 -0.553 1
1 876 . 7 1 1 A 77 77 LYS CB C 77 33.520 33.067 0.453 1
1 880 . 7 1 1 A 77 77 LYS N N 77 120.636 122.709 -2.073 1
1 881 . 7 1 1 A 78 78 LEU H H 78 9.016 9.092 -0.076 1
1 882 . 7 1 1 A 78 78 LEU HA H 78 5.225 4.960 0.265 1
1 892 . 7 1 1 A 78 78 LEU C C 78 175.970 176.152 -0.182 1
1 893 . 7 1 1 A 78 78 LEU CA C 78 53.700 53.831 -0.131 1
1 894 . 7 1 1 A 78 78 LEU CB C 78 45.250 43.143 2.107 1
1 898 . 7 1 1 A 78 78 LEU N N 78 123.751 126.147 -2.396 1
1 899 . 7 1 1 A 79 79 MET H H 79 8.983 8.925 0.058 1
1 900 . 7 1 1 A 79 79 MET HA H 79 5.163 5.062 0.101 1
1 905 . 7 1 1 A 79 79 MET C C 79 173.970 173.827 0.143 1
1 906 . 7 1 1 A 79 79 MET CA C 79 55.508 54.416 1.092 1
1 907 . 7 1 1 A 79 79 MET CB C 79 35.180 35.725 -0.545 1
1 909 . 7 1 1 A 79 79 MET N N 79 120.990 122.038 -1.048 1
1 910 . 7 1 1 A 80 80 LEU H H 80 8.905 8.880 0.025 1
1 911 . 7 1 1 A 80 80 LEU HA H 80 5.235 5.112 0.123 1
1 921 . 7 1 1 A 80 80 LEU C C 80 174.730 175.221 -0.491 1
1 922 . 7 1 1 A 80 80 LEU CA C 80 54.071 53.526 0.545 1
1 923 . 7 1 1 A 80 80 LEU CB C 80 43.540 43.933 -0.393 1
1 927 . 7 1 1 A 81 81 MET H H 81 9.229 9.088 0.141 1
1 928 . 7 1 1 A 81 81 MET HA H 81 4.960 4.600 0.360 1
1 936 . 7 1 1 A 81 81 MET C C 81 174.450 174.568 -0.118 1
1 937 . 7 1 1 A 81 81 MET CA C 81 53.830 54.605 -0.775 1
1 938 . 7 1 1 A 81 81 MET CB C 81 34.810 31.095 3.715 1
1 941 . 7 1 1 A 81 81 MET N N 81 125.712 127.996 -2.284 1
1 942 . 7 1 1 A 82 82 ALA H H 82 8.891 8.179 0.712 1
1 943 . 7 1 1 A 82 82 ALA HA H 82 5.043 4.900 0.143 1
1 947 . 7 1 1 A 82 82 ALA C C 82 177.470 177.213 0.257 1
1 948 . 7 1 1 A 82 82 ALA CA C 82 51.010 50.361 0.649 1
1 949 . 7 1 1 A 82 82 ALA CB C 82 21.124 22.420 -1.296 1
1 950 . 7 1 1 A 82 82 ALA N N 82 126.315 126.441 -0.126 1
1 951 . 7 1 1 A 83 83 SER H H 83 8.719 8.877 -0.158 1
1 952 . 7 1 1 A 83 83 SER HA H 83 4.497 4.184 0.313 1
1 955 . 7 1 1 A 83 83 SER C C 83 174.360 173.262 1.098 1
1 956 . 7 1 1 A 83 83 SER CA C 83 58.534 59.535 -1.001 1
1 957 . 7 1 1 A 83 83 SER CB C 83 64.140 61.123 3.017 1
1 958 . 7 1 1 A 83 83 SER N N 83 117.987 117.361 0.626 1
1 959 . 7 1 1 A 84 84 GLN H H 84 8.629 7.516 1.113 1
1 960 . 7 1 1 A 84 84 GLN HA H 84 4.449 4.728 -0.279 1
1 967 . 7 1 1 A 84 84 GLN C C 84 175.370 174.491 0.879 1
1 968 . 7 1 1 A 84 84 GLN CA C 84 55.890 54.287 1.603 1
1 969 . 7 1 1 A 84 84 GLN CB C 84 29.860 30.955 -1.095 1
1 971 . 7 1 1 A 84 84 GLN N N 84 122.746 117.163 5.583 1
1 1 . 8 1 1 A 10 10 HIS HA H 10 4.506 4.043 0.463 1
1 4 . 8 1 1 A 10 10 HIS C C 10 176.040 173.845 2.195 1
1 5 . 8 1 1 A 10 10 HIS CA C 10 55.850 57.021 -1.171 1
1 6 . 8 1 1 A 10 10 HIS CB C 10 33.250 26.758 6.492 1
1 7 . 8 1 1 A 11 11 SER H H 11 8.462 7.802 0.660 1
1 8 . 8 1 1 A 11 11 SER HA H 11 4.516 4.402 0.114 1
1 10 . 8 1 1 A 11 11 SER C C 11 174.050 173.045 1.005 1
1 11 . 8 1 1 A 11 11 SER CA C 11 59.054 56.933 2.121 1
1 12 . 8 1 1 A 11 11 SER CB C 11 63.850 61.884 1.966 1
1 13 . 8 1 1 A 11 11 SER N N 11 117.900 114.674 3.226 1
1 14 . 8 1 1 A 12 12 THR H H 12 7.923 8.100 -0.177 1
1 15 . 8 1 1 A 12 12 THR HA H 12 4.581 4.905 -0.324 1
1 20 . 8 1 1 A 12 12 THR C C 12 174.140 174.216 -0.076 1
1 21 . 8 1 1 A 12 12 THR CA C 12 61.245 61.050 0.195 1
1 22 . 8 1 1 A 12 12 THR CB C 12 71.940 69.632 2.308 1
1 24 . 8 1 1 A 12 12 THR N N 12 112.783 117.729 -4.946 1
1 25 . 8 1 1 A 13 13 ILE H H 13 9.201 8.430 0.771 1
1 26 . 8 1 1 A 13 13 ILE HA H 13 4.532 4.492 0.040 1
1 36 . 8 1 1 A 13 13 ILE C C 13 173.930 175.587 -1.657 1
1 37 . 8 1 1 A 13 13 ILE CA C 13 59.720 60.363 -0.643 1
1 38 . 8 1 1 A 13 13 ILE CB C 13 41.597 38.920 2.677 1
1 42 . 8 1 1 A 13 13 ILE N N 13 117.602 123.926 -6.324 1
1 43 . 8 1 1 A 14 14 LYS H H 14 8.077 8.371 -0.294 1
1 44 . 8 1 1 A 14 14 LYS HA H 14 5.110 4.964 0.146 1
1 53 . 8 1 1 A 14 14 LYS C C 14 175.360 175.208 0.152 1
1 54 . 8 1 1 A 14 14 LYS CA C 14 55.200 55.896 -0.696 1
1 55 . 8 1 1 A 14 14 LYS CB C 14 33.130 33.245 -0.115 1
1 59 . 8 1 1 A 14 14 LYS N N 14 122.699 123.952 -1.253 1
1 60 . 8 1 1 A 15 15 LEU H H 15 8.953 9.701 -0.748 1
1 61 . 8 1 1 A 15 15 LEU HA H 15 5.025 5.039 -0.014 1
1 71 . 8 1 1 A 15 15 LEU C C 15 176.400 175.556 0.844 1
1 72 . 8 1 1 A 15 15 LEU CA C 15 53.620 53.554 0.066 1
1 73 . 8 1 1 A 15 15 LEU CB C 15 45.380 42.432 2.948 1
1 77 . 8 1 1 A 15 15 LEU N N 15 121.650 126.767 -5.117 1
1 78 . 8 1 1 A 16 16 THR H H 16 8.412 9.195 -0.783 1
1 79 . 8 1 1 A 16 16 THR HA H 16 5.075 4.808 0.267 1
1 84 . 8 1 1 A 16 16 THR C C 16 173.070 173.795 -0.725 1
1 85 . 8 1 1 A 16 16 THR CA C 16 61.380 61.778 -0.398 1
1 86 . 8 1 1 A 16 16 THR CB C 16 71.700 68.448 3.252 1
1 88 . 8 1 1 A 16 16 THR N N 16 114.701 120.580 -5.879 1
1 89 . 8 1 1 A 17 17 VAL H H 17 9.083 8.891 0.192 1
1 90 . 8 1 1 A 17 17 VAL HA H 17 4.600 4.408 0.192 1
1 98 . 8 1 1 A 17 17 VAL C C 17 174.570 175.270 -0.700 1
1 99 . 8 1 1 A 17 17 VAL CA C 17 61.005 62.013 -1.008 1
1 100 . 8 1 1 A 17 17 VAL CB C 17 33.600 32.203 1.397 1
1 103 . 8 1 1 A 17 17 VAL N N 17 125.565 127.246 -1.681 1
1 104 . 8 1 1 A 18 18 LYS H H 18 9.183 9.000 0.183 1
1 105 . 8 1 1 A 18 18 LYS HA H 18 5.156 5.181 -0.025 1
1 114 . 8 1 1 A 18 18 LYS C C 18 175.150 175.496 -0.346 1
1 115 . 8 1 1 A 18 18 LYS CA C 18 54.630 55.292 -0.662 1
1 116 . 8 1 1 A 18 18 LYS CB C 18 33.217 32.708 0.509 1
1 120 . 8 1 1 A 18 18 LYS N N 18 129.200 128.196 1.004 1
1 121 . 8 1 1 A 19 19 PHE H H 19 8.927 9.120 -0.193 1
1 122 . 8 1 1 A 19 19 PHE HA H 19 5.377 4.733 0.644 1
1 129 . 8 1 1 A 19 19 PHE C C 19 175.850 176.074 -0.224 1
1 130 . 8 1 1 A 19 19 PHE CA C 19 55.330 56.790 -1.460 1
1 131 . 8 1 1 A 19 19 PHE CB C 19 41.690 37.385 4.305 1
1 136 . 8 1 1 A 19 19 PHE N N 19 126.659 124.813 1.846 1
1 139 . 8 1 1 A 20 20 GLY H H 20 9.275 8.527 0.748 1
1 140 . 8 1 1 A 20 20 GLY HA2 H 20 3.580 3.874 -0.294 1
1 141 . 8 1 1 A 20 20 GLY HA3 H 20 3.578 3.900 -0.322 1
1 142 . 8 1 1 A 20 20 GLY C C 20 175.090 175.118 -0.028 1
1 143 . 8 1 1 A 20 20 GLY CA C 20 47.070 47.334 -0.264 1
1 144 . 8 1 1 A 20 20 GLY N N 20 119.629 114.714 4.915 1
1 145 . 8 1 1 A 21 21 GLY H H 21 8.819 8.603 0.216 1
1 146 . 8 1 1 A 21 21 GLY HA2 H 21 3.942 4.048 -0.106 1
1 147 . 8 1 1 A 21 21 GLY HA3 H 21 3.942 4.048 -0.106 1
1 148 . 8 1 1 A 21 21 GLY C C 21 173.890 173.952 -0.062 1
1 149 . 8 1 1 A 21 21 GLY CA C 21 45.290 45.051 0.239 1
1 150 . 8 1 1 A 21 21 GLY N N 21 111.500 112.532 -1.032 1
1 151 . 8 1 1 A 22 22 LYS H H 22 7.975 7.724 0.251 1
1 152 . 8 1 1 A 22 22 LYS HA H 22 4.616 4.454 0.162 1
1 161 . 8 1 1 A 22 22 LYS C C 22 175.450 175.374 0.076 1
1 162 . 8 1 1 A 22 22 LYS CA C 22 55.514 55.305 0.209 1
1 163 . 8 1 1 A 22 22 LYS CB C 22 34.790 32.654 2.136 1
1 167 . 8 1 1 A 22 22 LYS N N 22 121.832 120.596 1.236 1
1 168 . 8 1 1 A 23 23 SER H H 23 8.722 9.098 -0.376 1
1 169 . 8 1 1 A 23 23 SER HA H 23 4.841 4.883 -0.042 1
1 172 . 8 1 1 A 23 23 SER C C 23 173.910 173.775 0.135 1
1 173 . 8 1 1 A 23 23 SER CA C 23 58.344 58.443 -0.099 1
1 174 . 8 1 1 A 23 23 SER CB C 23 64.237 63.272 0.965 1
1 175 . 8 1 1 A 23 23 SER N N 23 119.004 122.333 -3.329 1
1 176 . 8 1 1 A 24 24 ILE H H 24 9.444 9.189 0.255 1
1 177 . 8 1 1 A 24 24 ILE HA H 24 4.502 4.699 -0.197 1
1 187 . 8 1 1 A 24 24 ILE C C 24 173.590 174.916 -1.326 1
1 188 . 8 1 1 A 24 24 ILE CA C 24 59.145 58.307 0.838 1
1 189 . 8 1 1 A 24 24 ILE CB C 24 40.620 38.364 2.256 1
1 193 . 8 1 1 A 24 24 ILE N N 24 129.205 127.575 1.630 1
1 194 . 8 1 1 A 25 25 PRO HA H 25 5.179 5.016 0.163 1
1 201 . 8 1 1 A 25 25 PRO C C 25 176.750 175.887 0.863 1
1 202 . 8 1 1 A 25 25 PRO CA C 25 61.740 61.869 -0.129 1
1 203 . 8 1 1 A 25 25 PRO CB C 25 32.010 31.557 0.453 1
1 206 . 8 1 1 A 26 26 LEU H H 26 8.720 8.941 -0.221 1
1 207 . 8 1 1 A 26 26 LEU HA H 26 4.731 4.872 -0.141 1
1 217 . 8 1 1 A 26 26 LEU C C 26 175.450 176.043 -0.593 1
1 218 . 8 1 1 A 26 26 LEU CA C 26 54.731 53.536 1.195 1
1 219 . 8 1 1 A 26 26 LEU CB C 26 47.766 43.653 4.113 1
1 223 . 8 1 1 A 26 26 LEU N N 26 122.986 124.922 -1.936 1
1 224 . 8 1 1 A 27 27 SER H H 27 8.404 8.857 -0.453 1
1 225 . 8 1 1 A 27 27 SER HA H 27 5.504 5.304 0.200 1
1 228 . 8 1 1 A 27 27 SER C C 27 174.498 173.835 0.663 1
1 229 . 8 1 1 A 27 27 SER CA C 27 57.000 58.257 -1.257 1
1 230 . 8 1 1 A 27 27 SER CB C 27 63.850 63.927 -0.077 1
1 231 . 8 1 1 A 27 27 SER N N 27 118.151 121.477 -3.326 1
1 232 . 8 1 1 A 28 28 VAL H H 28 8.743 9.028 -0.285 1
1 233 . 8 1 1 A 28 28 VAL HA H 28 4.792 5.017 -0.225 1
1 241 . 8 1 1 A 28 28 VAL C C 28 174.250 174.726 -0.476 1
1 242 . 8 1 1 A 28 28 VAL CA C 28 58.792 58.977 -0.185 1
1 243 . 8 1 1 A 28 28 VAL CB C 28 36.600 35.576 1.024 1
1 246 . 8 1 1 A 28 28 VAL N N 28 118.097 119.230 -1.133 1
1 247 . 8 1 1 A 29 29 SER H H 29 8.694 8.644 0.050 1
1 248 . 8 1 1 A 29 29 SER HA H 29 4.960 4.723 0.237 1
1 251 . 8 1 1 A 29 29 SER C C 29 175.159 174.380 0.779 1
1 252 . 8 1 1 A 29 29 SER CA C 29 55.925 56.703 -0.778 1
1 253 . 8 1 1 A 29 29 SER CB C 29 64.080 63.084 0.996 1
1 254 . 8 1 1 A 29 29 SER N N 29 116.965 117.744 -0.779 1
1 255 . 8 1 1 A 30 30 PRO HA H 30 4.277 4.401 -0.124 1
1 262 . 8 1 1 A 30 30 PRO C C 30 175.705 177.419 -1.714 1
1 263 . 8 1 1 A 30 30 PRO CA C 30 64.825 64.642 0.183 1
1 264 . 8 1 1 A 30 30 PRO CB C 30 32.074 31.951 0.123 1
1 267 . 8 1 1 A 31 31 ASP H H 31 7.818 8.616 -0.798 1
1 268 . 8 1 1 A 31 31 ASP HA H 31 4.725 4.470 0.255 1
1 271 . 8 1 1 A 31 31 ASP C C 31 175.040 176.356 -1.316 1
1 272 . 8 1 1 A 31 31 ASP CA C 31 54.160 55.294 -1.134 1
1 273 . 8 1 1 A 31 31 ASP CB C 31 41.590 41.100 0.490 1
1 274 . 8 1 1 A 31 31 ASP N N 31 114.503 117.176 -2.673 1
1 275 . 8 1 1 A 32 32 CYS H H 32 7.657 7.288 0.369 1
1 276 . 8 1 1 A 32 32 CYS HA H 32 4.483 4.727 -0.244 1
1 279 . 8 1 1 A 32 32 CYS C C 32 174.805 175.190 -0.385 1
1 280 . 8 1 1 A 32 32 CYS CA C 32 59.510 59.010 0.500 1
1 281 . 8 1 1 A 32 32 CYS CB C 32 28.010 29.183 -1.173 1
1 282 . 8 1 1 A 32 32 CYS N N 32 119.852 118.119 1.733 1
1 283 . 8 1 1 A 33 33 THR H H 33 8.992 8.790 0.202 1
1 284 . 8 1 1 A 33 33 THR HA H 33 4.861 4.762 0.099 1
1 289 . 8 1 1 A 33 33 THR C C 33 176.350 176.264 0.086 1
1 290 . 8 1 1 A 33 33 THR CA C 33 61.165 60.864 0.301 1
1 291 . 8 1 1 A 33 33 THR CB C 33 71.968 71.177 0.791 1
1 293 . 8 1 1 A 33 33 THR N N 33 115.278 113.686 1.592 1
1 294 . 8 1 1 A 34 34 VAL H H 34 8.558 8.885 -0.327 1
1 295 . 8 1 1 A 34 34 VAL HA H 34 3.384 3.860 -0.476 1
1 303 . 8 1 1 A 34 34 VAL C C 34 177.880 177.565 0.315 1
1 304 . 8 1 1 A 34 34 VAL CA C 34 67.050 65.235 1.815 1
1 305 . 8 1 1 A 34 34 VAL CB C 34 31.303 31.567 -0.264 1
1 308 . 8 1 1 A 34 34 VAL N N 34 123.274 120.001 3.273 1
1 309 . 8 1 1 A 35 35 LYS H H 35 8.316 7.597 0.719 1
1 310 . 8 1 1 A 35 35 LYS HA H 35 3.758 3.939 -0.181 1
1 319 . 8 1 1 A 35 35 LYS C C 35 178.180 177.841 0.339 1
1 320 . 8 1 1 A 35 35 LYS CA C 35 60.812 58.877 1.935 1
1 321 . 8 1 1 A 35 35 LYS CB C 35 32.610 31.856 0.754 1
1 325 . 8 1 1 A 35 35 LYS N N 35 119.813 121.163 -1.350 1
1 326 . 8 1 1 A 36 36 ASP H H 36 7.959 7.965 -0.006 1
1 327 . 8 1 1 A 36 36 ASP HA H 36 4.414 4.392 0.022 1
1 330 . 8 1 1 A 36 36 ASP C C 36 179.395 178.701 0.694 1
1 331 . 8 1 1 A 36 36 ASP CA C 36 57.360 57.399 -0.039 1
1 332 . 8 1 1 A 36 36 ASP CB C 36 40.350 40.997 -0.647 1
1 333 . 8 1 1 A 36 36 ASP N N 36 120.728 119.650 1.078 1
1 334 . 8 1 1 A 37 37 LEU H H 37 8.147 7.947 0.200 1
1 335 . 8 1 1 A 37 37 LEU HA H 37 3.976 3.877 0.099 1
1 345 . 8 1 1 A 37 37 LEU C C 37 178.630 179.238 -0.608 1
1 346 . 8 1 1 A 37 37 LEU CA C 37 58.210 57.941 0.269 1
1 347 . 8 1 1 A 37 37 LEU CB C 37 41.470 41.639 -0.169 1
1 351 . 8 1 1 A 37 37 LEU N N 37 123.841 119.993 3.848 1
1 352 . 8 1 1 A 38 38 LYS H H 38 8.308 7.967 0.341 1
1 353 . 8 1 1 A 38 38 LYS HA H 38 4.505 3.912 0.593 1
1 362 . 8 1 1 A 38 38 LYS C C 38 180.780 178.317 2.463 1
1 363 . 8 1 1 A 38 38 LYS CA C 38 59.910 59.715 0.195 1
1 364 . 8 1 1 A 38 38 LYS CB C 38 34.270 32.234 2.036 1
1 368 . 8 1 1 A 38 38 LYS N N 38 117.736 117.794 -0.058 1
1 369 . 8 1 1 A 39 39 SER H H 39 7.952 7.889 0.063 1
1 370 . 8 1 1 A 39 39 SER HA H 39 4.230 4.283 -0.053 1
1 373 . 8 1 1 A 39 39 SER C C 39 177.240 176.103 1.137 1
1 374 . 8 1 1 A 39 39 SER CA C 39 62.440 60.415 2.025 1
1 375 . 8 1 1 A 39 39 SER CB C 39 62.670 63.125 -0.455 1
1 376 . 8 1 1 A 39 39 SER N N 39 115.100 114.442 0.658 1
1 377 . 8 1 1 A 40 40 GLN H H 40 7.899 7.599 0.300 1
1 378 . 8 1 1 A 40 40 GLN HA H 40 4.125 4.243 -0.118 1
1 385 . 8 1 1 A 40 40 GLN C C 40 178.330 178.337 -0.007 1
1 386 . 8 1 1 A 40 40 GLN CA C 40 59.045 58.346 0.699 1
1 387 . 8 1 1 A 40 40 GLN CB C 40 28.893 28.738 0.155 1
1 389 . 8 1 1 A 40 40 GLN N N 40 121.600 120.236 1.364 1
1 391 . 8 1 1 A 41 41 LEU H H 41 8.010 8.312 -0.302 1
1 392 . 8 1 1 A 41 41 LEU HA H 41 4.130 4.218 -0.088 1
1 402 . 8 1 1 A 41 41 LEU C C 41 179.980 178.803 1.177 1
1 403 . 8 1 1 A 41 41 LEU CA C 41 56.472 56.486 -0.014 1
1 404 . 8 1 1 A 41 41 LEU CB C 41 42.660 42.262 0.398 1
1 408 . 8 1 1 A 41 41 LEU N N 41 116.657 118.962 -2.305 1
1 409 . 8 1 1 A 42 42 GLN H H 42 7.903 8.035 -0.132 1
1 410 . 8 1 1 A 42 42 GLN HA H 42 4.180 4.082 0.098 1
1 417 . 8 1 1 A 42 42 GLN C C 42 174.350 174.265 0.085 1
1 418 . 8 1 1 A 42 42 GLN CA C 42 61.300 61.159 0.141 1
1 419 . 8 1 1 A 42 42 GLN CB C 42 25.250 26.216 -0.966 1
1 421 . 8 1 1 A 42 42 GLN N N 42 125.104 120.614 4.490 1
1 423 . 8 1 1 A 43 43 PRO HA H 43 4.410 4.408 0.002 1
1 430 . 8 1 1 A 43 43 PRO C C 43 177.270 178.353 -1.083 1
1 431 . 8 1 1 A 43 43 PRO CA C 43 65.130 65.039 0.091 1
1 432 . 8 1 1 A 43 43 PRO CB C 43 31.208 31.308 -0.100 1
1 435 . 8 1 1 A 44 44 ILE H H 44 6.568 7.638 -1.070 1
1 436 . 8 1 1 A 44 44 ILE HA H 44 3.959 3.951 0.008 1
1 446 . 8 1 1 A 44 44 ILE C C 44 177.060 177.681 -0.621 1
1 447 . 8 1 1 A 44 44 ILE CA C 44 63.670 63.382 0.288 1
1 448 . 8 1 1 A 44 44 ILE CB C 44 40.270 38.533 1.737 1
1 452 . 8 1 1 A 44 44 ILE N N 44 114.765 116.670 -1.905 1
1 453 . 8 1 1 A 45 45 THR H H 45 7.826 8.140 -0.314 1
1 454 . 8 1 1 A 45 45 THR HA H 45 4.202 4.263 -0.061 1
1 459 . 8 1 1 A 45 45 THR C C 45 174.990 175.384 -0.394 1
1 460 . 8 1 1 A 45 45 THR CA C 45 62.696 61.228 1.468 1
1 461 . 8 1 1 A 45 45 THR CB C 45 71.682 69.779 1.903 1
1 463 . 8 1 1 A 45 45 THR N N 45 107.323 109.077 -1.754 1
1 464 . 8 1 1 A 46 46 ASN H H 46 8.660 8.043 0.617 1
1 465 . 8 1 1 A 46 46 ASN HA H 46 4.381 4.589 -0.208 1
1 470 . 8 1 1 A 46 46 ASN C C 46 173.900 174.579 -0.679 1
1 471 . 8 1 1 A 46 46 ASN CA C 46 54.890 54.815 0.075 1
1 472 . 8 1 1 A 46 46 ASN CB C 46 38.207 37.184 1.023 1
1 473 . 8 1 1 A 46 46 ASN N N 46 117.586 116.354 1.232 1
1 475 . 8 1 1 A 47 47 VAL H H 47 7.517 7.266 0.251 1
1 476 . 8 1 1 A 47 47 VAL HA H 47 4.134 4.052 0.082 1
1 484 . 8 1 1 A 47 47 VAL C C 47 176.140 175.074 1.066 1
1 485 . 8 1 1 A 47 47 VAL CA C 47 61.763 62.583 -0.820 1
1 486 . 8 1 1 A 47 47 VAL CB C 47 32.925 31.941 0.984 1
1 489 . 8 1 1 A 47 47 VAL N N 47 119.901 120.635 -0.734 1
1 490 . 8 1 1 A 48 48 LEU H H 48 8.650 8.433 0.217 1
1 491 . 8 1 1 A 48 48 LEU HA H 48 4.194 4.279 -0.085 1
1 501 . 8 1 1 A 48 48 LEU C C 48 177.110 177.372 -0.262 1
1 502 . 8 1 1 A 48 48 LEU CA C 48 54.491 54.001 0.490 1
1 503 . 8 1 1 A 48 48 LEU CB C 48 41.171 41.286 -0.115 1
1 507 . 8 1 1 A 48 48 LEU N N 48 128.467 128.201 0.266 1
1 508 . 8 1 1 A 49 49 PRO HA H 49 3.923 4.233 -0.310 1
1 515 . 8 1 1 A 49 49 PRO C C 49 178.430 177.886 0.544 1
1 516 . 8 1 1 A 49 49 PRO CA C 49 67.000 65.218 1.782 1
1 517 . 8 1 1 A 49 49 PRO CB C 49 32.456 31.941 0.515 1
1 520 . 8 1 1 A 50 50 ARG H H 50 8.331 8.162 0.169 1
1 521 . 8 1 1 A 50 50 ARG HA H 50 4.239 4.045 0.194 1
1 528 . 8 1 1 A 50 50 ARG C C 50 176.940 179.012 -2.072 1
1 529 . 8 1 1 A 50 50 ARG CA C 50 58.130 59.610 -1.480 1
1 530 . 8 1 1 A 50 50 ARG CB C 50 29.200 29.950 -0.750 1
1 533 . 8 1 1 A 50 50 ARG N N 50 114.500 118.614 -4.114 1
1 534 . 8 1 1 A 51 51 GLY H H 51 8.199 7.903 0.296 1
1 535 . 8 1 1 A 51 51 GLY HA2 H 51 3.605 3.842 -0.237 1
1 536 . 8 1 1 A 51 51 GLY HA3 H 51 4.335 3.853 0.482 1
1 537 . 8 1 1 A 51 51 GLY C C 51 173.340 175.205 -1.865 1
1 538 . 8 1 1 A 51 51 GLY CA C 51 44.750 47.094 -2.344 1
1 539 . 8 1 1 A 51 51 GLY N N 51 107.942 106.945 0.997 1
1 540 . 8 1 1 A 52 52 GLN H H 52 7.475 7.742 -0.267 1
1 541 . 8 1 1 A 52 52 GLN HA H 52 4.315 4.421 -0.106 1
1 548 . 8 1 1 A 52 52 GLN C C 52 175.770 174.627 1.143 1
1 549 . 8 1 1 A 52 52 GLN CA C 52 56.023 55.016 1.007 1
1 550 . 8 1 1 A 52 52 GLN CB C 52 31.494 27.599 3.895 1
1 552 . 8 1 1 A 52 52 GLN N N 52 119.769 119.014 0.755 1
1 554 . 8 1 1 A 53 53 LYS H H 53 8.586 8.703 -0.117 1
1 555 . 8 1 1 A 53 53 LYS HA H 53 4.500 4.609 -0.109 1
1 564 . 8 1 1 A 53 53 LYS C C 53 174.080 175.346 -1.266 1
1 565 . 8 1 1 A 53 53 LYS CA C 53 55.950 55.133 0.817 1
1 566 . 8 1 1 A 53 53 LYS CB C 53 34.690 32.108 2.582 1
1 570 . 8 1 1 A 53 53 LYS N N 53 123.759 125.076 -1.317 1
1 571 . 8 1 1 A 54 54 LEU H H 54 8.900 8.612 0.288 1
1 572 . 8 1 1 A 54 54 LEU HA H 54 5.271 4.477 0.794 1
1 582 . 8 1 1 A 54 54 LEU C C 54 174.940 176.176 -1.236 1
1 583 . 8 1 1 A 54 54 LEU CA C 54 53.250 54.781 -1.531 1
1 584 . 8 1 1 A 54 54 LEU CB C 54 45.042 41.023 4.019 1
1 588 . 8 1 1 A 54 54 LEU N N 54 126.200 125.613 0.587 1
1 589 . 8 1 1 A 55 55 ILE H H 55 9.330 8.796 0.534 1
1 590 . 8 1 1 A 55 55 ILE HA H 55 4.886 5.132 -0.246 1
1 600 . 8 1 1 A 55 55 ILE C C 55 175.623 174.103 1.520 1
1 601 . 8 1 1 A 55 55 ILE CA C 55 59.402 60.491 -1.089 1
1 602 . 8 1 1 A 55 55 ILE CB C 55 40.270 39.391 0.879 1
1 606 . 8 1 1 A 55 55 ILE N N 55 123.589 126.084 -2.495 1
1 607 . 8 1 1 A 56 56 PHE H H 56 9.241 9.246 -0.005 1
1 608 . 8 1 1 A 56 56 PHE HA H 56 5.212 4.807 0.405 1
1 615 . 8 1 1 A 56 56 PHE C C 56 174.600 175.174 -0.574 1
1 616 . 8 1 1 A 56 56 PHE CA C 56 55.936 57.471 -1.535 1
1 617 . 8 1 1 A 56 56 PHE CB C 56 42.830 41.310 1.520 1
1 622 . 8 1 1 A 56 56 PHE N N 56 127.423 128.853 -1.430 1
1 625 . 8 1 1 A 57 57 LYS H H 57 9.307 9.376 -0.069 1
1 626 . 8 1 1 A 57 57 LYS HA H 57 3.630 3.656 -0.026 1
1 635 . 8 1 1 A 57 57 LYS C C 57 176.620 176.433 0.187 1
1 636 . 8 1 1 A 57 57 LYS CA C 57 57.495 57.128 0.367 1
1 637 . 8 1 1 A 57 57 LYS CB C 57 30.100 29.870 0.230 1
1 641 . 8 1 1 A 57 57 LYS N N 57 128.612 127.931 0.681 1
1 642 . 8 1 1 A 58 58 GLY H H 58 8.288 8.376 -0.088 1
1 643 . 8 1 1 A 58 58 GLY HA2 H 58 3.487 3.843 -0.356 1
1 644 . 8 1 1 A 58 58 GLY HA3 H 58 4.098 3.855 0.243 1
1 645 . 8 1 1 A 58 58 GLY C C 58 173.568 173.552 0.016 1
1 646 . 8 1 1 A 58 58 GLY CA C 58 45.475 45.152 0.323 1
1 647 . 8 1 1 A 58 58 GLY N N 58 102.757 105.479 -2.722 1
1 648 . 8 1 1 A 59 59 LYS H H 59 7.900 8.084 -0.184 1
1 649 . 8 1 1 A 59 59 LYS HA H 59 4.667 4.541 0.126 1
1 658 . 8 1 1 A 59 59 LYS C C 59 174.830 175.477 -0.647 1
1 659 . 8 1 1 A 59 59 LYS CA C 59 55.222 55.125 0.097 1
1 660 . 8 1 1 A 59 59 LYS CB C 59 35.010 33.729 1.281 1
1 664 . 8 1 1 A 59 59 LYS N N 59 121.753 122.203 -0.450 1
1 665 . 8 1 1 A 60 60 VAL H H 60 8.587 8.584 0.003 1
1 666 . 8 1 1 A 60 60 VAL HA H 60 4.209 4.769 -0.560 1
1 674 . 8 1 1 A 60 60 VAL C C 60 177.380 174.896 2.484 1
1 675 . 8 1 1 A 60 60 VAL CA C 60 63.080 61.081 1.999 1
1 676 . 8 1 1 A 60 60 VAL CB C 60 32.101 33.120 -1.019 1
1 679 . 8 1 1 A 60 60 VAL N N 60 123.795 126.088 -2.293 1
1 680 . 8 1 1 A 61 61 LEU H H 61 8.876 9.031 -0.155 1
1 681 . 8 1 1 A 61 61 LEU HA H 61 4.430 4.540 -0.110 1
1 691 . 8 1 1 A 61 61 LEU C C 61 176.660 176.934 -0.274 1
1 692 . 8 1 1 A 61 61 LEU CA C 61 54.760 54.215 0.545 1
1 693 . 8 1 1 A 61 61 LEU CB C 61 43.060 41.478 1.582 1
1 697 . 8 1 1 A 61 61 LEU N N 61 129.083 130.170 -1.087 1
1 698 . 8 1 1 A 62 62 VAL H H 62 8.759 8.719 0.040 1
1 699 . 8 1 1 A 62 62 VAL HA H 62 3.989 3.992 -0.003 1
1 707 . 8 1 1 A 62 62 VAL C C 62 178.390 176.948 1.442 1
1 708 . 8 1 1 A 62 62 VAL CA C 62 63.077 63.697 -0.620 1
1 709 . 8 1 1 A 62 62 VAL CB C 62 32.440 31.942 0.498 1
1 712 . 8 1 1 A 62 62 VAL N N 62 124.193 125.706 -1.513 1
1 713 . 8 1 1 A 63 63 GLU H H 63 8.806 8.735 0.071 1
1 714 . 8 1 1 A 63 63 GLU HA H 63 3.757 3.946 -0.189 1
1 719 . 8 1 1 A 63 63 GLU C C 63 176.500 178.526 -2.026 1
1 720 . 8 1 1 A 63 63 GLU CA C 63 60.509 60.111 0.398 1
1 721 . 8 1 1 A 63 63 GLU CB C 63 30.580 29.402 1.178 1
1 723 . 8 1 1 A 63 63 GLU N N 63 125.296 125.914 -0.618 1
1 724 . 8 1 1 A 64 64 THR H H 64 7.100 7.736 -0.636 1
1 725 . 8 1 1 A 64 64 THR HA H 64 4.279 4.243 0.036 1
1 730 . 8 1 1 A 64 64 THR C C 64 175.290 175.045 0.245 1
1 731 . 8 1 1 A 64 64 THR CA C 64 61.466 63.150 -1.684 1
1 732 . 8 1 1 A 64 64 THR CB C 64 68.840 69.165 -0.325 1
1 734 . 8 1 1 A 64 64 THR N N 64 102.822 112.188 -9.366 1
1 735 . 8 1 1 A 65 65 SER H H 65 7.749 7.919 -0.170 1
1 736 . 8 1 1 A 65 65 SER HA H 65 4.676 4.442 0.234 1
1 739 . 8 1 1 A 65 65 SER C C 65 174.300 174.188 0.112 1
1 740 . 8 1 1 A 65 65 SER CA C 65 58.060 58.057 0.003 1
1 741 . 8 1 1 A 65 65 SER CB C 65 64.950 63.970 0.980 1
1 742 . 8 1 1 A 65 65 SER N N 65 117.966 118.797 -0.831 1
1 743 . 8 1 1 A 66 66 THR H H 66 8.512 8.589 -0.077 1
1 744 . 8 1 1 A 66 66 THR HA H 66 5.032 4.947 0.085 1
1 750 . 8 1 1 A 66 66 THR C C 66 177.300 176.092 1.208 1
1 751 . 8 1 1 A 66 66 THR CA C 66 60.200 60.153 0.047 1
1 752 . 8 1 1 A 66 66 THR CB C 66 71.550 71.426 0.124 1
1 754 . 8 1 1 A 66 66 THR N N 66 111.490 115.407 -3.917 1
1 755 . 8 1 1 A 67 67 LEU H H 67 8.451 8.584 -0.133 1
1 756 . 8 1 1 A 67 67 LEU HA H 67 3.753 3.913 -0.160 1
1 766 . 8 1 1 A 67 67 LEU C C 67 179.170 178.922 0.248 1
1 767 . 8 1 1 A 67 67 LEU CA C 67 59.234 58.242 0.992 1
1 768 . 8 1 1 A 67 67 LEU CB C 67 38.897 41.359 -2.462 1
1 772 . 8 1 1 A 67 67 LEU N N 67 122.302 123.509 -1.207 1
1 773 . 8 1 1 A 68 68 LYS H H 68 8.313 8.089 0.224 1
1 774 . 8 1 1 A 68 68 LYS HA H 68 4.090 3.884 0.206 1
1 783 . 8 1 1 A 68 68 LYS C C 68 180.950 178.927 2.023 1
1 784 . 8 1 1 A 68 68 LYS CA C 68 59.620 59.312 0.308 1
1 785 . 8 1 1 A 68 68 LYS CB C 68 32.490 32.051 0.439 1
1 789 . 8 1 1 A 68 68 LYS N N 68 120.066 120.533 -0.467 1
1 790 . 8 1 1 A 69 69 GLN H H 69 8.019 7.918 0.101 1
1 791 . 8 1 1 A 69 69 GLN HA H 69 4.086 4.095 -0.009 1
1 798 . 8 1 1 A 69 69 GLN C C 69 177.840 176.872 0.968 1
1 799 . 8 1 1 A 69 69 GLN CA C 69 58.260 58.955 -0.695 1
1 800 . 8 1 1 A 69 69 GLN CB C 69 28.580 28.774 -0.194 1
1 802 . 8 1 1 A 69 69 GLN N N 69 119.594 118.786 0.808 1
1 804 . 8 1 1 A 70 70 SER H H 70 7.544 7.637 -0.093 1
1 805 . 8 1 1 A 70 70 SER HA H 70 4.517 4.636 -0.119 1
1 808 . 8 1 1 A 70 70 SER C C 70 171.870 173.574 -1.704 1
1 809 . 8 1 1 A 70 70 SER CA C 70 58.920 57.653 1.267 1
1 810 . 8 1 1 A 70 70 SER CB C 70 64.446 63.034 1.412 1
1 811 . 8 1 1 A 70 70 SER N N 70 114.028 112.649 1.379 1
1 812 . 8 1 1 A 71 71 ASP H H 71 7.882 7.708 0.174 1
1 813 . 8 1 1 A 71 71 ASP HA H 71 4.278 4.288 -0.010 1
1 816 . 8 1 1 A 71 71 ASP C C 71 174.050 175.114 -1.064 1
1 817 . 8 1 1 A 71 71 ASP CA C 71 55.660 55.538 0.122 1
1 818 . 8 1 1 A 71 71 ASP CB C 71 39.540 39.365 0.175 1
1 819 . 8 1 1 A 71 71 ASP N N 71 116.055 118.325 -2.270 1
1 820 . 8 1 1 A 72 72 VAL H H 72 7.723 7.971 -0.248 1
1 821 . 8 1 1 A 72 72 VAL HA H 72 3.285 3.787 -0.502 1
1 829 . 8 1 1 A 72 72 VAL C C 72 173.980 175.150 -1.170 1
1 830 . 8 1 1 A 72 72 VAL CA C 72 62.744 61.843 0.901 1
1 831 . 8 1 1 A 72 72 VAL CB C 72 30.727 30.502 0.225 1
1 834 . 8 1 1 A 72 72 VAL N N 72 119.423 119.259 0.164 1
1 835 . 8 1 1 A 73 73 GLY H H 73 7.722 8.827 -1.105 1
1 836 . 8 1 1 A 73 73 GLY HA2 H 73 3.590 4.110 -0.520 1
1 837 . 8 1 1 A 73 73 GLY HA3 H 73 4.416 4.126 0.290 1
1 838 . 8 1 1 A 73 73 GLY C C 73 172.450 173.096 -0.646 1
1 839 . 8 1 1 A 73 73 GLY CA C 73 42.820 43.671 -0.851 1
1 840 . 8 1 1 A 73 73 GLY N N 73 114.445 115.406 -0.961 1
1 841 . 8 1 1 A 74 74 SER H H 74 8.552 8.457 0.095 1
1 842 . 8 1 1 A 74 74 SER HA H 74 4.365 4.358 0.007 1
1 845 . 8 1 1 A 74 74 SER C C 74 177.240 175.070 2.170 1
1 846 . 8 1 1 A 74 74 SER CA C 74 60.420 59.836 0.584 1
1 847 . 8 1 1 A 74 74 SER CB C 74 63.350 62.664 0.686 1
1 848 . 8 1 1 A 74 74 SER N N 74 111.883 113.156 -1.273 1
1 849 . 8 1 1 A 75 75 GLY H H 75 9.718 9.110 0.608 1
1 850 . 8 1 1 A 75 75 GLY HA2 H 75 3.693 3.983 -0.290 1
1 851 . 8 1 1 A 75 75 GLY HA3 H 75 4.328 3.983 0.345 1
1 852 . 8 1 1 A 75 75 GLY C C 75 174.500 174.874 -0.374 1
1 853 . 8 1 1 A 75 75 GLY CA C 75 44.990 45.233 -0.243 1
1 854 . 8 1 1 A 75 75 GLY N N 75 115.986 113.769 2.217 1
1 855 . 8 1 1 A 76 76 ALA H H 76 7.939 7.711 0.228 1
1 856 . 8 1 1 A 76 76 ALA HA H 76 4.363 4.407 -0.044 1
1 860 . 8 1 1 A 76 76 ALA C C 76 176.170 176.647 -0.477 1
1 861 . 8 1 1 A 76 76 ALA CA C 76 53.372 52.443 0.929 1
1 862 . 8 1 1 A 76 76 ALA CB C 76 21.400 19.825 1.575 1
1 863 . 8 1 1 A 76 76 ALA N N 76 123.830 123.930 -0.100 1
1 864 . 8 1 1 A 77 77 LYS H H 77 8.435 8.983 -0.548 1
1 865 . 8 1 1 A 77 77 LYS HA H 77 5.195 4.958 0.237 1
1 874 . 8 1 1 A 77 77 LYS C C 77 175.450 175.452 -0.002 1
1 875 . 8 1 1 A 77 77 LYS CA C 77 54.930 55.111 -0.181 1
1 876 . 8 1 1 A 77 77 LYS CB C 77 33.520 34.356 -0.836 1
1 880 . 8 1 1 A 77 77 LYS N N 77 120.636 121.909 -1.273 1
1 881 . 8 1 1 A 78 78 LEU H H 78 9.016 9.435 -0.419 1
1 882 . 8 1 1 A 78 78 LEU HA H 78 5.225 5.188 0.037 1
1 892 . 8 1 1 A 78 78 LEU C C 78 175.970 175.216 0.754 1
1 893 . 8 1 1 A 78 78 LEU CA C 78 53.700 53.620 0.080 1
1 894 . 8 1 1 A 78 78 LEU CB C 78 45.250 43.188 2.062 1
1 898 . 8 1 1 A 78 78 LEU N N 78 123.751 126.622 -2.871 1
1 899 . 8 1 1 A 79 79 MET H H 79 8.983 8.968 0.015 1
1 900 . 8 1 1 A 79 79 MET HA H 79 5.163 4.747 0.416 1
1 905 . 8 1 1 A 79 79 MET C C 79 173.970 175.148 -1.178 1
1 906 . 8 1 1 A 79 79 MET CA C 79 55.508 54.385 1.123 1
1 907 . 8 1 1 A 79 79 MET CB C 79 35.180 32.771 2.409 1
1 909 . 8 1 1 A 79 79 MET N N 79 120.990 125.335 -4.345 1
1 910 . 8 1 1 A 80 80 LEU H H 80 8.905 8.698 0.207 1
1 911 . 8 1 1 A 80 80 LEU HA H 80 5.235 4.826 0.409 1
1 921 . 8 1 1 A 80 80 LEU C C 80 174.730 175.355 -0.625 1
1 922 . 8 1 1 A 80 80 LEU CA C 80 54.071 53.885 0.186 1
1 923 . 8 1 1 A 80 80 LEU CB C 80 43.540 43.300 0.240 1
1 927 . 8 1 1 A 81 81 MET H H 81 9.229 8.973 0.256 1
1 928 . 8 1 1 A 81 81 MET HA H 81 4.960 4.674 0.286 1
1 936 . 8 1 1 A 81 81 MET C C 81 174.450 175.194 -0.744 1
1 937 . 8 1 1 A 81 81 MET CA C 81 53.830 54.802 -0.972 1
1 938 . 8 1 1 A 81 81 MET CB C 81 34.810 32.893 1.917 1
1 941 . 8 1 1 A 81 81 MET N N 81 125.712 127.605 -1.893 1
1 942 . 8 1 1 A 82 82 ALA H H 82 8.891 8.833 0.058 1
1 943 . 8 1 1 A 82 82 ALA HA H 82 5.043 5.174 -0.131 1
1 947 . 8 1 1 A 82 82 ALA C C 82 177.470 175.037 2.433 1
1 948 . 8 1 1 A 82 82 ALA CA C 82 51.010 50.367 0.643 1
1 949 . 8 1 1 A 82 82 ALA CB C 82 21.124 23.457 -2.333 1
1 950 . 8 1 1 A 82 82 ALA N N 82 126.315 129.115 -2.800 1
1 951 . 8 1 1 A 83 83 SER H H 83 8.719 8.875 -0.156 1
1 952 . 8 1 1 A 83 83 SER HA H 83 4.497 4.891 -0.394 1
1 955 . 8 1 1 A 83 83 SER C C 83 174.360 175.076 -0.716 1
1 956 . 8 1 1 A 83 83 SER CA C 83 58.534 56.422 2.112 1
1 957 . 8 1 1 A 83 83 SER CB C 83 64.140 64.595 -0.455 1
1 958 . 8 1 1 A 83 83 SER N N 83 117.987 116.368 1.619 1
1 959 . 8 1 1 A 84 84 GLN H H 84 8.629 9.188 -0.559 1
1 960 . 8 1 1 A 84 84 GLN HA H 84 4.449 4.108 0.341 1
1 967 . 8 1 1 A 84 84 GLN C C 84 175.370 176.186 -0.816 1
1 968 . 8 1 1 A 84 84 GLN CA C 84 55.890 57.658 -1.768 1
1 969 . 8 1 1 A 84 84 GLN CB C 84 29.860 29.742 0.118 1
1 971 . 8 1 1 A 84 84 GLN N N 84 122.746 125.835 -3.089 1
1 1 . 9 1 1 A 10 10 HIS HA H 10 4.506 4.766 -0.260 1
1 4 . 9 1 1 A 10 10 HIS C C 10 176.040 173.909 2.131 1
1 5 . 9 1 1 A 10 10 HIS CA C 10 55.850 54.634 1.216 1
1 6 . 9 1 1 A 10 10 HIS CB C 10 33.250 29.052 4.198 1
1 7 . 9 1 1 A 11 11 SER H H 11 8.462 8.628 -0.166 1
1 8 . 9 1 1 A 11 11 SER HA H 11 4.516 5.079 -0.563 1
1 10 . 9 1 1 A 11 11 SER C C 11 174.050 173.256 0.794 1
1 11 . 9 1 1 A 11 11 SER CA C 11 59.054 55.706 3.348 1
1 12 . 9 1 1 A 11 11 SER CB C 11 63.850 65.742 -1.892 1
1 13 . 9 1 1 A 11 11 SER N N 11 117.900 122.617 -4.717 1
1 14 . 9 1 1 A 12 12 THR H H 12 7.923 8.531 -0.608 1
1 15 . 9 1 1 A 12 12 THR HA H 12 4.581 5.288 -0.707 1
1 20 . 9 1 1 A 12 12 THR C C 12 174.140 173.707 0.433 1
1 21 . 9 1 1 A 12 12 THR CA C 12 61.245 60.286 0.959 1
1 22 . 9 1 1 A 12 12 THR CB C 12 71.940 71.017 0.923 1
1 24 . 9 1 1 A 12 12 THR N N 12 112.783 113.135 -0.352 1
1 25 . 9 1 1 A 13 13 ILE H H 13 9.201 8.751 0.450 1
1 26 . 9 1 1 A 13 13 ILE HA H 13 4.532 4.541 -0.009 1
1 36 . 9 1 1 A 13 13 ILE C C 13 173.930 175.602 -1.672 1
1 37 . 9 1 1 A 13 13 ILE CA C 13 59.720 60.236 -0.516 1
1 38 . 9 1 1 A 13 13 ILE CB C 13 41.597 38.755 2.842 1
1 42 . 9 1 1 A 13 13 ILE N N 13 117.602 122.449 -4.847 1
1 43 . 9 1 1 A 14 14 LYS H H 14 8.077 8.597 -0.520 1
1 44 . 9 1 1 A 14 14 LYS HA H 14 5.110 4.795 0.315 1
1 53 . 9 1 1 A 14 14 LYS C C 14 175.360 175.187 0.173 1
1 54 . 9 1 1 A 14 14 LYS CA C 14 55.200 55.667 -0.467 1
1 55 . 9 1 1 A 14 14 LYS CB C 14 33.130 32.381 0.749 1
1 59 . 9 1 1 A 14 14 LYS N N 14 122.699 125.618 -2.919 1
1 60 . 9 1 1 A 15 15 LEU H H 15 8.953 9.056 -0.103 1
1 61 . 9 1 1 A 15 15 LEU HA H 15 5.025 4.804 0.221 1
1 71 . 9 1 1 A 15 15 LEU C C 15 176.400 176.177 0.223 1
1 72 . 9 1 1 A 15 15 LEU CA C 15 53.620 53.678 -0.058 1
1 73 . 9 1 1 A 15 15 LEU CB C 15 45.380 43.663 1.717 1
1 77 . 9 1 1 A 15 15 LEU N N 15 121.650 126.237 -4.587 1
1 78 . 9 1 1 A 16 16 THR H H 16 8.412 8.849 -0.437 1
1 79 . 9 1 1 A 16 16 THR HA H 16 5.075 4.938 0.137 1
1 84 . 9 1 1 A 16 16 THR C C 16 173.070 173.823 -0.753 1
1 85 . 9 1 1 A 16 16 THR CA C 16 61.380 62.139 -0.759 1
1 86 . 9 1 1 A 16 16 THR CB C 16 71.700 69.190 2.510 1
1 88 . 9 1 1 A 16 16 THR N N 16 114.701 118.749 -4.048 1
1 89 . 9 1 1 A 17 17 VAL H H 17 9.083 9.026 0.057 1
1 90 . 9 1 1 A 17 17 VAL HA H 17 4.600 4.237 0.363 1
1 98 . 9 1 1 A 17 17 VAL C C 17 174.570 175.233 -0.663 1
1 99 . 9 1 1 A 17 17 VAL CA C 17 61.005 62.316 -1.311 1
1 100 . 9 1 1 A 17 17 VAL CB C 17 33.600 32.205 1.395 1
1 103 . 9 1 1 A 17 17 VAL N N 17 125.565 127.989 -2.424 1
1 104 . 9 1 1 A 18 18 LYS H H 18 9.183 9.021 0.162 1
1 105 . 9 1 1 A 18 18 LYS HA H 18 5.156 5.035 0.121 1
1 114 . 9 1 1 A 18 18 LYS C C 18 175.150 175.441 -0.291 1
1 115 . 9 1 1 A 18 18 LYS CA C 18 54.630 55.382 -0.752 1
1 116 . 9 1 1 A 18 18 LYS CB C 18 33.217 32.066 1.151 1
1 120 . 9 1 1 A 18 18 LYS N N 18 129.200 127.798 1.402 1
1 121 . 9 1 1 A 19 19 PHE H H 19 8.927 9.005 -0.078 1
1 122 . 9 1 1 A 19 19 PHE HA H 19 5.377 4.781 0.596 1
1 129 . 9 1 1 A 19 19 PHE C C 19 175.850 175.823 0.027 1
1 130 . 9 1 1 A 19 19 PHE CA C 19 55.330 56.618 -1.288 1
1 131 . 9 1 1 A 19 19 PHE CB C 19 41.690 37.460 4.230 1
1 136 . 9 1 1 A 19 19 PHE N N 19 126.659 125.499 1.160 1
1 139 . 9 1 1 A 20 20 GLY H H 20 9.275 8.588 0.687 1
1 140 . 9 1 1 A 20 20 GLY HA2 H 20 3.580 3.882 -0.302 1
1 141 . 9 1 1 A 20 20 GLY HA3 H 20 3.578 3.912 -0.334 1
1 142 . 9 1 1 A 20 20 GLY C C 20 175.090 174.947 0.143 1
1 143 . 9 1 1 A 20 20 GLY CA C 20 47.070 47.321 -0.251 1
1 144 . 9 1 1 A 20 20 GLY N N 20 119.629 114.876 4.753 1
1 145 . 9 1 1 A 21 21 GLY H H 21 8.819 8.661 0.158 1
1 146 . 9 1 1 A 21 21 GLY HA2 H 21 3.942 4.051 -0.109 1
1 147 . 9 1 1 A 21 21 GLY HA3 H 21 3.942 4.052 -0.110 1
1 148 . 9 1 1 A 21 21 GLY C C 21 173.890 173.774 0.116 1
1 149 . 9 1 1 A 21 21 GLY CA C 21 45.290 45.064 0.226 1
1 150 . 9 1 1 A 21 21 GLY N N 21 111.500 112.099 -0.599 1
1 151 . 9 1 1 A 22 22 LYS H H 22 7.975 7.705 0.270 1
1 152 . 9 1 1 A 22 22 LYS HA H 22 4.616 4.579 0.037 1
1 161 . 9 1 1 A 22 22 LYS C C 22 175.450 175.560 -0.110 1
1 162 . 9 1 1 A 22 22 LYS CA C 22 55.514 55.353 0.161 1
1 163 . 9 1 1 A 22 22 LYS CB C 22 34.790 33.691 1.099 1
1 167 . 9 1 1 A 22 22 LYS N N 22 121.832 120.622 1.210 1
1 168 . 9 1 1 A 23 23 SER H H 23 8.722 8.942 -0.220 1
1 169 . 9 1 1 A 23 23 SER HA H 23 4.841 5.069 -0.228 1
1 172 . 9 1 1 A 23 23 SER C C 23 173.910 172.798 1.112 1
1 173 . 9 1 1 A 23 23 SER CA C 23 58.344 56.981 1.363 1
1 174 . 9 1 1 A 23 23 SER CB C 23 64.237 63.669 0.568 1
1 175 . 9 1 1 A 23 23 SER N N 23 119.004 118.951 0.053 1
1 176 . 9 1 1 A 24 24 ILE H H 24 9.444 9.033 0.411 1
1 177 . 9 1 1 A 24 24 ILE HA H 24 4.502 4.671 -0.169 1
1 187 . 9 1 1 A 24 24 ILE C C 24 173.590 175.011 -1.421 1
1 188 . 9 1 1 A 24 24 ILE CA C 24 59.145 58.261 0.884 1
1 189 . 9 1 1 A 24 24 ILE CB C 24 40.620 38.510 2.110 1
1 193 . 9 1 1 A 24 24 ILE N N 24 129.205 127.243 1.962 1
1 194 . 9 1 1 A 25 25 PRO HA H 25 5.179 5.044 0.135 1
1 201 . 9 1 1 A 25 25 PRO C C 25 176.750 175.894 0.856 1
1 202 . 9 1 1 A 25 25 PRO CA C 25 61.740 61.875 -0.135 1
1 203 . 9 1 1 A 25 25 PRO CB C 25 32.010 31.483 0.527 1
1 206 . 9 1 1 A 26 26 LEU H H 26 8.720 9.128 -0.408 1
1 207 . 9 1 1 A 26 26 LEU HA H 26 4.731 4.927 -0.196 1
1 217 . 9 1 1 A 26 26 LEU C C 26 175.450 175.756 -0.306 1
1 218 . 9 1 1 A 26 26 LEU CA C 26 54.731 53.239 1.492 1
1 219 . 9 1 1 A 26 26 LEU CB C 26 47.766 45.373 2.393 1
1 223 . 9 1 1 A 26 26 LEU N N 26 122.986 125.147 -2.161 1
1 224 . 9 1 1 A 27 27 SER H H 27 8.404 8.978 -0.574 1
1 225 . 9 1 1 A 27 27 SER HA H 27 5.504 5.028 0.476 1
1 228 . 9 1 1 A 27 27 SER C C 27 174.498 173.938 0.560 1
1 229 . 9 1 1 A 27 27 SER CA C 27 57.000 58.056 -1.056 1
1 230 . 9 1 1 A 27 27 SER CB C 27 63.850 62.700 1.150 1
1 231 . 9 1 1 A 27 27 SER N N 27 118.151 122.342 -4.191 1
1 232 . 9 1 1 A 28 28 VAL H H 28 8.743 8.659 0.084 1
1 233 . 9 1 1 A 28 28 VAL HA H 28 4.792 4.929 -0.137 1
1 241 . 9 1 1 A 28 28 VAL C C 28 174.250 175.437 -1.187 1
1 242 . 9 1 1 A 28 28 VAL CA C 28 58.792 59.451 -0.659 1
1 243 . 9 1 1 A 28 28 VAL CB C 28 36.600 34.528 2.072 1
1 246 . 9 1 1 A 28 28 VAL N N 28 118.097 120.025 -1.928 1
1 247 . 9 1 1 A 29 29 SER H H 29 8.694 8.653 0.041 1
1 248 . 9 1 1 A 29 29 SER HA H 29 4.960 4.585 0.375 1
1 251 . 9 1 1 A 29 29 SER C C 29 175.159 174.502 0.657 1
1 252 . 9 1 1 A 29 29 SER CA C 29 55.925 57.058 -1.133 1
1 253 . 9 1 1 A 29 29 SER CB C 29 64.080 62.819 1.261 1
1 254 . 9 1 1 A 29 29 SER N N 29 116.965 118.305 -1.340 1
1 255 . 9 1 1 A 30 30 PRO HA H 30 4.277 4.321 -0.044 1
1 262 . 9 1 1 A 30 30 PRO C C 30 175.705 177.682 -1.977 1
1 263 . 9 1 1 A 30 30 PRO CA C 30 64.825 64.831 -0.006 1
1 264 . 9 1 1 A 30 30 PRO CB C 30 32.074 31.952 0.122 1
1 267 . 9 1 1 A 31 31 ASP H H 31 7.818 8.494 -0.676 1
1 268 . 9 1 1 A 31 31 ASP HA H 31 4.725 4.663 0.062 1
1 271 . 9 1 1 A 31 31 ASP C C 31 175.040 176.147 -1.107 1
1 272 . 9 1 1 A 31 31 ASP CA C 31 54.160 54.250 -0.090 1
1 273 . 9 1 1 A 31 31 ASP CB C 31 41.590 41.028 0.562 1
1 274 . 9 1 1 A 31 31 ASP N N 31 114.503 117.041 -2.538 1
1 275 . 9 1 1 A 32 32 CYS H H 32 7.657 7.610 0.047 1
1 276 . 9 1 1 A 32 32 CYS HA H 32 4.483 4.686 -0.203 1
1 279 . 9 1 1 A 32 32 CYS C C 32 174.805 174.887 -0.082 1
1 280 . 9 1 1 A 32 32 CYS CA C 32 59.510 58.816 0.694 1
1 281 . 9 1 1 A 32 32 CYS CB C 32 28.010 28.946 -0.936 1
1 282 . 9 1 1 A 32 32 CYS N N 32 119.852 119.408 0.444 1
1 283 . 9 1 1 A 33 33 THR H H 33 8.992 8.792 0.200 1
1 284 . 9 1 1 A 33 33 THR HA H 33 4.861 4.885 -0.024 1
1 289 . 9 1 1 A 33 33 THR C C 33 176.350 176.292 0.058 1
1 290 . 9 1 1 A 33 33 THR CA C 33 61.165 60.307 0.858 1
1 291 . 9 1 1 A 33 33 THR CB C 33 71.968 71.483 0.485 1
1 293 . 9 1 1 A 33 33 THR N N 33 115.278 113.779 1.499 1
1 294 . 9 1 1 A 34 34 VAL H H 34 8.558 8.279 0.279 1
1 295 . 9 1 1 A 34 34 VAL HA H 34 3.384 3.857 -0.473 1
1 303 . 9 1 1 A 34 34 VAL C C 34 177.880 177.731 0.149 1
1 304 . 9 1 1 A 34 34 VAL CA C 34 67.050 65.507 1.543 1
1 305 . 9 1 1 A 34 34 VAL CB C 34 31.303 31.416 -0.113 1
1 308 . 9 1 1 A 34 34 VAL N N 34 123.274 119.058 4.216 1
1 309 . 9 1 1 A 35 35 LYS H H 35 8.316 8.052 0.264 1
1 310 . 9 1 1 A 35 35 LYS HA H 35 3.758 3.904 -0.146 1
1 319 . 9 1 1 A 35 35 LYS C C 35 178.180 178.154 0.026 1
1 320 . 9 1 1 A 35 35 LYS CA C 35 60.812 59.063 1.749 1
1 321 . 9 1 1 A 35 35 LYS CB C 35 32.610 32.027 0.583 1
1 325 . 9 1 1 A 35 35 LYS N N 35 119.813 120.804 -0.991 1
1 326 . 9 1 1 A 36 36 ASP H H 36 7.959 8.352 -0.393 1
1 327 . 9 1 1 A 36 36 ASP HA H 36 4.414 4.315 0.099 1
1 330 . 9 1 1 A 36 36 ASP C C 36 179.395 178.577 0.818 1
1 331 . 9 1 1 A 36 36 ASP CA C 36 57.360 57.843 -0.483 1
1 332 . 9 1 1 A 36 36 ASP CB C 36 40.350 41.550 -1.200 1
1 333 . 9 1 1 A 36 36 ASP N N 36 120.728 119.500 1.228 1
1 334 . 9 1 1 A 37 37 LEU H H 37 8.147 8.262 -0.115 1
1 335 . 9 1 1 A 37 37 LEU HA H 37 3.976 3.960 0.016 1
1 345 . 9 1 1 A 37 37 LEU C C 37 178.630 179.039 -0.409 1
1 346 . 9 1 1 A 37 37 LEU CA C 37 58.210 58.009 0.201 1
1 347 . 9 1 1 A 37 37 LEU CB C 37 41.470 41.782 -0.312 1
1 351 . 9 1 1 A 37 37 LEU N N 37 123.841 120.011 3.830 1
1 352 . 9 1 1 A 38 38 LYS H H 38 8.308 8.249 0.059 1
1 353 . 9 1 1 A 38 38 LYS HA H 38 4.505 3.927 0.578 1
1 362 . 9 1 1 A 38 38 LYS C C 38 180.780 179.576 1.204 1
1 363 . 9 1 1 A 38 38 LYS CA C 38 59.910 59.364 0.546 1
1 364 . 9 1 1 A 38 38 LYS CB C 38 34.270 31.896 2.374 1
1 368 . 9 1 1 A 38 38 LYS N N 38 117.736 117.956 -0.220 1
1 369 . 9 1 1 A 39 39 SER H H 39 7.952 7.992 -0.040 1
1 370 . 9 1 1 A 39 39 SER HA H 39 4.230 4.234 -0.004 1
1 373 . 9 1 1 A 39 39 SER C C 39 177.240 176.671 0.569 1
1 374 . 9 1 1 A 39 39 SER CA C 39 62.440 61.609 0.831 1
1 375 . 9 1 1 A 39 39 SER CB C 39 62.670 62.965 -0.295 1
1 376 . 9 1 1 A 39 39 SER N N 39 115.100 116.264 -1.164 1
1 377 . 9 1 1 A 40 40 GLN H H 40 7.899 7.112 0.787 1
1 378 . 9 1 1 A 40 40 GLN HA H 40 4.125 4.226 -0.101 1
1 385 . 9 1 1 A 40 40 GLN C C 40 178.330 179.156 -0.826 1
1 386 . 9 1 1 A 40 40 GLN CA C 40 59.045 58.515 0.530 1
1 387 . 9 1 1 A 40 40 GLN CB C 40 28.893 28.570 0.323 1
1 389 . 9 1 1 A 40 40 GLN N N 40 121.600 121.577 0.023 1
1 391 . 9 1 1 A 41 41 LEU H H 41 8.010 8.707 -0.697 1
1 392 . 9 1 1 A 41 41 LEU HA H 41 4.130 4.080 0.050 1
1 402 . 9 1 1 A 41 41 LEU C C 41 179.980 178.777 1.203 1
1 403 . 9 1 1 A 41 41 LEU CA C 41 56.472 57.846 -1.374 1
1 404 . 9 1 1 A 41 41 LEU CB C 41 42.660 41.474 1.186 1
1 408 . 9 1 1 A 41 41 LEU N N 41 116.657 119.936 -3.279 1
1 409 . 9 1 1 A 42 42 GLN H H 42 7.903 8.300 -0.397 1
1 410 . 9 1 1 A 42 42 GLN HA H 42 4.180 4.119 0.061 1
1 417 . 9 1 1 A 42 42 GLN C C 42 174.350 174.471 -0.121 1
1 418 . 9 1 1 A 42 42 GLN CA C 42 61.300 61.069 0.231 1
1 419 . 9 1 1 A 42 42 GLN CB C 42 25.250 26.293 -1.043 1
1 421 . 9 1 1 A 42 42 GLN N N 42 125.104 119.951 5.153 1
1 423 . 9 1 1 A 43 43 PRO HA H 43 4.410 4.411 -0.001 1
1 430 . 9 1 1 A 43 43 PRO C C 43 177.270 178.051 -0.781 1
1 431 . 9 1 1 A 43 43 PRO CA C 43 65.130 65.015 0.115 1
1 432 . 9 1 1 A 43 43 PRO CB C 43 31.208 31.380 -0.172 1
1 435 . 9 1 1 A 44 44 ILE H H 44 6.568 7.747 -1.179 1
1 436 . 9 1 1 A 44 44 ILE HA H 44 3.959 4.009 -0.050 1
1 446 . 9 1 1 A 44 44 ILE C C 44 177.060 177.748 -0.688 1
1 447 . 9 1 1 A 44 44 ILE CA C 44 63.670 63.084 0.586 1
1 448 . 9 1 1 A 44 44 ILE CB C 44 40.270 38.899 1.371 1
1 452 . 9 1 1 A 44 44 ILE N N 44 114.765 116.665 -1.900 1
1 453 . 9 1 1 A 45 45 THR H H 45 7.826 7.904 -0.078 1
1 454 . 9 1 1 A 45 45 THR HA H 45 4.202 4.218 -0.016 1
1 459 . 9 1 1 A 45 45 THR C C 45 174.990 175.250 -0.260 1
1 460 . 9 1 1 A 45 45 THR CA C 45 62.696 61.249 1.447 1
1 461 . 9 1 1 A 45 45 THR CB C 45 71.682 69.534 2.148 1
1 463 . 9 1 1 A 45 45 THR N N 45 107.323 109.001 -1.678 1
1 464 . 9 1 1 A 46 46 ASN H H 46 8.660 8.239 0.421 1
1 465 . 9 1 1 A 46 46 ASN HA H 46 4.381 4.366 0.015 1
1 470 . 9 1 1 A 46 46 ASN C C 46 173.900 173.238 0.662 1
1 471 . 9 1 1 A 46 46 ASN CA C 46 54.890 54.460 0.430 1
1 472 . 9 1 1 A 46 46 ASN CB C 46 38.207 37.505 0.702 1
1 473 . 9 1 1 A 46 46 ASN N N 46 117.586 116.549 1.037 1
1 475 . 9 1 1 A 47 47 VAL H H 47 7.517 7.809 -0.292 1
1 476 . 9 1 1 A 47 47 VAL HA H 47 4.134 4.436 -0.302 1
1 484 . 9 1 1 A 47 47 VAL C C 47 176.140 175.038 1.102 1
1 485 . 9 1 1 A 47 47 VAL CA C 47 61.763 60.420 1.343 1
1 486 . 9 1 1 A 47 47 VAL CB C 47 32.925 33.547 -0.622 1
1 489 . 9 1 1 A 47 47 VAL N N 47 119.901 118.939 0.962 1
1 490 . 9 1 1 A 48 48 LEU H H 48 8.650 8.500 0.150 1
1 491 . 9 1 1 A 48 48 LEU HA H 48 4.194 4.285 -0.091 1
1 501 . 9 1 1 A 48 48 LEU C C 48 177.110 177.265 -0.155 1
1 502 . 9 1 1 A 48 48 LEU CA C 48 54.491 54.090 0.401 1
1 503 . 9 1 1 A 48 48 LEU CB C 48 41.171 41.538 -0.367 1
1 507 . 9 1 1 A 48 48 LEU N N 48 128.467 126.760 1.707 1
1 508 . 9 1 1 A 49 49 PRO HA H 49 3.923 4.497 -0.574 1
1 515 . 9 1 1 A 49 49 PRO C C 49 178.430 178.069 0.361 1
1 516 . 9 1 1 A 49 49 PRO CA C 49 67.000 64.638 2.362 1
1 517 . 9 1 1 A 49 49 PRO CB C 49 32.456 32.005 0.451 1
1 520 . 9 1 1 A 50 50 ARG H H 50 8.331 8.149 0.182 1
1 521 . 9 1 1 A 50 50 ARG HA H 50 4.239 4.087 0.152 1
1 528 . 9 1 1 A 50 50 ARG C C 50 176.940 178.594 -1.654 1
1 529 . 9 1 1 A 50 50 ARG CA C 50 58.130 59.195 -1.065 1
1 530 . 9 1 1 A 50 50 ARG CB C 50 29.200 29.682 -0.482 1
1 533 . 9 1 1 A 50 50 ARG N N 50 114.500 118.637 -4.137 1
1 534 . 9 1 1 A 51 51 GLY H H 51 8.199 8.034 0.165 1
1 535 . 9 1 1 A 51 51 GLY HA2 H 51 3.605 3.976 -0.371 1
1 536 . 9 1 1 A 51 51 GLY HA3 H 51 4.335 3.984 0.351 1
1 537 . 9 1 1 A 51 51 GLY C C 51 173.340 174.505 -1.165 1
1 538 . 9 1 1 A 51 51 GLY CA C 51 44.750 45.670 -0.920 1
1 539 . 9 1 1 A 51 51 GLY N N 51 107.942 107.219 0.723 1
1 540 . 9 1 1 A 52 52 GLN H H 52 7.475 7.312 0.163 1
1 541 . 9 1 1 A 52 52 GLN HA H 52 4.315 4.338 -0.023 1
1 548 . 9 1 1 A 52 52 GLN C C 52 175.770 175.114 0.656 1
1 549 . 9 1 1 A 52 52 GLN CA C 52 56.023 55.180 0.843 1
1 550 . 9 1 1 A 52 52 GLN CB C 52 31.494 28.485 3.009 1
1 552 . 9 1 1 A 52 52 GLN N N 52 119.769 119.603 0.166 1
1 554 . 9 1 1 A 53 53 LYS H H 53 8.586 8.904 -0.318 1
1 555 . 9 1 1 A 53 53 LYS HA H 53 4.500 4.575 -0.075 1
1 564 . 9 1 1 A 53 53 LYS C C 53 174.080 175.390 -1.310 1
1 565 . 9 1 1 A 53 53 LYS CA C 53 55.950 55.346 0.604 1
1 566 . 9 1 1 A 53 53 LYS CB C 53 34.690 32.012 2.678 1
1 570 . 9 1 1 A 53 53 LYS N N 53 123.759 125.232 -1.473 1
1 571 . 9 1 1 A 54 54 LEU H H 54 8.900 8.581 0.319 1
1 572 . 9 1 1 A 54 54 LEU HA H 54 5.271 4.476 0.795 1
1 582 . 9 1 1 A 54 54 LEU C C 54 174.940 176.084 -1.144 1
1 583 . 9 1 1 A 54 54 LEU CA C 54 53.250 54.803 -1.553 1
1 584 . 9 1 1 A 54 54 LEU CB C 54 45.042 41.306 3.736 1
1 588 . 9 1 1 A 54 54 LEU N N 54 126.200 126.026 0.174 1
1 589 . 9 1 1 A 55 55 ILE H H 55 9.330 8.727 0.603 1
1 590 . 9 1 1 A 55 55 ILE HA H 55 4.886 5.233 -0.347 1
1 600 . 9 1 1 A 55 55 ILE C C 55 175.623 175.207 0.416 1
1 601 . 9 1 1 A 55 55 ILE CA C 55 59.402 59.679 -0.277 1
1 602 . 9 1 1 A 55 55 ILE CB C 55 40.270 40.740 -0.470 1
1 606 . 9 1 1 A 55 55 ILE N N 55 123.589 125.122 -1.533 1
1 607 . 9 1 1 A 56 56 PHE H H 56 9.241 9.261 -0.020 1
1 608 . 9 1 1 A 56 56 PHE HA H 56 5.212 4.926 0.286 1
1 615 . 9 1 1 A 56 56 PHE C C 56 174.600 174.808 -0.208 1
1 616 . 9 1 1 A 56 56 PHE CA C 56 55.936 57.395 -1.459 1
1 617 . 9 1 1 A 56 56 PHE CB C 56 42.830 42.586 0.244 1
1 622 . 9 1 1 A 56 56 PHE N N 56 127.423 126.787 0.636 1
1 625 . 9 1 1 A 57 57 LYS H H 57 9.307 9.088 0.219 1
1 626 . 9 1 1 A 57 57 LYS HA H 57 3.630 3.624 0.006 1
1 635 . 9 1 1 A 57 57 LYS C C 57 176.620 176.532 0.088 1
1 636 . 9 1 1 A 57 57 LYS CA C 57 57.495 57.168 0.327 1
1 637 . 9 1 1 A 57 57 LYS CB C 57 30.100 30.176 -0.076 1
1 641 . 9 1 1 A 57 57 LYS N N 57 128.612 127.587 1.025 1
1 642 . 9 1 1 A 58 58 GLY H H 58 8.288 8.503 -0.215 1
1 643 . 9 1 1 A 58 58 GLY HA2 H 58 3.487 3.822 -0.335 1
1 644 . 9 1 1 A 58 58 GLY HA3 H 58 4.098 3.836 0.262 1
1 645 . 9 1 1 A 58 58 GLY C C 58 173.568 173.522 0.046 1
1 646 . 9 1 1 A 58 58 GLY CA C 58 45.475 45.330 0.145 1
1 647 . 9 1 1 A 58 58 GLY N N 58 102.757 105.446 -2.689 1
1 648 . 9 1 1 A 59 59 LYS H H 59 7.900 7.916 -0.016 1
1 649 . 9 1 1 A 59 59 LYS HA H 59 4.667 4.635 0.032 1
1 658 . 9 1 1 A 59 59 LYS C C 59 174.830 175.521 -0.691 1
1 659 . 9 1 1 A 59 59 LYS CA C 59 55.222 54.713 0.509 1
1 660 . 9 1 1 A 59 59 LYS CB C 59 35.010 34.701 0.309 1
1 664 . 9 1 1 A 59 59 LYS N N 59 121.753 121.534 0.219 1
1 665 . 9 1 1 A 60 60 VAL H H 60 8.587 8.508 0.079 1
1 666 . 9 1 1 A 60 60 VAL HA H 60 4.209 4.554 -0.345 1
1 674 . 9 1 1 A 60 60 VAL C C 60 177.380 175.915 1.465 1
1 675 . 9 1 1 A 60 60 VAL CA C 60 63.080 61.658 1.422 1
1 676 . 9 1 1 A 60 60 VAL CB C 60 32.101 32.616 -0.515 1
1 679 . 9 1 1 A 60 60 VAL N N 60 123.795 126.182 -2.387 1
1 680 . 9 1 1 A 61 61 LEU H H 61 8.876 8.549 0.327 1
1 681 . 9 1 1 A 61 61 LEU HA H 61 4.430 4.349 0.081 1
1 691 . 9 1 1 A 61 61 LEU C C 61 176.660 177.299 -0.639 1
1 692 . 9 1 1 A 61 61 LEU CA C 61 54.760 54.912 -0.152 1
1 693 . 9 1 1 A 61 61 LEU CB C 61 43.060 42.457 0.603 1
1 697 . 9 1 1 A 61 61 LEU N N 61 129.083 130.726 -1.643 1
1 698 . 9 1 1 A 62 62 VAL H H 62 8.759 8.782 -0.023 1
1 699 . 9 1 1 A 62 62 VAL HA H 62 3.989 4.107 -0.118 1
1 707 . 9 1 1 A 62 62 VAL C C 62 178.390 175.827 2.563 1
1 708 . 9 1 1 A 62 62 VAL CA C 62 63.077 62.675 0.402 1
1 709 . 9 1 1 A 62 62 VAL CB C 62 32.440 32.139 0.301 1
1 712 . 9 1 1 A 62 62 VAL N N 62 124.193 123.022 1.171 1
1 713 . 9 1 1 A 63 63 GLU H H 63 8.806 9.010 -0.204 1
1 714 . 9 1 1 A 63 63 GLU HA H 63 3.757 4.088 -0.331 1
1 719 . 9 1 1 A 63 63 GLU C C 63 176.500 178.038 -1.538 1
1 720 . 9 1 1 A 63 63 GLU CA C 63 60.509 59.637 0.872 1
