data_11022_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11022
_Entry.PDB_ID 2RNG
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 25
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 PRO HA H 2 4.500 4.550 -0.050 1
1 8 . 1 1 1 A 3 3 LEU H H 3 8.160 8.358 -0.198 1
1 9 . 1 1 1 A 3 3 LEU HA H 3 4.350 4.373 -0.023 1
1 19 . 1 1 1 A 4 4 ILE H H 4 8.160 8.406 -0.246 1
1 20 . 1 1 1 A 4 4 ILE HA H 4 4.030 4.082 -0.052 1
1 30 . 1 1 1 A 5 5 PRO HA H 5 4.360 4.450 -0.090 1
1 37 . 1 1 1 A 6 6 ALA H H 6 8.320 8.419 -0.099 1
1 38 . 1 1 1 A 6 6 ALA HA H 6 4.000 4.019 -0.019 1
1 42 . 1 1 1 A 7 7 ILE H H 7 7.720 7.962 -0.242 1
1 43 . 1 1 1 A 7 7 ILE HA H 7 3.880 3.987 -0.107 1
1 53 . 1 1 1 A 8 8 TYR H H 8 7.530 8.037 -0.507 1
1 54 . 1 1 1 A 8 8 TYR HA H 8 4.230 4.535 -0.305 1
1 61 . 1 1 1 A 9 9 ILE H H 9 7.350 7.702 -0.352 1
1 62 . 1 1 1 A 9 9 ILE HA H 9 3.620 4.636 -1.016 1
1 72 . 1 1 1 A 10 10 GLY H H 10 8.200 9.000 -0.800 1
1 73 . 1 1 1 A 10 10 GLY HA2 H 10 4.000 3.892 0.108 1
1 74 . 1 1 1 A 10 10 GLY HA3 H 10 4.130 3.905 0.225 1
1 75 . 1 1 1 A 11 11 ALA H H 11 8.130 7.372 0.758 1
1 76 . 1 1 1 A 11 11 ALA HA H 11 4.400 4.948 -0.548 1
1 80 . 1 1 1 A 12 12 THR H H 12 8.130 8.678 -0.548 1
1 81 . 1 1 1 A 12 12 THR HA H 12 4.970 5.383 -0.413 1
1 86 . 1 1 1 A 13 13 VAL H H 13 8.690 8.392 0.298 1
1 87 . 1 1 1 A 13 13 VAL HA H 13 4.690 4.246 0.444 1
1 95 . 1 1 1 A 14 14 GLY H H 14 8.440 8.463 -0.023 1
1 96 . 1 1 1 A 14 14 GLY HA2 H 14 4.360 4.061 0.299 1
1 97 . 1 1 1 A 14 14 GLY HA3 H 14 3.580 4.139 -0.559 1
1 98 . 1 1 1 A 15 15 PRO HA H 15 4.120 4.454 -0.334 1
1 105 . 1 1 1 A 16 16 SER H H 16 8.880 8.271 0.609 1
1 106 . 1 1 1 A 16 16 SER HA H 16 4.380 4.273 0.107 1
1 109 . 1 1 1 A 17 17 VAL H H 17 7.260 8.045 -0.785 1
1 110 . 1 1 1 A 17 17 VAL HA H 17 3.940 3.590 0.350 1
1 118 . 1 1 1 A 18 18 TRP H H 18 8.840 8.068 0.772 1
1 119 . 1 1 1 A 18 18 TRP HA H 18 3.810 4.077 -0.267 1
1 125 . 1 1 1 A 19 19 ALA H H 19 7.940 8.158 -0.218 1
1 126 . 1 1 1 A 19 19 ALA HA H 19 3.950 3.704 0.246 1
1 130 . 1 1 1 A 20 20 TYR H H 20 7.500 7.678 -0.178 1
1 131 . 1 1 1 A 20 20 TYR HA H 20 4.260 4.165 0.095 1
1 138 . 1 1 1 A 21 21 LEU H H 21 8.100 8.125 -0.025 1
1 139 . 1 1 1 A 21 21 LEU HA H 21 3.380 4.108 -0.728 1
1 149 . 1 1 1 A 22 22 VAL H H 22 8.390 7.925 0.465 1
1 150 . 1 1 1 A 22 22 VAL HA H 22 2.820 3.380 -0.560 1
1 158 . 1 1 1 A 23 23 ALA H H 23 7.530 7.794 -0.264 1
1 159 . 1 1 1 A 23 23 ALA HA H 23 3.980 3.831 0.149 1
1 163 . 1 1 1 A 24 24 LEU H H 24 7.510 7.545 -0.035 1
1 164 . 1 1 1 A 24 24 LEU HA H 24 3.980 3.980 0.000 1
1 174 . 1 1 1 A 25 25 VAL H H 25 7.780 7.851 -0.071 1
1 175 . 1 1 1 A 25 25 VAL HA H 25 4.550 4.342 0.208 1
1 183 . 1 1 1 A 26 26 GLY H H 26 7.790 7.370 0.420 1
1 184 . 1 1 1 A 26 26 GLY HA2 H 26 3.890 3.997 -0.107 1
1 185 . 1 1 1 A 26 26 GLY HA3 H 26 4.430 4.028 0.402 1
1 186 . 1 1 1 A 27 27 ALA H H 27 8.630 8.913 -0.283 1
1 187 . 1 1 1 A 27 27 ALA HA H 27 3.700 4.035 -0.335 1
1 191 . 1 1 1 A 28 28 ALA H H 28 8.490 7.900 0.590 1
1 192 . 1 1 1 A 28 28 ALA HA H 28 4.070 4.118 -0.048 1
1 196 . 1 1 1 A 29 29 ALA H H 29 8.220 8.086 0.134 1
1 197 . 1 1 1 A 29 29 ALA HA H 29 4.100 4.128 -0.028 1
1 201 . 1 1 1 A 30 30 VAL H H 30 7.230 7.734 -0.504 1
1 202 . 1 1 1 A 30 30 VAL HA H 30 3.280 3.857 -0.577 1
1 210 . 1 1 1 A 31 31 THR H H 31 8.100 7.567 0.533 1
1 211 . 1 1 1 A 31 31 THR HA H 31 4.150 4.413 -0.263 1
1 216 . 1 1 1 A 32 32 ALA H H 32 8.150 7.650 0.500 1
1 217 . 1 1 1 A 32 32 ALA HA H 32 4.220 4.279 -0.059 1
1 221 . 1 1 1 A 33 33 ALA H H 33 7.240 7.576 -0.336 1
1 222 . 1 1 1 A 33 33 ALA HA H 33 4.470 4.400 0.070 1
1 226 . 1 1 1 A 34 34 ASN H H 34 8.240 8.218 0.022 1
1 227 . 1 1 1 A 34 34 ASN HA H 34 4.440 4.419 0.021 1
1 230 . 1 1 1 A 35 35 ILE H H 35 6.980 7.699 -0.719 1
1 231 . 1 1 1 A 35 35 ILE HA H 35 4.660 4.536 0.124 1
1 241 . 1 1 1 A 36 36 ARG H H 36 8.830 8.786 0.044 1
1 242 . 1 1 1 A 36 36 ARG HA H 36 4.640 4.623 0.017 1
1 250 . 1 1 1 A 37 37 ARG H H 37 8.250 8.272 -0.022 1
1 251 . 1 1 1 A 37 37 ARG HA H 37 4.450 4.931 -0.481 1
1 259 . 1 1 1 A 38 38 ALA H H 38 8.960 7.996 0.964 1
1 260 . 1 1 1 A 38 38 ALA HA H 38 4.680 4.589 0.091 1
1 264 . 1 1 1 A 39 39 SER H H 39 8.580 8.681 -0.101 1
1 265 . 1 1 1 A 39 39 SER HA H 39 4.200 4.150 0.050 1
1 268 . 1 1 1 A 40 40 SER H H 40 7.890 7.659 0.231 1
1 269 . 1 1 1 A 40 40 SER HA H 40 4.650 4.669 -0.019 1
1 272 . 1 1 1 A 41 41 ASP H H 41 8.350 8.612 -0.262 1
1 273 . 1 1 1 A 41 41 ASP HA H 41 4.470 4.501 -0.031 1
1 276 . 1 1 1 A 42 42 ASN H H 42 8.000 7.381 0.619 1
1 277 . 1 1 1 A 42 42 ASN HA H 42 4.680 4.680 0.000 1
1 280 . 1 1 1 A 43 43 HIS H H 43 6.580 8.174 -1.594 1
1 281 . 1 1 1 A 43 43 HIS HA H 43 4.210 5.558 -1.348 1
1 286 . 1 1 1 A 44 44 SER H H 44 8.430 8.726 -0.296 1
1 287 . 1 1 1 A 44 44 SER HA H 44 4.010 4.494 -0.484 1
1 290 . 1 1 1 A 45 45 CYS H H 45 8.050 8.023 0.027 1
1 291 . 1 1 1 A 45 45 CYS HA H 45 4.880 4.826 0.054 1
1 294 . 1 1 1 A 46 46 ALA H H 46 8.400 8.061 0.339 1
1 295 . 1 1 1 A 46 46 ALA HA H 46 2.370 3.459 -1.089 1
1 299 . 1 1 1 A 47 47 GLY H H 47 8.270 8.224 0.046 1
1 300 . 1 1 1 A 47 47 GLY HA2 H 47 3.730 3.872 -0.142 1
1 301 . 1 1 1 A 47 47 GLY HA3 H 47 3.790 3.873 -0.083 1
1 302 . 1 1 1 A 48 48 ASN H H 48 8.220 8.690 -0.470 1
1 303 . 1 1 1 A 48 48 ASN HA H 48 4.570 4.686 -0.116 1
1 306 . 1 1 1 A 49 49 ARG H H 49 7.600 7.585 0.015 1
1 307 . 1 1 1 A 49 49 ARG HA H 49 4.600 4.438 0.162 1
1 315 . 1 1 1 A 50 50 GLY H H 50 8.120 7.367 0.753 1
1 316 . 1 1 1 A 50 50 GLY HA2 H 50 4.860 3.927 0.933 1
1 317 . 1 1 1 A 50 50 GLY HA3 H 50 3.410 4.012 -0.602 1
1 318 . 1 1 1 A 51 51 TRP H H 51 8.920 8.434 0.486 1
1 319 . 1 1 1 A 51 51 TRP HA H 51 4.470 5.405 -0.935 1
1 328 . 1 1 1 A 52 52 CYS H H 52 7.770 8.949 -1.179 1
1 329 . 1 1 1 A 52 52 CYS HA H 52 5.730 5.637 0.093 1
1 332 . 1 1 1 A 53 53 ARG H H 53 9.340 8.444 0.896 1
1 333 . 1 1 1 A 53 53 ARG HA H 53 4.460 4.913 -0.453 1
1 340 . 1 1 1 A 54 54 SER H H 54 8.320 8.586 -0.266 1
1 341 . 1 1 1 A 54 54 SER HA H 54 3.690 3.589 0.101 1
1 344 . 1 1 1 A 55 55 LYS H H 55 6.760 7.678 -0.918 1
1 345 . 1 1 1 A 55 55 LYS HA H 55 4.290 4.867 -0.577 1
1 354 . 1 1 1 A 56 56 CYS H H 56 8.780 8.748 0.032 1
1 355 . 1 1 1 A 56 56 CYS HA H 56 4.690 4.985 -0.295 1
1 358 . 1 1 1 A 57 57 PHE H H 57 8.760 8.087 0.673 1
1 359 . 1 1 1 A 57 57 PHE HA H 57 4.910 4.854 0.056 1
1 367 . 1 1 1 A 58 58 ARG H H 58 8.590 9.223 -0.633 1
1 368 . 1 1 1 A 58 58 ARG HA H 58 4.080 4.198 -0.118 1
1 376 . 1 1 1 A 59 59 HIS H H 59 8.710 8.104 0.606 1
1 377 . 1 1 1 A 59 59 HIS HA H 59 4.790 4.480 0.310 1
1 382 . 1 1 1 A 60 60 GLU H H 60 7.750 7.768 -0.018 1
1 383 . 1 1 1 A 60 60 GLU HA H 60 5.220 4.987 0.233 1
1 388 . 1 1 1 A 61 61 TYR H H 61 9.180 8.744 0.436 1
1 389 . 1 1 1 A 61 61 TYR HA H 61 5.010 5.279 -0.269 1
1 396 . 1 1 1 A 62 62 VAL H H 62 8.490 8.635 -0.145 1
1 397 . 1 1 1 A 62 62 VAL HA H 62 4.020 4.370 -0.350 1
1 405 . 1 1 1 A 63 63 ASP H H 63 9.070 8.266 0.804 1
1 406 . 1 1 1 A 63 63 ASP HA H 63 5.140 4.798 0.342 1
1 409 . 1 1 1 A 64 64 THR H H 64 8.930 8.607 0.323 1
1 410 . 1 1 1 A 64 64 THR HA H 64 4.020 3.979 0.041 1
1 415 . 1 1 1 A 65 65 TYR H H 65 8.440 8.129 0.311 1
1 416 . 1 1 1 A 65 65 TYR HA H 65 4.330 4.219 0.111 1
1 423 . 1 1 1 A 66 66 TYR H H 66 8.010 8.221 -0.211 1
1 424 . 1 1 1 A 66 66 TYR HA H 66 4.280 4.617 -0.337 1
1 431 . 1 1 1 A 67 67 SER H H 67 7.770 8.254 -0.484 1
1 432 . 1 1 1 A 67 67 SER HA H 67 4.120 4.280 -0.160 1
1 435 . 1 1 1 A 68 68 ALA H H 68 8.010 7.934 0.076 1
1 436 . 1 1 1 A 68 68 ALA HA H 68 4.230 4.255 -0.025 1
1 440 . 1 1 1 A 69 69 VAL H H 69 7.220 8.334 -1.114 1
1 441 . 1 1 1 A 69 69 VAL HA H 69 4.330 3.732 0.598 1
1 449 . 1 1 1 A 70 70 CYS H H 70 7.930 7.753 0.177 1
1 450 . 1 1 1 A 70 70 CYS HA H 70 4.680 4.513 0.167 1
1 453 . 1 1 1 A 71 71 GLY H H 71 7.540 7.646 -0.106 1
1 454 . 1 1 1 A 71 71 GLY HA2 H 71 3.420 4.075 -0.655 1
1 455 . 1 1 1 A 71 71 GLY HA3 H 71 4.030 4.084 -0.054 1
1 456 . 1 1 1 A 72 72 ARG H H 72 8.410 8.689 -0.279 1
1 457 . 1 1 1 A 72 72 ARG HA H 72 4.170 3.917 0.253 1
1 465 . 1 1 1 A 73 73 TYR H H 73 7.500 7.942 -0.442 1
1 466 . 1 1 1 A 73 73 TYR HA H 73 4.470 4.408 0.062 1
1 473 . 1 1 1 A 74 74 PHE H H 74 8.540 8.745 -0.205 1
1 474 . 1 1 1 A 74 74 PHE HA H 74 4.560 5.011 -0.451 1
1 482 . 1 1 1 A 75 75 CYS H H 75 9.110 9.095 0.015 1
1 483 . 1 1 1 A 75 75 CYS HA H 75 4.840 5.380 -0.540 1
1 486 . 1 1 1 A 76 76 CYS H H 76 8.730 8.506 0.224 1
1 487 . 1 1 1 A 76 76 CYS HA H 76 5.080 5.025 0.055 1
1 490 . 1 1 1 A 77 77 ARG H H 77 8.930 7.899 1.031 1
1 491 . 1 1 1 A 77 77 ARG HA H 77 4.770 4.884 -0.114 1
1 499 . 1 1 1 A 78 78 SER H H 78 8.770 8.752 0.018 1
1 500 . 1 1 1 A 78 78 SER HA H 78 4.760 5.305 -0.545 1
1 1 . 2 1 1 A 2 2 PRO HA H 2 4.500 4.699 -0.199 1
1 8 . 2 1 1 A 3 3 LEU H H 3 8.160 8.592 -0.432 1
1 9 . 2 1 1 A 3 3 LEU HA H 3 4.350 4.882 -0.532 1
1 19 . 2 1 1 A 4 4 ILE H H 4 8.160 8.317 -0.157 1
1 20 . 2 1 1 A 4 4 ILE HA H 4 4.030 3.995 0.035 1
1 30 . 2 1 1 A 5 5 PRO HA H 5 4.360 4.603 -0.243 1
1 37 . 2 1 1 A 6 6 ALA H H 6 8.320 8.147 0.173 1
1 38 . 2 1 1 A 6 6 ALA HA H 6 4.000 4.341 -0.341 1
1 42 . 2 1 1 A 7 7 ILE H H 7 7.720 7.940 -0.220 1
1 43 . 2 1 1 A 7 7 ILE HA H 7 3.880 3.528 0.352 1
1 53 . 2 1 1 A 8 8 TYR H H 8 7.530 8.039 -0.509 1
1 54 . 2 1 1 A 8 8 TYR HA H 8 4.230 4.323 -0.093 1
1 61 . 2 1 1 A 9 9 ILE H H 9 7.350 7.604 -0.254 1
1 62 . 2 1 1 A 9 9 ILE HA H 9 3.620 4.547 -0.927 1
1 72 . 2 1 1 A 10 10 GLY H H 10 8.200 8.886 -0.686 1
1 73 . 2 1 1 A 10 10 GLY HA2 H 10 4.000 3.893 0.107 1
1 74 . 2 1 1 A 10 10 GLY HA3 H 10 4.130 3.898 0.232 1
1 75 . 2 1 1 A 11 11 ALA H H 11 8.130 7.368 0.762 1
1 76 . 2 1 1 A 11 11 ALA HA H 11 4.400 4.921 -0.521 1
1 80 . 2 1 1 A 12 12 THR H H 12 8.130 8.549 -0.419 1
1 81 . 2 1 1 A 12 12 THR HA H 12 4.970 5.296 -0.326 1
1 86 . 2 1 1 A 13 13 VAL H H 13 8.690 8.553 0.137 1
1 87 . 2 1 1 A 13 13 VAL HA H 13 4.690 4.314 0.376 1
1 95 . 2 1 1 A 14 14 GLY H H 14 8.440 8.505 -0.065 1
1 96 . 2 1 1 A 14 14 GLY HA2 H 14 4.360 4.166 0.194 1
1 97 . 2 1 1 A 14 14 GLY HA3 H 14 3.580 4.233 -0.653 1
1 98 . 2 1 1 A 15 15 PRO HA H 15 4.120 4.369 -0.249 1
1 105 . 2 1 1 A 16 16 SER H H 16 8.880 8.251 0.629 1
1 106 . 2 1 1 A 16 16 SER HA H 16 4.380 4.291 0.089 1
1 109 . 2 1 1 A 17 17 VAL H H 17 7.260 8.041 -0.781 1
1 110 . 2 1 1 A 17 17 VAL HA H 17 3.940 3.706 0.234 1
1 118 . 2 1 1 A 18 18 TRP H H 18 8.840 8.202 0.638 1
1 119 . 2 1 1 A 18 18 TRP HA H 18 3.810 4.244 -0.434 1
1 125 . 2 1 1 A 19 19 ALA H H 19 7.940 8.261 -0.321 1
1 126 . 2 1 1 A 19 19 ALA HA H 19 3.950 4.204 -0.254 1
1 130 . 2 1 1 A 20 20 TYR H H 20 7.500 7.870 -0.370 1
1 131 . 2 1 1 A 20 20 TYR HA H 20 4.260 4.140 0.120 1
1 138 . 2 1 1 A 21 21 LEU H H 21 8.100 8.195 -0.095 1
1 139 . 2 1 1 A 21 21 LEU HA H 21 3.380 3.665 -0.285 1
1 149 . 2 1 1 A 22 22 VAL H H 22 8.390 7.632 0.758 1
1 150 . 2 1 1 A 22 22 VAL HA H 22 2.820 3.323 -0.503 1
1 158 . 2 1 1 A 23 23 ALA H H 23 7.530 8.021 -0.491 1
1 159 . 2 1 1 A 23 23 ALA HA H 23 3.980 3.877 0.103 1
1 163 . 2 1 1 A 24 24 LEU H H 24 7.510 7.415 0.095 1
1 164 . 2 1 1 A 24 24 LEU HA H 24 3.980 3.881 0.099 1
1 174 . 2 1 1 A 25 25 VAL H H 25 7.780 7.857 -0.077 1
1 175 . 2 1 1 A 25 25 VAL HA H 25 4.550 4.279 0.271 1
1 183 . 2 1 1 A 26 26 GLY H H 26 7.790 7.251 0.539 1
1 184 . 2 1 1 A 26 26 GLY HA2 H 26 3.890 3.993 -0.103 1
1 185 . 2 1 1 A 26 26 GLY HA3 H 26 4.430 4.010 0.420 1
1 186 . 2 1 1 A 27 27 ALA H H 27 8.630 8.950 -0.320 1
1 187 . 2 1 1 A 27 27 ALA HA H 27 3.700 4.029 -0.329 1
1 191 . 2 1 1 A 28 28 ALA H H 28 8.490 7.913 0.577 1
1 192 . 2 1 1 A 28 28 ALA HA H 28 4.070 4.104 -0.034 1
1 196 . 2 1 1 A 29 29 ALA H H 29 8.220 8.157 0.063 1
1 197 . 2 1 1 A 29 29 ALA HA H 29 4.100 4.061 0.039 1
1 201 . 2 1 1 A 30 30 VAL H H 30 7.230 7.709 -0.479 1
1 202 . 2 1 1 A 30 30 VAL HA H 30 3.280 3.533 -0.253 1
1 210 . 2 1 1 A 31 31 THR H H 31 8.100 7.935 0.165 1
1 211 . 2 1 1 A 31 31 THR HA H 31 4.150 4.065 0.085 1
1 216 . 2 1 1 A 32 32 ALA H H 32 8.150 7.890 0.260 1
1 217 . 2 1 1 A 32 32 ALA HA H 32 4.220 4.214 0.006 1
1 221 . 2 1 1 A 33 33 ALA H H 33 7.240 7.395 -0.155 1
1 222 . 2 1 1 A 33 33 ALA HA H 33 4.470 4.355 0.115 1
1 226 . 2 1 1 A 34 34 ASN H H 34 8.240 7.834 0.406 1
1 227 . 2 1 1 A 34 34 ASN HA H 34 4.440 4.440 0.000 1
1 230 . 2 1 1 A 35 35 ILE H H 35 6.980 7.695 -0.715 1
1 231 . 2 1 1 A 35 35 ILE HA H 35 4.660 4.719 -0.059 1
1 241 . 2 1 1 A 36 36 ARG H H 36 8.830 8.871 -0.041 1
1 242 . 2 1 1 A 36 36 ARG HA H 36 4.640 4.980 -0.340 1
1 250 . 2 1 1 A 37 37 ARG H H 37 8.250 8.482 -0.232 1
1 251 . 2 1 1 A 37 37 ARG HA H 37 4.450 4.885 -0.435 1
1 259 . 2 1 1 A 38 38 ALA H H 38 8.960 8.114 0.846 1
1 260 . 2 1 1 A 38 38 ALA HA H 38 4.680 4.704 -0.024 1
1 264 . 2 1 1 A 39 39 SER H H 39 8.580 8.606 -0.026 1
1 265 . 2 1 1 A 39 39 SER HA H 39 4.200 4.193 0.007 1
1 268 . 2 1 1 A 40 40 SER H H 40 7.890 7.718 0.172 1
1 269 . 2 1 1 A 40 40 SER HA H 40 4.650 4.685 -0.035 1
1 272 . 2 1 1 A 41 41 ASP H H 41 8.350 8.579 -0.229 1
1 273 . 2 1 1 A 41 41 ASP HA H 41 4.470 4.633 -0.163 1
1 276 . 2 1 1 A 42 42 ASN H H 42 8.000 7.409 0.591 1
1 277 . 2 1 1 A 42 42 ASN HA H 42 4.680 4.705 -0.025 1
1 280 . 2 1 1 A 43 43 HIS H H 43 6.580 8.188 -1.608 1
1 281 . 2 1 1 A 43 43 HIS HA H 43 4.210 5.546 -1.336 1
1 286 . 2 1 1 A 44 44 SER H H 44 8.430 8.633 -0.203 1
1 287 . 2 1 1 A 44 44 SER HA H 44 4.010 3.816 0.194 1
1 290 . 2 1 1 A 45 45 CYS H H 45 8.050 7.919 0.131 1
1 291 . 2 1 1 A 45 45 CYS HA H 45 4.880 4.841 0.039 1
1 294 . 2 1 1 A 46 46 ALA H H 46 8.400 7.975 0.425 1
1 295 . 2 1 1 A 46 46 ALA HA H 46 2.370 3.328 -0.958 1
1 299 . 2 1 1 A 47 47 GLY H H 47 8.270 8.168 0.102 1
1 300 . 2 1 1 A 47 47 GLY HA2 H 47 3.730 3.857 -0.127 1
1 301 . 2 1 1 A 47 47 GLY HA3 H 47 3.790 3.865 -0.075 1
1 302 . 2 1 1 A 48 48 ASN H H 48 8.220 8.751 -0.531 1
1 303 . 2 1 1 A 48 48 ASN HA H 48 4.570 4.617 -0.047 1
1 306 . 2 1 1 A 49 49 ARG H H 49 7.600 7.610 -0.010 1
1 307 . 2 1 1 A 49 49 ARG HA H 49 4.600 4.354 0.246 1
1 315 . 2 1 1 A 50 50 GLY H H 50 8.120 7.423 0.697 1
1 316 . 2 1 1 A 50 50 GLY HA2 H 50 4.860 3.916 0.944 1
1 317 . 2 1 1 A 50 50 GLY HA3 H 50 3.410 4.011 -0.601 1
1 318 . 2 1 1 A 51 51 TRP H H 51 8.920 8.337 0.583 1
1 319 . 2 1 1 A 51 51 TRP HA H 51 4.470 5.314 -0.844 1
1 328 . 2 1 1 A 52 52 CYS H H 52 7.770 8.859 -1.089 1
1 329 . 2 1 1 A 52 52 CYS HA H 52 5.730 5.595 0.135 1
1 332 . 2 1 1 A 53 53 ARG H H 53 9.340 8.466 0.874 1
1 333 . 2 1 1 A 53 53 ARG HA H 53 4.460 4.945 -0.485 1
1 340 . 2 1 1 A 54 54 SER H H 54 8.320 8.978 -0.658 1
1 341 . 2 1 1 A 54 54 SER HA H 54 3.690 4.310 -0.620 1
1 344 . 2 1 1 A 55 55 LYS H H 55 6.760 7.801 -1.041 1
1 345 . 2 1 1 A 55 55 LYS HA H 55 4.290 4.543 -0.253 1
1 354 . 2 1 1 A 56 56 CYS H H 56 8.780 8.776 0.004 1
1 355 . 2 1 1 A 56 56 CYS HA H 56 4.690 4.738 -0.048 1
1 358 . 2 1 1 A 57 57 PHE H H 57 8.760 8.043 0.717 1
1 359 . 2 1 1 A 57 57 PHE HA H 57 4.910 4.759 0.151 1
1 367 . 2 1 1 A 58 58 ARG H H 58 8.590 9.076 -0.486 1
1 368 . 2 1 1 A 58 58 ARG HA H 58 4.080 4.141 -0.061 1
1 376 . 2 1 1 A 59 59 HIS H H 59 8.710 8.328 0.382 1
1 377 . 2 1 1 A 59 59 HIS HA H 59 4.790 4.361 0.429 1
1 382 . 2 1 1 A 60 60 GLU H H 60 7.750 7.772 -0.022 1
1 383 . 2 1 1 A 60 60 GLU HA H 60 5.220 4.965 0.255 1
1 388 . 2 1 1 A 61 61 TYR H H 61 9.180 8.850 0.330 1
1 389 . 2 1 1 A 61 61 TYR HA H 61 5.010 5.342 -0.332 1
1 396 . 2 1 1 A 62 62 VAL H H 62 8.490 8.835 -0.345 1
1 397 . 2 1 1 A 62 62 VAL HA H 62 4.020 4.404 -0.384 1
1 405 . 2 1 1 A 63 63 ASP H H 63 9.070 8.155 0.915 1
1 406 . 2 1 1 A 63 63 ASP HA H 63 5.140 4.833 0.307 1
1 409 . 2 1 1 A 64 64 THR H H 64 8.930 8.705 0.225 1
1 410 . 2 1 1 A 64 64 THR HA H 64 4.020 4.000 0.020 1
1 415 . 2 1 1 A 65 65 TYR H H 65 8.440 7.852 0.588 1
1 416 . 2 1 1 A 65 65 TYR HA H 65 4.330 4.248 0.082 1
1 423 . 2 1 1 A 66 66 TYR H H 66 8.010 7.911 0.099 1
1 424 . 2 1 1 A 66 66 TYR HA H 66 4.280 4.320 -0.040 1
1 431 . 2 1 1 A 67 67 SER H H 67 7.770 8.399 -0.629 1
1 432 . 2 1 1 A 67 67 SER HA H 67 4.120 4.412 -0.292 1
1 435 . 2 1 1 A 68 68 ALA H H 68 8.010 7.828 0.182 1
1 436 . 2 1 1 A 68 68 ALA HA H 68 4.230 4.084 0.146 1
1 440 . 2 1 1 A 69 69 VAL H H 69 7.220 7.608 -0.388 1
1 441 . 2 1 1 A 69 69 VAL HA H 69 4.330 3.372 0.958 1
1 449 . 2 1 1 A 70 70 CYS H H 70 7.930 7.528 0.402 1
1 450 . 2 1 1 A 70 70 CYS HA H 70 4.680 4.098 0.582 1
1 453 . 2 1 1 A 71 71 GLY H H 71 7.540 7.573 -0.033 1
1 454 . 2 1 1 A 71 71 GLY HA2 H 71 3.420 4.001 -0.581 1
1 455 . 2 1 1 A 71 71 GLY HA3 H 71 4.030 4.040 -0.010 1
1 456 . 2 1 1 A 72 72 ARG H H 72 8.410 8.316 0.094 1
1 457 . 2 1 1 A 72 72 ARG HA H 72 4.170 3.918 0.252 1
1 465 . 2 1 1 A 73 73 TYR H H 73 7.500 8.035 -0.535 1
1 466 . 2 1 1 A 73 73 TYR HA H 73 4.470 4.556 -0.086 1
1 473 . 2 1 1 A 74 74 PHE H H 74 8.540 8.759 -0.219 1
1 474 . 2 1 1 A 74 74 PHE HA H 74 4.560 5.017 -0.457 1
1 482 . 2 1 1 A 75 75 CYS H H 75 9.110 8.956 0.154 1
1 483 . 2 1 1 A 75 75 CYS HA H 75 4.840 5.015 -0.175 1
1 486 . 2 1 1 A 76 76 CYS H H 76 8.730 8.705 0.025 1
1 487 . 2 1 1 A 76 76 CYS HA H 76 5.080 4.935 0.145 1
1 490 . 2 1 1 A 77 77 ARG H H 77 8.930 7.744 1.186 1
1 491 . 2 1 1 A 77 77 ARG HA H 77 4.770 4.751 0.019 1
1 499 . 2 1 1 A 78 78 SER H H 78 8.770 8.826 -0.056 1
1 500 . 2 1 1 A 78 78 SER HA H 78 4.760 5.104 -0.344 1
1 1 . 3 1 1 A 2 2 PRO HA H 2 4.500 4.655 -0.155 1
1 8 . 3 1 1 A 3 3 LEU H H 3 8.160 8.555 -0.395 1
1 9 . 3 1 1 A 3 3 LEU HA H 3 4.350 4.557 -0.207 1
1 19 . 3 1 1 A 4 4 ILE H H 4 8.160 7.402 0.758 1
1 20 . 3 1 1 A 4 4 ILE HA H 4 4.030 4.201 -0.171 1
1 30 . 3 1 1 A 5 5 PRO HA H 5 4.360 4.640 -0.280 1
1 37 . 3 1 1 A 6 6 ALA H H 6 8.320 8.214 0.106 1
1 38 . 3 1 1 A 6 6 ALA HA H 6 4.000 4.385 -0.385 1
1 42 . 3 1 1 A 7 7 ILE H H 7 7.720 7.969 -0.249 1
1 43 . 3 1 1 A 7 7 ILE HA H 7 3.880 3.627 0.253 1
1 53 . 3 1 1 A 8 8 TYR H H 8 7.530 8.299 -0.769 1
1 54 . 3 1 1 A 8 8 TYR HA H 8 4.230 4.477 -0.247 1
1 61 . 3 1 1 A 9 9 ILE H H 9 7.350 7.740 -0.390 1
1 62 . 3 1 1 A 9 9 ILE HA H 9 3.620 4.552 -0.932 1
1 72 . 3 1 1 A 10 10 GLY H H 10 8.200 8.630 -0.430 1
1 73 . 3 1 1 A 10 10 GLY HA2 H 10 4.000 3.911 0.089 1
1 74 . 3 1 1 A 10 10 GLY HA3 H 10 4.130 3.932 0.198 1
1 75 . 3 1 1 A 11 11 ALA H H 11 8.130 7.339 0.791 1
1 76 . 3 1 1 A 11 11 ALA HA H 11 4.400 4.841 -0.441 1
1 80 . 3 1 1 A 12 12 THR H H 12 8.130 8.545 -0.415 1
1 81 . 3 1 1 A 12 12 THR HA H 12 4.970 5.253 -0.283 1
1 86 . 3 1 1 A 13 13 VAL H H 13 8.690 8.432 0.258 1
1 87 . 3 1 1 A 13 13 VAL HA H 13 4.690 4.346 0.344 1
1 95 . 3 1 1 A 14 14 GLY H H 14 8.440 8.439 0.001 1
1 96 . 3 1 1 A 14 14 GLY HA2 H 14 4.360 4.066 0.294 1
1 97 . 3 1 1 A 14 14 GLY HA3 H 14 3.580 4.171 -0.591 1
1 98 . 3 1 1 A 15 15 PRO HA H 15 4.120 4.483 -0.363 1
1 105 . 3 1 1 A 16 16 SER H H 16 8.880 8.306 0.574 1
1 106 . 3 1 1 A 16 16 SER HA H 16 4.380 4.312 0.068 1
1 109 . 3 1 1 A 17 17 VAL H H 17 7.260 8.150 -0.890 1
1 110 . 3 1 1 A 17 17 VAL HA H 17 3.940 3.715 0.225 1
1 118 . 3 1 1 A 18 18 TRP H H 18 8.840 8.080 0.760 1
1 119 . 3 1 1 A 18 18 TRP HA H 18 3.810 4.221 -0.411 1
1 125 . 3 1 1 A 19 19 ALA H H 19 7.940 8.298 -0.358 1
1 126 . 3 1 1 A 19 19 ALA HA H 19 3.950 3.714 0.236 1
1 130 . 3 1 1 A 20 20 TYR H H 20 7.500 7.738 -0.238 1
1 131 . 3 1 1 A 20 20 TYR HA H 20 4.260 4.174 0.086 1
1 138 . 3 1 1 A 21 21 LEU H H 21 8.100 8.131 -0.031 1
1 139 . 3 1 1 A 21 21 LEU HA H 21 3.380 3.886 -0.506 1
1 149 . 3 1 1 A 22 22 VAL H H 22 8.390 7.808 0.582 1
1 150 . 3 1 1 A 22 22 VAL HA H 22 2.820 3.275 -0.455 1
1 158 . 3 1 1 A 23 23 ALA H H 23 7.530 7.950 -0.420 1
1 159 . 3 1 1 A 23 23 ALA HA H 23 3.980 3.911 0.069 1
1 163 . 3 1 1 A 24 24 LEU H H 24 7.510 7.406 0.104 1
1 164 . 3 1 1 A 24 24 LEU HA H 24 3.980 3.963 0.017 1
1 174 . 3 1 1 A 25 25 VAL H H 25 7.780 7.457 0.323 1
1 175 . 3 1 1 A 25 25 VAL HA H 25 4.550 4.282 0.268 1
1 183 . 3 1 1 A 26 26 GLY H H 26 7.790 7.266 0.524 1
1 184 . 3 1 1 A 26 26 GLY HA2 H 26 3.890 3.972 -0.082 1
1 185 . 3 1 1 A 26 26 GLY HA3 H 26 4.430 4.009 0.421 1
1 186 . 3 1 1 A 27 27 ALA H H 27 8.630 8.669 -0.039 1
1 187 . 3 1 1 A 27 27 ALA HA H 27 3.700 3.979 -0.279 1
1 191 . 3 1 1 A 28 28 ALA H H 28 8.490 8.016 0.474 1
1 192 . 3 1 1 A 28 28 ALA HA H 28 4.070 4.113 -0.043 1
1 196 . 3 1 1 A 29 29 ALA H H 29 8.220 8.129 0.091 1
1 197 . 3 1 1 A 29 29 ALA HA H 29 4.100 4.101 -0.001 1
1 201 . 3 1 1 A 30 30 VAL H H 30 7.230 7.852 -0.622 1
1 202 . 3 1 1 A 30 30 VAL HA H 30 3.280 3.713 -0.433 1
1 210 . 3 1 1 A 31 31 THR H H 31 8.100 7.779 0.321 1
1 211 . 3 1 1 A 31 31 THR HA H 31 4.150 4.363 -0.213 1
1 216 . 3 1 1 A 32 32 ALA H H 32 8.150 7.638 0.512 1
1 217 . 3 1 1 A 32 32 ALA HA H 32 4.220 4.232 -0.012 1
1 221 . 3 1 1 A 33 33 ALA H H 33 7.240 7.551 -0.311 1
1 222 . 3 1 1 A 33 33 ALA HA H 33 4.470 4.381 0.089 1
1 226 . 3 1 1 A 34 34 ASN H H 34 8.240 8.212 0.028 1
1 227 . 3 1 1 A 34 34 ASN HA H 34 4.440 4.425 0.015 1
1 230 . 3 1 1 A 35 35 ILE H H 35 6.980 7.670 -0.690 1
1 231 . 3 1 1 A 35 35 ILE HA H 35 4.660 4.551 0.109 1
1 241 . 3 1 1 A 36 36 ARG H H 36 8.830 8.783 0.047 1
1 242 . 3 1 1 A 36 36 ARG HA H 36 4.640 4.597 0.043 1
1 250 . 3 1 1 A 37 37 ARG H H 37 8.250 8.315 -0.065 1
1 251 . 3 1 1 A 37 37 ARG HA H 37 4.450 4.930 -0.480 1
1 259 . 3 1 1 A 38 38 ALA H H 38 8.960 8.020 0.940 1
1 260 . 3 1 1 A 38 38 ALA HA H 38 4.680 4.688 -0.008 1
1 264 . 3 1 1 A 39 39 SER H H 39 8.580 8.628 -0.048 1
1 265 . 3 1 1 A 39 39 SER HA H 39 4.200 4.186 0.014 1
1 268 . 3 1 1 A 40 40 SER H H 40 7.890 7.829 0.061 1
1 269 . 3 1 1 A 40 40 SER HA H 40 4.650 4.754 -0.104 1
1 272 . 3 1 1 A 41 41 ASP H H 41 8.350 8.674 -0.324 1
1 273 . 3 1 1 A 41 41 ASP HA H 41 4.470 4.605 -0.135 1
1 276 . 3 1 1 A 42 42 ASN H H 42 8.000 7.568 0.432 1
1 277 . 3 1 1 A 42 42 ASN HA H 42 4.680 4.648 0.032 1
1 280 . 3 1 1 A 43 43 HIS H H 43 6.580 8.146 -1.566 1
1 281 . 3 1 1 A 43 43 HIS HA H 43 4.210 5.423 -1.213 1
1 286 . 3 1 1 A 44 44 SER H H 44 8.430 8.417 0.013 1
1 287 . 3 1 1 A 44 44 SER HA H 44 4.010 3.239 0.771 1
1 290 . 3 1 1 A 45 45 CYS H H 45 8.050 7.724 0.326 1
1 291 . 3 1 1 A 45 45 CYS HA H 45 4.880 4.688 0.192 1
1 294 . 3 1 1 A 46 46 ALA H H 46 8.400 7.790 0.610 1
1 295 . 3 1 1 A 46 46 ALA HA H 46 2.370 3.545 -1.175 1
1 299 . 3 1 1 A 47 47 GLY H H 47 8.270 8.203 0.067 1
1 300 . 3 1 1 A 47 47 GLY HA2 H 47 3.730 3.837 -0.107 1
1 301 . 3 1 1 A 47 47 GLY HA3 H 47 3.790 3.871 -0.081 1
1 302 . 3 1 1 A 48 48 ASN H H 48 8.220 8.802 -0.582 1
1 303 . 3 1 1 A 48 48 ASN HA H 48 4.570 4.628 -0.058 1
1 306 . 3 1 1 A 49 49 ARG H H 49 7.600 7.395 0.205 1
1 307 . 3 1 1 A 49 49 ARG HA H 49 4.600 4.312 0.288 1
1 315 . 3 1 1 A 50 50 GLY H H 50 8.120 7.430 0.690 1
1 316 . 3 1 1 A 50 50 GLY HA2 H 50 4.860 3.964 0.896 1
1 317 . 3 1 1 A 50 50 GLY HA3 H 50 3.410 4.059 -0.649 1
1 318 . 3 1 1 A 51 51 TRP H H 51 8.920 8.243 0.677 1
1 319 . 3 1 1 A 51 51 TRP HA H 51 4.470 5.300 -0.830 1
1 328 . 3 1 1 A 52 52 CYS H H 52 7.770 8.807 -1.037 1
1 329 . 3 1 1 A 52 52 CYS HA H 52 5.730 5.346 0.384 1
1 332 . 3 1 1 A 53 53 ARG H H 53 9.340 8.502 0.838 1
1 333 . 3 1 1 A 53 53 ARG HA H 53 4.460 4.695 -0.235 1
1 340 . 3 1 1 A 54 54 SER H H 54 8.320 8.841 -0.521 1
1 341 . 3 1 1 A 54 54 SER HA H 54 3.690 3.969 -0.279 1
1 344 . 3 1 1 A 55 55 LYS H H 55 6.760 7.886 -1.126 1
1 345 . 3 1 1 A 55 55 LYS HA H 55 4.290 4.916 -0.626 1
1 354 . 3 1 1 A 56 56 CYS H H 56 8.780 8.564 0.216 1
1 355 . 3 1 1 A 56 56 CYS HA H 56 4.690 5.329 -0.639 1
1 358 . 3 1 1 A 57 57 PHE H H 57 8.760 9.098 -0.338 1
1 359 . 3 1 1 A 57 57 PHE HA H 57 4.910 4.857 0.053 1
1 367 . 3 1 1 A 58 58 ARG H H 58 8.590 9.104 -0.514 1
1 368 . 3 1 1 A 58 58 ARG HA H 58 4.080 4.156 -0.076 1
1 376 . 3 1 1 A 59 59 HIS H H 59 8.710 8.247 0.463 1
1 377 . 3 1 1 A 59 59 HIS HA H 59 4.790 4.275 0.515 1
1 382 . 3 1 1 A 60 60 GLU H H 60 7.750 7.978 -0.228 1
1 383 . 3 1 1 A 60 60 GLU HA H 60 5.220 4.983 0.237 1
1 388 . 3 1 1 A 61 61 TYR H H 61 9.180 8.822 0.358 1
1 389 . 3 1 1 A 61 61 TYR HA H 61 5.010 5.460 -0.450 1
1 396 . 3 1 1 A 62 62 VAL H H 62 8.490 8.857 -0.367 1
1 397 . 3 1 1 A 62 62 VAL HA H 62 4.020 4.489 -0.469 1
1 405 . 3 1 1 A 63 63 ASP H H 63 9.070 8.143 0.927 1
1 406 . 3 1 1 A 63 63 ASP HA H 63 5.140 4.894 0.246 1
1 409 . 3 1 1 A 64 64 THR H H 64 8.930 8.618 0.312 1
1 410 . 3 1 1 A 64 64 THR HA H 64 4.020 3.986 0.034 1
1 415 . 3 1 1 A 65 65 TYR H H 65 8.440 7.774 0.666 1
1 416 . 3 1 1 A 65 65 TYR HA H 65 4.330 4.279 0.051 1
1 423 . 3 1 1 A 66 66 TYR H H 66 8.010 8.367 -0.357 1
1 424 . 3 1 1 A 66 66 TYR HA H 66 4.280 4.422 -0.142 1
1 431 . 3 1 1 A 67 67 SER H H 67 7.770 8.349 -0.579 1
1 432 . 3 1 1 A 67 67 SER HA H 67 4.120 4.493 -0.373 1
1 435 . 3 1 1 A 68 68 ALA H H 68 8.010 7.866 0.144 1
1 436 . 3 1 1 A 68 68 ALA HA H 68 4.230 4.155 0.075 1
1 440 . 3 1 1 A 69 69 VAL H H 69 7.220 7.768 -0.548 1
1 441 . 3 1 1 A 69 69 VAL HA H 69 4.330 3.472 0.858 1
1 449 . 3 1 1 A 70 70 CYS H H 70 7.930 7.493 0.437 1
1 450 . 3 1 1 A 70 70 CYS HA H 70 4.680 4.352 0.328 1
1 453 . 3 1 1 A 71 71 GLY H H 71 7.540 8.047 -0.507 1
1 454 . 3 1 1 A 71 71 GLY HA2 H 71 3.420 4.047 -0.627 1
1 455 . 3 1 1 A 71 71 GLY HA3 H 71 4.030 4.061 -0.031 1
1 456 . 3 1 1 A 72 72 ARG H H 72 8.410 8.848 -0.438 1
1 457 . 3 1 1 A 72 72 ARG HA H 72 4.170 4.088 0.082 1
1 465 . 3 1 1 A 73 73 TYR H H 73 7.500 7.924 -0.424 1
1 466 . 3 1 1 A 73 73 TYR HA H 73 4.470 3.985 0.485 1
1 473 . 3 1 1 A 74 74 PHE H H 74 8.540 8.279 0.261 1
1 474 . 3 1 1 A 74 74 PHE HA H 74 4.560 5.009 -0.449 1
1 482 . 3 1 1 A 75 75 CYS H H 75 9.110 8.986 0.124 1
1 483 . 3 1 1 A 75 75 CYS HA H 75 4.840 5.313 -0.473 1
1 486 . 3 1 1 A 76 76 CYS H H 76 8.730 8.466 0.264 1
1 487 . 3 1 1 A 76 76 CYS HA H 76 5.080 4.971 0.109 1
1 490 . 3 1 1 A 77 77 ARG H H 77 8.930 7.843 1.087 1
1 491 . 3 1 1 A 77 77 ARG HA H 77 4.770 4.814 -0.044 1
1 499 . 3 1 1 A 78 78 SER H H 78 8.770 8.911 -0.141 1
1 500 . 3 1 1 A 78 78 SER HA H 78 4.760 5.071 -0.311 1
1 1 . 4 1 1 A 2 2 PRO HA H 2 4.500 4.530 -0.030 1
1 8 . 4 1 1 A 3 3 LEU H H 3 8.160 8.330 -0.170 1
1 9 . 4 1 1 A 3 3 LEU HA H 3 4.350 4.483 -0.133 1
1 19 . 4 1 1 A 4 4 ILE H H 4 8.160 8.329 -0.169 1
1 20 . 4 1 1 A 4 4 ILE HA H 4 4.030 4.179 -0.149 1
1 30 . 4 1 1 A 5 5 PRO HA H 5 4.360 4.471 -0.111 1
1 37 . 4 1 1 A 6 6 ALA H H 6 8.320 8.290 0.030 1
1 38 . 4 1 1 A 6 6 ALA HA H 6 4.000 4.047 -0.047 1
1 42 . 4 1 1 A 7 7 ILE H H 7 7.720 7.681 0.039 1
1 43 . 4 1 1 A 7 7 ILE HA H 7 3.880 3.775 0.105 1
1 53 . 4 1 1 A 8 8 TYR H H 8 7.530 7.645 -0.115 1
1 54 . 4 1 1 A 8 8 TYR HA H 8 4.230 4.491 -0.261 1
1 61 . 4 1 1 A 9 9 ILE H H 9 7.350 7.616 -0.266 1
1 62 . 4 1 1 A 9 9 ILE HA H 9 3.620 4.603 -0.983 1
1 72 . 4 1 1 A 10 10 GLY H H 10 8.200 8.777 -0.577 1
1 73 . 4 1 1 A 10 10 GLY HA2 H 10 4.000 3.913 0.087 1
1 74 . 4 1 1 A 10 10 GLY HA3 H 10 4.130 3.916 0.214 1
1 75 . 4 1 1 A 11 11 ALA H H 11 8.130 7.415 0.715 1
1 76 . 4 1 1 A 11 11 ALA HA H 11 4.400 4.950 -0.550 1
1 80 . 4 1 1 A 12 12 THR H H 12 8.130 8.789 -0.659 1
1 81 . 4 1 1 A 12 12 THR HA H 12 4.970 5.376 -0.406 1
1 86 . 4 1 1 A 13 13 VAL H H 13 8.690 8.402 0.288 1
1 87 . 4 1 1 A 13 13 VAL HA H 13 4.690 4.454 0.236 1
1 95 . 4 1 1 A 14 14 GLY H H 14 8.440 8.406 0.034 1
1 96 . 4 1 1 A 14 14 GLY HA2 H 14 4.360 4.082 0.278 1
1 97 . 4 1 1 A 14 14 GLY HA3 H 14 3.580 4.185 -0.605 1
1 98 . 4 1 1 A 15 15 PRO HA H 15 4.120 4.375 -0.255 1
1 105 . 4 1 1 A 16 16 SER H H 16 8.880 8.121 0.759 1
1 106 . 4 1 1 A 16 16 SER HA H 16 4.380 4.260 0.120 1
1 109 . 4 1 1 A 17 17 VAL H H 17 7.260 8.048 -0.788 1
1 110 . 4 1 1 A 17 17 VAL HA H 17 3.940 3.583 0.357 1
1 118 . 4 1 1 A 18 18 TRP H H 18 8.840 8.111 0.729 1
1 119 . 4 1 1 A 18 18 TRP HA H 18 3.810 4.099 -0.289 1
1 125 . 4 1 1 A 19 19 ALA H H 19 7.940 8.350 -0.410 1
1 126 . 4 1 1 A 19 19 ALA HA H 19 3.950 4.077 -0.127 1
1 130 . 4 1 1 A 20 20 TYR H H 20 7.500 7.765 -0.265 1
1 131 . 4 1 1 A 20 20 TYR HA H 20 4.260 4.127 0.133 1
1 138 . 4 1 1 A 21 21 LEU H H 21 8.100 8.021 0.079 1
1 139 . 4 1 1 A 21 21 LEU HA H 21 3.380 3.987 -0.607 1
1 149 . 4 1 1 A 22 22 VAL H H 22 8.390 7.540 0.850 1
1 150 . 4 1 1 A 22 22 VAL HA H 22 2.820 3.263 -0.443 1
1 158 . 4 1 1 A 23 23 ALA H H 23 7.530 7.960 -0.430 1
1 159 . 4 1 1 A 23 23 ALA HA H 23 3.980 3.888 0.092 1
1 163 . 4 1 1 A 24 24 LEU H H 24 7.510 7.650 -0.140 1
1 164 . 4 1 1 A 24 24 LEU HA H 24 3.980 4.012 -0.032 1
1 174 . 4 1 1 A 25 25 VAL H H 25 7.780 7.815 -0.035 1
1 175 . 4 1 1 A 25 25 VAL HA H 25 4.550 4.341 0.209 1
1 183 . 4 1 1 A 26 26 GLY H H 26 7.790 7.283 0.507 1
1 184 . 4 1 1 A 26 26 GLY HA2 H 26 3.890 3.997 -0.107 1
1 185 . 4 1 1 A 26 26 GLY HA3 H 26 4.430 4.020 0.410 1
1 186 . 4 1 1 A 27 27 ALA H H 27 8.630 8.931 -0.301 1
1 187 . 4 1 1 A 27 27 ALA HA H 27 3.700 4.031 -0.331 1
1 191 . 4 1 1 A 28 28 ALA H H 28 8.490 7.970 0.520 1
1 192 . 4 1 1 A 28 28 ALA HA H 28 4.070 4.115 -0.045 1
1 196 . 4 1 1 A 29 29 ALA H H 29 8.220 8.125 0.095 1
1 197 . 4 1 1 A 29 29 ALA HA H 29 4.100 4.128 -0.028 1
1 201 . 4 1 1 A 30 30 VAL H H 30 7.230 7.607 -0.377 1
1 202 . 4 1 1 A 30 30 VAL HA H 30 3.280 3.586 -0.306 1
1 210 . 4 1 1 A 31 31 THR H H 31 8.100 7.988 0.112 1
1 211 . 4 1 1 A 31 31 THR HA H 31 4.150 4.168 -0.018 1
1 216 . 4 1 1 A 32 32 ALA H H 32 8.150 8.095 0.055 1
1 217 . 4 1 1 A 32 32 ALA HA H 32 4.220 4.181 0.039 1
1 221 . 4 1 1 A 33 33 ALA H H 33 7.240 7.440 -0.200 1
1 222 . 4 1 1 A 33 33 ALA HA H 33 4.470 4.376 0.094 1
1 226 . 4 1 1 A 34 34 ASN H H 34 8.240 7.903 0.337 1
1 227 . 4 1 1 A 34 34 ASN HA H 34 4.440 4.446 -0.006 1
1 230 . 4 1 1 A 35 35 ILE H H 35 6.980 7.764 -0.784 1
1 231 . 4 1 1 A 35 35 ILE HA H 35 4.660 4.573 0.087 1
1 241 . 4 1 1 A 36 36 ARG H H 36 8.830 8.834 -0.004 1
1 242 . 4 1 1 A 36 36 ARG HA H 36 4.640 4.532 0.108 1
1 250 . 4 1 1 A 37 37 ARG H H 37 8.250 8.479 -0.229 1
1 251 . 4 1 1 A 37 37 ARG HA H 37 4.450 4.999 -0.549 1
1 259 . 4 1 1 A 38 38 ALA H H 38 8.960 8.038 0.922 1
1 260 . 4 1 1 A 38 38 ALA HA H 38 4.680 4.710 -0.030 1
1 264 . 4 1 1 A 39 39 SER H H 39 8.580 8.849 -0.269 1
1 265 . 4 1 1 A 39 39 SER HA H 39 4.200 4.245 -0.045 1
1 268 . 4 1 1 A 40 40 SER H H 40 7.890 7.839 0.051 1
1 269 . 4 1 1 A 40 40 SER HA H 40 4.650 4.754 -0.104 1
1 272 . 4 1 1 A 41 41 ASP H H 41 8.350 8.763 -0.413 1
1 273 . 4 1 1 A 41 41 ASP HA H 41 4.470 4.707 -0.237 1
1 276 . 4 1 1 A 42 42 ASN H H 42 8.000 7.898 0.102 1
1 277 . 4 1 1 A 42 42 ASN HA H 42 4.680 5.037 -0.357 1
1 280 . 4 1 1 A 43 43 HIS H H 43 6.580 8.410 -1.830 1
1 281 . 4 1 1 A 43 43 HIS HA H 43 4.210 5.651 -1.441 1
1 286 . 4 1 1 A 44 44 SER H H 44 8.430 8.591 -0.161 1
1 287 . 4 1 1 A 44 44 SER HA H 44 4.010 3.431 0.579 1
1 290 . 4 1 1 A 45 45 CYS H H 45 8.050 7.919 0.131 1
1 291 . 4 1 1 A 45 45 CYS HA H 45 4.880 4.896 -0.016 1
1 294 . 4 1 1 A 46 46 ALA H H 46 8.400 8.147 0.253 1
1 295 . 4 1 1 A 46 46 ALA HA H 46 2.370 3.209 -0.839 1
1 299 . 4 1 1 A 47 47 GLY H H 47 8.270 8.253 0.017 1
1 300 . 4 1 1 A 47 47 GLY HA2 H 47 3.730 3.871 -0.141 1
1 301 . 4 1 1 A 47 47 GLY HA3 H 47 3.790 3.874 -0.084 1
1 302 . 4 1 1 A 48 48 ASN H H 48 8.220 8.876 -0.656 1
1 303 . 4 1 1 A 48 48 ASN HA H 48 4.570 4.489 0.081 1
1 306 . 4 1 1 A 49 49 ARG H H 49 7.600 7.361 0.239 1
1 307 . 4 1 1 A 49 49 ARG HA H 49 4.600 4.345 0.255 1
1 315 . 4 1 1 A 50 50 GLY H H 50 8.120 7.435 0.685 1
1 316 . 4 1 1 A 50 50 GLY HA2 H 50 4.860 3.962 0.898 1
1 317 . 4 1 1 A 50 50 GLY HA3 H 50 3.410 4.070 -0.660 1
1 318 . 4 1 1 A 51 51 TRP H H 51 8.920 8.336 0.584 1
1 319 . 4 1 1 A 51 51 TRP HA H 51 4.470 5.398 -0.928 1
1 328 . 4 1 1 A 52 52 CYS H H 52 7.770 8.918 -1.148 1
1 329 . 4 1 1 A 52 52 CYS HA H 52 5.730 5.366 0.364 1
1 332 . 4 1 1 A 53 53 ARG H H 53 9.340 8.510 0.830 1
1 333 . 4 1 1 A 53 53 ARG HA H 53 4.460 4.537 -0.077 1
1 340 . 4 1 1 A 54 54 SER H H 54 8.320 8.448 -0.128 1
1 341 . 4 1 1 A 54 54 SER HA H 54 3.690 4.495 -0.805 1
1 344 . 4 1 1 A 55 55 LYS H H 55 6.760 7.671 -0.911 1
1 345 . 4 1 1 A 55 55 LYS HA H 55 4.290 4.537 -0.247 1
1 354 . 4 1 1 A 56 56 CYS H H 56 8.780 8.412 0.368 1
1 355 . 4 1 1 A 56 56 CYS HA H 56 4.690 4.650 0.040 1
1 358 . 4 1 1 A 57 57 PHE H H 57 8.760 8.478 0.282 1
1 359 . 4 1 1 A 57 57 PHE HA H 57 4.910 4.822 0.088 1
1 367 . 4 1 1 A 58 58 ARG H H 58 8.590 9.115 -0.525 1
1 368 . 4 1 1 A 58 58 ARG HA H 58 4.080 4.157 -0.077 1
1 376 . 4 1 1 A 59 59 HIS H H 59 8.710 8.352 0.358 1
1 377 . 4 1 1 A 59 59 HIS HA H 59 4.790 4.327 0.463 1
1 382 . 4 1 1 A 60 60 GLU H H 60 7.750 7.887 -0.137 1
1 383 . 4 1 1 A 60 60 GLU HA H 60 5.220 4.920 0.300 1
1 388 . 4 1 1 A 61 61 TYR H H 61 9.180 8.876 0.304 1
1 389 . 4 1 1 A 61 61 TYR HA H 61 5.010 5.346 -0.336 1
1 396 . 4 1 1 A 62 62 VAL H H 62 8.490 8.679 -0.189 1
1 397 . 4 1 1 A 62 62 VAL HA H 62 4.020 4.343 -0.323 1
1 405 . 4 1 1 A 63 63 ASP H H 63 9.070 8.181 0.889 1
1 406 . 4 1 1 A 63 63 ASP HA H 63 5.140 4.827 0.313 1
1 409 . 4 1 1 A 64 64 THR H H 64 8.930 8.634 0.296 1
1 410 . 4 1 1 A 64 64 THR HA H 64 4.020 3.995 0.025 1
1 415 . 4 1 1 A 65 65 TYR H H 65 8.440 8.198 0.242 1
1 416 . 4 1 1 A 65 65 TYR HA H 65 4.330 4.239 0.091 1
1 423 . 4 1 1 A 66 66 TYR H H 66 8.010 8.292 -0.282 1
1 424 . 4 1 1 A 66 66 TYR HA H 66 4.280 4.567 -0.287 1
1 431 . 4 1 1 A 67 67 SER H H 67 7.770 8.251 -0.481 1
1 432 . 4 1 1 A 67 67 SER HA H 67 4.120 4.133 -0.013 1
1 435 . 4 1 1 A 68 68 ALA H H 68 8.010 7.774 0.236 1
1 436 . 4 1 1 A 68 68 ALA HA H 68 4.230 4.034 0.196 1
1 440 . 4 1 1 A 69 69 VAL H H 69 7.220 8.100 -0.880 1
1 441 . 4 1 1 A 69 69 VAL HA H 69 4.330 4.072 0.258 1
1 449 . 4 1 1 A 70 70 CYS H H 70 7.930 7.663 0.267 1
1 450 . 4 1 1 A 70 70 CYS HA H 70 4.680 4.149 0.531 1
1 453 . 4 1 1 A 71 71 GLY H H 71 7.540 7.671 -0.131 1
1 454 . 4 1 1 A 71 71 GLY HA2 H 71 3.420 3.931 -0.511 1
1 455 . 4 1 1 A 71 71 GLY HA3 H 71 4.030 3.966 0.064 1
1 456 . 4 1 1 A 72 72 ARG H H 72 8.410 8.530 -0.120 1
1 457 . 4 1 1 A 72 72 ARG HA H 72 4.170 3.839 0.331 1
1 465 . 4 1 1 A 73 73 TYR H H 73 7.500 7.589 -0.089 1
1 466 . 4 1 1 A 73 73 TYR HA H 73 4.470 4.901 -0.431 1
1 473 . 4 1 1 A 74 74 PHE H H 74 8.540 9.071 -0.531 1
1 474 . 4 1 1 A 74 74 PHE HA H 74 4.560 5.078 -0.518 1
1 482 . 4 1 1 A 75 75 CYS H H 75 9.110 8.952 0.158 1
1 483 . 4 1 1 A 75 75 CYS HA H 75 4.840 5.110 -0.270 1
1 486 . 4 1 1 A 76 76 CYS H H 76 8.730 8.570 0.160 1
1 487 . 4 1 1 A 76 76 CYS HA H 76 5.080 5.070 0.010 1
1 490 . 4 1 1 A 77 77 ARG H H 77 8.930 7.949 0.981 1
1 491 . 4 1 1 A 77 77 ARG HA H 77 4.770 4.781 -0.011 1
1 499 . 4 1 1 A 78 78 SER H H 78 8.770 8.739 0.031 1
1 500 . 4 1 1 A 78 78 SER HA H 78 4.760 5.326 -0.566 1
1 1 . 5 1 1 A 2 2 PRO HA H 2 4.500 4.453 0.047 1
1 8 . 5 1 1 A 3 3 LEU H H 3 8.160 8.603 -0.443 1
1 9 . 5 1 1 A 3 3 LEU HA H 3 4.350 4.081 0.269 1
1 19 . 5 1 1 A 4 4 ILE H H 4 8.160 8.561 -0.401 1
1 20 . 5 1 1 A 4 4 ILE HA H 4 4.030 4.189 -0.159 1
1 30 . 5 1 1 A 5 5 PRO HA H 5 4.360 4.536 -0.176 1
1 37 . 5 1 1 A 6 6 ALA H H 6 8.320 8.503 -0.183 1
1 38 . 5 1 1 A 6 6 ALA HA H 6 4.000 4.041 -0.041 1
1 42 . 5 1 1 A 7 7 ILE H H 7 7.720 7.962 -0.242 1
1 43 . 5 1 1 A 7 7 ILE HA H 7 3.880 3.650 0.230 1
1 53 . 5 1 1 A 8 8 TYR H H 8 7.530 8.205 -0.675 1
1 54 . 5 1 1 A 8 8 TYR HA H 8 4.230 4.362 -0.132 1
1 61 . 5 1 1 A 9 9 ILE H H 9 7.350 7.686 -0.336 1
1 62 . 5 1 1 A 9 9 ILE HA H 9 3.620 4.568 -0.948 1
1 72 . 5 1 1 A 10 10 GLY H H 10 8.200 8.766 -0.566 1
1 73 . 5 1 1 A 10 10 GLY HA2 H 10 4.000 3.896 0.104 1
1 74 . 5 1 1 A 10 10 GLY HA3 H 10 4.130 3.913 0.217 1
1 75 . 5 1 1 A 11 11 ALA H H 11 8.130 7.372 0.758 1
1 76 . 5 1 1 A 11 11 ALA HA H 11 4.400 4.974 -0.574 1
1 80 . 5 1 1 A 12 12 THR H H 12 8.130 8.598 -0.468 1
1 81 . 5 1 1 A 12 12 THR HA H 12 4.970 5.282 -0.312 1
1 86 . 5 1 1 A 13 13 VAL H H 13 8.690 8.431 0.259 1
1 87 . 5 1 1 A 13 13 VAL HA H 13 4.690 4.305 0.385 1
1 95 . 5 1 1 A 14 14 GLY H H 14 8.440 8.457 -0.017 1
1 96 . 5 1 1 A 14 14 GLY HA2 H 14 4.360 4.098 0.262 1
1 97 . 5 1 1 A 14 14 GLY HA3 H 14 3.580 4.184 -0.604 1
1 98 . 5 1 1 A 15 15 PRO HA H 15 4.120 4.499 -0.379 1
1 105 . 5 1 1 A 16 16 SER H H 16 8.880 8.319 0.561 1
1 106 . 5 1 1 A 16 16 SER HA H 16 4.380 4.302 0.078 1
1 109 . 5 1 1 A 17 17 VAL H H 17 7.260 8.179 -0.919 1
1 110 . 5 1 1 A 17 17 VAL HA H 17 3.940 3.816 0.124 1
1 118 . 5 1 1 A 18 18 TRP H H 18 8.840 8.035 0.805 1
1 119 . 5 1 1 A 18 18 TRP HA H 18 3.810 4.215 -0.405 1
1 125 . 5 1 1 A 19 19 ALA H H 19 7.940 8.086 -0.146 1
1 126 . 5 1 1 A 19 19 ALA HA H 19 3.950 3.765 0.185 1
1 130 . 5 1 1 A 20 20 TYR H H 20 7.500 7.948 -0.448 1
1 131 . 5 1 1 A 20 20 TYR HA H 20 4.260 4.118 0.142 1
1 138 . 5 1 1 A 21 21 LEU H H 21 8.100 7.955 0.145 1
1 139 . 5 1 1 A 21 21 LEU HA H 21 3.380 3.481 -0.101 1
1 149 . 5 1 1 A 22 22 VAL H H 22 8.390 7.748 0.642 1
1 150 . 5 1 1 A 22 22 VAL HA H 22 2.820 3.419 -0.599 1
1 158 . 5 1 1 A 23 23 ALA H H 23 7.530 8.018 -0.488 1
1 159 . 5 1 1 A 23 23 ALA HA H 23 3.980 3.923 0.057 1
1 163 . 5 1 1 A 24 24 LEU H H 24 7.510 7.606 -0.096 1
1 164 . 5 1 1 A 24 24 LEU HA H 24 3.980 4.036 -0.056 1
1 174 . 5 1 1 A 25 25 VAL H H 25 7.780 7.911 -0.131 1
1 175 . 5 1 1 A 25 25 VAL HA H 25 4.550 4.311 0.239 1
1 183 . 5 1 1 A 26 26 GLY H H 26 7.790 7.330 0.460 1
1 184 . 5 1 1 A 26 26 GLY HA2 H 26 3.890 3.976 -0.086 1
1 185 . 5 1 1 A 26 26 GLY HA3 H 26 4.430 4.002 0.428 1
1 186 . 5 1 1 A 27 27 ALA H H 27 8.630 8.901 -0.271 1
1 187 . 5 1 1 A 27 27 ALA HA H 27 3.700 3.933 -0.233 1
1 191 . 5 1 1 A 28 28 ALA H H 28 8.490 7.883 0.607 1
1 192 . 5 1 1 A 28 28 ALA HA H 28 4.070 4.114 -0.044 1
1 196 . 5 1 1 A 29 29 ALA H H 29 8.220 8.109 0.111 1
1 197 . 5 1 1 A 29 29 ALA HA H 29 4.100 4.138 -0.038 1
1 201 . 5 1 1 A 30 30 VAL H H 30 7.230 7.772 -0.542 1
1 202 . 5 1 1 A 30 30 VAL HA H 30 3.280 3.714 -0.434 1
1 210 . 5 1 1 A 31 31 THR H H 31 8.100 7.661 0.439 1
1 211 . 5 1 1 A 31 31 THR HA H 31 4.150 4.312 -0.162 1
1 216 . 5 1 1 A 32 32 ALA H H 32 8.150 7.904 0.246 1
1 217 . 5 1 1 A 32 32 ALA HA H 32 4.220 4.207 0.013 1
1 221 . 5 1 1 A 33 33 ALA H H 33 7.240 7.470 -0.230 1
1 222 . 5 1 1 A 33 33 ALA HA H 33 4.470 4.378 0.092 1
1 226 . 5 1 1 A 34 34 ASN H H 34 8.240 8.108 0.132 1
1 227 . 5 1 1 A 34 34 ASN HA H 34 4.440 4.423 0.017 1
1 230 . 5 1 1 A 35 35 ILE H H 35 6.980 7.710 -0.730 1
1 231 . 5 1 1 A 35 35 ILE HA H 35 4.660 4.588 0.072 1
1 241 . 5 1 1 A 36 36 ARG H H 36 8.830 8.755 0.075 1
1 242 . 5 1 1 A 36 36 ARG HA H 36 4.640 4.554 0.086 1
1 250 . 5 1 1 A 37 37 ARG H H 37 8.250 8.344 -0.094 1
1 251 . 5 1 1 A 37 37 ARG HA H 37 4.450 4.681 -0.231 1
1 259 . 5 1 1 A 38 38 ALA H H 38 8.960 8.018 0.942 1
1 260 . 5 1 1 A 38 38 ALA HA H 38 4.680 4.753 -0.073 1
1 264 . 5 1 1 A 39 39 SER H H 39 8.580 8.568 0.012 1
1 265 . 5 1 1 A 39 39 SER HA H 39 4.200 4.195 0.005 1
1 268 . 5 1 1 A 40 40 SER H H 40 7.890 7.748 0.142 1
1 269 . 5 1 1 A 40 40 SER HA H 40 4.650 4.759 -0.109 1
1 272 . 5 1 1 A 41 41 ASP H H 41 8.350 8.663 -0.313 1
1 273 . 5 1 1 A 41 41 ASP HA H 41 4.470 4.643 -0.173 1
1 276 . 5 1 1 A 42 42 ASN H H 42 8.000 7.789 0.211 1
1 277 . 5 1 1 A 42 42 ASN HA H 42 4.680 5.109 -0.429 1
1 280 . 5 1 1 A 43 43 HIS H H 43 6.580 8.321 -1.741 1
1 281 . 5 1 1 A 43 43 HIS HA H 43 4.210 5.533 -1.323 1
1 286 . 5 1 1 A 44 44 SER H H 44 8.430 8.487 -0.057 1
1 287 . 5 1 1 A 44 44 SER HA H 44 4.010 3.629 0.381 1
1 290 . 5 1 1 A 45 45 CYS H H 45 8.050 7.932 0.118 1
1 291 . 5 1 1 A 45 45 CYS HA H 45 4.880 4.613 0.267 1
1 294 . 5 1 1 A 46 46 ALA H H 46 8.400 6.577 1.823 1
1 295 . 5 1 1 A 46 46 ALA HA H 46 2.370 3.353 -0.983 1
1 299 . 5 1 1 A 47 47 GLY H H 47 8.270 8.083 0.187 1
1 300 . 5 1 1 A 47 47 GLY HA2 H 47 3.730 3.839 -0.109 1
1 301 . 5 1 1 A 47 47 GLY HA3 H 47 3.790 3.855 -0.065 1
1 302 . 5 1 1 A 48 48 ASN H H 48 8.220 8.638 -0.418 1
1 303 . 5 1 1 A 48 48 ASN HA H 48 4.570 4.646 -0.076 1
1 306 . 5 1 1 A 49 49 ARG H H 49 7.600 7.566 0.034 1
1 307 . 5 1 1 A 49 49 ARG HA H 49 4.600 4.476 0.124 1
1 315 . 5 1 1 A 50 50 GLY H H 50 8.120 7.460 0.660 1
1 316 . 5 1 1 A 50 50 GLY HA2 H 50 4.860 3.958 0.902 1
1 317 . 5 1 1 A 50 50 GLY HA3 H 50 3.410 4.041 -0.631 1
1 318 . 5 1 1 A 51 51 TRP H H 51 8.920 8.283 0.637 1
1 319 . 5 1 1 A 51 51 TRP HA H 51 4.470 5.333 -0.863 1
1 328 . 5 1 1 A 52 52 CYS H H 52 7.770 8.851 -1.081 1
1 329 . 5 1 1 A 52 52 CYS HA H 52 5.730 5.544 0.186 1
1 332 . 5 1 1 A 53 53 ARG H H 53 9.340 8.415 0.925 1
1 333 . 5 1 1 A 53 53 ARG HA H 53 4.460 4.511 -0.051 1
1 340 . 5 1 1 A 54 54 SER H H 54 8.320 8.417 -0.097 1
1 341 . 5 1 1 A 54 54 SER HA H 54 3.690 4.244 -0.554 1
1 344 . 5 1 1 A 55 55 LYS H H 55 6.760 7.748 -0.988 1
1 345 . 5 1 1 A 55 55 LYS HA H 55 4.290 4.965 -0.675 1
1 354 . 5 1 1 A 56 56 CYS H H 56 8.780 8.746 0.034 1
1 355 . 5 1 1 A 56 56 CYS HA H 56 4.690 4.876 -0.186 1
1 358 . 5 1 1 A 57 57 PHE H H 57 8.760 9.018 -0.258 1
1 359 . 5 1 1 A 57 57 PHE HA H 57 4.910 4.833 0.077 1
1 367 . 5 1 1 A 58 58 ARG H H 58 8.590 9.082 -0.492 1
1 368 . 5 1 1 A 58 58 ARG HA H 58 4.080 4.130 -0.050 1
1 376 . 5 1 1 A 59 59 HIS H H 59 8.710 8.002 0.708 1
1 377 . 5 1 1 A 59 59 HIS HA H 59 4.790 4.523 0.267 1
1 382 . 5 1 1 A 60 60 GLU H H 60 7.750 7.797 -0.047 1
1 383 . 5 1 1 A 60 60 GLU HA H 60 5.220 5.219 0.001 1
1 388 . 5 1 1 A 61 61 TYR H H 61 9.180 8.602 0.578 1
1 389 . 5 1 1 A 61 61 TYR HA H 61 5.010 5.532 -0.522 1
1 396 . 5 1 1 A 62 62 VAL H H 62 8.490 8.944 -0.454 1
1 397 . 5 1 1 A 62 62 VAL HA H 62 4.020 4.359 -0.339 1
1 405 . 5 1 1 A 63 63 ASP H H 63 9.070 8.468 0.602 1
1 406 . 5 1 1 A 63 63 ASP HA H 63 5.140 4.892 0.248 1
1 409 . 5 1 1 A 64 64 THR H H 64 8.930 8.547 0.383 1
1 410 . 5 1 1 A 64 64 THR HA H 64 4.020 3.980 0.040 1
1 415 . 5 1 1 A 65 65 TYR H H 65 8.440 8.210 0.230 1
1 416 . 5 1 1 A 65 65 TYR HA H 65 4.330 4.316 0.014 1
1 423 . 5 1 1 A 66 66 TYR H H 66 8.010 8.498 -0.488 1
1 424 . 5 1 1 A 66 66 TYR HA H 66 4.280 4.502 -0.222 1
1 431 . 5 1 1 A 67 67 SER H H 67 7.770 8.406 -0.636 1
1 432 . 5 1 1 A 67 67 SER HA H 67 4.120 4.523 -0.403 1
1 435 . 5 1 1 A 68 68 ALA H H 68 8.010 7.989 0.021 1
1 436 . 5 1 1 A 68 68 ALA HA H 68 4.230 4.195 0.035 1
1 440 . 5 1 1 A 69 69 VAL H H 69 7.220 7.744 -0.524 1
1 441 . 5 1 1 A 69 69 VAL HA H 69 4.330 3.331 0.999 1
1 449 . 5 1 1 A 70 70 CYS H H 70 7.930 7.602 0.328 1
1 450 . 5 1 1 A 70 70 CYS HA H 70 4.680 4.151 0.529 1
1 453 . 5 1 1 A 71 71 GLY H H 71 7.540 7.605 -0.065 1
1 454 . 5 1 1 A 71 71 GLY HA2 H 71 3.420 4.042 -0.622 1
1 455 . 5 1 1 A 71 71 GLY HA3 H 71 4.030 4.075 -0.045 1
1 456 . 5 1 1 A 72 72 ARG H H 72 8.410 8.227 0.183 1
1 457 . 5 1 1 A 72 72 ARG HA H 72 4.170 3.883 0.287 1
1 465 . 5 1 1 A 73 73 TYR H H 73 7.500 7.474 0.026 1
1 466 . 5 1 1 A 73 73 TYR HA H 73 4.470 4.087 0.383 1
1 473 . 5 1 1 A 74 74 PHE H H 74 8.540 8.661 -0.121 1
1 474 . 5 1 1 A 74 74 PHE HA H 74 4.560 5.098 -0.538 1
1 482 . 5 1 1 A 75 75 CYS H H 75 9.110 9.045 0.065 1
1 483 . 5 1 1 A 75 75 CYS HA H 75 4.840 5.041 -0.201 1
1 486 . 5 1 1 A 76 76 CYS H H 76 8.730 9.005 -0.275 1
1 487 . 5 1 1 A 76 76 CYS HA H 76 5.080 5.641 -0.561 1
1 490 . 5 1 1 A 77 77 ARG H H 77 8.930 7.715 1.215 1
1 491 . 5 1 1 A 77 77 ARG HA H 77 4.770 4.877 -0.107 1
1 499 . 5 1 1 A 78 78 SER H H 78 8.770 8.574 0.196 1
1 500 . 5 1 1 A 78 78 SER HA H 78 4.760 5.325 -0.565 1
1 1 . 6 1 1 A 2 2 PRO HA H 2 4.500 4.687 -0.187 1
1 8 . 6 1 1 A 3 3 LEU H H 3 8.160 8.293 -0.133 1
1 9 . 6 1 1 A 3 3 LEU HA H 3 4.350 4.245 0.105 1
1 19 . 6 1 1 A 4 4 ILE H H 4 8.160 8.297 -0.137 1
1 20 . 6 1 1 A 4 4 ILE HA H 4 4.030 4.087 -0.057 1
1 30 . 6 1 1 A 5 5 PRO HA H 5 4.360 4.514 -0.154 1
1 37 . 6 1 1 A 6 6 ALA H H 6 8.320 8.753 -0.433 1
1 38 . 6 1 1 A 6 6 ALA HA H 6 4.000 4.034 -0.034 1
1 42 . 6 1 1 A 7 7 ILE H H 7 7.720 8.071 -0.351 1
1 43 . 6 1 1 A 7 7 ILE HA H 7 3.880 3.284 0.596 1
1 53 . 6 1 1 A 8 8 TYR H H 8 7.530 8.024 -0.494 1
1 54 . 6 1 1 A 8 8 TYR HA H 8 4.230 4.438 -0.208 1
1 61 . 6 1 1 A 9 9 ILE H H 9 7.350 7.652 -0.302 1
1 62 . 6 1 1 A 9 9 ILE HA H 9 3.620 4.533 -0.913 1
1 72 . 6 1 1 A 10 10 GLY H H 10 8.200 8.739 -0.539 1
1 73 . 6 1 1 A 10 10 GLY HA2 H 10 4.000 3.868 0.132 1
1 74 . 6 1 1 A 10 10 GLY HA3 H 10 4.130 3.875 0.255 1
1 75 . 6 1 1 A 11 11 ALA H H 11 8.130 7.356 0.774 1
1 76 . 6 1 1 A 11 11 ALA HA H 11 4.400 4.830 -0.430 1
1 80 . 6 1 1 A 12 12 THR H H 12 8.130 8.610 -0.480 1
1 81 . 6 1 1 A 12 12 THR HA H 12 4.970 5.343 -0.373 1
1 86 . 6 1 1 A 13 13 VAL H H 13 8.690 8.370 0.320 1
1 87 . 6 1 1 A 13 13 VAL HA H 13 4.690 4.135 0.555 1
1 95 . 6 1 1 A 14 14 GLY H H 14 8.440 8.398 0.042 1
1 96 . 6 1 1 A 14 14 GLY HA2 H 14 4.360 4.064 0.296 1
1 97 . 6 1 1 A 14 14 GLY HA3 H 14 3.580 4.170 -0.590 1
1 98 . 6 1 1 A 15 15 PRO HA H 15 4.120 4.466 -0.346 1
1 105 . 6 1 1 A 16 16 SER H H 16 8.880 8.263 0.617 1
1 106 . 6 1 1 A 16 16 SER HA H 16 4.380 4.296 0.084 1
1 109 . 6 1 1 A 17 17 VAL H H 17 7.260 8.134 -0.874 1
1 110 . 6 1 1 A 17 17 VAL HA H 17 3.940 3.631 0.309 1
1 118 . 6 1 1 A 18 18 TRP H H 18 8.840 7.968 0.872 1
1 119 . 6 1 1 A 18 18 TRP HA H 18 3.810 4.067 -0.257 1
1 125 . 6 1 1 A 19 19 ALA H H 19 7.940 8.120 -0.180 1
1 126 . 6 1 1 A 19 19 ALA HA H 19 3.950 3.795 0.155 1
1 130 . 6 1 1 A 20 20 TYR H H 20 7.500 7.754 -0.254 1
1 131 . 6 1 1 A 20 20 TYR HA H 20 4.260 4.222 0.038 1
1 138 . 6 1 1 A 21 21 LEU H H 21 8.100 7.890 0.210 1
1 139 . 6 1 1 A 21 21 LEU HA H 21 3.380 4.211 -0.831 1
1 149 . 6 1 1 A 22 22 VAL H H 22 8.390 7.601 0.789 1
1 150 . 6 1 1 A 22 22 VAL HA H 22 2.820 3.325 -0.505 1
1 158 . 6 1 1 A 23 23 ALA H H 23 7.530 8.098 -0.568 1
1 159 . 6 1 1 A 23 23 ALA HA H 23 3.980 3.916 0.064 1
1 163 . 6 1 1 A 24 24 LEU H H 24 7.510 7.788 -0.278 1
1 164 . 6 1 1 A 24 24 LEU HA H 24 3.980 4.075 -0.095 1
1 174 . 6 1 1 A 25 25 VAL H H 25 7.780 7.946 -0.166 1
1 175 . 6 1 1 A 25 25 VAL HA H 25 4.550 4.364 0.186 1
1 183 . 6 1 1 A 26 26 GLY H H 26 7.790 7.381 0.409 1
1 184 . 6 1 1 A 26 26 GLY HA2 H 26 3.890 3.992 -0.102 1
1 185 . 6 1 1 A 26 26 GLY HA3 H 26 4.430 4.024 0.406 1
1 186 . 6 1 1 A 27 27 ALA H H 27 8.630 8.913 -0.283 1
1 187 . 6 1 1 A 27 27 ALA HA H 27 3.700 4.035 -0.335 1
1 191 . 6 1 1 A 28 28 ALA H H 28 8.490 7.885 0.605 1
1 192 . 6 1 1 A 28 28 ALA HA H 28 4.070 4.105 -0.035 1
1 196 . 6 1 1 A 29 29 ALA H H 29 8.220 8.120 0.100 1
1 197 . 6 1 1 A 29 29 ALA HA H 29 4.100 4.155 -0.055 1
1 201 . 6 1 1 A 30 30 VAL H H 30 7.230 7.762 -0.532 1
1 202 . 6 1 1 A 30 30 VAL HA H 30 3.280 3.773 -0.493 1
1 210 . 6 1 1 A 31 31 THR H H 31 8.100 7.537 0.563 1
1 211 . 6 1 1 A 31 31 THR HA H 31 4.150 4.342 -0.192 1
1 216 . 6 1 1 A 32 32 ALA H H 32 8.150 7.669 0.481 1
1 217 . 6 1 1 A 32 32 ALA HA H 32 4.220 4.232 -0.012 1
1 221 . 6 1 1 A 33 33 ALA H H 33 7.240 7.532 -0.292 1
1 222 . 6 1 1 A 33 33 ALA HA H 33 4.470 4.386 0.084 1
1 226 . 6 1 1 A 34 34 ASN H H 34 8.240 8.099 0.141 1
1 227 . 6 1 1 A 34 34 ASN HA H 34 4.440 4.408 0.032 1
1 230 . 6 1 1 A 35 35 ILE H H 35 6.980 7.734 -0.754 1
1 231 . 6 1 1 A 35 35 ILE HA H 35 4.660 4.564 0.096 1
1 241 . 6 1 1 A 36 36 ARG H H 36 8.830 8.704 0.126 1
1 242 . 6 1 1 A 36 36 ARG HA H 36 4.640 4.504 0.136 1
1 250 . 6 1 1 A 37 37 ARG H H 37 8.250 8.364 -0.114 1
1 251 . 6 1 1 A 37 37 ARG HA H 37 4.450 4.536 -0.086 1
1 259 . 6 1 1 A 38 38 ALA H H 38 8.960 8.020 0.940 1
1 260 . 6 1 1 A 38 38 ALA HA H 38 4.680 4.743 -0.063 1
1 264 . 6 1 1 A 39 39 SER H H 39 8.580 8.654 -0.074 1
1 265 . 6 1 1 A 39 39 SER HA H 39 4.200 4.249 -0.049 1
1 268 . 6 1 1 A 40 40 SER H H 40 7.890 7.839 0.051 1
1 269 . 6 1 1 A 40 40 SER HA H 40 4.650 4.768 -0.118 1
1 272 . 6 1 1 A 41 41 ASP H H 41 8.350 8.714 -0.364 1
1 273 . 6 1 1 A 41 41 ASP HA H 41 4.470 4.541 -0.071 1
1 276 . 6 1 1 A 42 42 ASN H H 42 8.000 7.899 0.101 1
1 277 . 6 1 1 A 42 42 ASN HA H 42 4.680 4.996 -0.316 1
1 280 . 6 1 1 A 43 43 HIS H H 43 6.580 8.358 -1.778 1
1 281 . 6 1 1 A 43 43 HIS HA H 43 4.210 5.556 -1.346 1
1 286 . 6 1 1 A 44 44 SER H H 44 8.430 8.473 -0.043 1
1 287 . 6 1 1 A 44 44 SER HA H 44 4.010 3.144 0.866 1
1 290 . 6 1 1 A 45 45 CYS H H 45 8.050 7.748 0.302 1
1 291 . 6 1 1 A 45 45 CYS HA H 45 4.880 4.869 0.011 1
1 294 . 6 1 1 A 46 46 ALA H H 46 8.400 8.223 0.177 1
1 295 . 6 1 1 A 46 46 ALA HA H 46 2.370 3.452 -1.082 1
1 299 . 6 1 1 A 47 47 GLY H H 47 8.270 8.381 -0.111 1
1 300 . 6 1 1 A 47 47 GLY HA2 H 47 3.730 3.709 0.021 1
1 301 . 6 1 1 A 47 47 GLY HA3 H 47 3.790 3.728 0.062 1
1 302 . 6 1 1 A 48 48 ASN H H 48 8.220 8.686 -0.466 1
1 303 . 6 1 1 A 48 48 ASN HA H 48 4.570 4.678 -0.108 1
1 306 . 6 1 1 A 49 49 ARG H H 49 7.600 7.443 0.157 1
1 307 . 6 1 1 A 49 49 ARG HA H 49 4.600 4.414 0.186 1
1 315 . 6 1 1 A 50 50 GLY H H 50 8.120 7.426 0.694 1
1 316 . 6 1 1 A 50 50 GLY HA2 H 50 4.860 3.937 0.923 1
1 317 . 6 1 1 A 50 50 GLY HA3 H 50 3.410 4.044 -0.634 1
1 318 . 6 1 1 A 51 51 TRP H H 51 8.920 8.345 0.575 1
1 319 . 6 1 1 A 51 51 TRP HA H 51 4.470 5.396 -0.926 1
1 328 . 6 1 1 A 52 52 CYS H H 52 7.770 8.961 -1.191 1
1 329 . 6 1 1 A 52 52 CYS HA H 52 5.730 5.854 -0.124 1
1 332 . 6 1 1 A 53 53 ARG H H 53 9.340 8.341 0.999 1
1 333 . 6 1 1 A 53 53 ARG HA H 53 4.460 4.565 -0.105 1
1 340 . 6 1 1 A 54 54 SER H H 54 8.320 8.439 -0.119 1
1 341 . 6 1 1 A 54 54 SER HA H 54 3.690 4.475 -0.785 1
1 344 . 6 1 1 A 55 55 LYS H H 55 6.760 7.688 -0.928 1
1 345 . 6 1 1 A 55 55 LYS HA H 55 4.290 4.822 -0.532 1
1 354 . 6 1 1 A 56 56 CYS H H 56 8.780 8.847 -0.067 1
1 355 . 6 1 1 A 56 56 CYS HA H 56 4.690 5.520 -0.830 1
1 358 . 6 1 1 A 57 57 PHE H H 57 8.760 8.981 -0.221 1
1 359 . 6 1 1 A 57 57 PHE HA H 57 4.910 4.827 0.083 1
1 367 . 6 1 1 A 58 58 ARG H H 58 8.590 9.053 -0.463 1
1 368 . 6 1 1 A 58 58 ARG HA H 58 4.080 4.158 -0.078 1
1 376 . 6 1 1 A 59 59 HIS H H 59 8.710 8.135 0.575 1
1 377 . 6 1 1 A 59 59 HIS HA H 59 4.790 4.541 0.249 1