1 721 . 9 1 1 A 63 63 GLU CB C 63 30.580 29.167 1.413 1
1 723 . 9 1 1 A 63 63 GLU N N 63 125.296 126.281 -0.985 1
1 724 . 9 1 1 A 64 64 THR H H 64 7.100 7.588 -0.488 1
1 725 . 9 1 1 A 64 64 THR HA H 64 4.279 4.257 0.022 1
1 730 . 9 1 1 A 64 64 THR C C 64 175.290 174.872 0.418 1
1 731 . 9 1 1 A 64 64 THR CA C 64 61.466 62.812 -1.346 1
1 732 . 9 1 1 A 64 64 THR CB C 64 68.840 69.291 -0.451 1
1 734 . 9 1 1 A 64 64 THR N N 64 102.822 110.981 -8.159 1
1 735 . 9 1 1 A 65 65 SER H H 65 7.749 7.792 -0.043 1
1 736 . 9 1 1 A 65 65 SER HA H 65 4.676 4.876 -0.200 1
1 739 . 9 1 1 A 65 65 SER C C 65 174.300 174.089 0.211 1
1 740 . 9 1 1 A 65 65 SER CA C 65 58.060 57.638 0.422 1
1 741 . 9 1 1 A 65 65 SER CB C 65 64.950 64.482 0.468 1
1 742 . 9 1 1 A 65 65 SER N N 65 117.966 118.460 -0.494 1
1 743 . 9 1 1 A 66 66 THR H H 66 8.512 8.735 -0.223 1
1 744 . 9 1 1 A 66 66 THR HA H 66 5.032 4.898 0.134 1
1 750 . 9 1 1 A 66 66 THR C C 66 177.300 176.303 0.997 1
1 751 . 9 1 1 A 66 66 THR CA C 66 60.200 60.494 -0.294 1
1 752 . 9 1 1 A 66 66 THR CB C 66 71.550 71.394 0.156 1
1 754 . 9 1 1 A 66 66 THR N N 66 111.490 115.524 -4.034 1
1 755 . 9 1 1 A 67 67 LEU H H 67 8.451 8.722 -0.271 1
1 756 . 9 1 1 A 67 67 LEU HA H 67 3.753 3.888 -0.135 1
1 766 . 9 1 1 A 67 67 LEU C C 67 179.170 178.986 0.184 1
1 767 . 9 1 1 A 67 67 LEU CA C 67 59.234 58.221 1.013 1
1 768 . 9 1 1 A 67 67 LEU CB C 67 38.897 41.472 -2.575 1
1 772 . 9 1 1 A 67 67 LEU N N 67 122.302 123.006 -0.704 1
1 773 . 9 1 1 A 68 68 LYS H H 68 8.313 8.058 0.255 1
1 774 . 9 1 1 A 68 68 LYS HA H 68 4.090 3.900 0.190 1
1 783 . 9 1 1 A 68 68 LYS C C 68 180.950 179.337 1.613 1
1 784 . 9 1 1 A 68 68 LYS CA C 68 59.620 59.034 0.586 1
1 785 . 9 1 1 A 68 68 LYS CB C 68 32.490 32.052 0.438 1
1 789 . 9 1 1 A 68 68 LYS N N 68 120.066 120.899 -0.833 1
1 790 . 9 1 1 A 69 69 GLN H H 69 8.019 8.057 -0.038 1
1 791 . 9 1 1 A 69 69 GLN HA H 69 4.086 4.091 -0.005 1
1 798 . 9 1 1 A 69 69 GLN C C 69 177.840 177.236 0.604 1
1 799 . 9 1 1 A 69 69 GLN CA C 69 58.260 58.393 -0.133 1
1 800 . 9 1 1 A 69 69 GLN CB C 69 28.580 28.685 -0.105 1
1 802 . 9 1 1 A 69 69 GLN N N 69 119.594 119.327 0.267 1
1 804 . 9 1 1 A 70 70 SER H H 70 7.544 7.254 0.290 1
1 805 . 9 1 1 A 70 70 SER HA H 70 4.517 4.580 -0.063 1
1 808 . 9 1 1 A 70 70 SER C C 70 171.870 172.979 -1.109 1
1 809 . 9 1 1 A 70 70 SER CA C 70 58.920 58.216 0.704 1
1 810 . 9 1 1 A 70 70 SER CB C 70 64.446 63.315 1.131 1
1 811 . 9 1 1 A 70 70 SER N N 70 114.028 111.578 2.450 1
1 812 . 9 1 1 A 71 71 ASP H H 71 7.882 8.192 -0.310 1
1 813 . 9 1 1 A 71 71 ASP HA H 71 4.278 4.265 0.013 1
1 816 . 9 1 1 A 71 71 ASP C C 71 174.050 175.444 -1.394 1
1 817 . 9 1 1 A 71 71 ASP CA C 71 55.660 55.480 0.180 1
1 818 . 9 1 1 A 71 71 ASP CB C 71 39.540 39.990 -0.450 1
1 819 . 9 1 1 A 71 71 ASP N N 71 116.055 118.085 -2.030 1
1 820 . 9 1 1 A 72 72 VAL H H 72 7.723 7.872 -0.149 1
1 821 . 9 1 1 A 72 72 VAL HA H 72 3.285 3.921 -0.636 1
1 829 . 9 1 1 A 72 72 VAL C C 72 173.980 175.537 -1.557 1
1 830 . 9 1 1 A 72 72 VAL CA C 72 62.744 62.347 0.397 1
1 831 . 9 1 1 A 72 72 VAL CB C 72 30.727 31.475 -0.748 1
1 834 . 9 1 1 A 72 72 VAL N N 72 119.423 119.494 -0.071 1
1 835 . 9 1 1 A 73 73 GLY H H 73 7.722 8.835 -1.113 1
1 836 . 9 1 1 A 73 73 GLY HA2 H 73 3.590 4.110 -0.520 1
1 837 . 9 1 1 A 73 73 GLY HA3 H 73 4.416 4.123 0.293 1
1 838 . 9 1 1 A 73 73 GLY C C 73 172.450 172.345 0.105 1
1 839 . 9 1 1 A 73 73 GLY CA C 73 42.820 43.823 -1.003 1
1 840 . 9 1 1 A 73 73 GLY N N 73 114.445 115.839 -1.394 1
1 841 . 9 1 1 A 74 74 SER H H 74 8.552 8.557 -0.005 1
1 842 . 9 1 1 A 74 74 SER HA H 74 4.365 4.200 0.165 1
1 845 . 9 1 1 A 74 74 SER C C 74 177.240 175.289 1.951 1
1 846 . 9 1 1 A 74 74 SER CA C 74 60.420 59.612 0.808 1
1 847 . 9 1 1 A 74 74 SER CB C 74 63.350 62.719 0.631 1
1 848 . 9 1 1 A 74 74 SER N N 74 111.883 115.252 -3.369 1
1 849 . 9 1 1 A 75 75 GLY H H 75 9.718 9.138 0.580 1
1 850 . 9 1 1 A 75 75 GLY HA2 H 75 3.693 3.963 -0.270 1
1 851 . 9 1 1 A 75 75 GLY HA3 H 75 4.328 3.968 0.360 1
1 852 . 9 1 1 A 75 75 GLY C C 75 174.500 174.601 -0.101 1
1 853 . 9 1 1 A 75 75 GLY CA C 75 44.990 45.282 -0.292 1
1 854 . 9 1 1 A 75 75 GLY N N 75 115.986 114.685 1.301 1
1 855 . 9 1 1 A 76 76 ALA H H 76 7.939 7.900 0.039 1
1 856 . 9 1 1 A 76 76 ALA HA H 76 4.363 4.329 0.034 1
1 860 . 9 1 1 A 76 76 ALA C C 76 176.170 176.867 -0.697 1
1 861 . 9 1 1 A 76 76 ALA CA C 76 53.372 51.527 1.845 1
1 862 . 9 1 1 A 76 76 ALA CB C 76 21.400 19.672 1.728 1
1 863 . 9 1 1 A 76 76 ALA N N 76 123.830 123.762 0.068 1
1 864 . 9 1 1 A 77 77 LYS H H 77 8.435 8.837 -0.402 1
1 865 . 9 1 1 A 77 77 LYS HA H 77 5.195 4.738 0.457 1
1 874 . 9 1 1 A 77 77 LYS C C 77 175.450 175.223 0.227 1
1 875 . 9 1 1 A 77 77 LYS CA C 77 54.930 55.799 -0.869 1
1 876 . 9 1 1 A 77 77 LYS CB C 77 33.520 32.778 0.742 1
1 880 . 9 1 1 A 77 77 LYS N N 77 120.636 123.933 -3.297 1
1 881 . 9 1 1 A 78 78 LEU H H 78 9.016 9.030 -0.014 1
1 882 . 9 1 1 A 78 78 LEU HA H 78 5.225 4.669 0.556 1
1 892 . 9 1 1 A 78 78 LEU C C 78 175.970 175.999 -0.029 1
1 893 . 9 1 1 A 78 78 LEU CA C 78 53.700 54.382 -0.682 1
1 894 . 9 1 1 A 78 78 LEU CB C 78 45.250 42.558 2.692 1
1 898 . 9 1 1 A 78 78 LEU N N 78 123.751 126.912 -3.161 1
1 899 . 9 1 1 A 79 79 MET H H 79 8.983 8.905 0.078 1
1 900 . 9 1 1 A 79 79 MET HA H 79 5.163 4.796 0.367 1
1 905 . 9 1 1 A 79 79 MET C C 79 173.970 174.912 -0.942 1
1 906 . 9 1 1 A 79 79 MET CA C 79 55.508 54.221 1.287 1
1 907 . 9 1 1 A 79 79 MET CB C 79 35.180 33.506 1.674 1
1 909 . 9 1 1 A 79 79 MET N N 79 120.990 124.784 -3.794 1
1 910 . 9 1 1 A 80 80 LEU H H 80 8.905 8.612 0.293 1
1 911 . 9 1 1 A 80 80 LEU HA H 80 5.235 4.889 0.346 1
1 921 . 9 1 1 A 80 80 LEU C C 80 174.730 175.352 -0.622 1
1 922 . 9 1 1 A 80 80 LEU CA C 80 54.071 53.691 0.380 1
1 923 . 9 1 1 A 80 80 LEU CB C 80 43.540 44.060 -0.520 1
1 927 . 9 1 1 A 81 81 MET H H 81 9.229 9.082 0.147 1
1 928 . 9 1 1 A 81 81 MET HA H 81 4.960 4.731 0.229 1
1 936 . 9 1 1 A 81 81 MET C C 81 174.450 175.442 -0.992 1
1 937 . 9 1 1 A 81 81 MET CA C 81 53.830 54.498 -0.668 1
1 938 . 9 1 1 A 81 81 MET CB C 81 34.810 31.833 2.977 1
1 941 . 9 1 1 A 81 81 MET N N 81 125.712 128.114 -2.402 1
1 942 . 9 1 1 A 82 82 ALA H H 82 8.891 8.186 0.705 1
1 943 . 9 1 1 A 82 82 ALA HA H 82 5.043 5.067 -0.024 1
1 947 . 9 1 1 A 82 82 ALA C C 82 177.470 176.474 0.996 1
1 948 . 9 1 1 A 82 82 ALA CA C 82 51.010 50.799 0.211 1
1 949 . 9 1 1 A 82 82 ALA CB C 82 21.124 21.300 -0.176 1
1 950 . 9 1 1 A 82 82 ALA N N 82 126.315 129.809 -3.494 1
1 951 . 9 1 1 A 83 83 SER H H 83 8.719 8.736 -0.017 1
1 952 . 9 1 1 A 83 83 SER HA H 83 4.497 5.105 -0.608 1
1 955 . 9 1 1 A 83 83 SER C C 83 174.360 175.693 -1.333 1
1 956 . 9 1 1 A 83 83 SER CA C 83 58.534 55.744 2.790 1
1 957 . 9 1 1 A 83 83 SER CB C 83 64.140 65.199 -1.059 1
1 958 . 9 1 1 A 83 83 SER N N 83 117.987 117.525 0.462 1
1 959 . 9 1 1 A 84 84 GLN H H 84 8.629 8.861 -0.232 1
1 960 . 9 1 1 A 84 84 GLN HA H 84 4.449 4.315 0.134 1
1 967 . 9 1 1 A 84 84 GLN C C 84 175.370 175.926 -0.556 1
1 968 . 9 1 1 A 84 84 GLN CA C 84 55.890 57.119 -1.229 1
1 969 . 9 1 1 A 84 84 GLN CB C 84 29.860 29.836 0.024 1
1 971 . 9 1 1 A 84 84 GLN N N 84 122.746 123.394 -0.648 1
1 1 . 10 1 1 A 10 10 HIS HA H 10 4.506 4.482 0.024 1
1 4 . 10 1 1 A 10 10 HIS C C 10 176.040 174.743 1.297 1
1 5 . 10 1 1 A 10 10 HIS CA C 10 55.850 56.797 -0.947 1
1 6 . 10 1 1 A 10 10 HIS CB C 10 33.250 30.608 2.642 1
1 7 . 10 1 1 A 11 11 SER H H 11 8.462 8.351 0.111 1
1 8 . 10 1 1 A 11 11 SER HA H 11 4.516 4.338 0.178 1
1 10 . 10 1 1 A 11 11 SER C C 11 174.050 173.912 0.138 1
1 11 . 10 1 1 A 11 11 SER CA C 11 59.054 58.564 0.490 1
1 12 . 10 1 1 A 11 11 SER CB C 11 63.850 63.117 0.733 1
1 13 . 10 1 1 A 11 11 SER N N 11 117.900 122.122 -4.222 1
1 14 . 10 1 1 A 12 12 THR H H 12 7.923 8.738 -0.815 1
1 15 . 10 1 1 A 12 12 THR HA H 12 4.581 5.227 -0.646 1
1 20 . 10 1 1 A 12 12 THR C C 12 174.140 173.615 0.525 1
1 21 . 10 1 1 A 12 12 THR CA C 12 61.245 60.537 0.708 1
1 22 . 10 1 1 A 12 12 THR CB C 12 71.940 71.392 0.548 1
1 24 . 10 1 1 A 12 12 THR N N 12 112.783 116.511 -3.728 1
1 25 . 10 1 1 A 13 13 ILE H H 13 9.201 8.802 0.399 1
1 26 . 10 1 1 A 13 13 ILE HA H 13 4.532 4.608 -0.076 1
1 36 . 10 1 1 A 13 13 ILE C C 13 173.930 175.692 -1.762 1
1 37 . 10 1 1 A 13 13 ILE CA C 13 59.720 60.188 -0.468 1
1 38 . 10 1 1 A 13 13 ILE CB C 13 41.597 39.058 2.539 1
1 42 . 10 1 1 A 13 13 ILE N N 13 117.602 122.623 -5.021 1
1 43 . 10 1 1 A 14 14 LYS H H 14 8.077 8.431 -0.354 1
1 44 . 10 1 1 A 14 14 LYS HA H 14 5.110 4.854 0.256 1
1 53 . 10 1 1 A 14 14 LYS C C 14 175.360 175.498 -0.138 1
1 54 . 10 1 1 A 14 14 LYS CA C 14 55.200 55.752 -0.552 1
1 55 . 10 1 1 A 14 14 LYS CB C 14 33.130 33.792 -0.662 1
1 59 . 10 1 1 A 14 14 LYS N N 14 122.699 123.466 -0.767 1
1 60 . 10 1 1 A 15 15 LEU H H 15 8.953 9.427 -0.474 1
1 61 . 10 1 1 A 15 15 LEU HA H 15 5.025 5.062 -0.037 1
1 71 . 10 1 1 A 15 15 LEU C C 15 176.400 176.271 0.129 1
1 72 . 10 1 1 A 15 15 LEU CA C 15 53.620 53.409 0.211 1
1 73 . 10 1 1 A 15 15 LEU CB C 15 45.380 45.367 0.013 1
1 77 . 10 1 1 A 15 15 LEU N N 15 121.650 126.140 -4.490 1
1 78 . 10 1 1 A 16 16 THR H H 16 8.412 8.883 -0.471 1
1 79 . 10 1 1 A 16 16 THR HA H 16 5.075 4.999 0.076 1
1 84 . 10 1 1 A 16 16 THR C C 16 173.070 173.526 -0.456 1
1 85 . 10 1 1 A 16 16 THR CA C 16 61.380 61.689 -0.309 1
1 86 . 10 1 1 A 16 16 THR CB C 16 71.700 70.396 1.304 1
1 88 . 10 1 1 A 16 16 THR N N 16 114.701 118.025 -3.324 1
1 89 . 10 1 1 A 17 17 VAL H H 17 9.083 9.140 -0.057 1
1 90 . 10 1 1 A 17 17 VAL HA H 17 4.600 4.382 0.218 1
1 98 . 10 1 1 A 17 17 VAL C C 17 174.570 175.617 -1.047 1
1 99 . 10 1 1 A 17 17 VAL CA C 17 61.005 62.339 -1.334 1
1 100 . 10 1 1 A 17 17 VAL CB C 17 33.600 32.267 1.333 1
1 103 . 10 1 1 A 17 17 VAL N N 17 125.565 127.858 -2.293 1
1 104 . 10 1 1 A 18 18 LYS H H 18 9.183 9.198 -0.015 1
1 105 . 10 1 1 A 18 18 LYS HA H 18 5.156 4.942 0.214 1
1 114 . 10 1 1 A 18 18 LYS C C 18 175.150 175.177 -0.027 1
1 115 . 10 1 1 A 18 18 LYS CA C 18 54.630 55.948 -1.318 1
1 116 . 10 1 1 A 18 18 LYS CB C 18 33.217 31.855 1.362 1
1 120 . 10 1 1 A 18 18 LYS N N 18 129.200 128.137 1.063 1
1 121 . 10 1 1 A 19 19 PHE H H 19 8.927 8.639 0.288 1
1 122 . 10 1 1 A 19 19 PHE HA H 19 5.377 4.907 0.470 1
1 129 . 10 1 1 A 19 19 PHE C C 19 175.850 175.167 0.683 1
1 130 . 10 1 1 A 19 19 PHE CA C 19 55.330 56.924 -1.594 1
1 131 . 10 1 1 A 19 19 PHE CB C 19 41.690 40.383 1.307 1
1 136 . 10 1 1 A 19 19 PHE N N 19 126.659 126.698 -0.039 1
1 139 . 10 1 1 A 20 20 GLY H H 20 9.275 9.228 0.047 1
1 140 . 10 1 1 A 20 20 GLY HA2 H 20 3.580 3.469 0.111 1
1 141 . 10 1 1 A 20 20 GLY HA3 H 20 3.578 3.678 -0.100 1
1 142 . 10 1 1 A 20 20 GLY C C 20 175.090 175.248 -0.158 1
1 143 . 10 1 1 A 20 20 GLY CA C 20 47.070 46.676 0.394 1
1 144 . 10 1 1 A 20 20 GLY N N 20 119.629 113.912 5.717 1
1 145 . 10 1 1 A 21 21 GLY H H 21 8.819 8.668 0.151 1
1 146 . 10 1 1 A 21 21 GLY HA2 H 21 3.942 3.861 0.081 1
1 147 . 10 1 1 A 21 21 GLY HA3 H 21 3.942 3.883 0.059 1
1 148 . 10 1 1 A 21 21 GLY C C 21 173.890 173.914 -0.024 1
1 149 . 10 1 1 A 21 21 GLY CA C 21 45.290 45.452 -0.162 1
1 150 . 10 1 1 A 21 21 GLY N N 21 111.500 106.816 4.684 1
1 151 . 10 1 1 A 22 22 LYS H H 22 7.975 7.811 0.164 1
1 152 . 10 1 1 A 22 22 LYS HA H 22 4.616 4.600 0.016 1
1 161 . 10 1 1 A 22 22 LYS C C 22 175.450 175.598 -0.148 1
1 162 . 10 1 1 A 22 22 LYS CA C 22 55.514 55.013 0.501 1
1 163 . 10 1 1 A 22 22 LYS CB C 22 34.790 34.170 0.620 1
1 167 . 10 1 1 A 22 22 LYS N N 22 121.832 120.657 1.175 1
1 168 . 10 1 1 A 23 23 SER H H 23 8.722 8.773 -0.051 1
1 169 . 10 1 1 A 23 23 SER HA H 23 4.841 5.442 -0.601 1
1 172 . 10 1 1 A 23 23 SER C C 23 173.910 172.616 1.294 1
1 173 . 10 1 1 A 23 23 SER CA C 23 58.344 56.695 1.649 1
1 174 . 10 1 1 A 23 23 SER CB C 23 64.237 64.601 -0.364 1
1 175 . 10 1 1 A 23 23 SER N N 23 119.004 113.000 6.004 1
1 176 . 10 1 1 A 24 24 ILE H H 24 9.444 9.378 0.066 1
1 177 . 10 1 1 A 24 24 ILE HA H 24 4.502 4.673 -0.171 1
1 187 . 10 1 1 A 24 24 ILE C C 24 173.590 175.071 -1.481 1
1 188 . 10 1 1 A 24 24 ILE CA C 24 59.145 58.253 0.892 1
1 189 . 10 1 1 A 24 24 ILE CB C 24 40.620 38.478 2.142 1
1 193 . 10 1 1 A 24 24 ILE N N 24 129.205 127.175 2.030 1
1 194 . 10 1 1 A 25 25 PRO HA H 25 5.179 5.085 0.094 1
1 201 . 10 1 1 A 25 25 PRO C C 25 176.750 176.132 0.618 1
1 202 . 10 1 1 A 25 25 PRO CA C 25 61.740 62.191 -0.451 1
1 203 . 10 1 1 A 25 25 PRO CB C 25 32.010 31.592 0.418 1
1 206 . 10 1 1 A 26 26 LEU H H 26 8.720 8.939 -0.219 1
1 207 . 10 1 1 A 26 26 LEU HA H 26 4.731 4.988 -0.257 1
1 217 . 10 1 1 A 26 26 LEU C C 26 175.450 175.684 -0.234 1
1 218 . 10 1 1 A 26 26 LEU CA C 26 54.731 53.304 1.427 1
1 219 . 10 1 1 A 26 26 LEU CB C 26 47.766 44.860 2.906 1
1 223 . 10 1 1 A 26 26 LEU N N 26 122.986 125.230 -2.244 1
1 224 . 10 1 1 A 27 27 SER H H 27 8.404 8.697 -0.293 1
1 225 . 10 1 1 A 27 27 SER HA H 27 5.504 5.687 -0.183 1
1 228 . 10 1 1 A 27 27 SER C C 27 174.498 173.344 1.154 1
1 229 . 10 1 1 A 27 27 SER CA C 27 57.000 57.782 -0.782 1
1 230 . 10 1 1 A 27 27 SER CB C 27 63.850 65.351 -1.501 1
1 231 . 10 1 1 A 27 27 SER N N 27 118.151 113.466 4.685 1
1 232 . 10 1 1 A 28 28 VAL H H 28 8.743 8.786 -0.043 1
1 233 . 10 1 1 A 28 28 VAL HA H 28 4.792 4.986 -0.194 1
1 241 . 10 1 1 A 28 28 VAL C C 28 174.250 174.945 -0.695 1
1 242 . 10 1 1 A 28 28 VAL CA C 28 58.792 58.973 -0.181 1
1 243 . 10 1 1 A 28 28 VAL CB C 28 36.600 35.169 1.431 1
1 246 . 10 1 1 A 28 28 VAL N N 28 118.097 121.422 -3.325 1
1 247 . 10 1 1 A 29 29 SER H H 29 8.694 8.651 0.043 1
1 248 . 10 1 1 A 29 29 SER HA H 29 4.960 4.792 0.168 1
1 251 . 10 1 1 A 29 29 SER C C 29 175.159 174.371 0.788 1
1 252 . 10 1 1 A 29 29 SER CA C 29 55.925 56.969 -1.044 1
1 253 . 10 1 1 A 29 29 SER CB C 29 64.080 62.950 1.130 1
1 254 . 10 1 1 A 29 29 SER N N 29 116.965 118.421 -1.456 1
1 255 . 10 1 1 A 30 30 PRO HA H 30 4.277 4.414 -0.137 1
1 262 . 10 1 1 A 30 30 PRO C C 30 175.705 177.509 -1.804 1
1 263 . 10 1 1 A 30 30 PRO CA C 30 64.825 64.431 0.394 1
1 264 . 10 1 1 A 30 30 PRO CB C 30 32.074 31.739 0.335 1
1 267 . 10 1 1 A 31 31 ASP H H 31 7.818 8.634 -0.816 1
1 268 . 10 1 1 A 31 31 ASP HA H 31 4.725 4.402 0.323 1
1 271 . 10 1 1 A 31 31 ASP C C 31 175.040 177.209 -2.169 1
1 272 . 10 1 1 A 31 31 ASP CA C 31 54.160 56.237 -2.077 1
1 273 . 10 1 1 A 31 31 ASP CB C 31 41.590 40.934 0.656 1
1 274 . 10 1 1 A 31 31 ASP N N 31 114.503 118.113 -3.610 1
1 275 . 10 1 1 A 32 32 CYS H H 32 7.657 7.806 -0.149 1
1 276 . 10 1 1 A 32 32 CYS HA H 32 4.483 4.550 -0.067 1
1 279 . 10 1 1 A 32 32 CYS C C 32 174.805 175.235 -0.430 1
1 280 . 10 1 1 A 32 32 CYS CA C 32 59.510 59.192 0.318 1
1 281 . 10 1 1 A 32 32 CYS CB C 32 28.010 28.091 -0.081 1
1 282 . 10 1 1 A 32 32 CYS N N 32 119.852 118.856 0.996 1
1 283 . 10 1 1 A 33 33 THR H H 33 8.992 8.519 0.473 1
1 284 . 10 1 1 A 33 33 THR HA H 33 4.861 4.783 0.078 1
1 289 . 10 1 1 A 33 33 THR C C 33 176.350 176.458 -0.108 1
1 290 . 10 1 1 A 33 33 THR CA C 33 61.165 60.169 0.996 1
1 291 . 10 1 1 A 33 33 THR CB C 33 71.968 71.475 0.493 1
1 293 . 10 1 1 A 33 33 THR N N 33 115.278 114.739 0.539 1
1 294 . 10 1 1 A 34 34 VAL H H 34 8.558 8.443 0.115 1
1 295 . 10 1 1 A 34 34 VAL HA H 34 3.384 3.839 -0.455 1
1 303 . 10 1 1 A 34 34 VAL C C 34 177.880 177.691 0.189 1
1 304 . 10 1 1 A 34 34 VAL CA C 34 67.050 65.288 1.762 1
1 305 . 10 1 1 A 34 34 VAL CB C 34 31.303 31.439 -0.136 1
1 308 . 10 1 1 A 34 34 VAL N N 34 123.274 119.262 4.012 1
1 309 . 10 1 1 A 35 35 LYS H H 35 8.316 8.030 0.286 1
1 310 . 10 1 1 A 35 35 LYS HA H 35 3.758 3.944 -0.186 1
1 319 . 10 1 1 A 35 35 LYS C C 35 178.180 178.002 0.178 1
1 320 . 10 1 1 A 35 35 LYS CA C 35 60.812 59.196 1.616 1
1 321 . 10 1 1 A 35 35 LYS CB C 35 32.610 32.261 0.349 1
1 325 . 10 1 1 A 35 35 LYS N N 35 119.813 121.090 -1.277 1
1 326 . 10 1 1 A 36 36 ASP H H 36 7.959 8.407 -0.448 1
1 327 . 10 1 1 A 36 36 ASP HA H 36 4.414 4.334 0.080 1
1 330 . 10 1 1 A 36 36 ASP C C 36 179.395 178.267 1.128 1
1 331 . 10 1 1 A 36 36 ASP CA C 36 57.360 57.388 -0.028 1
1 332 . 10 1 1 A 36 36 ASP CB C 36 40.350 42.245 -1.895 1
1 333 . 10 1 1 A 36 36 ASP N N 36 120.728 120.190 0.538 1
1 334 . 10 1 1 A 37 37 LEU H H 37 8.147 8.108 0.039 1
1 335 . 10 1 1 A 37 37 LEU HA H 37 3.976 4.099 -0.123 1
1 345 . 10 1 1 A 37 37 LEU C C 37 178.630 178.755 -0.125 1
1 346 . 10 1 1 A 37 37 LEU CA C 37 58.210 57.760 0.450 1
1 347 . 10 1 1 A 37 37 LEU CB C 37 41.470 41.906 -0.436 1
1 351 . 10 1 1 A 37 37 LEU N N 37 123.841 120.507 3.334 1
1 352 . 10 1 1 A 38 38 LYS H H 38 8.308 7.799 0.509 1
1 353 . 10 1 1 A 38 38 LYS HA H 38 4.505 3.877 0.628 1
1 362 . 10 1 1 A 38 38 LYS C C 38 180.780 179.287 1.493 1
1 363 . 10 1 1 A 38 38 LYS CA C 38 59.910 59.644 0.266 1
1 364 . 10 1 1 A 38 38 LYS CB C 38 34.270 32.181 2.089 1
1 368 . 10 1 1 A 38 38 LYS N N 38 117.736 119.733 -1.997 1
1 369 . 10 1 1 A 39 39 SER H H 39 7.952 8.024 -0.072 1
1 370 . 10 1 1 A 39 39 SER HA H 39 4.230 4.292 -0.062 1
1 373 . 10 1 1 A 39 39 SER C C 39 177.240 176.111 1.129 1
1 374 . 10 1 1 A 39 39 SER CA C 39 62.440 60.673 1.767 1
1 375 . 10 1 1 A 39 39 SER CB C 39 62.670 62.743 -0.073 1
1 376 . 10 1 1 A 39 39 SER N N 39 115.100 114.178 0.922 1
1 377 . 10 1 1 A 40 40 GLN H H 40 7.899 7.465 0.434 1
1 378 . 10 1 1 A 40 40 GLN HA H 40 4.125 4.282 -0.157 1
1 385 . 10 1 1 A 40 40 GLN C C 40 178.330 178.186 0.144 1
1 386 . 10 1 1 A 40 40 GLN CA C 40 59.045 57.752 1.293 1
1 387 . 10 1 1 A 40 40 GLN CB C 40 28.893 29.352 -0.459 1
1 389 . 10 1 1 A 40 40 GLN N N 40 121.600 120.618 0.982 1
1 391 . 10 1 1 A 41 41 LEU H H 41 8.010 7.926 0.084 1
1 392 . 10 1 1 A 41 41 LEU HA H 41 4.130 4.059 0.071 1
1 402 . 10 1 1 A 41 41 LEU C C 41 179.980 178.755 1.225 1
1 403 . 10 1 1 A 41 41 LEU CA C 41 56.472 56.698 -0.226 1
1 404 . 10 1 1 A 41 41 LEU CB C 41 42.660 41.624 1.036 1
1 408 . 10 1 1 A 41 41 LEU N N 41 116.657 119.045 -2.388 1
1 409 . 10 1 1 A 42 42 GLN H H 42 7.903 8.386 -0.483 1
1 410 . 10 1 1 A 42 42 GLN HA H 42 4.180 3.974 0.206 1
1 417 . 10 1 1 A 42 42 GLN C C 42 174.350 174.334 0.016 1
1 418 . 10 1 1 A 42 42 GLN CA C 42 61.300 61.048 0.252 1
1 419 . 10 1 1 A 42 42 GLN CB C 42 25.250 26.141 -0.891 1
1 421 . 10 1 1 A 42 42 GLN N N 42 125.104 120.251 4.853 1
1 423 . 10 1 1 A 43 43 PRO HA H 43 4.410 4.398 0.012 1
1 430 . 10 1 1 A 43 43 PRO C C 43 177.270 178.003 -0.733 1
1 431 . 10 1 1 A 43 43 PRO CA C 43 65.130 64.971 0.159 1
1 432 . 10 1 1 A 43 43 PRO CB C 43 31.208 31.224 -0.016 1
1 435 . 10 1 1 A 44 44 ILE H H 44 6.568 7.893 -1.325 1
1 436 . 10 1 1 A 44 44 ILE HA H 44 3.959 4.022 -0.063 1
1 446 . 10 1 1 A 44 44 ILE C C 44 177.060 177.828 -0.768 1
1 447 . 10 1 1 A 44 44 ILE CA C 44 63.670 63.301 0.369 1
1 448 . 10 1 1 A 44 44 ILE CB C 44 40.270 38.879 1.391 1
1 452 . 10 1 1 A 44 44 ILE N N 44 114.765 116.566 -1.801 1
1 453 . 10 1 1 A 45 45 THR H H 45 7.826 8.342 -0.516 1
1 454 . 10 1 1 A 45 45 THR HA H 45 4.202 4.268 -0.066 1
1 459 . 10 1 1 A 45 45 THR C C 45 174.990 175.404 -0.414 1
1 460 . 10 1 1 A 45 45 THR CA C 45 62.696 62.408 0.288 1
1 461 . 10 1 1 A 45 45 THR CB C 45 71.682 69.866 1.816 1
1 463 . 10 1 1 A 45 45 THR N N 45 107.323 110.450 -3.127 1
1 464 . 10 1 1 A 46 46 ASN H H 46 8.660 8.184 0.476 1
1 465 . 10 1 1 A 46 46 ASN HA H 46 4.381 4.371 0.010 1
1 470 . 10 1 1 A 46 46 ASN C C 46 173.900 174.009 -0.109 1
1 471 . 10 1 1 A 46 46 ASN CA C 46 54.890 54.517 0.373 1
1 472 . 10 1 1 A 46 46 ASN CB C 46 38.207 37.221 0.986 1
1 473 . 10 1 1 A 46 46 ASN N N 46 117.586 115.495 2.091 1
1 475 . 10 1 1 A 47 47 VAL H H 47 7.517 7.438 0.079 1
1 476 . 10 1 1 A 47 47 VAL HA H 47 4.134 4.281 -0.147 1
1 484 . 10 1 1 A 47 47 VAL C C 47 176.140 175.255 0.885 1
1 485 . 10 1 1 A 47 47 VAL CA C 47 61.763 61.385 0.378 1
1 486 . 10 1 1 A 47 47 VAL CB C 47 32.925 33.136 -0.211 1
1 489 . 10 1 1 A 47 47 VAL N N 47 119.901 119.411 0.490 1
1 490 . 10 1 1 A 48 48 LEU H H 48 8.650 8.564 0.086 1
1 491 . 10 1 1 A 48 48 LEU HA H 48 4.194 4.340 -0.146 1
1 501 . 10 1 1 A 48 48 LEU C C 48 177.110 177.204 -0.094 1
1 502 . 10 1 1 A 48 48 LEU CA C 48 54.491 53.660 0.831 1
1 503 . 10 1 1 A 48 48 LEU CB C 48 41.171 41.476 -0.305 1
1 507 . 10 1 1 A 48 48 LEU N N 48 128.467 127.085 1.382 1
1 508 . 10 1 1 A 49 49 PRO HA H 49 3.923 4.276 -0.353 1
1 515 . 10 1 1 A 49 49 PRO C C 49 178.430 178.271 0.159 1
1 516 . 10 1 1 A 49 49 PRO CA C 49 67.000 65.155 1.845 1
1 517 . 10 1 1 A 49 49 PRO CB C 49 32.456 32.011 0.445 1
1 520 . 10 1 1 A 50 50 ARG H H 50 8.331 8.198 0.133 1
1 521 . 10 1 1 A 50 50 ARG HA H 50 4.239 4.106 0.133 1
1 528 . 10 1 1 A 50 50 ARG C C 50 176.940 178.443 -1.503 1
1 529 . 10 1 1 A 50 50 ARG CA C 50 58.130 59.345 -1.215 1
1 530 . 10 1 1 A 50 50 ARG CB C 50 29.200 29.951 -0.751 1
1 533 . 10 1 1 A 50 50 ARG N N 50 114.500 118.419 -3.919 1
1 534 . 10 1 1 A 51 51 GLY H H 51 8.199 7.985 0.214 1
1 535 . 10 1 1 A 51 51 GLY HA2 H 51 3.605 3.879 -0.274 1
1 536 . 10 1 1 A 51 51 GLY HA3 H 51 4.335 3.882 0.453 1
1 537 . 10 1 1 A 51 51 GLY C C 51 173.340 174.654 -1.314 1
1 538 . 10 1 1 A 51 51 GLY CA C 51 44.750 46.709 -1.959 1
1 539 . 10 1 1 A 51 51 GLY N N 51 107.942 106.570 1.372 1
1 540 . 10 1 1 A 52 52 GLN H H 52 7.475 7.666 -0.191 1
1 541 . 10 1 1 A 52 52 GLN HA H 52 4.315 4.352 -0.037 1
1 548 . 10 1 1 A 52 52 GLN C C 52 175.770 174.969 0.801 1
1 549 . 10 1 1 A 52 52 GLN CA C 52 56.023 55.670 0.353 1
1 550 . 10 1 1 A 52 52 GLN CB C 52 31.494 29.115 2.379 1
1 552 . 10 1 1 A 52 52 GLN N N 52 119.769 119.429 0.340 1
1 554 . 10 1 1 A 53 53 LYS H H 53 8.586 8.553 0.033 1
1 555 . 10 1 1 A 53 53 LYS HA H 53 4.500 4.745 -0.245 1
1 564 . 10 1 1 A 53 53 LYS C C 53 174.080 175.238 -1.158 1
1 565 . 10 1 1 A 53 53 LYS CA C 53 55.950 55.916 0.034 1
1 566 . 10 1 1 A 53 53 LYS CB C 53 34.690 33.406 1.284 1
1 570 . 10 1 1 A 53 53 LYS N N 53 123.759 125.696 -1.937 1
1 571 . 10 1 1 A 54 54 LEU H H 54 8.900 9.356 -0.456 1
1 572 . 10 1 1 A 54 54 LEU HA H 54 5.271 4.942 0.329 1
1 582 . 10 1 1 A 54 54 LEU C C 54 174.940 176.024 -1.084 1
1 583 . 10 1 1 A 54 54 LEU CA C 54 53.250 53.517 -0.267 1
1 584 . 10 1 1 A 54 54 LEU CB C 54 45.042 42.200 2.842 1
1 588 . 10 1 1 A 54 54 LEU N N 54 126.200 126.801 -0.601 1
1 589 . 10 1 1 A 55 55 ILE H H 55 9.330 9.088 0.242 1
1 590 . 10 1 1 A 55 55 ILE HA H 55 4.886 5.156 -0.270 1
1 600 . 10 1 1 A 55 55 ILE C C 55 175.623 175.036 0.587 1
1 601 . 10 1 1 A 55 55 ILE CA C 55 59.402 59.965 -0.563 1
1 602 . 10 1 1 A 55 55 ILE CB C 55 40.270 40.271 -0.001 1
1 606 . 10 1 1 A 55 55 ILE N N 55 123.589 125.386 -1.797 1
1 607 . 10 1 1 A 56 56 PHE H H 56 9.241 9.243 -0.002 1
1 608 . 10 1 1 A 56 56 PHE HA H 56 5.212 4.896 0.316 1
1 615 . 10 1 1 A 56 56 PHE C C 56 174.600 174.822 -0.222 1
1 616 . 10 1 1 A 56 56 PHE CA C 56 55.936 57.443 -1.507 1
1 617 . 10 1 1 A 56 56 PHE CB C 56 42.830 42.692 0.138 1
1 622 . 10 1 1 A 56 56 PHE N N 56 127.423 126.908 0.515 1
1 625 . 10 1 1 A 57 57 LYS H H 57 9.307 9.087 0.220 1
1 626 . 10 1 1 A 57 57 LYS HA H 57 3.630 3.556 0.074 1
1 635 . 10 1 1 A 57 57 LYS C C 57 176.620 176.694 -0.074 1
1 636 . 10 1 1 A 57 57 LYS CA C 57 57.495 57.040 0.455 1
1 637 . 10 1 1 A 57 57 LYS CB C 57 30.100 29.822 0.278 1
1 641 . 10 1 1 A 57 57 LYS N N 57 128.612 127.656 0.956 1
1 642 . 10 1 1 A 58 58 GLY H H 58 8.288 8.620 -0.332 1
1 643 . 10 1 1 A 58 58 GLY HA2 H 58 3.487 3.822 -0.335 1
1 644 . 10 1 1 A 58 58 GLY HA3 H 58 4.098 3.840 0.258 1
1 645 . 10 1 1 A 58 58 GLY C C 58 173.568 173.505 0.063 1
1 646 . 10 1 1 A 58 58 GLY CA C 58 45.475 45.338 0.137 1
1 647 . 10 1 1 A 58 58 GLY N N 58 102.757 104.837 -2.080 1
1 648 . 10 1 1 A 59 59 LYS H H 59 7.900 7.846 0.054 1
1 649 . 10 1 1 A 59 59 LYS HA H 59 4.667 4.632 0.035 1
1 658 . 10 1 1 A 59 59 LYS C C 59 174.830 175.768 -0.938 1
1 659 . 10 1 1 A 59 59 LYS CA C 59 55.222 54.806 0.416 1
1 660 . 10 1 1 A 59 59 LYS CB C 59 35.010 34.257 0.753 1
1 664 . 10 1 1 A 59 59 LYS N N 59 121.753 121.520 0.233 1
1 665 . 10 1 1 A 60 60 VAL H H 60 8.587 8.631 -0.044 1
1 666 . 10 1 1 A 60 60 VAL HA H 60 4.209 4.532 -0.323 1
1 674 . 10 1 1 A 60 60 VAL C C 60 177.380 175.917 1.463 1
1 675 . 10 1 1 A 60 60 VAL CA C 60 63.080 62.733 0.347 1
1 676 . 10 1 1 A 60 60 VAL CB C 60 32.101 32.373 -0.272 1
1 679 . 10 1 1 A 60 60 VAL N N 60 123.795 126.786 -2.991 1
1 680 . 10 1 1 A 61 61 LEU H H 61 8.876 8.518 0.358 1
1 681 . 10 1 1 A 61 61 LEU HA H 61 4.430 4.436 -0.006 1
1 691 . 10 1 1 A 61 61 LEU C C 61 176.660 177.441 -0.781 1
1 692 . 10 1 1 A 61 61 LEU CA C 61 54.760 54.579 0.181 1
1 693 . 10 1 1 A 61 61 LEU CB C 61 43.060 42.319 0.741 1
1 697 . 10 1 1 A 61 61 LEU N N 61 129.083 130.314 -1.231 1
1 698 . 10 1 1 A 62 62 VAL H H 62 8.759 8.815 -0.056 1
1 699 . 10 1 1 A 62 62 VAL HA H 62 3.989 4.138 -0.149 1
1 707 . 10 1 1 A 62 62 VAL C C 62 178.390 176.111 2.279 1
1 708 . 10 1 1 A 62 62 VAL CA C 62 63.077 62.394 0.683 1
1 709 . 10 1 1 A 62 62 VAL CB C 62 32.440 32.543 -0.103 1
1 712 . 10 1 1 A 62 62 VAL N N 62 124.193 123.155 1.038 1
1 713 . 10 1 1 A 63 63 GLU H H 63 8.806 9.025 -0.219 1
1 714 . 10 1 1 A 63 63 GLU HA H 63 3.757 4.073 -0.316 1
1 719 . 10 1 1 A 63 63 GLU C C 63 176.500 177.989 -1.489 1
1 720 . 10 1 1 A 63 63 GLU CA C 63 60.509 59.661 0.848 1
1 721 . 10 1 1 A 63 63 GLU CB C 63 30.580 29.216 1.364 1
1 723 . 10 1 1 A 63 63 GLU N N 63 125.296 125.955 -0.659 1
1 724 . 10 1 1 A 64 64 THR H H 64 7.100 7.601 -0.501 1
1 725 . 10 1 1 A 64 64 THR HA H 64 4.279 4.257 0.022 1
1 730 . 10 1 1 A 64 64 THR C C 64 175.290 174.938 0.352 1
1 731 . 10 1 1 A 64 64 THR CA C 64 61.466 62.842 -1.376 1
1 732 . 10 1 1 A 64 64 THR CB C 64 68.840 69.277 -0.437 1
1 734 . 10 1 1 A 64 64 THR N N 64 102.822 110.918 -8.096 1
1 735 . 10 1 1 A 65 65 SER H H 65 7.749 7.521 0.228 1
1 736 . 10 1 1 A 65 65 SER HA H 65 4.676 4.572 0.104 1
1 739 . 10 1 1 A 65 65 SER C C 65 174.300 174.233 0.067 1
1 740 . 10 1 1 A 65 65 SER CA C 65 58.060 57.210 0.850 1
1 741 . 10 1 1 A 65 65 SER CB C 65 64.950 64.632 0.318 1
1 742 . 10 1 1 A 65 65 SER N N 65 117.966 117.347 0.619 1
1 743 . 10 1 1 A 66 66 THR H H 66 8.512 8.346 0.166 1
1 744 . 10 1 1 A 66 66 THR HA H 66 5.032 4.677 0.355 1
1 750 . 10 1 1 A 66 66 THR C C 66 177.300 176.323 0.977 1
1 751 . 10 1 1 A 66 66 THR CA C 66 60.200 60.867 -0.667 1
1 752 . 10 1 1 A 66 66 THR CB C 66 71.550 71.062 0.488 1
1 754 . 10 1 1 A 66 66 THR N N 66 111.490 114.091 -2.601 1
1 755 . 10 1 1 A 67 67 LEU H H 67 8.451 8.780 -0.329 1
1 756 . 10 1 1 A 67 67 LEU HA H 67 3.753 3.931 -0.178 1
1 766 . 10 1 1 A 67 67 LEU C C 67 179.170 178.966 0.204 1
1 767 . 10 1 1 A 67 67 LEU CA C 67 59.234 58.507 0.727 1
1 768 . 10 1 1 A 67 67 LEU CB C 67 38.897 41.440 -2.543 1
1 772 . 10 1 1 A 67 67 LEU N N 67 122.302 123.217 -0.915 1
1 773 . 10 1 1 A 68 68 LYS H H 68 8.313 8.111 0.202 1
1 774 . 10 1 1 A 68 68 LYS HA H 68 4.090 3.908 0.182 1
1 783 . 10 1 1 A 68 68 LYS C C 68 180.950 179.509 1.441 1
1 784 . 10 1 1 A 68 68 LYS CA C 68 59.620 59.179 0.441 1
1 785 . 10 1 1 A 68 68 LYS CB C 68 32.490 32.014 0.476 1
1 789 . 10 1 1 A 68 68 LYS N N 68 120.066 119.973 0.093 1
1 790 . 10 1 1 A 69 69 GLN H H 69 8.019 8.020 -0.001 1
1 791 . 10 1 1 A 69 69 GLN HA H 69 4.086 4.144 -0.058 1
1 798 . 10 1 1 A 69 69 GLN C C 69 177.840 177.372 0.468 1
1 799 . 10 1 1 A 69 69 GLN CA C 69 58.260 58.352 -0.092 1
1 800 . 10 1 1 A 69 69 GLN CB C 69 28.580 28.558 0.022 1
1 802 . 10 1 1 A 69 69 GLN N N 69 119.594 119.569 0.025 1
1 804 . 10 1 1 A 70 70 SER H H 70 7.544 7.841 -0.297 1
1 805 . 10 1 1 A 70 70 SER HA H 70 4.517 4.614 -0.097 1
1 808 . 10 1 1 A 70 70 SER C C 70 171.870 173.549 -1.679 1
1 809 . 10 1 1 A 70 70 SER CA C 70 58.920 58.104 0.816 1
1 810 . 10 1 1 A 70 70 SER CB C 70 64.446 63.298 1.148 1
1 811 . 10 1 1 A 70 70 SER N N 70 114.028 111.661 2.367 1
1 812 . 10 1 1 A 71 71 ASP H H 71 7.882 8.157 -0.275 1
1 813 . 10 1 1 A 71 71 ASP HA H 71 4.278 4.300 -0.022 1
1 816 . 10 1 1 A 71 71 ASP C C 71 174.050 174.976 -0.926 1
1 817 . 10 1 1 A 71 71 ASP CA C 71 55.660 55.616 0.044 1
1 818 . 10 1 1 A 71 71 ASP CB C 71 39.540 40.691 -1.151 1
1 819 . 10 1 1 A 71 71 ASP N N 71 116.055 119.968 -3.913 1
1 820 . 10 1 1 A 72 72 VAL H H 72 7.723 7.829 -0.106 1
1 821 . 10 1 1 A 72 72 VAL HA H 72 3.285 3.715 -0.430 1
1 829 . 10 1 1 A 72 72 VAL C C 72 173.980 175.717 -1.737 1
1 830 . 10 1 1 A 72 72 VAL CA C 72 62.744 61.750 0.994 1
1 831 . 10 1 1 A 72 72 VAL CB C 72 30.727 31.656 -0.929 1
1 834 . 10 1 1 A 72 72 VAL N N 72 119.423 120.136 -0.713 1
1 835 . 10 1 1 A 73 73 GLY H H 73 7.722 8.620 -0.898 1
1 836 . 10 1 1 A 73 73 GLY HA2 H 73 3.590 4.214 -0.624 1
1 837 . 10 1 1 A 73 73 GLY HA3 H 73 4.416 4.238 0.178 1
1 838 . 10 1 1 A 73 73 GLY C C 73 172.450 172.177 0.273 1
1 839 . 10 1 1 A 73 73 GLY CA C 73 42.820 43.768 -0.948 1
1 840 . 10 1 1 A 73 73 GLY N N 73 114.445 116.552 -2.107 1
1 841 . 10 1 1 A 74 74 SER H H 74 8.552 8.558 -0.006 1
1 842 . 10 1 1 A 74 74 SER HA H 74 4.365 4.454 -0.089 1
1 845 . 10 1 1 A 74 74 SER C C 74 177.240 175.067 2.173 1
1 846 . 10 1 1 A 74 74 SER CA C 74 60.420 59.150 1.270 1
1 847 . 10 1 1 A 74 74 SER CB C 74 63.350 62.981 0.369 1
1 848 . 10 1 1 A 74 74 SER N N 74 111.883 115.191 -3.308 1
1 849 . 10 1 1 A 75 75 GLY H H 75 9.718 9.105 0.613 1
1 850 . 10 1 1 A 75 75 GLY HA2 H 75 3.693 4.039 -0.346 1
1 851 . 10 1 1 A 75 75 GLY HA3 H 75 4.328 4.047 0.281 1
1 852 . 10 1 1 A 75 75 GLY C C 75 174.500 174.547 -0.047 1
1 853 . 10 1 1 A 75 75 GLY CA C 75 44.990 45.162 -0.172 1
1 854 . 10 1 1 A 75 75 GLY N N 75 115.986 114.072 1.914 1
1 855 . 10 1 1 A 76 76 ALA H H 76 7.939 7.629 0.310 1
1 856 . 10 1 1 A 76 76 ALA HA H 76 4.363 4.483 -0.120 1
1 860 . 10 1 1 A 76 76 ALA C C 76 176.170 176.845 -0.675 1
1 861 . 10 1 1 A 76 76 ALA CA C 76 53.372 51.735 1.637 1
1 862 . 10 1 1 A 76 76 ALA CB C 76 21.400 19.902 1.498 1
1 863 . 10 1 1 A 76 76 ALA N N 76 123.830 123.778 0.052 1
1 864 . 10 1 1 A 77 77 LYS H H 77 8.435 8.741 -0.306 1
1 865 . 10 1 1 A 77 77 LYS HA H 77 5.195 5.271 -0.076 1
1 874 . 10 1 1 A 77 77 LYS C C 77 175.450 175.479 -0.029 1
1 875 . 10 1 1 A 77 77 LYS CA C 77 54.930 55.445 -0.515 1
1 876 . 10 1 1 A 77 77 LYS CB C 77 33.520 33.766 -0.246 1
1 880 . 10 1 1 A 77 77 LYS N N 77 120.636 122.414 -1.778 1
1 881 . 10 1 1 A 78 78 LEU H H 78 9.016 9.144 -0.128 1
1 882 . 10 1 1 A 78 78 LEU HA H 78 5.225 5.101 0.124 1
1 892 . 10 1 1 A 78 78 LEU C C 78 175.970 175.603 0.367 1
1 893 . 10 1 1 A 78 78 LEU CA C 78 53.700 53.519 0.181 1
1 894 . 10 1 1 A 78 78 LEU CB C 78 45.250 42.532 2.718 1
1 898 . 10 1 1 A 78 78 LEU N N 78 123.751 126.846 -3.095 1
1 899 . 10 1 1 A 79 79 MET H H 79 8.983 9.275 -0.292 1
1 900 . 10 1 1 A 79 79 MET HA H 79 5.163 4.743 0.420 1
1 905 . 10 1 1 A 79 79 MET C C 79 173.970 175.259 -1.289 1
1 906 . 10 1 1 A 79 79 MET CA C 79 55.508 55.435 0.073 1
1 907 . 10 1 1 A 79 79 MET CB C 79 35.180 33.231 1.949 1
1 909 . 10 1 1 A 79 79 MET N N 79 120.990 125.492 -4.502 1
1 910 . 10 1 1 A 80 80 LEU H H 80 8.905 9.167 -0.262 1
1 911 . 10 1 1 A 80 80 LEU HA H 80 5.235 5.472 -0.237 1
1 921 . 10 1 1 A 80 80 LEU C C 80 174.730 175.594 -0.864 1
1 922 . 10 1 1 A 80 80 LEU CA C 80 54.071 54.002 0.069 1
1 923 . 10 1 1 A 80 80 LEU CB C 80 43.540 44.079 -0.539 1
1 927 . 10 1 1 A 81 81 MET H H 81 9.229 8.950 0.279 1
1 928 . 10 1 1 A 81 81 MET HA H 81 4.960 4.730 0.230 1
1 936 . 10 1 1 A 81 81 MET C C 81 174.450 175.155 -0.705 1
1 937 . 10 1 1 A 81 81 MET CA C 81 53.830 55.030 -1.200 1
1 938 . 10 1 1 A 81 81 MET CB C 81 34.810 31.822 2.988 1
1 941 . 10 1 1 A 81 81 MET N N 81 125.712 127.854 -2.142 1
1 942 . 10 1 1 A 82 82 ALA H H 82 8.891 7.882 1.009 1
1 943 . 10 1 1 A 82 82 ALA HA H 82 5.043 5.191 -0.148 1
1 947 . 10 1 1 A 82 82 ALA C C 82 177.470 176.132 1.338 1
1 948 . 10 1 1 A 82 82 ALA CA C 82 51.010 51.133 -0.123 1
1 949 . 10 1 1 A 82 82 ALA CB C 82 21.124 21.930 -0.806 1
1 950 . 10 1 1 A 82 82 ALA N N 82 126.315 128.878 -2.563 1
1 951 . 10 1 1 A 83 83 SER H H 83 8.719 8.945 -0.226 1
1 952 . 10 1 1 A 83 83 SER HA H 83 4.497 4.619 -0.122 1
1 955 . 10 1 1 A 83 83 SER C C 83 174.360 173.856 0.504 1
1 956 . 10 1 1 A 83 83 SER CA C 83 58.534 59.284 -0.750 1
1 957 . 10 1 1 A 83 83 SER CB C 83 64.140 63.525 0.615 1
1 958 . 10 1 1 A 83 83 SER N N 83 117.987 120.150 -2.163 1
1 959 . 10 1 1 A 84 84 GLN H H 84 8.629 8.624 0.005 1
1 960 . 10 1 1 A 84 84 GLN HA H 84 4.449 4.505 -0.056 1
1 967 . 10 1 1 A 84 84 GLN C C 84 175.370 175.855 -0.485 1
1 968 . 10 1 1 A 84 84 GLN CA C 84 55.890 55.722 0.168 1
1 969 . 10 1 1 A 84 84 GLN CB C 84 29.860 28.104 1.756 1
1 971 . 10 1 1 A 84 84 GLN N N 84 122.746 125.062 -2.316 1
1 1 . 11 1 1 A 10 10 HIS HA H 10 4.506 4.937 -0.431 1
1 4 . 11 1 1 A 10 10 HIS C C 10 176.040 175.627 0.413 1
1 5 . 11 1 1 A 10 10 HIS CA C 10 55.850 55.335 0.515 1
1 6 . 11 1 1 A 10 10 HIS CB C 10 33.250 31.790 1.460 1
1 7 . 11 1 1 A 11 11 SER H H 11 8.462 8.870 -0.408 1
1 8 . 11 1 1 A 11 11 SER HA H 11 4.516 4.448 0.068 1
1 10 . 11 1 1 A 11 11 SER C C 11 174.050 173.503 0.547 1
1 11 . 11 1 1 A 11 11 SER CA C 11 59.054 58.126 0.928 1
1 12 . 11 1 1 A 11 11 SER CB C 11 63.850 62.191 1.659 1
1 13 . 11 1 1 A 11 11 SER N N 11 117.900 116.942 0.958 1
1 14 . 11 1 1 A 12 12 THR H H 12 7.923 7.684 0.239 1
1 15 . 11 1 1 A 12 12 THR HA H 12 4.581 5.299 -0.718 1
1 20 . 11 1 1 A 12 12 THR C C 12 174.140 174.459 -0.319 1
1 21 . 11 1 1 A 12 12 THR CA C 12 61.245 60.629 0.616 1
1 22 . 11 1 1 A 12 12 THR CB C 12 71.940 71.105 0.835 1
1 24 . 11 1 1 A 12 12 THR N N 12 112.783 112.171 0.612 1
1 25 . 11 1 1 A 13 13 ILE H H 13 9.201 9.073 0.128 1
1 26 . 11 1 1 A 13 13 ILE HA H 13 4.532 4.775 -0.243 1
1 36 . 11 1 1 A 13 13 ILE C C 13 173.930 175.750 -1.820 1
1 37 . 11 1 1 A 13 13 ILE CA C 13 59.720 59.677 0.043 1
1 38 . 11 1 1 A 13 13 ILE CB C 13 41.597 39.590 2.007 1
1 42 . 11 1 1 A 13 13 ILE N N 13 117.602 122.097 -4.495 1
1 43 . 11 1 1 A 14 14 LYS H H 14 8.077 8.041 0.036 1
1 44 . 11 1 1 A 14 14 LYS HA H 14 5.110 4.578 0.532 1
1 53 . 11 1 1 A 14 14 LYS C C 14 175.360 175.400 -0.040 1
1 54 . 11 1 1 A 14 14 LYS CA C 14 55.200 56.399 -1.199 1
1 55 . 11 1 1 A 14 14 LYS CB C 14 33.130 32.611 0.519 1
1 59 . 11 1 1 A 14 14 LYS N N 14 122.699 123.048 -0.349 1
1 60 . 11 1 1 A 15 15 LEU H H 15 8.953 8.978 -0.025 1
1 61 . 11 1 1 A 15 15 LEU HA H 15 5.025 5.122 -0.097 1
1 71 . 11 1 1 A 15 15 LEU C C 15 176.400 174.522 1.878 1
1 72 . 11 1 1 A 15 15 LEU CA C 15 53.620 53.637 -0.017 1
1 73 . 11 1 1 A 15 15 LEU CB C 15 45.380 45.586 -0.206 1
1 77 . 11 1 1 A 15 15 LEU N N 15 121.650 127.317 -5.667 1
1 78 . 11 1 1 A 16 16 THR H H 16 8.412 8.932 -0.520 1
1 79 . 11 1 1 A 16 16 THR HA H 16 5.075 5.224 -0.149 1
1 84 . 11 1 1 A 16 16 THR C C 16 173.070 173.840 -0.770 1
1 85 . 11 1 1 A 16 16 THR CA C 16 61.380 62.175 -0.795 1
1 86 . 11 1 1 A 16 16 THR CB C 16 71.700 69.268 2.432 1
1 88 . 11 1 1 A 16 16 THR N N 16 114.701 123.357 -8.656 1
1 89 . 11 1 1 A 17 17 VAL H H 17 9.083 9.192 -0.109 1
1 90 . 11 1 1 A 17 17 VAL HA H 17 4.600 4.429 0.171 1
1 98 . 11 1 1 A 17 17 VAL C C 17 174.570 175.053 -0.483 1
1 99 . 11 1 1 A 17 17 VAL CA C 17 61.005 61.877 -0.872 1
1 100 . 11 1 1 A 17 17 VAL CB C 17 33.600 32.352 1.248 1
1 103 . 11 1 1 A 17 17 VAL N N 17 125.565 128.143 -2.578 1
1 104 . 11 1 1 A 18 18 LYS H H 18 9.183 8.965 0.218 1
1 105 . 11 1 1 A 18 18 LYS HA H 18 5.156 5.217 -0.061 1
1 114 . 11 1 1 A 18 18 LYS C C 18 175.150 175.432 -0.282 1
1 115 . 11 1 1 A 18 18 LYS CA C 18 54.630 55.189 -0.559 1
1 116 . 11 1 1 A 18 18 LYS CB C 18 33.217 32.742 0.475 1
1 120 . 11 1 1 A 18 18 LYS N N 18 129.200 127.717 1.483 1
1 121 . 11 1 1 A 19 19 PHE H H 19 8.927 9.011 -0.084 1
1 122 . 11 1 1 A 19 19 PHE HA H 19 5.377 4.733 0.644 1
1 129 . 11 1 1 A 19 19 PHE C C 19 175.850 175.872 -0.022 1
1 130 . 11 1 1 A 19 19 PHE CA C 19 55.330 56.804 -1.474 1
1 131 . 11 1 1 A 19 19 PHE CB C 19 41.690 37.452 4.238 1
1 136 . 11 1 1 A 19 19 PHE N N 19 126.659 125.038 1.621 1
1 139 . 11 1 1 A 20 20 GLY H H 20 9.275 8.490 0.785 1
1 140 . 11 1 1 A 20 20 GLY HA2 H 20 3.580 3.884 -0.304 1
1 141 . 11 1 1 A 20 20 GLY HA3 H 20 3.578 3.910 -0.332 1
1 142 . 11 1 1 A 20 20 GLY C C 20 175.090 175.099 -0.009 1
1 143 . 11 1 1 A 20 20 GLY CA C 20 47.070 47.210 -0.140 1
1 144 . 11 1 1 A 20 20 GLY N N 20 119.629 114.741 4.888 1
1 145 . 11 1 1 A 21 21 GLY H H 21 8.819 8.865 -0.046 1
1 146 . 11 1 1 A 21 21 GLY HA2 H 21 3.942 3.991 -0.049 1
1 147 . 11 1 1 A 21 21 GLY HA3 H 21 3.942 3.991 -0.049 1
1 148 . 11 1 1 A 21 21 GLY C C 21 173.890 174.157 -0.267 1
1 149 . 11 1 1 A 21 21 GLY CA C 21 45.290 45.131 0.159 1
1 150 . 11 1 1 A 21 21 GLY N N 21 111.500 114.567 -3.067 1
1 151 . 11 1 1 A 22 22 LYS H H 22 7.975 7.678 0.297 1
1 152 . 11 1 1 A 22 22 LYS HA H 22 4.616 4.423 0.193 1
1 161 . 11 1 1 A 22 22 LYS C C 22 175.450 175.691 -0.241 1
1 162 . 11 1 1 A 22 22 LYS CA C 22 55.514 55.501 0.013 1
1 163 . 11 1 1 A 22 22 LYS CB C 22 34.790 32.634 2.156 1
1 167 . 11 1 1 A 22 22 LYS N N 22 121.832 120.556 1.276 1
1 168 . 11 1 1 A 23 23 SER H H 23 8.722 8.652 0.070 1
1 169 . 11 1 1 A 23 23 SER HA H 23 4.841 4.875 -0.034 1
1 172 . 11 1 1 A 23 23 SER C C 23 173.910 173.309 0.601 1
1 173 . 11 1 1 A 23 23 SER CA C 23 58.344 57.681 0.663 1
1 174 . 11 1 1 A 23 23 SER CB C 23 64.237 63.404 0.833 1
1 175 . 11 1 1 A 23 23 SER N N 23 119.004 120.282 -1.278 1
1 176 . 11 1 1 A 24 24 ILE H H 24 9.444 9.157 0.287 1
1 177 . 11 1 1 A 24 24 ILE HA H 24 4.502 4.745 -0.243 1
1 187 . 11 1 1 A 24 24 ILE C C 24 173.590 175.187 -1.597 1
1 188 . 11 1 1 A 24 24 ILE CA C 24 59.145 58.238 0.907 1
1 189 . 11 1 1 A 24 24 ILE CB C 24 40.620 38.324 2.296 1
1 193 . 11 1 1 A 24 24 ILE N N 24 129.205 127.292 1.913 1
1 194 . 11 1 1 A 25 25 PRO HA H 25 5.179 4.847 0.332 1
1 201 . 11 1 1 A 25 25 PRO C C 25 176.750 176.283 0.467 1
1 202 . 11 1 1 A 25 25 PRO CA C 25 61.740 62.215 -0.475 1
1 203 . 11 1 1 A 25 25 PRO CB C 25 32.010 30.023 1.987 1
1 206 . 11 1 1 A 26 26 LEU H H 26 8.720 8.909 -0.189 1
1 207 . 11 1 1 A 26 26 LEU HA H 26 4.731 4.769 -0.038 1
1 217 . 11 1 1 A 26 26 LEU C C 26 175.450 176.130 -0.680 1
1 218 . 11 1 1 A 26 26 LEU CA C 26 54.731 53.749 0.982 1
1 219 . 11 1 1 A 26 26 LEU CB C 26 47.766 42.428 5.338 1
1 223 . 11 1 1 A 26 26 LEU N N 26 122.986 124.242 -1.256 1
1 224 . 11 1 1 A 27 27 SER H H 27 8.404 8.848 -0.444 1
1 225 . 11 1 1 A 27 27 SER HA H 27 5.504 5.592 -0.088 1
1 228 . 11 1 1 A 27 27 SER C C 27 174.498 173.319 1.179 1
1 229 . 11 1 1 A 27 27 SER CA C 27 57.000 57.661 -0.661 1
1 230 . 11 1 1 A 27 27 SER CB C 27 63.850 65.140 -1.290 1
1 231 . 11 1 1 A 27 27 SER N N 27 118.151 117.679 0.472 1
1 232 . 11 1 1 A 28 28 VAL H H 28 8.743 8.686 0.057 1
1 233 . 11 1 1 A 28 28 VAL HA H 28 4.792 5.070 -0.278 1
1 241 . 11 1 1 A 28 28 VAL C C 28 174.250 174.725 -0.475 1
1 242 . 11 1 1 A 28 28 VAL CA C 28 58.792 58.775 0.017 1
1 243 . 11 1 1 A 28 28 VAL CB C 28 36.600 35.417 1.183 1
1 246 . 11 1 1 A 28 28 VAL N N 28 118.097 119.070 -0.973 1
1 247 . 11 1 1 A 29 29 SER H H 29 8.694 8.650 0.044 1
1 248 . 11 1 1 A 29 29 SER HA H 29 4.960 5.027 -0.067 1
1 251 . 11 1 1 A 29 29 SER C C 29 175.159 174.685 0.474 1
1 252 . 11 1 1 A 29 29 SER CA C 29 55.925 56.701 -0.776 1
1 253 . 11 1 1 A 29 29 SER CB C 29 64.080 63.072 1.008 1
1 254 . 11 1 1 A 29 29 SER N N 29 116.965 116.292 0.673 1
1 255 . 11 1 1 A 30 30 PRO HA H 30 4.277 4.491 -0.214 1
1 262 . 11 1 1 A 30 30 PRO C C 30 175.705 177.494 -1.789 1
1 263 . 11 1 1 A 30 30 PRO CA C 30 64.825 64.577 0.248 1
1 264 . 11 1 1 A 30 30 PRO CB C 30 32.074 31.713 0.361 1
1 267 . 11 1 1 A 31 31 ASP H H 31 7.818 8.462 -0.644 1
1 268 . 11 1 1 A 31 31 ASP HA H 31 4.725 4.541 0.184 1
1 271 . 11 1 1 A 31 31 ASP C C 31 175.040 176.478 -1.438 1
1 272 . 11 1 1 A 31 31 ASP CA C 31 54.160 55.063 -0.903 1
1 273 . 11 1 1 A 31 31 ASP CB C 31 41.590 41.561 0.029 1
1 274 . 11 1 1 A 31 31 ASP N N 31 114.503 117.560 -3.057 1
1 275 . 11 1 1 A 32 32 CYS H H 32 7.657 7.470 0.187 1
1 276 . 11 1 1 A 32 32 CYS HA H 32 4.483 4.611 -0.128 1
1 279 . 11 1 1 A 32 32 CYS C C 32 174.805 175.103 -0.298 1
1 280 . 11 1 1 A 32 32 CYS CA C 32 59.510 59.155 0.355 1
1 281 . 11 1 1 A 32 32 CYS CB C 32 28.010 28.524 -0.514 1
1 282 . 11 1 1 A 32 32 CYS N N 32 119.852 118.362 1.490 1
1 283 . 11 1 1 A 33 33 THR H H 33 8.992 8.651 0.341 1
1 284 . 11 1 1 A 33 33 THR HA H 33 4.861 4.782 0.079 1
1 289 . 11 1 1 A 33 33 THR C C 33 176.350 176.224 0.126 1
1 290 . 11 1 1 A 33 33 THR CA C 33 61.165 60.860 0.305 1
1 291 . 11 1 1 A 33 33 THR CB C 33 71.968 71.126 0.842 1
1 293 . 11 1 1 A 33 33 THR N N 33 115.278 114.240 1.038 1
1 294 . 11 1 1 A 34 34 VAL H H 34 8.558 8.567 -0.009 1
1 295 . 11 1 1 A 34 34 VAL HA H 34 3.384 3.853 -0.469 1
1 303 . 11 1 1 A 34 34 VAL C C 34 177.880 177.488 0.392 1
1 304 . 11 1 1 A 34 34 VAL CA C 34 67.050 65.272 1.778 1
1 305 . 11 1 1 A 34 34 VAL CB C 34 31.303 31.500 -0.197 1
1 308 . 11 1 1 A 34 34 VAL N N 34 123.274 119.856 3.418 1
1 309 . 11 1 1 A 35 35 LYS H H 35 8.316 8.032 0.284 1
1 310 . 11 1 1 A 35 35 LYS HA H 35 3.758 3.921 -0.163 1
1 319 . 11 1 1 A 35 35 LYS C C 35 178.180 178.217 -0.037 1
1 320 . 11 1 1 A 35 35 LYS CA C 35 60.812 59.315 1.497 1
1 321 . 11 1 1 A 35 35 LYS CB C 35 32.610 32.063 0.547 1
1 325 . 11 1 1 A 35 35 LYS N N 35 119.813 120.947 -1.134 1
1 326 . 11 1 1 A 36 36 ASP H H 36 7.959 7.903 0.056 1
1 327 . 11 1 1 A 36 36 ASP HA H 36 4.414 4.329 0.085 1
1 330 . 11 1 1 A 36 36 ASP C C 36 179.395 178.702 0.693 1
1 331 . 11 1 1 A 36 36 ASP CA C 36 57.360 57.587 -0.227 1
1 332 . 11 1 1 A 36 36 ASP CB C 36 40.350 42.028 -1.678 1
1 333 . 11 1 1 A 36 36 ASP N N 36 120.728 119.895 0.833 1
1 334 . 11 1 1 A 37 37 LEU H H 37 8.147 8.031 0.116 1
1 335 . 11 1 1 A 37 37 LEU HA H 37 3.976 3.943 0.033 1
1 345 . 11 1 1 A 37 37 LEU C C 37 178.630 179.259 -0.629 1
1 346 . 11 1 1 A 37 37 LEU CA C 37 58.210 58.123 0.087 1
1 347 . 11 1 1 A 37 37 LEU CB C 37 41.470 41.579 -0.109 1
1 351 . 11 1 1 A 37 37 LEU N N 37 123.841 120.009 3.832 1
1 352 . 11 1 1 A 38 38 LYS H H 38 8.308 8.016 0.292 1
1 353 . 11 1 1 A 38 38 LYS HA H 38 4.505 4.299 0.206 1
1 362 . 11 1 1 A 38 38 LYS C C 38 180.780 179.251 1.529 1
1 363 . 11 1 1 A 38 38 LYS CA C 38 59.910 59.649 0.261 1
1 364 . 11 1 1 A 38 38 LYS CB C 38 34.270 31.937 2.333 1
1 368 . 11 1 1 A 38 38 LYS N N 38 117.736 117.956 -0.220 1
1 369 . 11 1 1 A 39 39 SER H H 39 7.952 7.851 0.101 1
1 370 . 11 1 1 A 39 39 SER HA H 39 4.230 4.149 0.081 1
1 373 . 11 1 1 A 39 39 SER C C 39 177.240 177.113 0.127 1
1 374 . 11 1 1 A 39 39 SER CA C 39 62.440 61.426 1.014 1
1 375 . 11 1 1 A 39 39 SER CB C 39 62.670 62.913 -0.243 1
1 376 . 11 1 1 A 39 39 SER N N 39 115.100 114.670 0.430 1
1 377 . 11 1 1 A 40 40 GLN H H 40 7.899 7.536 0.363 1
1 378 . 11 1 1 A 40 40 GLN HA H 40 4.125 4.208 -0.083 1
1 385 . 11 1 1 A 40 40 GLN C C 40 178.330 178.132 0.198 1
1 386 . 11 1 1 A 40 40 GLN CA C 40 59.045 58.676 0.369 1
1 387 . 11 1 1 A 40 40 GLN CB C 40 28.893 28.559 0.334 1
1 389 . 11 1 1 A 40 40 GLN N N 40 121.600 121.689 -0.089 1
1 391 . 11 1 1 A 41 41 LEU H H 41 8.010 8.483 -0.473 1
1 392 . 11 1 1 A 41 41 LEU HA H 41 4.130 4.162 -0.032 1
1 402 . 11 1 1 A 41 41 LEU C C 41 179.980 179.100 0.880 1
1 403 . 11 1 1 A 41 41 LEU CA C 41 56.472 56.569 -0.097 1
1 404 . 11 1 1 A 41 41 LEU CB C 41 42.660 41.829 0.831 1
1 408 . 11 1 1 A 41 41 LEU N N 41 116.657 119.114 -2.457 1
1 409 . 11 1 1 A 42 42 GLN H H 42 7.903 8.099 -0.196 1
1 410 . 11 1 1 A 42 42 GLN HA H 42 4.180 4.528 -0.348 1
1 417 . 11 1 1 A 42 42 GLN C C 42 174.350 174.404 -0.054 1
1 418 . 11 1 1 A 42 42 GLN CA C 42 61.300 61.005 0.295 1
1 419 . 11 1 1 A 42 42 GLN CB C 42 25.250 26.364 -1.114 1
1 421 . 11 1 1 A 42 42 GLN N N 42 125.104 121.189 3.915 1
1 423 . 11 1 1 A 43 43 PRO HA H 43 4.410 4.402 0.008 1
1 430 . 11 1 1 A 43 43 PRO C C 43 177.270 178.728 -1.458 1
1 431 . 11 1 1 A 43 43 PRO CA C 43 65.130 64.971 0.159 1
1 432 . 11 1 1 A 43 43 PRO CB C 43 31.208 31.365 -0.157 1
1 435 . 11 1 1 A 44 44 ILE H H 44 6.568 7.241 -0.673 1
1 436 . 11 1 1 A 44 44 ILE HA H 44 3.959 3.893 0.066 1
1 446 . 11 1 1 A 44 44 ILE C C 44 177.060 177.390 -0.330 1
1 447 . 11 1 1 A 44 44 ILE CA C 44 63.670 63.792 -0.122 1
1 448 . 11 1 1 A 44 44 ILE CB C 44 40.270 37.837 2.433 1
1 452 . 11 1 1 A 44 44 ILE N N 44 114.765 116.921 -2.156 1
1 453 . 11 1 1 A 45 45 THR H H 45 7.826 7.869 -0.043 1
1 454 . 11 1 1 A 45 45 THR HA H 45 4.202 4.208 -0.006 1
1 459 . 11 1 1 A 45 45 THR C C 45 174.990 173.640 1.350 1
1 460 . 11 1 1 A 45 45 THR CA C 45 62.696 61.885 0.811 1
1 461 . 11 1 1 A 45 45 THR CB C 45 71.682 68.825 2.857 1
1 463 . 11 1 1 A 45 45 THR N N 45 107.323 111.948 -4.625 1
1 464 . 11 1 1 A 46 46 ASN H H 46 8.660 7.817 0.843 1
1 465 . 11 1 1 A 46 46 ASN HA H 46 4.381 4.563 -0.182 1
1 470 . 11 1 1 A 46 46 ASN C C 46 173.900 173.280 0.620 1
1 471 . 11 1 1 A 46 46 ASN CA C 46 54.890 54.448 0.442 1
1 472 . 11 1 1 A 46 46 ASN CB C 46 38.207 36.718 1.489 1
1 473 . 11 1 1 A 46 46 ASN N N 46 117.586 117.175 0.411 1
1 475 . 11 1 1 A 47 47 VAL H H 47 7.517 7.357 0.160 1
1 476 . 11 1 1 A 47 47 VAL HA H 47 4.134 4.659 -0.525 1
1 484 . 11 1 1 A 47 47 VAL C C 47 176.140 174.764 1.376 1
1 485 . 11 1 1 A 47 47 VAL CA C 47 61.763 59.986 1.777 1
1 486 . 11 1 1 A 47 47 VAL CB C 47 32.925 34.325 -1.400 1
1 489 . 11 1 1 A 47 47 VAL N N 47 119.901 117.787 2.114 1
1 490 . 11 1 1 A 48 48 LEU H H 48 8.650 8.536 0.114 1
1 491 . 11 1 1 A 48 48 LEU HA H 48 4.194 4.496 -0.302 1
1 501 . 11 1 1 A 48 48 LEU C C 48 177.110 177.035 0.075 1
1 502 . 11 1 1 A 48 48 LEU CA C 48 54.491 53.465 1.026 1
1 503 . 11 1 1 A 48 48 LEU CB C 48 41.171 41.348 -0.177 1
1 507 . 11 1 1 A 48 48 LEU N N 48 128.467 128.758 -0.291 1
1 508 . 11 1 1 A 49 49 PRO HA H 49 3.923 4.225 -0.302 1
1 515 . 11 1 1 A 49 49 PRO C C 49 178.430 178.025 0.405 1
1 516 . 11 1 1 A 49 49 PRO CA C 49 67.000 65.451 1.549 1
1 517 . 11 1 1 A 49 49 PRO CB C 49 32.456 31.959 0.497 1
1 520 . 11 1 1 A 50 50 ARG H H 50 8.331 8.226 0.105 1
1 521 . 11 1 1 A 50 50 ARG HA H 50 4.239 4.030 0.209 1
1 528 . 11 1 1 A 50 50 ARG C C 50 176.940 178.540 -1.600 1
1 529 . 11 1 1 A 50 50 ARG CA C 50 58.130 59.438 -1.308 1
1 530 . 11 1 1 A 50 50 ARG CB C 50 29.200 29.858 -0.658 1
1 533 . 11 1 1 A 50 50 ARG N N 50 114.500 118.519 -4.019 1
1 534 . 11 1 1 A 51 51 GLY H H 51 8.199 7.964 0.235 1
1 535 . 11 1 1 A 51 51 GLY HA2 H 51 3.605 3.988 -0.383 1
1 536 . 11 1 1 A 51 51 GLY HA3 H 51 4.335 3.998 0.337 1
1 537 . 11 1 1 A 51 51 GLY C C 51 173.340 174.332 -0.992 1
1 538 . 11 1 1 A 51 51 GLY CA C 51 44.750 45.599 -0.849 1
1 539 . 11 1 1 A 51 51 GLY N N 51 107.942 106.867 1.075 1
1 540 . 11 1 1 A 52 52 GLN H H 52 7.475 7.436 0.039 1
1 541 . 11 1 1 A 52 52 GLN HA H 52 4.315 4.462 -0.147 1
1 548 . 11 1 1 A 52 52 GLN C C 52 175.770 174.704 1.066 1
1 549 . 11 1 1 A 52 52 GLN CA C 52 56.023 55.052 0.971 1
1 550 . 11 1 1 A 52 52 GLN CB C 52 31.494 28.694 2.800 1
1 552 . 11 1 1 A 52 52 GLN N N 52 119.769 119.748 0.021 1
1 554 . 11 1 1 A 53 53 LYS H H 53 8.586 8.782 -0.196 1
1 555 . 11 1 1 A 53 53 LYS HA H 53 4.500 4.608 -0.108 1
1 564 . 11 1 1 A 53 53 LYS C C 53 174.080 175.414 -1.334 1
1 565 . 11 1 1 A 53 53 LYS CA C 53 55.950 55.270 0.680 1
1 566 . 11 1 1 A 53 53 LYS CB C 53 34.690 32.357 2.333 1
1 570 . 11 1 1 A 53 53 LYS N N 53 123.759 125.493 -1.734 1
1 571 . 11 1 1 A 54 54 LEU H H 54 8.900 8.701 0.199 1
1 572 . 11 1 1 A 54 54 LEU HA H 54 5.271 4.539 0.732 1
1 582 . 11 1 1 A 54 54 LEU C C 54 174.940 175.839 -0.899 1
1 583 . 11 1 1 A 54 54 LEU CA C 54 53.250 54.516 -1.266 1
1 584 . 11 1 1 A 54 54 LEU CB C 54 45.042 41.295 3.747 1
1 588 . 11 1 1 A 54 54 LEU N N 54 126.200 125.852 0.348 1
1 589 . 11 1 1 A 55 55 ILE H H 55 9.330 8.826 0.504 1
1 590 . 11 1 1 A 55 55 ILE HA H 55 4.886 5.149 -0.263 1
1 600 . 11 1 1 A 55 55 ILE C C 55 175.623 174.584 1.039 1
1 601 . 11 1 1 A 55 55 ILE CA C 55 59.402 60.113 -0.711 1
1 602 . 11 1 1 A 55 55 ILE CB C 55 40.270 40.602 -0.332 1
1 606 . 11 1 1 A 55 55 ILE N N 55 123.589 124.608 -1.019 1
1 607 . 11 1 1 A 56 56 PHE H H 56 9.241 9.344 -0.103 1
1 608 . 11 1 1 A 56 56 PHE HA H 56 5.212 4.963 0.249 1
1 615 . 11 1 1 A 56 56 PHE C C 56 174.600 174.816 -0.216 1
1 616 . 11 1 1 A 56 56 PHE CA C 56 55.936 57.292 -1.356 1
1 617 . 11 1 1 A 56 56 PHE CB C 56 42.830 42.354 0.476 1
1 622 . 11 1 1 A 56 56 PHE N N 56 127.423 126.964 0.459 1
1 625 . 11 1 1 A 57 57 LYS H H 57 9.307 8.940 0.367 1
1 626 . 11 1 1 A 57 57 LYS HA H 57 3.630 3.559 0.071 1
1 635 . 11 1 1 A 57 57 LYS C C 57 176.620 176.719 -0.099 1
1 636 . 11 1 1 A 57 57 LYS CA C 57 57.495 57.114 0.381 1
1 637 . 11 1 1 A 57 57 LYS CB C 57 30.100 30.050 0.050 1
1 641 . 11 1 1 A 57 57 LYS N N 57 128.612 127.426 1.186 1
1 642 . 11 1 1 A 58 58 GLY H H 58 8.288 8.600 -0.312 1
1 643 . 11 1 1 A 58 58 GLY HA2 H 58 3.487 3.831 -0.344 1
1 644 . 11 1 1 A 58 58 GLY HA3 H 58 4.098 3.845 0.253 1
1 645 . 11 1 1 A 58 58 GLY C C 58 173.568 173.974 -0.406 1
1 646 . 11 1 1 A 58 58 GLY CA C 58 45.475 45.600 -0.125 1
1 647 . 11 1 1 A 58 58 GLY N N 58 102.757 104.949 -2.192 1
1 648 . 11 1 1 A 59 59 LYS H H 59 7.900 7.788 0.112 1
1 649 . 11 1 1 A 59 59 LYS HA H 59 4.667 4.793 -0.126 1
1 658 . 11 1 1 A 59 59 LYS C C 59 174.830 175.538 -0.708 1
1 659 . 11 1 1 A 59 59 LYS CA C 59 55.222 54.821 0.401 1
1 660 . 11 1 1 A 59 59 LYS CB C 59 35.010 35.347 -0.337 1
1 664 . 11 1 1 A 59 59 LYS N N 59 121.753 120.480 1.273 1
1 665 . 11 1 1 A 60 60 VAL H H 60 8.587 8.502 0.085 1
1 666 . 11 1 1 A 60 60 VAL HA H 60 4.209 4.375 -0.166 1
1 674 . 11 1 1 A 60 60 VAL C C 60 177.380 175.929 1.451 1
1 675 . 11 1 1 A 60 60 VAL CA C 60 63.080 62.734 0.346 1
1 676 . 11 1 1 A 60 60 VAL CB C 60 32.101 32.869 -0.768 1
1 679 . 11 1 1 A 60 60 VAL N N 60 123.795 125.881 -2.086 1
1 680 . 11 1 1 A 61 61 LEU H H 61 8.876 8.708 0.168 1
1 681 . 11 1 1 A 61 61 LEU HA H 61 4.430 4.804 -0.374 1
1 691 . 11 1 1 A 61 61 LEU C C 61 176.660 176.905 -0.245 1
1 692 . 11 1 1 A 61 61 LEU CA C 61 54.760 53.661 1.099 1
1 693 . 11 1 1 A 61 61 LEU CB C 61 43.060 43.424 -0.364 1
1 697 . 11 1 1 A 61 61 LEU N N 61 129.083 128.728 0.355 1
1 698 . 11 1 1 A 62 62 VAL H H 62 8.759 8.370 0.389 1
1 699 . 11 1 1 A 62 62 VAL HA H 62 3.989 4.223 -0.234 1
1 707 . 11 1 1 A 62 62 VAL C C 62 178.390 177.098 1.292 1
1 708 . 11 1 1 A 62 62 VAL CA C 62 63.077 62.490 0.587 1
1 709 . 11 1 1 A 62 62 VAL CB C 62 32.440 32.292 0.148 1
1 712 . 11 1 1 A 62 62 VAL N N 62 124.193 122.943 1.250 1
1 713 . 11 1 1 A 63 63 GLU H H 63 8.806 9.024 -0.218 1
1 714 . 11 1 1 A 63 63 GLU HA H 63 3.757 4.058 -0.301 1
1 719 . 11 1 1 A 63 63 GLU C C 63 176.500 178.337 -1.837 1
1 720 . 11 1 1 A 63 63 GLU CA C 63 60.509 59.593 0.916 1
1 721 . 11 1 1 A 63 63 GLU CB C 63 30.580 29.278 1.302 1
1 723 . 11 1 1 A 63 63 GLU N N 63 125.296 125.137 0.159 1
1 724 . 11 1 1 A 64 64 THR H H 64 7.100 7.603 -0.503 1
1 725 . 11 1 1 A 64 64 THR HA H 64 4.279 4.258 0.021 1
1 730 . 11 1 1 A 64 64 THR C C 64 175.290 174.887 0.403 1
1 731 . 11 1 1 A 64 64 THR CA C 64 61.466 63.320 -1.854 1
1 732 . 11 1 1 A 64 64 THR CB C 64 68.840 69.080 -0.240 1
1 734 . 11 1 1 A 64 64 THR N N 64 102.822 110.974 -8.152 1
1 735 . 11 1 1 A 65 65 SER H H 65 7.749 7.643 0.106 1
1 736 . 11 1 1 A 65 65 SER HA H 65 4.676 4.725 -0.049 1
1 739 . 11 1 1 A 65 65 SER C C 65 174.300 174.531 -0.231 1
1 740 . 11 1 1 A 65 65 SER CA C 65 58.060 57.502 0.558 1
1 741 . 11 1 1 A 65 65 SER CB C 65 64.950 64.520 0.430 1
1 742 . 11 1 1 A 65 65 SER N N 65 117.966 117.335 0.631 1
1 743 . 11 1 1 A 66 66 THR H H 66 8.512 8.529 -0.017 1
1 744 . 11 1 1 A 66 66 THR HA H 66 5.032 4.860 0.172 1
1 750 . 11 1 1 A 66 66 THR C C 66 177.300 176.283 1.017 1
1 751 . 11 1 1 A 66 66 THR CA C 66 60.200 59.996 0.204 1
1 752 . 11 1 1 A 66 66 THR CB C 66 71.550 71.856 -0.306 1
1 754 . 11 1 1 A 66 66 THR N N 66 111.490 113.810 -2.320 1
1 755 . 11 1 1 A 67 67 LEU H H 67 8.451 8.636 -0.185 1
1 756 . 11 1 1 A 67 67 LEU HA H 67 3.753 3.882 -0.129 1
1 766 . 11 1 1 A 67 67 LEU C C 67 179.170 179.133 0.037 1
1 767 . 11 1 1 A 67 67 LEU CA C 67 59.234 58.209 1.025 1
1 768 . 11 1 1 A 67 67 LEU CB C 67 38.897 41.412 -2.515 1
1 772 . 11 1 1 A 67 67 LEU N N 67 122.302 122.349 -0.047 1
1 773 . 11 1 1 A 68 68 LYS H H 68 8.313 8.252 0.061 1
1 774 . 11 1 1 A 68 68 LYS HA H 68 4.090 3.882 0.208 1
1 783 . 11 1 1 A 68 68 LYS C C 68 180.950 179.022 1.928 1
1 784 . 11 1 1 A 68 68 LYS CA C 68 59.620 59.152 0.468 1
1 785 . 11 1 1 A 68 68 LYS CB C 68 32.490 31.901 0.589 1
1 789 . 11 1 1 A 68 68 LYS N N 68 120.066 120.547 -0.481 1
1 790 . 11 1 1 A 69 69 GLN H H 69 8.019 7.901 0.118 1
1 791 . 11 1 1 A 69 69 GLN HA H 69 4.086 4.125 -0.039 1
1 798 . 11 1 1 A 69 69 GLN C C 69 177.840 177.537 0.303 1
1 799 . 11 1 1 A 69 69 GLN CA C 69 58.260 58.687 -0.427 1
1 800 . 11 1 1 A 69 69 GLN CB C 69 28.580 28.508 0.072 1
1 802 . 11 1 1 A 69 69 GLN N N 69 119.594 119.313 0.281 1
1 804 . 11 1 1 A 70 70 SER H H 70 7.544 7.426 0.118 1
1 805 . 11 1 1 A 70 70 SER HA H 70 4.517 4.639 -0.122 1
1 808 . 11 1 1 A 70 70 SER C C 70 171.870 172.879 -1.009 1
1 809 . 11 1 1 A 70 70 SER CA C 70 58.920 58.398 0.522 1
1 810 . 11 1 1 A 70 70 SER CB C 70 64.446 63.486 0.960 1
1 811 . 11 1 1 A 70 70 SER N N 70 114.028 111.666 2.362 1
1 812 . 11 1 1 A 71 71 ASP H H 71 7.882 7.774 0.108 1
1 813 . 11 1 1 A 71 71 ASP HA H 71 4.278 4.340 -0.062 1
1 816 . 11 1 1 A 71 71 ASP C C 71 174.050 175.674 -1.624 1
1 817 . 11 1 1 A 71 71 ASP CA C 71 55.660 55.549 0.111 1
1 818 . 11 1 1 A 71 71 ASP CB C 71 39.540 40.158 -0.618 1
1 819 . 11 1 1 A 71 71 ASP N N 71 116.055 117.847 -1.792 1
1 820 . 11 1 1 A 72 72 VAL H H 72 7.723 7.748 -0.025 1
1 821 . 11 1 1 A 72 72 VAL HA H 72 3.285 3.806 -0.521 1
1 829 . 11 1 1 A 72 72 VAL C C 72 173.980 175.742 -1.762 1
1 830 . 11 1 1 A 72 72 VAL CA C 72 62.744 61.579 1.165 1
1 831 . 11 1 1 A 72 72 VAL CB C 72 30.727 31.604 -0.877 1
1 834 . 11 1 1 A 72 72 VAL N N 72 119.423 119.304 0.119 1
1 835 . 11 1 1 A 73 73 GLY H H 73 7.722 8.517 -0.795 1
1 836 . 11 1 1 A 73 73 GLY HA2 H 73 3.590 4.308 -0.718 1
1 837 . 11 1 1 A 73 73 GLY HA3 H 73 4.416 4.326 0.090 1
1 838 . 11 1 1 A 73 73 GLY C C 73 172.450 172.287 0.163 1
1 839 . 11 1 1 A 73 73 GLY CA C 73 42.820 44.341 -1.521 1
1 840 . 11 1 1 A 73 73 GLY N N 73 114.445 115.470 -1.025 1
1 841 . 11 1 1 A 74 74 SER H H 74 8.552 8.601 -0.049 1
1 842 . 11 1 1 A 74 74 SER HA H 74 4.365 4.311 0.054 1
1 845 . 11 1 1 A 74 74 SER C C 74 177.240 175.102 2.138 1
1 846 . 11 1 1 A 74 74 SER CA C 74 60.420 59.926 0.494 1
1 847 . 11 1 1 A 74 74 SER CB C 74 63.350 62.754 0.596 1
1 848 . 11 1 1 A 74 74 SER N N 74 111.883 115.242 -3.359 1
1 849 . 11 1 1 A 75 75 GLY H H 75 9.718 9.320 0.398 1
1 850 . 11 1 1 A 75 75 GLY HA2 H 75 3.693 3.991 -0.298 1
1 851 . 11 1 1 A 75 75 GLY HA3 H 75 4.328 3.994 0.334 1
1 852 . 11 1 1 A 75 75 GLY C C 75 174.500 174.846 -0.346 1
1 853 . 11 1 1 A 75 75 GLY CA C 75 44.990 45.222 -0.232 1
1 854 . 11 1 1 A 75 75 GLY N N 75 115.986 114.600 1.386 1
1 855 . 11 1 1 A 76 76 ALA H H 76 7.939 7.773 0.166 1
1 856 . 11 1 1 A 76 76 ALA HA H 76 4.363 4.529 -0.166 1
1 860 . 11 1 1 A 76 76 ALA C C 76 176.170 176.327 -0.157 1
1 861 . 11 1 1 A 76 76 ALA CA C 76 53.372 52.255 1.117 1
1 862 . 11 1 1 A 76 76 ALA CB C 76 21.400 20.230 1.170 1
1 863 . 11 1 1 A 76 76 ALA N N 76 123.830 124.005 -0.175 1
1 864 . 11 1 1 A 77 77 LYS H H 77 8.435 8.852 -0.417 1
1 865 . 11 1 1 A 77 77 LYS HA H 77 5.195 5.113 0.082 1
1 874 . 11 1 1 A 77 77 LYS C C 77 175.450 175.402 0.048 1
1 875 . 11 1 1 A 77 77 LYS CA C 77 54.930 54.888 0.042 1
1 876 . 11 1 1 A 77 77 LYS CB C 77 33.520 34.567 -1.047 1
1 880 . 11 1 1 A 77 77 LYS N N 77 120.636 120.742 -0.106 1
1 881 . 11 1 1 A 78 78 LEU H H 78 9.016 9.321 -0.305 1
1 882 . 11 1 1 A 78 78 LEU HA H 78 5.225 4.937 0.288 1
1 892 . 11 1 1 A 78 78 LEU C C 78 175.970 175.873 0.097 1
1 893 . 11 1 1 A 78 78 LEU CA C 78 53.700 53.873 -0.173 1
1 894 . 11 1 1 A 78 78 LEU CB C 78 45.250 43.803 1.447 1
1 898 . 11 1 1 A 78 78 LEU N N 78 123.751 126.002 -2.251 1
1 899 . 11 1 1 A 79 79 MET H H 79 8.983 9.189 -0.206 1
1 900 . 11 1 1 A 79 79 MET HA H 79 5.163 4.837 0.326 1
1 905 . 11 1 1 A 79 79 MET C C 79 173.970 174.837 -0.867 1
1 906 . 11 1 1 A 79 79 MET CA C 79 55.508 54.163 1.345 1
1 907 . 11 1 1 A 79 79 MET CB C 79 35.180 33.670 1.510 1
1 909 . 11 1 1 A 79 79 MET N N 79 120.990 124.752 -3.762 1
1 910 . 11 1 1 A 80 80 LEU H H 80 8.905 8.782 0.123 1
1 911 . 11 1 1 A 80 80 LEU HA H 80 5.235 5.174 0.061 1
1 921 . 11 1 1 A 80 80 LEU C C 80 174.730 175.005 -0.275 1
1 922 . 11 1 1 A 80 80 LEU CA C 80 54.071 53.473 0.598 1
1 923 . 11 1 1 A 80 80 LEU CB C 80 43.540 44.319 -0.779 1
1 927 . 11 1 1 A 81 81 MET H H 81 9.229 9.055 0.174 1
1 928 . 11 1 1 A 81 81 MET HA H 81 4.960 4.839 0.121 1
1 936 . 11 1 1 A 81 81 MET C C 81 174.450 175.304 -0.854 1
1 937 . 11 1 1 A 81 81 MET CA C 81 53.830 54.080 -0.250 1
1 938 . 11 1 1 A 81 81 MET CB C 81 34.810 33.073 1.737 1
1 941 . 11 1 1 A 81 81 MET N N 81 125.712 128.264 -2.552 1
1 942 . 11 1 1 A 82 82 ALA H H 82 8.891 8.393 0.498 1
1 943 . 11 1 1 A 82 82 ALA HA H 82 5.043 4.959 0.084 1
1 947 . 11 1 1 A 82 82 ALA C C 82 177.470 178.075 -0.605 1
1 948 . 11 1 1 A 82 82 ALA CA C 82 51.010 50.636 0.374 1
1 949 . 11 1 1 A 82 82 ALA CB C 82 21.124 22.611 -1.487 1
1 950 . 11 1 1 A 82 82 ALA N N 82 126.315 129.913 -3.598 1
1 951 . 11 1 1 A 83 83 SER H H 83 8.719 8.799 -0.080 1
1 952 . 11 1 1 A 83 83 SER HA H 83 4.497 4.319 0.178 1
1 955 . 11 1 1 A 83 83 SER C C 83 174.360 174.927 -0.567 1
1 956 . 11 1 1 A 83 83 SER CA C 83 58.534 61.164 -2.630 1
1 957 . 11 1 1 A 83 83 SER CB C 83 64.140 63.184 0.956 1
1 958 . 11 1 1 A 83 83 SER N N 83 117.987 114.224 3.763 1
1 959 . 11 1 1 A 84 84 GLN H H 84 8.629 7.752 0.877 1
1 960 . 11 1 1 A 84 84 GLN HA H 84 4.449 4.807 -0.358 1
1 967 . 11 1 1 A 84 84 GLN C C 84 175.370 175.697 -0.327 1
1 968 . 11 1 1 A 84 84 GLN CA C 84 55.890 54.874 1.016 1
1 969 . 11 1 1 A 84 84 GLN CB C 84 29.860 31.268 -1.408 1
1 971 . 11 1 1 A 84 84 GLN N N 84 122.746 118.878 3.868 1
1 1 . 12 1 1 A 10 10 HIS HA H 10 4.506 4.615 -0.109 1
1 4 . 12 1 1 A 10 10 HIS C C 10 176.040 175.430 0.610 1
1 5 . 12 1 1 A 10 10 HIS CA C 10 55.850 57.160 -1.310 1
1 6 . 12 1 1 A 10 10 HIS CB C 10 33.250 31.248 2.002 1
1 7 . 12 1 1 A 11 11 SER H H 11 8.462 7.962 0.500 1
1 8 . 12 1 1 A 11 11 SER HA H 11 4.516 4.644 -0.128 1
1 10 . 12 1 1 A 11 11 SER C C 11 174.050 173.269 0.781 1
1 11 . 12 1 1 A 11 11 SER CA C 11 59.054 57.266 1.788 1
1 12 . 12 1 1 A 11 11 SER CB C 11 63.850 64.257 -0.407 1
1 13 . 12 1 1 A 11 11 SER N N 11 117.900 111.884 6.016 1
1 14 . 12 1 1 A 12 12 THR H H 12 7.923 6.871 1.052 1
1 15 . 12 1 1 A 12 12 THR HA H 12 4.581 5.003 -0.422 1
1 20 . 12 1 1 A 12 12 THR C C 12 174.140 174.245 -0.105 1
1 21 . 12 1 1 A 12 12 THR CA C 12 61.245 60.187 1.058 1
1 22 . 12 1 1 A 12 12 THR CB C 12 71.940 70.611 1.329 1
1 24 . 12 1 1 A 12 12 THR N N 12 112.783 112.839 -0.056 1
1 25 . 12 1 1 A 13 13 ILE H H 13 9.201 9.373 -0.172 1
1 26 . 12 1 1 A 13 13 ILE HA H 13 4.532 4.905 -0.373 1
1 36 . 12 1 1 A 13 13 ILE C C 13 173.930 174.426 -0.496 1
1 37 . 12 1 1 A 13 13 ILE CA C 13 59.720 58.786 0.934 1
1 38 . 12 1 1 A 13 13 ILE CB C 13 41.597 40.390 1.207 1
1 42 . 12 1 1 A 13 13 ILE N N 13 117.602 121.030 -3.428 1
1 43 . 12 1 1 A 14 14 LYS H H 14 8.077 8.637 -0.560 1
1 44 . 12 1 1 A 14 14 LYS HA H 14 5.110 4.753 0.357 1
1 53 . 12 1 1 A 14 14 LYS C C 14 175.360 175.157 0.203 1
1 54 . 12 1 1 A 14 14 LYS CA C 14 55.200 55.820 -0.620 1
1 55 . 12 1 1 A 14 14 LYS CB C 14 33.130 33.146 -0.016 1
1 59 . 12 1 1 A 14 14 LYS N N 14 122.699 123.526 -0.827 1
1 60 . 12 1 1 A 15 15 LEU H H 15 8.953 9.603 -0.650 1
1 61 . 12 1 1 A 15 15 LEU HA H 15 5.025 4.899 0.126 1
1 71 . 12 1 1 A 15 15 LEU C C 15 176.400 176.098 0.302 1
1 72 . 12 1 1 A 15 15 LEU CA C 15 53.620 53.432 0.188 1
1 73 . 12 1 1 A 15 15 LEU CB C 15 45.380 44.242 1.138 1
1 77 . 12 1 1 A 15 15 LEU N N 15 121.650 126.376 -4.726 1
1 78 . 12 1 1 A 16 16 THR H H 16 8.412 8.886 -0.474 1
1 79 . 12 1 1 A 16 16 THR HA H 16 5.075 4.871 0.204 1
1 84 . 12 1 1 A 16 16 THR C C 16 173.070 173.572 -0.502 1
1 85 . 12 1 1 A 16 16 THR CA C 16 61.380 61.726 -0.346 1
1 86 . 12 1 1 A 16 16 THR CB C 16 71.700 70.224 1.476 1
1 88 . 12 1 1 A 16 16 THR N N 16 114.701 118.154 -3.453 1
1 89 . 12 1 1 A 17 17 VAL H H 17 9.083 8.942 0.141 1
1 90 . 12 1 1 A 17 17 VAL HA H 17 4.600 4.164 0.436 1
1 98 . 12 1 1 A 17 17 VAL C C 17 174.570 175.289 -0.719 1
1 99 . 12 1 1 A 17 17 VAL CA C 17 61.005 62.521 -1.516 1
1 100 . 12 1 1 A 17 17 VAL CB C 17 33.600 31.924 1.676 1
1 103 . 12 1 1 A 17 17 VAL N N 17 125.565 127.799 -2.234 1
1 104 . 12 1 1 A 18 18 LYS H H 18 9.183 8.336 0.847 1
1 105 . 12 1 1 A 18 18 LYS HA H 18 5.156 4.911 0.245 1
1 114 . 12 1 1 A 18 18 LYS C C 18 175.150 175.022 0.128 1
1 115 . 12 1 1 A 18 18 LYS CA C 18 54.630 55.105 -0.475 1
1 116 . 12 1 1 A 18 18 LYS CB C 18 33.217 32.919 0.298 1
1 120 . 12 1 1 A 18 18 LYS N N 18 129.200 127.867 1.333 1
1 121 . 12 1 1 A 19 19 PHE H H 19 8.927 8.562 0.365 1
1 122 . 12 1 1 A 19 19 PHE HA H 19 5.377 4.845 0.532 1
1 129 . 12 1 1 A 19 19 PHE C C 19 175.850 176.109 -0.259 1
1 130 . 12 1 1 A 19 19 PHE CA C 19 55.330 57.234 -1.904 1
1 131 . 12 1 1 A 19 19 PHE CB C 19 41.690 39.582 2.108 1
1 136 . 12 1 1 A 19 19 PHE N N 19 126.659 123.813 2.846 1
1 139 . 12 1 1 A 20 20 GLY H H 20 9.275 9.047 0.228 1
1 140 . 12 1 1 A 20 20 GLY HA2 H 20 3.580 3.904 -0.324 1
1 141 . 12 1 1 A 20 20 GLY HA3 H 20 3.578 3.917 -0.339 1
1 142 . 12 1 1 A 20 20 GLY C C 20 175.090 175.090 0.000 1
1 143 . 12 1 1 A 20 20 GLY CA C 20 47.070 47.350 -0.280 1
1 144 . 12 1 1 A 20 20 GLY N N 20 119.629 114.955 4.674 1
1 145 . 12 1 1 A 21 21 GLY H H 21 8.819 8.521 0.298 1
1 146 . 12 1 1 A 21 21 GLY HA2 H 21 3.942 4.100 -0.158 1
1 147 . 12 1 1 A 21 21 GLY HA3 H 21 3.942 4.101 -0.159 1
1 148 . 12 1 1 A 21 21 GLY C C 21 173.890 173.616 0.274 1
1 149 . 12 1 1 A 21 21 GLY CA C 21 45.290 45.173 0.117 1
1 150 . 12 1 1 A 21 21 GLY N N 21 111.500 113.500 -2.000 1
1 151 . 12 1 1 A 22 22 LYS H H 22 7.975 7.906 0.069 1
1 152 . 12 1 1 A 22 22 LYS HA H 22 4.616 4.855 -0.239 1
1 161 . 12 1 1 A 22 22 LYS C C 22 175.450 175.185 0.265 1
1 162 . 12 1 1 A 22 22 LYS CA C 22 55.514 54.393 1.121 1
1 163 . 12 1 1 A 22 22 LYS CB C 22 34.790 34.022 0.768 1
1 167 . 12 1 1 A 22 22 LYS N N 22 121.832 120.253 1.579 1
1 168 . 12 1 1 A 23 23 SER H H 23 8.722 9.016 -0.294 1
1 169 . 12 1 1 A 23 23 SER HA H 23 4.841 5.151 -0.310 1
1 172 . 12 1 1 A 23 23 SER C C 23 173.910 173.071 0.839 1
1 173 . 12 1 1 A 23 23 SER CA C 23 58.344 56.524 1.820 1
1 174 . 12 1 1 A 23 23 SER CB C 23 64.237 64.818 -0.581 1
1 175 . 12 1 1 A 23 23 SER N N 23 119.004 117.139 1.865 1
1 176 . 12 1 1 A 24 24 ILE H H 24 9.444 9.219 0.225 1
1 177 . 12 1 1 A 24 24 ILE HA H 24 4.502 4.688 -0.186 1
1 187 . 12 1 1 A 24 24 ILE C C 24 173.590 174.740 -1.150 1
1 188 . 12 1 1 A 24 24 ILE CA C 24 59.145 58.174 0.971 1
1 189 . 12 1 1 A 24 24 ILE CB C 24 40.620 38.725 1.895 1
1 193 . 12 1 1 A 24 24 ILE N N 24 129.205 127.407 1.798 1
1 194 . 12 1 1 A 25 25 PRO HA H 25 5.179 4.987 0.192 1
1 201 . 12 1 1 A 25 25 PRO C C 25 176.750 175.891 0.859 1
1 202 . 12 1 1 A 25 25 PRO CA C 25 61.740 61.946 -0.206 1
1 203 . 12 1 1 A 25 25 PRO CB C 25 32.010 31.547 0.463 1
1 206 . 12 1 1 A 26 26 LEU H H 26 8.720 8.627 0.093 1
1 207 . 12 1 1 A 26 26 LEU HA H 26 4.731 4.840 -0.109 1
1 217 . 12 1 1 A 26 26 LEU C C 26 175.450 175.236 0.214 1
1 218 . 12 1 1 A 26 26 LEU CA C 26 54.731 53.621 1.110 1
1 219 . 12 1 1 A 26 26 LEU CB C 26 47.766 44.139 3.627 1
1 223 . 12 1 1 A 26 26 LEU N N 26 122.986 124.838 -1.852 1
1 224 . 12 1 1 A 27 27 SER H H 27 8.404 8.929 -0.525 1
1 225 . 12 1 1 A 27 27 SER HA H 27 5.504 5.553 -0.049 1
1 228 . 12 1 1 A 27 27 SER C C 27 174.498 173.418 1.080 1
1 229 . 12 1 1 A 27 27 SER CA C 27 57.000 56.831 0.169 1
1 230 . 12 1 1 A 27 27 SER CB C 27 63.850 64.002 -0.152 1
1 231 . 12 1 1 A 27 27 SER N N 27 118.151 119.827 -1.676 1
1 232 . 12 1 1 A 28 28 VAL H H 28 8.743 8.334 0.409 1
1 233 . 12 1 1 A 28 28 VAL HA H 28 4.792 4.917 -0.125 1
1 241 . 12 1 1 A 28 28 VAL C C 28 174.250 175.141 -0.891 1
1 242 . 12 1 1 A 28 28 VAL CA C 28 58.792 59.840 -1.048 1
1 243 . 12 1 1 A 28 28 VAL CB C 28 36.600 34.286 2.314 1
1 246 . 12 1 1 A 28 28 VAL N N 28 118.097 122.351 -4.254 1
1 247 . 12 1 1 A 29 29 SER H H 29 8.694 8.752 -0.058 1
1 248 . 12 1 1 A 29 29 SER HA H 29 4.960 4.930 0.030 1
1 251 . 12 1 1 A 29 29 SER C C 29 175.159 174.657 0.502 1
1 252 . 12 1 1 A 29 29 SER CA C 29 55.925 56.446 -0.521 1
1 253 . 12 1 1 A 29 29 SER CB C 29 64.080 63.193 0.887 1
1 254 . 12 1 1 A 29 29 SER N N 29 116.965 115.740 1.225 1
1 255 . 12 1 1 A 30 30 PRO HA H 30 4.277 4.442 -0.165 1
1 262 . 12 1 1 A 30 30 PRO C C 30 175.705 177.439 -1.734 1
1 263 . 12 1 1 A 30 30 PRO CA C 30 64.825 64.512 0.313 1
1 264 . 12 1 1 A 30 30 PRO CB C 30 32.074 31.709 0.365 1
1 267 . 12 1 1 A 31 31 ASP H H 31 7.818 8.636 -0.818 1
1 268 . 12 1 1 A 31 31 ASP HA H 31 4.725 4.374 0.351 1
1 271 . 12 1 1 A 31 31 ASP C C 31 175.040 177.182 -2.142 1
1 272 . 12 1 1 A 31 31 ASP CA C 31 54.160 56.315 -2.155 1
1 273 . 12 1 1 A 31 31 ASP CB C 31 41.590 40.789 0.801 1
1 274 . 12 1 1 A 31 31 ASP N N 31 114.503 118.036 -3.533 1
1 275 . 12 1 1 A 32 32 CYS H H 32 7.657 7.574 0.083 1
1 276 . 12 1 1 A 32 32 CYS HA H 32 4.483 4.541 -0.058 1
1 279 . 12 1 1 A 32 32 CYS C C 32 174.805 175.103 -0.298 1
1 280 . 12 1 1 A 32 32 CYS CA C 32 59.510 59.344 0.166 1
1 281 . 12 1 1 A 32 32 CYS CB C 32 28.010 28.226 -0.216 1
1 282 . 12 1 1 A 32 32 CYS N N 32 119.852 118.838 1.014 1
1 283 . 12 1 1 A 33 33 THR H H 33 8.992 8.610 0.382 1
1 284 . 12 1 1 A 33 33 THR HA H 33 4.861 4.789 0.072 1
1 289 . 12 1 1 A 33 33 THR C C 33 176.350 176.227 0.123 1
1 290 . 12 1 1 A 33 33 THR CA C 33 61.165 60.432 0.733 1
1 291 . 12 1 1 A 33 33 THR CB C 33 71.968 71.306 0.662 1
1 293 . 12 1 1 A 33 33 THR N N 33 115.278 113.876 1.402 1
1 294 . 12 1 1 A 34 34 VAL H H 34 8.558 8.840 -0.282 1
1 295 . 12 1 1 A 34 34 VAL HA H 34 3.384 3.819 -0.435 1
1 303 . 12 1 1 A 34 34 VAL C C 34 177.880 177.657 0.223 1
1 304 . 12 1 1 A 34 34 VAL CA C 34 67.050 65.395 1.655 1
1 305 . 12 1 1 A 34 34 VAL CB C 34 31.303 31.421 -0.118 1
1 308 . 12 1 1 A 34 34 VAL N N 34 123.274 119.692 3.582 1
1 309 . 12 1 1 A 35 35 LYS H H 35 8.316 7.921 0.395 1
1 310 . 12 1 1 A 35 35 LYS HA H 35 3.758 3.912 -0.154 1
1 319 . 12 1 1 A 35 35 LYS C C 35 178.180 178.364 -0.184 1
1 320 . 12 1 1 A 35 35 LYS CA C 35 60.812 59.212 1.600 1
1 321 . 12 1 1 A 35 35 LYS CB C 35 32.610 32.005 0.605 1
1 325 . 12 1 1 A 35 35 LYS N N 35 119.813 121.052 -1.239 1
1 326 . 12 1 1 A 36 36 ASP H H 36 7.959 8.016 -0.057 1
1 327 . 12 1 1 A 36 36 ASP HA H 36 4.414 4.341 0.073 1
1 330 . 12 1 1 A 36 36 ASP C C 36 179.395 178.806 0.589 1
1 331 . 12 1 1 A 36 36 ASP CA C 36 57.360 57.650 -0.290 1
1 332 . 12 1 1 A 36 36 ASP CB C 36 40.350 42.145 -1.795 1
1 333 . 12 1 1 A 36 36 ASP N N 36 120.728 119.827 0.901 1
1 334 . 12 1 1 A 37 37 LEU H H 37 8.147 8.002 0.145 1
1 335 . 12 1 1 A 37 37 LEU HA H 37 3.976 3.971 0.005 1
1 345 . 12 1 1 A 37 37 LEU C C 37 178.630 179.489 -0.859 1
1 346 . 12 1 1 A 37 37 LEU CA C 37 58.210 57.983 0.227 1
1 347 . 12 1 1 A 37 37 LEU CB C 37 41.470 41.686 -0.216 1
1 351 . 12 1 1 A 37 37 LEU N N 37 123.841 120.090 3.751 1
1 352 . 12 1 1 A 38 38 LYS H H 38 8.308 8.033 0.275 1
1 353 . 12 1 1 A 38 38 LYS HA H 38 4.505 4.138 0.367 1
1 362 . 12 1 1 A 38 38 LYS C C 38 180.780 179.570 1.210 1
1 363 . 12 1 1 A 38 38 LYS CA C 38 59.910 58.984 0.926 1
1 364 . 12 1 1 A 38 38 LYS CB C 38 34.270 32.129 2.141 1
1 368 . 12 1 1 A 38 38 LYS N N 38 117.736 118.052 -0.316 1
1 369 . 12 1 1 A 39 39 SER H H 39 7.952 7.937 0.015 1
1 370 . 12 1 1 A 39 39 SER HA H 39 4.230 4.241 -0.011 1
1 373 . 12 1 1 A 39 39 SER C C 39 177.240 176.797 0.443 1
1 374 . 12 1 1 A 39 39 SER CA C 39 62.440 61.457 0.983 1
1 375 . 12 1 1 A 39 39 SER CB C 39 62.670 63.251 -0.581 1
1 376 . 12 1 1 A 39 39 SER N N 39 115.100 117.397 -2.297 1
1 377 . 12 1 1 A 40 40 GLN H H 40 7.899 7.426 0.473 1
1 378 . 12 1 1 A 40 40 GLN HA H 40 4.125 4.161 -0.036 1
1 385 . 12 1 1 A 40 40 GLN C C 40 178.330 179.038 -0.708 1
1 386 . 12 1 1 A 40 40 GLN CA C 40 59.045 58.626 0.419 1
1 387 . 12 1 1 A 40 40 GLN CB C 40 28.893 28.320 0.573 1
1 389 . 12 1 1 A 40 40 GLN N N 40 121.600 121.444 0.156 1
1 391 . 12 1 1 A 41 41 LEU H H 41 8.010 8.655 -0.645 1
1 392 . 12 1 1 A 41 41 LEU HA H 41 4.130 4.154 -0.024 1
1 402 . 12 1 1 A 41 41 LEU C C 41 179.980 179.258 0.722 1
1 403 . 12 1 1 A 41 41 LEU CA C 41 56.472 57.090 -0.618 1
1 404 . 12 1 1 A 41 41 LEU CB C 41 42.660 41.377 1.283 1
1 408 . 12 1 1 A 41 41 LEU N N 41 116.657 119.770 -3.113 1
1 409 . 12 1 1 A 42 42 GLN H H 42 7.903 8.329 -0.426 1
1 410 . 12 1 1 A 42 42 GLN HA H 42 4.180 4.179 0.001 1
1 417 . 12 1 1 A 42 42 GLN C C 42 174.350 174.556 -0.206 1
1 418 . 12 1 1 A 42 42 GLN CA C 42 61.300 60.989 0.311 1
1 419 . 12 1 1 A 42 42 GLN CB C 42 25.250 26.230 -0.980 1
1 421 . 12 1 1 A 42 42 GLN N N 42 125.104 120.674 4.430 1
1 423 . 12 1 1 A 43 43 PRO HA H 43 4.410 4.401 0.009 1
1 430 . 12 1 1 A 43 43 PRO C C 43 177.270 178.618 -1.348 1
1 431 . 12 1 1 A 43 43 PRO CA C 43 65.130 65.084 0.046 1
1 432 . 12 1 1 A 43 43 PRO CB C 43 31.208 31.321 -0.113 1
1 435 . 12 1 1 A 44 44 ILE H H 44 6.568 7.434 -0.866 1
1 436 . 12 1 1 A 44 44 ILE HA H 44 3.959 3.939 0.020 1
1 446 . 12 1 1 A 44 44 ILE C C 44 177.060 177.659 -0.599 1
1 447 . 12 1 1 A 44 44 ILE CA C 44 63.670 63.622 0.048 1
1 448 . 12 1 1 A 44 44 ILE CB C 44 40.270 38.676 1.594 1
1 452 . 12 1 1 A 44 44 ILE N N 44 114.765 116.697 -1.932 1
1 453 . 12 1 1 A 45 45 THR H H 45 7.826 7.572 0.254 1
1 454 . 12 1 1 A 45 45 THR HA H 45 4.202 4.281 -0.079 1
1 459 . 12 1 1 A 45 45 THR C C 45 174.990 175.019 -0.029 1
1 460 . 12 1 1 A 45 45 THR CA C 45 62.696 61.283 1.413 1
1 461 . 12 1 1 A 45 45 THR CB C 45 71.682 69.713 1.969 1
1 463 . 12 1 1 A 45 45 THR N N 45 107.323 108.740 -1.417 1
1 464 . 12 1 1 A 46 46 ASN H H 46 8.660 8.335 0.325 1
1 465 . 12 1 1 A 46 46 ASN HA H 46 4.381 4.467 -0.086 1
1 470 . 12 1 1 A 46 46 ASN C C 46 173.900 174.379 -0.479 1
1 471 . 12 1 1 A 46 46 ASN CA C 46 54.890 54.513 0.377 1
1 472 . 12 1 1 A 46 46 ASN CB C 46 38.207 37.169 1.038 1
1 473 . 12 1 1 A 46 46 ASN N N 46 117.586 116.499 1.087 1
1 475 . 12 1 1 A 47 47 VAL H H 47 7.517 7.770 -0.253 1
1 476 . 12 1 1 A 47 47 VAL HA H 47 4.134 4.034 0.100 1
1 484 . 12 1 1 A 47 47 VAL C C 47 176.140 175.357 0.783 1
1 485 . 12 1 1 A 47 47 VAL CA C 47 61.763 62.114 -0.351 1
1 486 . 12 1 1 A 47 47 VAL CB C 47 32.925 32.091 0.834 1
1 489 . 12 1 1 A 47 47 VAL N N 47 119.901 119.453 0.448 1
1 490 . 12 1 1 A 48 48 LEU H H 48 8.650 8.456 0.194 1
1 491 . 12 1 1 A 48 48 LEU HA H 48 4.194 4.358 -0.164 1
1 501 . 12 1 1 A 48 48 LEU C C 48 177.110 177.306 -0.196 1
1 502 . 12 1 1 A 48 48 LEU CA C 48 54.491 53.828 0.663 1
1 503 . 12 1 1 A 48 48 LEU CB C 48 41.171 41.682 -0.511 1
1 507 . 12 1 1 A 48 48 LEU N N 48 128.467 127.468 0.999 1
1 508 . 12 1 1 A 49 49 PRO HA H 49 3.923 4.347 -0.424 1
1 515 . 12 1 1 A 49 49 PRO C C 49 178.430 177.998 0.432 1
1 516 . 12 1 1 A 49 49 PRO CA C 49 67.000 64.853 2.147 1
1 517 . 12 1 1 A 49 49 PRO CB C 49 32.456 32.098 0.358 1
1 520 . 12 1 1 A 50 50 ARG H H 50 8.331 8.178 0.153 1
1 521 . 12 1 1 A 50 50 ARG HA H 50 4.239 4.043 0.196 1
1 528 . 12 1 1 A 50 50 ARG C C 50 176.940 178.752 -1.812 1
1 529 . 12 1 1 A 50 50 ARG CA C 50 58.130 59.314 -1.184 1
1 530 . 12 1 1 A 50 50 ARG CB C 50 29.200 29.707 -0.507 1
1 533 . 12 1 1 A 50 50 ARG N N 50 114.500 118.518 -4.018 1
1 534 . 12 1 1 A 51 51 GLY H H 51 8.199 8.048 0.151 1
1 535 . 12 1 1 A 51 51 GLY HA2 H 51 3.605 4.003 -0.398 1
1 536 . 12 1 1 A 51 51 GLY HA3 H 51 4.335 4.010 0.325 1
1 537 . 12 1 1 A 51 51 GLY C C 51 173.340 174.679 -1.339 1
1 538 . 12 1 1 A 51 51 GLY CA C 51 44.750 46.126 -1.376 1
1 539 . 12 1 1 A 51 51 GLY N N 51 107.942 107.177 0.765 1
1 540 . 12 1 1 A 52 52 GLN H H 52 7.475 7.790 -0.315 1
1 541 . 12 1 1 A 52 52 GLN HA H 52 4.315 4.381 -0.066 1
1 548 . 12 1 1 A 52 52 GLN C C 52 175.770 175.141 0.629 1
1 549 . 12 1 1 A 52 52 GLN CA C 52 56.023 55.155 0.868 1
1 550 . 12 1 1 A 52 52 GLN CB C 52 31.494 28.574 2.920 1
1 552 . 12 1 1 A 52 52 GLN N N 52 119.769 119.321 0.448 1
1 554 . 12 1 1 A 53 53 LYS H H 53 8.586 8.554 0.032 1
1 555 . 12 1 1 A 53 53 LYS HA H 53 4.500 4.588 -0.088 1
1 564 . 12 1 1 A 53 53 LYS C C 53 174.080 175.370 -1.290 1
1 565 . 12 1 1 A 53 53 LYS CA C 53 55.950 55.467 0.483 1
1 566 . 12 1 1 A 53 53 LYS CB C 53 34.690 32.108 2.582 1
1 570 . 12 1 1 A 53 53 LYS N N 53 123.759 125.268 -1.509 1
1 571 . 12 1 1 A 54 54 LEU H H 54 8.900 8.654 0.246 1
1 572 . 12 1 1 A 54 54 LEU HA H 54 5.271 4.701 0.570 1
1 582 . 12 1 1 A 54 54 LEU C C 54 174.940 175.989 -1.049 1
1 583 . 12 1 1 A 54 54 LEU CA C 54 53.250 54.545 -1.295 1
1 584 . 12 1 1 A 54 54 LEU CB C 54 45.042 40.741 4.301 1
1 588 . 12 1 1 A 54 54 LEU N N 54 126.200 125.827 0.373 1
1 589 . 12 1 1 A 55 55 ILE H H 55 9.330 8.970 0.360 1
1 590 . 12 1 1 A 55 55 ILE HA H 55 4.886 5.000 -0.114 1
1 600 . 12 1 1 A 55 55 ILE C C 55 175.623 174.851 0.772 1
1 601 . 12 1 1 A 55 55 ILE CA C 55 59.402 60.550 -1.148 1
1 602 . 12 1 1 A 55 55 ILE CB C 55 40.270 39.157 1.113 1
1 606 . 12 1 1 A 55 55 ILE N N 55 123.589 125.417 -1.828 1
1 607 . 12 1 1 A 56 56 PHE H H 56 9.241 9.410 -0.169 1
1 608 . 12 1 1 A 56 56 PHE HA H 56 5.212 4.936 0.276 1
1 615 . 12 1 1 A 56 56 PHE C C 56 174.600 174.790 -0.190 1
1 616 . 12 1 1 A 56 56 PHE CA C 56 55.936 57.250 -1.314 1
1 617 . 12 1 1 A 56 56 PHE CB C 56 42.830 42.172 0.658 1
1 622 . 12 1 1 A 56 56 PHE N N 56 127.423 127.180 0.243 1
1 625 . 12 1 1 A 57 57 LYS H H 57 9.307 9.375 -0.068 1
1 626 . 12 1 1 A 57 57 LYS HA H 57 3.630 3.595 0.035 1
1 635 . 12 1 1 A 57 57 LYS C C 57 176.620 176.682 -0.062 1
1 636 . 12 1 1 A 57 57 LYS CA C 57 57.495 57.182 0.313 1
1 637 . 12 1 1 A 57 57 LYS CB C 57 30.100 29.948 0.152 1
1 641 . 12 1 1 A 57 57 LYS N N 57 128.612 128.012 0.600 1
1 642 . 12 1 1 A 58 58 GLY H H 58 8.288 8.549 -0.261 1
1 643 . 12 1 1 A 58 58 GLY HA2 H 58 3.487 3.820 -0.333 1
1 644 . 12 1 1 A 58 58 GLY HA3 H 58 4.098 3.832 0.266 1
1 645 . 12 1 1 A 58 58 GLY C C 58 173.568 173.686 -0.118 1
1 646 . 12 1 1 A 58 58 GLY CA C 58 45.475 45.364 0.111 1
1 647 . 12 1 1 A 58 58 GLY N N 58 102.757 105.188 -2.431 1
1 648 . 12 1 1 A 59 59 LYS H H 59 7.900 7.749 0.151 1
1 649 . 12 1 1 A 59 59 LYS HA H 59 4.667 4.695 -0.028 1
1 658 . 12 1 1 A 59 59 LYS C C 59 174.830 175.601 -0.771 1
1 659 . 12 1 1 A 59 59 LYS CA C 59 55.222 54.749 0.473 1
1 660 . 12 1 1 A 59 59 LYS CB C 59 35.010 35.012 -0.002 1
1 664 . 12 1 1 A 59 59 LYS N N 59 121.753 121.096 0.657 1
1 665 . 12 1 1 A 60 60 VAL H H 60 8.587 8.549 0.038 1
1 666 . 12 1 1 A 60 60 VAL HA H 60 4.209 4.483 -0.274 1
1 674 . 12 1 1 A 60 60 VAL C C 60 177.380 175.873 1.507 1
1 675 . 12 1 1 A 60 60 VAL CA C 60 63.080 62.447 0.633 1
1 676 . 12 1 1 A 60 60 VAL CB C 60 32.101 32.558 -0.457 1
1 679 . 12 1 1 A 60 60 VAL N N 60 123.795 126.673 -2.878 1
1 680 . 12 1 1 A 61 61 LEU H H 61 8.876 8.778 0.098 1
1 681 . 12 1 1 A 61 61 LEU HA H 61 4.430 4.646 -0.216 1
1 691 . 12 1 1 A 61 61 LEU C C 61 176.660 177.219 -0.559 1
1 692 . 12 1 1 A 61 61 LEU CA C 61 54.760 53.826 0.934 1
1 693 . 12 1 1 A 61 61 LEU CB C 61 43.060 42.665 0.395 1
1 697 . 12 1 1 A 61 61 LEU N N 61 129.083 128.932 0.151 1
1 698 . 12 1 1 A 62 62 VAL H H 62 8.759 8.681 0.078 1
1 699 . 12 1 1 A 62 62 VAL HA H 62 3.989 3.958 0.031 1
1 707 . 12 1 1 A 62 62 VAL C C 62 178.390 176.317 2.073 1
1 708 . 12 1 1 A 62 62 VAL CA C 62 63.077 63.613 -0.536 1
1 709 . 12 1 1 A 62 62 VAL CB C 62 32.440 32.235 0.205 1
1 712 . 12 1 1 A 62 62 VAL N N 62 124.193 123.907 0.286 1
1 713 . 12 1 1 A 63 63 GLU H H 63 8.806 8.925 -0.119 1
1 714 . 12 1 1 A 63 63 GLU HA H 63 3.757 4.087 -0.330 1
1 719 . 12 1 1 A 63 63 GLU C C 63 176.500 177.736 -1.236 1
1 720 . 12 1 1 A 63 63 GLU CA C 63 60.509 59.644 0.865 1
1 721 . 12 1 1 A 63 63 GLU CB C 63 30.580 29.261 1.319 1
1 723 . 12 1 1 A 63 63 GLU N N 63 125.296 125.755 -0.459 1
1 724 . 12 1 1 A 64 64 THR H H 64 7.100 7.576 -0.476 1
1 725 . 12 1 1 A 64 64 THR HA H 64 4.279 4.309 -0.030 1
1 730 . 12 1 1 A 64 64 THR C C 64 175.290 174.583 0.707 1
1 731 . 12 1 1 A 64 64 THR CA C 64 61.466 62.365 -0.899 1
1 732 . 12 1 1 A 64 64 THR CB C 64 68.840 69.489 -0.649 1
1 734 . 12 1 1 A 64 64 THR N N 64 102.822 110.555 -7.733 1
1 735 . 12 1 1 A 65 65 SER H H 65 7.749 7.896 -0.147 1
1 736 . 12 1 1 A 65 65 SER HA H 65 4.676 5.013 -0.337 1
1 739 . 12 1 1 A 65 65 SER C C 65 174.300 174.443 -0.143 1
1 740 . 12 1 1 A 65 65 SER CA C 65 58.060 57.815 0.245 1
1 741 . 12 1 1 A 65 65 SER CB C 65 64.950 64.286 0.664 1
1 742 . 12 1 1 A 65 65 SER N N 65 117.966 118.141 -0.175 1
1 743 . 12 1 1 A 66 66 THR H H 66 8.512 8.831 -0.319 1
1 744 . 12 1 1 A 66 66 THR HA H 66 5.032 4.913 0.119 1
1 750 . 12 1 1 A 66 66 THR C C 66 177.300 176.147 1.153 1
1 751 . 12 1 1 A 66 66 THR CA C 66 60.200 60.602 -0.402 1
1 752 . 12 1 1 A 66 66 THR CB C 66 71.550 71.501 0.049 1
1 754 . 12 1 1 A 66 66 THR N N 66 111.490 115.752 -4.262 1
1 755 . 12 1 1 A 67 67 LEU H H 67 8.451 8.548 -0.097 1
1 756 . 12 1 1 A 67 67 LEU HA H 67 3.753 4.162 -0.409 1
1 766 . 12 1 1 A 67 67 LEU C C 67 179.170 179.030 0.140 1
1 767 . 12 1 1 A 67 67 LEU CA C 67 59.234 58.189 1.045 1
1 768 . 12 1 1 A 67 67 LEU CB C 67 38.897 41.424 -2.527 1
1 772 . 12 1 1 A 67 67 LEU N N 67 122.302 122.760 -0.458 1
1 773 . 12 1 1 A 68 68 LYS H H 68 8.313 8.024 0.289 1
1 774 . 12 1 1 A 68 68 LYS HA H 68 4.090 3.961 0.129 1
1 783 . 12 1 1 A 68 68 LYS C C 68 180.950 179.055 1.895 1
1 784 . 12 1 1 A 68 68 LYS CA C 68 59.620 59.696 -0.076 1
1 785 . 12 1 1 A 68 68 LYS CB C 68 32.490 32.397 0.093 1
1 789 . 12 1 1 A 68 68 LYS N N 68 120.066 120.626 -0.560 1
1 790 . 12 1 1 A 69 69 GLN H H 69 8.019 7.896 0.123 1
1 791 . 12 1 1 A 69 69 GLN HA H 69 4.086 4.123 -0.037 1
1 798 . 12 1 1 A 69 69 GLN C C 69 177.840 177.489 0.351 1
1 799 . 12 1 1 A 69 69 GLN CA C 69 58.260 58.649 -0.389 1
1 800 . 12 1 1 A 69 69 GLN CB C 69 28.580 28.533 0.047 1
1 802 . 12 1 1 A 69 69 GLN N N 69 119.594 119.278 0.316 1
1 804 . 12 1 1 A 70 70 SER H H 70 7.544 7.643 -0.099 1
1 805 . 12 1 1 A 70 70 SER HA H 70 4.517 4.429 0.088 1
1 808 . 12 1 1 A 70 70 SER C C 70 171.870 174.268 -2.398 1
1 809 . 12 1 1 A 70 70 SER CA C 70 58.920 58.429 0.491 1
1 810 . 12 1 1 A 70 70 SER CB C 70 64.446 63.284 1.162 1
1 811 . 12 1 1 A 70 70 SER N N 70 114.028 112.034 1.994 1
1 812 . 12 1 1 A 71 71 ASP H H 71 7.882 7.995 -0.113 1
1 813 . 12 1 1 A 71 71 ASP HA H 71 4.278 4.419 -0.141 1
1 816 . 12 1 1 A 71 71 ASP C C 71 174.050 175.343 -1.293 1
1 817 . 12 1 1 A 71 71 ASP CA C 71 55.660 55.735 -0.075 1
1 818 . 12 1 1 A 71 71 ASP CB C 71 39.540 39.713 -0.173 1
1 819 . 12 1 1 A 71 71 ASP N N 71 116.055 116.665 -0.610 1
1 820 . 12 1 1 A 72 72 VAL H H 72 7.723 7.874 -0.151 1
1 821 . 12 1 1 A 72 72 VAL HA H 72 3.285 3.740 -0.455 1
1 829 . 12 1 1 A 72 72 VAL C C 72 173.980 175.466 -1.486 1
1 830 . 12 1 1 A 72 72 VAL CA C 72 62.744 61.877 0.867 1
1 831 . 12 1 1 A 72 72 VAL CB C 72 30.727 30.905 -0.178 1
1 834 . 12 1 1 A 72 72 VAL N N 72 119.423 119.893 -0.470 1
1 835 . 12 1 1 A 73 73 GLY H H 73 7.722 8.588 -0.866 1
1 836 . 12 1 1 A 73 73 GLY HA2 H 73 3.590 4.132 -0.542 1
1 837 . 12 1 1 A 73 73 GLY HA3 H 73 4.416 4.155 0.261 1
1 838 . 12 1 1 A 73 73 GLY C C 73 172.450 173.601 -1.151 1
1 839 . 12 1 1 A 73 73 GLY CA C 73 42.820 44.123 -1.303 1
1 840 . 12 1 1 A 73 73 GLY N N 73 114.445 116.002 -1.557 1
1 841 . 12 1 1 A 74 74 SER H H 74 8.552 8.433 0.119 1
1 842 . 12 1 1 A 74 74 SER HA H 74 4.365 4.409 -0.044 1
1 845 . 12 1 1 A 74 74 SER C C 74 177.240 175.212 2.028 1
1 846 . 12 1 1 A 74 74 SER CA C 74 60.420 59.304 1.116 1
1 847 . 12 1 1 A 74 74 SER CB C 74 63.350 62.512 0.838 1
1 848 . 12 1 1 A 74 74 SER N N 74 111.883 114.181 -2.298 1
1 849 . 12 1 1 A 75 75 GLY H H 75 9.718 8.674 1.044 1
1 850 . 12 1 1 A 75 75 GLY HA2 H 75 3.693 4.051 -0.358 1
1 851 . 12 1 1 A 75 75 GLY HA3 H 75 4.328 4.059 0.269 1
1 852 . 12 1 1 A 75 75 GLY C C 75 174.500 174.278 0.222 1
1 853 . 12 1 1 A 75 75 GLY CA C 75 44.990 46.397 -1.407 1
1 854 . 12 1 1 A 75 75 GLY N N 75 115.986 112.951 3.035 1
1 855 . 12 1 1 A 76 76 ALA H H 76 7.939 7.476 0.463 1
1 856 . 12 1 1 A 76 76 ALA HA H 76 4.363 5.001 -0.638 1
1 860 . 12 1 1 A 76 76 ALA C C 76 176.170 175.640 0.530 1
1 861 . 12 1 1 A 76 76 ALA CA C 76 53.372 50.565 2.807 1
1 862 . 12 1 1 A 76 76 ALA CB C 76 21.400 22.191 -0.791 1
1 863 . 12 1 1 A 76 76 ALA N N 76 123.830 122.327 1.503 1
1 864 . 12 1 1 A 77 77 LYS H H 77 8.435 8.831 -0.396 1
1 865 . 12 1 1 A 77 77 LYS HA H 77 5.195 4.893 0.302 1
1 874 . 12 1 1 A 77 77 LYS C C 77 175.450 175.731 -0.281 1
1 875 . 12 1 1 A 77 77 LYS CA C 77 54.930 55.991 -1.061 1
1 876 . 12 1 1 A 77 77 LYS CB C 77 33.520 33.509 0.011 1
1 880 . 12 1 1 A 77 77 LYS N N 77 120.636 123.259 -2.623 1
1 881 . 12 1 1 A 78 78 LEU H H 78 9.016 9.557 -0.541 1
1 882 . 12 1 1 A 78 78 LEU HA H 78 5.225 4.986 0.239 1
1 892 . 12 1 1 A 78 78 LEU C C 78 175.970 175.139 0.831 1
1 893 . 12 1 1 A 78 78 LEU CA C 78 53.700 53.614 0.086 1
1 894 . 12 1 1 A 78 78 LEU CB C 78 45.250 42.265 2.985 1
1 898 . 12 1 1 A 78 78 LEU N N 78 123.751 126.922 -3.171 1
1 899 . 12 1 1 A 79 79 MET H H 79 8.983 8.806 0.177 1
1 900 . 12 1 1 A 79 79 MET HA H 79 5.163 4.566 0.597 1
1 905 . 12 1 1 A 79 79 MET C C 79 173.970 174.978 -1.008 1
1 906 . 12 1 1 A 79 79 MET CA C 79 55.508 54.766 0.742 1
1 907 . 12 1 1 A 79 79 MET CB C 79 35.180 32.007 3.173 1
1 909 . 12 1 1 A 79 79 MET N N 79 120.990 124.904 -3.914 1
1 910 . 12 1 1 A 80 80 LEU H H 80 8.905 8.529 0.376 1
1 911 . 12 1 1 A 80 80 LEU HA H 80 5.235 4.892 0.343 1
1 921 . 12 1 1 A 80 80 LEU C C 80 174.730 175.415 -0.685 1
1 922 . 12 1 1 A 80 80 LEU CA C 80 54.071 53.991 0.080 1
1 923 . 12 1 1 A 80 80 LEU CB C 80 43.540 42.995 0.545 1
1 927 . 12 1 1 A 81 81 MET H H 81 9.229 9.052 0.177 1
1 928 . 12 1 1 A 81 81 MET HA H 81 4.960 4.741 0.219 1
1 936 . 12 1 1 A 81 81 MET C C 81 174.450 175.234 -0.784 1
1 937 . 12 1 1 A 81 81 MET CA C 81 53.830 54.617 -0.787 1
1 938 . 12 1 1 A 81 81 MET CB C 81 34.810 32.711 2.099 1
1 941 . 12 1 1 A 81 81 MET N N 81 125.712 127.970 -2.258 1
1 942 . 12 1 1 A 82 82 ALA H H 82 8.891 9.085 -0.194 1
1 943 . 12 1 1 A 82 82 ALA HA H 82 5.043 5.291 -0.248 1
1 947 . 12 1 1 A 82 82 ALA C C 82 177.470 175.763 1.707 1
1 948 . 12 1 1 A 82 82 ALA CA C 82 51.010 50.334 0.676 1
1 949 . 12 1 1 A 82 82 ALA CB C 82 21.124 24.048 -2.924 1
1 950 . 12 1 1 A 82 82 ALA N N 82 126.315 129.145 -2.830 1
1 951 . 12 1 1 A 83 83 SER H H 83 8.719 8.848 -0.129 1
1 952 . 12 1 1 A 83 83 SER HA H 83 4.497 4.923 -0.426 1
1 955 . 12 1 1 A 83 83 SER C C 83 174.360 175.353 -0.993 1
1 956 . 12 1 1 A 83 83 SER CA C 83 58.534 57.764 0.770 1
1 957 . 12 1 1 A 83 83 SER CB C 83 64.140 64.595 -0.455 1
1 958 . 12 1 1 A 83 83 SER N N 83 117.987 115.951 2.036 1
1 959 . 12 1 1 A 84 84 GLN H H 84 8.629 8.590 0.039 1
1 960 . 12 1 1 A 84 84 GLN HA H 84 4.449 4.148 0.301 1
1 967 . 12 1 1 A 84 84 GLN C C 84 175.370 175.738 -0.368 1
1 968 . 12 1 1 A 84 84 GLN CA C 84 55.890 56.608 -0.718 1
1 969 . 12 1 1 A 84 84 GLN CB C 84 29.860 28.407 1.453 1
1 971 . 12 1 1 A 84 84 GLN N N 84 122.746 123.183 -0.437 1
1 1 . 13 1 1 A 10 10 HIS HA H 10 4.506 5.368 -0.862 1
1 4 . 13 1 1 A 10 10 HIS C C 10 176.040 174.202 1.838 1
1 5 . 13 1 1 A 10 10 HIS CA C 10 55.850 53.942 1.908 1
1 6 . 13 1 1 A 10 10 HIS CB C 10 33.250 32.056 1.194 1
1 7 . 13 1 1 A 11 11 SER H H 11 8.462 8.914 -0.452 1
1 8 . 13 1 1 A 11 11 SER HA H 11 4.516 4.324 0.192 1
1 10 . 13 1 1 A 11 11 SER C C 11 174.050 174.423 -0.373 1
1 11 . 13 1 1 A 11 11 SER CA C 11 59.054 59.521 -0.467 1
1 12 . 13 1 1 A 11 11 SER CB C 11 63.850 64.427 -0.577 1
1 13 . 13 1 1 A 11 11 SER N N 11 117.900 114.433 3.467 1
1 14 . 13 1 1 A 12 12 THR H H 12 7.923 7.689 0.234 1
1 15 . 13 1 1 A 12 12 THR HA H 12 4.581 4.738 -0.157 1
1 20 . 13 1 1 A 12 12 THR C C 12 174.140 174.179 -0.039 1
1 21 . 13 1 1 A 12 12 THR CA C 12 61.245 61.040 0.205 1
1 22 . 13 1 1 A 12 12 THR CB C 12 71.940 69.644 2.296 1
1 24 . 13 1 1 A 12 12 THR N N 12 112.783 109.259 3.524 1
1 25 . 13 1 1 A 13 13 ILE H H 13 9.201 8.794 0.407 1
1 26 . 13 1 1 A 13 13 ILE HA H 13 4.532 4.549 -0.017 1
1 36 . 13 1 1 A 13 13 ILE C C 13 173.930 175.631 -1.701 1
1 37 . 13 1 1 A 13 13 ILE CA C 13 59.720 60.674 -0.954 1
1 38 . 13 1 1 A 13 13 ILE CB C 13 41.597 38.786 2.811 1
1 42 . 13 1 1 A 13 13 ILE N N 13 117.602 123.766 -6.164 1
1 43 . 13 1 1 A 14 14 LYS H H 14 8.077 8.429 -0.352 1
1 44 . 13 1 1 A 14 14 LYS HA H 14 5.110 5.064 0.046 1
1 53 . 13 1 1 A 14 14 LYS C C 14 175.360 175.156 0.204 1
1 54 . 13 1 1 A 14 14 LYS CA C 14 55.200 55.996 -0.796 1
1 55 . 13 1 1 A 14 14 LYS CB C 14 33.130 33.052 0.078 1
1 59 . 13 1 1 A 14 14 LYS N N 14 122.699 124.252 -1.553 1
1 60 . 13 1 1 A 15 15 LEU H H 15 8.953 9.606 -0.653 1
1 61 . 13 1 1 A 15 15 LEU HA H 15 5.025 5.038 -0.013 1
1 71 . 13 1 1 A 15 15 LEU C C 15 176.400 176.093 0.307 1
1 72 . 13 1 1 A 15 15 LEU CA C 15 53.620 53.365 0.255 1
1 73 . 13 1 1 A 15 15 LEU CB C 15 45.380 44.740 0.640 1
1 77 . 13 1 1 A 15 15 LEU N N 15 121.650 126.351 -4.701 1
1 78 . 13 1 1 A 16 16 THR H H 16 8.412 8.995 -0.583 1
1 79 . 13 1 1 A 16 16 THR HA H 16 5.075 4.725 0.350 1
1 84 . 13 1 1 A 16 16 THR C C 16 173.070 173.792 -0.722 1
1 85 . 13 1 1 A 16 16 THR CA C 16 61.380 62.366 -0.986 1
1 86 . 13 1 1 A 16 16 THR CB C 16 71.700 69.267 2.433 1
1 88 . 13 1 1 A 16 16 THR N N 16 114.701 119.748 -5.047 1
1 89 . 13 1 1 A 17 17 VAL H H 17 9.083 9.196 -0.113 1
1 90 . 13 1 1 A 17 17 VAL HA H 17 4.600 4.422 0.178 1
1 98 . 13 1 1 A 17 17 VAL C C 17 174.570 175.144 -0.574 1
1 99 . 13 1 1 A 17 17 VAL CA C 17 61.005 62.072 -1.067 1
1 100 . 13 1 1 A 17 17 VAL CB C 17 33.600 32.238 1.362 1
1 103 . 13 1 1 A 17 17 VAL N N 17 125.565 128.171 -2.606 1
1 104 . 13 1 1 A 18 18 LYS H H 18 9.183 9.119 0.064 1
1 105 . 13 1 1 A 18 18 LYS HA H 18 5.156 4.987 0.169 1
1 114 . 13 1 1 A 18 18 LYS C C 18 175.150 175.508 -0.358 1
1 115 . 13 1 1 A 18 18 LYS CA C 18 54.630 55.374 -0.744 1
1 116 . 13 1 1 A 18 18 LYS CB C 18 33.217 32.373 0.844 1
1 120 . 13 1 1 A 18 18 LYS N N 18 129.200 127.970 1.230 1
1 121 . 13 1 1 A 19 19 PHE H H 19 8.927 9.067 -0.140 1
1 122 . 13 1 1 A 19 19 PHE HA H 19 5.377 4.811 0.566 1
1 129 . 13 1 1 A 19 19 PHE C C 19 175.850 175.681 0.169 1
1 130 . 13 1 1 A 19 19 PHE CA C 19 55.330 56.782 -1.452 1
1 131 . 13 1 1 A 19 19 PHE CB C 19 41.690 36.935 4.755 1
1 136 . 13 1 1 A 19 19 PHE N N 19 126.659 125.513 1.146 1
1 139 . 13 1 1 A 20 20 GLY H H 20 9.275 8.686 0.589 1
1 140 . 13 1 1 A 20 20 GLY HA2 H 20 3.580 3.881 -0.301 1
1 141 . 13 1 1 A 20 20 GLY HA3 H 20 3.578 3.907 -0.329 1
1 142 . 13 1 1 A 20 20 GLY C C 20 175.090 175.126 -0.036 1
1 143 . 13 1 1 A 20 20 GLY CA C 20 47.070 47.249 -0.179 1
1 144 . 13 1 1 A 20 20 GLY N N 20 119.629 112.918 6.711 1
1 145 . 13 1 1 A 21 21 GLY H H 21 8.819 8.464 0.355 1
1 146 . 13 1 1 A 21 21 GLY HA2 H 21 3.942 3.989 -0.047 1
1 147 . 13 1 1 A 21 21 GLY HA3 H 21 3.942 3.990 -0.048 1
1 148 . 13 1 1 A 21 21 GLY C C 21 173.890 174.360 -0.470 1
1 149 . 13 1 1 A 21 21 GLY CA C 21 45.290 45.770 -0.480 1
1 150 . 13 1 1 A 21 21 GLY N N 21 111.500 114.132 -2.632 1
1 151 . 13 1 1 A 22 22 LYS H H 22 7.975 7.332 0.643 1
1 152 . 13 1 1 A 22 22 LYS HA H 22 4.616 4.400 0.216 1
1 161 . 13 1 1 A 22 22 LYS C C 22 175.450 175.921 -0.471 1
1 162 . 13 1 1 A 22 22 LYS CA C 22 55.514 56.315 -0.801 1
1 163 . 13 1 1 A 22 22 LYS CB C 22 34.790 33.171 1.619 1
1 167 . 13 1 1 A 22 22 LYS N N 22 121.832 120.272 1.560 1
1 168 . 13 1 1 A 23 23 SER H H 23 8.722 8.743 -0.021 1
1 169 . 13 1 1 A 23 23 SER HA H 23 4.841 5.606 -0.765 1
1 172 . 13 1 1 A 23 23 SER C C 23 173.910 172.668 1.242 1
1 173 . 13 1 1 A 23 23 SER CA C 23 58.344 56.751 1.593 1
1 174 . 13 1 1 A 23 23 SER CB C 23 64.237 64.552 -0.315 1
1 175 . 13 1 1 A 23 23 SER N N 23 119.004 117.108 1.896 1
1 176 . 13 1 1 A 24 24 ILE H H 24 9.444 9.396 0.048 1
1 177 . 13 1 1 A 24 24 ILE HA H 24 4.502 4.689 -0.187 1
1 187 . 13 1 1 A 24 24 ILE C C 24 173.590 175.168 -1.578 1
1 188 . 13 1 1 A 24 24 ILE CA C 24 59.145 58.275 0.870 1
1 189 . 13 1 1 A 24 24 ILE CB C 24 40.620 38.608 2.012 1
1 193 . 13 1 1 A 24 24 ILE N N 24 129.205 126.906 2.299 1
1 194 . 13 1 1 A 25 25 PRO HA H 25 5.179 4.891 0.288 1
1 201 . 13 1 1 A 25 25 PRO C C 25 176.750 176.052 0.698 1
1 202 . 13 1 1 A 25 25 PRO CA C 25 61.740 62.438 -0.698 1
1 203 . 13 1 1 A 25 25 PRO CB C 25 32.010 31.737 0.273 1
1 206 . 13 1 1 A 26 26 LEU H H 26 8.720 8.870 -0.150 1
1 207 . 13 1 1 A 26 26 LEU HA H 26 4.731 5.001 -0.270 1
1 217 . 13 1 1 A 26 26 LEU C C 26 175.450 175.582 -0.132 1
1 218 . 13 1 1 A 26 26 LEU CA C 26 54.731 52.945 1.786 1
1 219 . 13 1 1 A 26 26 LEU CB C 26 47.766 46.109 1.657 1
1 223 . 13 1 1 A 26 26 LEU N N 26 122.986 124.692 -1.706 1
1 224 . 13 1 1 A 27 27 SER H H 27 8.404 8.875 -0.471 1
1 225 . 13 1 1 A 27 27 SER HA H 27 5.504 5.732 -0.228 1
1 228 . 13 1 1 A 27 27 SER C C 27 174.498 173.273 1.225 1
1 229 . 13 1 1 A 27 27 SER CA C 27 57.000 56.994 0.006 1
1 230 . 13 1 1 A 27 27 SER CB C 27 63.850 64.924 -1.074 1
1 231 . 13 1 1 A 27 27 SER N N 27 118.151 116.072 2.079 1
1 232 . 13 1 1 A 28 28 VAL H H 28 8.743 8.789 -0.046 1
1 233 . 13 1 1 A 28 28 VAL HA H 28 4.792 5.068 -0.276 1
1 241 . 13 1 1 A 28 28 VAL C C 28 174.250 174.665 -0.415 1
1 242 . 13 1 1 A 28 28 VAL CA C 28 58.792 58.987 -0.195 1
1 243 . 13 1 1 A 28 28 VAL CB C 28 36.600 35.770 0.830 1
1 246 . 13 1 1 A 28 28 VAL N N 28 118.097 121.500 -3.403 1
1 247 . 13 1 1 A 29 29 SER H H 29 8.694 8.576 0.118 1
1 248 . 13 1 1 A 29 29 SER HA H 29 4.960 4.705 0.255 1
1 251 . 13 1 1 A 29 29 SER C C 29 175.159 174.311 0.848 1
1 252 . 13 1 1 A 29 29 SER CA C 29 55.925 56.910 -0.985 1
1 253 . 13 1 1 A 29 29 SER CB C 29 64.080 63.030 1.050 1
1 254 . 13 1 1 A 29 29 SER N N 29 116.965 117.889 -0.924 1
1 255 . 13 1 1 A 30 30 PRO HA H 30 4.277 4.425 -0.148 1
1 262 . 13 1 1 A 30 30 PRO C C 30 175.705 177.483 -1.778 1