1 382 . 6 1 1 A 60 60 GLU H H 60 7.750 7.765 -0.015 1
1 383 . 6 1 1 A 60 60 GLU HA H 60 5.220 5.092 0.128 1
1 388 . 6 1 1 A 61 61 TYR H H 61 9.180 8.940 0.240 1
1 389 . 6 1 1 A 61 61 TYR HA H 61 5.010 5.403 -0.393 1
1 396 . 6 1 1 A 62 62 VAL H H 62 8.490 8.826 -0.336 1
1 397 . 6 1 1 A 62 62 VAL HA H 62 4.020 4.434 -0.414 1
1 405 . 6 1 1 A 63 63 ASP H H 63 9.070 8.098 0.972 1
1 406 . 6 1 1 A 63 63 ASP HA H 63 5.140 4.859 0.281 1
1 409 . 6 1 1 A 64 64 THR H H 64 8.930 8.639 0.291 1
1 410 . 6 1 1 A 64 64 THR HA H 64 4.020 4.054 -0.034 1
1 415 . 6 1 1 A 65 65 TYR H H 65 8.440 7.731 0.709 1
1 416 . 6 1 1 A 65 65 TYR HA H 65 4.330 4.254 0.076 1
1 423 . 6 1 1 A 66 66 TYR H H 66 8.010 8.384 -0.374 1
1 424 . 6 1 1 A 66 66 TYR HA H 66 4.280 4.475 -0.195 1
1 431 . 6 1 1 A 67 67 SER H H 67 7.770 8.217 -0.447 1
1 432 . 6 1 1 A 67 67 SER HA H 67 4.120 4.326 -0.206 1
1 435 . 6 1 1 A 68 68 ALA H H 68 8.010 7.998 0.012 1
1 436 . 6 1 1 A 68 68 ALA HA H 68 4.230 4.187 0.043 1
1 440 . 6 1 1 A 69 69 VAL H H 69 7.220 8.259 -1.039 1
1 441 . 6 1 1 A 69 69 VAL HA H 69 4.330 3.693 0.637 1
1 449 . 6 1 1 A 70 70 CYS H H 70 7.930 7.629 0.301 1
1 450 . 6 1 1 A 70 70 CYS HA H 70 4.680 4.131 0.549 1
1 453 . 6 1 1 A 71 71 GLY H H 71 7.540 7.546 -0.006 1
1 454 . 6 1 1 A 71 71 GLY HA2 H 71 3.420 3.919 -0.499 1
1 455 . 6 1 1 A 71 71 GLY HA3 H 71 4.030 3.921 0.109 1
1 456 . 6 1 1 A 72 72 ARG H H 72 8.410 8.534 -0.124 1
1 457 . 6 1 1 A 72 72 ARG HA H 72 4.170 3.741 0.429 1
1 465 . 6 1 1 A 73 73 TYR H H 73 7.500 7.457 0.043 1
1 466 . 6 1 1 A 73 73 TYR HA H 73 4.470 4.260 0.210 1
1 473 . 6 1 1 A 74 74 PHE H H 74 8.540 8.784 -0.244 1
1 474 . 6 1 1 A 74 74 PHE HA H 74 4.560 5.036 -0.476 1
1 482 . 6 1 1 A 75 75 CYS H H 75 9.110 8.877 0.233 1
1 483 . 6 1 1 A 75 75 CYS HA H 75 4.840 5.351 -0.511 1
1 486 . 6 1 1 A 76 76 CYS H H 76 8.730 8.481 0.249 1
1 487 . 6 1 1 A 76 76 CYS HA H 76 5.080 5.045 0.035 1
1 490 . 6 1 1 A 77 77 ARG H H 77 8.930 7.788 1.142 1
1 491 . 6 1 1 A 77 77 ARG HA H 77 4.770 4.856 -0.086 1
1 499 . 6 1 1 A 78 78 SER H H 78 8.770 8.945 -0.175 1
1 500 . 6 1 1 A 78 78 SER HA H 78 4.760 5.084 -0.324 1
1 1 . 7 1 1 A 2 2 PRO HA H 2 4.500 4.788 -0.288 1
1 8 . 7 1 1 A 3 3 LEU H H 3 8.160 8.716 -0.556 1
1 9 . 7 1 1 A 3 3 LEU HA H 3 4.350 4.990 -0.640 1
1 19 . 7 1 1 A 4 4 ILE H H 4 8.160 8.451 -0.291 1
1 20 . 7 1 1 A 4 4 ILE HA H 4 4.030 4.148 -0.118 1
1 30 . 7 1 1 A 5 5 PRO HA H 5 4.360 4.464 -0.104 1
1 37 . 7 1 1 A 6 6 ALA H H 6 8.320 8.371 -0.051 1
1 38 . 7 1 1 A 6 6 ALA HA H 6 4.000 3.996 0.004 1
1 42 . 7 1 1 A 7 7 ILE H H 7 7.720 7.543 0.177 1
1 43 . 7 1 1 A 7 7 ILE HA H 7 3.880 3.459 0.421 1
1 53 . 7 1 1 A 8 8 TYR H H 8 7.530 7.437 0.093 1
1 54 . 7 1 1 A 8 8 TYR HA H 8 4.230 4.350 -0.120 1
1 61 . 7 1 1 A 9 9 ILE H H 9 7.350 7.501 -0.151 1
1 62 . 7 1 1 A 9 9 ILE HA H 9 3.620 4.535 -0.915 1
1 72 . 7 1 1 A 10 10 GLY H H 10 8.200 8.818 -0.618 1
1 73 . 7 1 1 A 10 10 GLY HA2 H 10 4.000 3.886 0.114 1
1 74 . 7 1 1 A 10 10 GLY HA3 H 10 4.130 3.896 0.234 1
1 75 . 7 1 1 A 11 11 ALA H H 11 8.130 7.576 0.554 1
1 76 . 7 1 1 A 11 11 ALA HA H 11 4.400 4.930 -0.530 1
1 80 . 7 1 1 A 12 12 THR H H 12 8.130 8.791 -0.661 1
1 81 . 7 1 1 A 12 12 THR HA H 12 4.970 5.201 -0.231 1
1 86 . 7 1 1 A 13 13 VAL H H 13 8.690 8.492 0.198 1
1 87 . 7 1 1 A 13 13 VAL HA H 13 4.690 4.462 0.228 1
1 95 . 7 1 1 A 14 14 GLY H H 14 8.440 8.489 -0.049 1
1 96 . 7 1 1 A 14 14 GLY HA2 H 14 4.360 4.188 0.172 1
1 97 . 7 1 1 A 14 14 GLY HA3 H 14 3.580 4.224 -0.644 1
1 98 . 7 1 1 A 15 15 PRO HA H 15 4.120 4.324 -0.204 1
1 105 . 7 1 1 A 16 16 SER H H 16 8.880 8.160 0.720 1
1 106 . 7 1 1 A 16 16 SER HA H 16 4.380 4.250 0.130 1
1 109 . 7 1 1 A 17 17 VAL H H 17 7.260 8.054 -0.794 1
1 110 . 7 1 1 A 17 17 VAL HA H 17 3.940 3.585 0.355 1
1 118 . 7 1 1 A 18 18 TRP H H 18 8.840 8.089 0.751 1
1 119 . 7 1 1 A 18 18 TRP HA H 18 3.810 4.070 -0.260 1
1 125 . 7 1 1 A 19 19 ALA H H 19 7.940 8.244 -0.304 1
1 126 . 7 1 1 A 19 19 ALA HA H 19 3.950 4.182 -0.232 1
1 130 . 7 1 1 A 20 20 TYR H H 20 7.500 7.707 -0.207 1
1 131 . 7 1 1 A 20 20 TYR HA H 20 4.260 4.191 0.069 1
1 138 . 7 1 1 A 21 21 LEU H H 21 8.100 8.146 -0.046 1
1 139 . 7 1 1 A 21 21 LEU HA H 21 3.380 3.830 -0.450 1
1 149 . 7 1 1 A 22 22 VAL H H 22 8.390 7.722 0.668 1
1 150 . 7 1 1 A 22 22 VAL HA H 22 2.820 3.390 -0.570 1
1 158 . 7 1 1 A 23 23 ALA H H 23 7.530 7.917 -0.387 1
1 159 . 7 1 1 A 23 23 ALA HA H 23 3.980 3.907 0.073 1
1 163 . 7 1 1 A 24 24 LEU H H 24 7.510 7.476 0.034 1
1 164 . 7 1 1 A 24 24 LEU HA H 24 3.980 3.948 0.032 1
1 174 . 7 1 1 A 25 25 VAL H H 25 7.780 7.896 -0.116 1
1 175 . 7 1 1 A 25 25 VAL HA H 25 4.550 4.320 0.230 1
1 183 . 7 1 1 A 26 26 GLY H H 26 7.790 7.338 0.452 1
1 184 . 7 1 1 A 26 26 GLY HA2 H 26 3.890 4.045 -0.155 1
1 185 . 7 1 1 A 26 26 GLY HA3 H 26 4.430 4.050 0.380 1
1 186 . 7 1 1 A 27 27 ALA H H 27 8.630 8.960 -0.330 1
1 187 . 7 1 1 A 27 27 ALA HA H 27 3.700 4.116 -0.416 1
1 191 . 7 1 1 A 28 28 ALA H H 28 8.490 7.892 0.598 1
1 192 . 7 1 1 A 28 28 ALA HA H 28 4.070 4.113 -0.043 1
1 196 . 7 1 1 A 29 29 ALA H H 29 8.220 8.107 0.113 1
1 197 . 7 1 1 A 29 29 ALA HA H 29 4.100 4.100 0.000 1
1 201 . 7 1 1 A 30 30 VAL H H 30 7.230 7.565 -0.335 1
1 202 . 7 1 1 A 30 30 VAL HA H 30 3.280 3.516 -0.236 1
1 210 . 7 1 1 A 31 31 THR H H 31 8.100 7.587 0.513 1
1 211 . 7 1 1 A 31 31 THR HA H 31 4.150 4.254 -0.104 1
1 216 . 7 1 1 A 32 32 ALA H H 32 8.150 7.838 0.312 1
1 217 . 7 1 1 A 32 32 ALA HA H 32 4.220 4.204 0.016 1
1 221 . 7 1 1 A 33 33 ALA H H 33 7.240 7.451 -0.211 1
1 222 . 7 1 1 A 33 33 ALA HA H 33 4.470 4.353 0.117 1
1 226 . 7 1 1 A 34 34 ASN H H 34 8.240 8.155 0.085 1
1 227 . 7 1 1 A 34 34 ASN HA H 34 4.440 4.418 0.022 1
1 230 . 7 1 1 A 35 35 ILE H H 35 6.980 7.766 -0.786 1
1 231 . 7 1 1 A 35 35 ILE HA H 35 4.660 4.606 0.054 1
1 241 . 7 1 1 A 36 36 ARG H H 36 8.830 8.988 -0.158 1
1 242 . 7 1 1 A 36 36 ARG HA H 36 4.640 5.029 -0.389 1
1 250 . 7 1 1 A 37 37 ARG H H 37 8.250 8.622 -0.372 1
1 251 . 7 1 1 A 37 37 ARG HA H 37 4.450 5.064 -0.614 1
1 259 . 7 1 1 A 38 38 ALA H H 38 8.960 8.155 0.805 1
1 260 . 7 1 1 A 38 38 ALA HA H 38 4.680 4.759 -0.079 1
1 264 . 7 1 1 A 39 39 SER H H 39 8.580 8.482 0.098 1
1 265 . 7 1 1 A 39 39 SER HA H 39 4.200 4.164 0.036 1
1 268 . 7 1 1 A 40 40 SER H H 40 7.890 7.750 0.140 1
1 269 . 7 1 1 A 40 40 SER HA H 40 4.650 4.674 -0.024 1
1 272 . 7 1 1 A 41 41 ASP H H 41 8.350 8.452 -0.102 1
1 273 . 7 1 1 A 41 41 ASP HA H 41 4.470 4.575 -0.105 1
1 276 . 7 1 1 A 42 42 ASN H H 42 8.000 7.490 0.510 1
1 277 . 7 1 1 A 42 42 ASN HA H 42 4.680 4.976 -0.296 1
1 280 . 7 1 1 A 43 43 HIS H H 43 6.580 8.316 -1.736 1
1 281 . 7 1 1 A 43 43 HIS HA H 43 4.210 5.641 -1.431 1
1 286 . 7 1 1 A 44 44 SER H H 44 8.430 8.702 -0.272 1
1 287 . 7 1 1 A 44 44 SER HA H 44 4.010 4.375 -0.365 1
1 290 . 7 1 1 A 45 45 CYS H H 45 8.050 8.069 -0.019 1
1 291 . 7 1 1 A 45 45 CYS HA H 45 4.880 4.898 -0.018 1
1 294 . 7 1 1 A 46 46 ALA H H 46 8.400 8.338 0.062 1
1 295 . 7 1 1 A 46 46 ALA HA H 46 2.370 3.577 -1.207 1
1 299 . 7 1 1 A 47 47 GLY H H 47 8.270 8.287 -0.017 1
1 300 . 7 1 1 A 47 47 GLY HA2 H 47 3.730 3.877 -0.147 1
1 301 . 7 1 1 A 47 47 GLY HA3 H 47 3.790 3.878 -0.088 1
1 302 . 7 1 1 A 48 48 ASN H H 48 8.220 8.632 -0.412 1
1 303 . 7 1 1 A 48 48 ASN HA H 48 4.570 4.697 -0.127 1
1 306 . 7 1 1 A 49 49 ARG H H 49 7.600 7.579 0.021 1
1 307 . 7 1 1 A 49 49 ARG HA H 49 4.600 4.424 0.176 1
1 315 . 7 1 1 A 50 50 GLY H H 50 8.120 7.381 0.739 1
1 316 . 7 1 1 A 50 50 GLY HA2 H 50 4.860 3.959 0.901 1
1 317 . 7 1 1 A 50 50 GLY HA3 H 50 3.410 4.034 -0.624 1
1 318 . 7 1 1 A 51 51 TRP H H 51 8.920 8.375 0.545 1
1 319 . 7 1 1 A 51 51 TRP HA H 51 4.470 5.427 -0.957 1
1 328 . 7 1 1 A 52 52 CYS H H 52 7.770 9.052 -1.282 1
1 329 . 7 1 1 A 52 52 CYS HA H 52 5.730 5.561 0.169 1
1 332 . 7 1 1 A 53 53 ARG H H 53 9.340 8.570 0.770 1
1 333 . 7 1 1 A 53 53 ARG HA H 53 4.460 4.758 -0.298 1
1 340 . 7 1 1 A 54 54 SER H H 54 8.320 8.449 -0.129 1
1 341 . 7 1 1 A 54 54 SER HA H 54 3.690 3.570 0.120 1
1 344 . 7 1 1 A 55 55 LYS H H 55 6.760 7.596 -0.836 1
1 345 . 7 1 1 A 55 55 LYS HA H 55 4.290 4.461 -0.171 1
1 354 . 7 1 1 A 56 56 CYS H H 56 8.780 8.202 0.578 1
1 355 . 7 1 1 A 56 56 CYS HA H 56 4.690 4.729 -0.039 1
1 358 . 7 1 1 A 57 57 PHE H H 57 8.760 8.351 0.409 1
1 359 . 7 1 1 A 57 57 PHE HA H 57 4.910 4.797 0.113 1
1 367 . 7 1 1 A 58 58 ARG H H 58 8.590 9.042 -0.452 1
1 368 . 7 1 1 A 58 58 ARG HA H 58 4.080 4.125 -0.045 1
1 376 . 7 1 1 A 59 59 HIS H H 59 8.710 8.351 0.359 1
1 377 . 7 1 1 A 59 59 HIS HA H 59 4.790 4.206 0.584 1
1 382 . 7 1 1 A 60 60 GLU H H 60 7.750 7.887 -0.137 1
1 383 . 7 1 1 A 60 60 GLU HA H 60 5.220 4.672 0.548 1
1 388 . 7 1 1 A 61 61 TYR H H 61 9.180 8.764 0.416 1
1 389 . 7 1 1 A 61 61 TYR HA H 61 5.010 5.383 -0.373 1
1 396 . 7 1 1 A 62 62 VAL H H 62 8.490 8.743 -0.253 1
1 397 . 7 1 1 A 62 62 VAL HA H 62 4.020 4.397 -0.377 1
1 405 . 7 1 1 A 63 63 ASP H H 63 9.070 8.307 0.763 1
1 406 . 7 1 1 A 63 63 ASP HA H 63 5.140 4.830 0.310 1
1 409 . 7 1 1 A 64 64 THR H H 64 8.930 8.554 0.376 1
1 410 . 7 1 1 A 64 64 THR HA H 64 4.020 3.994 0.026 1
1 415 . 7 1 1 A 65 65 TYR H H 65 8.440 8.128 0.312 1
1 416 . 7 1 1 A 65 65 TYR HA H 65 4.330 4.203 0.127 1
1 423 . 7 1 1 A 66 66 TYR H H 66 8.010 8.115 -0.105 1
1 424 . 7 1 1 A 66 66 TYR HA H 66 4.280 4.372 -0.092 1
1 431 . 7 1 1 A 67 67 SER H H 67 7.770 8.213 -0.443 1
1 432 . 7 1 1 A 67 67 SER HA H 67 4.120 4.139 -0.019 1
1 435 . 7 1 1 A 68 68 ALA H H 68 8.010 7.717 0.293 1
1 436 . 7 1 1 A 68 68 ALA HA H 68 4.230 4.094 0.136 1
1 440 . 7 1 1 A 69 69 VAL H H 69 7.220 8.012 -0.792 1
1 441 . 7 1 1 A 69 69 VAL HA H 69 4.330 4.063 0.267 1
1 449 . 7 1 1 A 70 70 CYS H H 70 7.930 7.642 0.288 1
1 450 . 7 1 1 A 70 70 CYS HA H 70 4.680 4.484 0.196 1
1 453 . 7 1 1 A 71 71 GLY H H 71 7.540 7.599 -0.059 1
1 454 . 7 1 1 A 71 71 GLY HA2 H 71 3.420 3.948 -0.528 1
1 455 . 7 1 1 A 71 71 GLY HA3 H 71 4.030 3.981 0.049 1
1 456 . 7 1 1 A 72 72 ARG H H 72 8.410 8.388 0.022 1
1 457 . 7 1 1 A 72 72 ARG HA H 72 4.170 4.039 0.131 1
1 465 . 7 1 1 A 73 73 TYR H H 73 7.500 7.865 -0.365 1
1 466 . 7 1 1 A 73 73 TYR HA H 73 4.470 4.899 -0.429 1
1 473 . 7 1 1 A 74 74 PHE H H 74 8.540 9.046 -0.506 1
1 474 . 7 1 1 A 74 74 PHE HA H 74 4.560 4.980 -0.420 1
1 482 . 7 1 1 A 75 75 CYS H H 75 9.110 9.031 0.079 1
1 483 . 7 1 1 A 75 75 CYS HA H 75 4.840 5.397 -0.557 1
1 486 . 7 1 1 A 76 76 CYS H H 76 8.730 8.543 0.187 1
1 487 . 7 1 1 A 76 76 CYS HA H 76 5.080 4.995 0.085 1
1 490 . 7 1 1 A 77 77 ARG H H 77 8.930 7.839 1.091 1
1 491 . 7 1 1 A 77 77 ARG HA H 77 4.770 4.613 0.157 1
1 499 . 7 1 1 A 78 78 SER H H 78 8.770 8.798 -0.028 1
1 500 . 7 1 1 A 78 78 SER HA H 78 4.760 5.044 -0.284 1
1 1 . 8 1 1 A 2 2 PRO HA H 2 4.500 4.744 -0.244 1
1 8 . 8 1 1 A 3 3 LEU H H 3 8.160 8.405 -0.245 1
1 9 . 8 1 1 A 3 3 LEU HA H 3 4.350 4.715 -0.365 1
1 19 . 8 1 1 A 4 4 ILE H H 4 8.160 8.543 -0.383 1
1 20 . 8 1 1 A 4 4 ILE HA H 4 4.030 4.167 -0.137 1
1 30 . 8 1 1 A 5 5 PRO HA H 5 4.360 4.484 -0.124 1
1 37 . 8 1 1 A 6 6 ALA H H 6 8.320 8.360 -0.040 1
1 38 . 8 1 1 A 6 6 ALA HA H 6 4.000 3.957 0.043 1
1 42 . 8 1 1 A 7 7 ILE H H 7 7.720 7.638 0.082 1
1 43 . 8 1 1 A 7 7 ILE HA H 7 3.880 3.589 0.291 1
1 53 . 8 1 1 A 8 8 TYR H H 8 7.530 7.640 -0.110 1
1 54 . 8 1 1 A 8 8 TYR HA H 8 4.230 4.455 -0.225 1
1 61 . 8 1 1 A 9 9 ILE H H 9 7.350 7.680 -0.330 1
1 62 . 8 1 1 A 9 9 ILE HA H 9 3.620 4.571 -0.951 1
1 72 . 8 1 1 A 10 10 GLY H H 10 8.200 8.866 -0.666 1
1 73 . 8 1 1 A 10 10 GLY HA2 H 10 4.000 3.897 0.103 1
1 74 . 8 1 1 A 10 10 GLY HA3 H 10 4.130 3.911 0.219 1
1 75 . 8 1 1 A 11 11 ALA H H 11 8.130 7.416 0.714 1
1 76 . 8 1 1 A 11 11 ALA HA H 11 4.400 4.936 -0.536 1
1 80 . 8 1 1 A 12 12 THR H H 12 8.130 8.667 -0.537 1
1 81 . 8 1 1 A 12 12 THR HA H 12 4.970 5.463 -0.493 1
1 86 . 8 1 1 A 13 13 VAL H H 13 8.690 8.441 0.249 1
1 87 . 8 1 1 A 13 13 VAL HA H 13 4.690 4.354 0.336 1
1 95 . 8 1 1 A 14 14 GLY H H 14 8.440 8.437 0.003 1
1 96 . 8 1 1 A 14 14 GLY HA2 H 14 4.360 4.039 0.321 1
1 97 . 8 1 1 A 14 14 GLY HA3 H 14 3.580 4.136 -0.556 1
1 98 . 8 1 1 A 15 15 PRO HA H 15 4.120 4.452 -0.332 1
1 105 . 8 1 1 A 16 16 SER H H 16 8.880 8.265 0.615 1
1 106 . 8 1 1 A 16 16 SER HA H 16 4.380 4.269 0.111 1
1 109 . 8 1 1 A 17 17 VAL H H 17 7.260 8.068 -0.808 1
1 110 . 8 1 1 A 17 17 VAL HA H 17 3.940 3.674 0.266 1
1 118 . 8 1 1 A 18 18 TRP H H 18 8.840 8.030 0.810 1
1 119 . 8 1 1 A 18 18 TRP HA H 18 3.810 4.056 -0.246 1
1 125 . 8 1 1 A 19 19 ALA H H 19 7.940 8.078 -0.138 1
1 126 . 8 1 1 A 19 19 ALA HA H 19 3.950 3.788 0.162 1
1 130 . 8 1 1 A 20 20 TYR H H 20 7.500 7.730 -0.230 1
1 131 . 8 1 1 A 20 20 TYR HA H 20 4.260 4.108 0.152 1
1 138 . 8 1 1 A 21 21 LEU H H 21 8.100 7.937 0.163 1
1 139 . 8 1 1 A 21 21 LEU HA H 21 3.380 3.705 -0.325 1
1 149 . 8 1 1 A 22 22 VAL H H 22 8.390 7.787 0.603 1
1 150 . 8 1 1 A 22 22 VAL HA H 22 2.820 3.312 -0.492 1
1 158 . 8 1 1 A 23 23 ALA H H 23 7.530 7.952 -0.422 1
1 159 . 8 1 1 A 23 23 ALA HA H 23 3.980 3.984 -0.004 1
1 163 . 8 1 1 A 24 24 LEU H H 24 7.510 7.558 -0.048 1
1 164 . 8 1 1 A 24 24 LEU HA H 24 3.980 4.030 -0.050 1
1 174 . 8 1 1 A 25 25 VAL H H 25 7.780 7.639 0.141 1
1 175 . 8 1 1 A 25 25 VAL HA H 25 4.550 4.302 0.248 1
1 183 . 8 1 1 A 26 26 GLY H H 26 7.790 7.545 0.245 1
1 184 . 8 1 1 A 26 26 GLY HA2 H 26 3.890 3.956 -0.066 1
1 185 . 8 1 1 A 26 26 GLY HA3 H 26 4.430 3.993 0.437 1
1 186 . 8 1 1 A 27 27 ALA H H 27 8.630 8.562 0.068 1
1 187 . 8 1 1 A 27 27 ALA HA H 27 3.700 3.888 -0.188 1
1 191 . 8 1 1 A 28 28 ALA H H 28 8.490 8.036 0.454 1
1 192 . 8 1 1 A 28 28 ALA HA H 28 4.070 4.105 -0.035 1
1 196 . 8 1 1 A 29 29 ALA H H 29 8.220 8.100 0.120 1
1 197 . 8 1 1 A 29 29 ALA HA H 29 4.100 4.128 -0.028 1
1 201 . 8 1 1 A 30 30 VAL H H 30 7.230 7.980 -0.750 1
1 202 . 8 1 1 A 30 30 VAL HA H 30 3.280 3.717 -0.437 1
1 210 . 8 1 1 A 31 31 THR H H 31 8.100 7.771 0.329 1
1 211 . 8 1 1 A 31 31 THR HA H 31 4.150 4.261 -0.111 1
1 216 . 8 1 1 A 32 32 ALA H H 32 8.150 7.869 0.281 1
1 217 . 8 1 1 A 32 32 ALA HA H 32 4.220 4.212 0.008 1
1 221 . 8 1 1 A 33 33 ALA H H 33 7.240 7.629 -0.389 1
1 222 . 8 1 1 A 33 33 ALA HA H 33 4.470 4.397 0.073 1
1 226 . 8 1 1 A 34 34 ASN H H 34 8.240 8.197 0.043 1
1 227 . 8 1 1 A 34 34 ASN HA H 34 4.440 4.416 0.024 1
1 230 . 8 1 1 A 35 35 ILE H H 35 6.980 7.697 -0.717 1
1 231 . 8 1 1 A 35 35 ILE HA H 35 4.660 4.628 0.032 1
1 241 . 8 1 1 A 36 36 ARG H H 36 8.830 8.837 -0.007 1
1 242 . 8 1 1 A 36 36 ARG HA H 36 4.640 4.580 0.060 1
1 250 . 8 1 1 A 37 37 ARG H H 37 8.250 8.231 0.019 1
1 251 . 8 1 1 A 37 37 ARG HA H 37 4.450 5.069 -0.619 1
1 259 . 8 1 1 A 38 38 ALA H H 38 8.960 8.015 0.945 1
1 260 . 8 1 1 A 38 38 ALA HA H 38 4.680 4.638 0.042 1
1 264 . 8 1 1 A 39 39 SER H H 39 8.580 8.818 -0.238 1
1 265 . 8 1 1 A 39 39 SER HA H 39 4.200 4.250 -0.050 1
1 268 . 8 1 1 A 40 40 SER H H 40 7.890 7.686 0.204 1
1 269 . 8 1 1 A 40 40 SER HA H 40 4.650 4.694 -0.044 1
1 272 . 8 1 1 A 41 41 ASP H H 41 8.350 8.674 -0.324 1
1 273 . 8 1 1 A 41 41 ASP HA H 41 4.470 4.584 -0.114 1
1 276 . 8 1 1 A 42 42 ASN H H 42 8.000 7.385 0.615 1
1 277 . 8 1 1 A 42 42 ASN HA H 42 4.680 4.727 -0.047 1
1 280 . 8 1 1 A 43 43 HIS H H 43 6.580 8.174 -1.594 1
1 281 . 8 1 1 A 43 43 HIS HA H 43 4.210 5.413 -1.203 1
1 286 . 8 1 1 A 44 44 SER H H 44 8.430 8.517 -0.087 1
1 287 . 8 1 1 A 44 44 SER HA H 44 4.010 3.513 0.497 1
1 290 . 8 1 1 A 45 45 CYS H H 45 8.050 7.840 0.210 1
1 291 . 8 1 1 A 45 45 CYS HA H 45 4.880 4.884 -0.004 1
1 294 . 8 1 1 A 46 46 ALA H H 46 8.400 8.053 0.347 1
1 295 . 8 1 1 A 46 46 ALA HA H 46 2.370 3.247 -0.877 1
1 299 . 8 1 1 A 47 47 GLY H H 47 8.270 8.227 0.043 1
1 300 . 8 1 1 A 47 47 GLY HA2 H 47 3.730 3.844 -0.114 1
1 301 . 8 1 1 A 47 47 GLY HA3 H 47 3.790 3.861 -0.071 1
1 302 . 8 1 1 A 48 48 ASN H H 48 8.220 8.799 -0.579 1
1 303 . 8 1 1 A 48 48 ASN HA H 48 4.570 4.741 -0.171 1
1 306 . 8 1 1 A 49 49 ARG H H 49 7.600 7.300 0.300 1
1 307 . 8 1 1 A 49 49 ARG HA H 49 4.600 4.435 0.165 1
1 315 . 8 1 1 A 50 50 GLY H H 50 8.120 7.370 0.750 1
1 316 . 8 1 1 A 50 50 GLY HA2 H 50 4.860 4.017 0.843 1
1 317 . 8 1 1 A 50 50 GLY HA3 H 50 3.410 4.132 -0.722 1
1 318 . 8 1 1 A 51 51 TRP H H 51 8.920 8.437 0.483 1
1 319 . 8 1 1 A 51 51 TRP HA H 51 4.470 5.445 -0.975 1
1 328 . 8 1 1 A 52 52 CYS H H 52 7.770 8.941 -1.171 1
1 329 . 8 1 1 A 52 52 CYS HA H 52 5.730 5.773 -0.043 1
1 332 . 8 1 1 A 53 53 ARG H H 53 9.340 8.345 0.995 1
1 333 . 8 1 1 A 53 53 ARG HA H 53 4.460 4.932 -0.472 1
1 340 . 8 1 1 A 54 54 SER H H 54 8.320 8.851 -0.531 1
1 341 . 8 1 1 A 54 54 SER HA H 54 3.690 4.174 -0.484 1
1 344 . 8 1 1 A 55 55 LYS H H 55 6.760 7.762 -1.002 1
1 345 . 8 1 1 A 55 55 LYS HA H 55 4.290 4.583 -0.293 1
1 354 . 8 1 1 A 56 56 CYS H H 56 8.780 8.688 0.092 1
1 355 . 8 1 1 A 56 56 CYS HA H 56 4.690 5.285 -0.595 1
1 358 . 8 1 1 A 57 57 PHE H H 57 8.760 8.753 0.007 1
1 359 . 8 1 1 A 57 57 PHE HA H 57 4.910 4.750 0.160 1
1 367 . 8 1 1 A 58 58 ARG H H 58 8.590 9.034 -0.444 1
1 368 . 8 1 1 A 58 58 ARG HA H 58 4.080 4.085 -0.005 1
1 376 . 8 1 1 A 59 59 HIS H H 59 8.710 7.705 1.005 1
1 377 . 8 1 1 A 59 59 HIS HA H 59 4.790 4.557 0.233 1
1 382 . 8 1 1 A 60 60 GLU H H 60 7.750 7.446 0.304 1
1 383 . 8 1 1 A 60 60 GLU HA H 60 5.220 4.997 0.223 1
1 388 . 8 1 1 A 61 61 TYR H H 61 9.180 8.783 0.397 1
1 389 . 8 1 1 A 61 61 TYR HA H 61 5.010 5.256 -0.246 1
1 396 . 8 1 1 A 62 62 VAL H H 62 8.490 8.492 -0.002 1
1 397 . 8 1 1 A 62 62 VAL HA H 62 4.020 4.389 -0.369 1
1 405 . 8 1 1 A 63 63 ASP H H 63 9.070 8.156 0.914 1
1 406 . 8 1 1 A 63 63 ASP HA H 63 5.140 4.783 0.357 1
1 409 . 8 1 1 A 64 64 THR H H 64 8.930 8.594 0.336 1
1 410 . 8 1 1 A 64 64 THR HA H 64 4.020 4.005 0.015 1
1 415 . 8 1 1 A 65 65 TYR H H 65 8.440 8.254 0.186 1
1 416 . 8 1 1 A 65 65 TYR HA H 65 4.330 4.229 0.101 1
1 423 . 8 1 1 A 66 66 TYR H H 66 8.010 8.260 -0.250 1
1 424 . 8 1 1 A 66 66 TYR HA H 66 4.280 4.491 -0.211 1
1 431 . 8 1 1 A 67 67 SER H H 67 7.770 8.260 -0.490 1
1 432 . 8 1 1 A 67 67 SER HA H 67 4.120 4.184 -0.064 1
1 435 . 8 1 1 A 68 68 ALA H H 68 8.010 7.760 0.250 1
1 436 . 8 1 1 A 68 68 ALA HA H 68 4.230 4.138 0.092 1
1 440 . 8 1 1 A 69 69 VAL H H 69 7.220 8.057 -0.837 1
1 441 . 8 1 1 A 69 69 VAL HA H 69 4.330 4.144 0.186 1
1 449 . 8 1 1 A 70 70 CYS H H 70 7.930 7.639 0.291 1
1 450 . 8 1 1 A 70 70 CYS HA H 70 4.680 4.206 0.474 1
1 453 . 8 1 1 A 71 71 GLY H H 71 7.540 7.603 -0.063 1
1 454 . 8 1 1 A 71 71 GLY HA2 H 71 3.420 4.100 -0.680 1
1 455 . 8 1 1 A 71 71 GLY HA3 H 71 4.030 4.135 -0.105 1
1 456 . 8 1 1 A 72 72 ARG H H 72 8.410 8.623 -0.213 1
1 457 . 8 1 1 A 72 72 ARG HA H 72 4.170 4.036 0.134 1
1 465 . 8 1 1 A 73 73 TYR H H 73 7.500 8.094 -0.594 1
1 466 . 8 1 1 A 73 73 TYR HA H 73 4.470 4.819 -0.349 1
1 473 . 8 1 1 A 74 74 PHE H H 74 8.540 9.018 -0.478 1
1 474 . 8 1 1 A 74 74 PHE HA H 74 4.560 5.008 -0.448 1
1 482 . 8 1 1 A 75 75 CYS H H 75 9.110 9.000 0.110 1
1 483 . 8 1 1 A 75 75 CYS HA H 75 4.840 5.261 -0.421 1
1 486 . 8 1 1 A 76 76 CYS H H 76 8.730 8.580 0.150 1
1 487 . 8 1 1 A 76 76 CYS HA H 76 5.080 5.163 -0.083 1
1 490 . 8 1 1 A 77 77 ARG H H 77 8.930 8.086 0.844 1
1 491 . 8 1 1 A 77 77 ARG HA H 77 4.770 4.741 0.029 1
1 499 . 8 1 1 A 78 78 SER H H 78 8.770 8.798 -0.028 1
1 500 . 8 1 1 A 78 78 SER HA H 78 4.760 5.426 -0.666 1
1 1 . 9 1 1 A 2 2 PRO HA H 2 4.500 4.896 -0.396 1
1 8 . 9 1 1 A 3 3 LEU H H 3 8.160 8.728 -0.568 1
1 9 . 9 1 1 A 3 3 LEU HA H 3 4.350 4.809 -0.459 1
1 19 . 9 1 1 A 4 4 ILE H H 4 8.160 8.672 -0.512 1
1 20 . 9 1 1 A 4 4 ILE HA H 4 4.030 4.157 -0.127 1
1 30 . 9 1 1 A 5 5 PRO HA H 5 4.360 4.561 -0.201 1
1 37 . 9 1 1 A 6 6 ALA H H 6 8.320 8.029 0.291 1
1 38 . 9 1 1 A 6 6 ALA HA H 6 4.000 4.330 -0.330 1
1 42 . 9 1 1 A 7 7 ILE H H 7 7.720 7.557 0.163 1
1 43 . 9 1 1 A 7 7 ILE HA H 7 3.880 3.802 0.078 1
1 53 . 9 1 1 A 8 8 TYR H H 8 7.530 7.628 -0.098 1
1 54 . 9 1 1 A 8 8 TYR HA H 8 4.230 4.456 -0.226 1
1 61 . 9 1 1 A 9 9 ILE H H 9 7.350 7.668 -0.318 1
1 62 . 9 1 1 A 9 9 ILE HA H 9 3.620 4.518 -0.898 1
1 72 . 9 1 1 A 10 10 GLY H H 10 8.200 8.734 -0.534 1
1 73 . 9 1 1 A 10 10 GLY HA2 H 10 4.000 3.898 0.102 1
1 74 . 9 1 1 A 10 10 GLY HA3 H 10 4.130 3.907 0.223 1
1 75 . 9 1 1 A 11 11 ALA H H 11 8.130 7.692 0.438 1
1 76 . 9 1 1 A 11 11 ALA HA H 11 4.400 4.913 -0.513 1
1 80 . 9 1 1 A 12 12 THR H H 12 8.130 8.747 -0.617 1
1 81 . 9 1 1 A 12 12 THR HA H 12 4.970 5.511 -0.541 1
1 86 . 9 1 1 A 13 13 VAL H H 13 8.690 8.486 0.204 1
1 87 . 9 1 1 A 13 13 VAL HA H 13 4.690 4.469 0.221 1
1 95 . 9 1 1 A 14 14 GLY H H 14 8.440 8.457 -0.017 1
1 96 . 9 1 1 A 14 14 GLY HA2 H 14 4.360 4.070 0.290 1
1 97 . 9 1 1 A 14 14 GLY HA3 H 14 3.580 4.122 -0.542 1
1 98 . 9 1 1 A 15 15 PRO HA H 15 4.120 4.340 -0.220 1
1 105 . 9 1 1 A 16 16 SER H H 16 8.880 8.112 0.768 1
1 106 . 9 1 1 A 16 16 SER HA H 16 4.380 4.282 0.098 1
1 109 . 9 1 1 A 17 17 VAL H H 17 7.260 7.993 -0.733 1
1 110 . 9 1 1 A 17 17 VAL HA H 17 3.940 3.600 0.340 1
1 118 . 9 1 1 A 18 18 TRP H H 18 8.840 8.039 0.801 1
1 119 . 9 1 1 A 18 18 TRP HA H 18 3.810 4.089 -0.279 1
1 125 . 9 1 1 A 19 19 ALA H H 19 7.940 8.348 -0.408 1
1 126 . 9 1 1 A 19 19 ALA HA H 19 3.950 4.213 -0.263 1
1 130 . 9 1 1 A 20 20 TYR H H 20 7.500 7.746 -0.246 1
1 131 . 9 1 1 A 20 20 TYR HA H 20 4.260 4.187 0.073 1
1 138 . 9 1 1 A 21 21 LEU H H 21 8.100 7.964 0.136 1
1 139 . 9 1 1 A 21 21 LEU HA H 21 3.380 3.991 -0.611 1
1 149 . 9 1 1 A 22 22 VAL H H 22 8.390 8.150 0.240 1
1 150 . 9 1 1 A 22 22 VAL HA H 22 2.820 3.486 -0.666 1
1 158 . 9 1 1 A 23 23 ALA H H 23 7.530 7.975 -0.445 1
1 159 . 9 1 1 A 23 23 ALA HA H 23 3.980 3.879 0.101 1
1 163 . 9 1 1 A 24 24 LEU H H 24 7.510 7.499 0.011 1
1 164 . 9 1 1 A 24 24 LEU HA H 24 3.980 3.977 0.003 1
1 174 . 9 1 1 A 25 25 VAL H H 25 7.780 7.693 0.087 1
1 175 . 9 1 1 A 25 25 VAL HA H 25 4.550 4.380 0.170 1
1 183 . 9 1 1 A 26 26 GLY H H 26 7.790 7.369 0.421 1
1 184 . 9 1 1 A 26 26 GLY HA2 H 26 3.890 4.066 -0.176 1
1 185 . 9 1 1 A 26 26 GLY HA3 H 26 4.430 4.067 0.363 1
1 186 . 9 1 1 A 27 27 ALA H H 27 8.630 8.998 -0.368 1
1 187 . 9 1 1 A 27 27 ALA HA H 27 3.700 4.153 -0.453 1
1 191 . 9 1 1 A 28 28 ALA H H 28 8.490 7.964 0.526 1
1 192 . 9 1 1 A 28 28 ALA HA H 28 4.070 4.120 -0.050 1
1 196 . 9 1 1 A 29 29 ALA H H 29 8.220 8.122 0.098 1
1 197 . 9 1 1 A 29 29 ALA HA H 29 4.100 4.089 0.011 1
1 201 . 9 1 1 A 30 30 VAL H H 30 7.230 7.801 -0.571 1
1 202 . 9 1 1 A 30 30 VAL HA H 30 3.280 3.535 -0.255 1
1 210 . 9 1 1 A 31 31 THR H H 31 8.100 7.967 0.133 1
1 211 . 9 1 1 A 31 31 THR HA H 31 4.150 3.997 0.153 1
1 216 . 9 1 1 A 32 32 ALA H H 32 8.150 8.030 0.120 1
1 217 . 9 1 1 A 32 32 ALA HA H 32 4.220 4.136 0.084 1
1 221 . 9 1 1 A 33 33 ALA H H 33 7.240 7.426 -0.186 1
1 222 . 9 1 1 A 33 33 ALA HA H 33 4.470 4.355 0.115 1
1 226 . 9 1 1 A 34 34 ASN H H 34 8.240 7.922 0.318 1
1 227 . 9 1 1 A 34 34 ASN HA H 34 4.440 4.423 0.017 1
1 230 . 9 1 1 A 35 35 ILE H H 35 6.980 7.695 -0.715 1
1 231 . 9 1 1 A 35 35 ILE HA H 35 4.660 4.559 0.101 1
1 241 . 9 1 1 A 36 36 ARG H H 36 8.830 8.925 -0.095 1
1 242 . 9 1 1 A 36 36 ARG HA H 36 4.640 4.956 -0.316 1
1 250 . 9 1 1 A 37 37 ARG H H 37 8.250 8.484 -0.234 1
1 251 . 9 1 1 A 37 37 ARG HA H 37 4.450 5.221 -0.771 1
1 259 . 9 1 1 A 38 38 ALA H H 38 8.960 8.059 0.901 1
1 260 . 9 1 1 A 38 38 ALA HA H 38 4.680 4.894 -0.214 1
1 264 . 9 1 1 A 39 39 SER H H 39 8.580 8.713 -0.133 1
1 265 . 9 1 1 A 39 39 SER HA H 39 4.200 4.220 -0.020 1
1 268 . 9 1 1 A 40 40 SER H H 40 7.890 7.696 0.194 1
1 269 . 9 1 1 A 40 40 SER HA H 40 4.650 4.699 -0.049 1
1 272 . 9 1 1 A 41 41 ASP H H 41 8.350 8.645 -0.295 1
1 273 . 9 1 1 A 41 41 ASP HA H 41 4.470 4.612 -0.142 1
1 276 . 9 1 1 A 42 42 ASN H H 42 8.000 7.468 0.532 1
1 277 . 9 1 1 A 42 42 ASN HA H 42 4.680 4.597 0.083 1
1 280 . 9 1 1 A 43 43 HIS H H 43 6.580 8.225 -1.645 1
1 281 . 9 1 1 A 43 43 HIS HA H 43 4.210 5.579 -1.369 1
1 286 . 9 1 1 A 44 44 SER H H 44 8.430 8.558 -0.128 1
1 287 . 9 1 1 A 44 44 SER HA H 44 4.010 3.390 0.620 1
1 290 . 9 1 1 A 45 45 CYS H H 45 8.050 7.755 0.295 1
1 291 . 9 1 1 A 45 45 CYS HA H 45 4.880 4.836 0.044 1
1 294 . 9 1 1 A 46 46 ALA H H 46 8.400 7.822 0.578 1
1 295 . 9 1 1 A 46 46 ALA HA H 46 2.370 3.218 -0.848 1
1 299 . 9 1 1 A 47 47 GLY H H 47 8.270 8.226 0.044 1
1 300 . 9 1 1 A 47 47 GLY HA2 H 47 3.730 3.836 -0.106 1
1 301 . 9 1 1 A 47 47 GLY HA3 H 47 3.790 3.844 -0.054 1
1 302 . 9 1 1 A 48 48 ASN H H 48 8.220 8.597 -0.377 1
1 303 . 9 1 1 A 48 48 ASN HA H 48 4.570 4.731 -0.161 1
1 306 . 9 1 1 A 49 49 ARG H H 49 7.600 7.308 0.292 1
1 307 . 9 1 1 A 49 49 ARG HA H 49 4.600 4.432 0.168 1
1 315 . 9 1 1 A 50 50 GLY H H 50 8.120 7.414 0.706 1
1 316 . 9 1 1 A 50 50 GLY HA2 H 50 4.860 3.991 0.869 1
1 317 . 9 1 1 A 50 50 GLY HA3 H 50 3.410 4.087 -0.677 1