1 263 . 13 1 1 A 30 30 PRO CA C 30 64.825 64.534 0.291 1
1 264 . 13 1 1 A 30 30 PRO CB C 30 32.074 31.841 0.233 1
1 267 . 13 1 1 A 31 31 ASP H H 31 7.818 8.778 -0.960 1
1 268 . 13 1 1 A 31 31 ASP HA H 31 4.725 4.409 0.316 1
1 271 . 13 1 1 A 31 31 ASP C C 31 175.040 176.743 -1.703 1
1 272 . 13 1 1 A 31 31 ASP CA C 31 54.160 55.985 -1.825 1
1 273 . 13 1 1 A 31 31 ASP CB C 31 41.590 40.597 0.993 1
1 274 . 13 1 1 A 31 31 ASP N N 31 114.503 118.217 -3.714 1
1 275 . 13 1 1 A 32 32 CYS H H 32 7.657 7.393 0.264 1
1 276 . 13 1 1 A 32 32 CYS HA H 32 4.483 4.678 -0.195 1
1 279 . 13 1 1 A 32 32 CYS C C 32 174.805 174.936 -0.131 1
1 280 . 13 1 1 A 32 32 CYS CA C 32 59.510 58.901 0.609 1
1 281 . 13 1 1 A 32 32 CYS CB C 32 28.010 28.975 -0.965 1
1 282 . 13 1 1 A 32 32 CYS N N 32 119.852 118.003 1.849 1
1 283 . 13 1 1 A 33 33 THR H H 33 8.992 8.770 0.222 1
1 284 . 13 1 1 A 33 33 THR HA H 33 4.861 4.772 0.089 1
1 289 . 13 1 1 A 33 33 THR C C 33 176.350 176.267 0.083 1
1 290 . 13 1 1 A 33 33 THR CA C 33 61.165 60.506 0.659 1
1 291 . 13 1 1 A 33 33 THR CB C 33 71.968 71.281 0.687 1
1 293 . 13 1 1 A 33 33 THR N N 33 115.278 113.640 1.638 1
1 294 . 13 1 1 A 34 34 VAL H H 34 8.558 8.818 -0.260 1
1 295 . 13 1 1 A 34 34 VAL HA H 34 3.384 3.847 -0.463 1
1 303 . 13 1 1 A 34 34 VAL C C 34 177.880 177.595 0.285 1
1 304 . 13 1 1 A 34 34 VAL CA C 34 67.050 65.443 1.607 1
1 305 . 13 1 1 A 34 34 VAL CB C 34 31.303 31.441 -0.138 1
1 308 . 13 1 1 A 34 34 VAL N N 34 123.274 119.819 3.455 1
1 309 . 13 1 1 A 35 35 LYS H H 35 8.316 7.765 0.551 1
1 310 . 13 1 1 A 35 35 LYS HA H 35 3.758 4.018 -0.260 1
1 319 . 13 1 1 A 35 35 LYS C C 35 178.180 178.465 -0.285 1
1 320 . 13 1 1 A 35 35 LYS CA C 35 60.812 59.576 1.236 1
1 321 . 13 1 1 A 35 35 LYS CB C 35 32.610 32.152 0.458 1
1 325 . 13 1 1 A 35 35 LYS N N 35 119.813 120.996 -1.183 1
1 326 . 13 1 1 A 36 36 ASP H H 36 7.959 8.258 -0.299 1
1 327 . 13 1 1 A 36 36 ASP HA H 36 4.414 4.315 0.099 1
1 330 . 13 1 1 A 36 36 ASP C C 36 179.395 178.727 0.668 1
1 331 . 13 1 1 A 36 36 ASP CA C 36 57.360 57.639 -0.279 1
1 332 . 13 1 1 A 36 36 ASP CB C 36 40.350 42.282 -1.932 1
1 333 . 13 1 1 A 36 36 ASP N N 36 120.728 119.966 0.762 1
1 334 . 13 1 1 A 37 37 LEU H H 37 8.147 8.298 -0.151 1
1 335 . 13 1 1 A 37 37 LEU HA H 37 3.976 3.959 0.017 1
1 345 . 13 1 1 A 37 37 LEU C C 37 178.630 179.288 -0.658 1
1 346 . 13 1 1 A 37 37 LEU CA C 37 58.210 58.104 0.106 1
1 347 . 13 1 1 A 37 37 LEU CB C 37 41.470 41.655 -0.185 1
1 351 . 13 1 1 A 37 37 LEU N N 37 123.841 120.018 3.823 1
1 352 . 13 1 1 A 38 38 LYS H H 38 8.308 8.230 0.078 1
1 353 . 13 1 1 A 38 38 LYS HA H 38 4.505 4.292 0.213 1
1 362 . 13 1 1 A 38 38 LYS C C 38 180.780 179.600 1.180 1
1 363 . 13 1 1 A 38 38 LYS CA C 38 59.910 59.882 0.028 1
1 364 . 13 1 1 A 38 38 LYS CB C 38 34.270 31.986 2.284 1
1 368 . 13 1 1 A 38 38 LYS N N 38 117.736 117.682 0.054 1
1 369 . 13 1 1 A 39 39 SER H H 39 7.952 8.072 -0.120 1
1 370 . 13 1 1 A 39 39 SER HA H 39 4.230 4.153 0.077 1
1 373 . 13 1 1 A 39 39 SER C C 39 177.240 176.149 1.091 1
1 374 . 13 1 1 A 39 39 SER CA C 39 62.440 61.152 1.288 1
1 375 . 13 1 1 A 39 39 SER CB C 39 62.670 63.173 -0.503 1
1 376 . 13 1 1 A 39 39 SER N N 39 115.100 114.260 0.840 1
1 377 . 13 1 1 A 40 40 GLN H H 40 7.899 7.311 0.588 1
1 378 . 13 1 1 A 40 40 GLN HA H 40 4.125 4.221 -0.096 1
1 385 . 13 1 1 A 40 40 GLN C C 40 178.330 178.861 -0.531 1
1 386 . 13 1 1 A 40 40 GLN CA C 40 59.045 58.373 0.672 1
1 387 . 13 1 1 A 40 40 GLN CB C 40 28.893 28.582 0.311 1
1 389 . 13 1 1 A 40 40 GLN N N 40 121.600 120.438 1.162 1
1 391 . 13 1 1 A 41 41 LEU H H 41 8.010 8.548 -0.538 1
1 392 . 13 1 1 A 41 41 LEU HA H 41 4.130 4.126 0.004 1
1 402 . 13 1 1 A 41 41 LEU C C 41 179.980 179.191 0.789 1
1 403 . 13 1 1 A 41 41 LEU CA C 41 56.472 57.124 -0.652 1
1 404 . 13 1 1 A 41 41 LEU CB C 41 42.660 41.251 1.409 1
1 408 . 13 1 1 A 41 41 LEU N N 41 116.657 120.402 -3.745 1
1 409 . 13 1 1 A 42 42 GLN H H 42 7.903 8.251 -0.348 1
1 410 . 13 1 1 A 42 42 GLN HA H 42 4.180 4.098 0.082 1
1 417 . 13 1 1 A 42 42 GLN C C 42 174.350 174.558 -0.208 1
1 418 . 13 1 1 A 42 42 GLN CA C 42 61.300 60.599 0.701 1
1 419 . 13 1 1 A 42 42 GLN CB C 42 25.250 27.329 -2.079 1
1 421 . 13 1 1 A 42 42 GLN N N 42 125.104 118.869 6.235 1
1 423 . 13 1 1 A 43 43 PRO HA H 43 4.410 4.414 -0.004 1
1 430 . 13 1 1 A 43 43 PRO C C 43 177.270 178.420 -1.150 1
1 431 . 13 1 1 A 43 43 PRO CA C 43 65.130 64.955 0.175 1
1 432 . 13 1 1 A 43 43 PRO CB C 43 31.208 31.313 -0.105 1
1 435 . 13 1 1 A 44 44 ILE H H 44 6.568 7.550 -0.982 1
1 436 . 13 1 1 A 44 44 ILE HA H 44 3.959 3.973 -0.014 1
1 446 . 13 1 1 A 44 44 ILE C C 44 177.060 177.759 -0.699 1
1 447 . 13 1 1 A 44 44 ILE CA C 44 63.670 63.171 0.499 1
1 448 . 13 1 1 A 44 44 ILE CB C 44 40.270 38.212 2.058 1
1 452 . 13 1 1 A 44 44 ILE N N 44 114.765 116.798 -2.033 1
1 453 . 13 1 1 A 45 45 THR H H 45 7.826 8.110 -0.284 1
1 454 . 13 1 1 A 45 45 THR HA H 45 4.202 4.400 -0.198 1
1 459 . 13 1 1 A 45 45 THR C C 45 174.990 174.656 0.334 1
1 460 . 13 1 1 A 45 45 THR CA C 45 62.696 61.466 1.230 1
1 461 . 13 1 1 A 45 45 THR CB C 45 71.682 69.674 2.008 1
1 463 . 13 1 1 A 45 45 THR N N 45 107.323 109.085 -1.762 1
1 464 . 13 1 1 A 46 46 ASN H H 46 8.660 7.793 0.867 1
1 465 . 13 1 1 A 46 46 ASN HA H 46 4.381 4.777 -0.396 1
1 470 . 13 1 1 A 46 46 ASN C C 46 173.900 173.256 0.644 1
1 471 . 13 1 1 A 46 46 ASN CA C 46 54.890 54.496 0.394 1
1 472 . 13 1 1 A 46 46 ASN CB C 46 38.207 36.899 1.308 1
1 473 . 13 1 1 A 46 46 ASN N N 46 117.586 116.625 0.961 1
1 475 . 13 1 1 A 47 47 VAL H H 47 7.517 7.829 -0.312 1
1 476 . 13 1 1 A 47 47 VAL HA H 47 4.134 4.903 -0.769 1
1 484 . 13 1 1 A 47 47 VAL C C 47 176.140 175.228 0.912 1
1 485 . 13 1 1 A 47 47 VAL CA C 47 61.763 60.475 1.288 1
1 486 . 13 1 1 A 47 47 VAL CB C 47 32.925 33.706 -0.781 1
1 489 . 13 1 1 A 47 47 VAL N N 47 119.901 118.119 1.782 1
1 490 . 13 1 1 A 48 48 LEU H H 48 8.650 8.521 0.129 1
1 491 . 13 1 1 A 48 48 LEU HA H 48 4.194 4.384 -0.190 1
1 501 . 13 1 1 A 48 48 LEU C C 48 177.110 177.239 -0.129 1
1 502 . 13 1 1 A 48 48 LEU CA C 48 54.491 53.616 0.875 1
1 503 . 13 1 1 A 48 48 LEU CB C 48 41.171 41.498 -0.327 1
1 507 . 13 1 1 A 48 48 LEU N N 48 128.467 127.916 0.551 1
1 508 . 13 1 1 A 49 49 PRO HA H 49 3.923 4.226 -0.303 1
1 515 . 13 1 1 A 49 49 PRO C C 49 178.430 178.195 0.235 1
1 516 . 13 1 1 A 49 49 PRO CA C 49 67.000 65.377 1.623 1
1 517 . 13 1 1 A 49 49 PRO CB C 49 32.456 31.910 0.546 1
1 520 . 13 1 1 A 50 50 ARG H H 50 8.331 8.279 0.052 1
1 521 . 13 1 1 A 50 50 ARG HA H 50 4.239 4.129 0.110 1
1 528 . 13 1 1 A 50 50 ARG C C 50 176.940 177.741 -0.801 1
1 529 . 13 1 1 A 50 50 ARG CA C 50 58.130 59.134 -1.004 1
1 530 . 13 1 1 A 50 50 ARG CB C 50 29.200 30.169 -0.969 1
1 533 . 13 1 1 A 50 50 ARG N N 50 114.500 118.278 -3.778 1
1 534 . 13 1 1 A 51 51 GLY H H 51 8.199 8.079 0.120 1
1 535 . 13 1 1 A 51 51 GLY HA2 H 51 3.605 3.996 -0.391 1
1 536 . 13 1 1 A 51 51 GLY HA3 H 51 4.335 4.005 0.330 1
1 537 . 13 1 1 A 51 51 GLY C C 51 173.340 174.075 -0.735 1
1 538 . 13 1 1 A 51 51 GLY CA C 51 44.750 45.309 -0.559 1
1 539 . 13 1 1 A 51 51 GLY N N 51 107.942 106.774 1.168 1
1 540 . 13 1 1 A 52 52 GLN H H 52 7.475 7.717 -0.242 1
1 541 . 13 1 1 A 52 52 GLN HA H 52 4.315 4.463 -0.148 1
1 548 . 13 1 1 A 52 52 GLN C C 52 175.770 174.555 1.215 1
1 549 . 13 1 1 A 52 52 GLN CA C 52 56.023 54.759 1.264 1
1 550 . 13 1 1 A 52 52 GLN CB C 52 31.494 27.210 4.284 1
1 552 . 13 1 1 A 52 52 GLN N N 52 119.769 119.071 0.698 1
1 554 . 13 1 1 A 53 53 LYS H H 53 8.586 8.065 0.521 1
1 555 . 13 1 1 A 53 53 LYS HA H 53 4.500 4.611 -0.111 1
1 564 . 13 1 1 A 53 53 LYS C C 53 174.080 175.365 -1.285 1
1 565 . 13 1 1 A 53 53 LYS CA C 53 55.950 55.493 0.457 1
1 566 . 13 1 1 A 53 53 LYS CB C 53 34.690 31.668 3.022 1
1 570 . 13 1 1 A 53 53 LYS N N 53 123.759 123.968 -0.209 1
1 571 . 13 1 1 A 54 54 LEU H H 54 8.900 8.260 0.640 1
1 572 . 13 1 1 A 54 54 LEU HA H 54 5.271 4.546 0.725 1
1 582 . 13 1 1 A 54 54 LEU C C 54 174.940 175.952 -1.012 1
1 583 . 13 1 1 A 54 54 LEU CA C 54 53.250 54.478 -1.228 1
1 584 . 13 1 1 A 54 54 LEU CB C 54 45.042 41.270 3.772 1
1 588 . 13 1 1 A 54 54 LEU N N 54 126.200 126.159 0.041 1
1 589 . 13 1 1 A 55 55 ILE H H 55 9.330 8.803 0.527 1
1 590 . 13 1 1 A 55 55 ILE HA H 55 4.886 5.236 -0.350 1
1 600 . 13 1 1 A 55 55 ILE C C 55 175.623 174.320 1.303 1
1 601 . 13 1 1 A 55 55 ILE CA C 55 59.402 59.986 -0.584 1
1 602 . 13 1 1 A 55 55 ILE CB C 55 40.270 40.702 -0.432 1
1 606 . 13 1 1 A 55 55 ILE N N 55 123.589 124.948 -1.359 1
1 607 . 13 1 1 A 56 56 PHE H H 56 9.241 9.407 -0.166 1
1 608 . 13 1 1 A 56 56 PHE HA H 56 5.212 4.908 0.304 1
1 615 . 13 1 1 A 56 56 PHE C C 56 174.600 174.816 -0.216 1
1 616 . 13 1 1 A 56 56 PHE CA C 56 55.936 57.266 -1.330 1
1 617 . 13 1 1 A 56 56 PHE CB C 56 42.830 42.069 0.761 1
1 622 . 13 1 1 A 56 56 PHE N N 56 127.423 126.672 0.751 1
1 625 . 13 1 1 A 57 57 LYS H H 57 9.307 9.547 -0.240 1
1 626 . 13 1 1 A 57 57 LYS HA H 57 3.630 3.653 -0.023 1
1 635 . 13 1 1 A 57 57 LYS C C 57 176.620 176.515 0.105 1
1 636 . 13 1 1 A 57 57 LYS CA C 57 57.495 57.067 0.428 1
1 637 . 13 1 1 A 57 57 LYS CB C 57 30.100 29.738 0.362 1
1 641 . 13 1 1 A 57 57 LYS N N 57 128.612 128.147 0.465 1
1 642 . 13 1 1 A 58 58 GLY H H 58 8.288 8.448 -0.160 1
1 643 . 13 1 1 A 58 58 GLY HA2 H 58 3.487 3.822 -0.335 1
1 644 . 13 1 1 A 58 58 GLY HA3 H 58 4.098 3.835 0.263 1
1 645 . 13 1 1 A 58 58 GLY C C 58 173.568 173.401 0.167 1
1 646 . 13 1 1 A 58 58 GLY CA C 58 45.475 45.228 0.247 1
1 647 . 13 1 1 A 58 58 GLY N N 58 102.757 105.233 -2.476 1
1 648 . 13 1 1 A 59 59 LYS H H 59 7.900 8.032 -0.132 1
1 649 . 13 1 1 A 59 59 LYS HA H 59 4.667 4.580 0.087 1
1 658 . 13 1 1 A 59 59 LYS C C 59 174.830 175.781 -0.951 1
1 659 . 13 1 1 A 59 59 LYS CA C 59 55.222 55.077 0.145 1
1 660 . 13 1 1 A 59 59 LYS CB C 59 35.010 33.887 1.123 1
1 664 . 13 1 1 A 59 59 LYS N N 59 121.753 122.129 -0.376 1
1 665 . 13 1 1 A 60 60 VAL H H 60 8.587 8.648 -0.061 1
1 666 . 13 1 1 A 60 60 VAL HA H 60 4.209 4.303 -0.094 1
1 674 . 13 1 1 A 60 60 VAL C C 60 177.380 175.876 1.504 1
1 675 . 13 1 1 A 60 60 VAL CA C 60 63.080 62.456 0.624 1
1 676 . 13 1 1 A 60 60 VAL CB C 60 32.101 32.226 -0.125 1
1 679 . 13 1 1 A 60 60 VAL N N 60 123.795 126.215 -2.420 1
1 680 . 13 1 1 A 61 61 LEU H H 61 8.876 8.897 -0.021 1
1 681 . 13 1 1 A 61 61 LEU HA H 61 4.430 4.516 -0.086 1
1 691 . 13 1 1 A 61 61 LEU C C 61 176.660 176.818 -0.158 1
1 692 . 13 1 1 A 61 61 LEU CA C 61 54.760 54.229 0.531 1
1 693 . 13 1 1 A 61 61 LEU CB C 61 43.060 42.253 0.807 1
1 697 . 13 1 1 A 61 61 LEU N N 61 129.083 129.305 -0.222 1
1 698 . 13 1 1 A 62 62 VAL H H 62 8.759 8.711 0.048 1
1 699 . 13 1 1 A 62 62 VAL HA H 62 3.989 4.057 -0.068 1
1 707 . 13 1 1 A 62 62 VAL C C 62 178.390 176.839 1.551 1
1 708 . 13 1 1 A 62 62 VAL CA C 62 63.077 62.732 0.345 1
1 709 . 13 1 1 A 62 62 VAL CB C 62 32.440 32.132 0.308 1
1 712 . 13 1 1 A 62 62 VAL N N 62 124.193 124.406 -0.213 1
1 713 . 13 1 1 A 63 63 GLU H H 63 8.806 8.867 -0.061 1
1 714 . 13 1 1 A 63 63 GLU HA H 63 3.757 3.934 -0.177 1
1 719 . 13 1 1 A 63 63 GLU C C 63 176.500 178.515 -2.015 1
1 720 . 13 1 1 A 63 63 GLU CA C 63 60.509 60.132 0.377 1
1 721 . 13 1 1 A 63 63 GLU CB C 63 30.580 29.349 1.231 1
1 723 . 13 1 1 A 63 63 GLU N N 63 125.296 125.473 -0.177 1
1 724 . 13 1 1 A 64 64 THR H H 64 7.100 7.664 -0.564 1
1 725 . 13 1 1 A 64 64 THR HA H 64 4.279 4.237 0.042 1
1 730 . 13 1 1 A 64 64 THR C C 64 175.290 174.933 0.357 1
1 731 . 13 1 1 A 64 64 THR CA C 64 61.466 63.288 -1.822 1
1 732 . 13 1 1 A 64 64 THR CB C 64 68.840 68.964 -0.124 1
1 734 . 13 1 1 A 64 64 THR N N 64 102.822 111.807 -8.985 1
1 735 . 13 1 1 A 65 65 SER H H 65 7.749 7.841 -0.092 1
1 736 . 13 1 1 A 65 65 SER HA H 65 4.676 4.444 0.232 1
1 739 . 13 1 1 A 65 65 SER C C 65 174.300 174.237 0.063 1
1 740 . 13 1 1 A 65 65 SER CA C 65 58.060 58.233 -0.173 1
1 741 . 13 1 1 A 65 65 SER CB C 65 64.950 64.044 0.906 1
1 742 . 13 1 1 A 65 65 SER N N 65 117.966 118.882 -0.916 1
1 743 . 13 1 1 A 66 66 THR H H 66 8.512 8.570 -0.058 1
1 744 . 13 1 1 A 66 66 THR HA H 66 5.032 4.851 0.181 1
1 750 . 13 1 1 A 66 66 THR C C 66 177.300 176.288 1.012 1
1 751 . 13 1 1 A 66 66 THR CA C 66 60.200 59.954 0.246 1
1 752 . 13 1 1 A 66 66 THR CB C 66 71.550 71.522 0.028 1
1 754 . 13 1 1 A 66 66 THR N N 66 111.490 114.861 -3.371 1
1 755 . 13 1 1 A 67 67 LEU H H 67 8.451 8.667 -0.216 1
1 756 . 13 1 1 A 67 67 LEU HA H 67 3.753 3.889 -0.136 1
1 766 . 13 1 1 A 67 67 LEU C C 67 179.170 178.792 0.378 1
1 767 . 13 1 1 A 67 67 LEU CA C 67 59.234 58.286 0.948 1
1 768 . 13 1 1 A 67 67 LEU CB C 67 38.897 41.357 -2.460 1
1 772 . 13 1 1 A 67 67 LEU N N 67 122.302 123.221 -0.919 1
1 773 . 13 1 1 A 68 68 LYS H H 68 8.313 8.116 0.197 1
1 774 . 13 1 1 A 68 68 LYS HA H 68 4.090 3.928 0.162 1
1 783 . 13 1 1 A 68 68 LYS C C 68 180.950 179.539 1.411 1
1 784 . 13 1 1 A 68 68 LYS CA C 68 59.620 59.767 -0.147 1
1 785 . 13 1 1 A 68 68 LYS CB C 68 32.490 32.302 0.188 1
1 789 . 13 1 1 A 68 68 LYS N N 68 120.066 120.807 -0.741 1
1 790 . 13 1 1 A 69 69 GLN H H 69 8.019 8.027 -0.008 1
1 791 . 13 1 1 A 69 69 GLN HA H 69 4.086 4.176 -0.090 1
1 798 . 13 1 1 A 69 69 GLN C C 69 177.840 176.779 1.061 1
1 799 . 13 1 1 A 69 69 GLN CA C 69 58.260 58.127 0.133 1
1 800 . 13 1 1 A 69 69 GLN CB C 69 28.580 28.338 0.242 1
1 802 . 13 1 1 A 69 69 GLN N N 69 119.594 119.582 0.012 1
1 804 . 13 1 1 A 70 70 SER H H 70 7.544 7.586 -0.042 1
1 805 . 13 1 1 A 70 70 SER HA H 70 4.517 4.581 -0.064 1
1 808 . 13 1 1 A 70 70 SER C C 70 171.870 173.666 -1.796 1
1 809 . 13 1 1 A 70 70 SER CA C 70 58.920 58.011 0.909 1
1 810 . 13 1 1 A 70 70 SER CB C 70 64.446 63.266 1.180 1
1 811 . 13 1 1 A 70 70 SER N N 70 114.028 112.937 1.091 1
1 812 . 13 1 1 A 71 71 ASP H H 71 7.882 8.054 -0.172 1
1 813 . 13 1 1 A 71 71 ASP HA H 71 4.278 4.358 -0.080 1
1 816 . 13 1 1 A 71 71 ASP C C 71 174.050 175.415 -1.365 1
1 817 . 13 1 1 A 71 71 ASP CA C 71 55.660 55.603 0.057 1
1 818 . 13 1 1 A 71 71 ASP CB C 71 39.540 39.689 -0.149 1
1 819 . 13 1 1 A 71 71 ASP N N 71 116.055 118.874 -2.819 1
1 820 . 13 1 1 A 72 72 VAL H H 72 7.723 7.863 -0.140 1
1 821 . 13 1 1 A 72 72 VAL HA H 72 3.285 3.714 -0.429 1
1 829 . 13 1 1 A 72 72 VAL C C 72 173.980 175.497 -1.517 1
1 830 . 13 1 1 A 72 72 VAL CA C 72 62.744 62.176 0.568 1
1 831 . 13 1 1 A 72 72 VAL CB C 72 30.727 31.221 -0.494 1
1 834 . 13 1 1 A 72 72 VAL N N 72 119.423 119.622 -0.199 1
1 835 . 13 1 1 A 73 73 GLY H H 73 7.722 8.616 -0.894 1
1 836 . 13 1 1 A 73 73 GLY HA2 H 73 3.590 4.193 -0.603 1
1 837 . 13 1 1 A 73 73 GLY HA3 H 73 4.416 4.212 0.204 1
1 838 . 13 1 1 A 73 73 GLY C C 73 172.450 173.089 -0.639 1
1 839 . 13 1 1 A 73 73 GLY CA C 73 42.820 43.619 -0.799 1
1 840 . 13 1 1 A 73 73 GLY N N 73 114.445 116.172 -1.727 1
1 841 . 13 1 1 A 74 74 SER H H 74 8.552 8.510 0.042 1
1 842 . 13 1 1 A 74 74 SER HA H 74 4.365 4.389 -0.024 1
1 845 . 13 1 1 A 74 74 SER C C 74 177.240 175.149 2.091 1
1 846 . 13 1 1 A 74 74 SER CA C 74 60.420 59.660 0.760 1
1 847 . 13 1 1 A 74 74 SER CB C 74 63.350 62.764 0.586 1
1 848 . 13 1 1 A 74 74 SER N N 74 111.883 113.637 -1.754 1
1 849 . 13 1 1 A 75 75 GLY H H 75 9.718 8.962 0.756 1
1 850 . 13 1 1 A 75 75 GLY HA2 H 75 3.693 3.974 -0.281 1
1 851 . 13 1 1 A 75 75 GLY HA3 H 75 4.328 3.979 0.349 1
1 852 . 13 1 1 A 75 75 GLY C C 75 174.500 174.800 -0.300 1
1 853 . 13 1 1 A 75 75 GLY CA C 75 44.990 45.462 -0.472 1
1 854 . 13 1 1 A 75 75 GLY N N 75 115.986 113.654 2.332 1
1 855 . 13 1 1 A 76 76 ALA H H 76 7.939 7.714 0.225 1
1 856 . 13 1 1 A 76 76 ALA HA H 76 4.363 4.447 -0.084 1
1 860 . 13 1 1 A 76 76 ALA C C 76 176.170 177.150 -0.980 1
1 861 . 13 1 1 A 76 76 ALA CA C 76 53.372 52.392 0.980 1
1 862 . 13 1 1 A 76 76 ALA CB C 76 21.400 19.645 1.755 1
1 863 . 13 1 1 A 76 76 ALA N N 76 123.830 123.872 -0.042 1
1 864 . 13 1 1 A 77 77 LYS H H 77 8.435 8.691 -0.256 1
1 865 . 13 1 1 A 77 77 LYS HA H 77 5.195 4.628 0.567 1
1 874 . 13 1 1 A 77 77 LYS C C 77 175.450 175.217 0.233 1
1 875 . 13 1 1 A 77 77 LYS CA C 77 54.930 55.508 -0.578 1
1 876 . 13 1 1 A 77 77 LYS CB C 77 33.520 32.716 0.804 1
1 880 . 13 1 1 A 77 77 LYS N N 77 120.636 122.619 -1.983 1
1 881 . 13 1 1 A 78 78 LEU H H 78 9.016 9.188 -0.172 1
1 882 . 13 1 1 A 78 78 LEU HA H 78 5.225 5.029 0.196 1
1 892 . 13 1 1 A 78 78 LEU C C 78 175.970 176.099 -0.129 1
1 893 . 13 1 1 A 78 78 LEU CA C 78 53.700 53.833 -0.133 1
1 894 . 13 1 1 A 78 78 LEU CB C 78 45.250 43.922 1.328 1
1 898 . 13 1 1 A 78 78 LEU N N 78 123.751 126.165 -2.414 1
1 899 . 13 1 1 A 79 79 MET H H 79 8.983 9.379 -0.396 1
1 900 . 13 1 1 A 79 79 MET HA H 79 5.163 4.940 0.223 1
1 905 . 13 1 1 A 79 79 MET C C 79 173.970 174.816 -0.846 1
1 906 . 13 1 1 A 79 79 MET CA C 79 55.508 53.998 1.510 1
1 907 . 13 1 1 A 79 79 MET CB C 79 35.180 34.913 0.267 1
1 909 . 13 1 1 A 79 79 MET N N 79 120.990 124.935 -3.945 1
1 910 . 13 1 1 A 80 80 LEU H H 80 8.905 8.859 0.046 1
1 911 . 13 1 1 A 80 80 LEU HA H 80 5.235 4.882 0.353 1
1 921 . 13 1 1 A 80 80 LEU C C 80 174.730 174.684 0.046 1
1 922 . 13 1 1 A 80 80 LEU CA C 80 54.071 53.802 0.269 1
1 923 . 13 1 1 A 80 80 LEU CB C 80 43.540 44.121 -0.581 1
1 927 . 13 1 1 A 81 81 MET H H 81 9.229 8.628 0.601 1
1 928 . 13 1 1 A 81 81 MET HA H 81 4.960 4.786 0.174 1
1 936 . 13 1 1 A 81 81 MET C C 81 174.450 174.653 -0.203 1
1 937 . 13 1 1 A 81 81 MET CA C 81 53.830 54.171 -0.341 1
1 938 . 13 1 1 A 81 81 MET CB C 81 34.810 32.314 2.496 1
1 941 . 13 1 1 A 81 81 MET N N 81 125.712 128.508 -2.796 1
1 942 . 13 1 1 A 82 82 ALA H H 82 8.891 8.751 0.140 1
1 943 . 13 1 1 A 82 82 ALA HA H 82 5.043 5.633 -0.590 1
1 947 . 13 1 1 A 82 82 ALA C C 82 177.470 176.459 1.011 1
1 948 . 13 1 1 A 82 82 ALA CA C 82 51.010 50.999 0.011 1
1 949 . 13 1 1 A 82 82 ALA CB C 82 21.124 21.248 -0.124 1
1 950 . 13 1 1 A 82 82 ALA N N 82 126.315 130.095 -3.780 1
1 951 . 13 1 1 A 83 83 SER H H 83 8.719 8.312 0.407 1
1 952 . 13 1 1 A 83 83 SER HA H 83 4.497 4.884 -0.387 1
1 955 . 13 1 1 A 83 83 SER C C 83 174.360 173.003 1.357 1
1 956 . 13 1 1 A 83 83 SER CA C 83 58.534 57.812 0.722 1
1 957 . 13 1 1 A 83 83 SER CB C 83 64.140 64.614 -0.474 1
1 958 . 13 1 1 A 83 83 SER N N 83 117.987 116.750 1.237 1
1 959 . 13 1 1 A 84 84 GLN H H 84 8.629 8.700 -0.071 1
1 960 . 13 1 1 A 84 84 GLN HA H 84 4.449 4.560 -0.111 1
1 967 . 13 1 1 A 84 84 GLN C C 84 175.370 175.728 -0.358 1
1 968 . 13 1 1 A 84 84 GLN CA C 84 55.890 55.488 0.402 1
1 969 . 13 1 1 A 84 84 GLN CB C 84 29.860 27.886 1.974 1
1 971 . 13 1 1 A 84 84 GLN N N 84 122.746 128.475 -5.729 1
1 1 . 14 1 1 A 10 10 HIS HA H 10 4.506 4.830 -0.324 1
1 4 . 14 1 1 A 10 10 HIS C C 10 176.040 173.397 2.643 1
1 5 . 14 1 1 A 10 10 HIS CA C 10 55.850 54.429 1.421 1
1 6 . 14 1 1 A 10 10 HIS CB C 10 33.250 31.882 1.368 1
1 7 . 14 1 1 A 11 11 SER H H 11 8.462 8.829 -0.367 1
1 8 . 14 1 1 A 11 11 SER HA H 11 4.516 4.953 -0.437 1
1 10 . 14 1 1 A 11 11 SER C C 11 174.050 172.619 1.431 1
1 11 . 14 1 1 A 11 11 SER CA C 11 59.054 55.263 3.791 1
1 12 . 14 1 1 A 11 11 SER CB C 11 63.850 65.372 -1.522 1
1 13 . 14 1 1 A 11 11 SER N N 11 117.900 121.973 -4.073 1
1 14 . 14 1 1 A 12 12 THR H H 12 7.923 8.596 -0.673 1
1 15 . 14 1 1 A 12 12 THR HA H 12 4.581 5.140 -0.559 1
1 20 . 14 1 1 A 12 12 THR C C 12 174.140 173.810 0.330 1
1 21 . 14 1 1 A 12 12 THR CA C 12 61.245 59.424 1.821 1
1 22 . 14 1 1 A 12 12 THR CB C 12 71.940 71.415 0.525 1
1 24 . 14 1 1 A 12 12 THR N N 12 112.783 112.889 -0.106 1
1 25 . 14 1 1 A 13 13 ILE H H 13 9.201 9.098 0.103 1
1 26 . 14 1 1 A 13 13 ILE HA H 13 4.532 4.796 -0.264 1
1 36 . 14 1 1 A 13 13 ILE C C 13 173.930 175.007 -1.077 1
1 37 . 14 1 1 A 13 13 ILE CA C 13 59.720 59.278 0.442 1
1 38 . 14 1 1 A 13 13 ILE CB C 13 41.597 39.935 1.662 1
1 42 . 14 1 1 A 13 13 ILE N N 13 117.602 120.939 -3.337 1
1 43 . 14 1 1 A 14 14 LYS H H 14 8.077 8.538 -0.461 1
1 44 . 14 1 1 A 14 14 LYS HA H 14 5.110 4.899 0.211 1
1 53 . 14 1 1 A 14 14 LYS C C 14 175.360 175.496 -0.136 1
1 54 . 14 1 1 A 14 14 LYS CA C 14 55.200 56.045 -0.845 1
1 55 . 14 1 1 A 14 14 LYS CB C 14 33.130 33.258 -0.128 1
1 59 . 14 1 1 A 14 14 LYS N N 14 122.699 124.282 -1.583 1
1 60 . 14 1 1 A 15 15 LEU H H 15 8.953 9.233 -0.280 1
1 61 . 14 1 1 A 15 15 LEU HA H 15 5.025 4.990 0.035 1
1 71 . 14 1 1 A 15 15 LEU C C 15 176.400 176.178 0.222 1
1 72 . 14 1 1 A 15 15 LEU CA C 15 53.620 53.003 0.617 1
1 73 . 14 1 1 A 15 15 LEU CB C 15 45.380 45.232 0.148 1
1 77 . 14 1 1 A 15 15 LEU N N 15 121.650 126.505 -4.855 1
1 78 . 14 1 1 A 16 16 THR H H 16 8.412 8.654 -0.242 1
1 79 . 14 1 1 A 16 16 THR HA H 16 5.075 5.126 -0.051 1
1 84 . 14 1 1 A 16 16 THR C C 16 173.070 172.658 0.412 1
1 85 . 14 1 1 A 16 16 THR CA C 16 61.380 61.712 -0.332 1
1 86 . 14 1 1 A 16 16 THR CB C 16 71.700 71.086 0.614 1
1 88 . 14 1 1 A 16 16 THR N N 16 114.701 116.257 -1.556 1
1 89 . 14 1 1 A 17 17 VAL H H 17 9.083 9.085 -0.002 1
1 90 . 14 1 1 A 17 17 VAL HA H 17 4.600 4.957 -0.357 1
1 98 . 14 1 1 A 17 17 VAL C C 17 174.570 174.084 0.486 1
1 99 . 14 1 1 A 17 17 VAL CA C 17 61.005 59.689 1.316 1
1 100 . 14 1 1 A 17 17 VAL CB C 17 33.600 34.079 -0.479 1
1 103 . 14 1 1 A 17 17 VAL N N 17 125.565 128.086 -2.521 1
1 104 . 14 1 1 A 18 18 LYS H H 18 9.183 8.922 0.261 1
1 105 . 14 1 1 A 18 18 LYS HA H 18 5.156 5.094 0.062 1
1 114 . 14 1 1 A 18 18 LYS C C 18 175.150 175.534 -0.384 1
1 115 . 14 1 1 A 18 18 LYS CA C 18 54.630 55.382 -0.752 1
1 116 . 14 1 1 A 18 18 LYS CB C 18 33.217 33.010 0.207 1
1 120 . 14 1 1 A 18 18 LYS N N 18 129.200 127.443 1.757 1
1 121 . 14 1 1 A 19 19 PHE H H 19 8.927 9.384 -0.457 1
1 122 . 14 1 1 A 19 19 PHE HA H 19 5.377 4.562 0.815 1
1 129 . 14 1 1 A 19 19 PHE C C 19 175.850 177.173 -1.323 1
1 130 . 14 1 1 A 19 19 PHE CA C 19 55.330 57.330 -2.000 1
1 131 . 14 1 1 A 19 19 PHE CB C 19 41.690 37.888 3.802 1
1 136 . 14 1 1 A 19 19 PHE N N 19 126.659 125.292 1.367 1
1 139 . 14 1 1 A 20 20 GLY H H 20 9.275 8.580 0.695 1
1 140 . 14 1 1 A 20 20 GLY HA2 H 20 3.580 3.873 -0.293 1
1 141 . 14 1 1 A 20 20 GLY HA3 H 20 3.578 3.903 -0.325 1
1 142 . 14 1 1 A 20 20 GLY C C 20 175.090 174.969 0.121 1
1 143 . 14 1 1 A 20 20 GLY CA C 20 47.070 46.671 0.399 1
1 144 . 14 1 1 A 20 20 GLY N N 20 119.629 113.602 6.027 1
1 145 . 14 1 1 A 21 21 GLY H H 21 8.819 8.643 0.176 1
1 146 . 14 1 1 A 21 21 GLY HA2 H 21 3.942 4.078 -0.136 1
1 147 . 14 1 1 A 21 21 GLY HA3 H 21 3.942 4.083 -0.141 1
1 148 . 14 1 1 A 21 21 GLY C C 21 173.890 174.284 -0.394 1
1 149 . 14 1 1 A 21 21 GLY CA C 21 45.290 45.189 0.101 1
1 150 . 14 1 1 A 21 21 GLY N N 21 111.500 106.877 4.623 1
1 151 . 14 1 1 A 22 22 LYS H H 22 7.975 7.667 0.308 1
1 152 . 14 1 1 A 22 22 LYS HA H 22 4.616 4.368 0.248 1
1 161 . 14 1 1 A 22 22 LYS C C 22 175.450 175.924 -0.474 1
1 162 . 14 1 1 A 22 22 LYS CA C 22 55.514 56.012 -0.498 1
1 163 . 14 1 1 A 22 22 LYS CB C 22 34.790 32.383 2.407 1
1 167 . 14 1 1 A 22 22 LYS N N 22 121.832 121.213 0.619 1
1 168 . 14 1 1 A 23 23 SER H H 23 8.722 8.892 -0.170 1
1 169 . 14 1 1 A 23 23 SER HA H 23 4.841 4.854 -0.013 1
1 172 . 14 1 1 A 23 23 SER C C 23 173.910 173.983 -0.073 1
1 173 . 14 1 1 A 23 23 SER CA C 23 58.344 58.542 -0.198 1
1 174 . 14 1 1 A 23 23 SER CB C 23 64.237 63.716 0.521 1
1 175 . 14 1 1 A 23 23 SER N N 23 119.004 120.974 -1.970 1
1 176 . 14 1 1 A 24 24 ILE H H 24 9.444 9.315 0.129 1
1 177 . 14 1 1 A 24 24 ILE HA H 24 4.502 4.617 -0.115 1
1 187 . 14 1 1 A 24 24 ILE C C 24 173.590 174.705 -1.115 1
1 188 . 14 1 1 A 24 24 ILE CA C 24 59.145 57.637 1.508 1
1 189 . 14 1 1 A 24 24 ILE CB C 24 40.620 39.249 1.371 1
1 193 . 14 1 1 A 24 24 ILE N N 24 129.205 127.596 1.609 1
1 194 . 14 1 1 A 25 25 PRO HA H 25 5.179 5.087 0.092 1
1 201 . 14 1 1 A 25 25 PRO C C 25 176.750 176.206 0.544 1
1 202 . 14 1 1 A 25 25 PRO CA C 25 61.740 62.317 -0.577 1
1 203 . 14 1 1 A 25 25 PRO CB C 25 32.010 31.812 0.198 1
1 206 . 14 1 1 A 26 26 LEU H H 26 8.720 8.862 -0.142 1
1 207 . 14 1 1 A 26 26 LEU HA H 26 4.731 4.959 -0.228 1
1 217 . 14 1 1 A 26 26 LEU C C 26 175.450 175.374 0.076 1
1 218 . 14 1 1 A 26 26 LEU CA C 26 54.731 53.077 1.654 1
1 219 . 14 1 1 A 26 26 LEU CB C 26 47.766 45.744 2.022 1
1 223 . 14 1 1 A 26 26 LEU N N 26 122.986 124.474 -1.488 1
1 224 . 14 1 1 A 27 27 SER H H 27 8.404 8.667 -0.263 1
1 225 . 14 1 1 A 27 27 SER HA H 27 5.504 5.686 -0.182 1
1 228 . 14 1 1 A 27 27 SER C C 27 174.498 173.161 1.337 1
1 229 . 14 1 1 A 27 27 SER CA C 27 57.000 57.703 -0.703 1
1 230 . 14 1 1 A 27 27 SER CB C 27 63.850 65.328 -1.478 1
1 231 . 14 1 1 A 27 27 SER N N 27 118.151 112.803 5.348 1
1 232 . 14 1 1 A 28 28 VAL H H 28 8.743 8.844 -0.101 1
1 233 . 14 1 1 A 28 28 VAL HA H 28 4.792 4.974 -0.182 1
1 241 . 14 1 1 A 28 28 VAL C C 28 174.250 173.735 0.515 1
1 242 . 14 1 1 A 28 28 VAL CA C 28 58.792 59.143 -0.351 1
1 243 . 14 1 1 A 28 28 VAL CB C 28 36.600 35.685 0.915 1
1 246 . 14 1 1 A 28 28 VAL N N 28 118.097 121.541 -3.444 1
1 247 . 14 1 1 A 29 29 SER H H 29 8.694 8.546 0.148 1
1 248 . 14 1 1 A 29 29 SER HA H 29 4.960 4.765 0.195 1
1 251 . 14 1 1 A 29 29 SER C C 29 175.159 174.001 1.158 1
1 252 . 14 1 1 A 29 29 SER CA C 29 55.925 55.187 0.738 1
1 253 . 14 1 1 A 29 29 SER CB C 29 64.080 64.221 -0.141 1
1 254 . 14 1 1 A 29 29 SER N N 29 116.965 118.521 -1.556 1
1 255 . 14 1 1 A 30 30 PRO HA H 30 4.277 4.352 -0.075 1
1 262 . 14 1 1 A 30 30 PRO C C 30 175.705 177.816 -2.111 1
1 263 . 14 1 1 A 30 30 PRO CA C 30 64.825 64.852 -0.027 1
1 264 . 14 1 1 A 30 30 PRO CB C 30 32.074 31.986 0.088 1
1 267 . 14 1 1 A 31 31 ASP H H 31 7.818 8.721 -0.903 1
1 268 . 14 1 1 A 31 31 ASP HA H 31 4.725 4.729 -0.004 1
1 271 . 14 1 1 A 31 31 ASP C C 31 175.040 176.197 -1.157 1
1 272 . 14 1 1 A 31 31 ASP CA C 31 54.160 54.337 -0.177 1
1 273 . 14 1 1 A 31 31 ASP CB C 31 41.590 41.290 0.300 1
1 274 . 14 1 1 A 31 31 ASP N N 31 114.503 117.102 -2.599 1
1 275 . 14 1 1 A 32 32 CYS H H 32 7.657 7.594 0.063 1
1 276 . 14 1 1 A 32 32 CYS HA H 32 4.483 4.708 -0.225 1
1 279 . 14 1 1 A 32 32 CYS C C 32 174.805 175.076 -0.271 1
1 280 . 14 1 1 A 32 32 CYS CA C 32 59.510 58.670 0.840 1
1 281 . 14 1 1 A 32 32 CYS CB C 32 28.010 28.828 -0.818 1
1 282 . 14 1 1 A 32 32 CYS N N 32 119.852 119.466 0.386 1
1 283 . 14 1 1 A 33 33 THR H H 33 8.992 8.802 0.190 1
1 284 . 14 1 1 A 33 33 THR HA H 33 4.861 4.696 0.165 1
1 289 . 14 1 1 A 33 33 THR C C 33 176.350 176.121 0.229 1
1 290 . 14 1 1 A 33 33 THR CA C 33 61.165 61.171 -0.006 1
1 291 . 14 1 1 A 33 33 THR CB C 33 71.968 70.617 1.351 1
1 293 . 14 1 1 A 33 33 THR N N 33 115.278 114.784 0.494 1
1 294 . 14 1 1 A 34 34 VAL H H 34 8.558 9.002 -0.444 1
1 295 . 14 1 1 A 34 34 VAL HA H 34 3.384 3.781 -0.397 1
1 303 . 14 1 1 A 34 34 VAL C C 34 177.880 177.726 0.154 1
1 304 . 14 1 1 A 34 34 VAL CA C 34 67.050 65.448 1.602 1
1 305 . 14 1 1 A 34 34 VAL CB C 34 31.303 31.398 -0.095 1
1 308 . 14 1 1 A 34 34 VAL N N 34 123.274 120.209 3.065 1
1 309 . 14 1 1 A 35 35 LYS H H 35 8.316 7.489 0.827 1
1 310 . 14 1 1 A 35 35 LYS HA H 35 3.758 4.001 -0.243 1
1 319 . 14 1 1 A 35 35 LYS C C 35 178.180 178.293 -0.113 1
1 320 . 14 1 1 A 35 35 LYS CA C 35 60.812 59.221 1.591 1
1 321 . 14 1 1 A 35 35 LYS CB C 35 32.610 31.846 0.764 1
1 325 . 14 1 1 A 35 35 LYS N N 35 119.813 120.942 -1.129 1
1 326 . 14 1 1 A 36 36 ASP H H 36 7.959 8.014 -0.055 1
1 327 . 14 1 1 A 36 36 ASP HA H 36 4.414 4.336 0.078 1
1 330 . 14 1 1 A 36 36 ASP C C 36 179.395 178.770 0.625 1
1 331 . 14 1 1 A 36 36 ASP CA C 36 57.360 57.886 -0.526 1
1 332 . 14 1 1 A 36 36 ASP CB C 36 40.350 42.120 -1.770 1
1 333 . 14 1 1 A 36 36 ASP N N 36 120.728 119.620 1.108 1
1 334 . 14 1 1 A 37 37 LEU H H 37 8.147 8.159 -0.012 1
1 335 . 14 1 1 A 37 37 LEU HA H 37 3.976 4.004 -0.028 1
1 345 . 14 1 1 A 37 37 LEU C C 37 178.630 179.364 -0.734 1
1 346 . 14 1 1 A 37 37 LEU CA C 37 58.210 58.015 0.195 1
1 347 . 14 1 1 A 37 37 LEU CB C 37 41.470 41.487 -0.017 1
1 351 . 14 1 1 A 37 37 LEU N N 37 123.841 119.966 3.875 1
1 352 . 14 1 1 A 38 38 LYS H H 38 8.308 7.961 0.347 1
1 353 . 14 1 1 A 38 38 LYS HA H 38 4.505 4.205 0.300 1
1 362 . 14 1 1 A 38 38 LYS C C 38 180.780 179.616 1.164 1
1 363 . 14 1 1 A 38 38 LYS CA C 38 59.910 59.899 0.011 1
1 364 . 14 1 1 A 38 38 LYS CB C 38 34.270 32.127 2.143 1
1 368 . 14 1 1 A 38 38 LYS N N 38 117.736 117.757 -0.021 1
1 369 . 14 1 1 A 39 39 SER H H 39 7.952 7.904 0.048 1
1 370 . 14 1 1 A 39 39 SER HA H 39 4.230 4.412 -0.182 1
1 373 . 14 1 1 A 39 39 SER C C 39 177.240 176.406 0.834 1
1 374 . 14 1 1 A 39 39 SER CA C 39 62.440 61.103 1.337 1
1 375 . 14 1 1 A 39 39 SER CB C 39 62.670 63.243 -0.573 1
1 376 . 14 1 1 A 39 39 SER N N 39 115.100 114.406 0.694 1
1 377 . 14 1 1 A 40 40 GLN H H 40 7.899 7.068 0.831 1
1 378 . 14 1 1 A 40 40 GLN HA H 40 4.125 4.212 -0.087 1
1 385 . 14 1 1 A 40 40 GLN C C 40 178.330 178.846 -0.516 1
1 386 . 14 1 1 A 40 40 GLN CA C 40 59.045 58.492 0.553 1
1 387 . 14 1 1 A 40 40 GLN CB C 40 28.893 28.482 0.411 1
1 389 . 14 1 1 A 40 40 GLN N N 40 121.600 120.938 0.662 1
1 391 . 14 1 1 A 41 41 LEU H H 41 8.010 8.531 -0.521 1
1 392 . 14 1 1 A 41 41 LEU HA H 41 4.130 4.159 -0.029 1
1 402 . 14 1 1 A 41 41 LEU C C 41 179.980 179.063 0.917 1
1 403 . 14 1 1 A 41 41 LEU CA C 41 56.472 56.998 -0.526 1
1 404 . 14 1 1 A 41 41 LEU CB C 41 42.660 41.520 1.140 1
1 408 . 14 1 1 A 41 41 LEU N N 41 116.657 120.349 -3.692 1
1 409 . 14 1 1 A 42 42 GLN H H 42 7.903 8.172 -0.269 1
1 410 . 14 1 1 A 42 42 GLN HA H 42 4.180 4.084 0.096 1
1 417 . 14 1 1 A 42 42 GLN C C 42 174.350 174.638 -0.288 1
1 418 . 14 1 1 A 42 42 GLN CA C 42 61.300 60.550 0.750 1
1 419 . 14 1 1 A 42 42 GLN CB C 42 25.250 27.320 -2.070 1
1 421 . 14 1 1 A 42 42 GLN N N 42 125.104 118.634 6.470 1
1 423 . 14 1 1 A 43 43 PRO HA H 43 4.410 4.415 -0.005 1
1 430 . 14 1 1 A 43 43 PRO C C 43 177.270 177.791 -0.521 1
1 431 . 14 1 1 A 43 43 PRO CA C 43 65.130 65.095 0.035 1
1 432 . 14 1 1 A 43 43 PRO CB C 43 31.208 31.409 -0.201 1
1 435 . 14 1 1 A 44 44 ILE H H 44 6.568 7.948 -1.380 1
1 436 . 14 1 1 A 44 44 ILE HA H 44 3.959 4.126 -0.167 1
1 446 . 14 1 1 A 44 44 ILE C C 44 177.060 177.883 -0.823 1
1 447 . 14 1 1 A 44 44 ILE CA C 44 63.670 62.434 1.236 1
1 448 . 14 1 1 A 44 44 ILE CB C 44 40.270 39.025 1.245 1
1 452 . 14 1 1 A 44 44 ILE N N 44 114.765 116.548 -1.783 1
1 453 . 14 1 1 A 45 45 THR H H 45 7.826 8.493 -0.667 1
1 454 . 14 1 1 A 45 45 THR HA H 45 4.202 4.180 0.022 1
1 459 . 14 1 1 A 45 45 THR C C 45 174.990 174.892 0.098 1
1 460 . 14 1 1 A 45 45 THR CA C 45 62.696 62.341 0.355 1
1 461 . 14 1 1 A 45 45 THR CB C 45 71.682 69.951 1.731 1
1 463 . 14 1 1 A 45 45 THR N N 45 107.323 110.574 -3.251 1
1 464 . 14 1 1 A 46 46 ASN H H 46 8.660 7.765 0.895 1
1 465 . 14 1 1 A 46 46 ASN HA H 46 4.381 4.511 -0.130 1
1 470 . 14 1 1 A 46 46 ASN C C 46 173.900 173.266 0.634 1
1 471 . 14 1 1 A 46 46 ASN CA C 46 54.890 54.578 0.312 1
1 472 . 14 1 1 A 46 46 ASN CB C 46 38.207 36.875 1.332 1
1 473 . 14 1 1 A 46 46 ASN N N 46 117.586 116.149 1.437 1
1 475 . 14 1 1 A 47 47 VAL H H 47 7.517 7.837 -0.320 1
1 476 . 14 1 1 A 47 47 VAL HA H 47 4.134 4.695 -0.561 1
1 484 . 14 1 1 A 47 47 VAL C C 47 176.140 174.843 1.297 1
1 485 . 14 1 1 A 47 47 VAL CA C 47 61.763 59.808 1.955 1
1 486 . 14 1 1 A 47 47 VAL CB C 47 32.925 34.239 -1.314 1
1 489 . 14 1 1 A 47 47 VAL N N 47 119.901 117.602 2.299 1
1 490 . 14 1 1 A 48 48 LEU H H 48 8.650 8.585 0.065 1
1 491 . 14 1 1 A 48 48 LEU HA H 48 4.194 4.427 -0.233 1
1 501 . 14 1 1 A 48 48 LEU C C 48 177.110 176.923 0.187 1
1 502 . 14 1 1 A 48 48 LEU CA C 48 54.491 53.465 1.026 1
1 503 . 14 1 1 A 48 48 LEU CB C 48 41.171 41.278 -0.107 1
1 507 . 14 1 1 A 48 48 LEU N N 48 128.467 128.347 0.120 1
1 508 . 14 1 1 A 49 49 PRO HA H 49 3.923 4.260 -0.337 1
1 515 . 14 1 1 A 49 49 PRO C C 49 178.430 177.863 0.567 1
1 516 . 14 1 1 A 49 49 PRO CA C 49 67.000 65.172 1.828 1
1 517 . 14 1 1 A 49 49 PRO CB C 49 32.456 32.050 0.406 1
1 520 . 14 1 1 A 50 50 ARG H H 50 8.331 8.146 0.185 1
1 521 . 14 1 1 A 50 50 ARG HA H 50 4.239 4.021 0.218 1
1 528 . 14 1 1 A 50 50 ARG C C 50 176.940 178.831 -1.891 1
1 529 . 14 1 1 A 50 50 ARG CA C 50 58.130 59.587 -1.457 1
1 530 . 14 1 1 A 50 50 ARG CB C 50 29.200 29.841 -0.641 1
1 533 . 14 1 1 A 50 50 ARG N N 50 114.500 118.528 -4.028 1
1 534 . 14 1 1 A 51 51 GLY H H 51 8.199 8.169 0.030 1
1 535 . 14 1 1 A 51 51 GLY HA2 H 51 3.605 3.729 -0.124 1
1 536 . 14 1 1 A 51 51 GLY HA3 H 51 4.335 3.736 0.599 1
1 537 . 14 1 1 A 51 51 GLY C C 51 173.340 175.196 -1.856 1
1 538 . 14 1 1 A 51 51 GLY CA C 51 44.750 47.076 -2.326 1
1 539 . 14 1 1 A 51 51 GLY N N 51 107.942 106.965 0.977 1
1 540 . 14 1 1 A 52 52 GLN H H 52 7.475 7.975 -0.500 1
1 541 . 14 1 1 A 52 52 GLN HA H 52 4.315 4.398 -0.083 1
1 548 . 14 1 1 A 52 52 GLN C C 52 175.770 174.694 1.076 1
1 549 . 14 1 1 A 52 52 GLN CA C 52 56.023 55.147 0.876 1
1 550 . 14 1 1 A 52 52 GLN CB C 52 31.494 27.616 3.878 1
1 552 . 14 1 1 A 52 52 GLN N N 52 119.769 119.419 0.350 1
1 554 . 14 1 1 A 53 53 LYS H H 53 8.586 8.746 -0.160 1
1 555 . 14 1 1 A 53 53 LYS HA H 53 4.500 4.635 -0.135 1
1 564 . 14 1 1 A 53 53 LYS C C 53 174.080 175.352 -1.272 1
1 565 . 14 1 1 A 53 53 LYS CA C 53 55.950 55.173 0.777 1
1 566 . 14 1 1 A 53 53 LYS CB C 53 34.690 32.194 2.496 1
1 570 . 14 1 1 A 53 53 LYS N N 53 123.759 124.992 -1.233 1
1 571 . 14 1 1 A 54 54 LEU H H 54 8.900 8.613 0.287 1
1 572 . 14 1 1 A 54 54 LEU HA H 54 5.271 4.579 0.692 1
1 582 . 14 1 1 A 54 54 LEU C C 54 174.940 176.252 -1.312 1
1 583 . 14 1 1 A 54 54 LEU CA C 54 53.250 54.462 -1.212 1
1 584 . 14 1 1 A 54 54 LEU CB C 54 45.042 40.714 4.328 1
1 588 . 14 1 1 A 54 54 LEU N N 54 126.200 125.743 0.457 1
1 589 . 14 1 1 A 55 55 ILE H H 55 9.330 9.400 -0.070 1
1 590 . 14 1 1 A 55 55 ILE HA H 55 4.886 5.252 -0.366 1
1 600 . 14 1 1 A 55 55 ILE C C 55 175.623 174.897 0.726 1
1 601 . 14 1 1 A 55 55 ILE CA C 55 59.402 60.452 -1.050 1
1 602 . 14 1 1 A 55 55 ILE CB C 55 40.270 38.612 1.658 1
1 606 . 14 1 1 A 55 55 ILE N N 55 123.589 125.674 -2.085 1
1 607 . 14 1 1 A 56 56 PHE H H 56 9.241 9.210 0.031 1
1 608 . 14 1 1 A 56 56 PHE HA H 56 5.212 4.931 0.281 1
1 615 . 14 1 1 A 56 56 PHE C C 56 174.600 174.772 -0.172 1
1 616 . 14 1 1 A 56 56 PHE CA C 56 55.936 57.293 -1.357 1
1 617 . 14 1 1 A 56 56 PHE CB C 56 42.830 42.228 0.602 1
1 622 . 14 1 1 A 56 56 PHE N N 56 127.423 127.556 -0.133 1
1 625 . 14 1 1 A 57 57 LYS H H 57 9.307 9.450 -0.143 1
1 626 . 14 1 1 A 57 57 LYS HA H 57 3.630 3.640 -0.010 1
1 635 . 14 1 1 A 57 57 LYS C C 57 176.620 176.526 0.094 1
1 636 . 14 1 1 A 57 57 LYS CA C 57 57.495 57.090 0.405 1
1 637 . 14 1 1 A 57 57 LYS CB C 57 30.100 29.856 0.244 1
1 641 . 14 1 1 A 57 57 LYS N N 57 128.612 128.226 0.386 1
1 642 . 14 1 1 A 58 58 GLY H H 58 8.288 8.504 -0.216 1
1 643 . 14 1 1 A 58 58 GLY HA2 H 58 3.487 3.803 -0.316 1
1 644 . 14 1 1 A 58 58 GLY HA3 H 58 4.098 3.816 0.282 1
1 645 . 14 1 1 A 58 58 GLY C C 58 173.568 173.536 0.032 1
1 646 . 14 1 1 A 58 58 GLY CA C 58 45.475 45.452 0.023 1
1 647 . 14 1 1 A 58 58 GLY N N 58 102.757 105.161 -2.404 1
1 648 . 14 1 1 A 59 59 LYS H H 59 7.900 7.522 0.378 1
1 649 . 14 1 1 A 59 59 LYS HA H 59 4.667 4.719 -0.052 1
1 658 . 14 1 1 A 59 59 LYS C C 59 174.830 174.942 -0.112 1
1 659 . 14 1 1 A 59 59 LYS CA C 59 55.222 54.586 0.636 1
1 660 . 14 1 1 A 59 59 LYS CB C 59 35.010 35.307 -0.297 1
1 664 . 14 1 1 A 59 59 LYS N N 59 121.753 121.365 0.388 1
1 665 . 14 1 1 A 60 60 VAL H H 60 8.587 8.554 0.033 1
1 666 . 14 1 1 A 60 60 VAL HA H 60 4.209 4.427 -0.218 1
1 674 . 14 1 1 A 60 60 VAL C C 60 177.380 175.994 1.386 1
1 675 . 14 1 1 A 60 60 VAL CA C 60 63.080 62.764 0.316 1
1 676 . 14 1 1 A 60 60 VAL CB C 60 32.101 31.981 0.120 1
1 679 . 14 1 1 A 60 60 VAL N N 60 123.795 126.289 -2.494 1
1 680 . 14 1 1 A 61 61 LEU H H 61 8.876 8.415 0.461 1
1 681 . 14 1 1 A 61 61 LEU HA H 61 4.430 4.339 0.091 1
1 691 . 14 1 1 A 61 61 LEU C C 61 176.660 177.716 -1.056 1
1 692 . 14 1 1 A 61 61 LEU CA C 61 54.760 55.322 -0.562 1
1 693 . 14 1 1 A 61 61 LEU CB C 61 43.060 42.153 0.907 1
1 697 . 14 1 1 A 61 61 LEU N N 61 129.083 129.258 -0.175 1
1 698 . 14 1 1 A 62 62 VAL H H 62 8.759 8.571 0.188 1
1 699 . 14 1 1 A 62 62 VAL HA H 62 3.989 4.020 -0.031 1
1 707 . 14 1 1 A 62 62 VAL C C 62 178.390 177.117 1.273 1
1 708 . 14 1 1 A 62 62 VAL CA C 62 63.077 63.671 -0.594 1
1 709 . 14 1 1 A 62 62 VAL CB C 62 32.440 31.955 0.485 1
1 712 . 14 1 1 A 62 62 VAL N N 62 124.193 122.708 1.485 1
1 713 . 14 1 1 A 63 63 GLU H H 63 8.806 8.834 -0.028 1
1 714 . 14 1 1 A 63 63 GLU HA H 63 3.757 3.961 -0.204 1
1 719 . 14 1 1 A 63 63 GLU C C 63 176.500 178.213 -1.713 1
1 720 . 14 1 1 A 63 63 GLU CA C 63 60.509 60.177 0.332 1
1 721 . 14 1 1 A 63 63 GLU CB C 63 30.580 29.414 1.166 1
1 723 . 14 1 1 A 63 63 GLU N N 63 125.296 125.460 -0.164 1
1 724 . 14 1 1 A 64 64 THR H H 64 7.100 7.608 -0.508 1
1 725 . 14 1 1 A 64 64 THR HA H 64 4.279 4.325 -0.046 1
1 730 . 14 1 1 A 64 64 THR C C 64 175.290 174.557 0.733 1
1 731 . 14 1 1 A 64 64 THR CA C 64 61.466 62.344 -0.878 1
1 732 . 14 1 1 A 64 64 THR CB C 64 68.840 69.329 -0.489 1
1 734 . 14 1 1 A 64 64 THR N N 64 102.822 110.886 -8.064 1
1 735 . 14 1 1 A 65 65 SER H H 65 7.749 7.627 0.122 1
1 736 . 14 1 1 A 65 65 SER HA H 65 4.676 4.655 0.021 1
1 739 . 14 1 1 A 65 65 SER C C 65 174.300 174.105 0.195 1
1 740 . 14 1 1 A 65 65 SER CA C 65 58.060 57.265 0.795 1
1 741 . 14 1 1 A 65 65 SER CB C 65 64.950 64.370 0.580 1
1 742 . 14 1 1 A 65 65 SER N N 65 117.966 119.623 -1.657 1
1 743 . 14 1 1 A 66 66 THR H H 66 8.512 8.741 -0.229 1
1 744 . 14 1 1 A 66 66 THR HA H 66 5.032 5.027 0.005 1
1 750 . 14 1 1 A 66 66 THR C C 66 177.300 176.241 1.059 1
1 751 . 14 1 1 A 66 66 THR CA C 66 60.200 60.242 -0.042 1
1 752 . 14 1 1 A 66 66 THR CB C 66 71.550 71.442 0.108 1
1 754 . 14 1 1 A 66 66 THR N N 66 111.490 115.924 -4.434 1
1 755 . 14 1 1 A 67 67 LEU H H 67 8.451 8.582 -0.131 1
1 756 . 14 1 1 A 67 67 LEU HA H 67 3.753 3.929 -0.176 1
1 766 . 14 1 1 A 67 67 LEU C C 67 179.170 179.003 0.167 1
1 767 . 14 1 1 A 67 67 LEU CA C 67 59.234 58.373 0.861 1
1 768 . 14 1 1 A 67 67 LEU CB C 67 38.897 41.461 -2.564 1
1 772 . 14 1 1 A 67 67 LEU N N 67 122.302 123.260 -0.958 1
1 773 . 14 1 1 A 68 68 LYS H H 68 8.313 8.132 0.181 1
1 774 . 14 1 1 A 68 68 LYS HA H 68 4.090 3.920 0.170 1
1 783 . 14 1 1 A 68 68 LYS C C 68 180.950 178.785 2.165 1
1 784 . 14 1 1 A 68 68 LYS CA C 68 59.620 58.982 0.638 1
1 785 . 14 1 1 A 68 68 LYS CB C 68 32.490 31.894 0.596 1
1 789 . 14 1 1 A 68 68 LYS N N 68 120.066 120.094 -0.028 1
1 790 . 14 1 1 A 69 69 GLN H H 69 8.019 7.785 0.234 1
1 791 . 14 1 1 A 69 69 GLN HA H 69 4.086 4.187 -0.101 1
1 798 . 14 1 1 A 69 69 GLN C C 69 177.840 176.555 1.285 1
1 799 . 14 1 1 A 69 69 GLN CA C 69 58.260 58.137 0.123 1
1 800 . 14 1 1 A 69 69 GLN CB C 69 28.580 28.788 -0.208 1
1 802 . 14 1 1 A 69 69 GLN N N 69 119.594 117.569 2.025 1
1 804 . 14 1 1 A 70 70 SER H H 70 7.544 7.606 -0.062 1
1 805 . 14 1 1 A 70 70 SER HA H 70 4.517 4.668 -0.151 1
1 808 . 14 1 1 A 70 70 SER C C 70 171.870 173.659 -1.789 1
1 809 . 14 1 1 A 70 70 SER CA C 70 58.920 57.690 1.230 1
1 810 . 14 1 1 A 70 70 SER CB C 70 64.446 63.026 1.420 1
1 811 . 14 1 1 A 70 70 SER N N 70 114.028 113.024 1.004 1
1 812 . 14 1 1 A 71 71 ASP H H 71 7.882 8.155 -0.273 1
1 813 . 14 1 1 A 71 71 ASP HA H 71 4.278 4.358 -0.080 1
1 816 . 14 1 1 A 71 71 ASP C C 71 174.050 175.328 -1.278 1
1 817 . 14 1 1 A 71 71 ASP CA C 71 55.660 55.585 0.075 1
1 818 . 14 1 1 A 71 71 ASP CB C 71 39.540 40.289 -0.749 1
1 819 . 14 1 1 A 71 71 ASP N N 71 116.055 118.019 -1.964 1
1 820 . 14 1 1 A 72 72 VAL H H 72 7.723 7.899 -0.176 1
1 821 . 14 1 1 A 72 72 VAL HA H 72 3.285 3.972 -0.687 1
1 829 . 14 1 1 A 72 72 VAL C C 72 173.980 175.725 -1.745 1
1 830 . 14 1 1 A 72 72 VAL CA C 72 62.744 60.783 1.961 1
1 831 . 14 1 1 A 72 72 VAL CB C 72 30.727 32.406 -1.679 1
1 834 . 14 1 1 A 72 72 VAL N N 72 119.423 119.406 0.017 1
1 835 . 14 1 1 A 73 73 GLY H H 73 7.722 8.542 -0.820 1
1 836 . 14 1 1 A 73 73 GLY HA2 H 73 3.590 4.163 -0.573 1
1 837 . 14 1 1 A 73 73 GLY HA3 H 73 4.416 4.182 0.234 1
1 838 . 14 1 1 A 73 73 GLY C C 73 172.450 173.352 -0.902 1
1 839 . 14 1 1 A 73 73 GLY CA C 73 42.820 45.498 -2.678 1
1 840 . 14 1 1 A 73 73 GLY N N 73 114.445 114.098 0.347 1
1 841 . 14 1 1 A 74 74 SER H H 74 8.552 8.546 0.006 1
1 842 . 14 1 1 A 74 74 SER HA H 74 4.365 4.330 0.035 1
1 845 . 14 1 1 A 74 74 SER C C 74 177.240 175.142 2.098 1
1 846 . 14 1 1 A 74 74 SER CA C 74 60.420 59.805 0.615 1
1 847 . 14 1 1 A 74 74 SER CB C 74 63.350 62.520 0.830 1
1 848 . 14 1 1 A 74 74 SER N N 74 111.883 114.406 -2.523 1
1 849 . 14 1 1 A 75 75 GLY H H 75 9.718 9.027 0.691 1
1 850 . 14 1 1 A 75 75 GLY HA2 H 75 3.693 3.842 -0.149 1
1 851 . 14 1 1 A 75 75 GLY HA3 H 75 4.328 3.847 0.481 1
1 852 . 14 1 1 A 75 75 GLY C C 75 174.500 174.734 -0.234 1
1 853 . 14 1 1 A 75 75 GLY CA C 75 44.990 46.041 -1.051 1
1 854 . 14 1 1 A 75 75 GLY N N 75 115.986 113.456 2.530 1
1 855 . 14 1 1 A 76 76 ALA H H 76 7.939 7.852 0.087 1
1 856 . 14 1 1 A 76 76 ALA HA H 76 4.363 4.321 0.042 1
1 860 . 14 1 1 A 76 76 ALA C C 76 176.170 176.893 -0.723 1
1 861 . 14 1 1 A 76 76 ALA CA C 76 53.372 51.581 1.791 1
1 862 . 14 1 1 A 76 76 ALA CB C 76 21.400 19.634 1.766 1
1 863 . 14 1 1 A 76 76 ALA N N 76 123.830 123.493 0.337 1
1 864 . 14 1 1 A 77 77 LYS H H 77 8.435 8.894 -0.459 1
1 865 . 14 1 1 A 77 77 LYS HA H 77 5.195 4.694 0.501 1
1 874 . 14 1 1 A 77 77 LYS C C 77 175.450 175.470 -0.020 1
1 875 . 14 1 1 A 77 77 LYS CA C 77 54.930 55.905 -0.975 1
1 876 . 14 1 1 A 77 77 LYS CB C 77 33.520 32.100 1.420 1
1 880 . 14 1 1 A 77 77 LYS N N 77 120.636 124.278 -3.642 1
1 881 . 14 1 1 A 78 78 LEU H H 78 9.016 9.051 -0.035 1
1 882 . 14 1 1 A 78 78 LEU HA H 78 5.225 4.884 0.341 1
1 892 . 14 1 1 A 78 78 LEU C C 78 175.970 176.301 -0.331 1
1 893 . 14 1 1 A 78 78 LEU CA C 78 53.700 54.113 -0.413 1
1 894 . 14 1 1 A 78 78 LEU CB C 78 45.250 43.234 2.016 1
1 898 . 14 1 1 A 78 78 LEU N N 78 123.751 126.527 -2.776 1
1 899 . 14 1 1 A 79 79 MET H H 79 8.983 8.734 0.249 1
1 900 . 14 1 1 A 79 79 MET HA H 79 5.163 5.163 0.000 1
1 905 . 14 1 1 A 79 79 MET C C 79 173.970 173.974 -0.004 1
1 906 . 14 1 1 A 79 79 MET CA C 79 55.508 54.147 1.361 1
1 907 . 14 1 1 A 79 79 MET CB C 79 35.180 35.338 -0.158 1
1 909 . 14 1 1 A 79 79 MET N N 79 120.990 124.296 -3.306 1
1 910 . 14 1 1 A 80 80 LEU H H 80 8.905 8.906 -0.001 1
1 911 . 14 1 1 A 80 80 LEU HA H 80 5.235 5.043 0.192 1
1 921 . 14 1 1 A 80 80 LEU C C 80 174.730 174.829 -0.099 1
1 922 . 14 1 1 A 80 80 LEU CA C 80 54.071 53.448 0.623 1
1 923 . 14 1 1 A 80 80 LEU CB C 80 43.540 45.024 -1.484 1
1 927 . 14 1 1 A 81 81 MET H H 81 9.229 8.687 0.542 1
1 928 . 14 1 1 A 81 81 MET HA H 81 4.960 4.583 0.377 1
1 936 . 14 1 1 A 81 81 MET C C 81 174.450 175.389 -0.939 1
1 937 . 14 1 1 A 81 81 MET CA C 81 53.830 55.007 -1.177 1
1 938 . 14 1 1 A 81 81 MET CB C 81 34.810 31.725 3.085 1
1 941 . 14 1 1 A 81 81 MET N N 81 125.712 127.763 -2.051 1
1 942 . 14 1 1 A 82 82 ALA H H 82 8.891 8.496 0.395 1
1 943 . 14 1 1 A 82 82 ALA HA H 82 5.043 5.171 -0.128 1
1 947 . 14 1 1 A 82 82 ALA C C 82 177.470 176.267 1.203 1
1 948 . 14 1 1 A 82 82 ALA CA C 82 51.010 50.497 0.513 1
1 949 . 14 1 1 A 82 82 ALA CB C 82 21.124 19.857 1.267 1
1 950 . 14 1 1 A 82 82 ALA N N 82 126.315 129.406 -3.091 1
1 951 . 14 1 1 A 83 83 SER H H 83 8.719 8.996 -0.277 1
1 952 . 14 1 1 A 83 83 SER HA H 83 4.497 5.134 -0.637 1
1 955 . 14 1 1 A 83 83 SER C C 83 174.360 173.042 1.318 1
1 956 . 14 1 1 A 83 83 SER CA C 83 58.534 56.511 2.023 1
1 957 . 14 1 1 A 83 83 SER CB C 83 64.140 65.611 -1.471 1
1 958 . 14 1 1 A 83 83 SER N N 83 117.987 118.621 -0.634 1
1 959 . 14 1 1 A 84 84 GLN H H 84 8.629 8.667 -0.038 1
1 960 . 14 1 1 A 84 84 GLN HA H 84 4.449 4.582 -0.133 1
1 967 . 14 1 1 A 84 84 GLN C C 84 175.370 175.724 -0.354 1
1 968 . 14 1 1 A 84 84 GLN CA C 84 55.890 55.149 0.741 1
1 969 . 14 1 1 A 84 84 GLN CB C 84 29.860 29.405 0.455 1
1 971 . 14 1 1 A 84 84 GLN N N 84 122.746 123.080 -0.334 1
1 1 . 15 1 1 A 10 10 HIS HA H 10 4.506 4.836 -0.330 1
1 4 . 15 1 1 A 10 10 HIS C C 10 176.040 174.003 2.037 1
1 5 . 15 1 1 A 10 10 HIS CA C 10 55.850 54.947 0.903 1
1 6 . 15 1 1 A 10 10 HIS CB C 10 33.250 29.400 3.850 1
1 7 . 15 1 1 A 11 11 SER H H 11 8.462 8.107 0.355 1
1 8 . 15 1 1 A 11 11 SER HA H 11 4.516 4.820 -0.304 1
1 10 . 15 1 1 A 11 11 SER C C 11 174.050 172.346 1.704 1
1 11 . 15 1 1 A 11 11 SER CA C 11 59.054 56.674 2.380 1
1 12 . 15 1 1 A 11 11 SER CB C 11 63.850 66.666 -2.816 1
1 13 . 15 1 1 A 11 11 SER N N 11 117.900 119.160 -1.260 1
1 14 . 15 1 1 A 12 12 THR H H 12 7.923 8.300 -0.377 1
1 15 . 15 1 1 A 12 12 THR HA H 12 4.581 4.574 0.007 1
1 20 . 15 1 1 A 12 12 THR C C 12 174.140 174.318 -0.178 1
1 21 . 15 1 1 A 12 12 THR CA C 12 61.245 60.943 0.302 1
1 22 . 15 1 1 A 12 12 THR CB C 12 71.940 69.844 2.096 1
1 24 . 15 1 1 A 12 12 THR N N 12 112.783 112.020 0.763 1
1 25 . 15 1 1 A 13 13 ILE H H 13 9.201 8.783 0.418 1
1 26 . 15 1 1 A 13 13 ILE HA H 13 4.532 4.616 -0.084 1
1 36 . 15 1 1 A 13 13 ILE C C 13 173.930 175.443 -1.513 1
1 37 . 15 1 1 A 13 13 ILE CA C 13 59.720 60.108 -0.388 1
1 38 . 15 1 1 A 13 13 ILE CB C 13 41.597 38.995 2.602 1
1 42 . 15 1 1 A 13 13 ILE N N 13 117.602 122.580 -4.978 1
1 43 . 15 1 1 A 14 14 LYS H H 14 8.077 8.485 -0.408 1
1 44 . 15 1 1 A 14 14 LYS HA H 14 5.110 4.952 0.158 1
1 53 . 15 1 1 A 14 14 LYS C C 14 175.360 175.279 0.081 1
1 54 . 15 1 1 A 14 14 LYS CA C 14 55.200 55.978 -0.778 1
1 55 . 15 1 1 A 14 14 LYS CB C 14 33.130 33.167 -0.037 1
1 59 . 15 1 1 A 14 14 LYS N N 14 122.699 124.537 -1.838 1
1 60 . 15 1 1 A 15 15 LEU H H 15 8.953 9.457 -0.504 1
1 61 . 15 1 1 A 15 15 LEU HA H 15 5.025 5.078 -0.053 1
1 71 . 15 1 1 A 15 15 LEU C C 15 176.400 176.148 0.252 1
1 72 . 15 1 1 A 15 15 LEU CA C 15 53.620 53.294 0.326 1
1 73 . 15 1 1 A 15 15 LEU CB C 15 45.380 45.080 0.300 1
1 77 . 15 1 1 A 15 15 LEU N N 15 121.650 126.529 -4.879 1
1 78 . 15 1 1 A 16 16 THR H H 16 8.412 8.927 -0.515 1
1 79 . 15 1 1 A 16 16 THR HA H 16 5.075 4.776 0.299 1
1 84 . 15 1 1 A 16 16 THR C C 16 173.070 172.614 0.456 1
1 85 . 15 1 1 A 16 16 THR CA C 16 61.380 62.152 -0.772 1
1 86 . 15 1 1 A 16 16 THR CB C 16 71.700 69.493 2.207 1
1 88 . 15 1 1 A 16 16 THR N N 16 114.701 119.214 -4.513 1
1 89 . 15 1 1 A 17 17 VAL H H 17 9.083 9.018 0.065 1
1 90 . 15 1 1 A 17 17 VAL HA H 17 4.600 4.838 -0.238 1
1 98 . 15 1 1 A 17 17 VAL C C 17 174.570 174.123 0.447 1
1 99 . 15 1 1 A 17 17 VAL CA C 17 61.005 59.878 1.127 1
1 100 . 15 1 1 A 17 17 VAL CB C 17 33.600 34.187 -0.587 1
1 103 . 15 1 1 A 17 17 VAL N N 17 125.565 127.796 -2.231 1
1 104 . 15 1 1 A 18 18 LYS H H 18 9.183 8.759 0.424 1
1 105 . 15 1 1 A 18 18 LYS HA H 18 5.156 4.820 0.336 1
1 114 . 15 1 1 A 18 18 LYS C C 18 175.150 176.113 -0.963 1
1 115 . 15 1 1 A 18 18 LYS CA C 18 54.630 55.335 -0.705 1
1 116 . 15 1 1 A 18 18 LYS CB C 18 33.217 33.276 -0.059 1
1 120 . 15 1 1 A 18 18 LYS N N 18 129.200 127.107 2.093 1
1 121 . 15 1 1 A 19 19 PHE H H 19 8.927 9.169 -0.242 1
1 122 . 15 1 1 A 19 19 PHE HA H 19 5.377 4.774 0.603 1
1 129 . 15 1 1 A 19 19 PHE C C 19 175.850 177.471 -1.621 1
1 130 . 15 1 1 A 19 19 PHE CA C 19 55.330 57.867 -2.537 1
1 131 . 15 1 1 A 19 19 PHE CB C 19 41.690 40.390 1.300 1
1 136 . 15 1 1 A 19 19 PHE N N 19 126.659 126.416 0.243 1
1 139 . 15 1 1 A 20 20 GLY H H 20 9.275 9.106 0.169 1
1 140 . 15 1 1 A 20 20 GLY HA2 H 20 3.580 3.902 -0.322 1
1 141 . 15 1 1 A 20 20 GLY HA3 H 20 3.578 3.959 -0.381 1
1 142 . 15 1 1 A 20 20 GLY C C 20 175.090 175.170 -0.080 1
1 143 . 15 1 1 A 20 20 GLY CA C 20 47.070 47.572 -0.502 1
1 144 . 15 1 1 A 20 20 GLY N N 20 119.629 111.080 8.549 1
1 145 . 15 1 1 A 21 21 GLY H H 21 8.819 8.095 0.724 1
1 146 . 15 1 1 A 21 21 GLY HA2 H 21 3.942 4.141 -0.199 1
1 147 . 15 1 1 A 21 21 GLY HA3 H 21 3.942 4.155 -0.213 1
1 148 . 15 1 1 A 21 21 GLY C C 21 173.890 173.996 -0.106 1
1 149 . 15 1 1 A 21 21 GLY CA C 21 45.290 45.792 -0.502 1
1 150 . 15 1 1 A 21 21 GLY N N 21 111.500 108.360 3.140 1
1 151 . 15 1 1 A 22 22 LYS H H 22 7.975 7.618 0.357 1
1 152 . 15 1 1 A 22 22 LYS HA H 22 4.616 4.761 -0.145 1
1 161 . 15 1 1 A 22 22 LYS C C 22 175.450 175.608 -0.158 1
1 162 . 15 1 1 A 22 22 LYS CA C 22 55.514 54.869 0.645 1
1 163 . 15 1 1 A 22 22 LYS CB C 22 34.790 34.036 0.754 1
1 167 . 15 1 1 A 22 22 LYS N N 22 121.832 119.537 2.295 1
1 168 . 15 1 1 A 23 23 SER H H 23 8.722 9.008 -0.286 1
1 169 . 15 1 1 A 23 23 SER HA H 23 4.841 5.488 -0.647 1
1 172 . 15 1 1 A 23 23 SER C C 23 173.910 172.834 1.076 1
1 173 . 15 1 1 A 23 23 SER CA C 23 58.344 56.757 1.587 1
1 174 . 15 1 1 A 23 23 SER CB C 23 64.237 65.123 -0.886 1
1 175 . 15 1 1 A 23 23 SER N N 23 119.004 112.615 6.389 1
1 176 . 15 1 1 A 24 24 ILE H H 24 9.444 9.358 0.086 1
1 177 . 15 1 1 A 24 24 ILE HA H 24 4.502 4.644 -0.142 1
1 187 . 15 1 1 A 24 24 ILE C C 24 173.590 174.871 -1.281 1
1 188 . 15 1 1 A 24 24 ILE CA C 24 59.145 57.773 1.372 1
1 189 . 15 1 1 A 24 24 ILE CB C 24 40.620 39.229 1.391 1
1 193 . 15 1 1 A 24 24 ILE N N 24 129.205 126.823 2.382 1
1 194 . 15 1 1 A 25 25 PRO HA H 25 5.179 4.984 0.195 1
1 201 . 15 1 1 A 25 25 PRO C C 25 176.750 176.041 0.709 1
1 202 . 15 1 1 A 25 25 PRO CA C 25 61.740 61.869 -0.129 1
1 203 . 15 1 1 A 25 25 PRO CB C 25 32.010 31.478 0.532 1
1 206 . 15 1 1 A 26 26 LEU H H 26 8.720 9.036 -0.316 1
1 207 . 15 1 1 A 26 26 LEU HA H 26 4.731 5.013 -0.282 1
1 217 . 15 1 1 A 26 26 LEU C C 26 175.450 175.926 -0.476 1
1 218 . 15 1 1 A 26 26 LEU CA C 26 54.731 53.115 1.616 1
1 219 . 15 1 1 A 26 26 LEU CB C 26 47.766 45.510 2.256 1
1 223 . 15 1 1 A 26 26 LEU N N 26 122.986 124.800 -1.814 1
1 224 . 15 1 1 A 27 27 SER H H 27 8.404 8.896 -0.492 1
1 225 . 15 1 1 A 27 27 SER HA H 27 5.504 5.550 -0.046 1
1 228 . 15 1 1 A 27 27 SER C C 27 174.498 173.309 1.189 1
1 229 . 15 1 1 A 27 27 SER CA C 27 57.000 57.011 -0.011 1
1 230 . 15 1 1 A 27 27 SER CB C 27 63.850 65.265 -1.415 1
1 231 . 15 1 1 A 27 27 SER N N 27 118.151 113.647 4.504 1
1 232 . 15 1 1 A 28 28 VAL H H 28 8.743 8.889 -0.146 1
1 233 . 15 1 1 A 28 28 VAL HA H 28 4.792 5.035 -0.243 1
1 241 . 15 1 1 A 28 28 VAL C C 28 174.250 174.315 -0.065 1
1 242 . 15 1 1 A 28 28 VAL CA C 28 58.792 59.136 -0.344 1
1 243 . 15 1 1 A 28 28 VAL CB C 28 36.600 35.755 0.845 1
1 246 . 15 1 1 A 28 28 VAL N N 28 118.097 121.136 -3.039 1
1 247 . 15 1 1 A 29 29 SER H H 29 8.694 8.468 0.226 1
1 248 . 15 1 1 A 29 29 SER HA H 29 4.960 4.997 -0.037 1
1 251 . 15 1 1 A 29 29 SER C C 29 175.159 174.434 0.725 1
1 252 . 15 1 1 A 29 29 SER CA C 29 55.925 55.240 0.685 1
1 253 . 15 1 1 A 29 29 SER CB C 29 64.080 63.901 0.179 1
1 254 . 15 1 1 A 29 29 SER N N 29 116.965 115.561 1.404 1
1 255 . 15 1 1 A 30 30 PRO HA H 30 4.277 4.433 -0.156 1
1 262 . 15 1 1 A 30 30 PRO C C 30 175.705 177.430 -1.725 1
1 263 . 15 1 1 A 30 30 PRO CA C 30 64.825 64.519 0.306 1
1 264 . 15 1 1 A 30 30 PRO CB C 30 32.074 31.706 0.368 1
1 267 . 15 1 1 A 31 31 ASP H H 31 7.818 8.579 -0.761 1
1 268 . 15 1 1 A 31 31 ASP HA H 31 4.725 4.503 0.222 1
1 271 . 15 1 1 A 31 31 ASP C C 31 175.040 176.365 -1.325 1
1 272 . 15 1 1 A 31 31 ASP CA C 31 54.160 55.324 -1.164 1
1 273 . 15 1 1 A 31 31 ASP CB C 31 41.590 41.333 0.257 1
1 274 . 15 1 1 A 31 31 ASP N N 31 114.503 117.870 -3.367 1
1 275 . 15 1 1 A 32 32 CYS H H 32 7.657 7.505 0.152 1
1 276 . 15 1 1 A 32 32 CYS HA H 32 4.483 4.703 -0.220 1
1 279 . 15 1 1 A 32 32 CYS C C 32 174.805 175.016 -0.211 1
1 280 . 15 1 1 A 32 32 CYS CA C 32 59.510 58.692 0.818 1
1 281 . 15 1 1 A 32 32 CYS CB C 32 28.010 28.840 -0.830 1
1 282 . 15 1 1 A 32 32 CYS N N 32 119.852 118.248 1.604 1
1 283 . 15 1 1 A 33 33 THR H H 33 8.992 8.759 0.233 1
1 284 . 15 1 1 A 33 33 THR HA H 33 4.861 4.665 0.196 1
1 289 . 15 1 1 A 33 33 THR C C 33 176.350 176.000 0.350 1
1 290 . 15 1 1 A 33 33 THR CA C 33 61.165 61.078 0.087 1
1 291 . 15 1 1 A 33 33 THR CB C 33 71.968 70.433 1.535 1
1 293 . 15 1 1 A 33 33 THR N N 33 115.278 114.916 0.362 1
1 294 . 15 1 1 A 34 34 VAL H H 34 8.558 8.445 0.113 1
1 295 . 15 1 1 A 34 34 VAL HA H 34 3.384 3.782 -0.398 1
1 303 . 15 1 1 A 34 34 VAL C C 34 177.880 177.799 0.081 1
1 304 . 15 1 1 A 34 34 VAL CA C 34 67.050 65.572 1.478 1
1 305 . 15 1 1 A 34 34 VAL CB C 34 31.303 31.398 -0.095 1
1 308 . 15 1 1 A 34 34 VAL N N 34 123.274 120.653 2.621 1
1 309 . 15 1 1 A 35 35 LYS H H 35 8.316 7.918 0.398 1
1 310 . 15 1 1 A 35 35 LYS HA H 35 3.758 3.942 -0.184 1
1 319 . 15 1 1 A 35 35 LYS C C 35 178.180 178.415 -0.235 1
1 320 . 15 1 1 A 35 35 LYS CA C 35 60.812 59.392 1.420 1
1 321 . 15 1 1 A 35 35 LYS CB C 35 32.610 32.128 0.482 1
1 325 . 15 1 1 A 35 35 LYS N N 35 119.813 120.637 -0.824 1
1 326 . 15 1 1 A 36 36 ASP H H 36 7.959 8.180 -0.221 1
1 327 . 15 1 1 A 36 36 ASP HA H 36 4.414 4.311 0.103 1
1 330 . 15 1 1 A 36 36 ASP C C 36 179.395 178.783 0.612 1
1 331 . 15 1 1 A 36 36 ASP CA C 36 57.360 57.809 -0.449 1
1 332 . 15 1 1 A 36 36 ASP CB C 36 40.350 42.099 -1.749 1
1 333 . 15 1 1 A 36 36 ASP N N 36 120.728 119.953 0.775 1
1 334 . 15 1 1 A 37 37 LEU H H 37 8.147 8.361 -0.214 1
1 335 . 15 1 1 A 37 37 LEU HA H 37 3.976 3.926 0.050 1
1 345 . 15 1 1 A 37 37 LEU C C 37 178.630 179.211 -0.581 1
1 346 . 15 1 1 A 37 37 LEU CA C 37 58.210 58.004 0.206 1
1 347 . 15 1 1 A 37 37 LEU CB C 37 41.470 41.593 -0.123 1
1 351 . 15 1 1 A 37 37 LEU N N 37 123.841 120.088 3.753 1
1 352 . 15 1 1 A 38 38 LYS H H 38 8.308 8.230 0.078 1
1 353 . 15 1 1 A 38 38 LYS HA H 38 4.505 3.928 0.577 1
1 362 . 15 1 1 A 38 38 LYS C C 38 180.780 178.725 2.055 1
1 363 . 15 1 1 A 38 38 LYS CA C 38 59.910 59.173 0.737 1
1 364 . 15 1 1 A 38 38 LYS CB C 38 34.270 32.303 1.967 1
1 368 . 15 1 1 A 38 38 LYS N N 38 117.736 117.786 -0.050 1
1 369 . 15 1 1 A 39 39 SER H H 39 7.952 7.578 0.374 1
1 370 . 15 1 1 A 39 39 SER HA H 39 4.230 4.734 -0.504 1
1 373 . 15 1 1 A 39 39 SER C C 39 177.240 177.392 -0.152 1
1 374 . 15 1 1 A 39 39 SER CA C 39 62.440 61.211 1.229 1
1 375 . 15 1 1 A 39 39 SER CB C 39 62.670 62.751 -0.081 1
1 376 . 15 1 1 A 39 39 SER N N 39 115.100 115.111 -0.011 1
1 377 . 15 1 1 A 40 40 GLN H H 40 7.899 7.629 0.270 1
1 378 . 15 1 1 A 40 40 GLN HA H 40 4.125 4.105 0.020 1
1 385 . 15 1 1 A 40 40 GLN C C 40 178.330 178.812 -0.482 1
1 386 . 15 1 1 A 40 40 GLN CA C 40 59.045 58.795 0.250 1
1 387 . 15 1 1 A 40 40 GLN CB C 40 28.893 28.429 0.464 1
1 389 . 15 1 1 A 40 40 GLN N N 40 121.600 121.577 0.023 1
1 391 . 15 1 1 A 41 41 LEU H H 41 8.010 8.490 -0.480 1
1 392 . 15 1 1 A 41 41 LEU HA H 41 4.130 4.086 0.044 1
1 402 . 15 1 1 A 41 41 LEU C C 41 179.980 178.836 1.144 1
1 403 . 15 1 1 A 41 41 LEU CA C 41 56.472 56.609 -0.137 1
1 404 . 15 1 1 A 41 41 LEU CB C 41 42.660 41.523 1.137 1
1 408 . 15 1 1 A 41 41 LEU N N 41 116.657 120.068 -3.411 1
1 409 . 15 1 1 A 42 42 GLN H H 42 7.903 7.861 0.042 1
1 410 . 15 1 1 A 42 42 GLN HA H 42 4.180 4.088 0.092 1
1 417 . 15 1 1 A 42 42 GLN C C 42 174.350 174.760 -0.410 1
1 418 . 15 1 1 A 42 42 GLN CA C 42 61.300 60.510 0.790 1
1 419 . 15 1 1 A 42 42 GLN CB C 42 25.250 27.346 -2.096 1
1 421 . 15 1 1 A 42 42 GLN N N 42 125.104 119.746 5.358 1
1 423 . 15 1 1 A 43 43 PRO HA H 43 4.410 4.418 -0.008 1
1 430 . 15 1 1 A 43 43 PRO C C 43 177.270 177.806 -0.536 1
1 431 . 15 1 1 A 43 43 PRO CA C 43 65.130 64.986 0.144 1
1 432 . 15 1 1 A 43 43 PRO CB C 43 31.208 31.508 -0.300 1
1 435 . 15 1 1 A 44 44 ILE H H 44 6.568 7.881 -1.313 1
1 436 . 15 1 1 A 44 44 ILE HA H 44 3.959 4.103 -0.144 1
1 446 . 15 1 1 A 44 44 ILE C C 44 177.060 177.985 -0.925 1
1 447 . 15 1 1 A 44 44 ILE CA C 44 63.670 62.666 1.004 1
1 448 . 15 1 1 A 44 44 ILE CB C 44 40.270 38.754 1.516 1
1 452 . 15 1 1 A 44 44 ILE N N 44 114.765 116.768 -2.003 1
1 453 . 15 1 1 A 45 45 THR H H 45 7.826 8.432 -0.606 1
1 454 . 15 1 1 A 45 45 THR HA H 45 4.202 4.245 -0.043 1
1 459 . 15 1 1 A 45 45 THR C C 45 174.990 175.261 -0.271 1
1 460 . 15 1 1 A 45 45 THR CA C 45 62.696 62.956 -0.260 1
1 461 . 15 1 1 A 45 45 THR CB C 45 71.682 70.177 1.505 1
1 463 . 15 1 1 A 45 45 THR N N 45 107.323 110.627 -3.304 1
1 464 . 15 1 1 A 46 46 ASN H H 46 8.660 7.723 0.937 1
1 465 . 15 1 1 A 46 46 ASN HA H 46 4.381 4.580 -0.199 1
1 470 . 15 1 1 A 46 46 ASN C C 46 173.900 173.400 0.500 1
1 471 . 15 1 1 A 46 46 ASN CA C 46 54.890 54.560 0.330 1
1 472 . 15 1 1 A 46 46 ASN CB C 46 38.207 36.848 1.359 1
1 473 . 15 1 1 A 46 46 ASN N N 46 117.586 115.631 1.955 1
1 475 . 15 1 1 A 47 47 VAL H H 47 7.517 7.763 -0.246 1
1 476 . 15 1 1 A 47 47 VAL HA H 47 4.134 4.825 -0.691 1
1 484 . 15 1 1 A 47 47 VAL C C 47 176.140 174.511 1.629 1
1 485 . 15 1 1 A 47 47 VAL CA C 47 61.763 59.666 2.097 1
1 486 . 15 1 1 A 47 47 VAL CB C 47 32.925 35.719 -2.794 1
1 489 . 15 1 1 A 47 47 VAL N N 47 119.901 117.866 2.035 1
1 490 . 15 1 1 A 48 48 LEU H H 48 8.650 8.571 0.079 1
1 491 . 15 1 1 A 48 48 LEU HA H 48 4.194 4.387 -0.193 1
1 501 . 15 1 1 A 48 48 LEU C C 48 177.110 177.008 0.102 1
1 502 . 15 1 1 A 48 48 LEU CA C 48 54.491 53.674 0.817 1
1 503 . 15 1 1 A 48 48 LEU CB C 48 41.171 41.477 -0.306 1
1 507 . 15 1 1 A 48 48 LEU N N 48 128.467 127.115 1.352 1
1 508 . 15 1 1 A 49 49 PRO HA H 49 3.923 4.453 -0.530 1
1 515 . 15 1 1 A 49 49 PRO C C 49 178.430 177.785 0.645 1
1 516 . 15 1 1 A 49 49 PRO CA C 49 67.000 64.682 2.318 1
1 517 . 15 1 1 A 49 49 PRO CB C 49 32.456 31.867 0.589 1
1 520 . 15 1 1 A 50 50 ARG H H 50 8.331 8.119 0.212 1
1 521 . 15 1 1 A 50 50 ARG HA H 50 4.239 4.020 0.219 1
1 528 . 15 1 1 A 50 50 ARG C C 50 176.940 178.723 -1.783 1
1 529 . 15 1 1 A 50 50 ARG CA C 50 58.130 59.550 -1.420 1
1 530 . 15 1 1 A 50 50 ARG CB C 50 29.200 29.797 -0.597 1
1 533 . 15 1 1 A 50 50 ARG N N 50 114.500 118.449 -3.949 1
1 534 . 15 1 1 A 51 51 GLY H H 51 8.199 8.066 0.133 1
1 535 . 15 1 1 A 51 51 GLY HA2 H 51 3.605 3.919 -0.314 1
1 536 . 15 1 1 A 51 51 GLY HA3 H 51 4.335 3.927 0.408 1
1 537 . 15 1 1 A 51 51 GLY C C 51 173.340 174.775 -1.435 1
1 538 . 15 1 1 A 51 51 GLY CA C 51 44.750 46.475 -1.725 1
1 539 . 15 1 1 A 51 51 GLY N N 51 107.942 107.139 0.803 1
1 540 . 15 1 1 A 52 52 GLN H H 52 7.475 7.438 0.037 1
1 541 . 15 1 1 A 52 52 GLN HA H 52 4.315 4.324 -0.009 1
1 548 . 15 1 1 A 52 52 GLN C C 52 175.770 174.965 0.805 1
1 549 . 15 1 1 A 52 52 GLN CA C 52 56.023 55.014 1.009 1
1 550 . 15 1 1 A 52 52 GLN CB C 52 31.494 28.206 3.288 1
1 552 . 15 1 1 A 52 52 GLN N N 52 119.769 119.328 0.441 1
1 554 . 15 1 1 A 53 53 LYS H H 53 8.586 8.645 -0.059 1
1 555 . 15 1 1 A 53 53 LYS HA H 53 4.500 4.633 -0.133 1
1 564 . 15 1 1 A 53 53 LYS C C 53 174.080 175.293 -1.213 1
1 565 . 15 1 1 A 53 53 LYS CA C 53 55.950 55.574 0.376 1
1 566 . 15 1 1 A 53 53 LYS CB C 53 34.690 32.340 2.350 1
1 570 . 15 1 1 A 53 53 LYS N N 53 123.759 124.846 -1.087 1
1 571 . 15 1 1 A 54 54 LEU H H 54 8.900 8.721 0.179 1
1 572 . 15 1 1 A 54 54 LEU HA H 54 5.271 4.733 0.538 1
1 582 . 15 1 1 A 54 54 LEU C C 54 174.940 176.060 -1.120 1
1 583 . 15 1 1 A 54 54 LEU CA C 54 53.250 54.328 -1.078 1
1 584 . 15 1 1 A 54 54 LEU CB C 54 45.042 41.157 3.885 1
1 588 . 15 1 1 A 54 54 LEU N N 54 126.200 125.674 0.526 1
1 589 . 15 1 1 A 55 55 ILE H H 55 9.330 9.185 0.145 1
1 590 . 15 1 1 A 55 55 ILE HA H 55 4.886 5.016 -0.130 1
1 600 . 15 1 1 A 55 55 ILE C C 55 175.623 174.279 1.344 1
1 601 . 15 1 1 A 55 55 ILE CA C 55 59.402 60.394 -0.992 1
1 602 . 15 1 1 A 55 55 ILE CB C 55 40.270 39.969 0.301 1
1 606 . 15 1 1 A 55 55 ILE N N 55 123.589 125.542 -1.953 1
1 607 . 15 1 1 A 56 56 PHE H H 56 9.241 9.373 -0.132 1
1 608 . 15 1 1 A 56 56 PHE HA H 56 5.212 4.824 0.388 1
1 615 . 15 1 1 A 56 56 PHE C C 56 174.600 174.922 -0.322 1
1 616 . 15 1 1 A 56 56 PHE CA C 56 55.936 57.361 -1.425 1
1 617 . 15 1 1 A 56 56 PHE CB C 56 42.830 41.781 1.049 1
1 622 . 15 1 1 A 56 56 PHE N N 56 127.423 127.840 -0.417 1
1 625 . 15 1 1 A 57 57 LYS H H 57 9.307 9.401 -0.094 1
1 626 . 15 1 1 A 57 57 LYS HA H 57 3.630 3.660 -0.030 1
1 635 . 15 1 1 A 57 57 LYS C C 57 176.620 176.414 0.206 1
1 636 . 15 1 1 A 57 57 LYS CA C 57 57.495 57.123 0.372 1
1 637 . 15 1 1 A 57 57 LYS CB C 57 30.100 29.906 0.194 1
1 641 . 15 1 1 A 57 57 LYS N N 57 128.612 128.036 0.576 1
1 642 . 15 1 1 A 58 58 GLY H H 58 8.288 8.353 -0.065 1
1 643 . 15 1 1 A 58 58 GLY HA2 H 58 3.487 3.838 -0.351 1
1 644 . 15 1 1 A 58 58 GLY HA3 H 58 4.098 3.850 0.248 1
1 645 . 15 1 1 A 58 58 GLY C C 58 173.568 173.419 0.149 1
1 646 . 15 1 1 A 58 58 GLY CA C 58 45.475 45.227 0.248 1
1 647 . 15 1 1 A 58 58 GLY N N 58 102.757 105.652 -2.895 1
1 648 . 15 1 1 A 59 59 LYS H H 59 7.900 7.740 0.160 1
1 649 . 15 1 1 A 59 59 LYS HA H 59 4.667 4.621 0.046 1
1 658 . 15 1 1 A 59 59 LYS C C 59 174.830 175.540 -0.710 1
1 659 . 15 1 1 A 59 59 LYS CA C 59 55.222 54.663 0.559 1
1 660 . 15 1 1 A 59 59 LYS CB C 59 35.010 34.717 0.293 1
1 664 . 15 1 1 A 59 59 LYS N N 59 121.753 121.511 0.242 1
1 665 . 15 1 1 A 60 60 VAL H H 60 8.587 8.655 -0.068 1
1 666 . 15 1 1 A 60 60 VAL HA H 60 4.209 4.429 -0.220 1
1 674 . 15 1 1 A 60 60 VAL C C 60 177.380 176.212 1.168 1
1 675 . 15 1 1 A 60 60 VAL CA C 60 63.080 62.995 0.085 1
1 676 . 15 1 1 A 60 60 VAL CB C 60 32.101 31.755 0.346 1
1 679 . 15 1 1 A 60 60 VAL N N 60 123.795 125.991 -2.196 1
1 680 . 15 1 1 A 61 61 LEU H H 61 8.876 8.811 0.065 1
1 681 . 15 1 1 A 61 61 LEU HA H 61 4.430 4.240 0.190 1
1 691 . 15 1 1 A 61 61 LEU C C 61 176.660 177.071 -0.411 1
1 692 . 15 1 1 A 61 61 LEU CA C 61 54.760 55.707 -0.947 1
1 693 . 15 1 1 A 61 61 LEU CB C 61 43.060 42.006 1.054 1
1 697 . 15 1 1 A 61 61 LEU N N 61 129.083 128.132 0.951 1
1 698 . 15 1 1 A 62 62 VAL H H 62 8.759 8.674 0.085 1
1 699 . 15 1 1 A 62 62 VAL HA H 62 3.989 3.922 0.067 1
1 707 . 15 1 1 A 62 62 VAL C C 62 178.390 175.262 3.128 1
1 708 . 15 1 1 A 62 62 VAL CA C 62 63.077 63.567 -0.490 1
1 709 . 15 1 1 A 62 62 VAL CB C 62 32.440 31.533 0.907 1
1 712 . 15 1 1 A 62 62 VAL N N 62 124.193 124.425 -0.232 1
1 713 . 15 1 1 A 63 63 GLU H H 63 8.806 9.065 -0.259 1
1 714 . 15 1 1 A 63 63 GLU HA H 63 3.757 4.110 -0.353 1
1 719 . 15 1 1 A 63 63 GLU C C 63 176.500 177.683 -1.183 1
1 720 . 15 1 1 A 63 63 GLU CA C 63 60.509 59.622 0.887 1
1 721 . 15 1 1 A 63 63 GLU CB C 63 30.580 29.174 1.406 1
1 723 . 15 1 1 A 63 63 GLU N N 63 125.296 126.072 -0.776 1
1 724 . 15 1 1 A 64 64 THR H H 64 7.100 7.600 -0.500 1
1 725 . 15 1 1 A 64 64 THR HA H 64 4.279 4.349 -0.070 1
1 730 . 15 1 1 A 64 64 THR C C 64 175.290 173.440 1.850 1
1 731 . 15 1 1 A 64 64 THR CA C 64 61.466 62.390 -0.924 1
1 732 . 15 1 1 A 64 64 THR CB C 64 68.840 69.299 -0.459 1
1 734 . 15 1 1 A 64 64 THR N N 64 102.822 110.150 -7.328 1
1 735 . 15 1 1 A 65 65 SER H H 65 7.749 7.701 0.048 1
1 736 . 15 1 1 A 65 65 SER HA H 65 4.676 4.973 -0.297 1
1 739 . 15 1 1 A 65 65 SER C C 65 174.300 173.751 0.549 1
1 740 . 15 1 1 A 65 65 SER CA C 65 58.060 56.084 1.976 1
1 741 . 15 1 1 A 65 65 SER CB C 65 64.950 65.902 -0.952 1
1 742 . 15 1 1 A 65 65 SER N N 65 117.966 114.851 3.115 1
1 743 . 15 1 1 A 66 66 THR H H 66 8.512 8.644 -0.132 1
1 744 . 15 1 1 A 66 66 THR HA H 66 5.032 4.674 0.358 1
1 750 . 15 1 1 A 66 66 THR C C 66 177.300 176.099 1.201 1
1 751 . 15 1 1 A 66 66 THR CA C 66 60.200 60.675 -0.475 1
1 752 . 15 1 1 A 66 66 THR CB C 66 71.550 71.416 0.134 1
1 754 . 15 1 1 A 66 66 THR N N 66 111.490 113.931 -2.441 1
1 755 . 15 1 1 A 67 67 LEU H H 67 8.451 8.498 -0.047 1
1 756 . 15 1 1 A 67 67 LEU HA H 67 3.753 3.913 -0.160 1
1 766 . 15 1 1 A 67 67 LEU C C 67 179.170 179.046 0.124 1
1 767 . 15 1 1 A 67 67 LEU CA C 67 59.234 58.299 0.935 1
1 768 . 15 1 1 A 67 67 LEU CB C 67 38.897 41.452 -2.555 1
1 772 . 15 1 1 A 67 67 LEU N N 67 122.302 122.844 -0.542 1
1 773 . 15 1 1 A 68 68 LYS H H 68 8.313 7.902 0.411 1
1 774 . 15 1 1 A 68 68 LYS HA H 68 4.090 3.896 0.194 1
1 783 . 15 1 1 A 68 68 LYS C C 68 180.950 179.235 1.715 1
1 784 . 15 1 1 A 68 68 LYS CA C 68 59.620 59.717 -0.097 1
1 785 . 15 1 1 A 68 68 LYS CB C 68 32.490 32.423 0.067 1
1 789 . 15 1 1 A 68 68 LYS N N 68 120.066 120.560 -0.494 1
1 790 . 15 1 1 A 69 69 GLN H H 69 8.019 8.003 0.016 1
1 791 . 15 1 1 A 69 69 GLN HA H 69 4.086 4.126 -0.040 1
1 798 . 15 1 1 A 69 69 GLN C C 69 177.840 177.252 0.588 1
1 799 . 15 1 1 A 69 69 GLN CA C 69 58.260 58.476 -0.216 1
1 800 . 15 1 1 A 69 69 GLN CB C 69 28.580 28.792 -0.212 1
1 802 . 15 1 1 A 69 69 GLN N N 69 119.594 119.391 0.203 1
1 804 . 15 1 1 A 70 70 SER H H 70 7.544 7.548 -0.004 1
1 805 . 15 1 1 A 70 70 SER HA H 70 4.517 4.570 -0.053 1
1 808 . 15 1 1 A 70 70 SER C C 70 171.870 172.965 -1.095 1
1 809 . 15 1 1 A 70 70 SER CA C 70 58.920 58.001 0.919 1
1 810 . 15 1 1 A 70 70 SER CB C 70 64.446 63.235 1.211 1
1 811 . 15 1 1 A 70 70 SER N N 70 114.028 111.608 2.420 1
1 812 . 15 1 1 A 71 71 ASP H H 71 7.882 8.042 -0.160 1
1 813 . 15 1 1 A 71 71 ASP HA H 71 4.278 4.290 -0.012 1
1 816 . 15 1 1 A 71 71 ASP C C 71 174.050 175.561 -1.511 1
1 817 . 15 1 1 A 71 71 ASP CA C 71 55.660 55.465 0.195 1
1 818 . 15 1 1 A 71 71 ASP CB C 71 39.540 39.793 -0.253 1
1 819 . 15 1 1 A 71 71 ASP N N 71 116.055 118.567 -2.512 1
1 820 . 15 1 1 A 72 72 VAL H H 72 7.723 7.966 -0.243 1
1 821 . 15 1 1 A 72 72 VAL HA H 72 3.285 3.887 -0.602 1
1 829 . 15 1 1 A 72 72 VAL C C 72 173.980 175.579 -1.599 1
1 830 . 15 1 1 A 72 72 VAL CA C 72 62.744 61.620 1.124 1
1 831 . 15 1 1 A 72 72 VAL CB C 72 30.727 31.635 -0.908 1
1 834 . 15 1 1 A 72 72 VAL N N 72 119.423 119.224 0.199 1
1 835 . 15 1 1 A 73 73 GLY H H 73 7.722 8.486 -0.764 1
1 836 . 15 1 1 A 73 73 GLY HA2 H 73 3.590 4.212 -0.622 1
1 837 . 15 1 1 A 73 73 GLY HA3 H 73 4.416 4.227 0.189 1
1 838 . 15 1 1 A 73 73 GLY C C 73 172.450 173.302 -0.852 1
1 839 . 15 1 1 A 73 73 GLY CA C 73 42.820 44.452 -1.632 1
1 840 . 15 1 1 A 73 73 GLY N N 73 114.445 115.551 -1.106 1
1 841 . 15 1 1 A 74 74 SER H H 74 8.552 8.541 0.011 1
1 842 . 15 1 1 A 74 74 SER HA H 74 4.365 4.256 0.109 1
1 845 . 15 1 1 A 74 74 SER C C 74 177.240 175.077 2.163 1
1 846 . 15 1 1 A 74 74 SER CA C 74 60.420 59.823 0.597 1
1 847 . 15 1 1 A 74 74 SER CB C 74 63.350 62.621 0.729 1
1 848 . 15 1 1 A 74 74 SER N N 74 111.883 113.428 -1.545 1
1 849 . 15 1 1 A 75 75 GLY H H 75 9.718 8.849 0.869 1
1 850 . 15 1 1 A 75 75 GLY HA2 H 75 3.693 3.962 -0.269 1
1 851 . 15 1 1 A 75 75 GLY HA3 H 75 4.328 3.964 0.364 1
1 852 . 15 1 1 A 75 75 GLY C C 75 174.500 174.766 -0.266 1
1 853 . 15 1 1 A 75 75 GLY CA C 75 44.990 45.212 -0.222 1
1 854 . 15 1 1 A 75 75 GLY N N 75 115.986 113.593 2.393 1
1 855 . 15 1 1 A 76 76 ALA H H 76 7.939 7.688 0.251 1
1 856 . 15 1 1 A 76 76 ALA HA H 76 4.363 4.438 -0.075 1
1 860 . 15 1 1 A 76 76 ALA C C 76 176.170 176.578 -0.408 1
1 861 . 15 1 1 A 76 76 ALA CA C 76 53.372 52.358 1.014 1
1 862 . 15 1 1 A 76 76 ALA CB C 76 21.400 19.733 1.667 1
1 863 . 15 1 1 A 76 76 ALA N N 76 123.830 123.944 -0.114 1
1 864 . 15 1 1 A 77 77 LYS H H 77 8.435 8.850 -0.415 1
1 865 . 15 1 1 A 77 77 LYS HA H 77 5.195 5.250 -0.055 1
1 874 . 15 1 1 A 77 77 LYS C C 77 175.450 175.653 -0.203 1
1 875 . 15 1 1 A 77 77 LYS CA C 77 54.930 55.191 -0.261 1
1 876 . 15 1 1 A 77 77 LYS CB C 77 33.520 34.364 -0.844 1
1 880 . 15 1 1 A 77 77 LYS N N 77 120.636 122.345 -1.709 1
1 881 . 15 1 1 A 78 78 LEU H H 78 9.016 9.196 -0.180 1
1 882 . 15 1 1 A 78 78 LEU HA H 78 5.225 5.135 0.090 1
1 892 . 15 1 1 A 78 78 LEU C C 78 175.970 175.631 0.339 1
1 893 . 15 1 1 A 78 78 LEU CA C 78 53.700 53.517 0.183 1
1 894 . 15 1 1 A 78 78 LEU CB C 78 45.250 43.615 1.635 1
1 898 . 15 1 1 A 78 78 LEU N N 78 123.751 125.879 -2.128 1
1 899 . 15 1 1 A 79 79 MET H H 79 8.983 8.936 0.047 1
1 900 . 15 1 1 A 79 79 MET HA H 79 5.163 5.211 -0.048 1
1 905 . 15 1 1 A 79 79 MET C C 79 173.970 174.067 -0.097 1
1 906 . 15 1 1 A 79 79 MET CA C 79 55.508 54.333 1.175 1
1 907 . 15 1 1 A 79 79 MET CB C 79 35.180 35.775 -0.595 1
1 909 . 15 1 1 A 79 79 MET N N 79 120.990 121.246 -0.256 1
1 910 . 15 1 1 A 80 80 LEU H H 80 8.905 9.014 -0.109 1
1 911 . 15 1 1 A 80 80 LEU HA H 80 5.235 4.978 0.257 1
1 921 . 15 1 1 A 80 80 LEU C C 80 174.730 174.564 0.166 1
1 922 . 15 1 1 A 80 80 LEU CA C 80 54.071 54.009 0.062 1
1 923 . 15 1 1 A 80 80 LEU CB C 80 43.540 44.409 -0.869 1
1 927 . 15 1 1 A 81 81 MET H H 81 9.229 8.700 0.529 1
1 928 . 15 1 1 A 81 81 MET HA H 81 4.960 4.679 0.281 1
1 936 . 15 1 1 A 81 81 MET C C 81 174.450 175.084 -0.634 1
1 937 . 15 1 1 A 81 81 MET CA C 81 53.830 54.870 -1.040 1
1 938 . 15 1 1 A 81 81 MET CB C 81 34.810 32.041 2.769 1
1 941 . 15 1 1 A 81 81 MET N N 81 125.712 127.881 -2.169 1
1 942 . 15 1 1 A 82 82 ALA H H 82 8.891 7.999 0.892 1
1 943 . 15 1 1 A 82 82 ALA HA H 82 5.043 4.897 0.146 1
1 947 . 15 1 1 A 82 82 ALA C C 82 177.470 175.777 1.693 1
1 948 . 15 1 1 A 82 82 ALA CA C 82 51.010 51.338 -0.328 1
1 949 . 15 1 1 A 82 82 ALA CB C 82 21.124 24.033 -2.909 1
1 950 . 15 1 1 A 82 82 ALA N N 82 126.315 128.347 -2.032 1
1 951 . 15 1 1 A 83 83 SER H H 83 8.719 8.666 0.053 1
1 952 . 15 1 1 A 83 83 SER HA H 83 4.497 5.070 -0.573 1
1 955 . 15 1 1 A 83 83 SER C C 83 174.360 173.809 0.551 1
1 956 . 15 1 1 A 83 83 SER CA C 83 58.534 56.163 2.371 1
1 957 . 15 1 1 A 83 83 SER CB C 83 64.140 65.934 -1.794 1
1 958 . 15 1 1 A 83 83 SER N N 83 117.987 111.699 6.288 1
1 959 . 15 1 1 A 84 84 GLN H H 84 8.629 8.724 -0.095 1
1 960 . 15 1 1 A 84 84 GLN HA H 84 4.449 3.963 0.486 1
1 967 . 15 1 1 A 84 84 GLN C C 84 175.370 175.109 0.261 1
1 968 . 15 1 1 A 84 84 GLN CA C 84 55.890 57.167 -1.277 1
1 969 . 15 1 1 A 84 84 GLN CB C 84 29.860 26.996 2.864 1
1 971 . 15 1 1 A 84 84 GLN N N 84 122.746 117.366 5.380 1
1 1 . 16 1 1 A 10 10 HIS HA H 10 4.506 4.438 0.068 1
1 4 . 16 1 1 A 10 10 HIS C C 10 176.040 175.352 0.688 1
1 5 . 16 1 1 A 10 10 HIS CA C 10 55.850 55.705 0.145 1
1 6 . 16 1 1 A 10 10 HIS CB C 10 33.250 30.248 3.002 1
1 7 . 16 1 1 A 11 11 SER H H 11 8.462 8.890 -0.428 1
1 8 . 16 1 1 A 11 11 SER HA H 11 4.516 4.918 -0.402 1
1 10 . 16 1 1 A 11 11 SER C C 11 174.050 173.667 0.383 1
1 11 . 16 1 1 A 11 11 SER CA C 11 59.054 56.947 2.107 1
1 12 . 16 1 1 A 11 11 SER CB C 11 63.850 66.318 -2.468 1
1 13 . 16 1 1 A 11 11 SER N N 11 117.900 117.732 0.168 1
1 14 . 16 1 1 A 12 12 THR H H 12 7.923 8.428 -0.505 1
1 15 . 16 1 1 A 12 12 THR HA H 12 4.581 5.393 -0.812 1
1 20 . 16 1 1 A 12 12 THR C C 12 174.140 174.302 -0.162 1
1 21 . 16 1 1 A 12 12 THR CA C 12 61.245 59.685 1.560 1
1 22 . 16 1 1 A 12 12 THR CB C 12 71.940 71.959 -0.019 1
1 24 . 16 1 1 A 12 12 THR N N 12 112.783 112.546 0.237 1
1 25 . 16 1 1 A 13 13 ILE H H 13 9.201 8.978 0.223 1
1 26 . 16 1 1 A 13 13 ILE HA H 13 4.532 4.977 -0.445 1
1 36 . 16 1 1 A 13 13 ILE C C 13 173.930 174.286 -0.356 1
1 37 . 16 1 1 A 13 13 ILE CA C 13 59.720 58.882 0.838 1
1 38 . 16 1 1 A 13 13 ILE CB C 13 41.597 41.953 -0.356 1
1 42 . 16 1 1 A 13 13 ILE N N 13 117.602 115.017 2.585 1
1 43 . 16 1 1 A 14 14 LYS H H 14 8.077 8.236 -0.159 1
1 44 . 16 1 1 A 14 14 LYS HA H 14 5.110 4.706 0.404 1
1 53 . 16 1 1 A 14 14 LYS C C 14 175.360 175.359 0.001 1
1 54 . 16 1 1 A 14 14 LYS CA C 14 55.200 56.221 -1.021 1
1 55 . 16 1 1 A 14 14 LYS CB C 14 33.130 33.091 0.039 1
1 59 . 16 1 1 A 14 14 LYS N N 14 122.699 122.861 -0.162 1
1 60 . 16 1 1 A 15 15 LEU H H 15 8.953 9.180 -0.227 1
1 61 . 16 1 1 A 15 15 LEU HA H 15 5.025 5.117 -0.092 1
1 71 . 16 1 1 A 15 15 LEU C C 15 176.400 175.586 0.814 1
1 72 . 16 1 1 A 15 15 LEU CA C 15 53.620 53.262 0.358 1
1 73 . 16 1 1 A 15 15 LEU CB C 15 45.380 43.999 1.381 1
1 77 . 16 1 1 A 15 15 LEU N N 15 121.650 126.717 -5.067 1
1 78 . 16 1 1 A 16 16 THR H H 16 8.412 9.110 -0.698 1
1 79 . 16 1 1 A 16 16 THR HA H 16 5.075 4.879 0.196 1
1 84 . 16 1 1 A 16 16 THR C C 16 173.070 173.878 -0.808 1
1 85 . 16 1 1 A 16 16 THR CA C 16 61.380 61.579 -0.199 1
1 86 . 16 1 1 A 16 16 THR CB C 16 71.700 68.287 3.413 1
1 88 . 16 1 1 A 16 16 THR N N 16 114.701 120.543 -5.842 1
1 89 . 16 1 1 A 17 17 VAL H H 17 9.083 8.972 0.111 1
1 90 . 16 1 1 A 17 17 VAL HA H 17 4.600 4.452 0.148 1
1 98 . 16 1 1 A 17 17 VAL C C 17 174.570 175.090 -0.520 1
1 99 . 16 1 1 A 17 17 VAL CA C 17 61.005 62.017 -1.012 1
1 100 . 16 1 1 A 17 17 VAL CB C 17 33.600 31.217 2.383 1
1 103 . 16 1 1 A 17 17 VAL N N 17 125.565 127.412 -1.847 1
1 104 . 16 1 1 A 18 18 LYS H H 18 9.183 9.087 0.096 1
1 105 . 16 1 1 A 18 18 LYS HA H 18 5.156 5.102 0.054 1
1 114 . 16 1 1 A 18 18 LYS C C 18 175.150 175.431 -0.281 1
1 115 . 16 1 1 A 18 18 LYS CA C 18 54.630 55.260 -0.630 1
1 116 . 16 1 1 A 18 18 LYS CB C 18 33.217 32.684 0.533 1
1 120 . 16 1 1 A 18 18 LYS N N 18 129.200 128.073 1.127 1
1 121 . 16 1 1 A 19 19 PHE H H 19 8.927 9.292 -0.365 1
1 122 . 16 1 1 A 19 19 PHE HA H 19 5.377 4.672 0.705 1
1 129 . 16 1 1 A 19 19 PHE C C 19 175.850 176.684 -0.834 1
1 130 . 16 1 1 A 19 19 PHE CA C 19 55.330 56.708 -1.378 1
1 131 . 16 1 1 A 19 19 PHE CB C 19 41.690 37.096 4.594 1
1 136 . 16 1 1 A 19 19 PHE N N 19 126.659 124.872 1.787 1
1 139 . 16 1 1 A 20 20 GLY H H 20 9.275 8.670 0.605 1
1 140 . 16 1 1 A 20 20 GLY HA2 H 20 3.580 3.880 -0.300 1
1 141 . 16 1 1 A 20 20 GLY HA3 H 20 3.578 3.905 -0.327 1
1 142 . 16 1 1 A 20 20 GLY C C 20 175.090 174.907 0.183 1
1 143 . 16 1 1 A 20 20 GLY CA C 20 47.070 46.985 0.085 1
1 144 . 16 1 1 A 20 20 GLY N N 20 119.629 113.749 5.880 1
1 145 . 16 1 1 A 21 21 GLY H H 21 8.819 8.553 0.266 1
1 146 . 16 1 1 A 21 21 GLY HA2 H 21 3.942 4.035 -0.093 1
1 147 . 16 1 1 A 21 21 GLY HA3 H 21 3.942 4.040 -0.098 1
1 148 . 16 1 1 A 21 21 GLY C C 21 173.890 174.531 -0.641 1
1 149 . 16 1 1 A 21 21 GLY CA C 21 45.290 45.105 0.185 1
1 150 . 16 1 1 A 21 21 GLY N N 21 111.500 106.587 4.913 1
1 151 . 16 1 1 A 22 22 LYS H H 22 7.975 7.924 0.051 1
1 152 . 16 1 1 A 22 22 LYS HA H 22 4.616 4.278 0.338 1
1 161 . 16 1 1 A 22 22 LYS C C 22 175.450 176.036 -0.586 1
1 162 . 16 1 1 A 22 22 LYS CA C 22 55.514 55.521 -0.007 1
1 163 . 16 1 1 A 22 22 LYS CB C 22 34.790 31.584 3.206 1
1 167 . 16 1 1 A 22 22 LYS N N 22 121.832 121.599 0.233 1
1 168 . 16 1 1 A 23 23 SER H H 23 8.722 8.682 0.040 1
1 169 . 16 1 1 A 23 23 SER HA H 23 4.841 4.833 0.008 1
1 172 . 16 1 1 A 23 23 SER C C 23 173.910 173.561 0.349 1
1 173 . 16 1 1 A 23 23 SER CA C 23 58.344 58.068 0.276 1
1 174 . 16 1 1 A 23 23 SER CB C 23 64.237 63.275 0.962 1
1 175 . 16 1 1 A 23 23 SER N N 23 119.004 120.245 -1.241 1
1 176 . 16 1 1 A 24 24 ILE H H 24 9.444 9.243 0.201 1
1 177 . 16 1 1 A 24 24 ILE HA H 24 4.502 4.691 -0.189 1
1 187 . 16 1 1 A 24 24 ILE C C 24 173.590 174.910 -1.320 1
1 188 . 16 1 1 A 24 24 ILE CA C 24 59.145 58.225 0.920 1
1 189 . 16 1 1 A 24 24 ILE CB C 24 40.620 38.524 2.096 1
1 193 . 16 1 1 A 24 24 ILE N N 24 129.205 127.403 1.802 1
1 194 . 16 1 1 A 25 25 PRO HA H 25 5.179 4.887 0.292 1
1 201 . 16 1 1 A 25 25 PRO C C 25 176.750 176.072 0.678 1
1 202 . 16 1 1 A 25 25 PRO CA C 25 61.740 61.867 -0.127 1
1 203 . 16 1 1 A 25 25 PRO CB C 25 32.010 31.505 0.505 1
1 206 . 16 1 1 A 26 26 LEU H H 26 8.720 8.964 -0.244 1
1 207 . 16 1 1 A 26 26 LEU HA H 26 4.731 4.976 -0.245 1
1 217 . 16 1 1 A 26 26 LEU C C 26 175.450 176.305 -0.855 1
1 218 . 16 1 1 A 26 26 LEU CA C 26 54.731 53.076 1.655 1
1 219 . 16 1 1 A 26 26 LEU CB C 26 47.766 45.911 1.855 1
1 223 . 16 1 1 A 26 26 LEU N N 26 122.986 124.750 -1.764 1
1 224 . 16 1 1 A 27 27 SER H H 27 8.404 8.822 -0.418 1
1 225 . 16 1 1 A 27 27 SER HA H 27 5.504 5.704 -0.200 1
1 228 . 16 1 1 A 27 27 SER C C 27 174.498 173.255 1.243 1
1 229 . 16 1 1 A 27 27 SER CA C 27 57.000 57.611 -0.611 1
1 230 . 16 1 1 A 27 27 SER CB C 27 63.850 64.946 -1.096 1
1 231 . 16 1 1 A 27 27 SER N N 27 118.151 118.256 -0.105 1
1 232 . 16 1 1 A 28 28 VAL H H 28 8.743 8.534 0.209 1
1 233 . 16 1 1 A 28 28 VAL HA H 28 4.792 5.042 -0.250 1
1 241 . 16 1 1 A 28 28 VAL C C 28 174.250 175.052 -0.802 1
1 242 . 16 1 1 A 28 28 VAL CA C 28 58.792 59.487 -0.695 1
1 243 . 16 1 1 A 28 28 VAL CB C 28 36.600 34.950 1.650 1
1 246 . 16 1 1 A 28 28 VAL N N 28 118.097 119.744 -1.647 1
1 247 . 16 1 1 A 29 29 SER H H 29 8.694 8.706 -0.012 1
1 248 . 16 1 1 A 29 29 SER HA H 29 4.960 4.769 0.191 1
1 251 . 16 1 1 A 29 29 SER C C 29 175.159 174.340 0.819 1
1 252 . 16 1 1 A 29 29 SER CA C 29 55.925 56.901 -0.976 1
1 253 . 16 1 1 A 29 29 SER CB C 29 64.080 63.093 0.987 1
1 254 . 16 1 1 A 29 29 SER N N 29 116.965 117.786 -0.821 1
1 255 . 16 1 1 A 30 30 PRO HA H 30 4.277 4.376 -0.099 1
1 262 . 16 1 1 A 30 30 PRO C C 30 175.705 177.565 -1.860 1
1 263 . 16 1 1 A 30 30 PRO CA C 30 64.825 64.595 0.230 1
1 264 . 16 1 1 A 30 30 PRO CB C 30 32.074 31.917 0.157 1
1 267 . 16 1 1 A 31 31 ASP H H 31 7.818 8.755 -0.937 1
1 268 . 16 1 1 A 31 31 ASP HA H 31 4.725 4.312 0.413 1
1 271 . 16 1 1 A 31 31 ASP C C 31 175.040 176.979 -1.939 1
1 272 . 16 1 1 A 31 31 ASP CA C 31 54.160 56.194 -2.034 1
1 273 . 16 1 1 A 31 31 ASP CB C 31 41.590 40.387 1.203 1
1 274 . 16 1 1 A 31 31 ASP N N 31 114.503 118.417 -3.914 1
1 275 . 16 1 1 A 32 32 CYS H H 32 7.657 7.537 0.120 1
1 276 . 16 1 1 A 32 32 CYS HA H 32 4.483 4.583 -0.100 1
1 279 . 16 1 1 A 32 32 CYS C C 32 174.805 174.840 -0.035 1
1 280 . 16 1 1 A 32 32 CYS CA C 32 59.510 58.852 0.658 1
1 281 . 16 1 1 A 32 32 CYS CB C 32 28.010 28.592 -0.582 1
1 282 . 16 1 1 A 32 32 CYS N N 32 119.852 118.373 1.479 1
1 283 . 16 1 1 A 33 33 THR H H 33 8.992 8.701 0.291 1
1 284 . 16 1 1 A 33 33 THR HA H 33 4.861 4.760 0.101 1
1 289 . 16 1 1 A 33 33 THR C C 33 176.350 176.245 0.105 1
1 290 . 16 1 1 A 33 33 THR CA C 33 61.165 60.357 0.808 1
1 291 . 16 1 1 A 33 33 THR CB C 33 71.968 71.335 0.633 1
1 293 . 16 1 1 A 33 33 THR N N 33 115.278 113.503 1.775 1
1 294 . 16 1 1 A 34 34 VAL H H 34 8.558 8.917 -0.359 1
1 295 . 16 1 1 A 34 34 VAL HA H 34 3.384 3.803 -0.419 1
1 303 . 16 1 1 A 34 34 VAL C C 34 177.880 177.715 0.165 1
1 304 . 16 1 1 A 34 34 VAL CA C 34 67.050 65.464 1.586 1
1 305 . 16 1 1 A 34 34 VAL CB C 34 31.303 31.385 -0.082 1
1 308 . 16 1 1 A 34 34 VAL N N 34 123.274 119.822 3.452 1
1 309 . 16 1 1 A 35 35 LYS H H 35 8.316 7.936 0.380 1
1 310 . 16 1 1 A 35 35 LYS HA H 35 3.758 3.904 -0.146 1
1 319 . 16 1 1 A 35 35 LYS C C 35 178.180 178.345 -0.165 1
1 320 . 16 1 1 A 35 35 LYS CA C 35 60.812 59.093 1.719 1
1 321 . 16 1 1 A 35 35 LYS CB C 35 32.610 32.072 0.538 1
1 325 . 16 1 1 A 35 35 LYS N N 35 119.813 120.930 -1.117 1
1 326 . 16 1 1 A 36 36 ASP H H 36 7.959 8.232 -0.273 1
1 327 . 16 1 1 A 36 36 ASP HA H 36 4.414 4.322 0.092 1
1 330 . 16 1 1 A 36 36 ASP C C 36 179.395 178.819 0.576 1
1 331 . 16 1 1 A 36 36 ASP CA C 36 57.360 57.794 -0.434 1
1 332 . 16 1 1 A 36 36 ASP CB C 36 40.350 42.146 -1.796 1
1 333 . 16 1 1 A 36 36 ASP N N 36 120.728 119.947 0.781 1
1 334 . 16 1 1 A 37 37 LEU H H 37 8.147 8.049 0.098 1
1 335 . 16 1 1 A 37 37 LEU HA H 37 3.976 3.930 0.046 1
1 345 . 16 1 1 A 37 37 LEU C C 37 178.630 179.343 -0.713 1
1 346 . 16 1 1 A 37 37 LEU CA C 37 58.210 57.989 0.221 1
1 347 . 16 1 1 A 37 37 LEU CB C 37 41.470 41.791 -0.321 1
1 351 . 16 1 1 A 37 37 LEU N N 37 123.841 120.171 3.670 1
1 352 . 16 1 1 A 38 38 LYS H H 38 8.308 8.163 0.145 1
1 353 . 16 1 1 A 38 38 LYS HA H 38 4.505 4.198 0.307 1
1 362 . 16 1 1 A 38 38 LYS C C 38 180.780 178.631 2.149 1
1 363 . 16 1 1 A 38 38 LYS CA C 38 59.910 59.023 0.887 1
1 364 . 16 1 1 A 38 38 LYS CB C 38 34.270 32.052 2.218 1
1 368 . 16 1 1 A 38 38 LYS N N 38 117.736 118.146 -0.410 1
1 369 . 16 1 1 A 39 39 SER H H 39 7.952 8.035 -0.083 1
1 370 . 16 1 1 A 39 39 SER HA H 39 4.230 4.377 -0.147 1
1 373 . 16 1 1 A 39 39 SER C C 39 177.240 177.384 -0.144 1
1 374 . 16 1 1 A 39 39 SER CA C 39 62.440 61.222 1.218 1
1 375 . 16 1 1 A 39 39 SER CB C 39 62.670 62.681 -0.011 1
1 376 . 16 1 1 A 39 39 SER N N 39 115.100 115.475 -0.375 1
1 377 . 16 1 1 A 40 40 GLN H H 40 7.899 7.719 0.180 1
1 378 . 16 1 1 A 40 40 GLN HA H 40 4.125 4.131 -0.006 1
1 385 . 16 1 1 A 40 40 GLN C C 40 178.330 179.197 -0.867 1
1 386 . 16 1 1 A 40 40 GLN CA C 40 59.045 58.710 0.335 1
1 387 . 16 1 1 A 40 40 GLN CB C 40 28.893 28.393 0.500 1
1 389 . 16 1 1 A 40 40 GLN N N 40 121.600 121.599 0.001 1
1 391 . 16 1 1 A 41 41 LEU H H 41 8.010 8.739 -0.729 1
1 392 . 16 1 1 A 41 41 LEU HA H 41 4.130 4.130 0.000 1
1 402 . 16 1 1 A 41 41 LEU C C 41 179.980 179.211 0.769 1
1 403 . 16 1 1 A 41 41 LEU CA C 41 56.472 56.975 -0.503 1
1 404 . 16 1 1 A 41 41 LEU CB C 41 42.660 41.223 1.437 1
1 408 . 16 1 1 A 41 41 LEU N N 41 116.657 120.528 -3.871 1
1 409 . 16 1 1 A 42 42 GLN H H 42 7.903 8.166 -0.263 1
1 410 . 16 1 1 A 42 42 GLN HA H 42 4.180 4.154 0.026 1
1 417 . 16 1 1 A 42 42 GLN C C 42 174.350 174.436 -0.086 1
1 418 . 16 1 1 A 42 42 GLN CA C 42 61.300 60.525 0.775 1
1 419 . 16 1 1 A 42 42 GLN CB C 42 25.250 27.200 -1.950 1
1 421 . 16 1 1 A 42 42 GLN N N 42 125.104 119.907 5.197 1
1 423 . 16 1 1 A 43 43 PRO HA H 43 4.410 4.407 0.003 1
1 430 . 16 1 1 A 43 43 PRO C C 43 177.270 178.476 -1.206 1
1 431 . 16 1 1 A 43 43 PRO CA C 43 65.130 64.864 0.266 1
1 432 . 16 1 1 A 43 43 PRO CB C 43 31.208 31.114 0.094 1
1 435 . 16 1 1 A 44 44 ILE H H 44 6.568 7.643 -1.075 1
1 436 . 16 1 1 A 44 44 ILE HA H 44 3.959 3.898 0.061 1
1 446 . 16 1 1 A 44 44 ILE C C 44 177.060 177.473 -0.413 1
1 447 . 16 1 1 A 44 44 ILE CA C 44 63.670 63.744 -0.074 1
1 448 . 16 1 1 A 44 44 ILE CB C 44 40.270 38.634 1.636 1
1 452 . 16 1 1 A 44 44 ILE N N 44 114.765 116.329 -1.564 1
1 453 . 16 1 1 A 45 45 THR H H 45 7.826 7.521 0.305 1
1 454 . 16 1 1 A 45 45 THR HA H 45 4.202 4.306 -0.104 1
1 459 . 16 1 1 A 45 45 THR C C 45 174.990 173.804 1.186 1
1 460 . 16 1 1 A 45 45 THR CA C 45 62.696 61.943 0.753 1
1 461 . 16 1 1 A 45 45 THR CB C 45 71.682 70.952 0.730 1
1 463 . 16 1 1 A 45 45 THR N N 45 107.323 111.228 -3.905 1
1 464 . 16 1 1 A 46 46 ASN H H 46 8.660 8.027 0.633 1
1 465 . 16 1 1 A 46 46 ASN HA H 46 4.381 4.623 -0.242 1
1 470 . 16 1 1 A 46 46 ASN C C 46 173.900 173.716 0.184 1
1 471 . 16 1 1 A 46 46 ASN CA C 46 54.890 53.774 1.116 1
1 472 . 16 1 1 A 46 46 ASN CB C 46 38.207 37.051 1.156 1
1 473 . 16 1 1 A 46 46 ASN N N 46 117.586 117.901 -0.315 1
1 475 . 16 1 1 A 47 47 VAL H H 47 7.517 7.775 -0.258 1
1 476 . 16 1 1 A 47 47 VAL HA H 47 4.134 4.655 -0.521 1
1 484 . 16 1 1 A 47 47 VAL C C 47 176.140 174.247 1.893 1
1 485 . 16 1 1 A 47 47 VAL CA C 47 61.763 60.312 1.451 1
1 486 . 16 1 1 A 47 47 VAL CB C 47 32.925 34.758 -1.833 1
1 489 . 16 1 1 A 47 47 VAL N N 47 119.901 119.859 0.042 1
1 490 . 16 1 1 A 48 48 LEU H H 48 8.650 8.833 -0.183 1
1 491 . 16 1 1 A 48 48 LEU HA H 48 4.194 4.562 -0.368 1
1 501 . 16 1 1 A 48 48 LEU C C 48 177.110 176.913 0.197 1
1 502 . 16 1 1 A 48 48 LEU CA C 48 54.491 53.140 1.351 1
1 503 . 16 1 1 A 48 48 LEU CB C 48 41.171 41.664 -0.493 1
1 507 . 16 1 1 A 48 48 LEU N N 48 128.467 128.110 0.357 1
1 508 . 16 1 1 A 49 49 PRO HA H 49 3.923 4.312 -0.389 1
1 515 . 16 1 1 A 49 49 PRO C C 49 178.430 177.871 0.559 1
1 516 . 16 1 1 A 49 49 PRO CA C 49 67.000 65.047 1.953 1
1 517 . 16 1 1 A 49 49 PRO CB C 49 32.456 32.116 0.340 1
1 520 . 16 1 1 A 50 50 ARG H H 50 8.331 8.139 0.192 1
1 521 . 16 1 1 A 50 50 ARG HA H 50 4.239 4.013 0.226 1
1 528 . 16 1 1 A 50 50 ARG C C 50 176.940 178.891 -1.951 1
1 529 . 16 1 1 A 50 50 ARG CA C 50 58.130 59.570 -1.440 1
1 530 . 16 1 1 A 50 50 ARG CB C 50 29.200 29.803 -0.603 1
1 533 . 16 1 1 A 50 50 ARG N N 50 114.500 118.615 -4.115 1
1 534 . 16 1 1 A 51 51 GLY H H 51 8.199 8.186 0.013 1
1 535 . 16 1 1 A 51 51 GLY HA2 H 51 3.605 3.919 -0.314 1
1 536 . 16 1 1 A 51 51 GLY HA3 H 51 4.335 3.932 0.403 1
1 537 . 16 1 1 A 51 51 GLY C C 51 173.340 175.319 -1.979 1
1 538 . 16 1 1 A 51 51 GLY CA C 51 44.750 47.510 -2.760 1
1 539 . 16 1 1 A 51 51 GLY N N 51 107.942 107.141 0.801 1
1 540 . 16 1 1 A 52 52 GLN H H 52 7.475 7.762 -0.287 1
1 541 . 16 1 1 A 52 52 GLN HA H 52 4.315 4.360 -0.045 1
1 548 . 16 1 1 A 52 52 GLN C C 52 175.770 175.259 0.511 1
1 549 . 16 1 1 A 52 52 GLN CA C 52 56.023 56.071 -0.048 1
1 550 . 16 1 1 A 52 52 GLN CB C 52 31.494 29.592 1.902 1
1 552 . 16 1 1 A 52 52 GLN N N 52 119.769 118.788 0.981 1
1 554 . 16 1 1 A 53 53 LYS H H 53 8.586 8.751 -0.165 1
1 555 . 16 1 1 A 53 53 LYS HA H 53 4.500 4.796 -0.296 1
1 564 . 16 1 1 A 53 53 LYS C C 53 174.080 175.337 -1.257 1
1 565 . 16 1 1 A 53 53 LYS CA C 53 55.950 54.943 1.007 1
1 566 . 16 1 1 A 53 53 LYS CB C 53 34.690 33.880 0.810 1
1 570 . 16 1 1 A 53 53 LYS N N 53 123.759 124.737 -0.978 1
1 571 . 16 1 1 A 54 54 LEU H H 54 8.900 8.871 0.029 1
1 572 . 16 1 1 A 54 54 LEU HA H 54 5.271 4.585 0.686 1
1 582 . 16 1 1 A 54 54 LEU C C 54 174.940 176.196 -1.256 1
1 583 . 16 1 1 A 54 54 LEU CA C 54 53.250 54.535 -1.285 1
1 584 . 16 1 1 A 54 54 LEU CB C 54 45.042 41.351 3.691 1
1 588 . 16 1 1 A 54 54 LEU N N 54 126.200 125.734 0.466 1
1 589 . 16 1 1 A 55 55 ILE H H 55 9.330 8.858 0.472 1
1 590 . 16 1 1 A 55 55 ILE HA H 55 4.886 4.965 -0.079 1
1 600 . 16 1 1 A 55 55 ILE C C 55 175.623 174.109 1.514 1
1 601 . 16 1 1 A 55 55 ILE CA C 55 59.402 60.447 -1.045 1
1 602 . 16 1 1 A 55 55 ILE CB C 55 40.270 39.396 0.874 1
1 606 . 16 1 1 A 55 55 ILE N N 55 123.589 125.862 -2.273 1
1 607 . 16 1 1 A 56 56 PHE H H 56 9.241 9.179 0.062 1
1 608 . 16 1 1 A 56 56 PHE HA H 56 5.212 4.820 0.392 1
1 615 . 16 1 1 A 56 56 PHE C C 56 174.600 175.214 -0.614 1
1 616 . 16 1 1 A 56 56 PHE CA C 56 55.936 57.427 -1.491 1
1 617 . 16 1 1 A 56 56 PHE CB C 56 42.830 41.502 1.328 1
1 622 . 16 1 1 A 56 56 PHE N N 56 127.423 128.926 -1.503 1
1 625 . 16 1 1 A 57 57 LYS H H 57 9.307 9.449 -0.142 1
1 626 . 16 1 1 A 57 57 LYS HA H 57 3.630 3.667 -0.037 1
1 635 . 16 1 1 A 57 57 LYS C C 57 176.620 176.624 -0.004 1
1 636 . 16 1 1 A 57 57 LYS CA C 57 57.495 57.042 0.453 1
1 637 . 16 1 1 A 57 57 LYS CB C 57 30.100 29.806 0.294 1
1 641 . 16 1 1 A 57 57 LYS N N 57 128.612 128.144 0.468 1
1 642 . 16 1 1 A 58 58 GLY H H 58 8.288 8.540 -0.252 1
1 643 . 16 1 1 A 58 58 GLY HA2 H 58 3.487 3.812 -0.325 1
1 644 . 16 1 1 A 58 58 GLY HA3 H 58 4.098 3.824 0.274 1
1 645 . 16 1 1 A 58 58 GLY C C 58 173.568 173.539 0.029 1
1 646 . 16 1 1 A 58 58 GLY CA C 58 45.475 45.355 0.120 1
1 647 . 16 1 1 A 58 58 GLY N N 58 102.757 104.933 -2.176 1
1 648 . 16 1 1 A 59 59 LYS H H 59 7.900 7.811 0.089 1
1 649 . 16 1 1 A 59 59 LYS HA H 59 4.667 4.685 -0.018 1
1 658 . 16 1 1 A 59 59 LYS C C 59 174.830 175.101 -0.271 1
1 659 . 16 1 1 A 59 59 LYS CA C 59 55.222 54.754 0.468 1
1 660 . 16 1 1 A 59 59 LYS CB C 59 35.010 35.163 -0.153 1
1 664 . 16 1 1 A 59 59 LYS N N 59 121.753 121.438 0.315 1
1 665 . 16 1 1 A 60 60 VAL H H 60 8.587 8.643 -0.056 1
1 666 . 16 1 1 A 60 60 VAL HA H 60 4.209 4.360 -0.151 1
1 674 . 16 1 1 A 60 60 VAL C C 60 177.380 175.631 1.749 1
1 675 . 16 1 1 A 60 60 VAL CA C 60 63.080 62.573 0.507 1
1 676 . 16 1 1 A 60 60 VAL CB C 60 32.101 32.106 -0.005 1
1 679 . 16 1 1 A 60 60 VAL N N 60 123.795 126.477 -2.682 1
1 680 . 16 1 1 A 61 61 LEU H H 61 8.876 8.877 -0.001 1
1 681 . 16 1 1 A 61 61 LEU HA H 61 4.430 4.848 -0.418 1
1 691 . 16 1 1 A 61 61 LEU C C 61 176.660 176.866 -0.206 1
1 692 . 16 1 1 A 61 61 LEU CA C 61 54.760 53.471 1.289 1
1 693 . 16 1 1 A 61 61 LEU CB C 61 43.060 42.505 0.555 1
1 697 . 16 1 1 A 61 61 LEU N N 61 129.083 129.002 0.081 1
1 698 . 16 1 1 A 62 62 VAL H H 62 8.759 8.709 0.050 1
1 699 . 16 1 1 A 62 62 VAL HA H 62 3.989 4.016 -0.027 1
1 707 . 16 1 1 A 62 62 VAL C C 62 178.390 176.879 1.511 1
1 708 . 16 1 1 A 62 62 VAL CA C 62 63.077 63.592 -0.515 1
1 709 . 16 1 1 A 62 62 VAL CB C 62 32.440 31.989 0.451 1
1 712 . 16 1 1 A 62 62 VAL N N 62 124.193 125.213 -1.020 1
1 713 . 16 1 1 A 63 63 GLU H H 63 8.806 8.865 -0.059 1
1 714 . 16 1 1 A 63 63 GLU HA H 63 3.757 4.070 -0.313 1
1 719 . 16 1 1 A 63 63 GLU C C 63 176.500 177.846 -1.346 1
1 720 . 16 1 1 A 63 63 GLU CA C 63 60.509 59.635 0.874 1
1 721 . 16 1 1 A 63 63 GLU CB C 63 30.580 29.208 1.372 1
1 723 . 16 1 1 A 63 63 GLU N N 63 125.296 125.027 0.269 1
1 724 . 16 1 1 A 64 64 THR H H 64 7.100 7.577 -0.477 1
1 725 . 16 1 1 A 64 64 THR HA H 64 4.279 4.254 0.025 1
1 730 . 16 1 1 A 64 64 THR C C 64 175.290 174.841 0.449 1
1 731 . 16 1 1 A 64 64 THR CA C 64 61.466 62.703 -1.237 1
1 732 . 16 1 1 A 64 64 THR CB C 64 68.840 69.419 -0.579 1
1 734 . 16 1 1 A 64 64 THR N N 64 102.822 110.778 -7.956 1
1 735 . 16 1 1 A 65 65 SER H H 65 7.749 7.938 -0.189 1
1 736 . 16 1 1 A 65 65 SER HA H 65 4.676 4.873 -0.197 1
1 739 . 16 1 1 A 65 65 SER C C 65 174.300 174.315 -0.015 1
1 740 . 16 1 1 A 65 65 SER CA C 65 58.060 58.135 -0.075 1
1 741 . 16 1 1 A 65 65 SER CB C 65 64.950 64.212 0.738 1
1 742 . 16 1 1 A 65 65 SER N N 65 117.966 118.561 -0.595 1
1 743 . 16 1 1 A 66 66 THR H H 66 8.512 8.548 -0.036 1
1 744 . 16 1 1 A 66 66 THR HA H 66 5.032 4.884 0.148 1
1 750 . 16 1 1 A 66 66 THR C C 66 177.300 176.331 0.969 1
1 751 . 16 1 1 A 66 66 THR CA C 66 60.200 60.077 0.123 1
1 752 . 16 1 1 A 66 66 THR CB C 66 71.550 71.481 0.069 1
1 754 . 16 1 1 A 66 66 THR N N 66 111.490 115.231 -3.741 1
1 755 . 16 1 1 A 67 67 LEU H H 67 8.451 8.648 -0.197 1
1 756 . 16 1 1 A 67 67 LEU HA H 67 3.753 3.842 -0.089 1
1 766 . 16 1 1 A 67 67 LEU C C 67 179.170 178.989 0.181 1
1 767 . 16 1 1 A 67 67 LEU CA C 67 59.234 58.099 1.135 1
1 768 . 16 1 1 A 67 67 LEU CB C 67 38.897 41.421 -2.524 1
1 772 . 16 1 1 A 67 67 LEU N N 67 122.302 123.320 -1.018 1
1 773 . 16 1 1 A 68 68 LYS H H 68 8.313 8.097 0.216 1
1 774 . 16 1 1 A 68 68 LYS HA H 68 4.090 3.890 0.200 1
1 783 . 16 1 1 A 68 68 LYS C C 68 180.950 178.995 1.955 1
1 784 . 16 1 1 A 68 68 LYS CA C 68 59.620 59.038 0.582 1
1 785 . 16 1 1 A 68 68 LYS CB C 68 32.490 31.941 0.549 1
1 789 . 16 1 1 A 68 68 LYS N N 68 120.066 121.197 -1.131 1
1 790 . 16 1 1 A 69 69 GLN H H 69 8.019 7.792 0.227 1
1 791 . 16 1 1 A 69 69 GLN HA H 69 4.086 4.134 -0.048 1
1 798 . 16 1 1 A 69 69 GLN C C 69 177.840 177.546 0.294 1
1 799 . 16 1 1 A 69 69 GLN CA C 69 58.260 58.517 -0.257 1
1 800 . 16 1 1 A 69 69 GLN CB C 69 28.580 28.759 -0.179 1
1 802 . 16 1 1 A 69 69 GLN N N 69 119.594 118.147 1.447 1
1 804 . 16 1 1 A 70 70 SER H H 70 7.544 7.609 -0.065 1
1 805 . 16 1 1 A 70 70 SER HA H 70 4.517 4.597 -0.080 1
1 808 . 16 1 1 A 70 70 SER C C 70 171.870 172.774 -0.904 1
1 809 . 16 1 1 A 70 70 SER CA C 70 58.920 58.224 0.696 1
1 810 . 16 1 1 A 70 70 SER CB C 70 64.446 63.410 1.036 1
1 811 . 16 1 1 A 70 70 SER N N 70 114.028 111.578 2.450 1
1 812 . 16 1 1 A 71 71 ASP H H 71 7.882 8.108 -0.226 1
1 813 . 16 1 1 A 71 71 ASP HA H 71 4.278 4.308 -0.030 1
1 816 . 16 1 1 A 71 71 ASP C C 71 174.050 175.609 -1.559 1