1 318 . 9 1 1 A 51 51 TRP H H 51 8.920 8.327 0.593 1
1 319 . 9 1 1 A 51 51 TRP HA H 51 4.470 5.380 -0.910 1
1 328 . 9 1 1 A 52 52 CYS H H 52 7.770 8.894 -1.124 1
1 329 . 9 1 1 A 52 52 CYS HA H 52 5.730 5.382 0.348 1
1 332 . 9 1 1 A 53 53 ARG H H 53 9.340 8.623 0.717 1
1 333 . 9 1 1 A 53 53 ARG HA H 53 4.460 4.948 -0.488 1
1 340 . 9 1 1 A 54 54 SER H H 54 8.320 9.007 -0.687 1
1 341 . 9 1 1 A 54 54 SER HA H 54 3.690 3.566 0.124 1
1 344 . 9 1 1 A 55 55 LYS H H 55 6.760 7.800 -1.040 1
1 345 . 9 1 1 A 55 55 LYS HA H 55 4.290 4.863 -0.573 1
1 354 . 9 1 1 A 56 56 CYS H H 56 8.780 8.406 0.374 1
1 355 . 9 1 1 A 56 56 CYS HA H 56 4.690 4.843 -0.153 1
1 358 . 9 1 1 A 57 57 PHE H H 57 8.760 8.655 0.105 1
1 359 . 9 1 1 A 57 57 PHE HA H 57 4.910 4.845 0.065 1
1 367 . 9 1 1 A 58 58 ARG H H 58 8.590 9.109 -0.519 1
1 368 . 9 1 1 A 58 58 ARG HA H 58 4.080 4.155 -0.075 1
1 376 . 9 1 1 A 59 59 HIS H H 59 8.710 8.297 0.413 1
1 377 . 9 1 1 A 59 59 HIS HA H 59 4.790 4.325 0.465 1
1 382 . 9 1 1 A 60 60 GLU H H 60 7.750 8.001 -0.251 1
1 383 . 9 1 1 A 60 60 GLU HA H 60 5.220 4.827 0.393 1
1 388 . 9 1 1 A 61 61 TYR H H 61 9.180 8.850 0.330 1
1 389 . 9 1 1 A 61 61 TYR HA H 61 5.010 5.330 -0.320 1
1 396 . 9 1 1 A 62 62 VAL H H 62 8.490 8.553 -0.063 1
1 397 . 9 1 1 A 62 62 VAL HA H 62 4.020 4.305 -0.285 1
1 405 . 9 1 1 A 63 63 ASP H H 63 9.070 8.110 0.960 1
1 406 . 9 1 1 A 63 63 ASP HA H 63 5.140 4.801 0.339 1
1 409 . 9 1 1 A 64 64 THR H H 64 8.930 8.604 0.326 1
1 410 . 9 1 1 A 64 64 THR HA H 64 4.020 3.957 0.063 1
1 415 . 9 1 1 A 65 65 TYR H H 65 8.440 8.152 0.288 1
1 416 . 9 1 1 A 65 65 TYR HA H 65 4.330 4.182 0.148 1
1 423 . 9 1 1 A 66 66 TYR H H 66 8.010 8.262 -0.252 1
1 424 . 9 1 1 A 66 66 TYR HA H 66 4.280 4.528 -0.248 1
1 431 . 9 1 1 A 67 67 SER H H 67 7.770 7.993 -0.223 1
1 432 . 9 1 1 A 67 67 SER HA H 67 4.120 4.398 -0.278 1
1 435 . 9 1 1 A 68 68 ALA H H 68 8.010 8.055 -0.045 1
1 436 . 9 1 1 A 68 68 ALA HA H 68 4.230 4.204 0.026 1
1 440 . 9 1 1 A 69 69 VAL H H 69 7.220 8.326 -1.106 1
1 441 . 9 1 1 A 69 69 VAL HA H 69 4.330 4.020 0.310 1
1 449 . 9 1 1 A 70 70 CYS H H 70 7.930 7.660 0.270 1
1 450 . 9 1 1 A 70 70 CYS HA H 70 4.680 4.351 0.329 1
1 453 . 9 1 1 A 71 71 GLY H H 71 7.540 7.811 -0.271 1
1 454 . 9 1 1 A 71 71 GLY HA2 H 71 3.420 4.000 -0.580 1
1 455 . 9 1 1 A 71 71 GLY HA3 H 71 4.030 4.023 0.007 1
1 456 . 9 1 1 A 72 72 ARG H H 72 8.410 8.228 0.182 1
1 457 . 9 1 1 A 72 72 ARG HA H 72 4.170 3.983 0.187 1
1 465 . 9 1 1 A 73 73 TYR H H 73 7.500 7.998 -0.498 1
1 466 . 9 1 1 A 73 73 TYR HA H 73 4.470 4.292 0.178 1
1 473 . 9 1 1 A 74 74 PHE H H 74 8.540 8.630 -0.090 1
1 474 . 9 1 1 A 74 74 PHE HA H 74 4.560 5.008 -0.448 1
1 482 . 9 1 1 A 75 75 CYS H H 75 9.110 8.983 0.127 1
1 483 . 9 1 1 A 75 75 CYS HA H 75 4.840 5.093 -0.253 1
1 486 . 9 1 1 A 76 76 CYS H H 76 8.730 8.529 0.201 1
1 487 . 9 1 1 A 76 76 CYS HA H 76 5.080 5.055 0.025 1
1 490 . 9 1 1 A 77 77 ARG H H 77 8.930 8.035 0.895 1
1 491 . 9 1 1 A 77 77 ARG HA H 77 4.770 4.843 -0.073 1
1 499 . 9 1 1 A 78 78 SER H H 78 8.770 8.635 0.135 1
1 500 . 9 1 1 A 78 78 SER HA H 78 4.760 5.390 -0.630 1
1 1 . 10 1 1 A 2 2 PRO HA H 2 4.500 4.569 -0.069 1
1 8 . 10 1 1 A 3 3 LEU H H 3 8.160 8.366 -0.206 1
1 9 . 10 1 1 A 3 3 LEU HA H 3 4.350 4.348 0.002 1
1 19 . 10 1 1 A 4 4 ILE H H 4 8.160 8.298 -0.138 1
1 20 . 10 1 1 A 4 4 ILE HA H 4 4.030 4.252 -0.222 1
1 30 . 10 1 1 A 5 5 PRO HA H 5 4.360 4.441 -0.081 1
1 37 . 10 1 1 A 6 6 ALA H H 6 8.320 8.409 -0.089 1
1 38 . 10 1 1 A 6 6 ALA HA H 6 4.000 3.950 0.050 1
1 42 . 10 1 1 A 7 7 ILE H H 7 7.720 7.705 0.015 1
1 43 . 10 1 1 A 7 7 ILE HA H 7 3.880 3.295 0.585 1
1 53 . 10 1 1 A 8 8 TYR H H 8 7.530 7.617 -0.087 1
1 54 . 10 1 1 A 8 8 TYR HA H 8 4.230 4.268 -0.038 1
1 61 . 10 1 1 A 9 9 ILE H H 9 7.350 7.429 -0.079 1
1 62 . 10 1 1 A 9 9 ILE HA H 9 3.620 4.565 -0.945 1
1 72 . 10 1 1 A 10 10 GLY H H 10 8.200 8.779 -0.579 1
1 73 . 10 1 1 A 10 10 GLY HA2 H 10 4.000 3.912 0.088 1
1 74 . 10 1 1 A 10 10 GLY HA3 H 10 4.130 3.927 0.203 1
1 75 . 10 1 1 A 11 11 ALA H H 11 8.130 7.311 0.819 1
1 76 . 10 1 1 A 11 11 ALA HA H 11 4.400 4.930 -0.530 1
1 80 . 10 1 1 A 12 12 THR H H 12 8.130 8.610 -0.480 1
1 81 . 10 1 1 A 12 12 THR HA H 12 4.970 5.328 -0.358 1
1 86 . 10 1 1 A 13 13 VAL H H 13 8.690 8.446 0.244 1
1 87 . 10 1 1 A 13 13 VAL HA H 13 4.690 4.563 0.127 1
1 95 . 10 1 1 A 14 14 GLY H H 14 8.440 8.574 -0.134 1
1 96 . 10 1 1 A 14 14 GLY HA2 H 14 4.360 4.146 0.214 1
1 97 . 10 1 1 A 14 14 GLY HA3 H 14 3.580 4.239 -0.659 1
1 98 . 10 1 1 A 15 15 PRO HA H 15 4.120 4.342 -0.222 1
1 105 . 10 1 1 A 16 16 SER H H 16 8.880 8.205 0.675 1
1 106 . 10 1 1 A 16 16 SER HA H 16 4.380 4.263 0.117 1
1 109 . 10 1 1 A 17 17 VAL H H 17 7.260 7.764 -0.504 1
1 110 . 10 1 1 A 17 17 VAL HA H 17 3.940 3.650 0.290 1
1 118 . 10 1 1 A 18 18 TRP H H 18 8.840 8.036 0.804 1
1 119 . 10 1 1 A 18 18 TRP HA H 18 3.810 4.069 -0.259 1
1 125 . 10 1 1 A 19 19 ALA H H 19 7.940 8.312 -0.372 1
1 126 . 10 1 1 A 19 19 ALA HA H 19 3.950 4.218 -0.268 1
1 130 . 10 1 1 A 20 20 TYR H H 20 7.500 7.748 -0.248 1
1 131 . 10 1 1 A 20 20 TYR HA H 20 4.260 4.244 0.016 1
1 138 . 10 1 1 A 21 21 LEU H H 21 8.100 8.019 0.081 1
1 139 . 10 1 1 A 21 21 LEU HA H 21 3.380 3.844 -0.464 1
1 149 . 10 1 1 A 22 22 VAL H H 22 8.390 7.573 0.817 1
1 150 . 10 1 1 A 22 22 VAL HA H 22 2.820 3.315 -0.495 1
1 158 . 10 1 1 A 23 23 ALA H H 23 7.530 8.038 -0.508 1
1 159 . 10 1 1 A 23 23 ALA HA H 23 3.980 3.942 0.038 1
1 163 . 10 1 1 A 24 24 LEU H H 24 7.510 7.599 -0.089 1
1 164 . 10 1 1 A 24 24 LEU HA H 24 3.980 3.959 0.021 1
1 174 . 10 1 1 A 25 25 VAL H H 25 7.780 7.746 0.034 1
1 175 . 10 1 1 A 25 25 VAL HA H 25 4.550 4.330 0.220 1
1 183 . 10 1 1 A 26 26 GLY H H 26 7.790 7.295 0.495 1
1 184 . 10 1 1 A 26 26 GLY HA2 H 26 3.890 4.028 -0.138 1
1 185 . 10 1 1 A 26 26 GLY HA3 H 26 4.430 4.034 0.396 1
1 186 . 10 1 1 A 27 27 ALA H H 27 8.630 8.969 -0.339 1
1 187 . 10 1 1 A 27 27 ALA HA H 27 3.700 4.077 -0.377 1
1 191 . 10 1 1 A 28 28 ALA H H 28 8.490 7.908 0.582 1
1 192 . 10 1 1 A 28 28 ALA HA H 28 4.070 4.109 -0.039 1
1 196 . 10 1 1 A 29 29 ALA H H 29 8.220 8.085 0.135 1
1 197 . 10 1 1 A 29 29 ALA HA H 29 4.100 4.083 0.017 1
1 201 . 10 1 1 A 30 30 VAL H H 30 7.230 7.596 -0.366 1
1 202 . 10 1 1 A 30 30 VAL HA H 30 3.280 3.583 -0.303 1
1 210 . 10 1 1 A 31 31 THR H H 31 8.100 7.891 0.209 1
1 211 . 10 1 1 A 31 31 THR HA H 31 4.150 4.194 -0.044 1
1 216 . 10 1 1 A 32 32 ALA H H 32 8.150 8.081 0.069 1
1 217 . 10 1 1 A 32 32 ALA HA H 32 4.220 4.196 0.024 1
1 221 . 10 1 1 A 33 33 ALA H H 33 7.240 7.449 -0.209 1
1 222 . 10 1 1 A 33 33 ALA HA H 33 4.470 4.332 0.138 1
1 226 . 10 1 1 A 34 34 ASN H H 34 8.240 7.791 0.449 1
1 227 . 10 1 1 A 34 34 ASN HA H 34 4.440 4.412 0.028 1
1 230 . 10 1 1 A 35 35 ILE H H 35 6.980 7.603 -0.623 1
1 231 . 10 1 1 A 35 35 ILE HA H 35 4.660 4.553 0.107 1
1 241 . 10 1 1 A 36 36 ARG H H 36 8.830 8.839 -0.009 1
1 242 . 10 1 1 A 36 36 ARG HA H 36 4.640 4.981 -0.341 1
1 250 . 10 1 1 A 37 37 ARG H H 37 8.250 8.443 -0.193 1
1 251 . 10 1 1 A 37 37 ARG HA H 37 4.450 5.098 -0.648 1
1 259 . 10 1 1 A 38 38 ALA H H 38 8.960 8.132 0.828 1
1 260 . 10 1 1 A 38 38 ALA HA H 38 4.680 4.709 -0.029 1
1 264 . 10 1 1 A 39 39 SER H H 39 8.580 8.851 -0.271 1
1 265 . 10 1 1 A 39 39 SER HA H 39 4.200 4.227 -0.027 1
1 268 . 10 1 1 A 40 40 SER H H 40 7.890 7.871 0.019 1
1 269 . 10 1 1 A 40 40 SER HA H 40 4.650 4.756 -0.106 1
1 272 . 10 1 1 A 41 41 ASP H H 41 8.350 8.794 -0.444 1
1 273 . 10 1 1 A 41 41 ASP HA H 41 4.470 4.603 -0.133 1
1 276 . 10 1 1 A 42 42 ASN H H 42 8.000 7.711 0.289 1
1 277 . 10 1 1 A 42 42 ASN HA H 42 4.680 4.535 0.145 1
1 280 . 10 1 1 A 43 43 HIS H H 43 6.580 8.148 -1.568 1
1 281 . 10 1 1 A 43 43 HIS HA H 43 4.210 5.598 -1.388 1
1 286 . 10 1 1 A 44 44 SER H H 44 8.430 8.442 -0.012 1
1 287 . 10 1 1 A 44 44 SER HA H 44 4.010 2.968 1.042 1
1 290 . 10 1 1 A 45 45 CYS H H 45 8.050 7.792 0.258 1
1 291 . 10 1 1 A 45 45 CYS HA H 45 4.880 4.859 0.021 1
1 294 . 10 1 1 A 46 46 ALA H H 46 8.400 8.024 0.376 1
1 295 . 10 1 1 A 46 46 ALA HA H 46 2.370 3.409 -1.039 1
1 299 . 10 1 1 A 47 47 GLY H H 47 8.270 8.313 -0.043 1
1 300 . 10 1 1 A 47 47 GLY HA2 H 47 3.730 3.877 -0.147 1
1 301 . 10 1 1 A 47 47 GLY HA3 H 47 3.790 3.889 -0.099 1
1 302 . 10 1 1 A 48 48 ASN H H 48 8.220 8.679 -0.459 1
1 303 . 10 1 1 A 48 48 ASN HA H 48 4.570 4.712 -0.142 1
1 306 . 10 1 1 A 49 49 ARG H H 49 7.600 7.587 0.013 1
1 307 . 10 1 1 A 49 49 ARG HA H 49 4.600 4.544 0.056 1
1 315 . 10 1 1 A 50 50 GLY H H 50 8.120 7.441 0.679 1
1 316 . 10 1 1 A 50 50 GLY HA2 H 50 4.860 3.973 0.887 1
1 317 . 10 1 1 A 50 50 GLY HA3 H 50 3.410 4.090 -0.680 1
1 318 . 10 1 1 A 51 51 TRP H H 51 8.920 8.271 0.649 1
1 319 . 10 1 1 A 51 51 TRP HA H 51 4.470 5.318 -0.848 1
1 328 . 10 1 1 A 52 52 CYS H H 52 7.770 8.727 -0.957 1
1 329 . 10 1 1 A 52 52 CYS HA H 52 5.730 5.589 0.141 1
1 332 . 10 1 1 A 53 53 ARG H H 53 9.340 8.815 0.525 1
1 333 . 10 1 1 A 53 53 ARG HA H 53 4.460 4.617 -0.157 1
1 340 . 10 1 1 A 54 54 SER H H 54 8.320 8.962 -0.642 1
1 341 . 10 1 1 A 54 54 SER HA H 54 3.690 4.705 -1.015 1
1 344 . 10 1 1 A 55 55 LYS H H 55 6.760 7.873 -1.113 1
1 345 . 10 1 1 A 55 55 LYS HA H 55 4.290 4.674 -0.384 1
1 354 . 10 1 1 A 56 56 CYS H H 56 8.780 8.359 0.421 1
1 355 . 10 1 1 A 56 56 CYS HA H 56 4.690 4.622 0.068 1
1 358 . 10 1 1 A 57 57 PHE H H 57 8.760 8.118 0.642 1
1 359 . 10 1 1 A 57 57 PHE HA H 57 4.910 4.823 0.087 1
1 367 . 10 1 1 A 58 58 ARG H H 58 8.590 9.094 -0.504 1
1 368 . 10 1 1 A 58 58 ARG HA H 58 4.080 4.099 -0.019 1
1 376 . 10 1 1 A 59 59 HIS H H 59 8.710 8.237 0.473 1
1 377 . 10 1 1 A 59 59 HIS HA H 59 4.790 4.334 0.456 1
1 382 . 10 1 1 A 60 60 GLU H H 60 7.750 7.991 -0.241 1
1 383 . 10 1 1 A 60 60 GLU HA H 60 5.220 4.979 0.241 1
1 388 . 10 1 1 A 61 61 TYR H H 61 9.180 8.834 0.346 1
1 389 . 10 1 1 A 61 61 TYR HA H 61 5.010 5.382 -0.372 1
1 396 . 10 1 1 A 62 62 VAL H H 62 8.490 8.844 -0.354 1
1 397 . 10 1 1 A 62 62 VAL HA H 62 4.020 4.390 -0.370 1
1 405 . 10 1 1 A 63 63 ASP H H 63 9.070 8.160 0.910 1
1 406 . 10 1 1 A 63 63 ASP HA H 63 5.140 4.912 0.228 1
1 409 . 10 1 1 A 64 64 THR H H 64 8.930 8.652 0.278 1
1 410 . 10 1 1 A 64 64 THR HA H 64 4.020 4.051 -0.031 1
1 415 . 10 1 1 A 65 65 TYR H H 65 8.440 7.684 0.756 1
1 416 . 10 1 1 A 65 65 TYR HA H 65 4.330 4.242 0.088 1
1 423 . 10 1 1 A 66 66 TYR H H 66 8.010 7.937 0.073 1
1 424 . 10 1 1 A 66 66 TYR HA H 66 4.280 4.418 -0.138 1
1 431 . 10 1 1 A 67 67 SER H H 67 7.770 8.544 -0.774 1
1 432 . 10 1 1 A 67 67 SER HA H 67 4.120 4.487 -0.367 1
1 435 . 10 1 1 A 68 68 ALA H H 68 8.010 8.016 -0.006 1
1 436 . 10 1 1 A 68 68 ALA HA H 68 4.230 4.254 -0.024 1
1 440 . 10 1 1 A 69 69 VAL H H 69 7.220 8.294 -1.074 1
1 441 . 10 1 1 A 69 69 VAL HA H 69 4.330 3.645 0.685 1
1 449 . 10 1 1 A 70 70 CYS H H 70 7.930 7.613 0.317 1
1 450 . 10 1 1 A 70 70 CYS HA H 70 4.680 4.101 0.579 1
1 453 . 10 1 1 A 71 71 GLY H H 71 7.540 7.685 -0.145 1
1 454 . 10 1 1 A 71 71 GLY HA2 H 71 3.420 3.971 -0.551 1
1 455 . 10 1 1 A 71 71 GLY HA3 H 71 4.030 3.987 0.043 1
1 456 . 10 1 1 A 72 72 ARG H H 72 8.410 8.568 -0.158 1
1 457 . 10 1 1 A 72 72 ARG HA H 72 4.170 4.065 0.105 1
1 465 . 10 1 1 A 73 73 TYR H H 73 7.500 7.490 0.010 1
1 466 . 10 1 1 A 73 73 TYR HA H 73 4.470 4.670 -0.200 1
1 473 . 10 1 1 A 74 74 PHE H H 74 8.540 8.730 -0.190 1
1 474 . 10 1 1 A 74 74 PHE HA H 74 4.560 5.028 -0.468 1
1 482 . 10 1 1 A 75 75 CYS H H 75 9.110 8.978 0.132 1
1 483 . 10 1 1 A 75 75 CYS HA H 75 4.840 5.181 -0.341 1
1 486 . 10 1 1 A 76 76 CYS H H 76 8.730 8.415 0.315 1
1 487 . 10 1 1 A 76 76 CYS HA H 76 5.080 4.922 0.158 1
1 490 . 10 1 1 A 77 77 ARG H H 77 8.930 7.810 1.120 1
1 491 . 10 1 1 A 77 77 ARG HA H 77 4.770 4.829 -0.059 1
1 499 . 10 1 1 A 78 78 SER H H 78 8.770 8.822 -0.052 1
1 500 . 10 1 1 A 78 78 SER HA H 78 4.760 5.184 -0.424 1
1 1 . 11 1 1 A 2 2 PRO HA H 2 4.500 4.331 0.169 1
1 8 . 11 1 1 A 3 3 LEU H H 3 8.160 8.644 -0.484 1
1 9 . 11 1 1 A 3 3 LEU HA H 3 4.350 4.152 0.198 1
1 19 . 11 1 1 A 4 4 ILE H H 4 8.160 8.496 -0.336 1
1 20 . 11 1 1 A 4 4 ILE HA H 4 4.030 4.000 0.030 1
1 30 . 11 1 1 A 5 5 PRO HA H 5 4.360 4.598 -0.238 1
1 37 . 11 1 1 A 6 6 ALA H H 6 8.320 8.148 0.172 1
1 38 . 11 1 1 A 6 6 ALA HA H 6 4.000 4.318 -0.318 1
1 42 . 11 1 1 A 7 7 ILE H H 7 7.720 7.894 -0.174 1
1 43 . 11 1 1 A 7 7 ILE HA H 7 3.880 3.516 0.364 1
1 53 . 11 1 1 A 8 8 TYR H H 8 7.530 7.932 -0.402 1
1 54 . 11 1 1 A 8 8 TYR HA H 8 4.230 4.300 -0.070 1
1 61 . 11 1 1 A 9 9 ILE H H 9 7.350 7.553 -0.203 1
1 62 . 11 1 1 A 9 9 ILE HA H 9 3.620 4.536 -0.916 1
1 72 . 11 1 1 A 10 10 GLY H H 10 8.200 9.016 -0.816 1
1 73 . 11 1 1 A 10 10 GLY HA2 H 10 4.000 3.892 0.108 1
1 74 . 11 1 1 A 10 10 GLY HA3 H 10 4.130 3.899 0.231 1
1 75 . 11 1 1 A 11 11 ALA H H 11 8.130 7.426 0.704 1
1 76 . 11 1 1 A 11 11 ALA HA H 11 4.400 4.879 -0.479 1
1 80 . 11 1 1 A 12 12 THR H H 12 8.130 8.649 -0.519 1
1 81 . 11 1 1 A 12 12 THR HA H 12 4.970 5.392 -0.422 1
1 86 . 11 1 1 A 13 13 VAL H H 13 8.690 8.409 0.281 1
1 87 . 11 1 1 A 13 13 VAL HA H 13 4.690 4.415 0.275 1
1 95 . 11 1 1 A 14 14 GLY H H 14 8.440 8.416 0.024 1
1 96 . 11 1 1 A 14 14 GLY HA2 H 14 4.360 4.076 0.284 1
1 97 . 11 1 1 A 14 14 GLY HA3 H 14 3.580 4.150 -0.570 1
1 98 . 11 1 1 A 15 15 PRO HA H 15 4.120 4.374 -0.254 1
1 105 . 11 1 1 A 16 16 SER H H 16 8.880 8.147 0.733 1
1 106 . 11 1 1 A 16 16 SER HA H 16 4.380 4.273 0.107 1
1 109 . 11 1 1 A 17 17 VAL H H 17 7.260 8.173 -0.913 1
1 110 . 11 1 1 A 17 17 VAL HA H 17 3.940 3.702 0.238 1
1 118 . 11 1 1 A 18 18 TRP H H 18 8.840 8.054 0.786 1
1 119 . 11 1 1 A 18 18 TRP HA H 18 3.810 4.258 -0.448 1
1 125 . 11 1 1 A 19 19 ALA H H 19 7.940 8.272 -0.332 1
1 126 . 11 1 1 A 19 19 ALA HA H 19 3.950 4.216 -0.266 1
1 130 . 11 1 1 A 20 20 TYR H H 20 7.500 7.957 -0.457 1
1 131 . 11 1 1 A 20 20 TYR HA H 20 4.260 4.121 0.139 1
1 138 . 11 1 1 A 21 21 LEU H H 21 8.100 8.172 -0.072 1
1 139 . 11 1 1 A 21 21 LEU HA H 21 3.380 3.618 -0.238 1
1 149 . 11 1 1 A 22 22 VAL H H 22 8.390 7.572 0.818 1
1 150 . 11 1 1 A 22 22 VAL HA H 22 2.820 3.321 -0.501 1
1 158 . 11 1 1 A 23 23 ALA H H 23 7.530 7.961 -0.431 1
1 159 . 11 1 1 A 23 23 ALA HA H 23 3.980 3.911 0.069 1
1 163 . 11 1 1 A 24 24 LEU H H 24 7.510 7.569 -0.059 1
1 164 . 11 1 1 A 24 24 LEU HA H 24 3.980 3.882 0.098 1
1 174 . 11 1 1 A 25 25 VAL H H 25 7.780 7.643 0.137 1
1 175 . 11 1 1 A 25 25 VAL HA H 25 4.550 4.256 0.294 1
1 183 . 11 1 1 A 26 26 GLY H H 26 7.790 7.286 0.504 1
1 184 . 11 1 1 A 26 26 GLY HA2 H 26 3.890 3.988 -0.098 1
1 185 . 11 1 1 A 26 26 GLY HA3 H 26 4.430 4.002 0.428 1
1 186 . 11 1 1 A 27 27 ALA H H 27 8.630 8.953 -0.323 1
1 187 . 11 1 1 A 27 27 ALA HA H 27 3.700 4.061 -0.361 1
1 191 . 11 1 1 A 28 28 ALA H H 28 8.490 7.883 0.607 1
1 192 . 11 1 1 A 28 28 ALA HA H 28 4.070 4.108 -0.038 1
1 196 . 11 1 1 A 29 29 ALA H H 29 8.220 8.126 0.094 1
1 197 . 11 1 1 A 29 29 ALA HA H 29 4.100 4.103 -0.003 1
1 201 . 11 1 1 A 30 30 VAL H H 30 7.230 7.466 -0.236 1
1 202 . 11 1 1 A 30 30 VAL HA H 30 3.280 3.543 -0.263 1
1 210 . 11 1 1 A 31 31 THR H H 31 8.100 7.898 0.202 1
1 211 . 11 1 1 A 31 31 THR HA H 31 4.150 4.173 -0.023 1
1 216 . 11 1 1 A 32 32 ALA H H 32 8.150 8.030 0.120 1
1 217 . 11 1 1 A 32 32 ALA HA H 32 4.220 4.201 0.019 1
1 221 . 11 1 1 A 33 33 ALA H H 33 7.240 7.482 -0.242 1
1 222 . 11 1 1 A 33 33 ALA HA H 33 4.470 4.361 0.109 1
1 226 . 11 1 1 A 34 34 ASN H H 34 8.240 8.195 0.045 1
1 227 . 11 1 1 A 34 34 ASN HA H 34 4.440 4.439 0.001 1
1 230 . 11 1 1 A 35 35 ILE H H 35 6.980 7.678 -0.698 1
1 231 . 11 1 1 A 35 35 ILE HA H 35 4.660 4.718 -0.058 1
1 241 . 11 1 1 A 36 36 ARG H H 36 8.830 8.979 -0.149 1
1 242 . 11 1 1 A 36 36 ARG HA H 36 4.640 5.022 -0.382 1
1 250 . 11 1 1 A 37 37 ARG H H 37 8.250 8.492 -0.242 1
1 251 . 11 1 1 A 37 37 ARG HA H 37 4.450 5.420 -0.970 1
1 259 . 11 1 1 A 38 38 ALA H H 38 8.960 8.117 0.843 1
1 260 . 11 1 1 A 38 38 ALA HA H 38 4.680 4.710 -0.030 1
1 264 . 11 1 1 A 39 39 SER H H 39 8.580 8.677 -0.097 1
1 265 . 11 1 1 A 39 39 SER HA H 39 4.200 4.145 0.055 1
1 268 . 11 1 1 A 40 40 SER H H 40 7.890 7.843 0.047 1
1 269 . 11 1 1 A 40 40 SER HA H 40 4.650 4.736 -0.086 1
1 272 . 11 1 1 A 41 41 ASP H H 41 8.350 8.659 -0.309 1
1 273 . 11 1 1 A 41 41 ASP HA H 41 4.470 4.604 -0.134 1
1 276 . 11 1 1 A 42 42 ASN H H 42 8.000 7.737 0.263 1
1 277 . 11 1 1 A 42 42 ASN HA H 42 4.680 5.143 -0.463 1
1 280 . 11 1 1 A 43 43 HIS H H 43 6.580 8.321 -1.741 1
1 281 . 11 1 1 A 43 43 HIS HA H 43 4.210 5.561 -1.351 1
1 286 . 11 1 1 A 44 44 SER H H 44 8.430 8.470 -0.040 1
1 287 . 11 1 1 A 44 44 SER HA H 44 4.010 3.419 0.591 1
1 290 . 11 1 1 A 45 45 CYS H H 45 8.050 7.981 0.069 1
1 291 . 11 1 1 A 45 45 CYS HA H 45 4.880 4.836 0.044 1
1 294 . 11 1 1 A 46 46 ALA H H 46 8.400 8.007 0.393 1
1 295 . 11 1 1 A 46 46 ALA HA H 46 2.370 3.294 -0.924 1
1 299 . 11 1 1 A 47 47 GLY H H 47 8.270 8.193 0.077 1
1 300 . 11 1 1 A 47 47 GLY HA2 H 47 3.730 3.884 -0.154 1
1 301 . 11 1 1 A 47 47 GLY HA3 H 47 3.790 3.896 -0.106 1
1 302 . 11 1 1 A 48 48 ASN H H 48 8.220 8.702 -0.482 1
1 303 . 11 1 1 A 48 48 ASN HA H 48 4.570 4.686 -0.116 1
1 306 . 11 1 1 A 49 49 ARG H H 49 7.600 7.334 0.266 1
1 307 . 11 1 1 A 49 49 ARG HA H 49 4.600 4.379 0.221 1
1 315 . 11 1 1 A 50 50 GLY H H 50 8.120 7.463 0.657 1
1 316 . 11 1 1 A 50 50 GLY HA2 H 50 4.860 3.936 0.924 1
1 317 . 11 1 1 A 50 50 GLY HA3 H 50 3.410 4.058 -0.648 1
1 318 . 11 1 1 A 51 51 TRP H H 51 8.920 8.318 0.602 1
1 319 . 11 1 1 A 51 51 TRP HA H 51 4.470 5.292 -0.822 1
1 328 . 11 1 1 A 52 52 CYS H H 52 7.770 8.961 -1.191 1
1 329 . 11 1 1 A 52 52 CYS HA H 52 5.730 5.433 0.297 1
1 332 . 11 1 1 A 53 53 ARG H H 53 9.340 8.545 0.795 1
1 333 . 11 1 1 A 53 53 ARG HA H 53 4.460 4.583 -0.123 1
1 340 . 11 1 1 A 54 54 SER H H 54 8.320 8.371 -0.051 1
1 341 . 11 1 1 A 54 54 SER HA H 54 3.690 4.478 -0.788 1
1 344 . 11 1 1 A 55 55 LYS H H 55 6.760 7.644 -0.884 1
1 345 . 11 1 1 A 55 55 LYS HA H 55 4.290 4.614 -0.324 1
1 354 . 11 1 1 A 56 56 CYS H H 56 8.780 8.733 0.047 1
1 355 . 11 1 1 A 56 56 CYS HA H 56 4.690 5.275 -0.585 1
1 358 . 11 1 1 A 57 57 PHE H H 57 8.760 8.747 0.013 1
1 359 . 11 1 1 A 57 57 PHE HA H 57 4.910 4.850 0.060 1
1 367 . 11 1 1 A 58 58 ARG H H 58 8.590 9.132 -0.542 1
1 368 . 11 1 1 A 58 58 ARG HA H 58 4.080 4.141 -0.061 1
1 376 . 11 1 1 A 59 59 HIS H H 59 8.710 8.227 0.483 1
1 377 . 11 1 1 A 59 59 HIS HA H 59 4.790 4.317 0.473 1
1 382 . 11 1 1 A 60 60 GLU H H 60 7.750 7.697 0.053 1
1 383 . 11 1 1 A 60 60 GLU HA H 60 5.220 4.975 0.245 1
1 388 . 11 1 1 A 61 61 TYR H H 61 9.180 8.888 0.292 1
1 389 . 11 1 1 A 61 61 TYR HA H 61 5.010 5.370 -0.360 1
1 396 . 11 1 1 A 62 62 VAL H H 62 8.490 8.819 -0.329 1
1 397 . 11 1 1 A 62 62 VAL HA H 62 4.020 4.422 -0.402 1
1 405 . 11 1 1 A 63 63 ASP H H 63 9.070 8.124 0.946 1
1 406 . 11 1 1 A 63 63 ASP HA H 63 5.140 4.857 0.283 1
1 409 . 11 1 1 A 64 64 THR H H 64 8.930 8.679 0.251 1
1 410 . 11 1 1 A 64 64 THR HA H 64 4.020 4.233 -0.213 1
1 415 . 11 1 1 A 65 65 TYR H H 65 8.440 8.137 0.303 1
1 416 . 11 1 1 A 65 65 TYR HA H 65 4.330 4.223 0.107 1
1 423 . 11 1 1 A 66 66 TYR H H 66 8.010 8.002 0.008 1
1 424 . 11 1 1 A 66 66 TYR HA H 66 4.280 4.376 -0.096 1
1 431 . 11 1 1 A 67 67 SER H H 67 7.770 8.084 -0.314 1
1 432 . 11 1 1 A 67 67 SER HA H 67 4.120 4.250 -0.130 1
1 435 . 11 1 1 A 68 68 ALA H H 68 8.010 7.796 0.214 1
1 436 . 11 1 1 A 68 68 ALA HA H 68 4.230 4.085 0.145 1
1 440 . 11 1 1 A 69 69 VAL H H 69 7.220 7.643 -0.423 1
1 441 . 11 1 1 A 69 69 VAL HA H 69 4.330 3.395 0.935 1
1 449 . 11 1 1 A 70 70 CYS H H 70 7.930 7.540 0.390 1
1 450 . 11 1 1 A 70 70 CYS HA H 70 4.680 4.061 0.619 1
1 453 . 11 1 1 A 71 71 GLY H H 71 7.540 7.487 0.053 1
1 454 . 11 1 1 A 71 71 GLY HA2 H 71 3.420 3.962 -0.542 1
1 455 . 11 1 1 A 71 71 GLY HA3 H 71 4.030 3.965 0.065 1
1 456 . 11 1 1 A 72 72 ARG H H 72 8.410 8.520 -0.110 1
1 457 . 11 1 1 A 72 72 ARG HA H 72 4.170 3.855 0.315 1
1 465 . 11 1 1 A 73 73 TYR H H 73 7.500 7.445 0.055 1
1 466 . 11 1 1 A 73 73 TYR HA H 73 4.470 4.351 0.119 1
1 473 . 11 1 1 A 74 74 PHE H H 74 8.540 8.853 -0.313 1
1 474 . 11 1 1 A 74 74 PHE HA H 74 4.560 4.977 -0.417 1
1 482 . 11 1 1 A 75 75 CYS H H 75 9.110 8.936 0.174 1
1 483 . 11 1 1 A 75 75 CYS HA H 75 4.840 5.153 -0.313 1
1 486 . 11 1 1 A 76 76 CYS H H 76 8.730 8.455 0.275 1
1 487 . 11 1 1 A 76 76 CYS HA H 76 5.080 5.009 0.071 1
1 490 . 11 1 1 A 77 77 ARG H H 77 8.930 7.767 1.163 1
1 491 . 11 1 1 A 77 77 ARG HA H 77 4.770 4.830 -0.060 1
1 499 . 11 1 1 A 78 78 SER H H 78 8.770 8.827 -0.057 1
1 500 . 11 1 1 A 78 78 SER HA H 78 4.760 5.054 -0.294 1
1 1 . 12 1 1 A 2 2 PRO HA H 2 4.500 4.727 -0.227 1
1 8 . 12 1 1 A 3 3 LEU H H 3 8.160 8.691 -0.531 1
1 9 . 12 1 1 A 3 3 LEU HA H 3 4.350 4.773 -0.423 1
1 19 . 12 1 1 A 4 4 ILE H H 4 8.160 8.646 -0.486 1
1 20 . 12 1 1 A 4 4 ILE HA H 4 4.030 4.440 -0.410 1
1 30 . 12 1 1 A 5 5 PRO HA H 5 4.360 4.552 -0.192 1
1 37 . 12 1 1 A 6 6 ALA H H 6 8.320 8.473 -0.153 1
1 38 . 12 1 1 A 6 6 ALA HA H 6 4.000 4.022 -0.022 1
1 42 . 12 1 1 A 7 7 ILE H H 7 7.720 7.780 -0.060 1
1 43 . 12 1 1 A 7 7 ILE HA H 7 3.880 3.561 0.319 1
1 53 . 12 1 1 A 8 8 TYR H H 8 7.530 8.020 -0.490 1
1 54 . 12 1 1 A 8 8 TYR HA H 8 4.230 4.458 -0.228 1
1 61 . 12 1 1 A 9 9 ILE H H 9 7.350 7.708 -0.358 1
1 62 . 12 1 1 A 9 9 ILE HA H 9 3.620 4.536 -0.916 1
1 72 . 12 1 1 A 10 10 GLY H H 10 8.200 8.779 -0.579 1
1 73 . 12 1 1 A 10 10 GLY HA2 H 10 4.000 3.925 0.075 1
1 74 . 12 1 1 A 10 10 GLY HA3 H 10 4.130 3.943 0.187 1
1 75 . 12 1 1 A 11 11 ALA H H 11 8.130 7.508 0.622 1
1 76 . 12 1 1 A 11 11 ALA HA H 11 4.400 4.868 -0.468 1
1 80 . 12 1 1 A 12 12 THR H H 12 8.130 8.686 -0.556 1
1 81 . 12 1 1 A 12 12 THR HA H 12 4.970 5.358 -0.388 1
1 86 . 12 1 1 A 13 13 VAL H H 13 8.690 8.349 0.341 1
1 87 . 12 1 1 A 13 13 VAL HA H 13 4.690 4.360 0.330 1
1 95 . 12 1 1 A 14 14 GLY H H 14 8.440 8.353 0.087 1
1 96 . 12 1 1 A 14 14 GLY HA2 H 14 4.360 3.992 0.368 1
1 97 . 12 1 1 A 14 14 GLY HA3 H 14 3.580 4.093 -0.513 1
1 98 . 12 1 1 A 15 15 PRO HA H 15 4.120 4.421 -0.301 1
1 105 . 12 1 1 A 16 16 SER H H 16 8.880 8.215 0.665 1
1 106 . 12 1 1 A 16 16 SER HA H 16 4.380 4.290 0.090 1
1 109 . 12 1 1 A 17 17 VAL H H 17 7.260 7.976 -0.716 1
1 110 . 12 1 1 A 17 17 VAL HA H 17 3.940 3.614 0.326 1
1 118 . 12 1 1 A 18 18 TRP H H 18 8.840 7.927 0.913 1
1 119 . 12 1 1 A 18 18 TRP HA H 18 3.810 4.066 -0.256 1
1 125 . 12 1 1 A 19 19 ALA H H 19 7.940 8.228 -0.288 1
1 126 . 12 1 1 A 19 19 ALA HA H 19 3.950 3.832 0.118 1
1 130 . 12 1 1 A 20 20 TYR H H 20 7.500 7.790 -0.290 1
1 131 . 12 1 1 A 20 20 TYR HA H 20 4.260 4.159 0.101 1
1 138 . 12 1 1 A 21 21 LEU H H 21 8.100 8.252 -0.152 1
1 139 . 12 1 1 A 21 21 LEU HA H 21 3.380 4.168 -0.788 1
1 149 . 12 1 1 A 22 22 VAL H H 22 8.390 7.737 0.653 1
1 150 . 12 1 1 A 22 22 VAL HA H 22 2.820 3.457 -0.637 1
1 158 . 12 1 1 A 23 23 ALA H H 23 7.530 8.134 -0.604 1
1 159 . 12 1 1 A 23 23 ALA HA H 23 3.980 3.833 0.147 1
1 163 . 12 1 1 A 24 24 LEU H H 24 7.510 7.606 -0.096 1
1 164 . 12 1 1 A 24 24 LEU HA H 24 3.980 4.055 -0.075 1
1 174 . 12 1 1 A 25 25 VAL H H 25 7.780 7.453 0.327 1
1 175 . 12 1 1 A 25 25 VAL HA H 25 4.550 4.314 0.236 1
1 183 . 12 1 1 A 26 26 GLY H H 26 7.790 7.366 0.424 1
1 184 . 12 1 1 A 26 26 GLY HA2 H 26 3.890 4.006 -0.116 1
1 185 . 12 1 1 A 26 26 GLY HA3 H 26 4.430 4.045 0.385 1
1 186 . 12 1 1 A 27 27 ALA H H 27 8.630 8.867 -0.237 1
1 187 . 12 1 1 A 27 27 ALA HA H 27 3.700 3.949 -0.249 1
1 191 . 12 1 1 A 28 28 ALA H H 28 8.490 8.194 0.296 1
1 192 . 12 1 1 A 28 28 ALA HA H 28 4.070 4.034 0.036 1
1 196 . 12 1 1 A 29 29 ALA H H 29 8.220 7.961 0.259 1
1 197 . 12 1 1 A 29 29 ALA HA H 29 4.100 4.098 0.002 1
1 201 . 12 1 1 A 30 30 VAL H H 30 7.230 8.022 -0.792 1
1 202 . 12 1 1 A 30 30 VAL HA H 30 3.280 3.761 -0.481 1
1 210 . 12 1 1 A 31 31 THR H H 31 8.100 7.754 0.346 1
1 211 . 12 1 1 A 31 31 THR HA H 31 4.150 4.151 -0.001 1
1 216 . 12 1 1 A 32 32 ALA H H 32 8.150 7.886 0.264 1
1 217 . 12 1 1 A 32 32 ALA HA H 32 4.220 4.260 -0.040 1
1 221 . 12 1 1 A 33 33 ALA H H 33 7.240 7.475 -0.235 1
1 222 . 12 1 1 A 33 33 ALA HA H 33 4.470 4.395 0.075 1
1 226 . 12 1 1 A 34 34 ASN H H 34 8.240 8.157 0.083 1
1 227 . 12 1 1 A 34 34 ASN HA H 34 4.440 4.421 0.019 1
1 230 . 12 1 1 A 35 35 ILE H H 35 6.980 7.687 -0.707 1
1 231 . 12 1 1 A 35 35 ILE HA H 35 4.660 4.456 0.204 1
1 241 . 12 1 1 A 36 36 ARG H H 36 8.830 8.788 0.042 1
1 242 . 12 1 1 A 36 36 ARG HA H 36 4.640 4.554 0.086 1
1 250 . 12 1 1 A 37 37 ARG H H 37 8.250 8.356 -0.106 1
1 251 . 12 1 1 A 37 37 ARG HA H 37 4.450 4.980 -0.530 1
1 259 . 12 1 1 A 38 38 ALA H H 38 8.960 8.099 0.861 1
1 260 . 12 1 1 A 38 38 ALA HA H 38 4.680 4.727 -0.047 1
1 264 . 12 1 1 A 39 39 SER H H 39 8.580 8.766 -0.186 1
1 265 . 12 1 1 A 39 39 SER HA H 39 4.200 4.170 0.030 1