1 817 . 16 1 1 A 71 71 ASP CA C 71 55.660 55.527 0.133 1
1 818 . 16 1 1 A 71 71 ASP CB C 71 39.540 40.052 -0.512 1
1 819 . 16 1 1 A 71 71 ASP N N 71 116.055 117.461 -1.406 1
1 820 . 16 1 1 A 72 72 VAL H H 72 7.723 7.689 0.034 1
1 821 . 16 1 1 A 72 72 VAL HA H 72 3.285 3.809 -0.524 1
1 829 . 16 1 1 A 72 72 VAL C C 72 173.980 176.147 -2.167 1
1 830 . 16 1 1 A 72 72 VAL CA C 72 62.744 61.624 1.120 1
1 831 . 16 1 1 A 72 72 VAL CB C 72 30.727 31.520 -0.793 1
1 834 . 16 1 1 A 72 72 VAL N N 72 119.423 119.294 0.129 1
1 835 . 16 1 1 A 73 73 GLY H H 73 7.722 8.498 -0.776 1
1 836 . 16 1 1 A 73 73 GLY HA2 H 73 3.590 4.220 -0.630 1
1 837 . 16 1 1 A 73 73 GLY HA3 H 73 4.416 4.234 0.182 1
1 838 . 16 1 1 A 73 73 GLY C C 73 172.450 172.120 0.330 1
1 839 . 16 1 1 A 73 73 GLY CA C 73 42.820 45.370 -2.550 1
1 840 . 16 1 1 A 73 73 GLY N N 73 114.445 114.658 -0.213 1
1 841 . 16 1 1 A 74 74 SER H H 74 8.552 8.525 0.027 1
1 842 . 16 1 1 A 74 74 SER HA H 74 4.365 4.237 0.128 1
1 845 . 16 1 1 A 74 74 SER C C 74 177.240 175.162 2.078 1
1 846 . 16 1 1 A 74 74 SER CA C 74 60.420 60.115 0.305 1
1 847 . 16 1 1 A 74 74 SER CB C 74 63.350 62.753 0.597 1
1 848 . 16 1 1 A 74 74 SER N N 74 111.883 115.196 -3.313 1
1 849 . 16 1 1 A 75 75 GLY H H 75 9.718 9.079 0.639 1
1 850 . 16 1 1 A 75 75 GLY HA2 H 75 3.693 3.981 -0.288 1
1 851 . 16 1 1 A 75 75 GLY HA3 H 75 4.328 3.983 0.345 1
1 852 . 16 1 1 A 75 75 GLY C C 75 174.500 174.797 -0.297 1
1 853 . 16 1 1 A 75 75 GLY CA C 75 44.990 45.281 -0.291 1
1 854 . 16 1 1 A 75 75 GLY N N 75 115.986 114.717 1.269 1
1 855 . 16 1 1 A 76 76 ALA H H 76 7.939 7.948 -0.009 1
1 856 . 16 1 1 A 76 76 ALA HA H 76 4.363 4.527 -0.164 1
1 860 . 16 1 1 A 76 76 ALA C C 76 176.170 176.647 -0.477 1
1 861 . 16 1 1 A 76 76 ALA CA C 76 53.372 52.404 0.968 1
1 862 . 16 1 1 A 76 76 ALA CB C 76 21.400 19.743 1.657 1
1 863 . 16 1 1 A 76 76 ALA N N 76 123.830 124.092 -0.262 1
1 864 . 16 1 1 A 77 77 LYS H H 77 8.435 9.054 -0.619 1
1 865 . 16 1 1 A 77 77 LYS HA H 77 5.195 4.920 0.275 1
1 874 . 16 1 1 A 77 77 LYS C C 77 175.450 175.499 -0.049 1
1 875 . 16 1 1 A 77 77 LYS CA C 77 54.930 55.061 -0.131 1
1 876 . 16 1 1 A 77 77 LYS CB C 77 33.520 34.828 -1.308 1
1 880 . 16 1 1 A 77 77 LYS N N 77 120.636 122.351 -1.715 1
1 881 . 16 1 1 A 78 78 LEU H H 78 9.016 9.443 -0.427 1
1 882 . 16 1 1 A 78 78 LEU HA H 78 5.225 5.111 0.114 1
1 892 . 16 1 1 A 78 78 LEU C C 78 175.970 175.338 0.632 1
1 893 . 16 1 1 A 78 78 LEU CA C 78 53.700 53.704 -0.004 1
1 894 . 16 1 1 A 78 78 LEU CB C 78 45.250 42.957 2.293 1
1 898 . 16 1 1 A 78 78 LEU N N 78 123.751 126.086 -2.335 1
1 899 . 16 1 1 A 79 79 MET H H 79 8.983 8.717 0.266 1
1 900 . 16 1 1 A 79 79 MET HA H 79 5.163 4.611 0.552 1
1 905 . 16 1 1 A 79 79 MET C C 79 173.970 175.251 -1.281 1
1 906 . 16 1 1 A 79 79 MET CA C 79 55.508 55.156 0.352 1
1 907 . 16 1 1 A 79 79 MET CB C 79 35.180 32.555 2.625 1
1 909 . 16 1 1 A 79 79 MET N N 79 120.990 125.629 -4.639 1
1 910 . 16 1 1 A 80 80 LEU H H 80 8.905 8.948 -0.043 1
1 911 . 16 1 1 A 80 80 LEU HA H 80 5.235 4.906 0.329 1
1 921 . 16 1 1 A 80 80 LEU C C 80 174.730 175.375 -0.645 1
1 922 . 16 1 1 A 80 80 LEU CA C 80 54.071 53.829 0.242 1
1 923 . 16 1 1 A 80 80 LEU CB C 80 43.540 43.398 0.142 1
1 927 . 16 1 1 A 81 81 MET H H 81 9.229 9.066 0.163 1
1 928 . 16 1 1 A 81 81 MET HA H 81 4.960 4.647 0.313 1
1 936 . 16 1 1 A 81 81 MET C C 81 174.450 175.082 -0.632 1
1 937 . 16 1 1 A 81 81 MET CA C 81 53.830 54.882 -1.052 1
1 938 . 16 1 1 A 81 81 MET CB C 81 34.810 32.101 2.709 1
1 941 . 16 1 1 A 81 81 MET N N 81 125.712 127.934 -2.222 1
1 942 . 16 1 1 A 82 82 ALA H H 82 8.891 8.511 0.380 1
1 943 . 16 1 1 A 82 82 ALA HA H 82 5.043 5.039 0.004 1
1 947 . 16 1 1 A 82 82 ALA C C 82 177.470 176.010 1.460 1
1 948 . 16 1 1 A 82 82 ALA CA C 82 51.010 51.123 -0.113 1
1 949 . 16 1 1 A 82 82 ALA CB C 82 21.124 20.033 1.091 1
1 950 . 16 1 1 A 82 82 ALA N N 82 126.315 130.556 -4.241 1
1 951 . 16 1 1 A 83 83 SER H H 83 8.719 8.865 -0.146 1
1 952 . 16 1 1 A 83 83 SER HA H 83 4.497 5.091 -0.594 1
1 955 . 16 1 1 A 83 83 SER C C 83 174.360 173.952 0.408 1
1 956 . 16 1 1 A 83 83 SER CA C 83 58.534 57.745 0.789 1
1 957 . 16 1 1 A 83 83 SER CB C 83 64.140 64.487 -0.347 1
1 958 . 16 1 1 A 83 83 SER N N 83 117.987 121.491 -3.504 1
1 959 . 16 1 1 A 84 84 GLN H H 84 8.629 8.787 -0.158 1
1 960 . 16 1 1 A 84 84 GLN HA H 84 4.449 4.295 0.154 1
1 967 . 16 1 1 A 84 84 GLN C C 84 175.370 178.555 -3.185 1
1 968 . 16 1 1 A 84 84 GLN CA C 84 55.890 58.527 -2.637 1
1 969 . 16 1 1 A 84 84 GLN CB C 84 29.860 29.158 0.702 1
1 971 . 16 1 1 A 84 84 GLN N N 84 122.746 124.756 -2.010 1
1 1 . 17 1 1 A 10 10 HIS HA H 10 4.506 4.798 -0.292 1
1 4 . 17 1 1 A 10 10 HIS C C 10 176.040 174.185 1.855 1
1 5 . 17 1 1 A 10 10 HIS CA C 10 55.850 55.154 0.696 1
1 6 . 17 1 1 A 10 10 HIS CB C 10 33.250 31.594 1.656 1
1 7 . 17 1 1 A 11 11 SER H H 11 8.462 7.682 0.780 1
1 8 . 17 1 1 A 11 11 SER HA H 11 4.516 4.615 -0.099 1
1 10 . 17 1 1 A 11 11 SER C C 11 174.050 174.096 -0.046 1
1 11 . 17 1 1 A 11 11 SER CA C 11 59.054 57.697 1.357 1
1 12 . 17 1 1 A 11 11 SER CB C 11 63.850 65.155 -1.305 1
1 13 . 17 1 1 A 11 11 SER N N 11 117.900 115.837 2.063 1
1 14 . 17 1 1 A 12 12 THR H H 12 7.923 8.327 -0.404 1
1 15 . 17 1 1 A 12 12 THR HA H 12 4.581 4.779 -0.198 1
1 20 . 17 1 1 A 12 12 THR C C 12 174.140 173.958 0.182 1
1 21 . 17 1 1 A 12 12 THR CA C 12 61.245 60.572 0.673 1
1 22 . 17 1 1 A 12 12 THR CB C 12 71.940 71.219 0.721 1
1 24 . 17 1 1 A 12 12 THR N N 12 112.783 113.471 -0.688 1
1 25 . 17 1 1 A 13 13 ILE H H 13 9.201 8.869 0.332 1
1 26 . 17 1 1 A 13 13 ILE HA H 13 4.532 4.853 -0.321 1
1 36 . 17 1 1 A 13 13 ILE C C 13 173.930 174.483 -0.553 1
1 37 . 17 1 1 A 13 13 ILE CA C 13 59.720 59.169 0.551 1
1 38 . 17 1 1 A 13 13 ILE CB C 13 41.597 40.925 0.672 1
1 42 . 17 1 1 A 13 13 ILE N N 13 117.602 114.187 3.415 1
1 43 . 17 1 1 A 14 14 LYS H H 14 8.077 8.584 -0.507 1
1 44 . 17 1 1 A 14 14 LYS HA H 14 5.110 4.591 0.519 1
1 53 . 17 1 1 A 14 14 LYS C C 14 175.360 175.419 -0.059 1
1 54 . 17 1 1 A 14 14 LYS CA C 14 55.200 56.152 -0.952 1
1 55 . 17 1 1 A 14 14 LYS CB C 14 33.130 32.804 0.326 1
1 59 . 17 1 1 A 14 14 LYS N N 14 122.699 124.843 -2.144 1
1 60 . 17 1 1 A 15 15 LEU H H 15 8.953 9.267 -0.314 1
1 61 . 17 1 1 A 15 15 LEU HA H 15 5.025 5.245 -0.220 1
1 71 . 17 1 1 A 15 15 LEU C C 15 176.400 176.015 0.385 1
1 72 . 17 1 1 A 15 15 LEU CA C 15 53.620 53.050 0.570 1
1 73 . 17 1 1 A 15 15 LEU CB C 15 45.380 44.744 0.636 1
1 77 . 17 1 1 A 15 15 LEU N N 15 121.650 126.313 -4.663 1
1 78 . 17 1 1 A 16 16 THR H H 16 8.412 8.413 -0.001 1
1 79 . 17 1 1 A 16 16 THR HA H 16 5.075 5.172 -0.097 1
1 84 . 17 1 1 A 16 16 THR C C 16 173.070 172.641 0.429 1
1 85 . 17 1 1 A 16 16 THR CA C 16 61.380 61.668 -0.288 1
1 86 . 17 1 1 A 16 16 THR CB C 16 71.700 71.299 0.401 1
1 88 . 17 1 1 A 16 16 THR N N 16 114.701 115.800 -1.099 1
1 89 . 17 1 1 A 17 17 VAL H H 17 9.083 9.187 -0.104 1
1 90 . 17 1 1 A 17 17 VAL HA H 17 4.600 4.895 -0.295 1
1 98 . 17 1 1 A 17 17 VAL C C 17 174.570 174.788 -0.218 1
1 99 . 17 1 1 A 17 17 VAL CA C 17 61.005 59.814 1.191 1
1 100 . 17 1 1 A 17 17 VAL CB C 17 33.600 33.898 -0.298 1
1 103 . 17 1 1 A 17 17 VAL N N 17 125.565 128.394 -2.829 1
1 104 . 17 1 1 A 18 18 LYS H H 18 9.183 8.215 0.968 1
1 105 . 17 1 1 A 18 18 LYS HA H 18 5.156 5.044 0.112 1
1 114 . 17 1 1 A 18 18 LYS C C 18 175.150 175.331 -0.181 1
1 115 . 17 1 1 A 18 18 LYS CA C 18 54.630 55.396 -0.766 1
1 116 . 17 1 1 A 18 18 LYS CB C 18 33.217 33.107 0.110 1
1 120 . 17 1 1 A 18 18 LYS N N 18 129.200 125.361 3.839 1
1 121 . 17 1 1 A 19 19 PHE H H 19 8.927 9.040 -0.113 1
1 122 . 17 1 1 A 19 19 PHE HA H 19 5.377 4.856 0.521 1
1 129 . 17 1 1 A 19 19 PHE C C 19 175.850 176.160 -0.310 1
1 130 . 17 1 1 A 19 19 PHE CA C 19 55.330 57.263 -1.933 1
1 131 . 17 1 1 A 19 19 PHE CB C 19 41.690 39.514 2.176 1
1 136 . 17 1 1 A 19 19 PHE N N 19 126.659 122.572 4.087 1
1 139 . 17 1 1 A 20 20 GLY H H 20 9.275 9.101 0.174 1
1 140 . 17 1 1 A 20 20 GLY HA2 H 20 3.580 3.895 -0.315 1
1 141 . 17 1 1 A 20 20 GLY HA3 H 20 3.578 3.912 -0.334 1
1 142 . 17 1 1 A 20 20 GLY C C 20 175.090 175.111 -0.021 1
1 143 . 17 1 1 A 20 20 GLY CA C 20 47.070 47.300 -0.230 1
1 144 . 17 1 1 A 20 20 GLY N N 20 119.629 114.811 4.818 1
1 145 . 17 1 1 A 21 21 GLY H H 21 8.819 8.817 0.002 1
1 146 . 17 1 1 A 21 21 GLY HA2 H 21 3.942 4.014 -0.072 1
1 147 . 17 1 1 A 21 21 GLY HA3 H 21 3.942 4.016 -0.074 1
1 148 . 17 1 1 A 21 21 GLY C C 21 173.890 173.990 -0.100 1
1 149 . 17 1 1 A 21 21 GLY CA C 21 45.290 45.039 0.251 1
1 150 . 17 1 1 A 21 21 GLY N N 21 111.500 114.350 -2.850 1
1 151 . 17 1 1 A 22 22 LYS H H 22 7.975 7.751 0.224 1
1 152 . 17 1 1 A 22 22 LYS HA H 22 4.616 4.512 0.104 1
1 161 . 17 1 1 A 22 22 LYS C C 22 175.450 175.589 -0.139 1
1 162 . 17 1 1 A 22 22 LYS CA C 22 55.514 55.510 0.004 1
1 163 . 17 1 1 A 22 22 LYS CB C 22 34.790 33.634 1.156 1
1 167 . 17 1 1 A 22 22 LYS N N 22 121.832 120.566 1.266 1
1 168 . 17 1 1 A 23 23 SER H H 23 8.722 8.839 -0.117 1
1 169 . 17 1 1 A 23 23 SER HA H 23 4.841 4.973 -0.132 1
1 172 . 17 1 1 A 23 23 SER C C 23 173.910 173.738 0.172 1
1 173 . 17 1 1 A 23 23 SER CA C 23 58.344 58.361 -0.017 1
1 174 . 17 1 1 A 23 23 SER CB C 23 64.237 63.837 0.400 1
1 175 . 17 1 1 A 23 23 SER N N 23 119.004 119.997 -0.993 1
1 176 . 17 1 1 A 24 24 ILE H H 24 9.444 9.342 0.102 1
1 177 . 17 1 1 A 24 24 ILE HA H 24 4.502 4.669 -0.167 1
1 187 . 17 1 1 A 24 24 ILE C C 24 173.590 174.898 -1.308 1
1 188 . 17 1 1 A 24 24 ILE CA C 24 59.145 58.250 0.895 1
1 189 . 17 1 1 A 24 24 ILE CB C 24 40.620 38.921 1.699 1
1 193 . 17 1 1 A 24 24 ILE N N 24 129.205 127.934 1.271 1
1 194 . 17 1 1 A 25 25 PRO HA H 25 5.179 5.160 0.019 1
1 201 . 17 1 1 A 25 25 PRO C C 25 176.750 175.925 0.825 1
1 202 . 17 1 1 A 25 25 PRO CA C 25 61.740 62.383 -0.643 1
1 203 . 17 1 1 A 25 25 PRO CB C 25 32.010 31.730 0.280 1
1 206 . 17 1 1 A 26 26 LEU H H 26 8.720 8.866 -0.146 1
1 207 . 17 1 1 A 26 26 LEU HA H 26 4.731 4.920 -0.189 1
1 217 . 17 1 1 A 26 26 LEU C C 26 175.450 175.292 0.158 1
1 218 . 17 1 1 A 26 26 LEU CA C 26 54.731 53.217 1.514 1
1 219 . 17 1 1 A 26 26 LEU CB C 26 47.766 45.739 2.027 1
1 223 . 17 1 1 A 26 26 LEU N N 26 122.986 125.149 -2.163 1
1 224 . 17 1 1 A 27 27 SER H H 27 8.404 8.904 -0.500 1
1 225 . 17 1 1 A 27 27 SER HA H 27 5.504 5.336 0.168 1
1 228 . 17 1 1 A 27 27 SER C C 27 174.498 173.656 0.842 1
1 229 . 17 1 1 A 27 27 SER CA C 27 57.000 56.927 0.073 1
1 230 . 17 1 1 A 27 27 SER CB C 27 63.850 63.416 0.434 1
1 231 . 17 1 1 A 27 27 SER N N 27 118.151 119.443 -1.292 1
1 232 . 17 1 1 A 28 28 VAL H H 28 8.743 8.234 0.509 1
1 233 . 17 1 1 A 28 28 VAL HA H 28 4.792 4.861 -0.069 1
1 241 . 17 1 1 A 28 28 VAL C C 28 174.250 175.584 -1.334 1
1 242 . 17 1 1 A 28 28 VAL CA C 28 58.792 59.667 -0.875 1
1 243 . 17 1 1 A 28 28 VAL CB C 28 36.600 34.296 2.304 1
1 246 . 17 1 1 A 28 28 VAL N N 28 118.097 122.677 -4.580 1
1 247 . 17 1 1 A 29 29 SER H H 29 8.694 8.567 0.127 1
1 248 . 17 1 1 A 29 29 SER HA H 29 4.960 4.500 0.460 1
1 251 . 17 1 1 A 29 29 SER C C 29 175.159 174.712 0.447 1
1 252 . 17 1 1 A 29 29 SER CA C 29 55.925 57.099 -1.174 1
1 253 . 17 1 1 A 29 29 SER CB C 29 64.080 62.794 1.286 1
1 254 . 17 1 1 A 29 29 SER N N 29 116.965 118.743 -1.778 1
1 255 . 17 1 1 A 30 30 PRO HA H 30 4.277 4.282 -0.005 1
1 262 . 17 1 1 A 30 30 PRO C C 30 175.705 177.247 -1.542 1
1 263 . 17 1 1 A 30 30 PRO CA C 30 64.825 65.154 -0.329 1
1 264 . 17 1 1 A 30 30 PRO CB C 30 32.074 31.546 0.528 1
1 267 . 17 1 1 A 31 31 ASP H H 31 7.818 8.314 -0.496 1
1 268 . 17 1 1 A 31 31 ASP HA H 31 4.725 4.762 -0.037 1
1 271 . 17 1 1 A 31 31 ASP C C 31 175.040 175.035 0.005 1
1 272 . 17 1 1 A 31 31 ASP CA C 31 54.160 53.858 0.302 1
1 273 . 17 1 1 A 31 31 ASP CB C 31 41.590 41.478 0.112 1
1 274 . 17 1 1 A 31 31 ASP N N 31 114.503 116.244 -1.741 1
1 275 . 17 1 1 A 32 32 CYS H H 32 7.657 7.189 0.468 1
1 276 . 17 1 1 A 32 32 CYS HA H 32 4.483 4.871 -0.388 1
1 279 . 17 1 1 A 32 32 CYS C C 32 174.805 174.544 0.261 1
1 280 . 17 1 1 A 32 32 CYS CA C 32 59.510 57.397 2.113 1
1 281 . 17 1 1 A 32 32 CYS CB C 32 28.010 28.561 -0.551 1
1 282 . 17 1 1 A 32 32 CYS N N 32 119.852 120.518 -0.666 1
1 283 . 17 1 1 A 33 33 THR H H 33 8.992 8.706 0.286 1
1 284 . 17 1 1 A 33 33 THR HA H 33 4.861 4.611 0.250 1
1 289 . 17 1 1 A 33 33 THR C C 33 176.350 175.992 0.358 1
1 290 . 17 1 1 A 33 33 THR CA C 33 61.165 61.389 -0.224 1
1 291 . 17 1 1 A 33 33 THR CB C 33 71.968 70.437 1.531 1
1 293 . 17 1 1 A 33 33 THR N N 33 115.278 116.883 -1.605 1
1 294 . 17 1 1 A 34 34 VAL H H 34 8.558 8.763 -0.205 1
1 295 . 17 1 1 A 34 34 VAL HA H 34 3.384 3.881 -0.497 1
1 303 . 17 1 1 A 34 34 VAL C C 34 177.880 177.541 0.339 1
1 304 . 17 1 1 A 34 34 VAL CA C 34 67.050 64.788 2.262 1
1 305 . 17 1 1 A 34 34 VAL CB C 34 31.303 31.502 -0.199 1
1 308 . 17 1 1 A 34 34 VAL N N 34 123.274 120.191 3.083 1
1 309 . 17 1 1 A 35 35 LYS H H 35 8.316 7.433 0.883 1
1 310 . 17 1 1 A 35 35 LYS HA H 35 3.758 3.927 -0.169 1
1 319 . 17 1 1 A 35 35 LYS C C 35 178.180 178.053 0.127 1
1 320 . 17 1 1 A 35 35 LYS CA C 35 60.812 59.185 1.627 1
1 321 . 17 1 1 A 35 35 LYS CB C 35 32.610 32.319 0.291 1
1 325 . 17 1 1 A 35 35 LYS N N 35 119.813 121.378 -1.565 1
1 326 . 17 1 1 A 36 36 ASP H H 36 7.959 7.968 -0.009 1
1 327 . 17 1 1 A 36 36 ASP HA H 36 4.414 4.330 0.084 1
1 330 . 17 1 1 A 36 36 ASP C C 36 179.395 178.611 0.784 1
1 331 . 17 1 1 A 36 36 ASP CA C 36 57.360 57.767 -0.407 1
1 332 . 17 1 1 A 36 36 ASP CB C 36 40.350 41.747 -1.397 1
1 333 . 17 1 1 A 36 36 ASP N N 36 120.728 120.098 0.630 1
1 334 . 17 1 1 A 37 37 LEU H H 37 8.147 8.319 -0.172 1
1 335 . 17 1 1 A 37 37 LEU HA H 37 3.976 3.912 0.064 1
1 345 . 17 1 1 A 37 37 LEU C C 37 178.630 179.077 -0.447 1
1 346 . 17 1 1 A 37 37 LEU CA C 37 58.210 58.006 0.204 1
1 347 . 17 1 1 A 37 37 LEU CB C 37 41.470 41.625 -0.155 1
1 351 . 17 1 1 A 37 37 LEU N N 37 123.841 119.956 3.885 1
1 352 . 17 1 1 A 38 38 LYS H H 38 8.308 7.752 0.556 1
1 353 . 17 1 1 A 38 38 LYS HA H 38 4.505 4.664 -0.159 1
1 362 . 17 1 1 A 38 38 LYS C C 38 180.780 178.706 2.074 1
1 363 . 17 1 1 A 38 38 LYS CA C 38 59.910 58.833 1.077 1
1 364 . 17 1 1 A 38 38 LYS CB C 38 34.270 32.041 2.229 1
1 368 . 17 1 1 A 38 38 LYS N N 38 117.736 117.790 -0.054 1
1 369 . 17 1 1 A 39 39 SER H H 39 7.952 7.727 0.225 1
1 370 . 17 1 1 A 39 39 SER HA H 39 4.230 4.551 -0.321 1
1 373 . 17 1 1 A 39 39 SER C C 39 177.240 177.347 -0.107 1
1 374 . 17 1 1 A 39 39 SER CA C 39 62.440 61.200 1.240 1
1 375 . 17 1 1 A 39 39 SER CB C 39 62.670 62.850 -0.180 1
1 376 . 17 1 1 A 39 39 SER N N 39 115.100 115.672 -0.572 1
1 377 . 17 1 1 A 40 40 GLN H H 40 7.899 7.936 -0.037 1
1 378 . 17 1 1 A 40 40 GLN HA H 40 4.125 4.092 0.033 1
1 385 . 17 1 1 A 40 40 GLN C C 40 178.330 179.133 -0.803 1
1 386 . 17 1 1 A 40 40 GLN CA C 40 59.045 58.858 0.187 1
1 387 . 17 1 1 A 40 40 GLN CB C 40 28.893 28.315 0.578 1
1 389 . 17 1 1 A 40 40 GLN N N 40 121.600 121.784 -0.184 1
1 391 . 17 1 1 A 41 41 LEU H H 41 8.010 8.557 -0.547 1
1 392 . 17 1 1 A 41 41 LEU HA H 41 4.130 4.116 0.014 1
1 402 . 17 1 1 A 41 41 LEU C C 41 179.980 179.333 0.647 1
1 403 . 17 1 1 A 41 41 LEU CA C 41 56.472 57.308 -0.836 1
1 404 . 17 1 1 A 41 41 LEU CB C 41 42.660 41.117 1.543 1
1 408 . 17 1 1 A 41 41 LEU N N 41 116.657 120.122 -3.465 1
1 409 . 17 1 1 A 42 42 GLN H H 42 7.903 8.224 -0.321 1
1 410 . 17 1 1 A 42 42 GLN HA H 42 4.180 4.133 0.047 1
1 417 . 17 1 1 A 42 42 GLN C C 42 174.350 175.189 -0.839 1
1 418 . 17 1 1 A 42 42 GLN CA C 42 61.300 60.478 0.822 1
1 419 . 17 1 1 A 42 42 GLN CB C 42 25.250 27.335 -2.085 1
1 421 . 17 1 1 A 42 42 GLN N N 42 125.104 119.695 5.409 1
1 423 . 17 1 1 A 43 43 PRO HA H 43 4.410 4.404 0.006 1
1 430 . 17 1 1 A 43 43 PRO C C 43 177.270 177.458 -0.188 1
1 431 . 17 1 1 A 43 43 PRO CA C 43 65.130 64.434 0.696 1
1 432 . 17 1 1 A 43 43 PRO CB C 43 31.208 31.470 -0.262 1
1 435 . 17 1 1 A 44 44 ILE H H 44 6.568 7.536 -0.968 1
1 436 . 17 1 1 A 44 44 ILE HA H 44 3.959 4.119 -0.160 1
1 446 . 17 1 1 A 44 44 ILE C C 44 177.060 177.634 -0.574 1
1 447 . 17 1 1 A 44 44 ILE CA C 44 63.670 62.206 1.464 1
1 448 . 17 1 1 A 44 44 ILE CB C 44 40.270 38.709 1.561 1
1 452 . 17 1 1 A 44 44 ILE N N 44 114.765 116.360 -1.595 1
1 453 . 17 1 1 A 45 45 THR H H 45 7.826 8.059 -0.233 1
1 454 . 17 1 1 A 45 45 THR HA H 45 4.202 4.307 -0.105 1
1 459 . 17 1 1 A 45 45 THR C C 45 174.990 174.635 0.355 1
1 460 . 17 1 1 A 45 45 THR CA C 45 62.696 61.286 1.410 1
1 461 . 17 1 1 A 45 45 THR CB C 45 71.682 68.985 2.697 1
1 463 . 17 1 1 A 45 45 THR N N 45 107.323 109.159 -1.836 1
1 464 . 17 1 1 A 46 46 ASN H H 46 8.660 7.846 0.814 1
1 465 . 17 1 1 A 46 46 ASN HA H 46 4.381 4.575 -0.194 1
1 470 . 17 1 1 A 46 46 ASN C C 46 173.900 173.367 0.533 1
1 471 . 17 1 1 A 46 46 ASN CA C 46 54.890 54.469 0.421 1
1 472 . 17 1 1 A 46 46 ASN CB C 46 38.207 37.060 1.147 1
1 473 . 17 1 1 A 46 46 ASN N N 46 117.586 116.276 1.310 1
1 475 . 17 1 1 A 47 47 VAL H H 47 7.517 7.761 -0.244 1
1 476 . 17 1 1 A 47 47 VAL HA H 47 4.134 4.473 -0.339 1
1 484 . 17 1 1 A 47 47 VAL C C 47 176.140 175.295 0.845 1
1 485 . 17 1 1 A 47 47 VAL CA C 47 61.763 60.969 0.794 1
1 486 . 17 1 1 A 47 47 VAL CB C 47 32.925 33.309 -0.384 1
1 489 . 17 1 1 A 47 47 VAL N N 47 119.901 118.931 0.970 1
1 490 . 17 1 1 A 48 48 LEU H H 48 8.650 8.612 0.038 1
1 491 . 17 1 1 A 48 48 LEU HA H 48 4.194 4.601 -0.407 1
1 501 . 17 1 1 A 48 48 LEU C C 48 177.110 176.829 0.281 1
1 502 . 17 1 1 A 48 48 LEU CA C 48 54.491 53.022 1.469 1
1 503 . 17 1 1 A 48 48 LEU CB C 48 41.171 41.554 -0.383 1
1 507 . 17 1 1 A 48 48 LEU N N 48 128.467 128.744 -0.277 1
1 508 . 17 1 1 A 49 49 PRO HA H 49 3.923 4.216 -0.293 1
1 515 . 17 1 1 A 49 49 PRO C C 49 178.430 177.904 0.526 1
1 516 . 17 1 1 A 49 49 PRO CA C 49 67.000 65.695 1.305 1
1 517 . 17 1 1 A 49 49 PRO CB C 49 32.456 31.899 0.557 1
1 520 . 17 1 1 A 50 50 ARG H H 50 8.331 8.254 0.077 1
1 521 . 17 1 1 A 50 50 ARG HA H 50 4.239 4.054 0.185 1
1 528 . 17 1 1 A 50 50 ARG C C 50 176.940 178.472 -1.532 1
1 529 . 17 1 1 A 50 50 ARG CA C 50 58.130 59.476 -1.346 1
1 530 . 17 1 1 A 50 50 ARG CB C 50 29.200 29.818 -0.618 1
1 533 . 17 1 1 A 50 50 ARG N N 50 114.500 118.533 -4.033 1
1 534 . 17 1 1 A 51 51 GLY H H 51 8.199 8.283 -0.084 1
1 535 . 17 1 1 A 51 51 GLY HA2 H 51 3.605 3.997 -0.392 1
1 536 . 17 1 1 A 51 51 GLY HA3 H 51 4.335 4.007 0.328 1
1 537 . 17 1 1 A 51 51 GLY C C 51 173.340 174.200 -0.860 1
1 538 . 17 1 1 A 51 51 GLY CA C 51 44.750 45.369 -0.619 1
1 539 . 17 1 1 A 51 51 GLY N N 51 107.942 106.682 1.260 1
1 540 . 17 1 1 A 52 52 GLN H H 52 7.475 7.791 -0.316 1
1 541 . 17 1 1 A 52 52 GLN HA H 52 4.315 4.478 -0.163 1
1 548 . 17 1 1 A 52 52 GLN C C 52 175.770 174.552 1.218 1
1 549 . 17 1 1 A 52 52 GLN CA C 52 56.023 54.583 1.440 1
1 550 . 17 1 1 A 52 52 GLN CB C 52 31.494 27.651 3.843 1
1 552 . 17 1 1 A 52 52 GLN N N 52 119.769 119.349 0.420 1
1 554 . 17 1 1 A 53 53 LYS H H 53 8.586 8.190 0.396 1
1 555 . 17 1 1 A 53 53 LYS HA H 53 4.500 4.645 -0.145 1
1 564 . 17 1 1 A 53 53 LYS C C 53 174.080 175.358 -1.278 1
1 565 . 17 1 1 A 53 53 LYS CA C 53 55.950 55.279 0.671 1
1 566 . 17 1 1 A 53 53 LYS CB C 53 34.690 32.167 2.523 1
1 570 . 17 1 1 A 53 53 LYS N N 53 123.759 124.693 -0.934 1
1 571 . 17 1 1 A 54 54 LEU H H 54 8.900 8.655 0.245 1
1 572 . 17 1 1 A 54 54 LEU HA H 54 5.271 4.682 0.589 1
1 582 . 17 1 1 A 54 54 LEU C C 54 174.940 175.613 -0.673 1
1 583 . 17 1 1 A 54 54 LEU CA C 54 53.250 54.429 -1.179 1
1 584 . 17 1 1 A 54 54 LEU CB C 54 45.042 40.903 4.139 1
1 588 . 17 1 1 A 54 54 LEU N N 54 126.200 126.161 0.039 1
1 589 . 17 1 1 A 55 55 ILE H H 55 9.330 8.511 0.819 1
1 590 . 17 1 1 A 55 55 ILE HA H 55 4.886 5.235 -0.349 1
1 600 . 17 1 1 A 55 55 ILE C C 55 175.623 174.822 0.801 1
1 601 . 17 1 1 A 55 55 ILE CA C 55 59.402 59.877 -0.475 1
1 602 . 17 1 1 A 55 55 ILE CB C 55 40.270 40.507 -0.237 1
1 606 . 17 1 1 A 55 55 ILE N N 55 123.589 125.618 -2.029 1
1 607 . 17 1 1 A 56 56 PHE H H 56 9.241 9.412 -0.171 1
1 608 . 17 1 1 A 56 56 PHE HA H 56 5.212 4.930 0.282 1
1 615 . 17 1 1 A 56 56 PHE C C 56 174.600 174.747 -0.147 1
1 616 . 17 1 1 A 56 56 PHE CA C 56 55.936 57.327 -1.391 1
1 617 . 17 1 1 A 56 56 PHE CB C 56 42.830 42.410 0.420 1
1 622 . 17 1 1 A 56 56 PHE N N 56 127.423 126.576 0.847 1
1 625 . 17 1 1 A 57 57 LYS H H 57 9.307 9.432 -0.125 1
1 626 . 17 1 1 A 57 57 LYS HA H 57 3.630 3.663 -0.033 1
1 635 . 17 1 1 A 57 57 LYS C C 57 176.620 176.523 0.097 1
1 636 . 17 1 1 A 57 57 LYS CA C 57 57.495 57.068 0.427 1
1 637 . 17 1 1 A 57 57 LYS CB C 57 30.100 29.877 0.223 1
1 641 . 17 1 1 A 57 57 LYS N N 57 128.612 128.076 0.536 1
1 642 . 17 1 1 A 58 58 GLY H H 58 8.288 8.482 -0.194 1
1 643 . 17 1 1 A 58 58 GLY HA2 H 58 3.487 3.829 -0.342 1
1 644 . 17 1 1 A 58 58 GLY HA3 H 58 4.098 3.841 0.257 1
1 645 . 17 1 1 A 58 58 GLY C C 58 173.568 173.594 -0.026 1
1 646 . 17 1 1 A 58 58 GLY CA C 58 45.475 45.385 0.090 1
1 647 . 17 1 1 A 58 58 GLY N N 58 102.757 105.192 -2.435 1
1 648 . 17 1 1 A 59 59 LYS H H 59 7.900 7.764 0.136 1
1 649 . 17 1 1 A 59 59 LYS HA H 59 4.667 4.729 -0.062 1
1 658 . 17 1 1 A 59 59 LYS C C 59 174.830 175.202 -0.372 1
1 659 . 17 1 1 A 59 59 LYS CA C 59 55.222 54.736 0.486 1
1 660 . 17 1 1 A 59 59 LYS CB C 59 35.010 35.236 -0.226 1
1 664 . 17 1 1 A 59 59 LYS N N 59 121.753 120.943 0.810 1
1 665 . 17 1 1 A 60 60 VAL H H 60 8.587 8.681 -0.094 1
1 666 . 17 1 1 A 60 60 VAL HA H 60 4.209 4.244 -0.035 1
1 674 . 17 1 1 A 60 60 VAL C C 60 177.380 176.034 1.346 1
1 675 . 17 1 1 A 60 60 VAL CA C 60 63.080 62.938 0.142 1
1 676 . 17 1 1 A 60 60 VAL CB C 60 32.101 31.526 0.575 1
1 679 . 17 1 1 A 60 60 VAL N N 60 123.795 126.428 -2.633 1
1 680 . 17 1 1 A 61 61 LEU H H 61 8.876 8.736 0.140 1
1 681 . 17 1 1 A 61 61 LEU HA H 61 4.430 4.419 0.011 1
1 691 . 17 1 1 A 61 61 LEU C C 61 176.660 176.922 -0.262 1
1 692 . 17 1 1 A 61 61 LEU CA C 61 54.760 54.351 0.409 1
1 693 . 17 1 1 A 61 61 LEU CB C 61 43.060 41.886 1.174 1
1 697 . 17 1 1 A 61 61 LEU N N 61 129.083 129.549 -0.466 1
1 698 . 17 1 1 A 62 62 VAL H H 62 8.759 8.662 0.097 1
1 699 . 17 1 1 A 62 62 VAL HA H 62 3.989 3.984 0.005 1
1 707 . 17 1 1 A 62 62 VAL C C 62 178.390 176.474 1.916 1
1 708 . 17 1 1 A 62 62 VAL CA C 62 63.077 63.578 -0.501 1
1 709 . 17 1 1 A 62 62 VAL CB C 62 32.440 31.973 0.467 1
1 712 . 17 1 1 A 62 62 VAL N N 62 124.193 125.028 -0.835 1
1 713 . 17 1 1 A 63 63 GLU H H 63 8.806 8.718 0.088 1
1 714 . 17 1 1 A 63 63 GLU HA H 63 3.757 3.998 -0.241 1
1 719 . 17 1 1 A 63 63 GLU C C 63 176.500 177.917 -1.417 1
1 720 . 17 1 1 A 63 63 GLU CA C 63 60.509 59.583 0.926 1
1 721 . 17 1 1 A 63 63 GLU CB C 63 30.580 29.354 1.226 1
1 723 . 17 1 1 A 63 63 GLU N N 63 125.296 125.472 -0.176 1
1 724 . 17 1 1 A 64 64 THR H H 64 7.100 7.548 -0.448 1
1 725 . 17 1 1 A 64 64 THR HA H 64 4.279 4.339 -0.060 1
1 730 . 17 1 1 A 64 64 THR C C 64 175.290 173.875 1.415 1
1 731 . 17 1 1 A 64 64 THR CA C 64 61.466 62.336 -0.870 1
1 732 . 17 1 1 A 64 64 THR CB C 64 68.840 69.311 -0.471 1
1 734 . 17 1 1 A 64 64 THR N N 64 102.822 110.246 -7.424 1
1 735 . 17 1 1 A 65 65 SER H H 65 7.749 7.878 -0.129 1
1 736 . 17 1 1 A 65 65 SER HA H 65 4.676 4.888 -0.212 1
1 739 . 17 1 1 A 65 65 SER C C 65 174.300 173.634 0.666 1
1 740 . 17 1 1 A 65 65 SER CA C 65 58.060 56.641 1.419 1
1 741 . 17 1 1 A 65 65 SER CB C 65 64.950 65.220 -0.270 1
1 742 . 17 1 1 A 65 65 SER N N 65 117.966 118.992 -1.026 1
1 743 . 17 1 1 A 66 66 THR H H 66 8.512 8.595 -0.083 1
1 744 . 17 1 1 A 66 66 THR HA H 66 5.032 4.798 0.234 1
1 750 . 17 1 1 A 66 66 THR C C 66 177.300 176.350 0.950 1
1 751 . 17 1 1 A 66 66 THR CA C 66 60.200 60.030 0.170 1
1 752 . 17 1 1 A 66 66 THR CB C 66 71.550 71.856 -0.306 1
1 754 . 17 1 1 A 66 66 THR N N 66 111.490 114.999 -3.509 1
1 755 . 17 1 1 A 67 67 LEU H H 67 8.451 8.421 0.030 1
1 756 . 17 1 1 A 67 67 LEU HA H 67 3.753 3.895 -0.142 1
1 766 . 17 1 1 A 67 67 LEU C C 67 179.170 179.084 0.086 1
1 767 . 17 1 1 A 67 67 LEU CA C 67 59.234 58.302 0.932 1
1 768 . 17 1 1 A 67 67 LEU CB C 67 38.897 41.678 -2.781 1
1 772 . 17 1 1 A 67 67 LEU N N 67 122.302 122.645 -0.343 1
1 773 . 17 1 1 A 68 68 LYS H H 68 8.313 8.295 0.018 1
1 774 . 17 1 1 A 68 68 LYS HA H 68 4.090 3.899 0.191 1
1 783 . 17 1 1 A 68 68 LYS C C 68 180.950 179.069 1.881 1
1 784 . 17 1 1 A 68 68 LYS CA C 68 59.620 59.072 0.548 1
1 785 . 17 1 1 A 68 68 LYS CB C 68 32.490 31.921 0.569 1
1 789 . 17 1 1 A 68 68 LYS N N 68 120.066 119.715 0.351 1
1 790 . 17 1 1 A 69 69 GLN H H 69 8.019 8.093 -0.074 1
1 791 . 17 1 1 A 69 69 GLN HA H 69 4.086 4.147 -0.061 1
1 798 . 17 1 1 A 69 69 GLN C C 69 177.840 177.526 0.314 1
1 799 . 17 1 1 A 69 69 GLN CA C 69 58.260 58.443 -0.183 1
1 800 . 17 1 1 A 69 69 GLN CB C 69 28.580 28.365 0.215 1
1 802 . 17 1 1 A 69 69 GLN N N 69 119.594 118.948 0.646 1
1 804 . 17 1 1 A 70 70 SER H H 70 7.544 7.606 -0.062 1
1 805 . 17 1 1 A 70 70 SER HA H 70 4.517 4.587 -0.070 1
1 808 . 17 1 1 A 70 70 SER C C 70 171.870 172.839 -0.969 1
1 809 . 17 1 1 A 70 70 SER CA C 70 58.920 58.245 0.675 1
1 810 . 17 1 1 A 70 70 SER CB C 70 64.446 63.192 1.254 1
1 811 . 17 1 1 A 70 70 SER N N 70 114.028 111.613 2.415 1
1 812 . 17 1 1 A 71 71 ASP H H 71 7.882 7.891 -0.009 1
1 813 . 17 1 1 A 71 71 ASP HA H 71 4.278 4.364 -0.086 1
1 816 . 17 1 1 A 71 71 ASP C C 71 174.050 175.354 -1.304 1
1 817 . 17 1 1 A 71 71 ASP CA C 71 55.660 55.599 0.061 1
1 818 . 17 1 1 A 71 71 ASP CB C 71 39.540 39.638 -0.098 1
1 819 . 17 1 1 A 71 71 ASP N N 71 116.055 117.708 -1.653 1
1 820 . 17 1 1 A 72 72 VAL H H 72 7.723 8.010 -0.287 1
1 821 . 17 1 1 A 72 72 VAL HA H 72 3.285 4.010 -0.725 1
1 829 . 17 1 1 A 72 72 VAL C C 72 173.980 175.471 -1.491 1
1 830 . 17 1 1 A 72 72 VAL CA C 72 62.744 61.815 0.929 1
1 831 . 17 1 1 A 72 72 VAL CB C 72 30.727 31.318 -0.591 1
1 834 . 17 1 1 A 72 72 VAL N N 72 119.423 119.629 -0.206 1
1 835 . 17 1 1 A 73 73 GLY H H 73 7.722 8.723 -1.001 1
1 836 . 17 1 1 A 73 73 GLY HA2 H 73 3.590 4.161 -0.571 1
1 837 . 17 1 1 A 73 73 GLY HA3 H 73 4.416 4.181 0.235 1
1 838 . 17 1 1 A 73 73 GLY C C 73 172.450 173.095 -0.645 1
1 839 . 17 1 1 A 73 73 GLY CA C 73 42.820 43.616 -0.796 1
1 840 . 17 1 1 A 73 73 GLY N N 73 114.445 115.938 -1.493 1
1 841 . 17 1 1 A 74 74 SER H H 74 8.552 8.468 0.084 1
1 842 . 17 1 1 A 74 74 SER HA H 74 4.365 4.308 0.057 1
1 845 . 17 1 1 A 74 74 SER C C 74 177.240 175.101 2.139 1
1 846 . 17 1 1 A 74 74 SER CA C 74 60.420 59.733 0.687 1
1 847 . 17 1 1 A 74 74 SER CB C 74 63.350 62.691 0.659 1
1 848 . 17 1 1 A 74 74 SER N N 74 111.883 113.237 -1.354 1
1 849 . 17 1 1 A 75 75 GLY H H 75 9.718 9.152 0.566 1
1 850 . 17 1 1 A 75 75 GLY HA2 H 75 3.693 4.019 -0.326 1
1 851 . 17 1 1 A 75 75 GLY HA3 H 75 4.328 4.023 0.305 1
1 852 . 17 1 1 A 75 75 GLY C C 75 174.500 174.739 -0.239 1
1 853 . 17 1 1 A 75 75 GLY CA C 75 44.990 45.170 -0.180 1
1 854 . 17 1 1 A 75 75 GLY N N 75 115.986 113.522 2.464 1
1 855 . 17 1 1 A 76 76 ALA H H 76 7.939 7.522 0.417 1
1 856 . 17 1 1 A 76 76 ALA HA H 76 4.363 4.578 -0.215 1
1 860 . 17 1 1 A 76 76 ALA C C 76 176.170 176.191 -0.021 1
1 861 . 17 1 1 A 76 76 ALA CA C 76 53.372 52.088 1.284 1
1 862 . 17 1 1 A 76 76 ALA CB C 76 21.400 20.279 1.121 1
1 863 . 17 1 1 A 76 76 ALA N N 76 123.830 123.941 -0.111 1
1 864 . 17 1 1 A 77 77 LYS H H 77 8.435 8.834 -0.399 1
1 865 . 17 1 1 A 77 77 LYS HA H 77 5.195 4.984 0.211 1
1 874 . 17 1 1 A 77 77 LYS C C 77 175.450 175.220 0.230 1
1 875 . 17 1 1 A 77 77 LYS CA C 77 54.930 54.781 0.149 1
1 876 . 17 1 1 A 77 77 LYS CB C 77 33.520 35.512 -1.992 1
1 880 . 17 1 1 A 77 77 LYS N N 77 120.636 120.401 0.235 1
1 881 . 17 1 1 A 78 78 LEU H H 78 9.016 9.275 -0.259 1
1 882 . 17 1 1 A 78 78 LEU HA H 78 5.225 5.015 0.210 1
1 892 . 17 1 1 A 78 78 LEU C C 78 175.970 175.375 0.595 1
1 893 . 17 1 1 A 78 78 LEU CA C 78 53.700 53.775 -0.075 1
1 894 . 17 1 1 A 78 78 LEU CB C 78 45.250 43.660 1.590 1
1 898 . 17 1 1 A 78 78 LEU N N 78 123.751 125.300 -1.549 1
1 899 . 17 1 1 A 79 79 MET H H 79 8.983 9.009 -0.026 1
1 900 . 17 1 1 A 79 79 MET HA H 79 5.163 4.792 0.371 1
1 905 . 17 1 1 A 79 79 MET C C 79 173.970 175.018 -1.048 1
1 906 . 17 1 1 A 79 79 MET CA C 79 55.508 54.207 1.301 1
1 907 . 17 1 1 A 79 79 MET CB C 79 35.180 32.657 2.523 1
1 909 . 17 1 1 A 79 79 MET N N 79 120.990 124.870 -3.880 1
1 910 . 17 1 1 A 80 80 LEU H H 80 8.905 8.925 -0.020 1
1 911 . 17 1 1 A 80 80 LEU HA H 80 5.235 4.988 0.247 1
1 921 . 17 1 1 A 80 80 LEU C C 80 174.730 175.655 -0.925 1
1 922 . 17 1 1 A 80 80 LEU CA C 80 54.071 53.742 0.329 1
1 923 . 17 1 1 A 80 80 LEU CB C 80 43.540 43.215 0.325 1
1 927 . 17 1 1 A 81 81 MET H H 81 9.229 8.655 0.574 1
1 928 . 17 1 1 A 81 81 MET HA H 81 4.960 4.669 0.291 1
1 936 . 17 1 1 A 81 81 MET C C 81 174.450 174.823 -0.373 1
1 937 . 17 1 1 A 81 81 MET CA C 81 53.830 54.596 -0.766 1
1 938 . 17 1 1 A 81 81 MET CB C 81 34.810 31.121 3.689 1
1 941 . 17 1 1 A 81 81 MET N N 81 125.712 127.618 -1.906 1
1 942 . 17 1 1 A 82 82 ALA H H 82 8.891 7.757 1.134 1
1 943 . 17 1 1 A 82 82 ALA HA H 82 5.043 5.068 -0.025 1
1 947 . 17 1 1 A 82 82 ALA C C 82 177.470 177.621 -0.151 1
1 948 . 17 1 1 A 82 82 ALA CA C 82 51.010 50.964 0.046 1
1 949 . 17 1 1 A 82 82 ALA CB C 82 21.124 22.461 -1.337 1
1 950 . 17 1 1 A 82 82 ALA N N 82 126.315 126.445 -0.130 1
1 951 . 17 1 1 A 83 83 SER H H 83 8.719 8.766 -0.047 1
1 952 . 17 1 1 A 83 83 SER HA H 83 4.497 4.471 0.026 1
1 955 . 17 1 1 A 83 83 SER C C 83 174.360 174.260 0.100 1
1 956 . 17 1 1 A 83 83 SER CA C 83 58.534 60.649 -2.115 1
1 957 . 17 1 1 A 83 83 SER CB C 83 64.140 63.324 0.816 1
1 958 . 17 1 1 A 83 83 SER N N 83 117.987 114.901 3.086 1
1 959 . 17 1 1 A 84 84 GLN H H 84 8.629 7.879 0.750 1
1 960 . 17 1 1 A 84 84 GLN HA H 84 4.449 4.215 0.234 1
1 967 . 17 1 1 A 84 84 GLN C C 84 175.370 175.356 0.014 1
1 968 . 17 1 1 A 84 84 GLN CA C 84 55.890 56.192 -0.302 1
1 969 . 17 1 1 A 84 84 GLN CB C 84 29.860 29.139 0.721 1
1 971 . 17 1 1 A 84 84 GLN N N 84 122.746 120.797 1.949 1
1 1 . 18 1 1 A 10 10 HIS HA H 10 4.506 5.225 -0.719 1
1 4 . 18 1 1 A 10 10 HIS C C 10 176.040 174.322 1.718 1
1 5 . 18 1 1 A 10 10 HIS CA C 10 55.850 55.030 0.820 1
1 6 . 18 1 1 A 10 10 HIS CB C 10 33.250 31.559 1.691 1
1 7 . 18 1 1 A 11 11 SER H H 11 8.462 8.969 -0.507 1
1 8 . 18 1 1 A 11 11 SER HA H 11 4.516 4.603 -0.087 1
1 10 . 18 1 1 A 11 11 SER C C 11 174.050 174.196 -0.146 1
1 11 . 18 1 1 A 11 11 SER CA C 11 59.054 57.511 1.543 1
1 12 . 18 1 1 A 11 11 SER CB C 11 63.850 63.245 0.605 1
1 13 . 18 1 1 A 11 11 SER N N 11 117.900 119.978 -2.078 1
1 14 . 18 1 1 A 12 12 THR H H 12 7.923 8.808 -0.885 1
1 15 . 18 1 1 A 12 12 THR HA H 12 4.581 5.499 -0.918 1
1 20 . 18 1 1 A 12 12 THR C C 12 174.140 173.770 0.370 1
1 21 . 18 1 1 A 12 12 THR CA C 12 61.245 59.649 1.596 1
1 22 . 18 1 1 A 12 12 THR CB C 12 71.940 71.455 0.485 1
1 24 . 18 1 1 A 12 12 THR N N 12 112.783 117.711 -4.928 1
1 25 . 18 1 1 A 13 13 ILE H H 13 9.201 9.358 -0.157 1
1 26 . 18 1 1 A 13 13 ILE HA H 13 4.532 4.832 -0.300 1
1 36 . 18 1 1 A 13 13 ILE C C 13 173.930 175.153 -1.223 1
1 37 . 18 1 1 A 13 13 ILE CA C 13 59.720 59.606 0.114 1
1 38 . 18 1 1 A 13 13 ILE CB C 13 41.597 40.009 1.588 1
1 42 . 18 1 1 A 13 13 ILE N N 13 117.602 121.299 -3.697 1
1 43 . 18 1 1 A 14 14 LYS H H 14 8.077 8.627 -0.550 1
1 44 . 18 1 1 A 14 14 LYS HA H 14 5.110 4.486 0.624 1
1 53 . 18 1 1 A 14 14 LYS C C 14 175.360 175.378 -0.018 1
1 54 . 18 1 1 A 14 14 LYS CA C 14 55.200 56.257 -1.057 1
1 55 . 18 1 1 A 14 14 LYS CB C 14 33.130 32.418 0.712 1
1 59 . 18 1 1 A 14 14 LYS N N 14 122.699 126.172 -3.473 1
1 60 . 18 1 1 A 15 15 LEU H H 15 8.953 9.019 -0.066 1
1 61 . 18 1 1 A 15 15 LEU HA H 15 5.025 5.025 0.000 1
1 71 . 18 1 1 A 15 15 LEU C C 15 176.400 176.230 0.170 1
1 72 . 18 1 1 A 15 15 LEU CA C 15 53.620 53.305 0.315 1
1 73 . 18 1 1 A 15 15 LEU CB C 15 45.380 44.336 1.044 1
1 77 . 18 1 1 A 15 15 LEU N N 15 121.650 126.722 -5.072 1
1 78 . 18 1 1 A 16 16 THR H H 16 8.412 8.635 -0.223 1
1 79 . 18 1 1 A 16 16 THR HA H 16 5.075 4.919 0.156 1
1 84 . 18 1 1 A 16 16 THR C C 16 173.070 172.922 0.148 1
1 85 . 18 1 1 A 16 16 THR CA C 16 61.380 61.805 -0.425 1
1 86 . 18 1 1 A 16 16 THR CB C 16 71.700 70.238 1.462 1
1 88 . 18 1 1 A 16 16 THR N N 16 114.701 116.989 -2.288 1
1 89 . 18 1 1 A 17 17 VAL H H 17 9.083 8.983 0.100 1
1 90 . 18 1 1 A 17 17 VAL HA H 17 4.600 4.858 -0.258 1
1 98 . 18 1 1 A 17 17 VAL C C 17 174.570 173.805 0.765 1
1 99 . 18 1 1 A 17 17 VAL CA C 17 61.005 60.277 0.728 1
1 100 . 18 1 1 A 17 17 VAL CB C 17 33.600 33.264 0.336 1
1 103 . 18 1 1 A 17 17 VAL N N 17 125.565 127.763 -2.198 1
1 104 . 18 1 1 A 18 18 LYS H H 18 9.183 9.065 0.118 1
1 105 . 18 1 1 A 18 18 LYS HA H 18 5.156 5.219 -0.063 1
1 114 . 18 1 1 A 18 18 LYS C C 18 175.150 175.529 -0.379 1
1 115 . 18 1 1 A 18 18 LYS CA C 18 54.630 55.026 -0.396 1
1 116 . 18 1 1 A 18 18 LYS CB C 18 33.217 33.363 -0.146 1
1 120 . 18 1 1 A 18 18 LYS N N 18 129.200 128.246 0.954 1
1 121 . 18 1 1 A 19 19 PHE H H 19 8.927 9.127 -0.200 1
1 122 . 18 1 1 A 19 19 PHE HA H 19 5.377 4.710 0.667 1
1 129 . 18 1 1 A 19 19 PHE C C 19 175.850 175.997 -0.147 1
1 130 . 18 1 1 A 19 19 PHE CA C 19 55.330 56.973 -1.643 1
1 131 . 18 1 1 A 19 19 PHE CB C 19 41.690 37.472 4.218 1
1 136 . 18 1 1 A 19 19 PHE N N 19 126.659 124.553 2.106 1
1 139 . 18 1 1 A 20 20 GLY H H 20 9.275 8.469 0.806 1
1 140 . 18 1 1 A 20 20 GLY HA2 H 20 3.580 3.879 -0.299 1
1 141 . 18 1 1 A 20 20 GLY HA3 H 20 3.578 3.906 -0.328 1
1 142 . 18 1 1 A 20 20 GLY C C 20 175.090 175.124 -0.034 1
1 143 . 18 1 1 A 20 20 GLY CA C 20 47.070 47.280 -0.210 1
1 144 . 18 1 1 A 20 20 GLY N N 20 119.629 114.748 4.881 1
1 145 . 18 1 1 A 21 21 GLY H H 21 8.819 8.849 -0.030 1
1 146 . 18 1 1 A 21 21 GLY HA2 H 21 3.942 4.005 -0.063 1
1 147 . 18 1 1 A 21 21 GLY HA3 H 21 3.942 4.006 -0.064 1
1 148 . 18 1 1 A 21 21 GLY C C 21 173.890 174.391 -0.501 1
1 149 . 18 1 1 A 21 21 GLY CA C 21 45.290 45.640 -0.350 1
1 150 . 18 1 1 A 21 21 GLY N N 21 111.500 114.206 -2.706 1
1 151 . 18 1 1 A 22 22 LYS H H 22 7.975 7.604 0.371 1
1 152 . 18 1 1 A 22 22 LYS HA H 22 4.616 4.402 0.214 1
1 161 . 18 1 1 A 22 22 LYS C C 22 175.450 175.753 -0.303 1
1 162 . 18 1 1 A 22 22 LYS CA C 22 55.514 55.461 0.053 1
1 163 . 18 1 1 A 22 22 LYS CB C 22 34.790 32.459 2.331 1
1 167 . 18 1 1 A 22 22 LYS N N 22 121.832 120.535 1.297 1
1 168 . 18 1 1 A 23 23 SER H H 23 8.722 8.653 0.069 1
1 169 . 18 1 1 A 23 23 SER HA H 23 4.841 4.883 -0.042 1
1 172 . 18 1 1 A 23 23 SER C C 23 173.910 173.375 0.535 1
1 173 . 18 1 1 A 23 23 SER CA C 23 58.344 57.745 0.599 1
1 174 . 18 1 1 A 23 23 SER CB C 23 64.237 63.420 0.817 1
1 175 . 18 1 1 A 23 23 SER N N 23 119.004 120.466 -1.462 1
1 176 . 18 1 1 A 24 24 ILE H H 24 9.444 9.156 0.288 1
1 177 . 18 1 1 A 24 24 ILE HA H 24 4.502 4.645 -0.143 1
1 187 . 18 1 1 A 24 24 ILE C C 24 173.590 175.100 -1.510 1
1 188 . 18 1 1 A 24 24 ILE CA C 24 59.145 57.987 1.158 1
1 189 . 18 1 1 A 24 24 ILE CB C 24 40.620 38.658 1.962 1
1 193 . 18 1 1 A 24 24 ILE N N 24 129.205 126.996 2.209 1
1 194 . 18 1 1 A 25 25 PRO HA H 25 5.179 4.998 0.181 1
1 201 . 18 1 1 A 25 25 PRO C C 25 176.750 175.873 0.877 1
1 202 . 18 1 1 A 25 25 PRO CA C 25 61.740 62.105 -0.365 1
1 203 . 18 1 1 A 25 25 PRO CB C 25 32.010 31.674 0.336 1
1 206 . 18 1 1 A 26 26 LEU H H 26 8.720 8.881 -0.161 1
1 207 . 18 1 1 A 26 26 LEU HA H 26 4.731 4.877 -0.146 1
1 217 . 18 1 1 A 26 26 LEU C C 26 175.450 175.451 -0.001 1
1 218 . 18 1 1 A 26 26 LEU CA C 26 54.731 53.340 1.391 1
1 219 . 18 1 1 A 26 26 LEU CB C 26 47.766 45.961 1.805 1
1 223 . 18 1 1 A 26 26 LEU N N 26 122.986 125.376 -2.390 1
1 224 . 18 1 1 A 27 27 SER H H 27 8.404 8.920 -0.516 1
1 225 . 18 1 1 A 27 27 SER HA H 27 5.504 5.716 -0.212 1
1 228 . 18 1 1 A 27 27 SER C C 27 174.498 173.584 0.914 1
1 229 . 18 1 1 A 27 27 SER CA C 27 57.000 56.725 0.275 1
1 230 . 18 1 1 A 27 27 SER CB C 27 63.850 64.343 -0.493 1
1 231 . 18 1 1 A 27 27 SER N N 27 118.151 118.589 -0.438 1
1 232 . 18 1 1 A 28 28 VAL H H 28 8.743 8.437 0.306 1
1 233 . 18 1 1 A 28 28 VAL HA H 28 4.792 4.926 -0.134 1
1 241 . 18 1 1 A 28 28 VAL C C 28 174.250 174.537 -0.287 1
1 242 . 18 1 1 A 28 28 VAL CA C 28 58.792 59.409 -0.617 1
1 243 . 18 1 1 A 28 28 VAL CB C 28 36.600 34.766 1.834 1
1 246 . 18 1 1 A 28 28 VAL N N 28 118.097 121.129 -3.032 1
1 247 . 18 1 1 A 29 29 SER H H 29 8.694 8.487 0.207 1
1 248 . 18 1 1 A 29 29 SER HA H 29 4.960 4.905 0.055 1
1 251 . 18 1 1 A 29 29 SER C C 29 175.159 174.399 0.760 1
1 252 . 18 1 1 A 29 29 SER CA C 29 55.925 55.589 0.336 1
1 253 . 18 1 1 A 29 29 SER CB C 29 64.080 63.747 0.333 1
1 254 . 18 1 1 A 29 29 SER N N 29 116.965 118.285 -1.320 1
1 255 . 18 1 1 A 30 30 PRO HA H 30 4.277 4.450 -0.173 1
1 262 . 18 1 1 A 30 30 PRO C C 30 175.705 177.613 -1.908 1
1 263 . 18 1 1 A 30 30 PRO CA C 30 64.825 64.626 0.199 1
1 264 . 18 1 1 A 30 30 PRO CB C 30 32.074 31.799 0.275 1
1 267 . 18 1 1 A 31 31 ASP H H 31 7.818 8.385 -0.567 1
1 268 . 18 1 1 A 31 31 ASP HA H 31 4.725 4.692 0.033 1
1 271 . 18 1 1 A 31 31 ASP C C 31 175.040 176.280 -1.240 1
1 272 . 18 1 1 A 31 31 ASP CA C 31 54.160 54.319 -0.159 1
1 273 . 18 1 1 A 31 31 ASP CB C 31 41.590 41.338 0.252 1
1 274 . 18 1 1 A 31 31 ASP N N 31 114.503 117.081 -2.578 1
1 275 . 18 1 1 A 32 32 CYS H H 32 7.657 7.515 0.142 1
1 276 . 18 1 1 A 32 32 CYS HA H 32 4.483 4.694 -0.211 1
1 279 . 18 1 1 A 32 32 CYS C C 32 174.805 175.110 -0.305 1
1 280 . 18 1 1 A 32 32 CYS CA C 32 59.510 58.773 0.737 1
1 281 . 18 1 1 A 32 32 CYS CB C 32 28.010 28.755 -0.745 1
1 282 . 18 1 1 A 32 32 CYS N N 32 119.852 119.089 0.763 1
1 283 . 18 1 1 A 33 33 THR H H 33 8.992 8.782 0.210 1
1 284 . 18 1 1 A 33 33 THR HA H 33 4.861 4.791 0.070 1
1 289 . 18 1 1 A 33 33 THR C C 33 176.350 176.290 0.060 1
1 290 . 18 1 1 A 33 33 THR CA C 33 61.165 60.896 0.269 1
1 291 . 18 1 1 A 33 33 THR CB C 33 71.968 70.982 0.986 1
1 293 . 18 1 1 A 33 33 THR N N 33 115.278 114.477 0.801 1
1 294 . 18 1 1 A 34 34 VAL H H 34 8.558 8.895 -0.337 1
1 295 . 18 1 1 A 34 34 VAL HA H 34 3.384 3.862 -0.478 1
1 303 . 18 1 1 A 34 34 VAL C C 34 177.880 177.556 0.324 1
1 304 . 18 1 1 A 34 34 VAL CA C 34 67.050 64.807 2.243 1
1 305 . 18 1 1 A 34 34 VAL CB C 34 31.303 31.580 -0.277 1
1 308 . 18 1 1 A 34 34 VAL N N 34 123.274 120.052 3.222 1
1 309 . 18 1 1 A 35 35 LYS H H 35 8.316 7.941 0.375 1
1 310 . 18 1 1 A 35 35 LYS HA H 35 3.758 3.986 -0.228 1
1 319 . 18 1 1 A 35 35 LYS C C 35 178.180 178.481 -0.301 1
1 320 . 18 1 1 A 35 35 LYS CA C 35 60.812 59.463 1.349 1
1 321 . 18 1 1 A 35 35 LYS CB C 35 32.610 32.103 0.507 1
1 325 . 18 1 1 A 35 35 LYS N N 35 119.813 121.327 -1.514 1
1 326 . 18 1 1 A 36 36 ASP H H 36 7.959 8.200 -0.241 1
1 327 . 18 1 1 A 36 36 ASP HA H 36 4.414 4.312 0.102 1
1 330 . 18 1 1 A 36 36 ASP C C 36 179.395 178.579 0.816 1
1 331 . 18 1 1 A 36 36 ASP CA C 36 57.360 57.431 -0.071 1
1 332 . 18 1 1 A 36 36 ASP CB C 36 40.350 42.132 -1.782 1
1 333 . 18 1 1 A 36 36 ASP N N 36 120.728 119.884 0.844 1
1 334 . 18 1 1 A 37 37 LEU H H 37 8.147 8.127 0.020 1
1 335 . 18 1 1 A 37 37 LEU HA H 37 3.976 3.885 0.091 1
1 345 . 18 1 1 A 37 37 LEU C C 37 178.630 179.201 -0.571 1
1 346 . 18 1 1 A 37 37 LEU CA C 37 58.210 58.045 0.165 1
1 347 . 18 1 1 A 37 37 LEU CB C 37 41.470 41.606 -0.136 1
1 351 . 18 1 1 A 37 37 LEU N N 37 123.841 119.472 4.369 1
1 352 . 18 1 1 A 38 38 LYS H H 38 8.308 7.836 0.472 1
1 353 . 18 1 1 A 38 38 LYS HA H 38 4.505 4.208 0.297 1
1 362 . 18 1 1 A 38 38 LYS C C 38 180.780 179.026 1.754 1
1 363 . 18 1 1 A 38 38 LYS CA C 38 59.910 59.031 0.879 1
1 364 . 18 1 1 A 38 38 LYS CB C 38 34.270 31.955 2.315 1
1 368 . 18 1 1 A 38 38 LYS N N 38 117.736 118.170 -0.434 1
1 369 . 18 1 1 A 39 39 SER H H 39 7.952 7.455 0.497 1
1 370 . 18 1 1 A 39 39 SER HA H 39 4.230 4.202 0.028 1
1 373 . 18 1 1 A 39 39 SER C C 39 177.240 176.996 0.244 1
1 374 . 18 1 1 A 39 39 SER CA C 39 62.440 61.300 1.140 1
1 375 . 18 1 1 A 39 39 SER CB C 39 62.670 63.124 -0.454 1
1 376 . 18 1 1 A 39 39 SER N N 39 115.100 115.288 -0.188 1
1 377 . 18 1 1 A 40 40 GLN H H 40 7.899 7.309 0.590 1
1 378 . 18 1 1 A 40 40 GLN HA H 40 4.125 4.245 -0.120 1
1 385 . 18 1 1 A 40 40 GLN C C 40 178.330 178.732 -0.402 1
1 386 . 18 1 1 A 40 40 GLN CA C 40 59.045 58.443 0.602 1
1 387 . 18 1 1 A 40 40 GLN CB C 40 28.893 28.589 0.304 1
1 389 . 18 1 1 A 40 40 GLN N N 40 121.600 121.267 0.333 1
1 391 . 18 1 1 A 41 41 LEU H H 41 8.010 8.619 -0.609 1
1 392 . 18 1 1 A 41 41 LEU HA H 41 4.130 4.131 -0.001 1
1 402 . 18 1 1 A 41 41 LEU C C 41 179.980 179.191 0.789 1
1 403 . 18 1 1 A 41 41 LEU CA C 41 56.472 57.035 -0.563 1
1 404 . 18 1 1 A 41 41 LEU CB C 41 42.660 41.130 1.530 1
1 408 . 18 1 1 A 41 41 LEU N N 41 116.657 119.703 -3.046 1
1 409 . 18 1 1 A 42 42 GLN H H 42 7.903 7.994 -0.091 1
1 410 . 18 1 1 A 42 42 GLN HA H 42 4.180 4.349 -0.169 1
1 417 . 18 1 1 A 42 42 GLN C C 42 174.350 174.653 -0.303 1
1 418 . 18 1 1 A 42 42 GLN CA C 42 61.300 60.996 0.304 1
1 419 . 18 1 1 A 42 42 GLN CB C 42 25.250 26.281 -1.031 1
1 421 . 18 1 1 A 42 42 GLN N N 42 125.104 120.648 4.456 1
1 423 . 18 1 1 A 43 43 PRO HA H 43 4.410 4.408 0.002 1
1 430 . 18 1 1 A 43 43 PRO C C 43 177.270 178.836 -1.566 1
1 431 . 18 1 1 A 43 43 PRO CA C 43 65.130 64.879 0.251 1
1 432 . 18 1 1 A 43 43 PRO CB C 43 31.208 31.123 0.085 1
1 435 . 18 1 1 A 44 44 ILE H H 44 6.568 7.513 -0.945 1
1 436 . 18 1 1 A 44 44 ILE HA H 44 3.959 3.873 0.086 1
1 446 . 18 1 1 A 44 44 ILE C C 44 177.060 177.579 -0.519 1
1 447 . 18 1 1 A 44 44 ILE CA C 44 63.670 64.161 -0.491 1
1 448 . 18 1 1 A 44 44 ILE CB C 44 40.270 38.268 2.002 1
1 452 . 18 1 1 A 44 44 ILE N N 44 114.765 116.772 -2.007 1
1 453 . 18 1 1 A 45 45 THR H H 45 7.826 8.156 -0.330 1
1 454 . 18 1 1 A 45 45 THR HA H 45 4.202 4.246 -0.044 1
1 459 . 18 1 1 A 45 45 THR C C 45 174.990 173.758 1.232 1
1 460 . 18 1 1 A 45 45 THR CA C 45 62.696 62.152 0.544 1
1 461 . 18 1 1 A 45 45 THR CB C 45 71.682 69.263 2.419 1
1 463 . 18 1 1 A 45 45 THR N N 45 107.323 111.502 -4.179 1
1 464 . 18 1 1 A 46 46 ASN H H 46 8.660 7.885 0.775 1
1 465 . 18 1 1 A 46 46 ASN HA H 46 4.381 4.686 -0.305 1
1 470 . 18 1 1 A 46 46 ASN C C 46 173.900 173.694 0.206 1
1 471 . 18 1 1 A 46 46 ASN CA C 46 54.890 54.342 0.548 1
1 472 . 18 1 1 A 46 46 ASN CB C 46 38.207 36.585 1.622 1
1 473 . 18 1 1 A 46 46 ASN N N 46 117.586 117.108 0.478 1
1 475 . 18 1 1 A 47 47 VAL H H 47 7.517 7.802 -0.285 1
1 476 . 18 1 1 A 47 47 VAL HA H 47 4.134 4.784 -0.650 1
1 484 . 18 1 1 A 47 47 VAL C C 47 176.140 174.143 1.997 1
1 485 . 18 1 1 A 47 47 VAL CA C 47 61.763 60.289 1.474 1
1 486 . 18 1 1 A 47 47 VAL CB C 47 32.925 35.450 -2.525 1
1 489 . 18 1 1 A 47 47 VAL N N 47 119.901 117.553 2.348 1
1 490 . 18 1 1 A 48 48 LEU H H 48 8.650 8.641 0.009 1
1 491 . 18 1 1 A 48 48 LEU HA H 48 4.194 4.523 -0.329 1
1 501 . 18 1 1 A 48 48 LEU C C 48 177.110 176.996 0.114 1
1 502 . 18 1 1 A 48 48 LEU CA C 48 54.491 53.269 1.222 1
1 503 . 18 1 1 A 48 48 LEU CB C 48 41.171 41.630 -0.459 1
1 507 . 18 1 1 A 48 48 LEU N N 48 128.467 129.496 -1.029 1
1 508 . 18 1 1 A 49 49 PRO HA H 49 3.923 4.225 -0.302 1
1 515 . 18 1 1 A 49 49 PRO C C 49 178.430 177.952 0.478 1
1 516 . 18 1 1 A 49 49 PRO CA C 49 67.000 65.226 1.774 1
1 517 . 18 1 1 A 49 49 PRO CB C 49 32.456 31.938 0.518 1
1 520 . 18 1 1 A 50 50 ARG H H 50 8.331 8.275 0.056 1
1 521 . 18 1 1 A 50 50 ARG HA H 50 4.239 4.064 0.175 1
1 528 . 18 1 1 A 50 50 ARG C C 50 176.940 178.147 -1.207 1
1 529 . 18 1 1 A 50 50 ARG CA C 50 58.130 59.397 -1.267 1
1 530 . 18 1 1 A 50 50 ARG CB C 50 29.200 29.938 -0.738 1
1 533 . 18 1 1 A 50 50 ARG N N 50 114.500 118.465 -3.965 1
1 534 . 18 1 1 A 51 51 GLY H H 51 8.199 8.067 0.132 1
1 535 . 18 1 1 A 51 51 GLY HA2 H 51 3.605 3.991 -0.386 1
1 536 . 18 1 1 A 51 51 GLY HA3 H 51 4.335 4.000 0.335 1
1 537 . 18 1 1 A 51 51 GLY C C 51 173.340 174.204 -0.864 1
1 538 . 18 1 1 A 51 51 GLY CA C 51 44.750 45.296 -0.546 1
1 539 . 18 1 1 A 51 51 GLY N N 51 107.942 106.546 1.396 1
1 540 . 18 1 1 A 52 52 GLN H H 52 7.475 7.422 0.053 1
1 541 . 18 1 1 A 52 52 GLN HA H 52 4.315 4.430 -0.115 1
1 548 . 18 1 1 A 52 52 GLN C C 52 175.770 174.690 1.080 1
1 549 . 18 1 1 A 52 52 GLN CA C 52 56.023 54.755 1.268 1
1 550 . 18 1 1 A 52 52 GLN CB C 52 31.494 27.846 3.648 1
1 552 . 18 1 1 A 52 52 GLN N N 52 119.769 119.692 0.077 1
1 554 . 18 1 1 A 53 53 LYS H H 53 8.586 8.149 0.437 1
1 555 . 18 1 1 A 53 53 LYS HA H 53 4.500 4.632 -0.132 1
1 564 . 18 1 1 A 53 53 LYS C C 53 174.080 175.385 -1.305 1
1 565 . 18 1 1 A 53 53 LYS CA C 53 55.950 55.703 0.247 1
1 566 . 18 1 1 A 53 53 LYS CB C 53 34.690 32.111 2.579 1
1 570 . 18 1 1 A 53 53 LYS N N 53 123.759 124.701 -0.942 1
1 571 . 18 1 1 A 54 54 LEU H H 54 8.900 8.777 0.123 1
1 572 . 18 1 1 A 54 54 LEU HA H 54 5.271 4.573 0.698 1
1 582 . 18 1 1 A 54 54 LEU C C 54 174.940 175.819 -0.879 1
1 583 . 18 1 1 A 54 54 LEU CA C 54 53.250 54.396 -1.146 1
1 584 . 18 1 1 A 54 54 LEU CB C 54 45.042 41.179 3.863 1
1 588 . 18 1 1 A 54 54 LEU N N 54 126.200 126.016 0.184 1
1 589 . 18 1 1 A 55 55 ILE H H 55 9.330 8.775 0.555 1
1 590 . 18 1 1 A 55 55 ILE HA H 55 4.886 4.990 -0.104 1
1 600 . 18 1 1 A 55 55 ILE C C 55 175.623 173.969 1.654 1
1 601 . 18 1 1 A 55 55 ILE CA C 55 59.402 60.034 -0.632 1
1 602 . 18 1 1 A 55 55 ILE CB C 55 40.270 40.508 -0.238 1
1 606 . 18 1 1 A 55 55 ILE N N 55 123.589 125.218 -1.629 1
1 607 . 18 1 1 A 56 56 PHE H H 56 9.241 9.347 -0.106 1
1 608 . 18 1 1 A 56 56 PHE HA H 56 5.212 4.811 0.401 1
1 615 . 18 1 1 A 56 56 PHE C C 56 174.600 174.864 -0.264 1
1 616 . 18 1 1 A 56 56 PHE CA C 56 55.936 57.408 -1.472 1
1 617 . 18 1 1 A 56 56 PHE CB C 56 42.830 41.544 1.286 1
1 622 . 18 1 1 A 56 56 PHE N N 56 127.423 127.775 -0.352 1
1 625 . 18 1 1 A 57 57 LYS H H 57 9.307 9.406 -0.099 1
1 626 . 18 1 1 A 57 57 LYS HA H 57 3.630 3.731 -0.101 1
1 635 . 18 1 1 A 57 57 LYS C C 57 176.620 176.412 0.208 1
1 636 . 18 1 1 A 57 57 LYS CA C 57 57.495 57.176 0.319 1
1 637 . 18 1 1 A 57 57 LYS CB C 57 30.100 30.000 0.100 1
1 641 . 18 1 1 A 57 57 LYS N N 57 128.612 128.278 0.334 1
1 642 . 18 1 1 A 58 58 GLY H H 58 8.288 8.303 -0.015 1
1 643 . 18 1 1 A 58 58 GLY HA2 H 58 3.487 4.032 -0.545 1
1 644 . 18 1 1 A 58 58 GLY HA3 H 58 4.098 4.044 0.054 1
1 645 . 18 1 1 A 58 58 GLY C C 58 173.568 173.734 -0.166 1
1 646 . 18 1 1 A 58 58 GLY CA C 58 45.475 44.986 0.489 1
1 647 . 18 1 1 A 58 58 GLY N N 58 102.757 105.965 -3.208 1
1 648 . 18 1 1 A 59 59 LYS H H 59 7.900 7.850 0.050 1
1 649 . 18 1 1 A 59 59 LYS HA H 59 4.667 4.642 0.025 1
1 658 . 18 1 1 A 59 59 LYS C C 59 174.830 175.865 -1.035 1
1 659 . 18 1 1 A 59 59 LYS CA C 59 55.222 54.738 0.484 1
1 660 . 18 1 1 A 59 59 LYS CB C 59 35.010 34.137 0.873 1
1 664 . 18 1 1 A 59 59 LYS N N 59 121.753 121.895 -0.142 1
1 665 . 18 1 1 A 60 60 VAL H H 60 8.587 8.633 -0.046 1
1 666 . 18 1 1 A 60 60 VAL HA H 60 4.209 4.261 -0.052 1
1 674 . 18 1 1 A 60 60 VAL C C 60 177.380 175.965 1.415 1
1 675 . 18 1 1 A 60 60 VAL CA C 60 63.080 62.871 0.209 1
1 676 . 18 1 1 A 60 60 VAL CB C 60 32.101 31.908 0.193 1
1 679 . 18 1 1 A 60 60 VAL N N 60 123.795 126.278 -2.483 1
1 680 . 18 1 1 A 61 61 LEU H H 61 8.876 8.472 0.404 1
1 681 . 18 1 1 A 61 61 LEU HA H 61 4.430 4.518 -0.088 1
1 691 . 18 1 1 A 61 61 LEU C C 61 176.660 176.388 0.272 1
1 692 . 18 1 1 A 61 61 LEU CA C 61 54.760 53.878 0.882 1
1 693 . 18 1 1 A 61 61 LEU CB C 61 43.060 41.898 1.162 1
1 697 . 18 1 1 A 61 61 LEU N N 61 129.083 129.298 -0.215 1
1 698 . 18 1 1 A 62 62 VAL H H 62 8.759 8.806 -0.047 1
1 699 . 18 1 1 A 62 62 VAL HA H 62 3.989 4.110 -0.121 1
1 707 . 18 1 1 A 62 62 VAL C C 62 178.390 177.262 1.128 1
1 708 . 18 1 1 A 62 62 VAL CA C 62 63.077 62.423 0.654 1
1 709 . 18 1 1 A 62 62 VAL CB C 62 32.440 32.398 0.042 1
1 712 . 18 1 1 A 62 62 VAL N N 62 124.193 125.376 -1.183 1
1 713 . 18 1 1 A 63 63 GLU H H 63 8.806 8.752 0.054 1
1 714 . 18 1 1 A 63 63 GLU HA H 63 3.757 3.995 -0.238 1
1 719 . 18 1 1 A 63 63 GLU C C 63 176.500 178.450 -1.950 1
1 720 . 18 1 1 A 63 63 GLU CA C 63 60.509 59.646 0.863 1
1 721 . 18 1 1 A 63 63 GLU CB C 63 30.580 29.284 1.296 1
1 723 . 18 1 1 A 63 63 GLU N N 63 125.296 129.298 -4.002 1
1 724 . 18 1 1 A 64 64 THR H H 64 7.100 7.586 -0.486 1
1 725 . 18 1 1 A 64 64 THR HA H 64 4.279 4.231 0.048 1
1 730 . 18 1 1 A 64 64 THR C C 64 175.290 174.938 0.352 1
1 731 . 18 1 1 A 64 64 THR CA C 64 61.466 63.157 -1.691 1
1 732 . 18 1 1 A 64 64 THR CB C 64 68.840 69.187 -0.347 1
1 734 . 18 1 1 A 64 64 THR N N 64 102.822 111.781 -8.959 1
1 735 . 18 1 1 A 65 65 SER H H 65 7.749 7.730 0.019 1
1 736 . 18 1 1 A 65 65 SER HA H 65 4.676 4.573 0.103 1
1 739 . 18 1 1 A 65 65 SER C C 65 174.300 174.293 0.007 1
1 740 . 18 1 1 A 65 65 SER CA C 65 58.060 57.750 0.310 1
1 741 . 18 1 1 A 65 65 SER CB C 65 64.950 64.576 0.374 1
1 742 . 18 1 1 A 65 65 SER N N 65 117.966 118.516 -0.550 1
1 743 . 18 1 1 A 66 66 THR H H 66 8.512 8.699 -0.187 1
1 744 . 18 1 1 A 66 66 THR HA H 66 5.032 4.821 0.211 1
1 750 . 18 1 1 A 66 66 THR C C 66 177.300 176.384 0.916 1
1 751 . 18 1 1 A 66 66 THR CA C 66 60.200 60.044 0.156 1
1 752 . 18 1 1 A 66 66 THR CB C 66 71.550 71.753 -0.203 1
1 754 . 18 1 1 A 66 66 THR N N 66 111.490 115.001 -3.511 1
1 755 . 18 1 1 A 67 67 LEU H H 67 8.451 8.521 -0.070 1
1 756 . 18 1 1 A 67 67 LEU HA H 67 3.753 3.911 -0.158 1
1 766 . 18 1 1 A 67 67 LEU C C 67 179.170 179.062 0.108 1
1 767 . 18 1 1 A 67 67 LEU CA C 67 59.234 58.362 0.872 1
1 768 . 18 1 1 A 67 67 LEU CB C 67 38.897 41.742 -2.845 1
1 772 . 18 1 1 A 67 67 LEU N N 67 122.302 122.745 -0.443 1
1 773 . 18 1 1 A 68 68 LYS H H 68 8.313 7.998 0.315 1
1 774 . 18 1 1 A 68 68 LYS HA H 68 4.090 3.863 0.227 1
1 783 . 18 1 1 A 68 68 LYS C C 68 180.950 178.683 2.267 1
1 784 . 18 1 1 A 68 68 LYS CA C 68 59.620 59.613 0.007 1
1 785 . 18 1 1 A 68 68 LYS CB C 68 32.490 31.974 0.516 1
1 789 . 18 1 1 A 68 68 LYS N N 68 120.066 119.551 0.515 1
1 790 . 18 1 1 A 69 69 GLN H H 69 8.019 7.848 0.171 1
1 791 . 18 1 1 A 69 69 GLN HA H 69 4.086 4.107 -0.021 1
1 798 . 18 1 1 A 69 69 GLN C C 69 177.840 177.079 0.761 1
1 799 . 18 1 1 A 69 69 GLN CA C 69 58.260 58.868 -0.608 1
1 800 . 18 1 1 A 69 69 GLN CB C 69 28.580 28.686 -0.106 1
1 802 . 18 1 1 A 69 69 GLN N N 69 119.594 118.951 0.643 1
1 804 . 18 1 1 A 70 70 SER H H 70 7.544 7.711 -0.167 1
1 805 . 18 1 1 A 70 70 SER HA H 70 4.517 4.630 -0.113 1
1 808 . 18 1 1 A 70 70 SER C C 70 171.870 173.614 -1.744 1
1 809 . 18 1 1 A 70 70 SER CA C 70 58.920 57.596 1.324 1
1 810 . 18 1 1 A 70 70 SER CB C 70 64.446 63.080 1.366 1
1 811 . 18 1 1 A 70 70 SER N N 70 114.028 112.230 1.798 1
1 812 . 18 1 1 A 71 71 ASP H H 71 7.882 8.067 -0.185 1
1 813 . 18 1 1 A 71 71 ASP HA H 71 4.278 4.371 -0.093 1
1 816 . 18 1 1 A 71 71 ASP C C 71 174.050 175.101 -1.051 1
1 817 . 18 1 1 A 71 71 ASP CA C 71 55.660 55.728 -0.068 1
1 818 . 18 1 1 A 71 71 ASP CB C 71 39.540 39.568 -0.028 1
1 819 . 18 1 1 A 71 71 ASP N N 71 116.055 117.421 -1.366 1
1 820 . 18 1 1 A 72 72 VAL H H 72 7.723 7.885 -0.162 1
1 821 . 18 1 1 A 72 72 VAL HA H 72 3.285 3.725 -0.440 1
1 829 . 18 1 1 A 72 72 VAL C C 72 173.980 175.148 -1.168 1
1 830 . 18 1 1 A 72 72 VAL CA C 72 62.744 61.811 0.933 1
1 831 . 18 1 1 A 72 72 VAL CB C 72 30.727 30.284 0.443 1
1 834 . 18 1 1 A 72 72 VAL N N 72 119.423 119.918 -0.495 1
1 835 . 18 1 1 A 73 73 GLY H H 73 7.722 8.659 -0.937 1
1 836 . 18 1 1 A 73 73 GLY HA2 H 73 3.590 4.198 -0.608 1
1 837 . 18 1 1 A 73 73 GLY HA3 H 73 4.416 4.217 0.199 1
1 838 . 18 1 1 A 73 73 GLY C C 73 172.450 173.417 -0.967 1
1 839 . 18 1 1 A 73 73 GLY CA C 73 42.820 43.845 -1.025 1
1 840 . 18 1 1 A 73 73 GLY N N 73 114.445 115.675 -1.230 1
1 841 . 18 1 1 A 74 74 SER H H 74 8.552 8.527 0.025 1
1 842 . 18 1 1 A 74 74 SER HA H 74 4.365 4.291 0.074 1
1 845 . 18 1 1 A 74 74 SER C C 74 177.240 175.094 2.146 1
1 846 . 18 1 1 A 74 74 SER CA C 74 60.420 59.810 0.610 1
1 847 . 18 1 1 A 74 74 SER CB C 74 63.350 62.623 0.727 1
1 848 . 18 1 1 A 74 74 SER N N 74 111.883 113.965 -2.082 1
1 849 . 18 1 1 A 75 75 GLY H H 75 9.718 9.011 0.707 1
1 850 . 18 1 1 A 75 75 GLY HA2 H 75 3.693 4.032 -0.339 1
1 851 . 18 1 1 A 75 75 GLY HA3 H 75 4.328 4.034 0.294 1
1 852 . 18 1 1 A 75 75 GLY C C 75 174.500 174.590 -0.090 1
1 853 . 18 1 1 A 75 75 GLY CA C 75 44.990 45.138 -0.148 1
1 854 . 18 1 1 A 75 75 GLY N N 75 115.986 113.774 2.212 1
1 855 . 18 1 1 A 76 76 ALA H H 76 7.939 8.111 -0.172 1
1 856 . 18 1 1 A 76 76 ALA HA H 76 4.363 4.414 -0.051 1
1 860 . 18 1 1 A 76 76 ALA C C 76 176.170 176.835 -0.665 1
1 861 . 18 1 1 A 76 76 ALA CA C 76 53.372 52.503 0.869 1
1 862 . 18 1 1 A 76 76 ALA CB C 76 21.400 19.703 1.697 1
1 863 . 18 1 1 A 76 76 ALA N N 76 123.830 123.076 0.754 1
1 864 . 18 1 1 A 77 77 LYS H H 77 8.435 8.853 -0.418 1
1 865 . 18 1 1 A 77 77 LYS HA H 77 5.195 5.064 0.131 1
1 874 . 18 1 1 A 77 77 LYS C C 77 175.450 175.057 0.393 1
1 875 . 18 1 1 A 77 77 LYS CA C 77 54.930 55.303 -0.373 1
1 876 . 18 1 1 A 77 77 LYS CB C 77 33.520 34.741 -1.221 1
1 880 . 18 1 1 A 77 77 LYS N N 77 120.636 122.227 -1.591 1
1 881 . 18 1 1 A 78 78 LEU H H 78 9.016 9.411 -0.395 1
1 882 . 18 1 1 A 78 78 LEU HA H 78 5.225 5.104 0.121 1
1 892 . 18 1 1 A 78 78 LEU C C 78 175.970 175.639 0.331 1
1 893 . 18 1 1 A 78 78 LEU CA C 78 53.700 53.744 -0.044 1
1 894 . 18 1 1 A 78 78 LEU CB C 78 45.250 44.104 1.146 1
1 898 . 18 1 1 A 78 78 LEU N N 78 123.751 126.314 -2.563 1
1 899 . 18 1 1 A 79 79 MET H H 79 8.983 9.030 -0.047 1
1 900 . 18 1 1 A 79 79 MET HA H 79 5.163 4.901 0.262 1
1 905 . 18 1 1 A 79 79 MET C C 79 173.970 174.884 -0.914 1
1 906 . 18 1 1 A 79 79 MET CA C 79 55.508 53.972 1.536 1
1 907 . 18 1 1 A 79 79 MET CB C 79 35.180 33.560 1.620 1
1 909 . 18 1 1 A 79 79 MET N N 79 120.990 125.056 -4.066 1
1 910 . 18 1 1 A 80 80 LEU H H 80 8.905 8.782 0.123 1
1 911 . 18 1 1 A 80 80 LEU HA H 80 5.235 4.983 0.252 1
1 921 . 18 1 1 A 80 80 LEU C C 80 174.730 175.414 -0.684 1
1 922 . 18 1 1 A 80 80 LEU CA C 80 54.071 53.759 0.312 1
1 923 . 18 1 1 A 80 80 LEU CB C 80 43.540 43.646 -0.106 1
1 927 . 18 1 1 A 81 81 MET H H 81 9.229 9.011 0.218 1
1 928 . 18 1 1 A 81 81 MET HA H 81 4.960 4.610 0.350 1
1 936 . 18 1 1 A 81 81 MET C C 81 174.450 174.678 -0.228 1
1 937 . 18 1 1 A 81 81 MET CA C 81 53.830 54.751 -0.921 1
1 938 . 18 1 1 A 81 81 MET CB C 81 34.810 31.114 3.696 1
1 941 . 18 1 1 A 81 81 MET N N 81 125.712 127.846 -2.134 1
1 942 . 18 1 1 A 82 82 ALA H H 82 8.891 8.043 0.848 1
1 943 . 18 1 1 A 82 82 ALA HA H 82 5.043 5.409 -0.366 1
1 947 . 18 1 1 A 82 82 ALA C C 82 177.470 175.491 1.979 1
1 948 . 18 1 1 A 82 82 ALA CA C 82 51.010 50.516 0.494 1
1 949 . 18 1 1 A 82 82 ALA CB C 82 21.124 23.957 -2.833 1
1 950 . 18 1 1 A 82 82 ALA N N 82 126.315 127.202 -0.887 1
1 951 . 18 1 1 A 83 83 SER H H 83 8.719 8.654 0.065 1
1 952 . 18 1 1 A 83 83 SER HA H 83 4.497 4.771 -0.274 1
1 955 . 18 1 1 A 83 83 SER C C 83 174.360 174.629 -0.269 1
1 956 . 18 1 1 A 83 83 SER CA C 83 58.534 57.152 1.382 1
1 957 . 18 1 1 A 83 83 SER CB C 83 64.140 65.724 -1.584 1
1 958 . 18 1 1 A 83 83 SER N N 83 117.987 114.139 3.848 1
1 959 . 18 1 1 A 84 84 GLN H H 84 8.629 8.921 -0.292 1
1 960 . 18 1 1 A 84 84 GLN HA H 84 4.449 4.083 0.366 1
1 967 . 18 1 1 A 84 84 GLN C C 84 175.370 176.038 -0.668 1
1 968 . 18 1 1 A 84 84 GLN CA C 84 55.890 57.342 -1.452 1
1 969 . 18 1 1 A 84 84 GLN CB C 84 29.860 29.624 0.236 1
1 971 . 18 1 1 A 84 84 GLN N N 84 122.746 121.092 1.654 1
1 1 . 19 1 1 A 10 10 HIS HA H 10 4.506 4.794 -0.288 1
1 4 . 19 1 1 A 10 10 HIS C C 10 176.040 175.175 0.865 1
1 5 . 19 1 1 A 10 10 HIS CA C 10 55.850 55.802 0.048 1
1 6 . 19 1 1 A 10 10 HIS CB C 10 33.250 30.683 2.567 1
1 7 . 19 1 1 A 11 11 SER H H 11 8.462 7.598 0.864 1
1 8 . 19 1 1 A 11 11 SER HA H 11 4.516 4.258 0.258 1
1 10 . 19 1 1 A 11 11 SER C C 11 174.050 174.076 -0.026 1
1 11 . 19 1 1 A 11 11 SER CA C 11 59.054 59.197 -0.143 1
1 12 . 19 1 1 A 11 11 SER CB C 11 63.850 64.047 -0.197 1
1 13 . 19 1 1 A 11 11 SER N N 11 117.900 118.116 -0.216 1
1 14 . 19 1 1 A 12 12 THR H H 12 7.923 8.507 -0.584 1
1 15 . 19 1 1 A 12 12 THR HA H 12 4.581 4.843 -0.262 1
1 20 . 19 1 1 A 12 12 THR C C 12 174.140 174.648 -0.508 1
1 21 . 19 1 1 A 12 12 THR CA C 12 61.245 61.016 0.229 1
1 22 . 19 1 1 A 12 12 THR CB C 12 71.940 69.862 2.078 1
1 24 . 19 1 1 A 12 12 THR N N 12 112.783 113.854 -1.071 1
1 25 . 19 1 1 A 13 13 ILE H H 13 9.201 9.020 0.181 1
1 26 . 19 1 1 A 13 13 ILE HA H 13 4.532 4.868 -0.336 1
1 36 . 19 1 1 A 13 13 ILE C C 13 173.930 174.687 -0.757 1
1 37 . 19 1 1 A 13 13 ILE CA C 13 59.720 59.298 0.422 1
1 38 . 19 1 1 A 13 13 ILE CB C 13 41.597 39.846 1.751 1
1 42 . 19 1 1 A 13 13 ILE N N 13 117.602 122.257 -4.655 1
1 43 . 19 1 1 A 14 14 LYS H H 14 8.077 8.584 -0.507 1
1 44 . 19 1 1 A 14 14 LYS HA H 14 5.110 4.862 0.248 1
1 53 . 19 1 1 A 14 14 LYS C C 14 175.360 175.183 0.177 1
1 54 . 19 1 1 A 14 14 LYS CA C 14 55.200 55.751 -0.551 1
1 55 . 19 1 1 A 14 14 LYS CB C 14 33.130 32.954 0.176 1
1 59 . 19 1 1 A 14 14 LYS N N 14 122.699 122.793 -0.094 1
1 60 . 19 1 1 A 15 15 LEU H H 15 8.953 9.425 -0.472 1
1 61 . 19 1 1 A 15 15 LEU HA H 15 5.025 4.798 0.227 1
1 71 . 19 1 1 A 15 15 LEU C C 15 176.400 176.147 0.253 1
1 72 . 19 1 1 A 15 15 LEU CA C 15 53.620 53.910 -0.290 1
1 73 . 19 1 1 A 15 15 LEU CB C 15 45.380 43.568 1.812 1
1 77 . 19 1 1 A 15 15 LEU N N 15 121.650 126.913 -5.263 1
1 78 . 19 1 1 A 16 16 THR H H 16 8.412 8.937 -0.525 1
1 79 . 19 1 1 A 16 16 THR HA H 16 5.075 4.774 0.301 1
1 84 . 19 1 1 A 16 16 THR C C 16 173.070 173.116 -0.046 1
1 85 . 19 1 1 A 16 16 THR CA C 16 61.380 61.691 -0.311 1
1 86 . 19 1 1 A 16 16 THR CB C 16 71.700 68.735 2.965 1
1 88 . 19 1 1 A 16 16 THR N N 16 114.701 119.896 -5.195 1
1 89 . 19 1 1 A 17 17 VAL H H 17 9.083 8.832 0.251 1
1 90 . 19 1 1 A 17 17 VAL HA H 17 4.600 4.828 -0.228 1
1 98 . 19 1 1 A 17 17 VAL C C 17 174.570 174.629 -0.059 1
1 99 . 19 1 1 A 17 17 VAL CA C 17 61.005 61.343 -0.338 1
1 100 . 19 1 1 A 17 17 VAL CB C 17 33.600 33.315 0.285 1
1 103 . 19 1 1 A 17 17 VAL N N 17 125.565 128.107 -2.542 1
1 104 . 19 1 1 A 18 18 LYS H H 18 9.183 8.841 0.342 1
1 105 . 19 1 1 A 18 18 LYS HA H 18 5.156 5.030 0.126 1
1 114 . 19 1 1 A 18 18 LYS C C 18 175.150 175.699 -0.549 1
1 115 . 19 1 1 A 18 18 LYS CA C 18 54.630 54.510 0.120 1
1 116 . 19 1 1 A 18 18 LYS CB C 18 33.217 34.607 -1.390 1
1 120 . 19 1 1 A 18 18 LYS N N 18 129.200 127.752 1.448 1
1 121 . 19 1 1 A 19 19 PHE H H 19 8.927 9.043 -0.116 1
1 122 . 19 1 1 A 19 19 PHE HA H 19 5.377 4.778 0.599 1
1 129 . 19 1 1 A 19 19 PHE C C 19 175.850 176.365 -0.515 1
1 130 . 19 1 1 A 19 19 PHE CA C 19 55.330 57.678 -2.348 1
1 131 . 19 1 1 A 19 19 PHE CB C 19 41.690 40.818 0.872 1
1 136 . 19 1 1 A 19 19 PHE N N 19 126.659 126.114 0.545 1
1 139 . 19 1 1 A 20 20 GLY H H 20 9.275 8.749 0.526 1
1 140 . 19 1 1 A 20 20 GLY HA2 H 20 3.580 3.798 -0.218 1
1 141 . 19 1 1 A 20 20 GLY HA3 H 20 3.578 3.818 -0.240 1
1 142 . 19 1 1 A 20 20 GLY C C 20 175.090 175.509 -0.419 1
1 143 . 19 1 1 A 20 20 GLY CA C 20 47.070 47.245 -0.175 1
1 144 . 19 1 1 A 20 20 GLY N N 20 119.629 109.717 9.912 1
1 145 . 19 1 1 A 21 21 GLY H H 21 8.819 8.651 0.168 1
1 146 . 19 1 1 A 21 21 GLY HA2 H 21 3.942 4.033 -0.091 1
1 147 . 19 1 1 A 21 21 GLY HA3 H 21 3.942 4.033 -0.091 1
1 148 . 19 1 1 A 21 21 GLY C C 21 173.890 173.758 0.132 1
1 149 . 19 1 1 A 21 21 GLY CA C 21 45.290 45.489 -0.199 1
1 150 . 19 1 1 A 21 21 GLY N N 21 111.500 114.420 -2.920 1
1 151 . 19 1 1 A 22 22 LYS H H 22 7.975 8.084 -0.109 1
1 152 . 19 1 1 A 22 22 LYS HA H 22 4.616 4.887 -0.271 1
1 161 . 19 1 1 A 22 22 LYS C C 22 175.450 175.149 0.301 1
1 162 . 19 1 1 A 22 22 LYS CA C 22 55.514 54.401 1.113 1
1 163 . 19 1 1 A 22 22 LYS CB C 22 34.790 35.320 -0.530 1
1 167 . 19 1 1 A 22 22 LYS N N 22 121.832 120.973 0.859 1
1 168 . 19 1 1 A 23 23 SER H H 23 8.722 9.043 -0.321 1
1 169 . 19 1 1 A 23 23 SER HA H 23 4.841 5.570 -0.729 1
1 172 . 19 1 1 A 23 23 SER C C 23 173.910 173.729 0.181 1
1 173 . 19 1 1 A 23 23 SER CA C 23 58.344 56.613 1.731 1
1 174 . 19 1 1 A 23 23 SER CB C 23 64.237 64.714 -0.477 1
1 175 . 19 1 1 A 23 23 SER N N 23 119.004 117.405 1.599 1
1 176 . 19 1 1 A 24 24 ILE H H 24 9.444 9.617 -0.173 1
1 177 . 19 1 1 A 24 24 ILE HA H 24 4.502 4.655 -0.153 1
1 187 . 19 1 1 A 24 24 ILE C C 24 173.590 174.647 -1.057 1
1 188 . 19 1 1 A 24 24 ILE CA C 24 59.145 58.064 1.081 1
1 189 . 19 1 1 A 24 24 ILE CB C 24 40.620 39.718 0.902 1
1 193 . 19 1 1 A 24 24 ILE N N 24 129.205 126.880 2.325 1
1 194 . 19 1 1 A 25 25 PRO HA H 25 5.179 5.376 -0.197 1
1 201 . 19 1 1 A 25 25 PRO C C 25 176.750 175.976 0.774 1
1 202 . 19 1 1 A 25 25 PRO CA C 25 61.740 61.885 -0.145 1
1 203 . 19 1 1 A 25 25 PRO CB C 25 32.010 31.679 0.331 1
1 206 . 19 1 1 A 26 26 LEU H H 26 8.720 8.944 -0.224 1
1 207 . 19 1 1 A 26 26 LEU HA H 26 4.731 4.835 -0.104 1
1 217 . 19 1 1 A 26 26 LEU C C 26 175.450 175.374 0.076 1
1 218 . 19 1 1 A 26 26 LEU CA C 26 54.731 53.586 1.145 1
1 219 . 19 1 1 A 26 26 LEU CB C 26 47.766 44.078 3.688 1
1 223 . 19 1 1 A 26 26 LEU N N 26 122.986 124.623 -1.637 1
1 224 . 19 1 1 A 27 27 SER H H 27 8.404 8.911 -0.507 1
1 225 . 19 1 1 A 27 27 SER HA H 27 5.504 5.556 -0.052 1
1 228 . 19 1 1 A 27 27 SER C C 27 174.498 173.928 0.570 1
1 229 . 19 1 1 A 27 27 SER CA C 27 57.000 57.090 -0.090 1
1 230 . 19 1 1 A 27 27 SER CB C 27 63.850 64.359 -0.509 1
1 231 . 19 1 1 A 27 27 SER N N 27 118.151 119.874 -1.723 1
1 232 . 19 1 1 A 28 28 VAL H H 28 8.743 8.843 -0.100 1
1 233 . 19 1 1 A 28 28 VAL HA H 28 4.792 5.020 -0.228 1
1 241 . 19 1 1 A 28 28 VAL C C 28 174.250 174.714 -0.464 1
1 242 . 19 1 1 A 28 28 VAL CA C 28 58.792 58.995 -0.203 1
1 243 . 19 1 1 A 28 28 VAL CB C 28 36.600 35.287 1.313 1
1 246 . 19 1 1 A 28 28 VAL N N 28 118.097 121.615 -3.518 1
1 247 . 19 1 1 A 29 29 SER H H 29 8.694 8.555 0.139 1
1 248 . 19 1 1 A 29 29 SER HA H 29 4.960 4.686 0.274 1
1 251 . 19 1 1 A 29 29 SER C C 29 175.159 174.228 0.931 1
1 252 . 19 1 1 A 29 29 SER CA C 29 55.925 56.854 -0.929 1
1 253 . 19 1 1 A 29 29 SER CB C 29 64.080 62.881 1.199 1
1 254 . 19 1 1 A 29 29 SER N N 29 116.965 118.356 -1.391 1
1 255 . 19 1 1 A 30 30 PRO HA H 30 4.277 4.385 -0.108 1
1 262 . 19 1 1 A 30 30 PRO C C 30 175.705 177.344 -1.639 1
1 263 . 19 1 1 A 30 30 PRO CA C 30 64.825 64.542 0.283 1
1 264 . 19 1 1 A 30 30 PRO CB C 30 32.074 31.737 0.337 1
1 267 . 19 1 1 A 31 31 ASP H H 31 7.818 8.684 -0.866 1
1 268 . 19 1 1 A 31 31 ASP HA H 31 4.725 4.414 0.311 1
1 271 . 19 1 1 A 31 31 ASP C C 31 175.040 176.872 -1.832 1
1 272 . 19 1 1 A 31 31 ASP CA C 31 54.160 55.956 -1.796 1
1 273 . 19 1 1 A 31 31 ASP CB C 31 41.590 40.943 0.647 1
1 274 . 19 1 1 A 31 31 ASP N N 31 114.503 118.043 -3.540 1
1 275 . 19 1 1 A 32 32 CYS H H 32 7.657 7.550 0.107 1
1 276 . 19 1 1 A 32 32 CYS HA H 32 4.483 4.647 -0.164 1
1 279 . 19 1 1 A 32 32 CYS C C 32 174.805 174.869 -0.064 1
1 280 . 19 1 1 A 32 32 CYS CA C 32 59.510 58.904 0.606 1
1 281 . 19 1 1 A 32 32 CYS CB C 32 28.010 28.729 -0.719 1
1 282 . 19 1 1 A 32 32 CYS N N 32 119.852 118.198 1.654 1
1 283 . 19 1 1 A 33 33 THR H H 33 8.992 8.720 0.272 1
1 284 . 19 1 1 A 33 33 THR HA H 33 4.861 4.936 -0.075 1
1 289 . 19 1 1 A 33 33 THR C C 33 176.350 176.276 0.074 1
1 290 . 19 1 1 A 33 33 THR CA C 33 61.165 60.409 0.756 1
1 291 . 19 1 1 A 33 33 THR CB C 33 71.968 71.281 0.687 1
1 293 . 19 1 1 A 33 33 THR N N 33 115.278 113.555 1.723 1
1 294 . 19 1 1 A 34 34 VAL H H 34 8.558 8.681 -0.123 1
1 295 . 19 1 1 A 34 34 VAL HA H 34 3.384 3.854 -0.470 1
1 303 . 19 1 1 A 34 34 VAL C C 34 177.880 177.583 0.297 1
1 304 . 19 1 1 A 34 34 VAL CA C 34 67.050 65.231 1.819 1
1 305 . 19 1 1 A 34 34 VAL CB C 34 31.303 31.468 -0.165 1
1 308 . 19 1 1 A 34 34 VAL N N 34 123.274 119.793 3.481 1
1 309 . 19 1 1 A 35 35 LYS H H 35 8.316 7.985 0.331 1
1 310 . 19 1 1 A 35 35 LYS HA H 35 3.758 3.967 -0.209 1
1 319 . 19 1 1 A 35 35 LYS C C 35 178.180 178.137 0.043 1
1 320 . 19 1 1 A 35 35 LYS CA C 35 60.812 59.241 1.571 1
1 321 . 19 1 1 A 35 35 LYS CB C 35 32.610 32.003 0.607 1
1 325 . 19 1 1 A 35 35 LYS N N 35 119.813 121.106 -1.293 1
1 326 . 19 1 1 A 36 36 ASP H H 36 7.959 7.987 -0.028 1
1 327 . 19 1 1 A 36 36 ASP HA H 36 4.414 4.320 0.094 1
1 330 . 19 1 1 A 36 36 ASP C C 36 179.395 178.554 0.841 1
1 331 . 19 1 1 A 36 36 ASP CA C 36 57.360 57.855 -0.495 1
1 332 . 19 1 1 A 36 36 ASP CB C 36 40.350 41.953 -1.603 1
1 333 . 19 1 1 A 36 36 ASP N N 36 120.728 119.922 0.806 1
1 334 . 19 1 1 A 37 37 LEU H H 37 8.147 8.197 -0.050 1
1 335 . 19 1 1 A 37 37 LEU HA H 37 3.976 3.916 0.060 1
1 345 . 19 1 1 A 37 37 LEU C C 37 178.630 179.486 -0.856 1
1 346 . 19 1 1 A 37 37 LEU CA C 37 58.210 57.945 0.265 1
1 347 . 19 1 1 A 37 37 LEU CB C 37 41.470 41.587 -0.117 1
1 351 . 19 1 1 A 37 37 LEU N N 37 123.841 119.942 3.899 1
1 352 . 19 1 1 A 38 38 LYS H H 38 8.308 7.707 0.601 1
1 353 . 19 1 1 A 38 38 LYS HA H 38 4.505 4.371 0.134 1
1 362 . 19 1 1 A 38 38 LYS C C 38 180.780 179.758 1.022 1
1 363 . 19 1 1 A 38 38 LYS CA C 38 59.910 59.273 0.637 1
1 364 . 19 1 1 A 38 38 LYS CB C 38 34.270 31.920 2.350 1
1 368 . 19 1 1 A 38 38 LYS N N 38 117.736 119.006 -1.270 1
1 369 . 19 1 1 A 39 39 SER H H 39 7.952 7.666 0.286 1
1 370 . 19 1 1 A 39 39 SER HA H 39 4.230 4.235 -0.005 1
1 373 . 19 1 1 A 39 39 SER C C 39 177.240 175.749 1.491 1
1 374 . 19 1 1 A 39 39 SER CA C 39 62.440 60.967 1.473 1
1 375 . 19 1 1 A 39 39 SER CB C 39 62.670 63.164 -0.494 1
1 376 . 19 1 1 A 39 39 SER N N 39 115.100 114.770 0.330 1
1 377 . 19 1 1 A 40 40 GLN H H 40 7.899 7.347 0.552 1
1 378 . 19 1 1 A 40 40 GLN HA H 40 4.125 4.299 -0.174 1
1 385 . 19 1 1 A 40 40 GLN C C 40 178.330 178.525 -0.195 1
1 386 . 19 1 1 A 40 40 GLN CA C 40 59.045 57.451 1.594 1
1 387 . 19 1 1 A 40 40 GLN CB C 40 28.893 29.218 -0.325 1
1 389 . 19 1 1 A 40 40 GLN N N 40 121.600 119.711 1.889 1
1 391 . 19 1 1 A 41 41 LEU H H 41 8.010 8.558 -0.548 1
1 392 . 19 1 1 A 41 41 LEU HA H 41 4.130 4.048 0.082 1
1 402 . 19 1 1 A 41 41 LEU C C 41 179.980 178.943 1.037 1
1 403 . 19 1 1 A 41 41 LEU CA C 41 56.472 57.589 -1.117 1
1 404 . 19 1 1 A 41 41 LEU CB C 41 42.660 41.395 1.265 1
1 408 . 19 1 1 A 41 41 LEU N N 41 116.657 120.353 -3.696 1
1 409 . 19 1 1 A 42 42 GLN H H 42 7.903 8.178 -0.275 1
1 410 . 19 1 1 A 42 42 GLN HA H 42 4.180 4.399 -0.219 1
1 417 . 19 1 1 A 42 42 GLN C C 42 174.350 174.427 -0.077 1
1 418 . 19 1 1 A 42 42 GLN CA C 42 61.300 61.070 0.230 1
1 419 . 19 1 1 A 42 42 GLN CB C 42 25.250 26.259 -1.009 1
1 421 . 19 1 1 A 42 42 GLN N N 42 125.104 119.925 5.179 1
1 423 . 19 1 1 A 43 43 PRO HA H 43 4.410 4.418 -0.008 1
1 430 . 19 1 1 A 43 43 PRO C C 43 177.270 177.951 -0.681 1
1 431 . 19 1 1 A 43 43 PRO CA C 43 65.130 64.998 0.132 1
1 432 . 19 1 1 A 43 43 PRO CB C 43 31.208 31.339 -0.131 1
1 435 . 19 1 1 A 44 44 ILE H H 44 6.568 7.770 -1.202 1
1 436 . 19 1 1 A 44 44 ILE HA H 44 3.959 4.098 -0.139 1
1 446 . 19 1 1 A 44 44 ILE C C 44 177.060 177.745 -0.685 1
1 447 . 19 1 1 A 44 44 ILE CA C 44 63.670 62.691 0.979 1
1 448 . 19 1 1 A 44 44 ILE CB C 44 40.270 38.895 1.375 1
1 452 . 19 1 1 A 44 44 ILE N N 44 114.765 116.836 -2.071 1
1 453 . 19 1 1 A 45 45 THR H H 45 7.826 8.339 -0.513 1
1 454 . 19 1 1 A 45 45 THR HA H 45 4.202 4.341 -0.139 1
1 459 . 19 1 1 A 45 45 THR C C 45 174.990 174.370 0.620 1
1 460 . 19 1 1 A 45 45 THR CA C 45 62.696 61.550 1.146 1
1 461 . 19 1 1 A 45 45 THR CB C 45 71.682 69.105 2.577 1
1 463 . 19 1 1 A 45 45 THR N N 45 107.323 109.320 -1.997 1
1 464 . 19 1 1 A 46 46 ASN H H 46 8.660 7.824 0.836 1
1 465 . 19 1 1 A 46 46 ASN HA H 46 4.381 4.508 -0.127 1
1 470 . 19 1 1 A 46 46 ASN C C 46 173.900 173.203 0.697 1
1 471 . 19 1 1 A 46 46 ASN CA C 46 54.890 54.535 0.355 1
1 472 . 19 1 1 A 46 46 ASN CB C 46 38.207 37.209 0.998 1
1 473 . 19 1 1 A 46 46 ASN N N 46 117.586 116.178 1.408 1
1 475 . 19 1 1 A 47 47 VAL H H 47 7.517 7.804 -0.287 1
1 476 . 19 1 1 A 47 47 VAL HA H 47 4.134 4.516 -0.382 1
1 484 . 19 1 1 A 47 47 VAL C C 47 176.140 175.383 0.757 1
1 485 . 19 1 1 A 47 47 VAL CA C 47 61.763 60.373 1.390 1
1 486 . 19 1 1 A 47 47 VAL CB C 47 32.925 33.857 -0.932 1
1 489 . 19 1 1 A 47 47 VAL N N 47 119.901 118.600 1.301 1
1 490 . 19 1 1 A 48 48 LEU H H 48 8.650 8.814 -0.164 1
1 491 . 19 1 1 A 48 48 LEU HA H 48 4.194 4.649 -0.455 1
1 501 . 19 1 1 A 48 48 LEU C C 48 177.110 177.182 -0.072 1
1 502 . 19 1 1 A 48 48 LEU CA C 48 54.491 52.843 1.648 1
1 503 . 19 1 1 A 48 48 LEU CB C 48 41.171 41.538 -0.367 1
1 507 . 19 1 1 A 48 48 LEU N N 48 128.467 127.559 0.908 1
1 508 . 19 1 1 A 49 49 PRO HA H 49 3.923 4.238 -0.315 1
1 515 . 19 1 1 A 49 49 PRO C C 49 178.430 178.197 0.233 1
1 516 . 19 1 1 A 49 49 PRO CA C 49 67.000 65.449 1.551 1
1 517 . 19 1 1 A 49 49 PRO CB C 49 32.456 31.801 0.655 1
1 520 . 19 1 1 A 50 50 ARG H H 50 8.331 8.204 0.127 1
1 521 . 19 1 1 A 50 50 ARG HA H 50 4.239 4.060 0.179 1
1 528 . 19 1 1 A 50 50 ARG C C 50 176.940 178.548 -1.608 1
1 529 . 19 1 1 A 50 50 ARG CA C 50 58.130 59.338 -1.208 1
1 530 . 19 1 1 A 50 50 ARG CB C 50 29.200 29.745 -0.545 1
1 533 . 19 1 1 A 50 50 ARG N N 50 114.500 118.490 -3.990 1
1 534 . 19 1 1 A 51 51 GLY H H 51 8.199 8.037 0.162 1
1 535 . 19 1 1 A 51 51 GLY HA2 H 51 3.605 3.982 -0.377 1
1 536 . 19 1 1 A 51 51 GLY HA3 H 51 4.335 3.991 0.344 1
1 537 . 19 1 1 A 51 51 GLY C C 51 173.340 174.379 -1.039 1
1 538 . 19 1 1 A 51 51 GLY CA C 51 44.750 45.600 -0.850 1
1 539 . 19 1 1 A 51 51 GLY N N 51 107.942 106.968 0.974 1
1 540 . 19 1 1 A 52 52 GLN H H 52 7.475 7.734 -0.259 1
1 541 . 19 1 1 A 52 52 GLN HA H 52 4.315 4.293 0.022 1
1 548 . 19 1 1 A 52 52 GLN C C 52 175.770 175.016 0.754 1
1 549 . 19 1 1 A 52 52 GLN CA C 52 56.023 55.506 0.517 1
1 550 . 19 1 1 A 52 52 GLN CB C 52 31.494 29.184 2.310 1
1 552 . 19 1 1 A 52 52 GLN N N 52 119.769 119.668 0.101 1
1 554 . 19 1 1 A 53 53 LYS H H 53 8.586 9.093 -0.507 1
1 555 . 19 1 1 A 53 53 LYS HA H 53 4.500 4.648 -0.148 1
1 564 . 19 1 1 A 53 53 LYS C C 53 174.080 175.343 -1.263 1
1 565 . 19 1 1 A 53 53 LYS CA C 53 55.950 55.080 0.870 1
1 566 . 19 1 1 A 53 53 LYS CB C 53 34.690 32.546 2.144 1
1 570 . 19 1 1 A 53 53 LYS N N 53 123.759 125.446 -1.687 1
1 571 . 19 1 1 A 54 54 LEU H H 54 8.900 8.836 0.064 1
1 572 . 19 1 1 A 54 54 LEU HA H 54 5.271 4.521 0.750 1
1 582 . 19 1 1 A 54 54 LEU C C 54 174.940 175.765 -0.825 1
1 583 . 19 1 1 A 54 54 LEU CA C 54 53.250 54.524 -1.274 1
1 584 . 19 1 1 A 54 54 LEU CB C 54 45.042 41.670 3.372 1
1 588 . 19 1 1 A 54 54 LEU N N 54 126.200 125.954 0.246 1
1 589 . 19 1 1 A 55 55 ILE H H 55 9.330 8.836 0.494 1
1 590 . 19 1 1 A 55 55 ILE HA H 55 4.886 4.940 -0.054 1
1 600 . 19 1 1 A 55 55 ILE C C 55 175.623 173.843 1.780 1
1 601 . 19 1 1 A 55 55 ILE CA C 55 59.402 59.950 -0.548 1
1 602 . 19 1 1 A 55 55 ILE CB C 55 40.270 40.793 -0.523 1
1 606 . 19 1 1 A 55 55 ILE N N 55 123.589 124.429 -0.840 1
1 607 . 19 1 1 A 56 56 PHE H H 56 9.241 9.325 -0.084 1
1 608 . 19 1 1 A 56 56 PHE HA H 56 5.212 4.812 0.400 1
1 615 . 19 1 1 A 56 56 PHE C C 56 174.600 175.149 -0.549 1
1 616 . 19 1 1 A 56 56 PHE CA C 56 55.936 57.476 -1.540 1
1 617 . 19 1 1 A 56 56 PHE CB C 56 42.830 41.253 1.577 1
1 622 . 19 1 1 A 56 56 PHE N N 56 127.423 128.502 -1.079 1
1 625 . 19 1 1 A 57 57 LYS H H 57 9.307 9.465 -0.158 1
1 626 . 19 1 1 A 57 57 LYS HA H 57 3.630 3.651 -0.021 1
1 635 . 19 1 1 A 57 57 LYS C C 57 176.620 176.537 0.083 1
1 636 . 19 1 1 A 57 57 LYS CA C 57 57.495 57.167 0.328 1
1 637 . 19 1 1 A 57 57 LYS CB C 57 30.100 29.793 0.307 1
1 641 . 19 1 1 A 57 57 LYS N N 57 128.612 128.187 0.425 1
1 642 . 19 1 1 A 58 58 GLY H H 58 8.288 8.488 -0.200 1
1 643 . 19 1 1 A 58 58 GLY HA2 H 58 3.487 3.802 -0.315 1
1 644 . 19 1 1 A 58 58 GLY HA3 H 58 4.098 3.815 0.283 1
1 645 . 19 1 1 A 58 58 GLY C C 58 173.568 173.374 0.194 1
1 646 . 19 1 1 A 58 58 GLY CA C 58 45.475 45.414 0.061 1
1 647 . 19 1 1 A 58 58 GLY N N 58 102.757 105.362 -2.605 1
1 648 . 19 1 1 A 59 59 LYS H H 59 7.900 7.866 0.034 1
1 649 . 19 1 1 A 59 59 LYS HA H 59 4.667 4.648 0.019 1
1 658 . 19 1 1 A 59 59 LYS C C 59 174.830 175.630 -0.800 1
1 659 . 19 1 1 A 59 59 LYS CA C 59 55.222 54.743 0.479 1
1 660 . 19 1 1 A 59 59 LYS CB C 59 35.010 34.668 0.342 1
1 664 . 19 1 1 A 59 59 LYS N N 59 121.753 121.496 0.257 1
1 665 . 19 1 1 A 60 60 VAL H H 60 8.587 8.588 -0.001 1
1 666 . 19 1 1 A 60 60 VAL HA H 60 4.209 4.076 0.133 1
1 674 . 19 1 1 A 60 60 VAL C C 60 177.380 176.133 1.247 1
1 675 . 19 1 1 A 60 60 VAL CA C 60 63.080 63.064 0.016 1
1 676 . 19 1 1 A 60 60 VAL CB C 60 32.101 31.953 0.148 1
1 679 . 19 1 1 A 60 60 VAL N N 60 123.795 126.662 -2.867 1
1 680 . 19 1 1 A 61 61 LEU H H 61 8.876 8.606 0.270 1
1 681 . 19 1 1 A 61 61 LEU HA H 61 4.430 4.481 -0.051 1
1 691 . 19 1 1 A 61 61 LEU C C 61 176.660 177.245 -0.585 1
1 692 . 19 1 1 A 61 61 LEU CA C 61 54.760 54.315 0.445 1
1 693 . 19 1 1 A 61 61 LEU CB C 61 43.060 42.138 0.922 1
1 697 . 19 1 1 A 61 61 LEU N N 61 129.083 128.842 0.241 1
1 698 . 19 1 1 A 62 62 VAL H H 62 8.759 8.606 0.153 1
1 699 . 19 1 1 A 62 62 VAL HA H 62 3.989 3.921 0.068 1
1 707 . 19 1 1 A 62 62 VAL C C 62 178.390 175.064 3.326 1
1 708 . 19 1 1 A 62 62 VAL CA C 62 63.077 63.773 -0.696 1
1 709 . 19 1 1 A 62 62 VAL CB C 62 32.440 31.333 1.107 1
1 712 . 19 1 1 A 62 62 VAL N N 62 124.193 123.929 0.264 1
1 713 . 19 1 1 A 63 63 GLU H H 63 8.806 8.980 -0.174 1
1 714 . 19 1 1 A 63 63 GLU HA H 63 3.757 4.090 -0.333 1
1 719 . 19 1 1 A 63 63 GLU C C 63 176.500 177.442 -0.942 1
1 720 . 19 1 1 A 63 63 GLU CA C 63 60.509 59.713 0.796 1
1 721 . 19 1 1 A 63 63 GLU CB C 63 30.580 29.261 1.319 1
1 723 . 19 1 1 A 63 63 GLU N N 63 125.296 126.124 -0.828 1
1 724 . 19 1 1 A 64 64 THR H H 64 7.100 7.662 -0.562 1
1 725 . 19 1 1 A 64 64 THR HA H 64 4.279 4.435 -0.156 1
1 730 . 19 1 1 A 64 64 THR C C 64 175.290 173.498 1.792 1
1 731 . 19 1 1 A 64 64 THR CA C 64 61.466 62.126 -0.660 1
1 732 . 19 1 1 A 64 64 THR CB C 64 68.840 69.286 -0.446 1
1 734 . 19 1 1 A 64 64 THR N N 64 102.822 108.274 -5.452 1
1 735 . 19 1 1 A 65 65 SER H H 65 7.749 7.921 -0.172 1
1 736 . 19 1 1 A 65 65 SER HA H 65 4.676 4.845 -0.169 1
1 739 . 19 1 1 A 65 65 SER C C 65 174.300 173.729 0.571 1
1 740 . 19 1 1 A 65 65 SER CA C 65 58.060 56.165 1.895 1
1 741 . 19 1 1 A 65 65 SER CB C 65 64.950 66.338 -1.388 1
1 742 . 19 1 1 A 65 65 SER N N 65 117.966 117.538 0.428 1
1 743 . 19 1 1 A 66 66 THR H H 66 8.512 8.632 -0.120 1
1 744 . 19 1 1 A 66 66 THR HA H 66 5.032 4.868 0.164 1
1 750 . 19 1 1 A 66 66 THR C C 66 177.300 176.252 1.048 1
1 751 . 19 1 1 A 66 66 THR CA C 66 60.200 59.935 0.265 1
1 752 . 19 1 1 A 66 66 THR CB C 66 71.550 71.909 -0.359 1
1 754 . 19 1 1 A 66 66 THR N N 66 111.490 113.865 -2.375 1
1 755 . 19 1 1 A 67 67 LEU H H 67 8.451 8.776 -0.325 1
1 756 . 19 1 1 A 67 67 LEU HA H 67 3.753 3.842 -0.089 1
1 766 . 19 1 1 A 67 67 LEU C C 67 179.170 179.041 0.129 1
1 767 . 19 1 1 A 67 67 LEU CA C 67 59.234 57.999 1.235 1
1 768 . 19 1 1 A 67 67 LEU CB C 67 38.897 41.375 -2.478 1
1 772 . 19 1 1 A 67 67 LEU N N 67 122.302 121.995 0.307 1
1 773 . 19 1 1 A 68 68 LYS H H 68 8.313 8.013 0.300 1
1 774 . 19 1 1 A 68 68 LYS HA H 68 4.090 3.876 0.214 1
1 783 . 19 1 1 A 68 68 LYS C C 68 180.950 179.241 1.709 1
1 784 . 19 1 1 A 68 68 LYS CA C 68 59.620 59.121 0.499 1
1 785 . 19 1 1 A 68 68 LYS CB C 68 32.490 31.942 0.548 1
1 789 . 19 1 1 A 68 68 LYS N N 68 120.066 120.716 -0.650 1
1 790 . 19 1 1 A 69 69 GLN H H 69 8.019 8.243 -0.224 1
1 791 . 19 1 1 A 69 69 GLN HA H 69 4.086 4.117 -0.031 1
1 798 . 19 1 1 A 69 69 GLN C C 69 177.840 177.381 0.459 1
1 799 . 19 1 1 A 69 69 GLN CA C 69 58.260 58.413 -0.153 1
1 800 . 19 1 1 A 69 69 GLN CB C 69 28.580 28.866 -0.286 1
1 802 . 19 1 1 A 69 69 GLN N N 69 119.594 119.250 0.344 1
1 804 . 19 1 1 A 70 70 SER H H 70 7.544 7.431 0.113 1
1 805 . 19 1 1 A 70 70 SER HA H 70 4.517 4.530 -0.013 1
1 808 . 19 1 1 A 70 70 SER C C 70 171.870 172.837 -0.967 1
1 809 . 19 1 1 A 70 70 SER CA C 70 58.920 58.186 0.734 1
1 810 . 19 1 1 A 70 70 SER CB C 70 64.446 63.232 1.214 1
1 811 . 19 1 1 A 70 70 SER N N 70 114.028 111.438 2.590 1
1 812 . 19 1 1 A 71 71 ASP H H 71 7.882 7.693 0.189 1
1 813 . 19 1 1 A 71 71 ASP HA H 71 4.278 4.310 -0.032 1
1 816 . 19 1 1 A 71 71 ASP C C 71 174.050 175.308 -1.258 1
1 817 . 19 1 1 A 71 71 ASP CA C 71 55.660 55.602 0.058 1
1 818 . 19 1 1 A 71 71 ASP CB C 71 39.540 39.777 -0.237 1
1 819 . 19 1 1 A 71 71 ASP N N 71 116.055 117.972 -1.917 1
1 820 . 19 1 1 A 72 72 VAL H H 72 7.723 7.611 0.112 1
1 821 . 19 1 1 A 72 72 VAL HA H 72 3.285 3.725 -0.440 1
1 829 . 19 1 1 A 72 72 VAL C C 72 173.980 175.593 -1.613 1
1 830 . 19 1 1 A 72 72 VAL CA C 72 62.744 62.199 0.545 1
1 831 . 19 1 1 A 72 72 VAL CB C 72 30.727 31.284 -0.557 1
1 834 . 19 1 1 A 72 72 VAL N N 72 119.423 119.661 -0.238 1
1 835 . 19 1 1 A 73 73 GLY H H 73 7.722 8.614 -0.892 1
1 836 . 19 1 1 A 73 73 GLY HA2 H 73 3.590 4.131 -0.541 1
1 837 . 19 1 1 A 73 73 GLY HA3 H 73 4.416 4.155 0.261 1
1 838 . 19 1 1 A 73 73 GLY C C 73 172.450 173.146 -0.696 1
1 839 . 19 1 1 A 73 73 GLY CA C 73 42.820 43.858 -1.038 1
1 840 . 19 1 1 A 73 73 GLY N N 73 114.445 116.173 -1.728 1
1 841 . 19 1 1 A 74 74 SER H H 74 8.552 8.451 0.101 1
1 842 . 19 1 1 A 74 74 SER HA H 74 4.365 4.292 0.073 1
1 845 . 19 1 1 A 74 74 SER C C 74 177.240 175.105 2.135 1
1 846 . 19 1 1 A 74 74 SER CA C 74 60.420 59.728 0.692 1
1 847 . 19 1 1 A 74 74 SER CB C 74 63.350 62.589 0.761 1
1 848 . 19 1 1 A 74 74 SER N N 74 111.883 113.236 -1.353 1
1 849 . 19 1 1 A 75 75 GLY H H 75 9.718 9.070 0.648 1
1 850 . 19 1 1 A 75 75 GLY HA2 H 75 3.693 3.922 -0.229 1
1 851 . 19 1 1 A 75 75 GLY HA3 H 75 4.328 3.924 0.404 1
1 852 . 19 1 1 A 75 75 GLY C C 75 174.500 174.633 -0.133 1
1 853 . 19 1 1 A 75 75 GLY CA C 75 44.990 45.391 -0.401 1
1 854 . 19 1 1 A 75 75 GLY N N 75 115.986 113.515 2.471 1
1 855 . 19 1 1 A 76 76 ALA H H 76 7.939 7.834 0.105 1
1 856 . 19 1 1 A 76 76 ALA HA H 76 4.363 4.448 -0.085 1
1 860 . 19 1 1 A 76 76 ALA C C 76 176.170 177.175 -1.005 1
1 861 . 19 1 1 A 76 76 ALA CA C 76 53.372 52.379 0.993 1
1 862 . 19 1 1 A 76 76 ALA CB C 76 21.400 19.355 2.045 1
1 863 . 19 1 1 A 76 76 ALA N N 76 123.830 123.928 -0.098 1
1 864 . 19 1 1 A 77 77 LYS H H 77 8.435 8.664 -0.229 1
1 865 . 19 1 1 A 77 77 LYS HA H 77 5.195 5.187 0.008 1
1 874 . 19 1 1 A 77 77 LYS C C 77 175.450 175.693 -0.243 1
1 875 . 19 1 1 A 77 77 LYS CA C 77 54.930 55.665 -0.735 1
1 876 . 19 1 1 A 77 77 LYS CB C 77 33.520 33.755 -0.235 1
1 880 . 19 1 1 A 77 77 LYS N N 77 120.636 123.141 -2.505 1
1 881 . 19 1 1 A 78 78 LEU H H 78 9.016 9.489 -0.473 1
1 882 . 19 1 1 A 78 78 LEU HA H 78 5.225 5.232 -0.007 1
1 892 . 19 1 1 A 78 78 LEU C C 78 175.970 175.120 0.850 1
1 893 . 19 1 1 A 78 78 LEU CA C 78 53.700 53.343 0.357 1
1 894 . 19 1 1 A 78 78 LEU CB C 78 45.250 45.428 -0.178 1
1 898 . 19 1 1 A 78 78 LEU N N 78 123.751 126.474 -2.723 1
1 899 . 19 1 1 A 79 79 MET H H 79 8.983 9.298 -0.315 1
1 900 . 19 1 1 A 79 79 MET HA H 79 5.163 5.150 0.013 1
1 905 . 19 1 1 A 79 79 MET C C 79 173.970 174.168 -0.198 1
1 906 . 19 1 1 A 79 79 MET CA C 79 55.508 54.116 1.392 1
1 907 . 19 1 1 A 79 79 MET CB C 79 35.180 35.620 -0.440 1
1 909 . 19 1 1 A 79 79 MET N N 79 120.990 123.243 -2.253 1
1 910 . 19 1 1 A 80 80 LEU H H 80 8.905 9.136 -0.231 1
1 911 . 19 1 1 A 80 80 LEU HA H 80 5.235 5.027 0.208 1
1 921 . 19 1 1 A 80 80 LEU C C 80 174.730 175.335 -0.605 1
1 922 . 19 1 1 A 80 80 LEU CA C 80 54.071 53.649 0.422 1
1 923 . 19 1 1 A 80 80 LEU CB C 80 43.540 43.688 -0.148 1
1 927 . 19 1 1 A 81 81 MET H H 81 9.229 8.960 0.269 1
1 928 . 19 1 1 A 81 81 MET HA H 81 4.960 4.592 0.368 1
1 936 . 19 1 1 A 81 81 MET C C 81 174.450 174.805 -0.355 1
1 937 . 19 1 1 A 81 81 MET CA C 81 53.830 54.712 -0.882 1
1 938 . 19 1 1 A 81 81 MET CB C 81 34.810 31.101 3.709 1
1 941 . 19 1 1 A 81 81 MET N N 81 125.712 127.843 -2.131 1
1 942 . 19 1 1 A 82 82 ALA H H 82 8.891 7.890 1.001 1
1 943 . 19 1 1 A 82 82 ALA HA H 82 5.043 4.951 0.092 1
1 947 . 19 1 1 A 82 82 ALA C C 82 177.470 177.386 0.084 1
1 948 . 19 1 1 A 82 82 ALA CA C 82 51.010 51.189 -0.179 1
1 949 . 19 1 1 A 82 82 ALA CB C 82 21.124 22.951 -1.827 1
1 950 . 19 1 1 A 82 82 ALA N N 82 126.315 127.099 -0.784 1
1 951 . 19 1 1 A 83 83 SER H H 83 8.719 8.714 0.005 1
1 952 . 19 1 1 A 83 83 SER HA H 83 4.497 4.558 -0.061 1
1 955 . 19 1 1 A 83 83 SER C C 83 174.360 174.288 0.072 1
1 956 . 19 1 1 A 83 83 SER CA C 83 58.534 58.689 -0.155 1
1 957 . 19 1 1 A 83 83 SER CB C 83 64.140 63.019 1.121 1
1 958 . 19 1 1 A 83 83 SER N N 83 117.987 115.830 2.157 1
1 959 . 19 1 1 A 84 84 GLN H H 84 8.629 7.891 0.738 1
1 960 . 19 1 1 A 84 84 GLN HA H 84 4.449 4.645 -0.196 1
1 967 . 19 1 1 A 84 84 GLN C C 84 175.370 175.496 -0.126 1
1 968 . 19 1 1 A 84 84 GLN CA C 84 55.890 55.083 0.807 1
1 969 . 19 1 1 A 84 84 GLN CB C 84 29.860 30.484 -0.624 1
1 971 . 19 1 1 A 84 84 GLN N N 84 122.746 120.560 2.186 1
1 1 . 20 1 1 A 10 10 HIS HA H 10 4.506 5.146 -0.640 1
1 4 . 20 1 1 A 10 10 HIS C C 10 176.040 173.884 2.156 1
1 5 . 20 1 1 A 10 10 HIS CA C 10 55.850 54.259 1.591 1
1 6 . 20 1 1 A 10 10 HIS CB C 10 33.250 32.861 0.389 1
1 7 . 20 1 1 A 11 11 SER H H 11 8.462 7.904 0.558 1
1 8 . 20 1 1 A 11 11 SER HA H 11 4.516 4.182 0.334 1
1 10 . 20 1 1 A 11 11 SER C C 11 174.050 173.909 0.141 1
1 11 . 20 1 1 A 11 11 SER CA C 11 59.054 58.496 0.558 1
1 12 . 20 1 1 A 11 11 SER CB C 11 63.850 63.090 0.760 1
1 13 . 20 1 1 A 11 11 SER N N 11 117.900 119.917 -2.017 1
1 14 . 20 1 1 A 12 12 THR H H 12 7.923 8.657 -0.734 1
1 15 . 20 1 1 A 12 12 THR HA H 12 4.581 5.333 -0.752 1
1 20 . 20 1 1 A 12 12 THR C C 12 174.140 173.828 0.312 1
1 21 . 20 1 1 A 12 12 THR CA C 12 61.245 60.618 0.627 1
1 22 . 20 1 1 A 12 12 THR CB C 12 71.940 70.737 1.203 1
1 24 . 20 1 1 A 12 12 THR N N 12 112.783 117.599 -4.816 1
1 25 . 20 1 1 A 13 13 ILE H H 13 9.201 8.876 0.325 1
1 26 . 20 1 1 A 13 13 ILE HA H 13 4.532 4.763 -0.231 1
1 36 . 20 1 1 A 13 13 ILE C C 13 173.930 175.464 -1.534 1
1 37 . 20 1 1 A 13 13 ILE CA C 13 59.720 60.339 -0.619 1
1 38 . 20 1 1 A 13 13 ILE CB C 13 41.597 39.011 2.586 1
1 42 . 20 1 1 A 13 13 ILE N N 13 117.602 123.379 -5.777 1
1 43 . 20 1 1 A 14 14 LYS H H 14 8.077 8.416 -0.339 1
1 44 . 20 1 1 A 14 14 LYS HA H 14 5.110 4.986 0.124 1
1 53 . 20 1 1 A 14 14 LYS C C 14 175.360 175.446 -0.086 1
1 54 . 20 1 1 A 14 14 LYS CA C 14 55.200 55.641 -0.441 1
1 55 . 20 1 1 A 14 14 LYS CB C 14 33.130 32.796 0.334 1
1 59 . 20 1 1 A 14 14 LYS N N 14 122.699 123.539 -0.840 1
1 60 . 20 1 1 A 15 15 LEU H H 15 8.953 9.325 -0.372 1
1 61 . 20 1 1 A 15 15 LEU HA H 15 5.025 5.005 0.020 1
1 71 . 20 1 1 A 15 15 LEU C C 15 176.400 176.219 0.181 1
1 72 . 20 1 1 A 15 15 LEU CA C 15 53.620 53.240 0.380 1
1 73 . 20 1 1 A 15 15 LEU CB C 15 45.380 44.685 0.695 1
1 77 . 20 1 1 A 15 15 LEU N N 15 121.650 126.030 -4.380 1
1 78 . 20 1 1 A 16 16 THR H H 16 8.412 8.324 0.088 1
1 79 . 20 1 1 A 16 16 THR HA H 16 5.075 4.939 0.136 1
1 84 . 20 1 1 A 16 16 THR C C 16 173.070 173.442 -0.372 1
1 85 . 20 1 1 A 16 16 THR CA C 16 61.380 61.754 -0.374 1
1 86 . 20 1 1 A 16 16 THR CB C 16 71.700 70.591 1.109 1
1 88 . 20 1 1 A 16 16 THR N N 16 114.701 117.439 -2.738 1
1 89 . 20 1 1 A 17 17 VAL H H 17 9.083 9.309 -0.226 1
1 90 . 20 1 1 A 17 17 VAL HA H 17 4.600 4.522 0.078 1
1 98 . 20 1 1 A 17 17 VAL C C 17 174.570 175.558 -0.988 1
1 99 . 20 1 1 A 17 17 VAL CA C 17 61.005 62.155 -1.150 1
1 100 . 20 1 1 A 17 17 VAL CB C 17 33.600 31.660 1.940 1
1 103 . 20 1 1 A 17 17 VAL N N 17 125.565 127.850 -2.285 1
1 104 . 20 1 1 A 18 18 LYS H H 18 9.183 9.142 0.041 1
1 105 . 20 1 1 A 18 18 LYS HA H 18 5.156 4.679 0.477 1
1 114 . 20 1 1 A 18 18 LYS C C 18 175.150 175.447 -0.297 1
1 115 . 20 1 1 A 18 18 LYS CA C 18 54.630 55.469 -0.839 1
1 116 . 20 1 1 A 18 18 LYS CB C 18 33.217 31.354 1.863 1
1 120 . 20 1 1 A 18 18 LYS N N 18 129.200 128.490 0.710 1
1 121 . 20 1 1 A 19 19 PHE H H 19 8.927 9.015 -0.088 1
1 122 . 20 1 1 A 19 19 PHE HA H 19 5.377 4.760 0.617 1
1 129 . 20 1 1 A 19 19 PHE C C 19 175.850 175.995 -0.145 1
1 130 . 20 1 1 A 19 19 PHE CA C 19 55.330 57.668 -2.338 1
1 131 . 20 1 1 A 19 19 PHE CB C 19 41.690 39.021 2.669 1
1 136 . 20 1 1 A 19 19 PHE N N 19 126.659 126.749 -0.090 1
1 139 . 20 1 1 A 20 20 GLY H H 20 9.275 8.633 0.642 1
1 140 . 20 1 1 A 20 20 GLY HA2 H 20 3.580 3.677 -0.097 1
1 141 . 20 1 1 A 20 20 GLY HA3 H 20 3.578 3.804 -0.226 1
1 142 . 20 1 1 A 20 20 GLY C C 20 175.090 175.000 0.090 1
1 143 . 20 1 1 A 20 20 GLY CA C 20 47.070 46.596 0.474 1
1 144 . 20 1 1 A 20 20 GLY N N 20 119.629 113.944 5.685 1
1 145 . 20 1 1 A 21 21 GLY H H 21 8.819 8.780 0.039 1
1 146 . 20 1 1 A 21 21 GLY HA2 H 21 3.942 3.965 -0.023 1
1 147 . 20 1 1 A 21 21 GLY HA3 H 21 3.942 3.986 -0.044 1
1 148 . 20 1 1 A 21 21 GLY C C 21 173.890 174.335 -0.445 1
1 149 . 20 1 1 A 21 21 GLY CA C 21 45.290 45.023 0.267 1
1 150 . 20 1 1 A 21 21 GLY N N 21 111.500 106.862 4.638 1
1 151 . 20 1 1 A 22 22 LYS H H 22 7.975 7.879 0.096 1
1 152 . 20 1 1 A 22 22 LYS HA H 22 4.616 4.292 0.324 1
1 161 . 20 1 1 A 22 22 LYS C C 22 175.450 176.393 -0.943 1
1 162 . 20 1 1 A 22 22 LYS CA C 22 55.514 56.280 -0.766 1
1 163 . 20 1 1 A 22 22 LYS CB C 22 34.790 32.560 2.230 1
1 167 . 20 1 1 A 22 22 LYS N N 22 121.832 121.451 0.381 1
1 168 . 20 1 1 A 23 23 SER H H 23 8.722 8.633 0.089 1
1 169 . 20 1 1 A 23 23 SER HA H 23 4.841 4.777 0.064 1
1 172 . 20 1 1 A 23 23 SER C C 23 173.910 173.559 0.351 1
1 173 . 20 1 1 A 23 23 SER CA C 23 58.344 57.961 0.383 1
1 174 . 20 1 1 A 23 23 SER CB C 23 64.237 62.645 1.592 1
1 175 . 20 1 1 A 23 23 SER N N 23 119.004 120.219 -1.215 1
1 176 . 20 1 1 A 24 24 ILE H H 24 9.444 8.753 0.691 1
1 177 . 20 1 1 A 24 24 ILE HA H 24 4.502 4.652 -0.150 1
1 187 . 20 1 1 A 24 24 ILE C C 24 173.590 175.022 -1.432 1
1 188 . 20 1 1 A 24 24 ILE CA C 24 59.145 58.157 0.988 1
1 189 . 20 1 1 A 24 24 ILE CB C 24 40.620 38.534 2.086 1
1 193 . 20 1 1 A 24 24 ILE N N 24 129.205 127.276 1.929 1
1 194 . 20 1 1 A 25 25 PRO HA H 25 5.179 5.083 0.096 1
1 201 . 20 1 1 A 25 25 PRO C C 25 176.750 176.141 0.609 1
1 202 . 20 1 1 A 25 25 PRO CA C 25 61.740 62.489 -0.749 1
1 203 . 20 1 1 A 25 25 PRO CB C 25 32.010 31.720 0.290 1
1 206 . 20 1 1 A 26 26 LEU H H 26 8.720 8.718 0.002 1
1 207 . 20 1 1 A 26 26 LEU HA H 26 4.731 4.956 -0.225 1
1 217 . 20 1 1 A 26 26 LEU C C 26 175.450 175.140 0.310 1
1 218 . 20 1 1 A 26 26 LEU CA C 26 54.731 52.968 1.763 1
1 219 . 20 1 1 A 26 26 LEU CB C 26 47.766 46.282 1.484 1
1 223 . 20 1 1 A 26 26 LEU N N 26 122.986 124.214 -1.228 1
1 224 . 20 1 1 A 27 27 SER H H 27 8.404 8.941 -0.537 1
1 225 . 20 1 1 A 27 27 SER HA H 27 5.504 5.744 -0.240 1
1 228 . 20 1 1 A 27 27 SER C C 27 174.498 173.121 1.377 1
1 229 . 20 1 1 A 27 27 SER CA C 27 57.000 56.929 0.071 1
1 230 . 20 1 1 A 27 27 SER CB C 27 63.850 64.850 -1.000 1
1 231 . 20 1 1 A 27 27 SER N N 27 118.151 115.197 2.954 1
1 232 . 20 1 1 A 28 28 VAL H H 28 8.743 8.757 -0.014 1
1 233 . 20 1 1 A 28 28 VAL HA H 28 4.792 5.097 -0.305 1
1 241 . 20 1 1 A 28 28 VAL C C 28 174.250 174.505 -0.255 1
1 242 . 20 1 1 A 28 28 VAL CA C 28 58.792 58.949 -0.157 1
1 243 . 20 1 1 A 28 28 VAL CB C 28 36.600 35.364 1.236 1
1 246 . 20 1 1 A 28 28 VAL N N 28 118.097 121.294 -3.197 1
1 247 . 20 1 1 A 29 29 SER H H 29 8.694 8.717 -0.023 1
1 248 . 20 1 1 A 29 29 SER HA H 29 4.960 5.190 -0.230 1
1 251 . 20 1 1 A 29 29 SER C C 29 175.159 174.567 0.592 1
1 252 . 20 1 1 A 29 29 SER CA C 29 55.925 56.302 -0.377 1
1 253 . 20 1 1 A 29 29 SER CB C 29 64.080 63.301 0.779 1
1 254 . 20 1 1 A 29 29 SER N N 29 116.965 115.866 1.099 1
1 255 . 20 1 1 A 30 30 PRO HA H 30 4.277 4.431 -0.154 1
1 262 . 20 1 1 A 30 30 PRO C C 30 175.705 177.371 -1.666 1
1 263 . 20 1 1 A 30 30 PRO CA C 30 64.825 64.546 0.279 1
1 264 . 20 1 1 A 30 30 PRO CB C 30 32.074 31.798 0.276 1
1 267 . 20 1 1 A 31 31 ASP H H 31 7.818 8.727 -0.909 1
1 268 . 20 1 1 A 31 31 ASP HA H 31 4.725 4.510 0.215 1
1 271 . 20 1 1 A 31 31 ASP C C 31 175.040 176.294 -1.254 1
1 272 . 20 1 1 A 31 31 ASP CA C 31 54.160 55.582 -1.422 1
1 273 . 20 1 1 A 31 31 ASP CB C 31 41.590 40.716 0.874 1
1 274 . 20 1 1 A 31 31 ASP N N 31 114.503 117.961 -3.458 1
1 275 . 20 1 1 A 32 32 CYS H H 32 7.657 7.506 0.151 1
1 276 . 20 1 1 A 32 32 CYS HA H 32 4.483 4.703 -0.220 1
1 279 . 20 1 1 A 32 32 CYS C C 32 174.805 175.038 -0.233 1
1 280 . 20 1 1 A 32 32 CYS CA C 32 59.510 58.647 0.863 1
1 281 . 20 1 1 A 32 32 CYS CB C 32 28.010 29.100 -1.090 1
1 282 . 20 1 1 A 32 32 CYS N N 32 119.852 118.574 1.278 1
1 283 . 20 1 1 A 33 33 THR H H 33 8.992 8.763 0.229 1
1 284 . 20 1 1 A 33 33 THR HA H 33 4.861 4.720 0.141 1
1 289 . 20 1 1 A 33 33 THR C C 33 176.350 176.101 0.249 1
1 290 . 20 1 1 A 33 33 THR CA C 33 61.165 61.052 0.113 1
1 291 . 20 1 1 A 33 33 THR CB C 33 71.968 70.567 1.401 1
1 293 . 20 1 1 A 33 33 THR N N 33 115.278 114.657 0.621 1
1 294 . 20 1 1 A 34 34 VAL H H 34 8.558 9.049 -0.491 1
1 295 . 20 1 1 A 34 34 VAL HA H 34 3.384 3.794 -0.410 1
1 303 . 20 1 1 A 34 34 VAL C C 34 177.880 177.618 0.262 1
1 304 . 20 1 1 A 34 34 VAL CA C 34 67.050 65.426 1.624 1
1 305 . 20 1 1 A 34 34 VAL CB C 34 31.303 31.431 -0.128 1
1 308 . 20 1 1 A 34 34 VAL N N 34 123.274 120.209 3.065 1
1 309 . 20 1 1 A 35 35 LYS H H 35 8.316 7.682 0.634 1
1 310 . 20 1 1 A 35 35 LYS HA H 35 3.758 3.921 -0.163 1
1 319 . 20 1 1 A 35 35 LYS C C 35 178.180 177.966 0.214 1
1 320 . 20 1 1 A 35 35 LYS CA C 35 60.812 58.855 1.957 1
1 321 . 20 1 1 A 35 35 LYS CB C 35 32.610 31.999 0.611 1
1 325 . 20 1 1 A 35 35 LYS N N 35 119.813 120.785 -0.972 1
1 326 . 20 1 1 A 36 36 ASP H H 36 7.959 7.911 0.048 1
1 327 . 20 1 1 A 36 36 ASP HA H 36 4.414 4.414 0.000 1
1 330 . 20 1 1 A 36 36 ASP C C 36 179.395 178.589 0.806 1
1 331 . 20 1 1 A 36 36 ASP CA C 36 57.360 56.849 0.511 1
1 332 . 20 1 1 A 36 36 ASP CB C 36 40.350 41.277 -0.927 1
1 333 . 20 1 1 A 36 36 ASP N N 36 120.728 119.793 0.935 1
1 334 . 20 1 1 A 37 37 LEU H H 37 8.147 8.276 -0.129 1
1 335 . 20 1 1 A 37 37 LEU HA H 37 3.976 3.958 0.018 1
1 345 . 20 1 1 A 37 37 LEU C C 37 178.630 179.329 -0.699 1
1 346 . 20 1 1 A 37 37 LEU CA C 37 58.210 57.843 0.367 1
1 347 . 20 1 1 A 37 37 LEU CB C 37 41.470 41.618 -0.148 1
1 351 . 20 1 1 A 37 37 LEU N N 37 123.841 119.257 4.584 1