1 268 . 12 1 1 A 40 40 SER H H 40 7.890 7.646 0.244 1
1 269 . 12 1 1 A 40 40 SER HA H 40 4.650 4.556 0.094 1
1 272 . 12 1 1 A 41 41 ASP H H 41 8.350 8.637 -0.287 1
1 273 . 12 1 1 A 41 41 ASP HA H 41 4.470 4.760 -0.290 1
1 276 . 12 1 1 A 42 42 ASN H H 42 8.000 7.512 0.488 1
1 277 . 12 1 1 A 42 42 ASN HA H 42 4.680 4.702 -0.022 1
1 280 . 12 1 1 A 43 43 HIS H H 43 6.580 8.159 -1.579 1
1 281 . 12 1 1 A 43 43 HIS HA H 43 4.210 5.515 -1.305 1
1 286 . 12 1 1 A 44 44 SER H H 44 8.430 8.561 -0.131 1
1 287 . 12 1 1 A 44 44 SER HA H 44 4.010 3.618 0.392 1
1 290 . 12 1 1 A 45 45 CYS H H 45 8.050 7.794 0.256 1
1 291 . 12 1 1 A 45 45 CYS HA H 45 4.880 4.726 0.154 1
1 294 . 12 1 1 A 46 46 ALA H H 46 8.400 7.480 0.920 1
1 295 . 12 1 1 A 46 46 ALA HA H 46 2.370 3.467 -1.097 1
1 299 . 12 1 1 A 47 47 GLY H H 47 8.270 8.259 0.011 1
1 300 . 12 1 1 A 47 47 GLY HA2 H 47 3.730 3.875 -0.145 1
1 301 . 12 1 1 A 47 47 GLY HA3 H 47 3.790 3.898 -0.108 1
1 302 . 12 1 1 A 48 48 ASN H H 48 8.220 8.848 -0.628 1
1 303 . 12 1 1 A 48 48 ASN HA H 48 4.570 4.481 0.089 1
1 306 . 12 1 1 A 49 49 ARG H H 49 7.600 7.218 0.382 1
1 307 . 12 1 1 A 49 49 ARG HA H 49 4.600 4.462 0.138 1
1 315 . 12 1 1 A 50 50 GLY H H 50 8.120 7.430 0.690 1
1 316 . 12 1 1 A 50 50 GLY HA2 H 50 4.860 3.950 0.910 1
1 317 . 12 1 1 A 50 50 GLY HA3 H 50 3.410 4.051 -0.641 1
1 318 . 12 1 1 A 51 51 TRP H H 51 8.920 8.356 0.564 1
1 319 . 12 1 1 A 51 51 TRP HA H 51 4.470 5.297 -0.827 1
1 328 . 12 1 1 A 52 52 CYS H H 52 7.770 8.908 -1.138 1
1 329 . 12 1 1 A 52 52 CYS HA H 52 5.730 5.569 0.161 1
1 332 . 12 1 1 A 53 53 ARG H H 53 9.340 8.274 1.066 1
1 333 . 12 1 1 A 53 53 ARG HA H 53 4.460 4.806 -0.346 1
1 340 . 12 1 1 A 54 54 SER H H 54 8.320 8.872 -0.552 1
1 341 . 12 1 1 A 54 54 SER HA H 54 3.690 3.831 -0.141 1
1 344 . 12 1 1 A 55 55 LYS H H 55 6.760 7.743 -0.983 1
1 345 . 12 1 1 A 55 55 LYS HA H 55 4.290 4.810 -0.520 1
1 354 . 12 1 1 A 56 56 CYS H H 56 8.780 8.951 -0.171 1
1 355 . 12 1 1 A 56 56 CYS HA H 56 4.690 5.181 -0.491 1
1 358 . 12 1 1 A 57 57 PHE H H 57 8.760 8.752 0.008 1
1 359 . 12 1 1 A 57 57 PHE HA H 57 4.910 4.845 0.065 1
1 367 . 12 1 1 A 58 58 ARG H H 58 8.590 9.045 -0.455 1
1 368 . 12 1 1 A 58 58 ARG HA H 58 4.080 4.209 -0.129 1
1 376 . 12 1 1 A 59 59 HIS H H 59 8.710 8.101 0.609 1
1 377 . 12 1 1 A 59 59 HIS HA H 59 4.790 4.393 0.397 1
1 382 . 12 1 1 A 60 60 GLU H H 60 7.750 7.909 -0.159 1
1 383 . 12 1 1 A 60 60 GLU HA H 60 5.220 5.172 0.048 1
1 388 . 12 1 1 A 61 61 TYR H H 61 9.180 9.004 0.176 1
1 389 . 12 1 1 A 61 61 TYR HA H 61 5.010 5.438 -0.428 1
1 396 . 12 1 1 A 62 62 VAL H H 62 8.490 8.868 -0.378 1
1 397 . 12 1 1 A 62 62 VAL HA H 62 4.020 4.457 -0.437 1
1 405 . 12 1 1 A 63 63 ASP H H 63 9.070 8.148 0.922 1
1 406 . 12 1 1 A 63 63 ASP HA H 63 5.140 4.858 0.282 1
1 409 . 12 1 1 A 64 64 THR H H 64 8.930 8.601 0.329 1
1 410 . 12 1 1 A 64 64 THR HA H 64 4.020 3.986 0.034 1
1 415 . 12 1 1 A 65 65 TYR H H 65 8.440 7.824 0.616 1
1 416 . 12 1 1 A 65 65 TYR HA H 65 4.330 4.263 0.067 1
1 423 . 12 1 1 A 66 66 TYR H H 66 8.010 8.270 -0.260 1
1 424 . 12 1 1 A 66 66 TYR HA H 66 4.280 4.471 -0.191 1
1 431 . 12 1 1 A 67 67 SER H H 67 7.770 8.154 -0.384 1
1 432 . 12 1 1 A 67 67 SER HA H 67 4.120 4.372 -0.252 1
1 435 . 12 1 1 A 68 68 ALA H H 68 8.010 8.077 -0.067 1
1 436 . 12 1 1 A 68 68 ALA HA H 68 4.230 4.183 0.047 1
1 440 . 12 1 1 A 69 69 VAL H H 69 7.220 8.032 -0.812 1
1 441 . 12 1 1 A 69 69 VAL HA H 69 4.330 3.862 0.468 1
1 449 . 12 1 1 A 70 70 CYS H H 70 7.930 7.665 0.265 1
1 450 . 12 1 1 A 70 70 CYS HA H 70 4.680 4.224 0.456 1
1 453 . 12 1 1 A 71 71 GLY H H 71 7.540 7.778 -0.238 1
1 454 . 12 1 1 A 71 71 GLY HA2 H 71 3.420 4.074 -0.654 1
1 455 . 12 1 1 A 71 71 GLY HA3 H 71 4.030 4.090 -0.060 1
1 456 . 12 1 1 A 72 72 ARG H H 72 8.410 8.476 -0.066 1
1 457 . 12 1 1 A 72 72 ARG HA H 72 4.170 4.058 0.112 1
1 465 . 12 1 1 A 73 73 TYR H H 73 7.500 8.069 -0.569 1
1 466 . 12 1 1 A 73 73 TYR HA H 73 4.470 4.128 0.342 1
1 473 . 12 1 1 A 74 74 PHE H H 74 8.540 8.230 0.310 1
1 474 . 12 1 1 A 74 74 PHE HA H 74 4.560 5.038 -0.478 1
1 482 . 12 1 1 A 75 75 CYS H H 75 9.110 8.969 0.141 1
1 483 . 12 1 1 A 75 75 CYS HA H 75 4.840 5.065 -0.225 1
1 486 . 12 1 1 A 76 76 CYS H H 76 8.730 8.746 -0.016 1
1 487 . 12 1 1 A 76 76 CYS HA H 76 5.080 4.989 0.091 1
1 490 . 12 1 1 A 77 77 ARG H H 77 8.930 7.807 1.123 1
1 491 . 12 1 1 A 77 77 ARG HA H 77 4.770 4.868 -0.098 1
1 499 . 12 1 1 A 78 78 SER H H 78 8.770 8.891 -0.121 1
1 500 . 12 1 1 A 78 78 SER HA H 78 4.760 5.050 -0.290 1
1 1 . 13 1 1 A 2 2 PRO HA H 2 4.500 4.439 0.061 1
1 8 . 13 1 1 A 3 3 LEU H H 3 8.160 8.738 -0.578 1
1 9 . 13 1 1 A 3 3 LEU HA H 3 4.350 4.128 0.222 1
1 19 . 13 1 1 A 4 4 ILE H H 4 8.160 8.551 -0.391 1
1 20 . 13 1 1 A 4 4 ILE HA H 4 4.030 4.556 -0.526 1
1 30 . 13 1 1 A 5 5 PRO HA H 5 4.360 4.544 -0.184 1
1 37 . 13 1 1 A 6 6 ALA H H 6 8.320 8.386 -0.066 1
1 38 . 13 1 1 A 6 6 ALA HA H 6 4.000 3.953 0.047 1
1 42 . 13 1 1 A 7 7 ILE H H 7 7.720 7.651 0.069 1
1 43 . 13 1 1 A 7 7 ILE HA H 7 3.880 3.613 0.267 1
1 53 . 13 1 1 A 8 8 TYR H H 8 7.530 7.632 -0.102 1
1 54 . 13 1 1 A 8 8 TYR HA H 8 4.230 4.445 -0.215 1
1 61 . 13 1 1 A 9 9 ILE H H 9 7.350 7.669 -0.319 1
1 62 . 13 1 1 A 9 9 ILE HA H 9 3.620 4.518 -0.898 1
1 72 . 13 1 1 A 10 10 GLY H H 10 8.200 8.747 -0.547 1
1 73 . 13 1 1 A 10 10 GLY HA2 H 10 4.000 3.929 0.071 1
1 74 . 13 1 1 A 10 10 GLY HA3 H 10 4.130 3.936 0.194 1
1 75 . 13 1 1 A 11 11 ALA H H 11 8.130 7.611 0.519 1
1 76 . 13 1 1 A 11 11 ALA HA H 11 4.400 4.951 -0.551 1
1 80 . 13 1 1 A 12 12 THR H H 12 8.130 8.760 -0.630 1
1 81 . 13 1 1 A 12 12 THR HA H 12 4.970 5.250 -0.280 1
1 86 . 13 1 1 A 13 13 VAL H H 13 8.690 8.574 0.116 1
1 87 . 13 1 1 A 13 13 VAL HA H 13 4.690 4.461 0.229 1
1 95 . 13 1 1 A 14 14 GLY H H 14 8.440 8.414 0.026 1
1 96 . 13 1 1 A 14 14 GLY HA2 H 14 4.360 4.057 0.303 1
1 97 . 13 1 1 A 14 14 GLY HA3 H 14 3.580 4.130 -0.550 1
1 98 . 13 1 1 A 15 15 PRO HA H 15 4.120 4.357 -0.237 1
1 105 . 13 1 1 A 16 16 SER H H 16 8.880 8.235 0.645 1
1 106 . 13 1 1 A 16 16 SER HA H 16 4.380 4.265 0.115 1
1 109 . 13 1 1 A 17 17 VAL H H 17 7.260 8.145 -0.885 1
1 110 . 13 1 1 A 17 17 VAL HA H 17 3.940 3.588 0.352 1
1 118 . 13 1 1 A 18 18 TRP H H 18 8.840 8.092 0.748 1
1 119 . 13 1 1 A 18 18 TRP HA H 18 3.810 4.046 -0.236 1
1 125 . 13 1 1 A 19 19 ALA H H 19 7.940 8.228 -0.288 1
1 126 . 13 1 1 A 19 19 ALA HA H 19 3.950 4.058 -0.108 1
1 130 . 13 1 1 A 20 20 TYR H H 20 7.500 7.778 -0.278 1
1 131 . 13 1 1 A 20 20 TYR HA H 20 4.260 4.214 0.046 1
1 138 . 13 1 1 A 21 21 LEU H H 21 8.100 7.959 0.141 1
1 139 . 13 1 1 A 21 21 LEU HA H 21 3.380 3.837 -0.457 1
1 149 . 13 1 1 A 22 22 VAL H H 22 8.390 7.865 0.525 1
1 150 . 13 1 1 A 22 22 VAL HA H 22 2.820 3.269 -0.449 1
1 158 . 13 1 1 A 23 23 ALA H H 23 7.530 7.614 -0.084 1
1 159 . 13 1 1 A 23 23 ALA HA H 23 3.980 3.911 0.069 1
1 163 . 13 1 1 A 24 24 LEU H H 24 7.510 7.514 -0.004 1
1 164 . 13 1 1 A 24 24 LEU HA H 24 3.980 3.889 0.091 1
1 174 . 13 1 1 A 25 25 VAL H H 25 7.780 7.826 -0.046 1
1 175 . 13 1 1 A 25 25 VAL HA H 25 4.550 4.304 0.246 1
1 183 . 13 1 1 A 26 26 GLY H H 26 7.790 6.784 1.006 1
1 184 . 13 1 1 A 26 26 GLY HA2 H 26 3.890 3.973 -0.083 1
1 185 . 13 1 1 A 26 26 GLY HA3 H 26 4.430 3.995 0.435 1
1 186 . 13 1 1 A 27 27 ALA H H 27 8.630 8.688 -0.058 1
1 187 . 13 1 1 A 27 27 ALA HA H 27 3.700 3.995 -0.295 1
1 191 . 13 1 1 A 28 28 ALA H H 28 8.490 7.804 0.686 1
1 192 . 13 1 1 A 28 28 ALA HA H 28 4.070 4.087 -0.017 1
1 196 . 13 1 1 A 29 29 ALA H H 29 8.220 8.094 0.126 1
1 197 . 13 1 1 A 29 29 ALA HA H 29 4.100 4.111 -0.011 1
1 201 . 13 1 1 A 30 30 VAL H H 30 7.230 7.475 -0.245 1
1 202 . 13 1 1 A 30 30 VAL HA H 30 3.280 3.498 -0.218 1
1 210 . 13 1 1 A 31 31 THR H H 31 8.100 7.644 0.456 1
1 211 . 13 1 1 A 31 31 THR HA H 31 4.150 4.376 -0.226 1
1 216 . 13 1 1 A 32 32 ALA H H 32 8.150 7.794 0.356 1
1 217 . 13 1 1 A 32 32 ALA HA H 32 4.220 4.218 0.002 1
1 221 . 13 1 1 A 33 33 ALA H H 33 7.240 7.461 -0.221 1
1 222 . 13 1 1 A 33 33 ALA HA H 33 4.470 4.378 0.092 1
1 226 . 13 1 1 A 34 34 ASN H H 34 8.240 8.153 0.087 1
1 227 . 13 1 1 A 34 34 ASN HA H 34 4.440 4.449 -0.009 1
1 230 . 13 1 1 A 35 35 ILE H H 35 6.980 7.838 -0.858 1
1 231 . 13 1 1 A 35 35 ILE HA H 35 4.660 4.722 -0.062 1
1 241 . 13 1 1 A 36 36 ARG H H 36 8.830 8.873 -0.043 1
1 242 . 13 1 1 A 36 36 ARG HA H 36 4.640 4.806 -0.166 1
1 250 . 13 1 1 A 37 37 ARG H H 37 8.250 8.256 -0.006 1
1 251 . 13 1 1 A 37 37 ARG HA H 37 4.450 5.441 -0.991 1
1 259 . 13 1 1 A 38 38 ALA H H 38 8.960 8.105 0.855 1
1 260 . 13 1 1 A 38 38 ALA HA H 38 4.680 4.675 0.005 1
1 264 . 13 1 1 A 39 39 SER H H 39 8.580 8.488 0.092 1
1 265 . 13 1 1 A 39 39 SER HA H 39 4.200 4.135 0.065 1
1 268 . 13 1 1 A 40 40 SER H H 40 7.890 7.688 0.202 1
1 269 . 13 1 1 A 40 40 SER HA H 40 4.650 4.651 -0.001 1
1 272 . 13 1 1 A 41 41 ASP H H 41 8.350 8.657 -0.307 1
1 273 . 13 1 1 A 41 41 ASP HA H 41 4.470 4.731 -0.261 1
1 276 . 13 1 1 A 42 42 ASN H H 42 8.000 7.448 0.552 1
1 277 . 13 1 1 A 42 42 ASN HA H 42 4.680 4.719 -0.039 1
1 280 . 13 1 1 A 43 43 HIS H H 43 6.580 8.225 -1.645 1
1 281 . 13 1 1 A 43 43 HIS HA H 43 4.210 5.483 -1.273 1
1 286 . 13 1 1 A 44 44 SER H H 44 8.430 8.548 -0.118 1
1 287 . 13 1 1 A 44 44 SER HA H 44 4.010 3.714 0.296 1
1 290 . 13 1 1 A 45 45 CYS H H 45 8.050 7.798 0.252 1
1 291 . 13 1 1 A 45 45 CYS HA H 45 4.880 4.896 -0.016 1
1 294 . 13 1 1 A 46 46 ALA H H 46 8.400 7.807 0.593 1
1 295 . 13 1 1 A 46 46 ALA HA H 46 2.370 3.171 -0.801 1
1 299 . 13 1 1 A 47 47 GLY H H 47 8.270 8.220 0.050 1
1 300 . 13 1 1 A 47 47 GLY HA2 H 47 3.730 3.886 -0.156 1
1 301 . 13 1 1 A 47 47 GLY HA3 H 47 3.790 3.888 -0.098 1
1 302 . 13 1 1 A 48 48 ASN H H 48 8.220 8.762 -0.542 1
1 303 . 13 1 1 A 48 48 ASN HA H 48 4.570 4.699 -0.129 1
1 306 . 13 1 1 A 49 49 ARG H H 49 7.600 7.260 0.340 1
1 307 . 13 1 1 A 49 49 ARG HA H 49 4.600 4.465 0.135 1
1 315 . 13 1 1 A 50 50 GLY H H 50 8.120 7.445 0.675 1
1 316 . 13 1 1 A 50 50 GLY HA2 H 50 4.860 3.989 0.871 1
1 317 . 13 1 1 A 50 50 GLY HA3 H 50 3.410 4.101 -0.691 1
1 318 . 13 1 1 A 51 51 TRP H H 51 8.920 8.469 0.451 1
1 319 . 13 1 1 A 51 51 TRP HA H 51 4.470 5.358 -0.888 1
1 328 . 13 1 1 A 52 52 CYS H H 52 7.770 8.899 -1.129 1
1 329 . 13 1 1 A 52 52 CYS HA H 52 5.730 5.334 0.396 1
1 332 . 13 1 1 A 53 53 ARG H H 53 9.340 8.626 0.714 1
1 333 . 13 1 1 A 53 53 ARG HA H 53 4.460 4.975 -0.515 1
1 340 . 13 1 1 A 54 54 SER H H 54 8.320 9.033 -0.713 1
1 341 . 13 1 1 A 54 54 SER HA H 54 3.690 4.039 -0.349 1
1 344 . 13 1 1 A 55 55 LYS H H 55 6.760 7.692 -0.932 1
1 345 . 13 1 1 A 55 55 LYS HA H 55 4.290 4.525 -0.235 1
1 354 . 13 1 1 A 56 56 CYS H H 56 8.780 8.363 0.417 1
1 355 . 13 1 1 A 56 56 CYS HA H 56 4.690 4.686 0.004 1
1 358 . 13 1 1 A 57 57 PHE H H 57 8.760 8.455 0.305 1
1 359 . 13 1 1 A 57 57 PHE HA H 57 4.910 4.763 0.147 1
1 367 . 13 1 1 A 58 58 ARG H H 58 8.590 9.170 -0.580 1
1 368 . 13 1 1 A 58 58 ARG HA H 58 4.080 4.161 -0.081 1
1 376 . 13 1 1 A 59 59 HIS H H 59 8.710 8.095 0.615 1
1 377 . 13 1 1 A 59 59 HIS HA H 59 4.790 4.363 0.427 1
1 382 . 13 1 1 A 60 60 GLU H H 60 7.750 7.811 -0.061 1
1 383 . 13 1 1 A 60 60 GLU HA H 60 5.220 4.931 0.289 1
1 388 . 13 1 1 A 61 61 TYR H H 61 9.180 8.726 0.454 1
1 389 . 13 1 1 A 61 61 TYR HA H 61 5.010 5.459 -0.449 1
1 396 . 13 1 1 A 62 62 VAL H H 62 8.490 8.902 -0.412 1
1 397 . 13 1 1 A 62 62 VAL HA H 62 4.020 4.522 -0.502 1
1 405 . 13 1 1 A 63 63 ASP H H 63 9.070 8.443 0.627 1
1 406 . 13 1 1 A 63 63 ASP HA H 63 5.140 4.873 0.267 1
1 409 . 13 1 1 A 64 64 THR H H 64 8.930 8.577 0.353 1
1 410 . 13 1 1 A 64 64 THR HA H 64 4.020 3.981 0.039 1
1 415 . 13 1 1 A 65 65 TYR H H 65 8.440 8.238 0.202 1
1 416 . 13 1 1 A 65 65 TYR HA H 65 4.330 4.216 0.114 1
1 423 . 13 1 1 A 66 66 TYR H H 66 8.010 8.329 -0.319 1
1 424 . 13 1 1 A 66 66 TYR HA H 66 4.280 4.444 -0.164 1
1 431 . 13 1 1 A 67 67 SER H H 67 7.770 8.418 -0.648 1
1 432 . 13 1 1 A 67 67 SER HA H 67 4.120 4.450 -0.330 1
1 435 . 13 1 1 A 68 68 ALA H H 68 8.010 7.800 0.210 1
1 436 . 13 1 1 A 68 68 ALA HA H 68 4.230 4.125 0.105 1
1 440 . 13 1 1 A 69 69 VAL H H 69 7.220 8.081 -0.861 1
1 441 . 13 1 1 A 69 69 VAL HA H 69 4.330 4.084 0.246 1
1 449 . 13 1 1 A 70 70 CYS H H 70 7.930 7.649 0.281 1
1 450 . 13 1 1 A 70 70 CYS HA H 70 4.680 4.256 0.424 1
1 453 . 13 1 1 A 71 71 GLY H H 71 7.540 7.625 -0.085 1
1 454 . 13 1 1 A 71 71 GLY HA2 H 71 3.420 4.009 -0.589 1
1 455 . 13 1 1 A 71 71 GLY HA3 H 71 4.030 4.065 -0.035 1
1 456 . 13 1 1 A 72 72 ARG H H 72 8.410 8.789 -0.379 1
1 457 . 13 1 1 A 72 72 ARG HA H 72 4.170 4.016 0.154 1
1 465 . 13 1 1 A 73 73 TYR H H 73 7.500 8.079 -0.579 1
1 466 . 13 1 1 A 73 73 TYR HA H 73 4.470 5.044 -0.574 1
1 473 . 13 1 1 A 74 74 PHE H H 74 8.540 9.106 -0.566 1
1 474 . 13 1 1 A 74 74 PHE HA H 74 4.560 4.989 -0.429 1
1 482 . 13 1 1 A 75 75 CYS H H 75 9.110 8.982 0.128 1
1 483 . 13 1 1 A 75 75 CYS HA H 75 4.840 5.144 -0.304 1
1 486 . 13 1 1 A 76 76 CYS H H 76 8.730 8.936 -0.206 1
1 487 . 13 1 1 A 76 76 CYS HA H 76 5.080 5.536 -0.456 1
1 490 . 13 1 1 A 77 77 ARG H H 77 8.930 7.578 1.352 1
1 491 . 13 1 1 A 77 77 ARG HA H 77 4.770 4.926 -0.156 1
1 499 . 13 1 1 A 78 78 SER H H 78 8.770 8.708 0.062 1
1 500 . 13 1 1 A 78 78 SER HA H 78 4.760 5.253 -0.493 1
1 1 . 14 1 1 A 2 2 PRO HA H 2 4.500 4.752 -0.252 1
1 8 . 14 1 1 A 3 3 LEU H H 3 8.160 8.335 -0.175 1
1 9 . 14 1 1 A 3 3 LEU HA H 3 4.350 4.588 -0.238 1
1 19 . 14 1 1 A 4 4 ILE H H 4 8.160 8.343 -0.183 1
1 20 . 14 1 1 A 4 4 ILE HA H 4 4.030 4.097 -0.067 1
1 30 . 14 1 1 A 5 5 PRO HA H 5 4.360 4.399 -0.039 1
1 37 . 14 1 1 A 6 6 ALA H H 6 8.320 8.347 -0.027 1
1 38 . 14 1 1 A 6 6 ALA HA H 6 4.000 4.043 -0.043 1
1 42 . 14 1 1 A 7 7 ILE H H 7 7.720 7.945 -0.225 1
1 43 . 14 1 1 A 7 7 ILE HA H 7 3.880 3.910 -0.030 1
1 53 . 14 1 1 A 8 8 TYR H H 8 7.530 8.104 -0.574 1
1 54 . 14 1 1 A 8 8 TYR HA H 8 4.230 4.436 -0.206 1
1 61 . 14 1 1 A 9 9 ILE H H 9 7.350 7.717 -0.367 1
1 62 . 14 1 1 A 9 9 ILE HA H 9 3.620 4.550 -0.930 1
1 72 . 14 1 1 A 10 10 GLY H H 10 8.200 8.683 -0.483 1
1 73 . 14 1 1 A 10 10 GLY HA2 H 10 4.000 3.924 0.076 1
1 74 . 14 1 1 A 10 10 GLY HA3 H 10 4.130 3.937 0.193 1
1 75 . 14 1 1 A 11 11 ALA H H 11 8.130 7.669 0.461 1
1 76 . 14 1 1 A 11 11 ALA HA H 11 4.400 4.936 -0.536 1
1 80 . 14 1 1 A 12 12 THR H H 12 8.130 8.658 -0.528 1
1 81 . 14 1 1 A 12 12 THR HA H 12 4.970 5.299 -0.329 1
1 86 . 14 1 1 A 13 13 VAL H H 13 8.690 8.415 0.275 1
1 87 . 14 1 1 A 13 13 VAL HA H 13 4.690 4.362 0.328 1
1 95 . 14 1 1 A 14 14 GLY H H 14 8.440 8.586 -0.146 1
1 96 . 14 1 1 A 14 14 GLY HA2 H 14 4.360 4.107 0.253 1
1 97 . 14 1 1 A 14 14 GLY HA3 H 14 3.580 4.174 -0.594 1
1 98 . 14 1 1 A 15 15 PRO HA H 15 4.120 4.367 -0.247 1
1 105 . 14 1 1 A 16 16 SER H H 16 8.880 8.075 0.805 1
1 106 . 14 1 1 A 16 16 SER HA H 16 4.380 4.263 0.117 1
1 109 . 14 1 1 A 17 17 VAL H H 17 7.260 7.520 -0.260 1
1 110 . 14 1 1 A 17 17 VAL HA H 17 3.940 3.673 0.267 1
1 118 . 14 1 1 A 18 18 TRP H H 18 8.840 8.108 0.732 1
1 119 . 14 1 1 A 18 18 TRP HA H 18 3.810 4.142 -0.332 1
1 125 . 14 1 1 A 19 19 ALA H H 19 7.940 8.432 -0.492 1
1 126 . 14 1 1 A 19 19 ALA HA H 19 3.950 4.146 -0.196 1
1 130 . 14 1 1 A 20 20 TYR H H 20 7.500 7.808 -0.308 1
1 131 . 14 1 1 A 20 20 TYR HA H 20 4.260 4.149 0.111 1
1 138 . 14 1 1 A 21 21 LEU H H 21 8.100 8.080 0.020 1
1 139 . 14 1 1 A 21 21 LEU HA H 21 3.380 3.757 -0.377 1
1 149 . 14 1 1 A 22 22 VAL H H 22 8.390 7.707 0.683 1
1 150 . 14 1 1 A 22 22 VAL HA H 22 2.820 3.327 -0.507 1
1 158 . 14 1 1 A 23 23 ALA H H 23 7.530 7.970 -0.440 1
1 159 . 14 1 1 A 23 23 ALA HA H 23 3.980 3.888 0.092 1
1 163 . 14 1 1 A 24 24 LEU H H 24 7.510 7.427 0.083 1
1 164 . 14 1 1 A 24 24 LEU HA H 24 3.980 3.891 0.089 1
1 174 . 14 1 1 A 25 25 VAL H H 25 7.780 7.682 0.098 1
1 175 . 14 1 1 A 25 25 VAL HA H 25 4.550 4.308 0.242 1
1 183 . 14 1 1 A 26 26 GLY H H 26 7.790 7.307 0.483 1
1 184 . 14 1 1 A 26 26 GLY HA2 H 26 3.890 3.997 -0.107 1
1 185 . 14 1 1 A 26 26 GLY HA3 H 26 4.430 4.015 0.415 1
1 186 . 14 1 1 A 27 27 ALA H H 27 8.630 8.928 -0.298 1
1 187 . 14 1 1 A 27 27 ALA HA H 27 3.700 4.021 -0.321 1
1 191 . 14 1 1 A 28 28 ALA H H 28 8.490 7.965 0.525 1
1 192 . 14 1 1 A 28 28 ALA HA H 28 4.070 4.102 -0.032 1
1 196 . 14 1 1 A 29 29 ALA H H 29 8.220 8.142 0.078 1
1 197 . 14 1 1 A 29 29 ALA HA H 29 4.100 4.070 0.030 1
1 201 . 14 1 1 A 30 30 VAL H H 30 7.230 7.723 -0.493 1
1 202 . 14 1 1 A 30 30 VAL HA H 30 3.280 3.554 -0.274 1
1 210 . 14 1 1 A 31 31 THR H H 31 8.100 7.750 0.350 1
1 211 . 14 1 1 A 31 31 THR HA H 31 4.150 4.371 -0.221 1
1 216 . 14 1 1 A 32 32 ALA H H 32 8.150 7.648 0.502 1
1 217 . 14 1 1 A 32 32 ALA HA H 32 4.220 4.209 0.011 1
1 221 . 14 1 1 A 33 33 ALA H H 33 7.240 7.458 -0.218 1
1 222 . 14 1 1 A 33 33 ALA HA H 33 4.470 4.379 0.091 1
1 226 . 14 1 1 A 34 34 ASN H H 34 8.240 8.147 0.093 1
1 227 . 14 1 1 A 34 34 ASN HA H 34 4.440 4.439 0.001 1
1 230 . 14 1 1 A 35 35 ILE H H 35 6.980 7.815 -0.835 1
1 231 . 14 1 1 A 35 35 ILE HA H 35 4.660 4.622 0.038 1
1 241 . 14 1 1 A 36 36 ARG H H 36 8.830 8.864 -0.034 1
1 242 . 14 1 1 A 36 36 ARG HA H 36 4.640 4.687 -0.047 1
1 250 . 14 1 1 A 37 37 ARG H H 37 8.250 8.263 -0.013 1
1 251 . 14 1 1 A 37 37 ARG HA H 37 4.450 5.177 -0.727 1
1 259 . 14 1 1 A 38 38 ALA H H 38 8.960 8.168 0.792 1
1 260 . 14 1 1 A 38 38 ALA HA H 38 4.680 4.754 -0.074 1
1 264 . 14 1 1 A 39 39 SER H H 39 8.580 8.742 -0.162 1
1 265 . 14 1 1 A 39 39 SER HA H 39 4.200 4.254 -0.054 1
1 268 . 14 1 1 A 40 40 SER H H 40 7.890 7.813 0.077 1
1 269 . 14 1 1 A 40 40 SER HA H 40 4.650 4.733 -0.083 1
1 272 . 14 1 1 A 41 41 ASP H H 41 8.350 8.529 -0.179 1
1 273 . 14 1 1 A 41 41 ASP HA H 41 4.470 4.644 -0.174 1
1 276 . 14 1 1 A 42 42 ASN H H 42 8.000 7.724 0.276 1
1 277 . 14 1 1 A 42 42 ASN HA H 42 4.680 5.058 -0.378 1
1 280 . 14 1 1 A 43 43 HIS H H 43 6.580 8.259 -1.679 1
1 281 . 14 1 1 A 43 43 HIS HA H 43 4.210 5.641 -1.431 1
1 286 . 14 1 1 A 44 44 SER H H 44 8.430 8.593 -0.163 1
1 287 . 14 1 1 A 44 44 SER HA H 44 4.010 3.487 0.523 1
1 290 . 14 1 1 A 45 45 CYS H H 45 8.050 7.904 0.146 1
1 291 . 14 1 1 A 45 45 CYS HA H 45 4.880 4.807 0.073 1
1 294 . 14 1 1 A 46 46 ALA H H 46 8.400 7.351 1.049 1
1 295 . 14 1 1 A 46 46 ALA HA H 46 2.370 3.073 -0.703 1
1 299 . 14 1 1 A 47 47 GLY H H 47 8.270 8.155 0.115 1
1 300 . 14 1 1 A 47 47 GLY HA2 H 47 3.730 3.866 -0.136 1
1 301 . 14 1 1 A 47 47 GLY HA3 H 47 3.790 3.876 -0.086 1
1 302 . 14 1 1 A 48 48 ASN H H 48 8.220 8.567 -0.347 1
1 303 . 14 1 1 A 48 48 ASN HA H 48 4.570 4.710 -0.140 1
1 306 . 14 1 1 A 49 49 ARG H H 49 7.600 7.497 0.103 1
1 307 . 14 1 1 A 49 49 ARG HA H 49 4.600 4.478 0.122 1
1 315 . 14 1 1 A 50 50 GLY H H 50 8.120 7.444 0.676 1
1 316 . 14 1 1 A 50 50 GLY HA2 H 50 4.860 3.981 0.879 1
1 317 . 14 1 1 A 50 50 GLY HA3 H 50 3.410 4.065 -0.655 1
1 318 . 14 1 1 A 51 51 TRP H H 51 8.920 8.303 0.617 1
1 319 . 14 1 1 A 51 51 TRP HA H 51 4.470 5.392 -0.922 1
1 328 . 14 1 1 A 52 52 CYS H H 52 7.770 8.931 -1.161 1
1 329 . 14 1 1 A 52 52 CYS HA H 52 5.730 5.389 0.341 1
1 332 . 14 1 1 A 53 53 ARG H H 53 9.340 8.390 0.950 1
1 333 . 14 1 1 A 53 53 ARG HA H 53 4.460 4.565 -0.105 1
1 340 . 14 1 1 A 54 54 SER H H 54 8.320 8.047 0.273 1
1 341 . 14 1 1 A 54 54 SER HA H 54 3.690 3.843 -0.153 1
1 344 . 14 1 1 A 55 55 LYS H H 55 6.760 7.594 -0.834 1
1 345 . 14 1 1 A 55 55 LYS HA H 55 4.290 4.835 -0.545 1
1 354 . 14 1 1 A 56 56 CYS H H 56 8.780 8.875 -0.095 1
1 355 . 14 1 1 A 56 56 CYS HA H 56 4.690 5.470 -0.780 1
1 358 . 14 1 1 A 57 57 PHE H H 57 8.760 8.946 -0.186 1
1 359 . 14 1 1 A 57 57 PHE HA H 57 4.910 4.828 0.082 1
1 367 . 14 1 1 A 58 58 ARG H H 58 8.590 9.117 -0.527 1
1 368 . 14 1 1 A 58 58 ARG HA H 58 4.080 4.216 -0.136 1
1 376 . 14 1 1 A 59 59 HIS H H 59 8.710 8.307 0.403 1
1 377 . 14 1 1 A 59 59 HIS HA H 59 4.790 4.328 0.462 1
1 382 . 14 1 1 A 60 60 GLU H H 60 7.750 7.772 -0.022 1
1 383 . 14 1 1 A 60 60 GLU HA H 60 5.220 4.873 0.347 1
1 388 . 14 1 1 A 61 61 TYR H H 61 9.180 8.751 0.429 1
1 389 . 14 1 1 A 61 61 TYR HA H 61 5.010 5.335 -0.325 1
1 396 . 14 1 1 A 62 62 VAL H H 62 8.490 8.553 -0.063 1
1 397 . 14 1 1 A 62 62 VAL HA H 62 4.020 4.411 -0.391 1
1 405 . 14 1 1 A 63 63 ASP H H 63 9.070 8.110 0.960 1
1 406 . 14 1 1 A 63 63 ASP HA H 63 5.140 4.788 0.352 1
1 409 . 14 1 1 A 64 64 THR H H 64 8.930 8.614 0.316 1
1 410 . 14 1 1 A 64 64 THR HA H 64 4.020 3.950 0.070 1
1 415 . 14 1 1 A 65 65 TYR H H 65 8.440 8.184 0.256 1
1 416 . 14 1 1 A 65 65 TYR HA H 65 4.330 4.242 0.088 1
1 423 . 14 1 1 A 66 66 TYR H H 66 8.010 8.228 -0.218 1
1 424 . 14 1 1 A 66 66 TYR HA H 66 4.280 4.631 -0.351 1
1 431 . 14 1 1 A 67 67 SER H H 67 7.770 8.055 -0.285 1
1 432 . 14 1 1 A 67 67 SER HA H 67 4.120 4.345 -0.225 1
1 435 . 14 1 1 A 68 68 ALA H H 68 8.010 8.160 -0.150 1
1 436 . 14 1 1 A 68 68 ALA HA H 68 4.230 4.258 -0.028 1
1 440 . 14 1 1 A 69 69 VAL H H 69 7.220 8.039 -0.819 1
1 441 . 14 1 1 A 69 69 VAL HA H 69 4.330 3.915 0.415 1
1 449 . 14 1 1 A 70 70 CYS H H 70 7.930 7.754 0.176 1
1 450 . 14 1 1 A 70 70 CYS HA H 70 4.680 4.260 0.420 1
1 453 . 14 1 1 A 71 71 GLY H H 71 7.540 7.783 -0.243 1
1 454 . 14 1 1 A 71 71 GLY HA2 H 71 3.420 4.017 -0.597 1
1 455 . 14 1 1 A 71 71 GLY HA3 H 71 4.030 4.062 -0.032 1
1 456 . 14 1 1 A 72 72 ARG H H 72 8.410 8.672 -0.262 1
1 457 . 14 1 1 A 72 72 ARG HA H 72 4.170 3.994 0.176 1
1 465 . 14 1 1 A 73 73 TYR H H 73 7.500 7.595 -0.095 1
1 466 . 14 1 1 A 73 73 TYR HA H 73 4.470 4.245 0.225 1
1 473 . 14 1 1 A 74 74 PHE H H 74 8.540 8.453 0.087 1
1 474 . 14 1 1 A 74 74 PHE HA H 74 4.560 5.022 -0.462 1
1 482 . 14 1 1 A 75 75 CYS H H 75 9.110 8.999 0.111 1
1 483 . 14 1 1 A 75 75 CYS HA H 75 4.840 5.004 -0.164 1
1 486 . 14 1 1 A 76 76 CYS H H 76 8.730 8.545 0.185 1
1 487 . 14 1 1 A 76 76 CYS HA H 76 5.080 5.164 -0.084 1
1 490 . 14 1 1 A 77 77 ARG H H 77 8.930 8.026 0.904 1
1 491 . 14 1 1 A 77 77 ARG HA H 77 4.770 4.841 -0.071 1
1 499 . 14 1 1 A 78 78 SER H H 78 8.770 8.900 -0.130 1
1 500 . 14 1 1 A 78 78 SER HA H 78 4.760 4.887 -0.127 1
1 1 . 15 1 1 A 2 2 PRO HA H 2 4.500 4.647 -0.147 1
1 8 . 15 1 1 A 3 3 LEU H H 3 8.160 8.313 -0.153 1
1 9 . 15 1 1 A 3 3 LEU HA H 3 4.350 4.654 -0.304 1
1 19 . 15 1 1 A 4 4 ILE H H 4 8.160 7.319 0.841 1
1 20 . 15 1 1 A 4 4 ILE HA H 4 4.030 4.153 -0.123 1
1 30 . 15 1 1 A 5 5 PRO HA H 5 4.360 4.465 -0.105 1
1 37 . 15 1 1 A 6 6 ALA H H 6 8.320 8.414 -0.094 1
1 38 . 15 1 1 A 6 6 ALA HA H 6 4.000 3.978 0.022 1
1 42 . 15 1 1 A 7 7 ILE H H 7 7.720 7.922 -0.202 1
1 43 . 15 1 1 A 7 7 ILE HA H 7 3.880 3.816 0.064 1
1 53 . 15 1 1 A 8 8 TYR H H 8 7.530 7.724 -0.194 1
1 54 . 15 1 1 A 8 8 TYR HA H 8 4.230 4.302 -0.072 1
1 61 . 15 1 1 A 9 9 ILE H H 9 7.350 7.638 -0.288 1
1 62 . 15 1 1 A 9 9 ILE HA H 9 3.620 4.358 -0.738 1
1 72 . 15 1 1 A 10 10 GLY H H 10 8.200 8.725 -0.525 1
1 73 . 15 1 1 A 10 10 GLY HA2 H 10 4.000 3.916 0.084 1
1 74 . 15 1 1 A 10 10 GLY HA3 H 10 4.130 3.927 0.203 1
1 75 . 15 1 1 A 11 11 ALA H H 11 8.130 7.351 0.779 1
1 76 . 15 1 1 A 11 11 ALA HA H 11 4.400 4.945 -0.545 1
1 80 . 15 1 1 A 12 12 THR H H 12 8.130 8.724 -0.594 1
1 81 . 15 1 1 A 12 12 THR HA H 12 4.970 5.365 -0.395 1
1 86 . 15 1 1 A 13 13 VAL H H 13 8.690 8.476 0.214 1
1 87 . 15 1 1 A 13 13 VAL HA H 13 4.690 4.425 0.265 1
1 95 . 15 1 1 A 14 14 GLY H H 14 8.440 8.392 0.048 1
1 96 . 15 1 1 A 14 14 GLY HA2 H 14 4.360 4.002 0.358 1
1 97 . 15 1 1 A 14 14 GLY HA3 H 14 3.580 4.074 -0.494 1
1 98 . 15 1 1 A 15 15 PRO HA H 15 4.120 4.312 -0.192 1
1 105 . 15 1 1 A 16 16 SER H H 16 8.880 8.255 0.625 1
1 106 . 15 1 1 A 16 16 SER HA H 16 4.380 4.264 0.116 1
1 109 . 15 1 1 A 17 17 VAL H H 17 7.260 8.026 -0.766 1
1 110 . 15 1 1 A 17 17 VAL HA H 17 3.940 3.595 0.345 1
1 118 . 15 1 1 A 18 18 TRP H H 18 8.840 7.992 0.848 1
1 119 . 15 1 1 A 18 18 TRP HA H 18 3.810 4.102 -0.292 1
1 125 . 15 1 1 A 19 19 ALA H H 19 7.940 8.397 -0.457 1
1 126 . 15 1 1 A 19 19 ALA HA H 19 3.950 4.232 -0.282 1
1 130 . 15 1 1 A 20 20 TYR H H 20 7.500 7.955 -0.455 1
1 131 . 15 1 1 A 20 20 TYR HA H 20 4.260 4.158 0.102 1
1 138 . 15 1 1 A 21 21 LEU H H 21 8.100 8.186 -0.086 1
1 139 . 15 1 1 A 21 21 LEU HA H 21 3.380 4.016 -0.636 1
1 149 . 15 1 1 A 22 22 VAL H H 22 8.390 7.655 0.735 1
1 150 . 15 1 1 A 22 22 VAL HA H 22 2.820 3.379 -0.559 1
1 158 . 15 1 1 A 23 23 ALA H H 23 7.530 8.080 -0.550 1
1 159 . 15 1 1 A 23 23 ALA HA H 23 3.980 3.959 0.021 1
1 163 . 15 1 1 A 24 24 LEU H H 24 7.510 7.433 0.077 1
1 164 . 15 1 1 A 24 24 LEU HA H 24 3.980 3.946 0.034 1
1 174 . 15 1 1 A 25 25 VAL H H 25 7.780 7.830 -0.050 1
1 175 . 15 1 1 A 25 25 VAL HA H 25 4.550 4.287 0.263 1
1 183 . 15 1 1 A 26 26 GLY H H 26 7.790 7.267 0.523 1
1 184 . 15 1 1 A 26 26 GLY HA2 H 26 3.890 4.024 -0.134 1