1 352 . 20 1 1 A 38 38 LYS H H 38 8.308 7.897 0.411 1
1 353 . 20 1 1 A 38 38 LYS HA H 38 4.505 4.165 0.340 1
1 362 . 20 1 1 A 38 38 LYS C C 38 180.780 179.556 1.224 1
1 363 . 20 1 1 A 38 38 LYS CA C 38 59.910 59.221 0.689 1
1 364 . 20 1 1 A 38 38 LYS CB C 38 34.270 31.862 2.408 1
1 368 . 20 1 1 A 38 38 LYS N N 38 117.736 119.117 -1.381 1
1 369 . 20 1 1 A 39 39 SER H H 39 7.952 7.787 0.165 1
1 370 . 20 1 1 A 39 39 SER HA H 39 4.230 4.167 0.063 1
1 373 . 20 1 1 A 39 39 SER C C 39 177.240 175.849 1.391 1
1 374 . 20 1 1 A 39 39 SER CA C 39 62.440 61.011 1.429 1
1 375 . 20 1 1 A 39 39 SER CB C 39 62.670 63.202 -0.532 1
1 376 . 20 1 1 A 39 39 SER N N 39 115.100 114.790 0.310 1
1 377 . 20 1 1 A 40 40 GLN H H 40 7.899 7.591 0.308 1
1 378 . 20 1 1 A 40 40 GLN HA H 40 4.125 4.285 -0.160 1
1 385 . 20 1 1 A 40 40 GLN C C 40 178.330 177.734 0.596 1
1 386 . 20 1 1 A 40 40 GLN CA C 40 59.045 57.636 1.409 1
1 387 . 20 1 1 A 40 40 GLN CB C 40 28.893 29.506 -0.613 1
1 389 . 20 1 1 A 40 40 GLN N N 40 121.600 119.791 1.809 1
1 391 . 20 1 1 A 41 41 LEU H H 41 8.010 8.418 -0.408 1
1 392 . 20 1 1 A 41 41 LEU HA H 41 4.130 4.101 0.029 1
1 402 . 20 1 1 A 41 41 LEU C C 41 179.980 178.877 1.103 1
1 403 . 20 1 1 A 41 41 LEU CA C 41 56.472 56.063 0.409 1
1 404 . 20 1 1 A 41 41 LEU CB C 41 42.660 41.999 0.661 1
1 408 . 20 1 1 A 41 41 LEU N N 41 116.657 119.154 -2.497 1
1 409 . 20 1 1 A 42 42 GLN H H 42 7.903 8.130 -0.227 1
1 410 . 20 1 1 A 42 42 GLN HA H 42 4.180 4.117 0.063 1
1 417 . 20 1 1 A 42 42 GLN C C 42 174.350 174.594 -0.244 1
1 418 . 20 1 1 A 42 42 GLN CA C 42 61.300 60.859 0.441 1
1 419 . 20 1 1 A 42 42 GLN CB C 42 25.250 26.264 -1.014 1
1 421 . 20 1 1 A 42 42 GLN N N 42 125.104 120.843 4.261 1
1 423 . 20 1 1 A 43 43 PRO HA H 43 4.410 4.402 0.008 1
1 430 . 20 1 1 A 43 43 PRO C C 43 177.270 178.170 -0.900 1
1 431 . 20 1 1 A 43 43 PRO CA C 43 65.130 64.886 0.244 1
1 432 . 20 1 1 A 43 43 PRO CB C 43 31.208 31.309 -0.101 1
1 435 . 20 1 1 A 44 44 ILE H H 44 6.568 7.610 -1.042 1
1 436 . 20 1 1 A 44 44 ILE HA H 44 3.959 3.961 -0.002 1
1 446 . 20 1 1 A 44 44 ILE C C 44 177.060 177.747 -0.687 1
1 447 . 20 1 1 A 44 44 ILE CA C 44 63.670 63.460 0.210 1
1 448 . 20 1 1 A 44 44 ILE CB C 44 40.270 38.827 1.443 1
1 452 . 20 1 1 A 44 44 ILE N N 44 114.765 116.607 -1.842 1
1 453 . 20 1 1 A 45 45 THR H H 45 7.826 8.070 -0.244 1
1 454 . 20 1 1 A 45 45 THR HA H 45 4.202 4.450 -0.248 1
1 459 . 20 1 1 A 45 45 THR C C 45 174.990 175.567 -0.577 1
1 460 . 20 1 1 A 45 45 THR CA C 45 62.696 61.659 1.037 1
1 461 . 20 1 1 A 45 45 THR CB C 45 71.682 70.574 1.108 1
1 463 . 20 1 1 A 45 45 THR N N 45 107.323 109.065 -1.742 1
1 464 . 20 1 1 A 46 46 ASN H H 46 8.660 8.173 0.487 1
1 465 . 20 1 1 A 46 46 ASN HA H 46 4.381 4.555 -0.174 1
1 470 . 20 1 1 A 46 46 ASN C C 46 173.900 173.298 0.602 1
1 471 . 20 1 1 A 46 46 ASN CA C 46 54.890 54.503 0.387 1
1 472 . 20 1 1 A 46 46 ASN CB C 46 38.207 37.362 0.845 1
1 473 . 20 1 1 A 46 46 ASN N N 46 117.586 116.260 1.326 1
1 475 . 20 1 1 A 47 47 VAL H H 47 7.517 7.341 0.176 1
1 476 . 20 1 1 A 47 47 VAL HA H 47 4.134 4.460 -0.326 1
1 484 . 20 1 1 A 47 47 VAL C C 47 176.140 175.142 0.998 1
1 485 . 20 1 1 A 47 47 VAL CA C 47 61.763 60.270 1.493 1
1 486 . 20 1 1 A 47 47 VAL CB C 47 32.925 34.104 -1.179 1
1 489 . 20 1 1 A 47 47 VAL N N 47 119.901 118.983 0.918 1
1 490 . 20 1 1 A 48 48 LEU H H 48 8.650 8.492 0.158 1
1 491 . 20 1 1 A 48 48 LEU HA H 48 4.194 4.371 -0.177 1
1 501 . 20 1 1 A 48 48 LEU C C 48 177.110 177.006 0.104 1
1 502 . 20 1 1 A 48 48 LEU CA C 48 54.491 53.604 0.887 1
1 503 . 20 1 1 A 48 48 LEU CB C 48 41.171 41.508 -0.337 1
1 507 . 20 1 1 A 48 48 LEU N N 48 128.467 126.489 1.978 1
1 508 . 20 1 1 A 49 49 PRO HA H 49 3.923 4.225 -0.302 1
1 515 . 20 1 1 A 49 49 PRO C C 49 178.430 177.944 0.486 1
1 516 . 20 1 1 A 49 49 PRO CA C 49 67.000 65.071 1.929 1
1 517 . 20 1 1 A 49 49 PRO CB C 49 32.456 31.946 0.510 1
1 520 . 20 1 1 A 50 50 ARG H H 50 8.331 8.190 0.141 1
1 521 . 20 1 1 A 50 50 ARG HA H 50 4.239 4.017 0.222 1
1 528 . 20 1 1 A 50 50 ARG C C 50 176.940 178.728 -1.788 1
1 529 . 20 1 1 A 50 50 ARG CA C 50 58.130 59.557 -1.427 1
1 530 . 20 1 1 A 50 50 ARG CB C 50 29.200 29.674 -0.474 1
1 533 . 20 1 1 A 50 50 ARG N N 50 114.500 118.380 -3.880 1
1 534 . 20 1 1 A 51 51 GLY H H 51 8.199 7.879 0.320 1
1 535 . 20 1 1 A 51 51 GLY HA2 H 51 3.605 3.931 -0.326 1
1 536 . 20 1 1 A 51 51 GLY HA3 H 51 4.335 3.939 0.396 1
1 537 . 20 1 1 A 51 51 GLY C C 51 173.340 174.843 -1.503 1
1 538 . 20 1 1 A 51 51 GLY CA C 51 44.750 46.553 -1.803 1
1 539 . 20 1 1 A 51 51 GLY N N 51 107.942 107.120 0.822 1
1 540 . 20 1 1 A 52 52 GLN H H 52 7.475 7.656 -0.181 1
1 541 . 20 1 1 A 52 52 GLN HA H 52 4.315 4.484 -0.169 1
1 548 . 20 1 1 A 52 52 GLN C C 52 175.770 174.703 1.067 1
1 549 . 20 1 1 A 52 52 GLN CA C 52 56.023 55.076 0.947 1
1 550 . 20 1 1 A 52 52 GLN CB C 52 31.494 27.066 4.428 1
1 552 . 20 1 1 A 52 52 GLN N N 52 119.769 118.954 0.815 1
1 554 . 20 1 1 A 53 53 LYS H H 53 8.586 8.679 -0.093 1
1 555 . 20 1 1 A 53 53 LYS HA H 53 4.500 4.667 -0.167 1
1 564 . 20 1 1 A 53 53 LYS C C 53 174.080 175.298 -1.218 1
1 565 . 20 1 1 A 53 53 LYS CA C 53 55.950 55.561 0.389 1
1 566 . 20 1 1 A 53 53 LYS CB C 53 34.690 32.667 2.023 1
1 570 . 20 1 1 A 53 53 LYS N N 53 123.759 124.797 -1.038 1
1 571 . 20 1 1 A 54 54 LEU H H 54 8.900 8.880 0.020 1
1 572 . 20 1 1 A 54 54 LEU HA H 54 5.271 4.622 0.649 1
1 582 . 20 1 1 A 54 54 LEU C C 54 174.940 175.985 -1.045 1
1 583 . 20 1 1 A 54 54 LEU CA C 54 53.250 54.422 -1.172 1
1 584 . 20 1 1 A 54 54 LEU CB C 54 45.042 41.420 3.622 1
1 588 . 20 1 1 A 54 54 LEU N N 54 126.200 126.286 -0.086 1
1 589 . 20 1 1 A 55 55 ILE H H 55 9.330 8.857 0.473 1
1 590 . 20 1 1 A 55 55 ILE HA H 55 4.886 5.200 -0.314 1
1 600 . 20 1 1 A 55 55 ILE C C 55 175.623 174.453 1.170 1
1 601 . 20 1 1 A 55 55 ILE CA C 55 59.402 60.139 -0.737 1
1 602 . 20 1 1 A 55 55 ILE CB C 55 40.270 41.040 -0.770 1
1 606 . 20 1 1 A 55 55 ILE N N 55 123.589 124.626 -1.037 1
1 607 . 20 1 1 A 56 56 PHE H H 56 9.241 9.372 -0.131 1
1 608 . 20 1 1 A 56 56 PHE HA H 56 5.212 4.949 0.263 1
1 615 . 20 1 1 A 56 56 PHE C C 56 174.600 174.802 -0.202 1
1 616 . 20 1 1 A 56 56 PHE CA C 56 55.936 57.321 -1.385 1
1 617 . 20 1 1 A 56 56 PHE CB C 56 42.830 42.355 0.475 1
1 622 . 20 1 1 A 56 56 PHE N N 56 127.423 126.878 0.545 1
1 625 . 20 1 1 A 57 57 LYS H H 57 9.307 9.482 -0.175 1
1 626 . 20 1 1 A 57 57 LYS HA H 57 3.630 3.643 -0.013 1
1 635 . 20 1 1 A 57 57 LYS C C 57 176.620 176.588 0.032 1
1 636 . 20 1 1 A 57 57 LYS CA C 57 57.495 57.096 0.399 1
1 637 . 20 1 1 A 57 57 LYS CB C 57 30.100 29.864 0.236 1
1 641 . 20 1 1 A 57 57 LYS N N 57 128.612 128.162 0.450 1
1 642 . 20 1 1 A 58 58 GLY H H 58 8.288 8.541 -0.253 1
1 643 . 20 1 1 A 58 58 GLY HA2 H 58 3.487 3.826 -0.339 1
1 644 . 20 1 1 A 58 58 GLY HA3 H 58 4.098 3.845 0.253 1
1 645 . 20 1 1 A 58 58 GLY C C 58 173.568 173.591 -0.023 1
1 646 . 20 1 1 A 58 58 GLY CA C 58 45.475 45.374 0.101 1
1 647 . 20 1 1 A 58 58 GLY N N 58 102.757 105.218 -2.461 1
1 648 . 20 1 1 A 59 59 LYS H H 59 7.900 7.907 -0.007 1
1 649 . 20 1 1 A 59 59 LYS HA H 59 4.667 4.669 -0.002 1
1 658 . 20 1 1 A 59 59 LYS C C 59 174.830 175.762 -0.932 1
1 659 . 20 1 1 A 59 59 LYS CA C 59 55.222 54.811 0.411 1
1 660 . 20 1 1 A 59 59 LYS CB C 59 35.010 34.624 0.386 1
1 664 . 20 1 1 A 59 59 LYS N N 59 121.753 121.489 0.264 1
1 665 . 20 1 1 A 60 60 VAL H H 60 8.587 8.616 -0.029 1
1 666 . 20 1 1 A 60 60 VAL HA H 60 4.209 4.323 -0.114 1
1 674 . 20 1 1 A 60 60 VAL C C 60 177.380 176.087 1.293 1
1 675 . 20 1 1 A 60 60 VAL CA C 60 63.080 62.579 0.501 1
1 676 . 20 1 1 A 60 60 VAL CB C 60 32.101 32.805 -0.704 1
1 679 . 20 1 1 A 60 60 VAL N N 60 123.795 127.001 -3.206 1
1 680 . 20 1 1 A 61 61 LEU H H 61 8.876 8.713 0.163 1
1 681 . 20 1 1 A 61 61 LEU HA H 61 4.430 4.439 -0.009 1
1 691 . 20 1 1 A 61 61 LEU C C 61 176.660 176.980 -0.320 1
1 692 . 20 1 1 A 61 61 LEU CA C 61 54.760 54.489 0.271 1
1 693 . 20 1 1 A 61 61 LEU CB C 61 43.060 42.288 0.772 1
1 697 . 20 1 1 A 61 61 LEU N N 61 129.083 129.496 -0.413 1
1 698 . 20 1 1 A 62 62 VAL H H 62 8.759 8.684 0.075 1
1 699 . 20 1 1 A 62 62 VAL HA H 62 3.989 3.959 0.030 1
1 707 . 20 1 1 A 62 62 VAL C C 62 178.390 176.039 2.351 1
1 708 . 20 1 1 A 62 62 VAL CA C 62 63.077 63.632 -0.555 1
1 709 . 20 1 1 A 62 62 VAL CB C 62 32.440 31.707 0.733 1
1 712 . 20 1 1 A 62 62 VAL N N 62 124.193 124.403 -0.210 1
1 713 . 20 1 1 A 63 63 GLU H H 63 8.806 8.681 0.125 1
1 714 . 20 1 1 A 63 63 GLU HA H 63 3.757 4.005 -0.248 1
1 719 . 20 1 1 A 63 63 GLU C C 63 176.500 177.936 -1.436 1
1 720 . 20 1 1 A 63 63 GLU CA C 63 60.509 59.602 0.907 1
1 721 . 20 1 1 A 63 63 GLU CB C 63 30.580 29.336 1.244 1
1 723 . 20 1 1 A 63 63 GLU N N 63 125.296 126.335 -1.039 1
1 724 . 20 1 1 A 64 64 THR H H 64 7.100 7.605 -0.505 1
1 725 . 20 1 1 A 64 64 THR HA H 64 4.279 4.258 0.021 1
1 730 . 20 1 1 A 64 64 THR C C 64 175.290 174.921 0.369 1
1 731 . 20 1 1 A 64 64 THR CA C 64 61.466 62.586 -1.120 1
1 732 . 20 1 1 A 64 64 THR CB C 64 68.840 69.431 -0.591 1
1 734 . 20 1 1 A 64 64 THR N N 64 102.822 110.287 -7.465 1
1 735 . 20 1 1 A 65 65 SER H H 65 7.749 8.039 -0.290 1
1 736 . 20 1 1 A 65 65 SER HA H 65 4.676 4.697 -0.021 1
1 739 . 20 1 1 A 65 65 SER C C 65 174.300 174.185 0.115 1
1 740 . 20 1 1 A 65 65 SER CA C 65 58.060 58.224 -0.164 1
1 741 . 20 1 1 A 65 65 SER CB C 65 64.950 64.421 0.529 1
1 742 . 20 1 1 A 65 65 SER N N 65 117.966 118.581 -0.615 1
1 743 . 20 1 1 A 66 66 THR H H 66 8.512 8.522 -0.010 1
1 744 . 20 1 1 A 66 66 THR HA H 66 5.032 4.925 0.107 1
1 750 . 20 1 1 A 66 66 THR C C 66 177.300 176.480 0.820 1
1 751 . 20 1 1 A 66 66 THR CA C 66 60.200 59.770 0.430 1
1 752 . 20 1 1 A 66 66 THR CB C 66 71.550 72.033 -0.483 1
1 754 . 20 1 1 A 66 66 THR N N 66 111.490 113.611 -2.121 1
1 755 . 20 1 1 A 67 67 LEU H H 67 8.451 8.747 -0.296 1
1 756 . 20 1 1 A 67 67 LEU HA H 67 3.753 3.910 -0.157 1
1 766 . 20 1 1 A 67 67 LEU C C 67 179.170 178.958 0.212 1
1 767 . 20 1 1 A 67 67 LEU CA C 67 59.234 58.229 1.005 1
1 768 . 20 1 1 A 67 67 LEU CB C 67 38.897 41.446 -2.549 1
1 772 . 20 1 1 A 67 67 LEU N N 67 122.302 122.442 -0.140 1
1 773 . 20 1 1 A 68 68 LYS H H 68 8.313 8.130 0.183 1
1 774 . 20 1 1 A 68 68 LYS HA H 68 4.090 3.900 0.190 1
1 783 . 20 1 1 A 68 68 LYS C C 68 180.950 178.788 2.162 1
1 784 . 20 1 1 A 68 68 LYS CA C 68 59.620 59.681 -0.061 1
1 785 . 20 1 1 A 68 68 LYS CB C 68 32.490 32.397 0.093 1
1 789 . 20 1 1 A 68 68 LYS N N 68 120.066 120.631 -0.565 1
1 790 . 20 1 1 A 69 69 GLN H H 69 8.019 7.954 0.065 1
1 791 . 20 1 1 A 69 69 GLN HA H 69 4.086 4.077 0.009 1
1 798 . 20 1 1 A 69 69 GLN C C 69 177.840 177.598 0.242 1
1 799 . 20 1 1 A 69 69 GLN CA C 69 58.260 59.115 -0.855 1
1 800 . 20 1 1 A 69 69 GLN CB C 69 28.580 28.392 0.188 1
1 802 . 20 1 1 A 69 69 GLN N N 69 119.594 118.787 0.807 1
1 804 . 20 1 1 A 70 70 SER H H 70 7.544 7.758 -0.214 1
1 805 . 20 1 1 A 70 70 SER HA H 70 4.517 4.561 -0.044 1
1 808 . 20 1 1 A 70 70 SER C C 70 171.870 172.921 -1.051 1
1 809 . 20 1 1 A 70 70 SER CA C 70 58.920 58.283 0.637 1
1 810 . 20 1 1 A 70 70 SER CB C 70 64.446 63.391 1.055 1
1 811 . 20 1 1 A 70 70 SER N N 70 114.028 111.669 2.359 1
1 812 . 20 1 1 A 71 71 ASP H H 71 7.882 7.703 0.179 1
1 813 . 20 1 1 A 71 71 ASP HA H 71 4.278 4.307 -0.029 1
1 816 . 20 1 1 A 71 71 ASP C C 71 174.050 175.396 -1.346 1
1 817 . 20 1 1 A 71 71 ASP CA C 71 55.660 55.536 0.124 1
1 818 . 20 1 1 A 71 71 ASP CB C 71 39.540 39.452 0.088 1
1 819 . 20 1 1 A 71 71 ASP N N 71 116.055 118.479 -2.424 1
1 820 . 20 1 1 A 72 72 VAL H H 72 7.723 7.967 -0.244 1
1 821 . 20 1 1 A 72 72 VAL HA H 72 3.285 3.877 -0.592 1
1 829 . 20 1 1 A 72 72 VAL C C 72 173.980 175.753 -1.773 1
1 830 . 20 1 1 A 72 72 VAL CA C 72 62.744 61.618 1.126 1
1 831 . 20 1 1 A 72 72 VAL CB C 72 30.727 31.573 -0.846 1
1 834 . 20 1 1 A 72 72 VAL N N 72 119.423 118.885 0.538 1
1 835 . 20 1 1 A 73 73 GLY H H 73 7.722 8.511 -0.789 1
1 836 . 20 1 1 A 73 73 GLY HA2 H 73 3.590 4.295 -0.705 1
1 837 . 20 1 1 A 73 73 GLY HA3 H 73 4.416 4.307 0.109 1
1 838 . 20 1 1 A 73 73 GLY C C 73 172.450 172.741 -0.291 1
1 839 . 20 1 1 A 73 73 GLY CA C 73 42.820 44.361 -1.541 1
1 840 . 20 1 1 A 73 73 GLY N N 73 114.445 115.621 -1.176 1
1 841 . 20 1 1 A 74 74 SER H H 74 8.552 8.565 -0.013 1
1 842 . 20 1 1 A 74 74 SER HA H 74 4.365 4.266 0.099 1
1 845 . 20 1 1 A 74 74 SER C C 74 177.240 175.459 1.781 1
1 846 . 20 1 1 A 74 74 SER CA C 74 60.420 60.569 -0.149 1
1 847 . 20 1 1 A 74 74 SER CB C 74 63.350 62.681 0.669 1
1 848 . 20 1 1 A 74 74 SER N N 74 111.883 116.724 -4.841 1
1 849 . 20 1 1 A 75 75 GLY H H 75 9.718 8.870 0.848 1
1 850 . 20 1 1 A 75 75 GLY HA2 H 75 3.693 4.025 -0.332 1
1 851 . 20 1 1 A 75 75 GLY HA3 H 75 4.328 4.027 0.301 1
1 852 . 20 1 1 A 75 75 GLY C C 75 174.500 174.496 0.004 1
1 853 . 20 1 1 A 75 75 GLY CA C 75 44.990 45.100 -0.110 1
1 854 . 20 1 1 A 75 75 GLY N N 75 115.986 113.437 2.549 1
1 855 . 20 1 1 A 76 76 ALA H H 76 7.939 7.977 -0.038 1
1 856 . 20 1 1 A 76 76 ALA HA H 76 4.363 4.365 -0.002 1
1 860 . 20 1 1 A 76 76 ALA C C 76 176.170 176.917 -0.747 1
1 861 . 20 1 1 A 76 76 ALA CA C 76 53.372 51.895 1.477 1
1 862 . 20 1 1 A 76 76 ALA CB C 76 21.400 19.113 2.287 1
1 863 . 20 1 1 A 76 76 ALA N N 76 123.830 124.019 -0.189 1
1 864 . 20 1 1 A 77 77 LYS H H 77 8.435 8.894 -0.459 1
1 865 . 20 1 1 A 77 77 LYS HA H 77 5.195 4.826 0.369 1
1 874 . 20 1 1 A 77 77 LYS C C 77 175.450 175.822 -0.372 1
1 875 . 20 1 1 A 77 77 LYS CA C 77 54.930 55.873 -0.943 1
1 876 . 20 1 1 A 77 77 LYS CB C 77 33.520 33.092 0.428 1
1 880 . 20 1 1 A 77 77 LYS N N 77 120.636 123.652 -3.016 1
1 881 . 20 1 1 A 78 78 LEU H H 78 9.016 8.904 0.112 1
1 882 . 20 1 1 A 78 78 LEU HA H 78 5.225 4.924 0.301 1
1 892 . 20 1 1 A 78 78 LEU C C 78 175.970 176.273 -0.303 1
1 893 . 20 1 1 A 78 78 LEU CA C 78 53.700 54.438 -0.738 1
1 894 . 20 1 1 A 78 78 LEU CB C 78 45.250 42.205 3.045 1
1 898 . 20 1 1 A 78 78 LEU N N 78 123.751 126.062 -2.311 1
1 899 . 20 1 1 A 79 79 MET H H 79 8.983 8.756 0.227 1
1 900 . 20 1 1 A 79 79 MET HA H 79 5.163 5.091 0.072 1
1 905 . 20 1 1 A 79 79 MET C C 79 173.970 173.872 0.098 1
1 906 . 20 1 1 A 79 79 MET CA C 79 55.508 54.560 0.948 1
1 907 . 20 1 1 A 79 79 MET CB C 79 35.180 35.850 -0.670 1
1 909 . 20 1 1 A 79 79 MET N N 79 120.990 120.888 0.102 1
1 910 . 20 1 1 A 80 80 LEU H H 80 8.905 9.120 -0.215 1
1 911 . 20 1 1 A 80 80 LEU HA H 80 5.235 5.233 0.002 1
1 921 . 20 1 1 A 80 80 LEU C C 80 174.730 175.363 -0.633 1
1 922 . 20 1 1 A 80 80 LEU CA C 80 54.071 53.774 0.297 1
1 923 . 20 1 1 A 80 80 LEU CB C 80 43.540 44.669 -1.129 1
1 927 . 20 1 1 A 81 81 MET H H 81 9.229 9.230 -0.001 1
1 928 . 20 1 1 A 81 81 MET HA H 81 4.960 4.885 0.075 1
1 936 . 20 1 1 A 81 81 MET C C 81 174.450 175.174 -0.724 1
1 937 . 20 1 1 A 81 81 MET CA C 81 53.830 54.232 -0.402 1
1 938 . 20 1 1 A 81 81 MET CB C 81 34.810 32.660 2.150 1
1 941 . 20 1 1 A 81 81 MET N N 81 125.712 128.386 -2.674 1
1 942 . 20 1 1 A 82 82 ALA H H 82 8.891 8.554 0.337 1
1 943 . 20 1 1 A 82 82 ALA HA H 82 5.043 4.891 0.152 1
1 947 . 20 1 1 A 82 82 ALA C C 82 177.470 177.480 -0.010 1
1 948 . 20 1 1 A 82 82 ALA CA C 82 51.010 51.278 -0.268 1
1 949 . 20 1 1 A 82 82 ALA CB C 82 21.124 23.040 -1.916 1
1 950 . 20 1 1 A 82 82 ALA N N 82 126.315 129.357 -3.042 1
1 951 . 20 1 1 A 83 83 SER H H 83 8.719 8.943 -0.224 1
1 952 . 20 1 1 A 83 83 SER HA H 83 4.497 4.608 -0.111 1
1 955 . 20 1 1 A 83 83 SER C C 83 174.360 173.696 0.664 1
1 956 . 20 1 1 A 83 83 SER CA C 83 58.534 57.843 0.691 1
1 957 . 20 1 1 A 83 83 SER CB C 83 64.140 63.668 0.472 1
1 958 . 20 1 1 A 83 83 SER N N 83 117.987 113.908 4.079 1
1 959 . 20 1 1 A 84 84 GLN H H 84 8.629 7.642 0.987 1
1 960 . 20 1 1 A 84 84 GLN HA H 84 4.449 4.834 -0.385 1
1 967 . 20 1 1 A 84 84 GLN C C 84 175.370 175.267 0.103 1
1 968 . 20 1 1 A 84 84 GLN CA C 84 55.890 53.920 1.970 1
1 969 . 20 1 1 A 84 84 GLN CB C 84 29.860 32.930 -3.070 1
1 971 . 20 1 1 A 84 84 GLN N N 84 122.746 119.881 2.865 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 75 0.966 1
2 1 1 1 "RMS(OBS, PRED)" CA 75 1.007 1
3 1 1 1 "RMS(OBS, PRED)" CB 69 1.568 1
4 1 1 1 "RMS(OBS, PRED)" H 70 0.348 1
5 1 1 1 "RMS(OBS, PRED)" HA 81 0.285 1
6 1 1 1 "RMS(OBS, PRED)" N 69 2.688 1
7 1 2 1 "RMS(OBS, PRED)" C 75 1.004 1
8 1 2 1 "RMS(OBS, PRED)" CA 75 1.125 1
9 1 2 1 "RMS(OBS, PRED)" CB 69 1.550 1
10 1 2 1 "RMS(OBS, PRED)" H 70 0.466 1
11 1 2 1 "RMS(OBS, PRED)" HA 81 0.265 1
12 1 2 1 "RMS(OBS, PRED)" N 69 2.818 1
13 1 3 1 "RMS(OBS, PRED)" C 75 1.089 1
14 1 3 1 "RMS(OBS, PRED)" CA 75 1.116 1
15 1 3 1 "RMS(OBS, PRED)" CB 69 1.557 1
16 1 3 1 "RMS(OBS, PRED)" H 70 0.420 1
17 1 3 1 "RMS(OBS, PRED)" HA 81 0.303 1
18 1 3 1 "RMS(OBS, PRED)" N 69 2.848 1
19 1 4 1 "RMS(OBS, PRED)" C 75 0.938 1
20 1 4 1 "RMS(OBS, PRED)" CA 75 0.875 1
21 1 4 1 "RMS(OBS, PRED)" CB 69 1.422 1
22 1 4 1 "RMS(OBS, PRED)" H 70 0.368 1
23 1 4 1 "RMS(OBS, PRED)" HA 81 0.257 1
24 1 4 1 "RMS(OBS, PRED)" N 69 2.201 1
25 1 5 1 "RMS(OBS, PRED)" C 75 1.027 1
26 1 5 1 "RMS(OBS, PRED)" CA 75 1.096 1
27 1 5 1 "RMS(OBS, PRED)" CB 69 1.504 1
28 1 5 1 "RMS(OBS, PRED)" H 70 0.392 1
29 1 5 1 "RMS(OBS, PRED)" HA 81 0.320 1
30 1 5 1 "RMS(OBS, PRED)" N 69 2.571 1
31 1 6 1 "RMS(OBS, PRED)" C 75 1.031 1
32 1 6 1 "RMS(OBS, PRED)" CA 75 0.975 1
33 1 6 1 "RMS(OBS, PRED)" CB 69 1.715 1
34 1 6 1 "RMS(OBS, PRED)" H 70 0.417 1
35 1 6 1 "RMS(OBS, PRED)" HA 81 0.286 1
36 1 6 1 "RMS(OBS, PRED)" N 69 2.509 1
37 1 7 1 "RMS(OBS, PRED)" C 75 0.870 1
38 1 7 1 "RMS(OBS, PRED)" CA 75 0.888 1
39 1 7 1 "RMS(OBS, PRED)" CB 69 1.573 1
40 1 7 1 "RMS(OBS, PRED)" H 70 0.425 1
41 1 7 1 "RMS(OBS, PRED)" HA 81 0.284 1
42 1 7 1 "RMS(OBS, PRED)" N 69 2.393 1
43 1 8 1 "RMS(OBS, PRED)" C 75 1.092 1
44 1 8 1 "RMS(OBS, PRED)" CA 75 1.002 1
45 1 8 1 "RMS(OBS, PRED)" CB 69 1.827 1
46 1 8 1 "RMS(OBS, PRED)" H 70 0.399 1
47 1 8 1 "RMS(OBS, PRED)" HA 81 0.269 1
48 1 8 1 "RMS(OBS, PRED)" N 69 2.707 1
49 1 9 1 "RMS(OBS, PRED)" C 75 0.957 1
50 1 9 1 "RMS(OBS, PRED)" CA 75 1.039 1
51 1 9 1 "RMS(OBS, PRED)" CB 69 1.566 1
52 1 9 1 "RMS(OBS, PRED)" H 70 0.383 1
53 1 9 1 "RMS(OBS, PRED)" HA 81 0.301 1
54 1 9 1 "RMS(OBS, PRED)" N 69 2.589 1
55 1 10 1 "RMS(OBS, PRED)" C 75 0.970 1
56 1 10 1 "RMS(OBS, PRED)" CA 75 0.902 1
57 1 10 1 "RMS(OBS, PRED)" CB 69 1.303 1
58 1 10 1 "RMS(OBS, PRED)" H 70 0.379 1
59 1 10 1 "RMS(OBS, PRED)" HA 81 0.248 1
60 1 10 1 "RMS(OBS, PRED)" N 69 2.818 1
61 1 11 1 "RMS(OBS, PRED)" C 75 0.938 1
62 1 11 1 "RMS(OBS, PRED)" CA 75 0.881 1
63 1 11 1 "RMS(OBS, PRED)" CB 69 1.575 1
64 1 11 1 "RMS(OBS, PRED)" H 70 0.327 1
65 1 11 1 "RMS(OBS, PRED)" HA 81 0.276 1
66 1 11 1 "RMS(OBS, PRED)" N 69 2.646 1
67 1 12 1 "RMS(OBS, PRED)" C 75 0.959 1
68 1 12 1 "RMS(OBS, PRED)" CA 75 1.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 69 1.465 1
70 1 12 1 "RMS(OBS, PRED)" H 70 0.394 1
71 1 12 1 "RMS(OBS, PRED)" HA 81 0.274 1
72 1 12 1 "RMS(OBS, PRED)" N 69 2.533 1
73 1 13 1 "RMS(OBS, PRED)" C 75 0.952 1
74 1 13 1 "RMS(OBS, PRED)" CA 75 0.877 1
75 1 13 1 "RMS(OBS, PRED)" CB 69 1.537 1
76 1 13 1 "RMS(OBS, PRED)" H 70 0.392 1
77 1 13 1 "RMS(OBS, PRED)" HA 81 0.302 1
78 1 13 1 "RMS(OBS, PRED)" N 69 2.838 1
79 1 14 1 "RMS(OBS, PRED)" C 75 1.022 1
80 1 14 1 "RMS(OBS, PRED)" CA 75 1.149 1
81 1 14 1 "RMS(OBS, PRED)" CB 69 1.472 1
82 1 14 1 "RMS(OBS, PRED)" H 70 0.408 1
83 1 14 1 "RMS(OBS, PRED)" HA 81 0.287 1
84 1 14 1 "RMS(OBS, PRED)" N 69 2.666 1
85 1 15 1 "RMS(OBS, PRED)" C 75 1.058 1
86 1 15 1 "RMS(OBS, PRED)" CA 75 1.044 1
87 1 15 1 "RMS(OBS, PRED)" CB 69 1.562 1
88 1 15 1 "RMS(OBS, PRED)" H 70 0.389 1
89 1 15 1 "RMS(OBS, PRED)" HA 81 0.293 1
90 1 15 1 "RMS(OBS, PRED)" N 69 2.890 1
91 1 16 1 "RMS(OBS, PRED)" C 75 1.072 1
92 1 16 1 "RMS(OBS, PRED)" CA 75 1.053 1
93 1 16 1 "RMS(OBS, PRED)" CB 69 1.554 1
94 1 16 1 "RMS(OBS, PRED)" H 70 0.351 1
95 1 16 1 "RMS(OBS, PRED)" HA 81 0.298 1
96 1 16 1 "RMS(OBS, PRED)" N 69 2.615 1
97 1 17 1 "RMS(OBS, PRED)" C 75 0.865 1
98 1 17 1 "RMS(OBS, PRED)" CA 75 0.952 1
99 1 17 1 "RMS(OBS, PRED)" CB 69 1.432 1
100 1 17 1 "RMS(OBS, PRED)" H 70 0.419 1
101 1 17 1 "RMS(OBS, PRED)" HA 81 0.261 1
102 1 17 1 "RMS(OBS, PRED)" N 69 2.407 1
103 1 18 1 "RMS(OBS, PRED)" C 75 0.978 1
104 1 18 1 "RMS(OBS, PRED)" CA 75 0.898 1
105 1 18 1 "RMS(OBS, PRED)" CB 69 1.549 1
106 1 18 1 "RMS(OBS, PRED)" H 70 0.385 1
107 1 18 1 "RMS(OBS, PRED)" HA 81 0.296 1
108 1 18 1 "RMS(OBS, PRED)" N 69 2.614 1
109 1 19 1 "RMS(OBS, PRED)" C 75 0.937 1
110 1 19 1 "RMS(OBS, PRED)" CA 75 0.924 1
111 1 19 1 "RMS(OBS, PRED)" CB 69 1.405 1
112 1 19 1 "RMS(OBS, PRED)" H 70 0.421 1
113 1 19 1 "RMS(OBS, PRED)" HA 81 0.260 1
114 1 19 1 "RMS(OBS, PRED)" N 69 2.592 1
115 1 20 1 "RMS(OBS, PRED)" C 75 0.947 1
116 1 20 1 "RMS(OBS, PRED)" CA 75 0.962 1
117 1 20 1 "RMS(OBS, PRED)" CB 69 1.468 1
118 1 20 1 "RMS(OBS, PRED)" H 70 0.380 1
119 1 20 1 "RMS(OBS, PRED)" HA 81 0.270 1
120 1 20 1 "RMS(OBS, PRED)" N 69 2.602 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 1 . 1 1 A 10 10 HIS HA H 10 4.506 4.757 -0.251 2
1 4 . 1 1 A 10 10 HIS C C 10 176.040 174.616 1.424 2
1 5 . 1 1 A 10 10 HIS CA C 10 55.850 55.594 0.256 2
1 6 . 1 1 A 10 10 HIS CB C 10 33.250 30.653 2.597 2
1 7 . 1 1 A 11 11 SER H H 11 8.462 8.239 0.223 2
1 8 . 1 1 A 11 11 SER HA H 11 4.516 4.517 -0.001 2
1 10 . 1 1 A 11 11 SER C C 11 174.050 173.527 0.523 2
1 11 . 1 1 A 11 11 SER CA C 11 59.054 57.640 1.414 2
1 12 . 1 1 A 11 11 SER CB C 11 63.850 64.039 -0.189 2
1 13 . 1 1 A 11 11 SER N N 11 117.900 117.642 0.258 2
1 14 . 1 1 A 12 12 THR H H 12 7.923 8.278 -0.355 2
1 15 . 1 1 A 12 12 THR HA H 12 4.581 5.045 -0.464 2
1 20 . 1 1 A 12 12 THR C C 12 174.140 174.137 0.003 2
1 21 . 1 1 A 12 12 THR CA C 12 61.245 60.417 0.828 2
1 22 . 1 1 A 12 12 THR CB C 12 71.940 70.673 1.267 2
1 24 . 1 1 A 12 12 THR N N 12 112.783 114.106 -1.323 2
1 25 . 1 1 A 13 13 ILE H H 13 9.201 8.900 0.301 2
1 26 . 1 1 A 13 13 ILE HA H 13 4.532 4.728 -0.196 2
1 36 . 1 1 A 13 13 ILE C C 13 173.930 175.185 -1.255 2
1 37 . 1 1 A 13 13 ILE CA C 13 59.720 59.738 -0.018 2
1 38 . 1 1 A 13 13 ILE CB C 13 41.597 39.736 1.861 2
1 42 . 1 1 A 13 13 ILE N N 13 117.602 121.010 -3.408 2
1 43 . 1 1 A 14 14 LYS H H 14 8.077 8.448 -0.371 2
1 44 . 1 1 A 14 14 LYS HA H 14 5.110 4.814 0.296 2
1 53 . 1 1 A 14 14 LYS C C 14 175.360 175.419 -0.059 2
1 54 . 1 1 A 14 14 LYS CA C 14 55.200 55.926 -0.726 2
1 55 . 1 1 A 14 14 LYS CB C 14 33.130 32.930 0.200 2
1 59 . 1 1 A 14 14 LYS N N 14 122.699 123.903 -1.204 2
1 60 . 1 1 A 15 15 LEU H H 15 8.953 9.271 -0.318 2
1 61 . 1 1 A 15 15 LEU HA H 15 5.025 5.011 0.014 2
1 71 . 1 1 A 15 15 LEU C C 15 176.400 175.833 0.567 2
1 72 . 1 1 A 15 15 LEU CA C 15 53.620 53.386 0.234 2
1 73 . 1 1 A 15 15 LEU CB C 15 45.380 44.309 1.071 2
1 77 . 1 1 A 15 15 LEU N N 15 121.650 126.032 -4.382 2
1 78 . 1 1 A 16 16 THR H H 16 8.412 8.844 -0.432 2
1 79 . 1 1 A 16 16 THR HA H 16 5.075 4.942 0.133 2
1 84 . 1 1 A 16 16 THR C C 16 173.070 173.335 -0.265 2
1 85 . 1 1 A 16 16 THR CA C 16 61.380 61.840 -0.460 2
1 86 . 1 1 A 16 16 THR CB C 16 71.700 69.791 1.909 2
1 88 . 1 1 A 16 16 THR N N 16 114.701 118.690 -3.989 2
1 89 . 1 1 A 17 17 VAL H H 17 9.083 9.047 0.036 2
1 90 . 1 1 A 17 17 VAL HA H 17 4.600 4.598 0.002 2
1 98 . 1 1 A 17 17 VAL C C 17 174.570 174.824 -0.254 2
1 99 . 1 1 A 17 17 VAL CA C 17 61.005 61.310 -0.305 2
1 100 . 1 1 A 17 17 VAL CB C 17 33.600 32.763 0.837 2
1 103 . 1 1 A 17 17 VAL N N 17 125.565 127.886 -2.321 2
1 104 . 1 1 A 18 18 LYS H H 18 9.183 8.924 0.259 2
1 105 . 1 1 A 18 18 LYS HA H 18 5.156 4.999 0.157 2
1 114 . 1 1 A 18 18 LYS C C 18 175.150 175.400 -0.250 2
1 115 . 1 1 A 18 18 LYS CA C 18 54.630 55.254 -0.624 2
1 116 . 1 1 A 18 18 LYS CB C 18 33.217 32.762 0.455 2
1 120 . 1 1 A 18 18 LYS N N 18 129.200 127.717 1.483 2
1 121 . 1 1 A 19 19 PHE H H 19 8.927 9.045 -0.118 2
1 122 . 1 1 A 19 19 PHE HA H 19 5.377 4.767 0.610 2
1 129 . 1 1 A 19 19 PHE C C 19 175.850 176.129 -0.279 2
1 130 . 1 1 A 19 19 PHE CA C 19 55.330 56.974 -1.644 2
1 131 . 1 1 A 19 19 PHE CB C 19 41.690 38.238 3.452 2
1 136 . 1 1 A 19 19 PHE N N 19 126.659 125.199 1.460 2
1 139 . 1 1 A 20 20 GLY H H 20 9.275 8.712 0.563 2
1 140 . 1 1 A 20 20 GLY HA2 H 20 3.580 3.845 -0.265 2
1 141 . 1 1 A 20 20 GLY HA3 H 20 3.578 3.887 -0.309 2
1 142 . 1 1 A 20 20 GLY C C 20 175.090 175.085 0.005 2
1 143 . 1 1 A 20 20 GLY CA C 20 47.070 47.102 -0.032 2
1 144 . 1 1 A 20 20 GLY N N 20 119.629 113.689 5.940 2
1 145 . 1 1 A 21 21 GLY H H 21 8.819 8.645 0.174 2
1 146 . 1 1 A 21 21 GLY HA2 H 21 3.942 4.022 -0.080 2
1 147 . 1 1 A 21 21 GLY HA3 H 21 3.942 4.027 -0.085 2
1 148 . 1 1 A 21 21 GLY C C 21 173.890 174.154 -0.264 2
1 149 . 1 1 A 21 21 GLY CA C 21 45.290 45.274 0.016 2
1 150 . 1 1 A 21 21 GLY N N 21 111.500 110.640 0.860 2
1 151 . 1 1 A 22 22 LYS H H 22 7.975 7.759 0.216 2
1 152 . 1 1 A 22 22 LYS HA H 22 4.616 4.531 0.085 2
1 161 . 1 1 A 22 22 LYS C C 22 175.450 175.618 -0.168 2
1 162 . 1 1 A 22 22 LYS CA C 22 55.514 55.384 0.130 2
1 163 . 1 1 A 22 22 LYS CB C 22 34.790 33.370 1.420 2
1 167 . 1 1 A 22 22 LYS N N 22 121.832 120.744 1.088 2
1 168 . 1 1 A 23 23 SER H H 23 8.722 8.831 -0.109 2
1 169 . 1 1 A 23 23 SER HA H 23 4.841 5.110 -0.269 2
1 172 . 1 1 A 23 23 SER C C 23 173.910 173.313 0.597 2
1 173 . 1 1 A 23 23 SER CA C 23 58.344 57.555 0.789 2
1 174 . 1 1 A 23 23 SER CB C 23 64.237 63.979 0.258 2
1 175 . 1 1 A 23 23 SER N N 23 119.004 118.322 0.682 2
1 176 . 1 1 A 24 24 ILE H H 24 9.444 9.238 0.206 2
1 177 . 1 1 A 24 24 ILE HA H 24 4.502 4.666 -0.164 2
1 187 . 1 1 A 24 24 ILE C C 24 173.590 174.951 -1.361 2
1 188 . 1 1 A 24 24 ILE CA C 24 59.145 58.123 1.022 2
1 189 . 1 1 A 24 24 ILE CB C 24 40.620 38.736 1.884 2
1 193 . 1 1 A 24 24 ILE N N 24 129.205 127.231 1.974 2
1 194 . 1 1 A 25 25 PRO HA H 25 5.179 5.018 0.161 2
1 201 . 1 1 A 25 25 PRO C C 25 176.750 176.062 0.688 2
1 202 . 1 1 A 25 25 PRO CA C 25 61.740 62.157 -0.417 2
1 203 . 1 1 A 25 25 PRO CB C 25 32.010 31.587 0.423 2
1 206 . 1 1 A 26 26 LEU H H 26 8.720 8.909 -0.189 2
1 207 . 1 1 A 26 26 LEU HA H 26 4.731 4.941 -0.210 2
1 217 . 1 1 A 26 26 LEU C C 26 175.450 175.721 -0.271 2
1 218 . 1 1 A 26 26 LEU CA C 26 54.731 53.258 1.473 2
1 219 . 1 1 A 26 26 LEU CB C 26 47.766 45.188 2.578 2
1 223 . 1 1 A 26 26 LEU N N 26 122.986 124.686 -1.700 2
1 224 . 1 1 A 27 27 SER H H 27 8.404 8.861 -0.457 2
1 225 . 1 1 A 27 27 SER HA H 27 5.504 5.577 -0.073 2
1 228 . 1 1 A 27 27 SER C C 27 174.498 173.414 1.084 2
1 229 . 1 1 A 27 27 SER CA C 27 57.000 57.383 -0.383 2
1 230 . 1 1 A 27 27 SER CB C 27 63.850 64.656 -0.806 2
1 231 . 1 1 A 27 27 SER N N 27 118.151 117.683 0.468 2
1 232 . 1 1 A 28 28 VAL H H 28 8.743 8.682 0.061 2
1 233 . 1 1 A 28 28 VAL HA H 28 4.792 5.006 -0.214 2
1 241 . 1 1 A 28 28 VAL C C 28 174.250 174.662 -0.412 2
1 242 . 1 1 A 28 28 VAL CA C 28 58.792 59.190 -0.398 2
1 243 . 1 1 A 28 28 VAL CB C 28 36.600 35.215 1.385 2
1 246 . 1 1 A 28 28 VAL N N 28 118.097 120.731 -2.634 2
1 247 . 1 1 A 29 29 SER H H 29 8.694 8.617 0.077 2
1 248 . 1 1 A 29 29 SER HA H 29 4.960 4.805 0.155 2
1 251 . 1 1 A 29 29 SER C C 29 175.159 174.393 0.766 2
1 252 . 1 1 A 29 29 SER CA C 29 55.925 56.242 -0.317 2
1 253 . 1 1 A 29 29 SER CB C 29 64.080 63.361 0.719 2
1 254 . 1 1 A 29 29 SER N N 29 116.965 117.554 -0.589 2
1 255 . 1 1 A 30 30 PRO HA H 30 4.277 4.409 -0.132 2
1 262 . 1 1 A 30 30 PRO C C 30 175.705 177.447 -1.742 2
1 263 . 1 1 A 30 30 PRO CA C 30 64.825 64.606 0.219 2
1 264 . 1 1 A 30 30 PRO CB C 30 32.074 31.791 0.283 2
1 267 . 1 1 A 31 31 ASP H H 31 7.818 8.540 -0.722 2
1 268 . 1 1 A 31 31 ASP HA H 31 4.725 4.512 0.213 2
1 271 . 1 1 A 31 31 ASP C C 31 175.040 176.545 -1.505 2
1 272 . 1 1 A 31 31 ASP CA C 31 54.160 55.360 -1.200 2
1 273 . 1 1 A 31 31 ASP CB C 31 41.590 41.020 0.570 2
1 274 . 1 1 A 31 31 ASP N N 31 114.503 117.665 -3.162 2
1 275 . 1 1 A 32 32 CYS H H 32 7.657 7.521 0.136 2
1 276 . 1 1 A 32 32 CYS HA H 32 4.483 4.664 -0.181 2
1 279 . 1 1 A 32 32 CYS C C 32 174.805 174.966 -0.161 2
1 280 . 1 1 A 32 32 CYS CA C 32 59.510 58.839 0.671 2
1 281 . 1 1 A 32 32 CYS CB C 32 28.010 28.736 -0.726 2
1 282 . 1 1 A 32 32 CYS N N 32 119.852 118.726 1.126 2
1 283 . 1 1 A 33 33 THR H H 33 8.992 8.691 0.301 2
1 284 . 1 1 A 33 33 THR HA H 33 4.861 4.776 0.085 2
1 289 . 1 1 A 33 33 THR C C 33 176.350 176.214 0.136 2
1 290 . 1 1 A 33 33 THR CA C 33 61.165 60.657 0.508 2
1 291 . 1 1 A 33 33 THR CB C 33 71.968 71.121 0.847 2
1 293 . 1 1 A 33 33 THR N N 33 115.278 114.228 1.050 2
1 294 . 1 1 A 34 34 VAL H H 34 8.558 8.736 -0.178 2
1 295 . 1 1 A 34 34 VAL HA H 34 3.384 3.834 -0.450 2
1 303 . 1 1 A 34 34 VAL C C 34 177.880 177.654 0.226 2
1 304 . 1 1 A 34 34 VAL CA C 34 67.050 65.333 1.717 2
1 305 . 1 1 A 34 34 VAL CB C 34 31.303 31.458 -0.155 2
1 308 . 1 1 A 34 34 VAL N N 34 123.274 119.869 3.405 2
1 309 . 1 1 A 35 35 LYS H H 35 8.316 7.870 0.446 2
1 310 . 1 1 A 35 35 LYS HA H 35 3.758 3.940 -0.182 2
1 319 . 1 1 A 35 35 LYS C C 35 178.180 178.224 -0.044 2
1 320 . 1 1 A 35 35 LYS CA C 35 60.812 59.190 1.622 2
1 321 . 1 1 A 35 35 LYS CB C 35 32.610 32.052 0.558 2
1 325 . 1 1 A 35 35 LYS N N 35 119.813 120.993 -1.180 2
1 326 . 1 1 A 36 36 ASP H H 36 7.959 8.143 -0.184 2
1 327 . 1 1 A 36 36 ASP HA H 36 4.414 4.360 0.054 2
1 330 . 1 1 A 36 36 ASP C C 36 179.395 178.625 0.770 2
1 331 . 1 1 A 36 36 ASP CA C 36 57.360 57.473 -0.113 2
1 332 . 1 1 A 36 36 ASP CB C 36 40.350 41.802 -1.452 2
1 333 . 1 1 A 36 36 ASP N N 36 120.728 119.841 0.887 2
1 334 . 1 1 A 37 37 LEU H H 37 8.147 8.163 -0.016 2
1 335 . 1 1 A 37 37 LEU HA H 37 3.976 3.958 0.018 2
1 345 . 1 1 A 37 37 LEU C C 37 178.630 179.303 -0.673 2
1 346 . 1 1 A 37 37 LEU CA C 37 58.210 57.962 0.248 2
1 347 . 1 1 A 37 37 LEU CB C 37 41.470 41.612 -0.142 2
1 351 . 1 1 A 37 37 LEU N N 37 123.841 119.834 4.007 2
1 352 . 1 1 A 38 38 LYS H H 38 8.308 8.000 0.308 2
1 353 . 1 1 A 38 38 LYS HA H 38 4.505 4.156 0.349 2
1 362 . 1 1 A 38 38 LYS C C 38 180.780 179.301 1.479 2
1 363 . 1 1 A 38 38 LYS CA C 38 59.910 59.390 0.520 2
1 364 . 1 1 A 38 38 LYS CB C 38 34.270 32.070 2.200 2
1 368 . 1 1 A 38 38 LYS N N 38 117.736 118.296 -0.560 2
1 369 . 1 1 A 39 39 SER H H 39 7.952 7.833 0.119 2
1 370 . 1 1 A 39 39 SER HA H 39 4.230 4.291 -0.061 2
1 373 . 1 1 A 39 39 SER C C 39 177.240 176.560 0.680 2
1 374 . 1 1 A 39 39 SER CA C 39 62.440 61.109 1.331 2
1 375 . 1 1 A 39 39 SER CB C 39 62.670 63.034 -0.364 2
1 376 . 1 1 A 39 39 SER N N 39 115.100 115.090 0.010 2
1 377 . 1 1 A 40 40 GLN H H 40 7.899 7.435 0.464 2
1 378 . 1 1 A 40 40 GLN HA H 40 4.125 4.226 -0.101 2
1 385 . 1 1 A 40 40 GLN C C 40 178.330 178.602 -0.272 2
1 386 . 1 1 A 40 40 GLN CA C 40 59.045 58.290 0.755 2
1 387 . 1 1 A 40 40 GLN CB C 40 28.893 28.821 0.072 2
1 389 . 1 1 A 40 40 GLN N N 40 121.600 120.986 0.614 2
1 391 . 1 1 A 41 41 LEU H H 41 8.010 8.517 -0.507 2
1 392 . 1 1 A 41 41 LEU HA H 41 4.130 4.123 0.007 2
1 402 . 1 1 A 41 41 LEU C C 41 179.980 179.008 0.972 2
1 403 . 1 1 A 41 41 LEU CA C 41 56.472 57.039 -0.567 2
1 404 . 1 1 A 41 41 LEU CB C 41 42.660 41.518 1.142 2
1 408 . 1 1 A 41 41 LEU N N 41 116.657 119.731 -3.074 2
1 409 . 1 1 A 42 42 GLN H H 42 7.903 8.171 -0.268 2
1 410 . 1 1 A 42 42 GLN HA H 42 4.180 4.180 0.000 2
1 417 . 1 1 A 42 42 GLN C C 42 174.350 174.532 -0.182 2
1 418 . 1 1 A 42 42 GLN CA C 42 61.300 60.900 0.400 2
1 419 . 1 1 A 42 42 GLN CB C 42 25.250 26.538 -1.288 2
1 421 . 1 1 A 42 42 GLN N N 42 125.104 120.165 4.939 2
1 423 . 1 1 A 43 43 PRO HA H 43 4.410 4.410 -0.000 2
1 430 . 1 1 A 43 43 PRO C C 43 177.270 178.166 -0.896 2
1 431 . 1 1 A 43 43 PRO CA C 43 65.130 64.955 0.175 2
1 432 . 1 1 A 43 43 PRO CB C 43 31.208 31.340 -0.132 2
1 435 . 1 1 A 44 44 ILE H H 44 6.568 7.675 -1.107 2
1 436 . 1 1 A 44 44 ILE HA H 44 3.959 4.002 -0.043 2
1 446 . 1 1 A 44 44 ILE C C 44 177.060 177.706 -0.646 2
1 447 . 1 1 A 44 44 ILE CA C 44 63.670 63.217 0.453 2
1 448 . 1 1 A 44 44 ILE CB C 44 40.270 38.696 1.574 2
1 452 . 1 1 A 44 44 ILE N N 44 114.765 116.657 -1.892 2
1 453 . 1 1 A 45 45 THR H H 45 7.826 8.071 -0.245 2
1 454 . 1 1 A 45 45 THR HA H 45 4.202 4.294 -0.092 2
1 459 . 1 1 A 45 45 THR C C 45 174.990 174.934 0.056 2
1 460 . 1 1 A 45 45 THR CA C 45 62.696 61.708 0.988 2
1 461 . 1 1 A 45 45 THR CB C 45 71.682 69.822 1.860 2
1 463 . 1 1 A 45 45 THR N N 45 107.323 109.688 -2.365 2
1 464 . 1 1 A 46 46 ASN H H 46 8.660 8.041 0.619 2
1 465 . 1 1 A 46 46 ASN HA H 46 4.381 4.537 -0.156 2
1 470 . 1 1 A 46 46 ASN C C 46 173.900 173.719 0.181 2
1 471 . 1 1 A 46 46 ASN CA C 46 54.890 54.527 0.363 2
1 472 . 1 1 A 46 46 ASN CB C 46 38.207 37.106 1.101 2
1 473 . 1 1 A 46 46 ASN N N 46 117.586 116.391 1.195 2
1 475 . 1 1 A 47 47 VAL H H 47 7.517 7.644 -0.127 2
1 476 . 1 1 A 47 47 VAL HA H 47 4.134 4.439 -0.305 2
1 484 . 1 1 A 47 47 VAL C C 47 176.140 175.046 1.094 2
1 485 . 1 1 A 47 47 VAL CA C 47 61.763 60.960 0.803 2
1 486 . 1 1 A 47 47 VAL CB C 47 32.925 33.493 -0.568 2
1 489 . 1 1 A 47 47 VAL N N 47 119.901 119.013 0.888 2
1 490 . 1 1 A 48 48 LEU H H 48 8.650 8.547 0.103 2
1 491 . 1 1 A 48 48 LEU HA H 48 4.194 4.412 -0.218 2
1 501 . 1 1 A 48 48 LEU C C 48 177.110 177.134 -0.024 2
1 502 . 1 1 A 48 48 LEU CA C 48 54.491 53.568 0.923 2
1 503 . 1 1 A 48 48 LEU CB C 48 41.171 41.502 -0.331 2
1 507 . 1 1 A 48 48 LEU N N 48 128.467 127.719 0.748 2
1 508 . 1 1 A 49 49 PRO HA H 49 3.923 4.285 -0.362 2
1 515 . 1 1 A 49 49 PRO C C 49 178.430 178.006 0.424 2
1 516 . 1 1 A 49 49 PRO CA C 49 67.000 65.176 1.824 2
1 517 . 1 1 A 49 49 PRO CB C 49 32.456 31.980 0.476 2
1 520 . 1 1 A 50 50 ARG H H 50 8.331 8.190 0.141 2
1 521 . 1 1 A 50 50 ARG HA H 50 4.239 4.052 0.187 2
1 528 . 1 1 A 50 50 ARG C C 50 176.940 178.604 -1.664 2
1 529 . 1 1 A 50 50 ARG CA C 50 58.130 59.426 -1.296 2
1 530 . 1 1 A 50 50 ARG CB C 50 29.200 29.820 -0.620 2
1 533 . 1 1 A 50 50 ARG N N 50 114.500 118.482 -3.982 2
1 534 . 1 1 A 51 51 GLY H H 51 8.199 8.038 0.161 2
1 535 . 1 1 A 51 51 GLY HA2 H 51 3.605 3.927 -0.322 2
1 536 . 1 1 A 51 51 GLY HA3 H 51 4.335 3.936 0.399 2
1 537 . 1 1 A 51 51 GLY C C 51 173.340 174.639 -1.299 2
1 538 . 1 1 A 51 51 GLY CA C 51 44.750 46.306 -1.556 2
1 539 . 1 1 A 51 51 GLY N N 51 107.942 106.974 0.968 2
1 540 . 1 1 A 52 52 GLN H H 52 7.475 7.650 -0.175 2
1 541 . 1 1 A 52 52 GLN HA H 52 4.315 4.426 -0.111 2
1 548 . 1 1 A 52 52 GLN C C 52 175.770 174.803 0.968 2
1 549 . 1 1 A 52 52 GLN CA C 52 56.023 55.105 0.918 2
1 550 . 1 1 A 52 52 GLN CB C 52 31.494 28.216 3.278 2
1 552 . 1 1 A 52 52 GLN N N 52 119.769 119.230 0.539 2
1 554 . 1 1 A 53 53 LYS H H 53 8.586 8.600 -0.014 2
1 555 . 1 1 A 53 53 LYS HA H 53 4.500 4.645 -0.145 2
1 564 . 1 1 A 53 53 LYS C C 53 174.080 175.356 -1.276 2
1 565 . 1 1 A 53 53 LYS CA C 53 55.950 55.382 0.568 2
1 566 . 1 1 A 53 53 LYS CB C 53 34.690 32.449 2.241 2
1 570 . 1 1 A 53 53 LYS N N 53 123.759 124.958 -1.199 2
1 571 . 1 1 A 54 54 LEU H H 54 8.900 8.722 0.178 2
1 572 . 1 1 A 54 54 LEU HA H 54 5.271 4.606 0.665 2
1 582 . 1 1 A 54 54 LEU C C 54 174.940 175.968 -1.028 2
1 583 . 1 1 A 54 54 LEU CA C 54 53.250 54.443 -1.193 2
1 584 . 1 1 A 54 54 LEU CB C 54 45.042 41.182 3.860 2
1 588 . 1 1 A 54 54 LEU N N 54 126.200 126.035 0.165 2
1 589 . 1 1 A 55 55 ILE H H 55 9.330 8.907 0.423 2
1 590 . 1 1 A 55 55 ILE HA H 55 4.886 5.085 -0.199 2
1 600 . 1 1 A 55 55 ILE C C 55 175.623 174.519 1.104 2
1 601 . 1 1 A 55 55 ILE CA C 55 59.402 60.201 -0.799 2
1 602 . 1 1 A 55 55 ILE CB C 55 40.270 39.993 0.277 2
1 606 . 1 1 A 55 55 ILE N N 55 123.589 125.289 -1.700 2
1 607 . 1 1 A 56 56 PHE H H 56 9.241 9.297 -0.056 2
1 608 . 1 1 A 56 56 PHE HA H 56 5.212 4.883 0.329 2
1 615 . 1 1 A 56 56 PHE C C 56 174.600 174.911 -0.311 2
1 616 . 1 1 A 56 56 PHE CA C 56 55.936 57.378 -1.442 2
1 617 . 1 1 A 56 56 PHE CB C 56 42.830 42.014 0.816 2
1 622 . 1 1 A 56 56 PHE N N 56 127.423 127.581 -0.158 2
1 625 . 1 1 A 57 57 LYS H H 57 9.307 9.316 -0.009 2
1 626 . 1 1 A 57 57 LYS HA H 57 3.630 3.629 0.001 2
1 635 . 1 1 A 57 57 LYS C C 57 176.620 176.559 0.061 2
1 636 . 1 1 A 57 57 LYS CA C 57 57.495 57.106 0.389 2
1 637 . 1 1 A 57 57 LYS CB C 57 30.100 29.886 0.214 2
1 641 . 1 1 A 57 57 LYS N N 57 128.612 127.911 0.701 2
1 642 . 1 1 A 58 58 GLY H H 58 8.288 8.476 -0.188 2
1 643 . 1 1 A 58 58 GLY HA2 H 58 3.487 3.845 -0.358 2
1 644 . 1 1 A 58 58 GLY HA3 H 58 4.098 3.858 0.240 2
1 645 . 1 1 A 58 58 GLY C C 58 173.568 173.630 -0.062 2
1 646 . 1 1 A 58 58 GLY CA C 58 45.475 45.314 0.161 2
1 647 . 1 1 A 58 58 GLY N N 58 102.757 105.262 -2.505 2
1 648 . 1 1 A 59 59 LYS H H 59 7.900 7.783 0.117 2
1 649 . 1 1 A 59 59 LYS HA H 59 4.667 4.658 0.009 2
1 658 . 1 1 A 59 59 LYS C C 59 174.830 175.508 -0.678 2
1 659 . 1 1 A 59 59 LYS CA C 59 55.222 54.849 0.373 2
1 660 . 1 1 A 59 59 LYS CB C 59 35.010 34.671 0.339 2
1 664 . 1 1 A 59 59 LYS N N 59 121.753 121.302 0.451 2
1 665 . 1 1 A 60 60 VAL H H 60 8.587 8.588 -0.001 2
1 666 . 1 1 A 60 60 VAL HA H 60 4.209 4.435 -0.226 2
1 674 . 1 1 A 60 60 VAL C C 60 177.380 175.878 1.502 2
1 675 . 1 1 A 60 60 VAL CA C 60 63.080 62.433 0.647 2
1 676 . 1 1 A 60 60 VAL CB C 60 32.101 32.443 -0.342 2
1 679 . 1 1 A 60 60 VAL N N 60 123.795 126.155 -2.360 2
1 680 . 1 1 A 61 61 LEU H H 61 8.876 8.707 0.169 2
1 681 . 1 1 A 61 61 LEU HA H 61 4.430 4.476 -0.046 2
1 691 . 1 1 A 61 61 LEU C C 61 176.660 177.044 -0.384 2
1 692 . 1 1 A 61 61 LEU CA C 61 54.760 54.478 0.282 2
1 693 . 1 1 A 61 61 LEU CB C 61 43.060 42.164 0.895 2
1 697 . 1 1 A 61 61 LEU N N 61 129.083 129.160 -0.077 2
1 698 . 1 1 A 62 62 VAL H H 62 8.759 8.644 0.115 2
1 699 . 1 1 A 62 62 VAL HA H 62 3.989 4.036 -0.047 2
1 707 . 1 1 A 62 62 VAL C C 62 178.390 176.455 1.935 2
1 708 . 1 1 A 62 62 VAL CA C 62 63.077 63.267 -0.191 2
1 709 . 1 1 A 62 62 VAL CB C 62 32.440 32.031 0.409 2
1 712 . 1 1 A 62 62 VAL N N 62 124.193 124.293 -0.100 2
1 713 . 1 1 A 63 63 GLU H H 63 8.806 8.896 -0.090 2
1 714 . 1 1 A 63 63 GLU HA H 63 3.757 4.049 -0.292 2
1 719 . 1 1 A 63 63 GLU C C 63 176.500 177.934 -1.434 2
1 720 . 1 1 A 63 63 GLU CA C 63 60.509 59.651 0.858 2
1 721 . 1 1 A 63 63 GLU CB C 63 30.580 29.276 1.304 2
1 723 . 1 1 A 63 63 GLU N N 63 125.296 125.834 -0.538 2
1 724 . 1 1 A 64 64 THR H H 64 7.100 7.609 -0.509 2
1 725 . 1 1 A 64 64 THR HA H 64 4.279 4.302 -0.023 2
1 730 . 1 1 A 64 64 THR C C 64 175.290 174.452 0.838 2
1 731 . 1 1 A 64 64 THR CA C 64 61.466 62.614 -1.148 2
1 732 . 1 1 A 64 64 THR CB C 64 68.840 69.311 -0.471 2
1 734 . 1 1 A 64 64 THR N N 64 102.822 110.486 -7.664 2
1 735 . 1 1 A 65 65 SER H H 65 7.749 7.819 -0.070 2
1 736 . 1 1 A 65 65 SER HA H 65 4.676 4.785 -0.109 2
1 739 . 1 1 A 65 65 SER C C 65 174.300 174.089 0.211 2
1 740 . 1 1 A 65 65 SER CA C 65 58.060 57.279 0.781 2
1 741 . 1 1 A 65 65 SER CB C 65 64.950 64.775 0.175 2
1 742 . 1 1 A 65 65 SER N N 65 117.966 118.293 -0.327 2
1 743 . 1 1 A 66 66 THR H H 66 8.512 8.629 -0.117 2
1 744 . 1 1 A 66 66 THR HA H 66 5.032 4.868 0.164 2
1 750 . 1 1 A 66 66 THR C C 66 177.300 176.288 1.012 2
1 751 . 1 1 A 66 66 THR CA C 66 60.200 60.230 -0.030 2
1 752 . 1 1 A 66 66 THR CB C 66 71.550 71.590 -0.040 2
1 754 . 1 1 A 66 66 THR N N 66 111.490 115.002 -3.512 2
1 755 . 1 1 A 67 67 LEU H H 67 8.451 8.638 -0.187 2
1 756 . 1 1 A 67 67 LEU HA H 67 3.753 3.921 -0.168 2
1 766 . 1 1 A 67 67 LEU C C 67 179.170 179.000 0.170 2
1 767 . 1 1 A 67 67 LEU CA C 67 59.234 58.272 0.962 2
1 768 . 1 1 A 67 67 LEU CB C 67 38.897 41.453 -2.556 2
1 772 . 1 1 A 67 67 LEU N N 67 122.302 122.871 -0.569 2
1 773 . 1 1 A 68 68 LYS H H 68 8.313 8.095 0.218 2
1 774 . 1 1 A 68 68 LYS HA H 68 4.090 3.915 0.175 2
1 783 . 1 1 A 68 68 LYS C C 68 180.950 179.067 1.883 2
1 784 . 1 1 A 68 68 LYS CA C 68 59.620 59.373 0.247 2
1 785 . 1 1 A 68 68 LYS CB C 68 32.490 32.130 0.360 2
1 789 . 1 1 A 68 68 LYS N N 68 120.066 120.427 -0.361 2
1 790 . 1 1 A 69 69 GLN H H 69 8.019 7.947 0.072 2
1 791 . 1 1 A 69 69 GLN HA H 69 4.086 4.126 -0.040 2
1 798 . 1 1 A 69 69 GLN C C 69 177.840 177.160 0.680 2
1 799 . 1 1 A 69 69 GLN CA C 69 58.260 58.488 -0.228 2
1 800 . 1 1 A 69 69 GLN CB C 69 28.580 28.578 0.002 2
1 802 . 1 1 A 69 69 GLN N N 69 119.594 118.931 0.663 2
1 804 . 1 1 A 70 70 SER H H 70 7.544 7.652 -0.108 2
1 805 . 1 1 A 70 70 SER HA H 70 4.517 4.601 -0.084 2
1 808 . 1 1 A 70 70 SER C C 70 171.870 173.361 -1.491 2
1 809 . 1 1 A 70 70 SER CA C 70 58.920 58.014 0.906 2
1 810 . 1 1 A 70 70 SER CB C 70 64.446 63.303 1.143 2
1 811 . 1 1 A 70 70 SER N N 70 114.028 112.270 1.758 2
1 812 . 1 1 A 71 71 ASP H H 71 7.882 7.956 -0.074 2
1 813 . 1 1 A 71 71 ASP HA H 71 4.278 4.337 -0.059 2
1 816 . 1 1 A 71 71 ASP C C 71 174.050 175.360 -1.310 2
1 817 . 1 1 A 71 71 ASP CA C 71 55.660 55.600 0.060 2
1 818 . 1 1 A 71 71 ASP CB C 71 39.540 39.813 -0.273 2
1 819 . 1 1 A 71 71 ASP N N 71 116.055 118.007 -1.952 2
1 820 . 1 1 A 72 72 VAL H H 72 7.723 7.822 -0.099 2
1 821 . 1 1 A 72 72 VAL HA H 72 3.285 3.822 -0.537 2
1 829 . 1 1 A 72 72 VAL C C 72 173.980 175.563 -1.583 2
1 830 . 1 1 A 72 72 VAL CA C 72 62.744 61.820 0.924 2
1 831 . 1 1 A 72 72 VAL CB C 72 30.727 31.256 -0.529 2
1 834 . 1 1 A 72 72 VAL N N 72 119.423 119.533 -0.110 2
1 835 . 1 1 A 73 73 GLY H H 73 7.722 8.603 -0.881 2
1 836 . 1 1 A 73 73 GLY HA2 H 73 3.590 4.182 -0.592 2
1 837 . 1 1 A 73 73 GLY HA3 H 73 4.416 4.200 0.216 2
1 838 . 1 1 A 73 73 GLY C C 73 172.450 172.970 -0.520 2
1 839 . 1 1 A 73 73 GLY CA C 73 42.820 44.271 -1.451 2
1 840 . 1 1 A 73 73 GLY N N 73 114.445 115.563 -1.118 2
1 841 . 1 1 A 74 74 SER H H 74 8.552 8.522 0.030 2
1 842 . 1 1 A 74 74 SER HA H 74 4.365 4.317 0.048 2
1 845 . 1 1 A 74 74 SER C C 74 177.240 175.161 2.079 2
1 846 . 1 1 A 74 74 SER CA C 74 60.420 59.646 0.774 2
1 847 . 1 1 A 74 74 SER CB C 74 63.350 62.633 0.717 2
1 848 . 1 1 A 74 74 SER N N 74 111.883 114.625 -2.742 2
1 849 . 1 1 A 75 75 GLY H H 75 9.718 8.902 0.816 2
1 850 . 1 1 A 75 75 GLY HA2 H 75 3.693 4.002 -0.309 2
1 851 . 1 1 A 75 75 GLY HA3 H 75 4.328 4.007 0.321 2
1 852 . 1 1 A 75 75 GLY C C 75 174.500 174.541 -0.041 2
1 853 . 1 1 A 75 75 GLY CA C 75 44.990 45.433 -0.443 2
1 854 . 1 1 A 75 75 GLY N N 75 115.986 113.534 2.452 2
1 855 . 1 1 A 76 76 ALA H H 76 7.939 7.790 0.149 2
1 856 . 1 1 A 76 76 ALA HA H 76 4.363 4.529 -0.166 2
1 860 . 1 1 A 76 76 ALA C C 76 176.170 176.639 -0.469 2
1 861 . 1 1 A 76 76 ALA CA C 76 53.372 51.942 1.430 2
1 862 . 1 1 A 76 76 ALA CB C 76 21.400 20.102 1.298 2
1 863 . 1 1 A 76 76 ALA N N 76 123.830 123.564 0.266 2
1 864 . 1 1 A 77 77 LYS H H 77 8.435 8.832 -0.397 2
1 865 . 1 1 A 77 77 LYS HA H 77 5.195 4.925 0.270 2
1 874 . 1 1 A 77 77 LYS C C 77 175.450 175.432 0.018 2
1 875 . 1 1 A 77 77 LYS CA C 77 54.930 55.441 -0.511 2
1 876 . 1 1 A 77 77 LYS CB C 77 33.520 33.616 -0.096 2
1 880 . 1 1 A 77 77 LYS N N 77 120.636 122.557 -1.921 2
1 881 . 1 1 A 78 78 LEU H H 78 9.016 9.216 -0.200 2
1 882 . 1 1 A 78 78 LEU HA H 78 5.225 4.972 0.253 2
1 892 . 1 1 A 78 78 LEU C C 78 175.970 175.666 0.304 2
1 893 . 1 1 A 78 78 LEU CA C 78 53.700 53.862 -0.162 2
1 894 . 1 1 A 78 78 LEU CB C 78 45.250 43.147 2.103 2
1 898 . 1 1 A 78 78 LEU N N 78 123.751 126.305 -2.554 2
1 899 . 1 1 A 79 79 MET H H 79 8.983 8.979 0.004 2
1 900 . 1 1 A 79 79 MET HA H 79 5.163 4.876 0.287 2
1 905 . 1 1 A 79 79 MET C C 79 173.970 174.759 -0.789 2
1 906 . 1 1 A 79 79 MET CA C 79 55.508 54.419 1.089 2
1 907 . 1 1 A 79 79 MET CB C 79 35.180 33.878 1.302 2
1 909 . 1 1 A 79 79 MET N N 79 120.990 124.388 -3.398 2
1 910 . 1 1 A 80 80 LEU H H 80 8.905 8.818 0.087 2
1 911 . 1 1 A 80 80 LEU HA H 80 5.235 5.030 0.205 2
1 921 . 1 1 A 80 80 LEU C C 80 174.730 175.234 -0.504 2
1 922 . 1 1 A 80 80 LEU CA C 80 54.071 53.733 0.338 2
1 923 . 1 1 A 80 80 LEU CB C 80 43.540 43.892 -0.351 2
1 927 . 1 1 A 81 81 MET H H 81 9.229 8.931 0.298 2
1 928 . 1 1 A 81 81 MET HA H 81 4.960 4.699 0.261 2
1 936 . 1 1 A 81 81 MET C C 81 174.450 175.021 -0.571 2
1 937 . 1 1 A 81 81 MET CA C 81 53.830 54.665 -0.835 2
1 938 . 1 1 A 81 81 MET CB C 81 34.810 31.955 2.855 2
1 941 . 1 1 A 81 81 MET N N 81 125.712 127.958 -2.246 2
1 942 . 1 1 A 82 82 ALA H H 82 8.891 8.325 0.566 2
1 943 . 1 1 A 82 82 ALA HA H 82 5.043 5.135 -0.092 2
1 947 . 1 1 A 82 82 ALA C C 82 177.470 176.290 1.180 2
1 948 . 1 1 A 82 82 ALA CA C 82 51.010 50.792 0.218 2
1 949 . 1 1 A 82 82 ALA CB C 82 21.124 22.555 -1.431 2
1 950 . 1 1 A 82 82 ALA N N 82 126.315 128.709 -2.394 2
1 951 . 1 1 A 83 83 SER H H 83 8.719 8.795 -0.076 2
1 952 . 1 1 A 83 83 SER HA H 83 4.497 4.813 -0.316 2
1 955 . 1 1 A 83 83 SER C C 83 174.360 174.135 0.225 2
1 956 . 1 1 A 83 83 SER CA C 83 58.534 57.734 0.800 2
1 957 . 1 1 A 83 83 SER CB C 83 64.140 64.285 -0.145 2
1 958 . 1 1 A 83 83 SER N N 83 117.987 115.936 2.051 2
1 959 . 1 1 A 84 84 GLN H H 84 8.629 8.480 0.149 2
1 960 . 1 1 A 84 84 GLN HA H 84 4.449 4.453 -0.004 2
1 967 . 1 1 A 84 84 GLN C C 84 175.370 175.775 -0.405 2
1 968 . 1 1 A 84 84 GLN CA C 84 55.890 56.063 -0.173 2
1 969 . 1 1 A 84 84 GLN CB C 84 29.860 29.936 -0.076 2
1 971 . 1 1 A 84 84 GLN N N 84 122.746 122.750 -0.004 2
stop_
save_