1 185 . 15 1 1 A 26 26 GLY HA3 H 26 4.430 4.037 0.393 1
1 186 . 15 1 1 A 27 27 ALA H H 27 8.630 8.948 -0.318 1
1 187 . 15 1 1 A 27 27 ALA HA H 27 3.700 4.037 -0.337 1
1 191 . 15 1 1 A 28 28 ALA H H 28 8.490 7.878 0.612 1
1 192 . 15 1 1 A 28 28 ALA HA H 28 4.070 4.115 -0.045 1
1 196 . 15 1 1 A 29 29 ALA H H 29 8.220 8.104 0.116 1
1 197 . 15 1 1 A 29 29 ALA HA H 29 4.100 4.116 -0.016 1
1 201 . 15 1 1 A 30 30 VAL H H 30 7.230 7.532 -0.302 1
1 202 . 15 1 1 A 30 30 VAL HA H 30 3.280 3.545 -0.265 1
1 210 . 15 1 1 A 31 31 THR H H 31 8.100 7.762 0.338 1
1 211 . 15 1 1 A 31 31 THR HA H 31 4.150 4.269 -0.119 1
1 216 . 15 1 1 A 32 32 ALA H H 32 8.150 7.673 0.477 1
1 217 . 15 1 1 A 32 32 ALA HA H 32 4.220 4.203 0.017 1
1 221 . 15 1 1 A 33 33 ALA H H 33 7.240 7.432 -0.192 1
1 222 . 15 1 1 A 33 33 ALA HA H 33 4.470 4.359 0.111 1
1 226 . 15 1 1 A 34 34 ASN H H 34 8.240 8.143 0.097 1
1 227 . 15 1 1 A 34 34 ASN HA H 34 4.440 4.419 0.021 1
1 230 . 15 1 1 A 35 35 ILE H H 35 6.980 7.660 -0.680 1
1 231 . 15 1 1 A 35 35 ILE HA H 35 4.660 4.645 0.015 1
1 241 . 15 1 1 A 36 36 ARG H H 36 8.830 8.875 -0.045 1
1 242 . 15 1 1 A 36 36 ARG HA H 36 4.640 4.945 -0.305 1
1 250 . 15 1 1 A 37 37 ARG H H 37 8.250 8.422 -0.172 1
1 251 . 15 1 1 A 37 37 ARG HA H 37 4.450 5.254 -0.804 1
1 259 . 15 1 1 A 38 38 ALA H H 38 8.960 7.986 0.974 1
1 260 . 15 1 1 A 38 38 ALA HA H 38 4.680 4.684 -0.004 1
1 264 . 15 1 1 A 39 39 SER H H 39 8.580 8.517 0.063 1
1 265 . 15 1 1 A 39 39 SER HA H 39 4.200 4.160 0.040 1
1 268 . 15 1 1 A 40 40 SER H H 40 7.890 7.739 0.151 1
1 269 . 15 1 1 A 40 40 SER HA H 40 4.650 4.652 -0.002 1
1 272 . 15 1 1 A 41 41 ASP H H 41 8.350 8.580 -0.230 1
1 273 . 15 1 1 A 41 41 ASP HA H 41 4.470 4.669 -0.199 1
1 276 . 15 1 1 A 42 42 ASN H H 42 8.000 7.411 0.589 1
1 277 . 15 1 1 A 42 42 ASN HA H 42 4.680 4.734 -0.054 1
1 280 . 15 1 1 A 43 43 HIS H H 43 6.580 8.253 -1.673 1
1 281 . 15 1 1 A 43 43 HIS HA H 43 4.210 5.571 -1.361 1
1 286 . 15 1 1 A 44 44 SER H H 44 8.430 8.549 -0.119 1
1 287 . 15 1 1 A 44 44 SER HA H 44 4.010 3.544 0.466 1
1 290 . 15 1 1 A 45 45 CYS H H 45 8.050 7.792 0.258 1
1 291 . 15 1 1 A 45 45 CYS HA H 45 4.880 4.914 -0.034 1
1 294 . 15 1 1 A 46 46 ALA H H 46 8.400 8.191 0.209 1
1 295 . 15 1 1 A 46 46 ALA HA H 46 2.370 3.166 -0.796 1
1 299 . 15 1 1 A 47 47 GLY H H 47 8.270 8.253 0.017 1
1 300 . 15 1 1 A 47 47 GLY HA2 H 47 3.730 3.879 -0.149 1
1 301 . 15 1 1 A 47 47 GLY HA3 H 47 3.790 3.884 -0.094 1
1 302 . 15 1 1 A 48 48 ASN H H 48 8.220 8.657 -0.437 1
1 303 . 15 1 1 A 48 48 ASN HA H 48 4.570 4.738 -0.168 1
1 306 . 15 1 1 A 49 49 ARG H H 49 7.600 7.544 0.056 1
1 307 . 15 1 1 A 49 49 ARG HA H 49 4.600 4.498 0.102 1
1 315 . 15 1 1 A 50 50 GLY H H 50 8.120 7.421 0.699 1
1 316 . 15 1 1 A 50 50 GLY HA2 H 50 4.860 3.968 0.892 1
1 317 . 15 1 1 A 50 50 GLY HA3 H 50 3.410 4.063 -0.653 1
1 318 . 15 1 1 A 51 51 TRP H H 51 8.920 8.297 0.623 1
1 319 . 15 1 1 A 51 51 TRP HA H 51 4.470 5.391 -0.921 1
1 328 . 15 1 1 A 52 52 CYS H H 52 7.770 8.904 -1.134 1
1 329 . 15 1 1 A 52 52 CYS HA H 52 5.730 5.412 0.318 1
1 332 . 15 1 1 A 53 53 ARG H H 53 9.340 8.680 0.660 1
1 333 . 15 1 1 A 53 53 ARG HA H 53 4.460 4.964 -0.504 1
1 340 . 15 1 1 A 54 54 SER H H 54 8.320 8.913 -0.593 1
1 341 . 15 1 1 A 54 54 SER HA H 54 3.690 3.964 -0.274 1
1 344 . 15 1 1 A 55 55 LYS H H 55 6.760 7.451 -0.691 1
1 345 . 15 1 1 A 55 55 LYS HA H 55 4.290 4.454 -0.164 1
1 354 . 15 1 1 A 56 56 CYS H H 56 8.780 8.380 0.400 1
1 355 . 15 1 1 A 56 56 CYS HA H 56 4.690 4.501 0.189 1
1 358 . 15 1 1 A 57 57 PHE H H 57 8.760 8.137 0.623 1
1 359 . 15 1 1 A 57 57 PHE HA H 57 4.910 4.825 0.085 1
1 367 . 15 1 1 A 58 58 ARG H H 58 8.590 9.080 -0.490 1
1 368 . 15 1 1 A 58 58 ARG HA H 58 4.080 4.143 -0.063 1
1 376 . 15 1 1 A 59 59 HIS H H 59 8.710 8.197 0.513 1
1 377 . 15 1 1 A 59 59 HIS HA H 59 4.790 4.255 0.535 1
1 382 . 15 1 1 A 60 60 GLU H H 60 7.750 8.042 -0.292 1
1 383 . 15 1 1 A 60 60 GLU HA H 60 5.220 4.824 0.396 1
1 388 . 15 1 1 A 61 61 TYR H H 61 9.180 8.862 0.318 1
1 389 . 15 1 1 A 61 61 TYR HA H 61 5.010 5.335 -0.325 1
1 396 . 15 1 1 A 62 62 VAL H H 62 8.490 8.636 -0.146 1
1 397 . 15 1 1 A 62 62 VAL HA H 62 4.020 4.330 -0.310 1
1 405 . 15 1 1 A 63 63 ASP H H 63 9.070 8.106 0.964 1
1 406 . 15 1 1 A 63 63 ASP HA H 63 5.140 4.816 0.324 1
1 409 . 15 1 1 A 64 64 THR H H 64 8.930 8.638 0.292 1
1 410 . 15 1 1 A 64 64 THR HA H 64 4.020 3.998 0.022 1
1 415 . 15 1 1 A 65 65 TYR H H 65 8.440 8.211 0.229 1
1 416 . 15 1 1 A 65 65 TYR HA H 65 4.330 4.243 0.087 1
1 423 . 15 1 1 A 66 66 TYR H H 66 8.010 8.333 -0.323 1
1 424 . 15 1 1 A 66 66 TYR HA H 66 4.280 4.586 -0.306 1
1 431 . 15 1 1 A 67 67 SER H H 67 7.770 8.450 -0.680 1
1 432 . 15 1 1 A 67 67 SER HA H 67 4.120 4.461 -0.341 1
1 435 . 15 1 1 A 68 68 ALA H H 68 8.010 8.033 -0.023 1
1 436 . 15 1 1 A 68 68 ALA HA H 68 4.230 4.139 0.091 1
1 440 . 15 1 1 A 69 69 VAL H H 69 7.220 8.282 -1.062 1
1 441 . 15 1 1 A 69 69 VAL HA H 69 4.330 3.642 0.688 1
1 449 . 15 1 1 A 70 70 CYS H H 70 7.930 7.637 0.293 1
1 450 . 15 1 1 A 70 70 CYS HA H 70 4.680 4.310 0.370 1
1 453 . 15 1 1 A 71 71 GLY H H 71 7.540 7.877 -0.337 1
1 454 . 15 1 1 A 71 71 GLY HA2 H 71 3.420 3.970 -0.550 1
1 455 . 15 1 1 A 71 71 GLY HA3 H 71 4.030 4.012 0.018 1
1 456 . 15 1 1 A 72 72 ARG H H 72 8.410 8.714 -0.304 1
1 457 . 15 1 1 A 72 72 ARG HA H 72 4.170 3.978 0.192 1
1 465 . 15 1 1 A 73 73 TYR H H 73 7.500 8.045 -0.545 1
1 466 . 15 1 1 A 73 73 TYR HA H 73 4.470 4.842 -0.372 1
1 473 . 15 1 1 A 74 74 PHE H H 74 8.540 9.089 -0.549 1
1 474 . 15 1 1 A 74 74 PHE HA H 74 4.560 5.048 -0.488 1
1 482 . 15 1 1 A 75 75 CYS H H 75 9.110 8.959 0.151 1
1 483 . 15 1 1 A 75 75 CYS HA H 75 4.840 5.067 -0.227 1
1 486 . 15 1 1 A 76 76 CYS H H 76 8.730 8.518 0.212 1
1 487 . 15 1 1 A 76 76 CYS HA H 76 5.080 5.053 0.027 1
1 490 . 15 1 1 A 77 77 ARG H H 77 8.930 7.960 0.970 1
1 491 . 15 1 1 A 77 77 ARG HA H 77 4.770 4.819 -0.049 1
1 499 . 15 1 1 A 78 78 SER H H 78 8.770 8.907 -0.137 1
1 500 . 15 1 1 A 78 78 SER HA H 78 4.760 5.030 -0.270 1
1 1 . 16 1 1 A 2 2 PRO HA H 2 4.500 4.756 -0.256 1
1 8 . 16 1 1 A 3 3 LEU H H 3 8.160 8.555 -0.395 1
1 9 . 16 1 1 A 3 3 LEU HA H 3 4.350 4.765 -0.415 1
1 19 . 16 1 1 A 4 4 ILE H H 4 8.160 8.706 -0.546 1
1 20 . 16 1 1 A 4 4 ILE HA H 4 4.030 4.466 -0.436 1
1 30 . 16 1 1 A 5 5 PRO HA H 5 4.360 4.554 -0.194 1
1 37 . 16 1 1 A 6 6 ALA H H 6 8.320 8.010 0.310 1
1 38 . 16 1 1 A 6 6 ALA HA H 6 4.000 4.203 -0.203 1
1 42 . 16 1 1 A 7 7 ILE H H 7 7.720 7.802 -0.082 1
1 43 . 16 1 1 A 7 7 ILE HA H 7 3.880 3.477 0.403 1
1 53 . 16 1 1 A 8 8 TYR H H 8 7.530 7.883 -0.353 1
1 54 . 16 1 1 A 8 8 TYR HA H 8 4.230 4.352 -0.122 1
1 61 . 16 1 1 A 9 9 ILE H H 9 7.350 7.582 -0.232 1
1 62 . 16 1 1 A 9 9 ILE HA H 9 3.620 4.489 -0.869 1
1 72 . 16 1 1 A 10 10 GLY H H 10 8.200 8.742 -0.542 1
1 73 . 16 1 1 A 10 10 GLY HA2 H 10 4.000 3.904 0.096 1
1 74 . 16 1 1 A 10 10 GLY HA3 H 10 4.130 3.918 0.212 1
1 75 . 16 1 1 A 11 11 ALA H H 11 8.130 7.621 0.509 1
1 76 . 16 1 1 A 11 11 ALA HA H 11 4.400 4.875 -0.475 1
1 80 . 16 1 1 A 12 12 THR H H 12 8.130 8.613 -0.483 1
1 81 . 16 1 1 A 12 12 THR HA H 12 4.970 5.316 -0.346 1
1 86 . 16 1 1 A 13 13 VAL H H 13 8.690 8.511 0.179 1
1 87 . 16 1 1 A 13 13 VAL HA H 13 4.690 4.287 0.403 1
1 95 . 16 1 1 A 14 14 GLY H H 14 8.440 8.485 -0.045 1
1 96 . 16 1 1 A 14 14 GLY HA2 H 14 4.360 4.121 0.239 1
1 97 . 16 1 1 A 14 14 GLY HA3 H 14 3.580 4.164 -0.584 1
1 98 . 16 1 1 A 15 15 PRO HA H 15 4.120 4.319 -0.199 1
1 105 . 16 1 1 A 16 16 SER H H 16 8.880 8.244 0.636 1
1 106 . 16 1 1 A 16 16 SER HA H 16 4.380 4.251 0.129 1
1 109 . 16 1 1 A 17 17 VAL H H 17 7.260 7.961 -0.701 1
1 110 . 16 1 1 A 17 17 VAL HA H 17 3.940 3.584 0.356 1
1 118 . 16 1 1 A 18 18 TRP H H 18 8.840 8.004 0.836 1
1 119 . 16 1 1 A 18 18 TRP HA H 18 3.810 4.093 -0.283 1
1 125 . 16 1 1 A 19 19 ALA H H 19 7.940 8.310 -0.370 1
1 126 . 16 1 1 A 19 19 ALA HA H 19 3.950 4.218 -0.268 1
1 130 . 16 1 1 A 20 20 TYR H H 20 7.500 7.830 -0.330 1
1 131 . 16 1 1 A 20 20 TYR HA H 20 4.260 4.166 0.094 1
1 138 . 16 1 1 A 21 21 LEU H H 21 8.100 8.162 -0.062 1
1 139 . 16 1 1 A 21 21 LEU HA H 21 3.380 3.995 -0.615 1
1 149 . 16 1 1 A 22 22 VAL H H 22 8.390 7.905 0.485 1
1 150 . 16 1 1 A 22 22 VAL HA H 22 2.820 3.457 -0.637 1
1 158 . 16 1 1 A 23 23 ALA H H 23 7.530 8.027 -0.497 1
1 159 . 16 1 1 A 23 23 ALA HA H 23 3.980 3.903 0.077 1
1 163 . 16 1 1 A 24 24 LEU H H 24 7.510 7.512 -0.002 1
1 164 . 16 1 1 A 24 24 LEU HA H 24 3.980 4.011 -0.031 1
1 174 . 16 1 1 A 25 25 VAL H H 25 7.780 7.918 -0.138 1
1 175 . 16 1 1 A 25 25 VAL HA H 25 4.550 4.332 0.218 1
1 183 . 16 1 1 A 26 26 GLY H H 26 7.790 7.349 0.441 1
1 184 . 16 1 1 A 26 26 GLY HA2 H 26 3.890 4.036 -0.146 1
1 185 . 16 1 1 A 26 26 GLY HA3 H 26 4.430 4.042 0.388 1
1 186 . 16 1 1 A 27 27 ALA H H 27 8.630 8.979 -0.349 1
1 187 . 16 1 1 A 27 27 ALA HA H 27 3.700 4.112 -0.412 1
1 191 . 16 1 1 A 28 28 ALA H H 28 8.490 7.929 0.561 1
1 192 . 16 1 1 A 28 28 ALA HA H 28 4.070 4.117 -0.047 1
1 196 . 16 1 1 A 29 29 ALA H H 29 8.220 8.178 0.042 1
1 197 . 16 1 1 A 29 29 ALA HA H 29 4.100 4.074 0.026 1
1 201 . 16 1 1 A 30 30 VAL H H 30 7.230 7.732 -0.502 1
1 202 . 16 1 1 A 30 30 VAL HA H 30 3.280 3.527 -0.247 1
1 210 . 16 1 1 A 31 31 THR H H 31 8.100 7.883 0.217 1
1 211 . 16 1 1 A 31 31 THR HA H 31 4.150 4.007 0.143 1
1 216 . 16 1 1 A 32 32 ALA H H 32 8.150 7.911 0.239 1
1 217 . 16 1 1 A 32 32 ALA HA H 32 4.220 4.206 0.014 1
1 221 . 16 1 1 A 33 33 ALA H H 33 7.240 7.359 -0.119 1
1 222 . 16 1 1 A 33 33 ALA HA H 33 4.470 4.346 0.124 1
1 226 . 16 1 1 A 34 34 ASN H H 34 8.240 7.827 0.413 1
1 227 . 16 1 1 A 34 34 ASN HA H 34 4.440 4.417 0.023 1
1 230 . 16 1 1 A 35 35 ILE H H 35 6.980 7.630 -0.650 1
1 231 . 16 1 1 A 35 35 ILE HA H 35 4.660 4.514 0.146 1
1 241 . 16 1 1 A 36 36 ARG H H 36 8.830 8.864 -0.034 1
1 242 . 16 1 1 A 36 36 ARG HA H 36 4.640 4.985 -0.345 1
1 250 . 16 1 1 A 37 37 ARG H H 37 8.250 8.443 -0.193 1
1 251 . 16 1 1 A 37 37 ARG HA H 37 4.450 5.044 -0.594 1
1 259 . 16 1 1 A 38 38 ALA H H 38 8.960 8.099 0.861 1
1 260 . 16 1 1 A 38 38 ALA HA H 38 4.680 4.743 -0.063 1
1 264 . 16 1 1 A 39 39 SER H H 39 8.580 8.575 0.005 1
1 265 . 16 1 1 A 39 39 SER HA H 39 4.200 4.170 0.030 1
1 268 . 16 1 1 A 40 40 SER H H 40 7.890 7.752 0.138 1
1 269 . 16 1 1 A 40 40 SER HA H 40 4.650 4.610 0.040 1
1 272 . 16 1 1 A 41 41 ASP H H 41 8.350 8.462 -0.112 1
1 273 . 16 1 1 A 41 41 ASP HA H 41 4.470 4.583 -0.113 1
1 276 . 16 1 1 A 42 42 ASN H H 42 8.000 7.422 0.578 1
1 277 . 16 1 1 A 42 42 ASN HA H 42 4.680 4.905 -0.225 1
1 280 . 16 1 1 A 43 43 HIS H H 43 6.580 8.247 -1.667 1
1 281 . 16 1 1 A 43 43 HIS HA H 43 4.210 5.576 -1.366 1
1 286 . 16 1 1 A 44 44 SER H H 44 8.430 8.570 -0.140 1
1 287 . 16 1 1 A 44 44 SER HA H 44 4.010 3.221 0.789 1
1 290 . 16 1 1 A 45 45 CYS H H 45 8.050 7.711 0.339 1
1 291 . 16 1 1 A 45 45 CYS HA H 45 4.880 4.800 0.080 1
1 294 . 16 1 1 A 46 46 ALA H H 46 8.400 7.523 0.877 1
1 295 . 16 1 1 A 46 46 ALA HA H 46 2.370 3.219 -0.849 1
1 299 . 16 1 1 A 47 47 GLY H H 47 8.270 8.178 0.092 1
1 300 . 16 1 1 A 47 47 GLY HA2 H 47 3.730 3.873 -0.143 1
1 301 . 16 1 1 A 47 47 GLY HA3 H 47 3.790 3.898 -0.108 1
1 302 . 16 1 1 A 48 48 ASN H H 48 8.220 8.784 -0.564 1
1 303 . 16 1 1 A 48 48 ASN HA H 48 4.570 4.779 -0.209 1
1 306 . 16 1 1 A 49 49 ARG H H 49 7.600 7.645 -0.045 1
1 307 . 16 1 1 A 49 49 ARG HA H 49 4.600 4.491 0.109 1
1 315 . 16 1 1 A 50 50 GLY H H 50 8.120 7.396 0.724 1
1 316 . 16 1 1 A 50 50 GLY HA2 H 50 4.860 4.036 0.824 1
1 317 . 16 1 1 A 50 50 GLY HA3 H 50 3.410 4.127 -0.717 1
1 318 . 16 1 1 A 51 51 TRP H H 51 8.920 8.294 0.626 1
1 319 . 16 1 1 A 51 51 TRP HA H 51 4.470 5.449 -0.979 1
1 328 . 16 1 1 A 52 52 CYS H H 52 7.770 8.933 -1.163 1
1 329 . 16 1 1 A 52 52 CYS HA H 52 5.730 5.545 0.185 1
1 332 . 16 1 1 A 53 53 ARG H H 53 9.340 8.506 0.834 1
1 333 . 16 1 1 A 53 53 ARG HA H 53 4.460 4.740 -0.280 1
1 340 . 16 1 1 A 54 54 SER H H 54 8.320 8.456 -0.136 1
1 341 . 16 1 1 A 54 54 SER HA H 54 3.690 3.298 0.392 1
1 344 . 16 1 1 A 55 55 LYS H H 55 6.760 7.382 -0.622 1
1 345 . 16 1 1 A 55 55 LYS HA H 55 4.290 4.833 -0.543 1
1 354 . 16 1 1 A 56 56 CYS H H 56 8.780 8.755 0.025 1
1 355 . 16 1 1 A 56 56 CYS HA H 56 4.690 5.146 -0.456 1
1 358 . 16 1 1 A 57 57 PHE H H 57 8.760 8.684 0.076 1
1 359 . 16 1 1 A 57 57 PHE HA H 57 4.910 4.847 0.063 1
1 367 . 16 1 1 A 58 58 ARG H H 58 8.590 9.062 -0.472 1
1 368 . 16 1 1 A 58 58 ARG HA H 58 4.080 4.206 -0.126 1
1 376 . 16 1 1 A 59 59 HIS H H 59 8.710 8.407 0.303 1
1 377 . 16 1 1 A 59 59 HIS HA H 59 4.790 4.326 0.464 1
1 382 . 16 1 1 A 60 60 GLU H H 60 7.750 7.921 -0.171 1
1 383 . 16 1 1 A 60 60 GLU HA H 60 5.220 5.098 0.122 1
1 388 . 16 1 1 A 61 61 TYR H H 61 9.180 8.764 0.416 1
1 389 . 16 1 1 A 61 61 TYR HA H 61 5.010 5.150 -0.140 1
1 396 . 16 1 1 A 62 62 VAL H H 62 8.490 8.476 0.014 1
1 397 . 16 1 1 A 62 62 VAL HA H 62 4.020 4.350 -0.330 1
1 405 . 16 1 1 A 63 63 ASP H H 63 9.070 8.090 0.980 1
1 406 . 16 1 1 A 63 63 ASP HA H 63 5.140 4.745 0.395 1
1 409 . 16 1 1 A 64 64 THR H H 64 8.930 8.576 0.354 1
1 410 . 16 1 1 A 64 64 THR HA H 64 4.020 3.956 0.064 1
1 415 . 16 1 1 A 65 65 TYR H H 65 8.440 8.133 0.307 1
1 416 . 16 1 1 A 65 65 TYR HA H 65 4.330 4.224 0.106 1
1 423 . 16 1 1 A 66 66 TYR H H 66 8.010 8.108 -0.098 1
1 424 . 16 1 1 A 66 66 TYR HA H 66 4.280 4.397 -0.117 1
1 431 . 16 1 1 A 67 67 SER H H 67 7.770 8.001 -0.231 1
1 432 . 16 1 1 A 67 67 SER HA H 67 4.120 4.320 -0.200 1
1 435 . 16 1 1 A 68 68 ALA H H 68 8.010 8.105 -0.095 1
1 436 . 16 1 1 A 68 68 ALA HA H 68 4.230 4.218 0.012 1
1 440 . 16 1 1 A 69 69 VAL H H 69 7.220 8.329 -1.109 1
1 441 . 16 1 1 A 69 69 VAL HA H 69 4.330 3.847 0.483 1
1 449 . 16 1 1 A 70 70 CYS H H 70 7.930 7.683 0.247 1
1 450 . 16 1 1 A 70 70 CYS HA H 70 4.680 4.198 0.482 1
1 453 . 16 1 1 A 71 71 GLY H H 71 7.540 7.853 -0.313 1
1 454 . 16 1 1 A 71 71 GLY HA2 H 71 3.420 3.969 -0.549 1
1 455 . 16 1 1 A 71 71 GLY HA3 H 71 4.030 3.986 0.044 1
1 456 . 16 1 1 A 72 72 ARG H H 72 8.410 8.225 0.185 1
1 457 . 16 1 1 A 72 72 ARG HA H 72 4.170 4.013 0.157 1
1 465 . 16 1 1 A 73 73 TYR H H 73 7.500 7.828 -0.328 1
1 466 . 16 1 1 A 73 73 TYR HA H 73 4.470 4.265 0.205 1
1 473 . 16 1 1 A 74 74 PHE H H 74 8.540 8.572 -0.032 1
1 474 . 16 1 1 A 74 74 PHE HA H 74 4.560 5.040 -0.480 1
1 482 . 16 1 1 A 75 75 CYS H H 75 9.110 9.004 0.106 1
1 483 . 16 1 1 A 75 75 CYS HA H 75 4.840 5.048 -0.208 1
1 486 . 16 1 1 A 76 76 CYS H H 76 8.730 8.610 0.120 1
1 487 . 16 1 1 A 76 76 CYS HA H 76 5.080 5.260 -0.180 1
1 490 . 16 1 1 A 77 77 ARG H H 77 8.930 8.014 0.916 1
1 491 . 16 1 1 A 77 77 ARG HA H 77 4.770 4.918 -0.148 1
1 499 . 16 1 1 A 78 78 SER H H 78 8.770 8.945 -0.175 1
1 500 . 16 1 1 A 78 78 SER HA H 78 4.760 5.033 -0.273 1
1 1 . 17 1 1 A 2 2 PRO HA H 2 4.500 4.629 -0.129 1
1 8 . 17 1 1 A 3 3 LEU H H 3 8.160 8.413 -0.253 1
1 9 . 17 1 1 A 3 3 LEU HA H 3 4.350 4.920 -0.570 1
1 19 . 17 1 1 A 4 4 ILE H H 4 8.160 8.665 -0.505 1
1 20 . 17 1 1 A 4 4 ILE HA H 4 4.030 4.454 -0.424 1
1 30 . 17 1 1 A 5 5 PRO HA H 5 4.360 4.545 -0.185 1
1 37 . 17 1 1 A 6 6 ALA H H 6 8.320 8.380 -0.060 1
1 38 . 17 1 1 A 6 6 ALA HA H 6 4.000 3.984 0.016 1
1 42 . 17 1 1 A 7 7 ILE H H 7 7.720 7.590 0.130 1
1 43 . 17 1 1 A 7 7 ILE HA H 7 3.880 3.496 0.384 1
1 53 . 17 1 1 A 8 8 TYR H H 8 7.530 7.564 -0.034 1
1 54 . 17 1 1 A 8 8 TYR HA H 8 4.230 4.454 -0.224 1
1 61 . 17 1 1 A 9 9 ILE H H 9 7.350 7.601 -0.251 1
1 62 . 17 1 1 A 9 9 ILE HA H 9 3.620 4.551 -0.931 1
1 72 . 17 1 1 A 10 10 GLY H H 10 8.200 8.872 -0.672 1
1 73 . 17 1 1 A 10 10 GLY HA2 H 10 4.000 3.919 0.081 1
1 74 . 17 1 1 A 10 10 GLY HA3 H 10 4.130 3.925 0.205 1
1 75 . 17 1 1 A 11 11 ALA H H 11 8.130 7.397 0.733 1
1 76 . 17 1 1 A 11 11 ALA HA H 11 4.400 4.947 -0.547 1
1 80 . 17 1 1 A 12 12 THR H H 12 8.130 8.725 -0.595 1
1 81 . 17 1 1 A 12 12 THR HA H 12 4.970 5.294 -0.324 1
1 86 . 17 1 1 A 13 13 VAL H H 13 8.690 8.465 0.225 1
1 87 . 17 1 1 A 13 13 VAL HA H 13 4.690 4.414 0.276 1
1 95 . 17 1 1 A 14 14 GLY H H 14 8.440 8.434 0.006 1
1 96 . 17 1 1 A 14 14 GLY HA2 H 14 4.360 4.143 0.217 1
1 97 . 17 1 1 A 14 14 GLY HA3 H 14 3.580 4.192 -0.612 1
1 98 . 17 1 1 A 15 15 PRO HA H 15 4.120 4.351 -0.231 1
1 105 . 17 1 1 A 16 16 SER H H 16 8.880 8.250 0.630 1
1 106 . 17 1 1 A 16 16 SER HA H 16 4.380 4.247 0.133 1
1 109 . 17 1 1 A 17 17 VAL H H 17 7.260 8.055 -0.795 1
1 110 . 17 1 1 A 17 17 VAL HA H 17 3.940 3.560 0.380 1
1 118 . 17 1 1 A 18 18 TRP H H 18 8.840 8.057 0.783 1
1 119 . 17 1 1 A 18 18 TRP HA H 18 3.810 4.051 -0.241 1
1 125 . 17 1 1 A 19 19 ALA H H 19 7.940 8.192 -0.252 1
1 126 . 17 1 1 A 19 19 ALA HA H 19 3.950 4.118 -0.168 1
1 130 . 17 1 1 A 20 20 TYR H H 20 7.500 7.781 -0.281 1
1 131 . 17 1 1 A 20 20 TYR HA H 20 4.260 4.104 0.156 1
1 138 . 17 1 1 A 21 21 LEU H H 21 8.100 8.117 -0.017 1
1 139 . 17 1 1 A 21 21 LEU HA H 21 3.380 3.928 -0.548 1
1 149 . 17 1 1 A 22 22 VAL H H 22 8.390 7.987 0.403 1
1 150 . 17 1 1 A 22 22 VAL HA H 22 2.820 3.295 -0.475 1
1 158 . 17 1 1 A 23 23 ALA H H 23 7.530 7.846 -0.316 1
1 159 . 17 1 1 A 23 23 ALA HA H 23 3.980 3.874 0.106 1
1 163 . 17 1 1 A 24 24 LEU H H 24 7.510 7.507 0.003 1
1 164 . 17 1 1 A 24 24 LEU HA H 24 3.980 3.938 0.042 1
1 174 . 17 1 1 A 25 25 VAL H H 25 7.780 7.325 0.455 1
1 175 . 17 1 1 A 25 25 VAL HA H 25 4.550 4.289 0.261 1
1 183 . 17 1 1 A 26 26 GLY H H 26 7.790 7.100 0.690 1
1 184 . 17 1 1 A 26 26 GLY HA2 H 26 3.890 3.942 -0.052 1
1 185 . 17 1 1 A 26 26 GLY HA3 H 26 4.430 3.958 0.472 1
1 186 . 17 1 1 A 27 27 ALA H H 27 8.630 8.894 -0.264 1
1 187 . 17 1 1 A 27 27 ALA HA H 27 3.700 3.892 -0.192 1
1 191 . 17 1 1 A 28 28 ALA H H 28 8.490 8.161 0.329 1
1 192 . 17 1 1 A 28 28 ALA HA H 28 4.070 4.020 0.050 1
1 196 . 17 1 1 A 29 29 ALA H H 29 8.220 7.913 0.307 1
1 197 . 17 1 1 A 29 29 ALA HA H 29 4.100 4.057 0.043 1
1 201 . 17 1 1 A 30 30 VAL H H 30 7.230 7.875 -0.645 1
1 202 . 17 1 1 A 30 30 VAL HA H 30 3.280 3.474 -0.194 1
1 210 . 17 1 1 A 31 31 THR H H 31 8.100 7.920 0.180 1
1 211 . 17 1 1 A 31 31 THR HA H 31 4.150 4.030 0.120 1
1 216 . 17 1 1 A 32 32 ALA H H 32 8.150 8.100 0.050 1
1 217 . 17 1 1 A 32 32 ALA HA H 32 4.220 4.191 0.029 1
1 221 . 17 1 1 A 33 33 ALA H H 33 7.240 7.516 -0.276 1
1 222 . 17 1 1 A 33 33 ALA HA H 33 4.470 4.368 0.102 1
1 226 . 17 1 1 A 34 34 ASN H H 34 8.240 8.018 0.222 1
1 227 . 17 1 1 A 34 34 ASN HA H 34 4.440 4.447 -0.007 1
1 230 . 17 1 1 A 35 35 ILE H H 35 6.980 7.700 -0.720 1
1 231 . 17 1 1 A 35 35 ILE HA H 35 4.660 4.700 -0.040 1
1 241 . 17 1 1 A 36 36 ARG H H 36 8.830 8.983 -0.153 1
1 242 . 17 1 1 A 36 36 ARG HA H 36 4.640 4.876 -0.236 1
1 250 . 17 1 1 A 37 37 ARG H H 37 8.250 8.457 -0.207 1
1 251 . 17 1 1 A 37 37 ARG HA H 37 4.450 4.849 -0.399 1
1 259 . 17 1 1 A 38 38 ALA H H 38 8.960 8.068 0.892 1
1 260 . 17 1 1 A 38 38 ALA HA H 38 4.680 4.743 -0.063 1
1 264 . 17 1 1 A 39 39 SER H H 39 8.580 8.786 -0.206 1
1 265 . 17 1 1 A 39 39 SER HA H 39 4.200 4.192 0.008 1
1 268 . 17 1 1 A 40 40 SER H H 40 7.890 7.780 0.110 1
1 269 . 17 1 1 A 40 40 SER HA H 40 4.650 4.714 -0.064 1
1 272 . 17 1 1 A 41 41 ASP H H 41 8.350 8.598 -0.248 1
1 273 . 17 1 1 A 41 41 ASP HA H 41 4.470 4.649 -0.179 1
1 276 . 17 1 1 A 42 42 ASN H H 42 8.000 7.709 0.291 1
1 277 . 17 1 1 A 42 42 ASN HA H 42 4.680 5.086 -0.406 1
1 280 . 17 1 1 A 43 43 HIS H H 43 6.580 8.297 -1.717 1
1 281 . 17 1 1 A 43 43 HIS HA H 43 4.210 5.602 -1.392 1
1 286 . 17 1 1 A 44 44 SER H H 44 8.430 8.902 -0.472 1
1 287 . 17 1 1 A 44 44 SER HA H 44 4.010 4.501 -0.491 1
1 290 . 17 1 1 A 45 45 CYS H H 45 8.050 8.091 -0.041 1
1 291 . 17 1 1 A 45 45 CYS HA H 45 4.880 4.859 0.021 1
1 294 . 17 1 1 A 46 46 ALA H H 46 8.400 8.298 0.102 1
1 295 . 17 1 1 A 46 46 ALA HA H 46 2.370 3.600 -1.230 1
1 299 . 17 1 1 A 47 47 GLY H H 47 8.270 8.267 0.003 1
1 300 . 17 1 1 A 47 47 GLY HA2 H 47 3.730 3.918 -0.188 1
1 301 . 17 1 1 A 47 47 GLY HA3 H 47 3.790 3.922 -0.132 1
1 302 . 17 1 1 A 48 48 ASN H H 48 8.220 8.759 -0.539 1
1 303 . 17 1 1 A 48 48 ASN HA H 48 4.570 4.640 -0.070 1
1 306 . 17 1 1 A 49 49 ARG H H 49 7.600 7.624 -0.024 1
1 307 . 17 1 1 A 49 49 ARG HA H 49 4.600 4.478 0.122 1
1 315 . 17 1 1 A 50 50 GLY H H 50 8.120 7.428 0.692 1
1 316 . 17 1 1 A 50 50 GLY HA2 H 50 4.860 3.940 0.920 1
1 317 . 17 1 1 A 50 50 GLY HA3 H 50 3.410 4.022 -0.612 1
1 318 . 17 1 1 A 51 51 TRP H H 51 8.920 8.576 0.344 1
1 319 . 17 1 1 A 51 51 TRP HA H 51 4.470 5.391 -0.921 1
1 328 . 17 1 1 A 52 52 CYS H H 52 7.770 8.978 -1.208 1
1 329 . 17 1 1 A 52 52 CYS HA H 52 5.730 5.557 0.173 1
1 332 . 17 1 1 A 53 53 ARG H H 53 9.340 8.257 1.083 1
1 333 . 17 1 1 A 53 53 ARG HA H 53 4.460 4.498 -0.038 1
1 340 . 17 1 1 A 54 54 SER H H 54 8.320 8.357 -0.037 1
1 341 . 17 1 1 A 54 54 SER HA H 54 3.690 3.871 -0.181 1
1 344 . 17 1 1 A 55 55 LYS H H 55 6.760 7.564 -0.804 1
1 345 . 17 1 1 A 55 55 LYS HA H 55 4.290 4.867 -0.577 1
1 354 . 17 1 1 A 56 56 CYS H H 56 8.780 8.755 0.025 1
1 355 . 17 1 1 A 56 56 CYS HA H 56 4.690 5.133 -0.443 1
1 358 . 17 1 1 A 57 57 PHE H H 57 8.760 8.523 0.237 1
1 359 . 17 1 1 A 57 57 PHE HA H 57 4.910 4.863 0.047 1
1 367 . 17 1 1 A 58 58 ARG H H 58 8.590 9.176 -0.586 1
1 368 . 17 1 1 A 58 58 ARG HA H 58 4.080 4.096 -0.016 1
1 376 . 17 1 1 A 59 59 HIS H H 59 8.710 7.925 0.785 1
1 377 . 17 1 1 A 59 59 HIS HA H 59 4.790 4.605 0.185 1
1 382 . 17 1 1 A 60 60 GLU H H 60 7.750 7.802 -0.052 1
1 383 . 17 1 1 A 60 60 GLU HA H 60 5.220 5.055 0.165 1
1 388 . 17 1 1 A 61 61 TYR H H 61 9.180 8.913 0.267 1
1 389 . 17 1 1 A 61 61 TYR HA H 61 5.010 5.380 -0.370 1
1 396 . 17 1 1 A 62 62 VAL H H 62 8.490 8.676 -0.186 1
1 397 . 17 1 1 A 62 62 VAL HA H 62 4.020 4.382 -0.362 1
1 405 . 17 1 1 A 63 63 ASP H H 63 9.070 8.234 0.836 1
1 406 . 17 1 1 A 63 63 ASP HA H 63 5.140 4.784 0.356 1
1 409 . 17 1 1 A 64 64 THR H H 64 8.930 8.550 0.380 1
1 410 . 17 1 1 A 64 64 THR HA H 64 4.020 3.949 0.071 1
1 415 . 17 1 1 A 65 65 TYR H H 65 8.440 8.070 0.370 1
1 416 . 17 1 1 A 65 65 TYR HA H 65 4.330 4.207 0.123 1
1 423 . 17 1 1 A 66 66 TYR H H 66 8.010 8.205 -0.195 1
1 424 . 17 1 1 A 66 66 TYR HA H 66 4.280 4.417 -0.137 1
1 431 . 17 1 1 A 67 67 SER H H 67 7.770 8.488 -0.718 1
1 432 . 17 1 1 A 67 67 SER HA H 67 4.120 4.510 -0.390 1
1 435 . 17 1 1 A 68 68 ALA H H 68 8.010 7.762 0.248 1
1 436 . 17 1 1 A 68 68 ALA HA H 68 4.230 4.146 0.084 1
1 440 . 17 1 1 A 69 69 VAL H H 69 7.220 8.053 -0.833 1
1 441 . 17 1 1 A 69 69 VAL HA H 69 4.330 4.118 0.212 1
1 449 . 17 1 1 A 70 70 CYS H H 70 7.930 7.721 0.209 1
1 450 . 17 1 1 A 70 70 CYS HA H 70 4.680 4.421 0.259 1
1 453 . 17 1 1 A 71 71 GLY H H 71 7.540 7.636 -0.096 1
1 454 . 17 1 1 A 71 71 GLY HA2 H 71 3.420 4.040 -0.620 1
1 455 . 17 1 1 A 71 71 GLY HA3 H 71 4.030 4.067 -0.037 1
1 456 . 17 1 1 A 72 72 ARG H H 72 8.410 8.072 0.338 1
1 457 . 17 1 1 A 72 72 ARG HA H 72 4.170 3.935 0.235 1
1 465 . 17 1 1 A 73 73 TYR H H 73 7.500 7.602 -0.102 1
1 466 . 17 1 1 A 73 73 TYR HA H 73 4.470 4.431 0.039 1
1 473 . 17 1 1 A 74 74 PHE H H 74 8.540 8.523 0.017 1
1 474 . 17 1 1 A 74 74 PHE HA H 74 4.560 4.968 -0.408 1
1 482 . 17 1 1 A 75 75 CYS H H 75 9.110 9.079 0.031 1
1 483 . 17 1 1 A 75 75 CYS HA H 75 4.840 5.324 -0.484 1
1 486 . 17 1 1 A 76 76 CYS H H 76 8.730 8.524 0.206 1
1 487 . 17 1 1 A 76 76 CYS HA H 76 5.080 5.076 0.004 1
1 490 . 17 1 1 A 77 77 ARG H H 77 8.930 8.001 0.929 1
1 491 . 17 1 1 A 77 77 ARG HA H 77 4.770 4.822 -0.052 1
1 499 . 17 1 1 A 78 78 SER H H 78 8.770 8.944 -0.174 1
1 500 . 17 1 1 A 78 78 SER HA H 78 4.760 5.245 -0.485 1
1 1 . 18 1 1 A 2 2 PRO HA H 2 4.500 4.643 -0.143 1
1 8 . 18 1 1 A 3 3 LEU H H 3 8.160 8.422 -0.262 1
1 9 . 18 1 1 A 3 3 LEU HA H 3 4.350 4.807 -0.457 1
1 19 . 18 1 1 A 4 4 ILE H H 4 8.160 8.605 -0.445 1
1 20 . 18 1 1 A 4 4 ILE HA H 4 4.030 4.498 -0.468 1
1 30 . 18 1 1 A 5 5 PRO HA H 5 4.360 4.471 -0.111 1
1 37 . 18 1 1 A 6 6 ALA H H 6 8.320 8.332 -0.012 1
1 38 . 18 1 1 A 6 6 ALA HA H 6 4.000 3.995 0.005 1
1 42 . 18 1 1 A 7 7 ILE H H 7 7.720 7.794 -0.074 1
1 43 . 18 1 1 A 7 7 ILE HA H 7 3.880 3.746 0.134 1
1 53 . 18 1 1 A 8 8 TYR H H 8 7.530 7.777 -0.247 1
1 54 . 18 1 1 A 8 8 TYR HA H 8 4.230 4.433 -0.203 1
1 61 . 18 1 1 A 9 9 ILE H H 9 7.350 7.660 -0.310 1
1 62 . 18 1 1 A 9 9 ILE HA H 9 3.620 4.537 -0.917 1
1 72 . 18 1 1 A 10 10 GLY H H 10 8.200 8.786 -0.586 1
1 73 . 18 1 1 A 10 10 GLY HA2 H 10 4.000 3.911 0.089 1
1 74 . 18 1 1 A 10 10 GLY HA3 H 10 4.130 3.921 0.209 1
1 75 . 18 1 1 A 11 11 ALA H H 11 8.130 7.362 0.768 1
1 76 . 18 1 1 A 11 11 ALA HA H 11 4.400 4.954 -0.554 1
1 80 . 18 1 1 A 12 12 THR H H 12 8.130 8.675 -0.545 1
1 81 . 18 1 1 A 12 12 THR HA H 12 4.970 5.472 -0.502 1
1 86 . 18 1 1 A 13 13 VAL H H 13 8.690 8.478 0.212 1
1 87 . 18 1 1 A 13 13 VAL HA H 13 4.690 4.450 0.240 1
1 95 . 18 1 1 A 14 14 GLY H H 14 8.440 8.415 0.025 1
1 96 . 18 1 1 A 14 14 GLY HA2 H 14 4.360 4.081 0.279 1
1 97 . 18 1 1 A 14 14 GLY HA3 H 14 3.580 4.152 -0.572 1
1 98 . 18 1 1 A 15 15 PRO HA H 15 4.120 4.339 -0.219 1
1 105 . 18 1 1 A 16 16 SER H H 16 8.880 8.293 0.587 1
1 106 . 18 1 1 A 16 16 SER HA H 16 4.380 4.218 0.162 1
1 109 . 18 1 1 A 17 17 VAL H H 17 7.260 7.989 -0.729 1
1 110 . 18 1 1 A 17 17 VAL HA H 17 3.940 3.651 0.289 1
1 118 . 18 1 1 A 18 18 TRP H H 18 8.840 8.101 0.739 1
1 119 . 18 1 1 A 18 18 TRP HA H 18 3.810 4.090 -0.280 1
1 125 . 18 1 1 A 19 19 ALA H H 19 7.940 8.342 -0.402 1
1 126 . 18 1 1 A 19 19 ALA HA H 19 3.950 4.207 -0.257 1
1 130 . 18 1 1 A 20 20 TYR H H 20 7.500 7.837 -0.337 1
1 131 . 18 1 1 A 20 20 TYR HA H 20 4.260 4.143 0.117 1
1 138 . 18 1 1 A 21 21 LEU H H 21 8.100 8.000 0.100 1
1 139 . 18 1 1 A 21 21 LEU HA H 21 3.380 3.698 -0.318 1
1 149 . 18 1 1 A 22 22 VAL H H 22 8.390 7.880 0.510 1
1 150 . 18 1 1 A 22 22 VAL HA H 22 2.820 3.336 -0.516 1
1 158 . 18 1 1 A 23 23 ALA H H 23 7.530 7.975 -0.445 1
1 159 . 18 1 1 A 23 23 ALA HA H 23 3.980 3.918 0.062 1
1 163 . 18 1 1 A 24 24 LEU H H 24 7.510 7.431 0.079 1
1 164 . 18 1 1 A 24 24 LEU HA H 24 3.980 3.953 0.027 1
1 174 . 18 1 1 A 25 25 VAL H H 25 7.780 7.719 0.061 1
1 175 . 18 1 1 A 25 25 VAL HA H 25 4.550 4.350 0.200 1
1 183 . 18 1 1 A 26 26 GLY H H 26 7.790 7.278 0.512 1
1 184 . 18 1 1 A 26 26 GLY HA2 H 26 3.890 4.013 -0.123 1
1 185 . 18 1 1 A 26 26 GLY HA3 H 26 4.430 4.025 0.405 1
1 186 . 18 1 1 A 27 27 ALA H H 27 8.630 8.940 -0.310 1
1 187 . 18 1 1 A 27 27 ALA HA H 27 3.700 4.027 -0.327 1
1 191 . 18 1 1 A 28 28 ALA H H 28 8.490 7.924 0.566 1
1 192 . 18 1 1 A 28 28 ALA HA H 28 4.070 4.108 -0.038 1
1 196 . 18 1 1 A 29 29 ALA H H 29 8.220 8.068 0.152 1
1 197 . 18 1 1 A 29 29 ALA HA H 29 4.100 4.112 -0.012 1
1 201 . 18 1 1 A 30 30 VAL H H 30 7.230 7.585 -0.355 1
1 202 . 18 1 1 A 30 30 VAL HA H 30 3.280 3.515 -0.235 1
1 210 . 18 1 1 A 31 31 THR H H 31 8.100 7.731 0.369 1
1 211 . 18 1 1 A 31 31 THR HA H 31 4.150 4.304 -0.154 1
1 216 . 18 1 1 A 32 32 ALA H H 32 8.150 8.002 0.148 1
1 217 . 18 1 1 A 32 32 ALA HA H 32 4.220 4.183 0.037 1
1 221 . 18 1 1 A 33 33 ALA H H 33 7.240 7.456 -0.216 1
1 222 . 18 1 1 A 33 33 ALA HA H 33 4.470 4.364 0.106 1
1 226 . 18 1 1 A 34 34 ASN H H 34 8.240 7.846 0.394 1
1 227 . 18 1 1 A 34 34 ASN HA H 34 4.440 4.433 0.007 1
1 230 . 18 1 1 A 35 35 ILE H H 35 6.980 7.693 -0.713 1
1 231 . 18 1 1 A 35 35 ILE HA H 35 4.660 4.669 -0.009 1
1 241 . 18 1 1 A 36 36 ARG H H 36 8.830 8.935 -0.105 1
1 242 . 18 1 1 A 36 36 ARG HA H 36 4.640 4.832 -0.192 1
1 250 . 18 1 1 A 37 37 ARG H H 37 8.250 8.496 -0.246 1
1 251 . 18 1 1 A 37 37 ARG HA H 37 4.450 5.056 -0.606 1
1 259 . 18 1 1 A 38 38 ALA H H 38 8.960 8.137 0.823 1
1 260 . 18 1 1 A 38 38 ALA HA H 38 4.680 4.736 -0.056 1
1 264 . 18 1 1 A 39 39 SER H H 39 8.580 8.833 -0.253 1
1 265 . 18 1 1 A 39 39 SER HA H 39 4.200 4.241 -0.041 1
1 268 . 18 1 1 A 40 40 SER H H 40 7.890 7.749 0.141 1
1 269 . 18 1 1 A 40 40 SER HA H 40 4.650 4.720 -0.070 1
1 272 . 18 1 1 A 41 41 ASP H H 41 8.350 8.631 -0.281 1
1 273 . 18 1 1 A 41 41 ASP HA H 41 4.470 4.627 -0.157 1
1 276 . 18 1 1 A 42 42 ASN H H 42 8.000 7.749 0.251 1
1 277 . 18 1 1 A 42 42 ASN HA H 42 4.680 5.132 -0.452 1
1 280 . 18 1 1 A 43 43 HIS H H 43 6.580 8.323 -1.743 1
1 281 . 18 1 1 A 43 43 HIS HA H 43 4.210 5.602 -1.392 1
1 286 . 18 1 1 A 44 44 SER H H 44 8.430 8.446 -0.016 1
1 287 . 18 1 1 A 44 44 SER HA H 44 4.010 3.518 0.492 1
1 290 . 18 1 1 A 45 45 CYS H H 45 8.050 8.012 0.038 1
1 291 . 18 1 1 A 45 45 CYS HA H 45 4.880 4.855 0.025 1
1 294 . 18 1 1 A 46 46 ALA H H 46 8.400 8.204 0.196 1
1 295 . 18 1 1 A 46 46 ALA HA H 46 2.370 3.357 -0.987 1
1 299 . 18 1 1 A 47 47 GLY H H 47 8.270 8.264 0.006 1
1 300 . 18 1 1 A 47 47 GLY HA2 H 47 3.730 3.906 -0.176 1
1 301 . 18 1 1 A 47 47 GLY HA3 H 47 3.790 3.910 -0.120 1
1 302 . 18 1 1 A 48 48 ASN H H 48 8.220 8.672 -0.452 1
1 303 . 18 1 1 A 48 48 ASN HA H 48 4.570 4.768 -0.198 1
1 306 . 18 1 1 A 49 49 ARG H H 49 7.600 7.648 -0.048 1
1 307 . 18 1 1 A 49 49 ARG HA H 49 4.600 4.477 0.123 1
1 315 . 18 1 1 A 50 50 GLY H H 50 8.120 7.450 0.670 1
1 316 . 18 1 1 A 50 50 GLY HA2 H 50 4.860 3.958 0.902 1
1 317 . 18 1 1 A 50 50 GLY HA3 H 50 3.410 4.072 -0.662 1
1 318 . 18 1 1 A 51 51 TRP H H 51 8.920 8.314 0.606 1
1 319 . 18 1 1 A 51 51 TRP HA H 51 4.470 5.345 -0.875 1
1 328 . 18 1 1 A 52 52 CYS H H 52 7.770 8.978 -1.208 1
1 329 . 18 1 1 A 52 52 CYS HA H 52 5.730 5.555 0.175 1
1 332 . 18 1 1 A 53 53 ARG H H 53 9.340 8.402 0.938 1
1 333 . 18 1 1 A 53 53 ARG HA H 53 4.460 4.511 -0.051 1
1 340 . 18 1 1 A 54 54 SER H H 54 8.320 8.343 -0.023 1
1 341 . 18 1 1 A 54 54 SER HA H 54 3.690 4.321 -0.631 1
1 344 . 18 1 1 A 55 55 LYS H H 55 6.760 7.603 -0.843 1
1 345 . 18 1 1 A 55 55 LYS HA H 55 4.290 4.794 -0.504 1
1 354 . 18 1 1 A 56 56 CYS H H 56 8.780 8.415 0.365 1
1 355 . 18 1 1 A 56 56 CYS HA H 56 4.690 4.872 -0.182 1
1 358 . 18 1 1 A 57 57 PHE H H 57 8.760 8.615 0.145 1
1 359 . 18 1 1 A 57 57 PHE HA H 57 4.910 4.790 0.120 1
1 367 . 18 1 1 A 58 58 ARG H H 58 8.590 9.062 -0.472 1
1 368 . 18 1 1 A 58 58 ARG HA H 58 4.080 4.105 -0.025 1
1 376 . 18 1 1 A 59 59 HIS H H 59 8.710 7.898 0.812 1
1 377 . 18 1 1 A 59 59 HIS HA H 59 4.790 4.601 0.189 1
1 382 . 18 1 1 A 60 60 GLU H H 60 7.750 7.841 -0.091 1
1 383 . 18 1 1 A 60 60 GLU HA H 60 5.220 5.062 0.158 1
1 388 . 18 1 1 A 61 61 TYR H H 61 9.180 8.797 0.383 1
1 389 . 18 1 1 A 61 61 TYR HA H 61 5.010 5.415 -0.405 1
1 396 . 18 1 1 A 62 62 VAL H H 62 8.490 8.823 -0.333 1
1 397 . 18 1 1 A 62 62 VAL HA H 62 4.020 4.386 -0.366 1
1 405 . 18 1 1 A 63 63 ASP H H 63 9.070 8.107 0.963 1
1 406 . 18 1 1 A 63 63 ASP HA H 63 5.140 4.873 0.267 1
1 409 . 18 1 1 A 64 64 THR H H 64 8.930 8.686 0.244 1
1 410 . 18 1 1 A 64 64 THR HA H 64 4.020 3.983 0.037 1
1 415 . 18 1 1 A 65 65 TYR H H 65 8.440 8.183 0.257 1
1 416 . 18 1 1 A 65 65 TYR HA H 65 4.330 4.237 0.093 1
1 423 . 18 1 1 A 66 66 TYR H H 66 8.010 8.426 -0.416 1
1 424 . 18 1 1 A 66 66 TYR HA H 66 4.280 4.601 -0.321 1
1 431 . 18 1 1 A 67 67 SER H H 67 7.770 8.224 -0.454 1
1 432 . 18 1 1 A 67 67 SER HA H 67 4.120 4.306 -0.186 1
1 435 . 18 1 1 A 68 68 ALA H H 68 8.010 7.947 0.063 1
1 436 . 18 1 1 A 68 68 ALA HA H 68 4.230 4.221 0.009 1
1 440 . 18 1 1 A 69 69 VAL H H 69 7.220 8.266 -1.046 1
1 441 . 18 1 1 A 69 69 VAL HA H 69 4.330 3.848 0.482 1
1 449 . 18 1 1 A 70 70 CYS H H 70 7.930 7.757 0.173 1
1 450 . 18 1 1 A 70 70 CYS HA H 70 4.680 4.353 0.327 1
1 453 . 18 1 1 A 71 71 GLY H H 71 7.540 7.550 -0.010 1
1 454 . 18 1 1 A 71 71 GLY HA2 H 71 3.420 4.034 -0.614 1
1 455 . 18 1 1 A 71 71 GLY HA3 H 71 4.030 4.056 -0.026 1
1 456 . 18 1 1 A 72 72 ARG H H 72 8.410 8.731 -0.321 1
1 457 . 18 1 1 A 72 72 ARG HA H 72 4.170 3.825 0.345 1
1 465 . 18 1 1 A 73 73 TYR H H 73 7.500 7.465 0.035 1
1 466 . 18 1 1 A 73 73 TYR HA H 73 4.470 4.149 0.321 1
1 473 . 18 1 1 A 74 74 PHE H H 74 8.540 8.585 -0.045 1
1 474 . 18 1 1 A 74 74 PHE HA H 74 4.560 5.089 -0.529 1
1 482 . 18 1 1 A 75 75 CYS H H 75 9.110 8.973 0.137 1
1 483 . 18 1 1 A 75 75 CYS HA H 75 4.840 5.118 -0.278 1
1 486 . 18 1 1 A 76 76 CYS H H 76 8.730 8.458 0.272 1
1 487 . 18 1 1 A 76 76 CYS HA H 76 5.080 5.019 0.061 1
1 490 . 18 1 1 A 77 77 ARG H H 77 8.930 7.802 1.128 1
1 491 . 18 1 1 A 77 77 ARG HA H 77 4.770 4.823 -0.053 1
1 499 . 18 1 1 A 78 78 SER H H 78 8.770 8.617 0.153 1
1 500 . 18 1 1 A 78 78 SER HA H 78 4.760 5.174 -0.414 1
1 1 . 19 1 1 A 2 2 PRO HA H 2 4.500 4.734 -0.234 1
1 8 . 19 1 1 A 3 3 LEU H H 3 8.160 8.322 -0.162 1
1 9 . 19 1 1 A 3 3 LEU HA H 3 4.350 4.592 -0.242 1
1 19 . 19 1 1 A 4 4 ILE H H 4 8.160 7.554 0.606 1
1 20 . 19 1 1 A 4 4 ILE HA H 4 4.030 4.279 -0.249 1
1 30 . 19 1 1 A 5 5 PRO HA H 5 4.360 4.539 -0.179 1
1 37 . 19 1 1 A 6 6 ALA H H 6 8.320 8.397 -0.077 1
1 38 . 19 1 1 A 6 6 ALA HA H 6 4.000 4.007 -0.007 1
1 42 . 19 1 1 A 7 7 ILE H H 7 7.720 7.681 0.039 1
1 43 . 19 1 1 A 7 7 ILE HA H 7 3.880 3.689 0.191 1
1 53 . 19 1 1 A 8 8 TYR H H 8 7.530 7.509 0.021 1
1 54 . 19 1 1 A 8 8 TYR HA H 8 4.230 4.488 -0.258 1
1 61 . 19 1 1 A 9 9 ILE H H 9 7.350 7.632 -0.282 1
1 62 . 19 1 1 A 9 9 ILE HA H 9 3.620 4.607 -0.987 1
1 72 . 19 1 1 A 10 10 GLY H H 10 8.200 8.796 -0.596 1
1 73 . 19 1 1 A 10 10 GLY HA2 H 10 4.000 3.905 0.095 1
1 74 . 19 1 1 A 10 10 GLY HA3 H 10 4.130 3.916 0.214 1
1 75 . 19 1 1 A 11 11 ALA H H 11 8.130 7.388 0.742 1
1 76 . 19 1 1 A 11 11 ALA HA H 11 4.400 4.932 -0.532 1
1 80 . 19 1 1 A 12 12 THR H H 12 8.130 8.730 -0.600 1
1 81 . 19 1 1 A 12 12 THR HA H 12 4.970 5.232 -0.262 1
1 86 . 19 1 1 A 13 13 VAL H H 13 8.690 8.499 0.191 1
1 87 . 19 1 1 A 13 13 VAL HA H 13 4.690 4.499 0.191 1
1 95 . 19 1 1 A 14 14 GLY H H 14 8.440 8.393 0.047 1
1 96 . 19 1 1 A 14 14 GLY HA2 H 14 4.360 4.017 0.343 1
1 97 . 19 1 1 A 14 14 GLY HA3 H 14 3.580 4.093 -0.513 1
1 98 . 19 1 1 A 15 15 PRO HA H 15 4.120 4.463 -0.343 1
1 105 . 19 1 1 A 16 16 SER H H 16 8.880 8.295 0.585 1
1 106 . 19 1 1 A 16 16 SER HA H 16 4.380 4.230 0.150 1
1 109 . 19 1 1 A 17 17 VAL H H 17 7.260 8.016 -0.756 1
1 110 . 19 1 1 A 17 17 VAL HA H 17 3.940 3.604 0.336 1
1 118 . 19 1 1 A 18 18 TRP H H 18 8.840 8.025 0.815 1
1 119 . 19 1 1 A 18 18 TRP HA H 18 3.810 4.066 -0.256 1
1 125 . 19 1 1 A 19 19 ALA H H 19 7.940 8.125 -0.185 1
1 126 . 19 1 1 A 19 19 ALA HA H 19 3.950 3.724 0.226 1
1 130 . 19 1 1 A 20 20 TYR H H 20 7.500 7.792 -0.292 1
1 131 . 19 1 1 A 20 20 TYR HA H 20 4.260 4.156 0.104 1
1 138 . 19 1 1 A 21 21 LEU H H 21 8.100 7.836 0.264 1
1 139 . 19 1 1 A 21 21 LEU HA H 21 3.380 3.766 -0.386 1
1 149 . 19 1 1 A 22 22 VAL H H 22 8.390 7.868 0.522 1
1 150 . 19 1 1 A 22 22 VAL HA H 22 2.820 3.332 -0.512 1
1 158 . 19 1 1 A 23 23 ALA H H 23 7.530 7.866 -0.336 1
1 159 . 19 1 1 A 23 23 ALA HA H 23 3.980 3.859 0.121 1
1 163 . 19 1 1 A 24 24 LEU H H 24 7.510 7.484 0.026 1
1 164 . 19 1 1 A 24 24 LEU HA H 24 3.980 3.948 0.032 1
1 174 . 19 1 1 A 25 25 VAL H H 25 7.780 7.772 0.008 1
1 175 . 19 1 1 A 25 25 VAL HA H 25 4.550 4.320 0.230 1
1 183 . 19 1 1 A 26 26 GLY H H 26 7.790 7.336 0.454 1
1 184 . 19 1 1 A 26 26 GLY HA2 H 26 3.890 3.966 -0.076 1
1 185 . 19 1 1 A 26 26 GLY HA3 H 26 4.430 4.000 0.430 1
1 186 . 19 1 1 A 27 27 ALA H H 27 8.630 8.905 -0.275 1
1 187 . 19 1 1 A 27 27 ALA HA H 27 3.700 3.943 -0.243 1
1 191 . 19 1 1 A 28 28 ALA H H 28 8.490 7.959 0.531 1
1 192 . 19 1 1 A 28 28 ALA HA H 28 4.070 4.112 -0.042 1
1 196 . 19 1 1 A 29 29 ALA H H 29 8.220 8.093 0.127 1
1 197 . 19 1 1 A 29 29 ALA HA H 29 4.100 4.147 -0.047 1
1 201 . 19 1 1 A 30 30 VAL H H 30 7.230 7.698 -0.468 1
1 202 . 19 1 1 A 30 30 VAL HA H 30 3.280 3.746 -0.466 1
1 210 . 19 1 1 A 31 31 THR H H 31 8.100 7.614 0.486 1
1 211 . 19 1 1 A 31 31 THR HA H 31 4.150 4.367 -0.217 1
1 216 . 19 1 1 A 32 32 ALA H H 32 8.150 7.733 0.417 1
1 217 . 19 1 1 A 32 32 ALA HA H 32 4.220 4.223 -0.003 1
1 221 . 19 1 1 A 33 33 ALA H H 33 7.240 7.533 -0.293 1
1 222 . 19 1 1 A 33 33 ALA HA H 33 4.470 4.394 0.076 1
1 226 . 19 1 1 A 34 34 ASN H H 34 8.240 8.210 0.030 1
1 227 . 19 1 1 A 34 34 ASN HA H 34 4.440 4.419 0.021 1
1 230 . 19 1 1 A 35 35 ILE H H 35 6.980 7.730 -0.750 1
1 231 . 19 1 1 A 35 35 ILE HA H 35 4.660 4.648 0.012 1
1 241 . 19 1 1 A 36 36 ARG H H 36 8.830 8.809 0.021 1
1 242 . 19 1 1 A 36 36 ARG HA H 36 4.640 4.543 0.097 1
1 250 . 19 1 1 A 37 37 ARG H H 37 8.250 8.225 0.025 1
1 251 . 19 1 1 A 37 37 ARG HA H 37 4.450 5.155 -0.705 1
1 259 . 19 1 1 A 38 38 ALA H H 38 8.960 8.050 0.910 1
1 260 . 19 1 1 A 38 38 ALA HA H 38 4.680 4.731 -0.051 1
1 264 . 19 1 1 A 39 39 SER H H 39 8.580 8.589 -0.009 1
1 265 . 19 1 1 A 39 39 SER HA H 39 4.200 4.154 0.046 1
1 268 . 19 1 1 A 40 40 SER H H 40 7.890 7.801 0.089 1
1 269 . 19 1 1 A 40 40 SER HA H 40 4.650 4.664 -0.014 1
1 272 . 19 1 1 A 41 41 ASP H H 41 8.350 8.607 -0.257 1
1 273 . 19 1 1 A 41 41 ASP HA H 41 4.470 4.690 -0.220 1
1 276 . 19 1 1 A 42 42 ASN H H 42 8.000 7.636 0.364 1
1 277 . 19 1 1 A 42 42 ASN HA H 42 4.680 5.096 -0.416 1
1 280 . 19 1 1 A 43 43 HIS H H 43 6.580 8.302 -1.722 1
1 281 . 19 1 1 A 43 43 HIS HA H 43 4.210 5.589 -1.379 1
1 286 . 19 1 1 A 44 44 SER H H 44 8.430 8.572 -0.142 1
1 287 . 19 1 1 A 44 44 SER HA H 44 4.010 3.556 0.454 1
1 290 . 19 1 1 A 45 45 CYS H H 45 8.050 7.820 0.230 1
1 291 . 19 1 1 A 45 45 CYS HA H 45 4.880 4.909 -0.029 1
1 294 . 19 1 1 A 46 46 ALA H H 46 8.400 7.882 0.518 1
1 295 . 19 1 1 A 46 46 ALA HA H 46 2.370 3.181 -0.811 1
1 299 . 19 1 1 A 47 47 GLY H H 47 8.270 8.257 0.013 1
1 300 . 19 1 1 A 47 47 GLY HA2 H 47 3.730 3.881 -0.151 1
1 301 . 19 1 1 A 47 47 GLY HA3 H 47 3.790 3.882 -0.092 1
1 302 . 19 1 1 A 48 48 ASN H H 48 8.220 8.835 -0.615 1
1 303 . 19 1 1 A 48 48 ASN HA H 48 4.570 4.469 0.101 1
1 306 . 19 1 1 A 49 49 ARG H H 49 7.600 7.225 0.375 1
1 307 . 19 1 1 A 49 49 ARG HA H 49 4.600 4.471 0.129 1
1 315 . 19 1 1 A 50 50 GLY H H 50 8.120 7.419 0.701 1
1 316 . 19 1 1 A 50 50 GLY HA2 H 50 4.860 3.929 0.931 1
1 317 . 19 1 1 A 50 50 GLY HA3 H 50 3.410 4.033 -0.623 1
1 318 . 19 1 1 A 51 51 TRP H H 51 8.920 8.277 0.643 1
1 319 . 19 1 1 A 51 51 TRP HA H 51 4.470 5.398 -0.928 1
1 328 . 19 1 1 A 52 52 CYS H H 52 7.770 8.932 -1.162 1
1 329 . 19 1 1 A 52 52 CYS HA H 52 5.730 5.415 0.315 1
1 332 . 19 1 1 A 53 53 ARG H H 53 9.340 8.313 1.027 1
1 333 . 19 1 1 A 53 53 ARG HA H 53 4.460 4.539 -0.079 1
1 340 . 19 1 1 A 54 54 SER H H 54 8.320 8.390 -0.070 1
1 341 . 19 1 1 A 54 54 SER HA H 54 3.690 3.671 0.019 1
1 344 . 19 1 1 A 55 55 LYS H H 55 6.760 7.438 -0.678 1
1 345 . 19 1 1 A 55 55 LYS HA H 55 4.290 4.892 -0.602 1
1 354 . 19 1 1 A 56 56 CYS H H 56 8.780 8.860 -0.080 1
1 355 . 19 1 1 A 56 56 CYS HA H 56 4.690 4.889 -0.199 1
1 358 . 19 1 1 A 57 57 PHE H H 57 8.760 8.045 0.715 1
1 359 . 19 1 1 A 57 57 PHE HA H 57 4.910 4.777 0.133 1
1 367 . 19 1 1 A 58 58 ARG H H 58 8.590 9.176 -0.586 1
1 368 . 19 1 1 A 58 58 ARG HA H 58 4.080 4.057 0.023 1
1 376 . 19 1 1 A 59 59 HIS H H 59 8.710 8.049 0.661 1
1 377 . 19 1 1 A 59 59 HIS HA H 59 4.790 4.565 0.225 1
1 382 . 19 1 1 A 60 60 GLU H H 60 7.750 7.696 0.054 1
1 383 . 19 1 1 A 60 60 GLU HA H 60 5.220 5.023 0.197 1
1 388 . 19 1 1 A 61 61 TYR H H 61 9.180 8.719 0.461 1
1 389 . 19 1 1 A 61 61 TYR HA H 61 5.010 5.387 -0.377 1
1 396 . 19 1 1 A 62 62 VAL H H 62 8.490 8.809 -0.319 1
1 397 . 19 1 1 A 62 62 VAL HA H 62 4.020 4.402 -0.382 1
1 405 . 19 1 1 A 63 63 ASP H H 63 9.070 8.106 0.964 1
1 406 . 19 1 1 A 63 63 ASP HA H 63 5.140 4.841 0.299 1
1 409 . 19 1 1 A 64 64 THR H H 64 8.930 8.594 0.336 1
1 410 . 19 1 1 A 64 64 THR HA H 64 4.020 3.916 0.104 1
1 415 . 19 1 1 A 65 65 TYR H H 65 8.440 7.685 0.755 1
1 416 . 19 1 1 A 65 65 TYR HA H 65 4.330 4.234 0.096 1
1 423 . 19 1 1 A 66 66 TYR H H 66 8.010 8.416 -0.406 1
1 424 . 19 1 1 A 66 66 TYR HA H 66 4.280 4.494 -0.214 1
1 431 . 19 1 1 A 67 67 SER H H 67 7.770 8.119 -0.349 1
1 432 . 19 1 1 A 67 67 SER HA H 67 4.120 4.293 -0.173 1
1 435 . 19 1 1 A 68 68 ALA H H 68 8.010 7.781 0.229 1
1 436 . 19 1 1 A 68 68 ALA HA H 68 4.230 4.174 0.056 1
1 440 . 19 1 1 A 69 69 VAL H H 69 7.220 8.089 -0.869 1
1 441 . 19 1 1 A 69 69 VAL HA H 69 4.330 4.141 0.189 1
1 449 . 19 1 1 A 70 70 CYS H H 70 7.930 7.751 0.179 1
1 450 . 19 1 1 A 70 70 CYS HA H 70 4.680 4.161 0.519 1
1 453 . 19 1 1 A 71 71 GLY H H 71 7.540 7.673 -0.133 1
1 454 . 19 1 1 A 71 71 GLY HA2 H 71 3.420 4.029 -0.609 1
1 455 . 19 1 1 A 71 71 GLY HA3 H 71 4.030 4.069 -0.039 1
1 456 . 19 1 1 A 72 72 ARG H H 72 8.410 8.391 0.019 1
1 457 . 19 1 1 A 72 72 ARG HA H 72 4.170 4.036 0.134 1
1 465 . 19 1 1 A 73 73 TYR H H 73 7.500 7.535 -0.035 1
1 466 . 19 1 1 A 73 73 TYR HA H 73 4.470 4.027 0.443 1
1 473 . 19 1 1 A 74 74 PHE H H 74 8.540 8.468 0.072 1
1 474 . 19 1 1 A 74 74 PHE HA H 74 4.560 5.050 -0.490 1
1 482 . 19 1 1 A 75 75 CYS H H 75 9.110 8.907 0.203 1
1 483 . 19 1 1 A 75 75 CYS HA H 75 4.840 5.013 -0.173 1
1 486 . 19 1 1 A 76 76 CYS H H 76 8.730 8.301 0.429 1
1 487 . 19 1 1 A 76 76 CYS HA H 76 5.080 4.950 0.130 1
1 490 . 19 1 1 A 77 77 ARG H H 77 8.930 7.690 1.240 1
1 491 . 19 1 1 A 77 77 ARG HA H 77 4.770 4.899 -0.129 1
1 499 . 19 1 1 A 78 78 SER H H 78 8.770 8.742 0.028 1
1 500 . 19 1 1 A 78 78 SER HA H 78 4.760 5.387 -0.627 1
1 1 . 20 1 1 A 2 2 PRO HA H 2 4.500 4.749 -0.249 1
1 8 . 20 1 1 A 3 3 LEU H H 3 8.160 8.543 -0.383 1
1 9 . 20 1 1 A 3 3 LEU HA H 3 4.350 4.818 -0.468 1
1 19 . 20 1 1 A 4 4 ILE H H 4 8.160 8.582 -0.422 1
1 20 . 20 1 1 A 4 4 ILE HA H 4 4.030 4.331 -0.301 1
1 30 . 20 1 1 A 5 5 PRO HA H 5 4.360 4.575 -0.215 1
1 37 . 20 1 1 A 6 6 ALA H H 6 8.320 7.967 0.353 1
1 38 . 20 1 1 A 6 6 ALA HA H 6 4.000 4.232 -0.232 1
1 42 . 20 1 1 A 7 7 ILE H H 7 7.720 7.534 0.186 1
1 43 . 20 1 1 A 7 7 ILE HA H 7 3.880 3.407 0.473 1
1 53 . 20 1 1 A 8 8 TYR H H 8 7.530 7.584 -0.054 1
1 54 . 20 1 1 A 8 8 TYR HA H 8 4.230 4.428 -0.198 1
1 61 . 20 1 1 A 9 9 ILE H H 9 7.350 7.655 -0.305 1
1 62 . 20 1 1 A 9 9 ILE HA H 9 3.620 4.517 -0.897 1
1 72 . 20 1 1 A 10 10 GLY H H 10 8.200 8.759 -0.559 1
1 73 . 20 1 1 A 10 10 GLY HA2 H 10 4.000 3.925 0.075 1
1 74 . 20 1 1 A 10 10 GLY HA3 H 10 4.130 3.935 0.195 1
1 75 . 20 1 1 A 11 11 ALA H H 11 8.130 7.414 0.716 1
1 76 . 20 1 1 A 11 11 ALA HA H 11 4.400 4.952 -0.552 1
1 80 . 20 1 1 A 12 12 THR H H 12 8.130 8.746 -0.616 1
1 81 . 20 1 1 A 12 12 THR HA H 12 4.970 5.420 -0.450 1
1 86 . 20 1 1 A 13 13 VAL H H 13 8.690 8.578 0.112 1
1 87 . 20 1 1 A 13 13 VAL HA H 13 4.690 4.406 0.284 1
1 95 . 20 1 1 A 14 14 GLY H H 14 8.440 8.500 -0.060 1
1 96 . 20 1 1 A 14 14 GLY HA2 H 14 4.360 4.104 0.256 1
1 97 . 20 1 1 A 14 14 GLY HA3 H 14 3.580 4.184 -0.604 1
1 98 . 20 1 1 A 15 15 PRO HA H 15 4.120 4.372 -0.252 1
1 105 . 20 1 1 A 16 16 SER H H 16 8.880 8.119 0.761 1
1 106 . 20 1 1 A 16 16 SER HA H 16 4.380 4.276 0.104 1
1 109 . 20 1 1 A 17 17 VAL H H 17 7.260 7.998 -0.738 1
1 110 . 20 1 1 A 17 17 VAL HA H 17 3.940 3.563 0.377 1
1 118 . 20 1 1 A 18 18 TRP H H 18 8.840 8.111 0.729 1
1 119 . 20 1 1 A 18 18 TRP HA H 18 3.810 4.110 -0.300 1
1 125 . 20 1 1 A 19 19 ALA H H 19 7.940 8.268 -0.328 1
1 126 . 20 1 1 A 19 19 ALA HA H 19 3.950 4.069 -0.119 1
1 130 . 20 1 1 A 20 20 TYR H H 20 7.500 7.904 -0.404 1
1 131 . 20 1 1 A 20 20 TYR HA H 20 4.260 4.073 0.187 1
1 138 . 20 1 1 A 21 21 LEU H H 21 8.100 7.941 0.159 1
1 139 . 20 1 1 A 21 21 LEU HA H 21 3.380 3.740 -0.360 1
1 149 . 20 1 1 A 22 22 VAL H H 22 8.390 7.726 0.664 1
1 150 . 20 1 1 A 22 22 VAL HA H 22 2.820 3.293 -0.473 1
1 158 . 20 1 1 A 23 23 ALA H H 23 7.530 7.834 -0.304 1
1 159 . 20 1 1 A 23 23 ALA HA H 23 3.980 3.877 0.103 1
1 163 . 20 1 1 A 24 24 LEU H H 24 7.510 7.381 0.129 1
1 164 . 20 1 1 A 24 24 LEU HA H 24 3.980 3.979 0.001 1
1 174 . 20 1 1 A 25 25 VAL H H 25 7.780 7.733 0.047 1
1 175 . 20 1 1 A 25 25 VAL HA H 25 4.550 4.298 0.252 1
1 183 . 20 1 1 A 26 26 GLY H H 26 7.790 7.291 0.499 1
1 184 . 20 1 1 A 26 26 GLY HA2 H 26 3.890 3.986 -0.096 1
1 185 . 20 1 1 A 26 26 GLY HA3 H 26 4.430 4.009 0.421 1
1 186 . 20 1 1 A 27 27 ALA H H 27 8.630 8.923 -0.293 1
1 187 . 20 1 1 A 27 27 ALA HA H 27 3.700 3.969 -0.269 1
1 191 . 20 1 1 A 28 28 ALA H H 28 8.490 7.927 0.563 1
1 192 . 20 1 1 A 28 28 ALA HA H 28 4.070 4.106 -0.036 1
1 196 . 20 1 1 A 29 29 ALA H H 29 8.220 8.052 0.168 1
1 197 . 20 1 1 A 29 29 ALA HA H 29 4.100 4.095 0.005 1
1 201 . 20 1 1 A 30 30 VAL H H 30 7.230 7.568 -0.338 1
1 202 . 20 1 1 A 30 30 VAL HA H 30 3.280 3.619 -0.339 1
1 210 . 20 1 1 A 31 31 THR H H 31 8.100 7.516 0.584 1
1 211 . 20 1 1 A 31 31 THR HA H 31 4.150 4.441 -0.291 1
1 216 . 20 1 1 A 32 32 ALA H H 32 8.150 7.609 0.541 1
1 217 . 20 1 1 A 32 32 ALA HA H 32 4.220 4.257 -0.037 1
1 221 . 20 1 1 A 33 33 ALA H H 33 7.240 7.541 -0.301 1
1 222 . 20 1 1 A 33 33 ALA HA H 33 4.470 4.383 0.087 1
1 226 . 20 1 1 A 34 34 ASN H H 34 8.240 8.214 0.026 1
1 227 . 20 1 1 A 34 34 ASN HA H 34 4.440 4.444 -0.004 1
1 230 . 20 1 1 A 35 35 ILE H H 35 6.980 7.794 -0.814 1
1 231 . 20 1 1 A 35 35 ILE HA H 35 4.660 4.715 -0.055 1
1 241 . 20 1 1 A 36 36 ARG H H 36 8.830 8.850 -0.020 1
1 242 . 20 1 1 A 36 36 ARG HA H 36 4.640 4.774 -0.134 1
1 250 . 20 1 1 A 37 37 ARG H H 37 8.250 8.320 -0.070 1
1 251 . 20 1 1 A 37 37 ARG HA H 37 4.450 5.100 -0.650 1
1 259 . 20 1 1 A 38 38 ALA H H 38 8.960 8.103 0.857 1
1 260 . 20 1 1 A 38 38 ALA HA H 38 4.680 4.721 -0.041 1
1 264 . 20 1 1 A 39 39 SER H H 39 8.580 8.691 -0.111 1
1 265 . 20 1 1 A 39 39 SER HA H 39 4.200 4.276 -0.076 1
1 268 . 20 1 1 A 40 40 SER H H 40 7.890 7.791 0.099 1
1 269 . 20 1 1 A 40 40 SER HA H 40 4.650 4.769 -0.119 1
1 272 . 20 1 1 A 41 41 ASP H H 41 8.350 8.692 -0.342 1
1 273 . 20 1 1 A 41 41 ASP HA H 41 4.470 4.583 -0.113 1
1 276 . 20 1 1 A 42 42 ASN H H 42 8.000 7.911 0.089 1
1 277 . 20 1 1 A 42 42 ASN HA H 42 4.680 5.048 -0.368 1
1 280 . 20 1 1 A 43 43 HIS H H 43 6.580 8.351 -1.771 1
1 281 . 20 1 1 A 43 43 HIS HA H 43 4.210 5.580 -1.370 1
1 286 . 20 1 1 A 44 44 SER H H 44 8.430 8.409 0.021 1
1 287 . 20 1 1 A 44 44 SER HA H 44 4.010 3.141 0.869 1
1 290 . 20 1 1 A 45 45 CYS H H 45 8.050 7.915 0.135 1
1 291 . 20 1 1 A 45 45 CYS HA H 45 4.880 4.933 -0.053 1
1 294 . 20 1 1 A 46 46 ALA H H 46 8.400 8.288 0.112 1
1 295 . 20 1 1 A 46 46 ALA HA H 46 2.370 3.316 -0.946 1
1 299 . 20 1 1 A 47 47 GLY H H 47 8.270 8.292 -0.022 1
1 300 . 20 1 1 A 47 47 GLY HA2 H 47 3.730 3.900 -0.170 1
1 301 . 20 1 1 A 47 47 GLY HA3 H 47 3.790 3.909 -0.119 1
1 302 . 20 1 1 A 48 48 ASN H H 48 8.220 8.892 -0.672 1
1 303 . 20 1 1 A 48 48 ASN HA H 48 4.570 4.562 0.008 1
1 306 . 20 1 1 A 49 49 ARG H H 49 7.600 7.289 0.311 1
1 307 . 20 1 1 A 49 49 ARG HA H 49 4.600 4.485 0.115 1
1 315 . 20 1 1 A 50 50 GLY H H 50 8.120 7.517 0.603 1
1 316 . 20 1 1 A 50 50 GLY HA2 H 50 4.860 3.976 0.884 1
1 317 . 20 1 1 A 50 50 GLY HA3 H 50 3.410 4.100 -0.690 1
1 318 . 20 1 1 A 51 51 TRP H H 51 8.920 8.325 0.595 1
1 319 . 20 1 1 A 51 51 TRP HA H 51 4.470 5.393 -0.923 1
1 328 . 20 1 1 A 52 52 CYS H H 52 7.770 8.950 -1.180 1
1 329 . 20 1 1 A 52 52 CYS HA H 52 5.730 5.663 0.067 1
1 332 . 20 1 1 A 53 53 ARG H H 53 9.340 8.339 1.001 1
1 333 . 20 1 1 A 53 53 ARG HA H 53 4.460 4.501 -0.041 1
1 340 . 20 1 1 A 54 54 SER H H 54 8.320 8.554 -0.234 1
1 341 . 20 1 1 A 54 54 SER HA H 54 3.690 4.614 -0.924 1
1 344 . 20 1 1 A 55 55 LYS H H 55 6.760 7.548 -0.788 1
1 345 . 20 1 1 A 55 55 LYS HA H 55 4.290 4.604 -0.314 1
1 354 . 20 1 1 A 56 56 CYS H H 56 8.780 8.622 0.158 1
1 355 . 20 1 1 A 56 56 CYS HA H 56 4.690 5.057 -0.367 1
1 358 . 20 1 1 A 57 57 PHE H H 57 8.760 8.439 0.321 1
1 359 . 20 1 1 A 57 57 PHE HA H 57 4.910 4.723 0.187 1
1 367 . 20 1 1 A 58 58 ARG H H 58 8.590 9.027 -0.437 1
1 368 . 20 1 1 A 58 58 ARG HA H 58 4.080 4.092 -0.012 1
1 376 . 20 1 1 A 59 59 HIS H H 59 8.710 7.789 0.921 1
1 377 . 20 1 1 A 59 59 HIS HA H 59 4.790 4.614 0.176 1
1 382 . 20 1 1 A 60 60 GLU H H 60 7.750 7.484 0.266 1
1 383 . 20 1 1 A 60 60 GLU HA H 60 5.220 5.079 0.141 1
1 388 . 20 1 1 A 61 61 TYR H H 61 9.180 8.743 0.437 1
1 389 . 20 1 1 A 61 61 TYR HA H 61 5.010 5.362 -0.352 1
1 396 . 20 1 1 A 62 62 VAL H H 62 8.490 8.749 -0.259 1
1 397 . 20 1 1 A 62 62 VAL HA H 62 4.020 4.403 -0.383 1
1 405 . 20 1 1 A 63 63 ASP H H 63 9.070 8.100 0.970 1
1 406 . 20 1 1 A 63 63 ASP HA H 63 5.140 4.842 0.298 1
1 409 . 20 1 1 A 64 64 THR H H 64 8.930 8.669 0.261 1
1 410 . 20 1 1 A 64 64 THR HA H 64 4.020 4.038 -0.018 1
1 415 . 20 1 1 A 65 65 TYR H H 65 8.440 8.187 0.253 1
1 416 . 20 1 1 A 65 65 TYR HA H 65 4.330 4.242 0.088 1
1 423 . 20 1 1 A 66 66 TYR H H 66 8.010 8.416 -0.406 1
1 424 . 20 1 1 A 66 66 TYR HA H 66 4.280 4.444 -0.164 1
1 431 . 20 1 1 A 67 67 SER H H 67 7.770 8.244 -0.474 1
1 432 . 20 1 1 A 67 67 SER HA H 67 4.120 4.205 -0.085 1
1 435 . 20 1 1 A 68 68 ALA H H 68 8.010 7.854 0.156 1
1 436 . 20 1 1 A 68 68 ALA HA H 68 4.230 4.122 0.108 1
1 440 . 20 1 1 A 69 69 VAL H H 69 7.220 8.065 -0.845 1
1 441 . 20 1 1 A 69 69 VAL HA H 69 4.330 4.070 0.260 1
1 449 . 20 1 1 A 70 70 CYS H H 70 7.930 7.715 0.215 1
1 450 . 20 1 1 A 70 70 CYS HA H 70 4.680 4.088 0.592 1
1 453 . 20 1 1 A 71 71 GLY H H 71 7.540 7.597 -0.057 1
1 454 . 20 1 1 A 71 71 GLY HA2 H 71 3.420 4.002 -0.582 1
1 455 . 20 1 1 A 71 71 GLY HA3 H 71 4.030 4.012 0.018 1
1 456 . 20 1 1 A 72 72 ARG H H 72 8.410 8.189 0.221 1
1 457 . 20 1 1 A 72 72 ARG HA H 72 4.170 3.808 0.362 1
1 465 . 20 1 1 A 73 73 TYR H H 73 7.500 7.601 -0.101 1
1 466 . 20 1 1 A 73 73 TYR HA H 73 4.470 4.463 0.007 1
1 473 . 20 1 1 A 74 74 PHE H H 74 8.540 8.720 -0.180 1
1 474 . 20 1 1 A 74 74 PHE HA H 74 4.560 5.069 -0.509 1
1 482 . 20 1 1 A 75 75 CYS H H 75 9.110 8.935 0.175 1
1 483 . 20 1 1 A 75 75 CYS HA H 75 4.840 5.216 -0.376 1
1 486 . 20 1 1 A 76 76 CYS H H 76 8.730 8.385 0.345 1
1 487 . 20 1 1 A 76 76 CYS HA H 76 5.080 5.014 0.066 1
1 490 . 20 1 1 A 77 77 ARG H H 77 8.930 7.841 1.089 1
1 491 . 20 1 1 A 77 77 ARG HA H 77 4.770 4.905 -0.135 1
1 499 . 20 1 1 A 78 78 SER H H 78 8.770 8.926 -0.156 1
1 500 . 20 1 1 A 78 78 SER HA H 78 4.760 5.248 -0.488 1
1 1 . 21 1 1 A 2 2 PRO HA H 2 4.500 4.745 -0.245 1
1 8 . 21 1 1 A 3 3 LEU H H 3 8.160 7.892 0.268 1
1 9 . 21 1 1 A 3 3 LEU HA H 3 4.350 4.310 0.040 1
1 19 . 21 1 1 A 4 4 ILE H H 4 8.160 8.445 -0.285 1
1 20 . 21 1 1 A 4 4 ILE HA H 4 4.030 4.187 -0.157 1
1 30 . 21 1 1 A 5 5 PRO HA H 5 4.360 4.529 -0.169 1
1 37 . 21 1 1 A 6 6 ALA H H 6 8.320 8.402 -0.082 1
1 38 . 21 1 1 A 6 6 ALA HA H 6 4.000 3.981 0.019 1
1 42 . 21 1 1 A 7 7 ILE H H 7 7.720 7.548 0.172 1
1 43 . 21 1 1 A 7 7 ILE HA H 7 3.880 3.429 0.451 1
1 53 . 21 1 1 A 8 8 TYR H H 8 7.530 7.530 0.000 1
1 54 . 21 1 1 A 8 8 TYR HA H 8 4.230 4.457 -0.227 1
1 61 . 21 1 1 A 9 9 ILE H H 9 7.350 7.624 -0.274 1
1 62 . 21 1 1 A 9 9 ILE HA H 9 3.620 4.540 -0.920 1
1 72 . 21 1 1 A 10 10 GLY H H 10 8.200 8.738 -0.538 1
1 73 . 21 1 1 A 10 10 GLY HA2 H 10 4.000 3.931 0.069 1
1 74 . 21 1 1 A 10 10 GLY HA3 H 10 4.130 3.938 0.192 1
1 75 . 21 1 1 A 11 11 ALA H H 11 8.130 7.517 0.613 1
1 76 . 21 1 1 A 11 11 ALA HA H 11 4.400 4.934 -0.534 1
1 80 . 21 1 1 A 12 12 THR H H 12 8.130 8.767 -0.637 1
1 81 . 21 1 1 A 12 12 THR HA H 12 4.970 5.454 -0.484 1
1 86 . 21 1 1 A 13 13 VAL H H 13 8.690 8.583 0.107 1
1 87 . 21 1 1 A 13 13 VAL HA H 13 4.690 4.479 0.211 1
1 95 . 21 1 1 A 14 14 GLY H H 14 8.440 8.503 -0.063 1
1 96 . 21 1 1 A 14 14 GLY HA2 H 14 4.360 4.115 0.245 1
1 97 . 21 1 1 A 14 14 GLY HA3 H 14 3.580 4.188 -0.608 1
1 98 . 21 1 1 A 15 15 PRO HA H 15 4.120 4.364 -0.244 1
1 105 . 21 1 1 A 16 16 SER H H 16 8.880 8.182 0.698 1
1 106 . 21 1 1 A 16 16 SER HA H 16 4.380 4.276 0.104 1
1 109 . 21 1 1 A 17 17 VAL H H 17 7.260 8.162 -0.902 1
1 110 . 21 1 1 A 17 17 VAL HA H 17 3.940 3.547 0.393 1
1 118 . 21 1 1 A 18 18 TRP H H 18 8.840 7.946 0.894 1
1 119 . 21 1 1 A 18 18 TRP HA H 18 3.810 4.064 -0.254 1
1 125 . 21 1 1 A 19 19 ALA H H 19 7.940 8.222 -0.282 1
1 126 . 21 1 1 A 19 19 ALA HA H 19 3.950 4.106 -0.156 1
1 130 . 21 1 1 A 20 20 TYR H H 20 7.500 7.710 -0.210 1
1 131 . 21 1 1 A 20 20 TYR HA H 20 4.260 4.137 0.123 1
1 138 . 21 1 1 A 21 21 LEU H H 21 8.100 8.084 0.016 1
1 139 . 21 1 1 A 21 21 LEU HA H 21 3.380 3.792 -0.412 1
1 149 . 21 1 1 A 22 22 VAL H H 22 8.390 7.808 0.582 1
1 150 . 21 1 1 A 22 22 VAL HA H 22 2.820 3.349 -0.529 1
1 158 . 21 1 1 A 23 23 ALA H H 23 7.530 7.897 -0.367 1
1 159 . 21 1 1 A 23 23 ALA HA H 23 3.980 3.845 0.135 1
1 163 . 21 1 1 A 24 24 LEU H H 24 7.510 7.413 0.097 1
1 164 . 21 1 1 A 24 24 LEU HA H 24 3.980 3.926 0.054 1
1 174 . 21 1 1 A 25 25 VAL H H 25 7.780 7.777 0.003 1
1 175 . 21 1 1 A 25 25 VAL HA H 25 4.550 4.319 0.231 1
1 183 . 21 1 1 A 26 26 GLY H H 26 7.790 7.293 0.497 1
1 184 . 21 1 1 A 26 26 GLY HA2 H 26 3.890 3.986 -0.096 1
1 185 . 21 1 1 A 26 26 GLY HA3 H 26 4.430 4.008 0.422 1
1 186 . 21 1 1 A 27 27 ALA H H 27 8.630 8.927 -0.297 1
1 187 . 21 1 1 A 27 27 ALA HA H 27 3.700 4.000 -0.300 1
1 191 . 21 1 1 A 28 28 ALA H H 28 8.490 7.882 0.608 1
1 192 . 21 1 1 A 28 28 ALA HA H 28 4.070 4.101 -0.031 1
1 196 . 21 1 1 A 29 29 ALA H H 29 8.220 8.070 0.150 1
1 197 . 21 1 1 A 29 29 ALA HA H 29 4.100 4.118 -0.018 1
1 201 . 21 1 1 A 30 30 VAL H H 30 7.230 7.547 -0.317 1
1 202 . 21 1 1 A 30 30 VAL HA H 30 3.280 3.601 -0.321 1
1 210 . 21 1 1 A 31 31 THR H H 31 8.100 7.548 0.552 1
1 211 . 21 1 1 A 31 31 THR HA H 31 4.150 4.422 -0.272 1
1 216 . 21 1 1 A 32 32 ALA H H 32 8.150 7.763 0.387 1
1 217 . 21 1 1 A 32 32 ALA HA H 32 4.220 4.220 0.000 1
1 221 . 21 1 1 A 33 33 ALA H H 33 7.240 7.486 -0.246 1
1 222 . 21 1 1 A 33 33 ALA HA H 33 4.470 4.377 0.093 1
1 226 . 21 1 1 A 34 34 ASN H H 34 8.240 8.202 0.038 1
1 227 . 21 1 1 A 34 34 ASN HA H 34 4.440 4.448 -0.008 1
1 230 . 21 1 1 A 35 35 ILE H H 35 6.980 7.793 -0.813 1
1 231 . 21 1 1 A 35 35 ILE HA H 35 4.660 4.727 -0.067 1
1 241 . 21 1 1 A 36 36 ARG H H 36 8.830 8.903 -0.073 1
1 242 . 21 1 1 A 36 36 ARG HA H 36 4.640 4.853 -0.213 1
1 250 . 21 1 1 A 37 37 ARG H H 37 8.250 8.379 -0.129 1
1 251 . 21 1 1 A 37 37 ARG HA H 37 4.450 5.254 -0.804 1
1 259 . 21 1 1 A 38 38 ALA H H 38 8.960 8.167 0.793 1
1 260 . 21 1 1 A 38 38 ALA HA H 38 4.680 4.648 0.032 1
1 264 . 21 1 1 A 39 39 SER H H 39 8.580 8.852 -0.272 1
1 265 . 21 1 1 A 39 39 SER HA H 39 4.200 4.241 -0.041 1
1 268 . 21 1 1 A 40 40 SER H H 40 7.890 7.887 0.003 1
1 269 . 21 1 1 A 40 40 SER HA H 40 4.650 4.769 -0.119 1
1 272 . 21 1 1 A 41 41 ASP H H 41 8.350 8.803 -0.453 1
1 273 . 21 1 1 A 41 41 ASP HA H 41 4.470 4.733 -0.263 1
1 276 . 21 1 1 A 42 42 ASN H H 42 8.000 7.818 0.182 1
1 277 . 21 1 1 A 42 42 ASN HA H 42 4.680 4.910 -0.230 1
1 280 . 21 1 1 A 43 43 HIS H H 43 6.580 8.338 -1.758 1
1 281 . 21 1 1 A 43 43 HIS HA H 43 4.210 5.594 -1.384 1
1 286 . 21 1 1 A 44 44 SER H H 44 8.430 8.502 -0.072 1
1 287 . 21 1 1 A 44 44 SER HA H 44 4.010 3.606 0.404 1
1 290 . 21 1 1 A 45 45 CYS H H 45 8.050 8.077 -0.027 1
1 291 . 21 1 1 A 45 45 CYS HA H 45 4.880 4.912 -0.032 1
1 294 . 21 1 1 A 46 46 ALA H H 46 8.400 7.940 0.460 1
1 295 . 21 1 1 A 46 46 ALA HA H 46 2.370 3.318 -0.948 1
1 299 . 21 1 1 A 47 47 GLY H H 47 8.270 8.316 -0.046 1
1 300 . 21 1 1 A 47 47 GLY HA2 H 47 3.730 3.904 -0.174 1
1 301 . 21 1 1 A 47 47 GLY HA3 H 47 3.790 3.904 -0.114 1
1 302 . 21 1 1 A 48 48 ASN H H 48 8.220 8.624 -0.404 1
1 303 . 21 1 1 A 48 48 ASN HA H 48 4.570 4.715 -0.145 1
1 306 . 21 1 1 A 49 49 ARG H H 49 7.600 7.222 0.378 1
1 307 . 21 1 1 A 49 49 ARG HA H 49 4.600 4.475 0.125 1
1 315 . 21 1 1 A 50 50 GLY H H 50 8.120 7.529 0.591 1
1 316 . 21 1 1 A 50 50 GLY HA2 H 50 4.860 3.958 0.902 1
1 317 . 21 1 1 A 50 50 GLY HA3 H 50 3.410 4.074 -0.664 1
1 318 . 21 1 1 A 51 51 TRP H H 51 8.920 8.350 0.570 1
1 319 . 21 1 1 A 51 51 TRP HA H 51 4.470 5.344 -0.874 1
1 328 . 21 1 1 A 52 52 CYS H H 52 7.770 8.781 -1.011 1
1 329 . 21 1 1 A 52 52 CYS HA H 52 5.730 5.531 0.199 1
1 332 . 21 1 1 A 53 53 ARG H H 53 9.340 8.586 0.754 1
1 333 . 21 1 1 A 53 53 ARG HA H 53 4.460 4.313 0.147 1
1 340 . 21 1 1 A 54 54 SER H H 54 8.320 8.383 -0.063 1
1 341 . 21 1 1 A 54 54 SER HA H 54 3.690 3.828 -0.138 1
1 344 . 21 1 1 A 55 55 LYS H H 55 6.760 7.489 -0.729 1
1 345 . 21 1 1 A 55 55 LYS HA H 55 4.290 4.804 -0.514 1
1 354 . 21 1 1 A 56 56 CYS H H 56 8.780 8.620 0.160 1
1 355 . 21 1 1 A 56 56 CYS HA H 56 4.690 4.754 -0.064 1
1 358 . 21 1 1 A 57 57 PHE H H 57 8.760 8.413 0.347 1
1 359 . 21 1 1 A 57 57 PHE HA H 57 4.910 4.724 0.186 1
1 367 . 21 1 1 A 58 58 ARG H H 58 8.590 9.035 -0.445 1
1 368 . 21 1 1 A 58 58 ARG HA H 58 4.080 4.069 0.011 1
1 376 . 21 1 1 A 59 59 HIS H H 59 8.710 7.853 0.857 1
1 377 . 21 1 1 A 59 59 HIS HA H 59 4.790 4.618 0.172 1
1 382 . 21 1 1 A 60 60 GLU H H 60 7.750 7.595 0.155 1
1 383 . 21 1 1 A 60 60 GLU HA H 60 5.220 5.074 0.146 1
1 388 . 21 1 1 A 61 61 TYR H H 61 9.180 8.738 0.442 1
1 389 . 21 1 1 A 61 61 TYR HA H 61 5.010 5.457 -0.447 1
1 396 . 21 1 1 A 62 62 VAL H H 62 8.490 8.815 -0.325 1
1 397 . 21 1 1 A 62 62 VAL HA H 62 4.020 4.401 -0.381 1
1 405 . 21 1 1 A 63 63 ASP H H 63 9.070 8.154 0.916 1
1 406 . 21 1 1 A 63 63 ASP HA H 63 5.140 4.913 0.227 1
1 409 . 21 1 1 A 64 64 THR H H 64 8.930 8.645 0.285 1
1 410 . 21 1 1 A 64 64 THR HA H 64 4.020 3.932 0.088 1
1 415 . 21 1 1 A 65 65 TYR H H 65 8.440 8.167 0.273 1
1 416 . 21 1 1 A 65 65 TYR HA H 65 4.330 4.260 0.070 1
1 423 . 21 1 1 A 66 66 TYR H H 66 8.010 8.484 -0.474 1
1 424 . 21 1 1 A 66 66 TYR HA H 66 4.280 4.450 -0.170 1
1 431 . 21 1 1 A 67 67 SER H H 67 7.770 8.123 -0.353 1
1 432 . 21 1 1 A 67 67 SER HA H 67 4.120 4.394 -0.274 1
1 435 . 21 1 1 A 68 68 ALA H H 68 8.010 7.926 0.084 1
1 436 . 21 1 1 A 68 68 ALA HA H 68 4.230 4.195 0.035 1
1 440 . 21 1 1 A 69 69 VAL H H 69 7.220 7.891 -0.671 1
1 441 . 21 1 1 A 69 69 VAL HA H 69 4.330 4.157 0.173 1
1 449 . 21 1 1 A 70 70 CYS H H 70 7.930 7.708 0.222 1
1 450 . 21 1 1 A 70 70 CYS HA H 70 4.680 4.303 0.377 1
1 453 . 21 1 1 A 71 71 GLY H H 71 7.540 7.798 -0.258 1
1 454 . 21 1 1 A 71 71 GLY HA2 H 71 3.420 3.993 -0.573 1
1 455 . 21 1 1 A 71 71 GLY HA3 H 71 4.030 4.008 0.022 1
1 456 . 21 1 1 A 72 72 ARG H H 72 8.410 8.294 0.116 1
1 457 . 21 1 1 A 72 72 ARG HA H 72 4.170 4.002 0.168 1
1 465 . 21 1 1 A 73 73 TYR H H 73 7.500 7.567 -0.067 1
1 466 . 21 1 1 A 73 73 TYR HA H 73 4.470 4.432 0.038 1
1 473 . 21 1 1 A 74 74 PHE H H 74 8.540 8.069 0.471 1
1 474 . 21 1 1 A 74 74 PHE HA H 74 4.560 5.062 -0.502 1
1 482 . 21 1 1 A 75 75 CYS H H 75 9.110 8.906 0.204 1
1 483 . 21 1 1 A 75 75 CYS HA H 75 4.840 5.140 -0.300 1
1 486 . 21 1 1 A 76 76 CYS H H 76 8.730 8.444 0.286 1
1 487 . 21 1 1 A 76 76 CYS HA H 76 5.080 5.058 0.022 1
1 490 . 21 1 1 A 77 77 ARG H H 77 8.930 7.862 1.068 1
1 491 . 21 1 1 A 77 77 ARG HA H 77 4.770 4.899 -0.129 1
1 499 . 21 1 1 A 78 78 SER H H 78 8.770 8.851 -0.081 1
1 500 . 21 1 1 A 78 78 SER HA H 78 4.760 5.096 -0.336 1
1 1 . 22 1 1 A 2 2 PRO HA H 2 4.500 4.643 -0.143 1
1 8 . 22 1 1 A 3 3 LEU H H 3 8.160 8.191 -0.031 1
1 9 . 22 1 1 A 3 3 LEU HA H 3 4.350 4.760 -0.410 1
1 19 . 22 1 1 A 4 4 ILE H H 4 8.160 8.249 -0.089 1
1 20 . 22 1 1 A 4 4 ILE HA H 4 4.030 4.158 -0.128 1
1 30 . 22 1 1 A 5 5 PRO HA H 5 4.360 4.597 -0.237 1
1 37 . 22 1 1 A 6 6 ALA H H 6 8.320 8.120 0.200 1
1 38 . 22 1 1 A 6 6 ALA HA H 6 4.000 4.351 -0.351 1
1 42 . 22 1 1 A 7 7 ILE H H 7 7.720 7.768 -0.048 1
1 43 . 22 1 1 A 7 7 ILE HA H 7 3.880 3.765 0.115 1
1 53 . 22 1 1 A 8 8 TYR H H 8 7.530 7.512 0.018 1
1 54 . 22 1 1 A 8 8 TYR HA H 8 4.230 4.443 -0.213 1
1 61 . 22 1 1 A 9 9 ILE H H 9 7.350 7.571 -0.221 1
1 62 . 22 1 1 A 9 9 ILE HA H 9 3.620 4.517 -0.897 1
1 72 . 22 1 1 A 10 10 GLY H H 10 8.200 8.838 -0.638 1
1 73 . 22 1 1 A 10 10 GLY HA2 H 10 4.000 3.895 0.105 1
1 74 . 22 1 1 A 10 10 GLY HA3 H 10 4.130 3.899 0.231 1
1 75 . 22 1 1 A 11 11 ALA H H 11 8.130 7.699 0.431 1
1 76 . 22 1 1 A 11 11 ALA HA H 11 4.400 4.917 -0.517 1
1 80 . 22 1 1 A 12 12 THR H H 12 8.130 8.871 -0.741 1
1 81 . 22 1 1 A 12 12 THR HA H 12 4.970 5.217 -0.247 1
1 86 . 22 1 1 A 13 13 VAL H H 13 8.690 8.533 0.157 1
1 87 . 22 1 1 A 13 13 VAL HA H 13 4.690 4.638 0.052 1
1 95 . 22 1 1 A 14 14 GLY H H 14 8.440 8.460 -0.020 1
1 96 . 22 1 1 A 14 14 GLY HA2 H 14 4.360 4.091 0.269 1
1 97 . 22 1 1 A 14 14 GLY HA3 H 14 3.580 4.171 -0.591 1
1 98 . 22 1 1 A 15 15 PRO HA H 15 4.120 4.356 -0.236 1
1 105 . 22 1 1 A 16 16 SER H H 16 8.880 8.155 0.725 1
1 106 . 22 1 1 A 16 16 SER HA H 16 4.380 4.309 0.071 1
1 109 . 22 1 1 A 17 17 VAL H H 17 7.260 8.069 -0.809 1
1 110 . 22 1 1 A 17 17 VAL HA H 17 3.940 3.602 0.338 1
1 118 . 22 1 1 A 18 18 TRP H H 18 8.840 8.111 0.729 1
1 119 . 22 1 1 A 18 18 TRP HA H 18 3.810 4.133 -0.323 1
1 125 . 22 1 1 A 19 19 ALA H H 19 7.940 8.209 -0.269 1
1 126 . 22 1 1 A 19 19 ALA HA H 19 3.950 4.191 -0.241 1
1 130 . 22 1 1 A 20 20 TYR H H 20 7.500 7.849 -0.349 1
1 131 . 22 1 1 A 20 20 TYR HA H 20 4.260 4.160 0.100 1
1 138 . 22 1 1 A 21 21 LEU H H 21 8.100 8.179 -0.079 1
1 139 . 22 1 1 A 21 21 LEU HA H 21 3.380 3.927 -0.547 1
1 149 . 22 1 1 A 22 22 VAL H H 22 8.390 7.587 0.803 1
1 150 . 22 1 1 A 22 22 VAL HA H 22 2.820 3.312 -0.492 1
1 158 . 22 1 1 A 23 23 ALA H H 23 7.530 7.935 -0.405 1
1 159 . 22 1 1 A 23 23 ALA HA H 23 3.980 3.903 0.077 1
1 163 . 22 1 1 A 24 24 LEU H H 24 7.510 7.523 -0.013 1
1 164 . 22 1 1 A 24 24 LEU HA H 24 3.980 4.018 -0.038 1
1 174 . 22 1 1 A 25 25 VAL H H 25 7.780 7.891 -0.111 1
1 175 . 22 1 1 A 25 25 VAL HA H 25 4.550 4.326 0.224 1
1 183 . 22 1 1 A 26 26 GLY H H 26 7.790 7.319 0.471 1
1 184 . 22 1 1 A 26 26 GLY HA2 H 26 3.890 4.031 -0.141 1
1 185 . 22 1 1 A 26 26 GLY HA3 H 26 4.430 4.048 0.382 1
1 186 . 22 1 1 A 27 27 ALA H H 27 8.630 8.921 -0.291 1
1 187 . 22 1 1 A 27 27 ALA HA H 27 3.700 4.023 -0.323 1
1 191 . 22 1 1 A 28 28 ALA H H 28 8.490 7.888 0.602 1
1 192 . 22 1 1 A 28 28 ALA HA H 28 4.070 4.110 -0.040 1
1 196 . 22 1 1 A 29 29 ALA H H 29 8.220 8.072 0.148 1
1 197 . 22 1 1 A 29 29 ALA HA H 29 4.100 4.120 -0.020 1
1 201 . 22 1 1 A 30 30 VAL H H 30 7.230 7.496 -0.266 1
1 202 . 22 1 1 A 30 30 VAL HA H 30 3.280 3.530 -0.250 1
1 210 . 22 1 1 A 31 31 THR H H 31 8.100 7.645 0.455 1
1 211 . 22 1 1 A 31 31 THR HA H 31 4.150 4.284 -0.134 1
1 216 . 22 1 1 A 32 32 ALA H H 32 8.150 7.968 0.182 1
1 217 . 22 1 1 A 32 32 ALA HA H 32 4.220 4.208 0.012 1
1 221 . 22 1 1 A 33 33 ALA H H 33 7.240 7.474 -0.234 1
1 222 . 22 1 1 A 33 33 ALA HA H 33 4.470 4.372 0.098 1
1 226 . 22 1 1 A 34 34 ASN H H 34 8.240 8.183 0.057 1
1 227 . 22 1 1 A 34 34 ASN HA H 34 4.440 4.446 -0.006 1
1 230 . 22 1 1 A 35 35 ILE H H 35 6.980 7.824 -0.844 1
1 231 . 22 1 1 A 35 35 ILE HA H 35 4.660 4.754 -0.094 1
1 241 . 22 1 1 A 36 36 ARG H H 36 8.830 9.069 -0.239 1
1 242 . 22 1 1 A 36 36 ARG HA H 36 4.640 5.118 -0.478 1
1 250 . 22 1 1 A 37 37 ARG H H 37 8.250 8.455 -0.205 1
1 251 . 22 1 1 A 37 37 ARG HA H 37 4.450 5.472 -1.022 1
1 259 . 22 1 1 A 38 38 ALA H H 38 8.960 8.104 0.856 1
1 260 . 22 1 1 A 38 38 ALA HA H 38 4.680 4.782 -0.102 1
1 264 . 22 1 1 A 39 39 SER H H 39 8.580 8.642 -0.062 1
1 265 . 22 1 1 A 39 39 SER HA H 39 4.200 4.142 0.058 1
1 268 . 22 1 1 A 40 40 SER H H 40 7.890 7.803 0.087 1
1 269 . 22 1 1 A 40 40 SER HA H 40 4.650 4.719 -0.069 1
1 272 . 22 1 1 A 41 41 ASP H H 41 8.350 8.717 -0.367 1
1 273 . 22 1 1 A 41 41 ASP HA H 41 4.470 4.722 -0.252 1
1 276 . 22 1 1 A 42 42 ASN H H 42 8.000 7.786 0.214 1
1 277 . 22 1 1 A 42 42 ASN HA H 42 4.680 4.702 -0.022 1
1 280 . 22 1 1 A 43 43 HIS H H 43 6.580 8.206 -1.626 1
1 281 . 22 1 1 A 43 43 HIS HA H 43 4.210 5.557 -1.347 1
1 286 . 22 1 1 A 44 44 SER H H 44 8.430 8.718 -0.288 1
1 287 . 22 1 1 A 44 44 SER HA H 44 4.010 4.227 -0.217 1
1 290 . 22 1 1 A 45 45 CYS H H 45 8.050 8.086 -0.036 1
1 291 . 22 1 1 A 45 45 CYS HA H 45 4.880 4.820 0.060 1
1 294 . 22 1 1 A 46 46 ALA H H 46 8.400 8.435 -0.035 1
1 295 . 22 1 1 A 46 46 ALA HA H 46 2.370 3.542 -1.172 1
1 299 . 22 1 1 A 47 47 GLY H H 47 8.270 8.243 0.027 1
1 300 . 22 1 1 A 47 47 GLY HA2 H 47 3.730 3.878 -0.148 1
1 301 . 22 1 1 A 47 47 GLY HA3 H 47 3.790 3.883 -0.093 1
1 302 . 22 1 1 A 48 48 ASN H H 48 8.220 8.802 -0.582 1
1 303 . 22 1 1 A 48 48 ASN HA H 48 4.570 4.442 0.128 1
1 306 . 22 1 1 A 49 49 ARG H H 49 7.600 7.552 0.048 1
1 307 . 22 1 1 A 49 49 ARG HA H 49 4.600 4.430 0.170 1
1 315 . 22 1 1 A 50 50 GLY H H 50 8.120 7.395 0.725 1
1 316 . 22 1 1 A 50 50 GLY HA2 H 50 4.860 3.866 0.994 1
1 317 . 22 1 1 A 50 50 GLY HA3 H 50 3.410 3.965 -0.555 1
1 318 . 22 1 1 A 51 51 TRP H H 51 8.920 8.479 0.441 1
1 319 . 22 1 1 A 51 51 TRP HA H 51 4.470 5.369 -0.899 1
1 328 . 22 1 1 A 52 52 CYS H H 52 7.770 8.989 -1.219 1
1 329 . 22 1 1 A 52 52 CYS HA H 52 5.730 5.591 0.139 1
1 332 . 22 1 1 A 53 53 ARG H H 53 9.340 8.399 0.941 1
1 333 . 22 1 1 A 53 53 ARG HA H 53 4.460 4.867 -0.407 1
1 340 . 22 1 1 A 54 54 SER H H 54 8.320 9.205 -0.885 1
1 341 . 22 1 1 A 54 54 SER HA H 54 3.690 4.431 -0.741 1
1 344 . 22 1 1 A 55 55 LYS H H 55 6.760 7.862 -1.102 1
1 345 . 22 1 1 A 55 55 LYS HA H 55 4.290 4.606 -0.316 1
1 354 . 22 1 1 A 56 56 CYS H H 56 8.780 8.550 0.230 1
1 355 . 22 1 1 A 56 56 CYS HA H 56 4.690 5.331 -0.641 1
1 358 . 22 1 1 A 57 57 PHE H H 57 8.760 9.069 -0.309 1
1 359 . 22 1 1 A 57 57 PHE HA H 57 4.910 4.844 0.066 1
1 367 . 22 1 1 A 58 58 ARG H H 58 8.590 9.116 -0.526 1
1 368 . 22 1 1 A 58 58 ARG HA H 58 4.080 4.165 -0.085 1
1 376 . 22 1 1 A 59 59 HIS H H 59 8.710 7.982 0.728 1
1 377 . 22 1 1 A 59 59 HIS HA H 59 4.790 4.499 0.291 1
1 382 . 22 1 1 A 60 60 GLU H H 60 7.750 7.833 -0.083 1
1 383 . 22 1 1 A 60 60 GLU HA H 60 5.220 5.070 0.150 1
1 388 . 22 1 1 A 61 61 TYR H H 61 9.180 8.784 0.396 1
1 389 . 22 1 1 A 61 61 TYR HA H 61 5.010 5.433 -0.423 1
1 396 . 22 1 1 A 62 62 VAL H H 62 8.490 8.879 -0.389 1
1 397 . 22 1 1 A 62 62 VAL HA H 62 4.020 4.368 -0.348 1
1 405 . 22 1 1 A 63 63 ASP H H 63 9.070 7.964 1.106 1
1 406 . 22 1 1 A 63 63 ASP HA H 63 5.140 4.871 0.269 1
1 409 . 22 1 1 A 64 64 THR H H 64 8.930 8.696 0.234 1
1 410 . 22 1 1 A 64 64 THR HA H 64 4.020 3.986 0.034 1
1 415 . 22 1 1 A 65 65 TYR H H 65 8.440 8.160 0.280 1
1 416 . 22 1 1 A 65 65 TYR HA H 65 4.330 4.147 0.183 1
1 423 . 22 1 1 A 66 66 TYR H H 66 8.010 8.253 -0.243 1
1 424 . 22 1 1 A 66 66 TYR HA H 66 4.280 4.527 -0.247 1
1 431 . 22 1 1 A 67 67 SER H H 67 7.770 8.263 -0.493 1
1 432 . 22 1 1 A 67 67 SER HA H 67 4.120 4.205 -0.085 1
1 435 . 22 1 1 A 68 68 ALA H H 68 8.010 7.852 0.158 1
1 436 . 22 1 1 A 68 68 ALA HA H 68 4.230 4.154 0.076 1
1 440 . 22 1 1 A 69 69 VAL H H 69 7.220 8.138 -0.918 1
1 441 . 22 1 1 A 69 69 VAL HA H 69 4.330 4.112 0.218 1
1 449 . 22 1 1 A 70 70 CYS H H 70 7.930 7.706 0.224 1
1 450 . 22 1 1 A 70 70 CYS HA H 70 4.680 4.641 0.039 1
1 453 . 22 1 1 A 71 71 GLY H H 71 7.540 7.717 -0.177 1
1 454 . 22 1 1 A 71 71 GLY HA2 H 71 3.420 4.041 -0.621 1
1 455 . 22 1 1 A 71 71 GLY HA3 H 71 4.030 4.096 -0.066 1
1 456 . 22 1 1 A 72 72 ARG H H 72 8.410 8.691 -0.281 1
1 457 . 22 1 1 A 72 72 ARG HA H 72 4.170 3.972 0.198 1
1 465 . 22 1 1 A 73 73 TYR H H 73 7.500 7.956 -0.456 1
1 466 . 22 1 1 A 73 73 TYR HA H 73 4.470 4.604 -0.134 1
1 473 . 22 1 1 A 74 74 PHE H H 74 8.540 8.858 -0.318 1
1 474 . 22 1 1 A 74 74 PHE HA H 74 4.560 4.985 -0.425 1
1 482 . 22 1 1 A 75 75 CYS H H 75 9.110 9.114 -0.004 1
1 483 . 22 1 1 A 75 75 CYS HA H 75 4.840 5.410 -0.570 1
1 486 . 22 1 1 A 76 76 CYS H H 76 8.730 8.514 0.216 1
1 487 . 22 1 1 A 76 76 CYS HA H 76 5.080 5.029 0.051 1
1 490 . 22 1 1 A 77 77 ARG H H 77 8.930 7.728 1.202 1
1 491 . 22 1 1 A 77 77 ARG HA H 77 4.770 4.977 -0.207 1
1 499 . 22 1 1 A 78 78 SER H H 78 8.770 8.833 -0.063 1
1 500 . 22 1 1 A 78 78 SER HA H 78 4.760 4.958 -0.198 1
1 1 . 23 1 1 A 2 2 PRO HA H 2 4.500 4.729 -0.229 1
1 8 . 23 1 1 A 3 3 LEU H H 3 8.160 8.375 -0.215 1
1 9 . 23 1 1 A 3 3 LEU HA H 3 4.350 4.710 -0.360 1
1 19 . 23 1 1 A 4 4 ILE H H 4 8.160 8.312 -0.152 1
1 20 . 23 1 1 A 4 4 ILE HA H 4 4.030 4.192 -0.162 1
1 30 . 23 1 1 A 5 5 PRO HA H 5 4.360 4.527 -0.167 1
1 37 . 23 1 1 A 6 6 ALA H H 6 8.320 8.392 -0.072 1
1 38 . 23 1 1 A 6 6 ALA HA H 6 4.000 3.968 0.032 1
1 42 . 23 1 1 A 7 7 ILE H H 7 7.720 7.672 0.048 1
1 43 . 23 1 1 A 7 7 ILE HA H 7 3.880 3.638 0.242 1
1 53 . 23 1 1 A 8 8 TYR H H 8 7.530 7.657 -0.127 1
1 54 . 23 1 1 A 8 8 TYR HA H 8 4.230 4.492 -0.262 1
1 61 . 23 1 1 A 9 9 ILE H H 9 7.350 7.707 -0.357 1
1 62 . 23 1 1 A 9 9 ILE HA H 9 3.620 4.589 -0.969 1
1 72 . 23 1 1 A 10 10 GLY H H 10 8.200 8.873 -0.673 1
1 73 . 23 1 1 A 10 10 GLY HA2 H 10 4.000 3.905 0.095 1
1 74 . 23 1 1 A 10 10 GLY HA3 H 10 4.130 3.917 0.213 1
1 75 . 23 1 1 A 11 11 ALA H H 11 8.130 7.385 0.745 1
1 76 . 23 1 1 A 11 11 ALA HA H 11 4.400 4.942 -0.542 1
1 80 . 23 1 1 A 12 12 THR H H 12 8.130 8.677 -0.547 1
1 81 . 23 1 1 A 12 12 THR HA H 12 4.970 5.412 -0.442 1
1 86 . 23 1 1 A 13 13 VAL H H 13 8.690 8.479 0.211 1
1 87 . 23 1 1 A 13 13 VAL HA H 13 4.690 4.322 0.368 1
1 95 . 23 1 1 A 14 14 GLY H H 14 8.440 8.531 -0.091 1
1 96 . 23 1 1 A 14 14 GLY HA2 H 14 4.360 4.227 0.133 1
1 97 . 23 1 1 A 14 14 GLY HA3 H 14 3.580 4.287 -0.707 1
1 98 . 23 1 1 A 15 15 PRO HA H 15 4.120 4.437 -0.317 1
1 105 . 23 1 1 A 16 16 SER H H 16 8.880 8.231 0.649 1
1 106 . 23 1 1 A 16 16 SER HA H 16 4.380 4.248 0.132 1
1 109 . 23 1 1 A 17 17 VAL H H 17 7.260 8.123 -0.863 1
1 110 . 23 1 1 A 17 17 VAL HA H 17 3.940 3.625 0.315 1
1 118 . 23 1 1 A 18 18 TRP H H 18 8.840 7.860 0.980 1
1 119 . 23 1 1 A 18 18 TRP HA H 18 3.810 4.073 -0.263 1
1 125 . 23 1 1 A 19 19 ALA H H 19 7.940 8.024 -0.084 1
1 126 . 23 1 1 A 19 19 ALA HA H 19 3.950 3.652 0.298 1
1 130 . 23 1 1 A 20 20 TYR H H 20 7.500 7.603 -0.103 1
1 131 . 23 1 1 A 20 20 TYR HA H 20 4.260 4.271 -0.011 1
1 138 . 23 1 1 A 21 21 LEU H H 21 8.100 7.967 0.133 1
1 139 . 23 1 1 A 21 21 LEU HA H 21 3.380 3.935 -0.555 1
1 149 . 23 1 1 A 22 22 VAL H H 22 8.390 7.995 0.395 1
1 150 . 23 1 1 A 22 22 VAL HA H 22 2.820 3.312 -0.492 1
1 158 . 23 1 1 A 23 23 ALA H H 23 7.530 7.520 0.010 1
1 159 . 23 1 1 A 23 23 ALA HA H 23 3.980 3.923 0.057 1
1 163 . 23 1 1 A 24 24 LEU H H 24 7.510 7.490 0.020 1
1 164 . 23 1 1 A 24 24 LEU HA H 24 3.980 3.956 0.024 1
1 174 . 23 1 1 A 25 25 VAL H H 25 7.780 7.378 0.402 1
1 175 . 23 1 1 A 25 25 VAL HA H 25 4.550 4.059 0.491 1
1 183 . 23 1 1 A 26 26 GLY H H 26 7.790 7.337 0.453 1
1 184 . 23 1 1 A 26 26 GLY HA2 H 26 3.890 3.978 -0.088 1
1 185 . 23 1 1 A 26 26 GLY HA3 H 26 4.430 4.008 0.422 1
1 186 . 23 1 1 A 27 27 ALA H H 27 8.630 8.745 -0.115 1
1 187 . 23 1 1 A 27 27 ALA HA H 27 3.700 3.903 -0.203 1
1 191 . 23 1 1 A 28 28 ALA H H 28 8.490 8.264 0.226 1
1 192 . 23 1 1 A 28 28 ALA HA H 28 4.070 4.040 0.030 1
1 196 . 23 1 1 A 29 29 ALA H H 29 8.220 7.940 0.280 1
1 197 . 23 1 1 A 29 29 ALA HA H 29 4.100 4.111 -0.011 1
1 201 . 23 1 1 A 30 30 VAL H H 30 7.230 7.888 -0.658 1
1 202 . 23 1 1 A 30 30 VAL HA H 30 3.280 3.536 -0.256 1
1 210 . 23 1 1 A 31 31 THR H H 31 8.100 7.928 0.172 1
1 211 . 23 1 1 A 31 31 THR HA H 31 4.150 4.057 0.093 1
1 216 . 23 1 1 A 32 32 ALA H H 32 8.150 7.602 0.548 1
1 217 . 23 1 1 A 32 32 ALA HA H 32 4.220 4.225 -0.005 1
1 221 . 23 1 1 A 33 33 ALA H H 33 7.240 7.537 -0.297 1
1 222 . 23 1 1 A 33 33 ALA HA H 33 4.470 4.407 0.063 1
1 226 . 23 1 1 A 34 34 ASN H H 34 8.240 8.222 0.018 1
1 227 . 23 1 1 A 34 34 ASN HA H 34 4.440 4.417 0.023 1
1 230 . 23 1 1 A 35 35 ILE H H 35 6.980 7.657 -0.677 1
1 231 . 23 1 1 A 35 35 ILE HA H 35 4.660 4.570 0.090 1
1 241 . 23 1 1 A 36 36 ARG H H 36 8.830 8.864 -0.034 1
1 242 . 23 1 1 A 36 36 ARG HA H 36 4.640 4.710 -0.070 1
1 250 . 23 1 1 A 37 37 ARG H H 37 8.250 8.248 0.002 1
1 251 . 23 1 1 A 37 37 ARG HA H 37 4.450 4.863 -0.413 1
1 259 . 23 1 1 A 38 38 ALA H H 38 8.960 8.090 0.870 1
1 260 . 23 1 1 A 38 38 ALA HA H 38 4.680 4.644 0.036 1
1 264 . 23 1 1 A 39 39 SER H H 39 8.580 8.881 -0.301 1
1 265 . 23 1 1 A 39 39 SER HA H 39 4.200 4.427 -0.227 1
1 268 . 23 1 1 A 40 40 SER H H 40 7.890 7.732 0.158 1
1 269 . 23 1 1 A 40 40 SER HA H 40 4.650 4.647 0.003 1
1 272 . 23 1 1 A 41 41 ASP H H 41 8.350 8.583 -0.233 1
1 273 . 23 1 1 A 41 41 ASP HA H 41 4.470 4.708 -0.238 1
1 276 . 23 1 1 A 42 42 ASN H H 42 8.000 7.666 0.334 1
1 277 . 23 1 1 A 42 42 ASN HA H 42 4.680 5.105 -0.425 1
1 280 . 23 1 1 A 43 43 HIS H H 43 6.580 8.357 -1.777 1
1 281 . 23 1 1 A 43 43 HIS HA H 43 4.210 5.597 -1.387 1
1 286 . 23 1 1 A 44 44 SER H H 44 8.430 8.605 -0.175 1
1 287 . 23 1 1 A 44 44 SER HA H 44 4.010 3.370 0.640 1
1 290 . 23 1 1 A 45 45 CYS H H 45 8.050 7.826 0.224 1
1 291 . 23 1 1 A 45 45 CYS HA H 45 4.880 4.898 -0.018 1
1 294 . 23 1 1 A 46 46 ALA H H 46 8.400 7.959 0.441 1
1 295 . 23 1 1 A 46 46 ALA HA H 46 2.370 3.124 -0.754 1
1 299 . 23 1 1 A 47 47 GLY H H 47 8.270 8.240 0.030 1
1 300 . 23 1 1 A 47 47 GLY HA2 H 47 3.730 3.876 -0.146 1
1 301 . 23 1 1 A 47 47 GLY HA3 H 47 3.790 3.879 -0.089 1
1 302 . 23 1 1 A 48 48 ASN H H 48 8.220 8.717 -0.497 1
1 303 . 23 1 1 A 48 48 ASN HA H 48 4.570 4.776 -0.206 1
1 306 . 23 1 1 A 49 49 ARG H H 49 7.600 7.272 0.328 1
1 307 . 23 1 1 A 49 49 ARG HA H 49 4.600 4.436 0.164 1
1 315 . 23 1 1 A 50 50 GLY H H 50 8.120 7.466 0.654 1
1 316 . 23 1 1 A 50 50 GLY HA2 H 50 4.860 3.999 0.861 1
1 317 . 23 1 1 A 50 50 GLY HA3 H 50 3.410 4.107 -0.697 1
1 318 . 23 1 1 A 51 51 TRP H H 51 8.920 8.391 0.529 1
1 319 . 23 1 1 A 51 51 TRP HA H 51 4.470 5.383 -0.913 1
1 328 . 23 1 1 A 52 52 CYS H H 52 7.770 8.933 -1.163 1
1 329 . 23 1 1 A 52 52 CYS HA H 52 5.730 5.366 0.364 1
1 332 . 23 1 1 A 53 53 ARG H H 53 9.340 8.437 0.903 1
1 333 . 23 1 1 A 53 53 ARG HA H 53 4.460 4.667 -0.207 1
1 340 . 23 1 1 A 54 54 SER H H 54 8.320 8.210 0.110 1
1 341 . 23 1 1 A 54 54 SER HA H 54 3.690 3.452 0.238 1
1 344 . 23 1 1 A 55 55 LYS H H 55 6.760 7.546 -0.786 1
1 345 . 23 1 1 A 55 55 LYS HA H 55 4.290 4.832 -0.542 1
1 354 . 23 1 1 A 56 56 CYS H H 56 8.780 8.650 0.130 1
1 355 . 23 1 1 A 56 56 CYS HA H 56 4.690 5.155 -0.465 1
1 358 . 23 1 1 A 57 57 PHE H H 57 8.760 8.915 -0.155 1
1 359 . 23 1 1 A 57 57 PHE HA H 57 4.910 4.826 0.084 1
1 367 . 23 1 1 A 58 58 ARG H H 58 8.590 9.172 -0.582 1
1 368 . 23 1 1 A 58 58 ARG HA H 58 4.080 4.189 -0.109 1
1 376 . 23 1 1 A 59 59 HIS H H 59 8.710 7.921 0.789 1
1 377 . 23 1 1 A 59 59 HIS HA H 59 4.790 4.629 0.161 1
1 382 . 23 1 1 A 60 60 GLU H H 60 7.750 7.768 -0.018 1
1 383 . 23 1 1 A 60 60 GLU HA H 60 5.220 5.072 0.148 1
1 388 . 23 1 1 A 61 61 TYR H H 61 9.180 8.845 0.335 1
1 389 . 23 1 1 A 61 61 TYR HA H 61 5.010 5.169 -0.159 1
1 396 . 23 1 1 A 62 62 VAL H H 62 8.490 8.469 0.021 1
1 397 . 23 1 1 A 62 62 VAL HA H 62 4.020 4.373 -0.353 1
1 405 . 23 1 1 A 63 63 ASP H H 63 9.070 8.072 0.998 1
1 406 . 23 1 1 A 63 63 ASP HA H 63 5.140 4.738 0.402 1
1 409 . 23 1 1 A 64 64 THR H H 64 8.930 8.510 0.420 1
1 410 . 23 1 1 A 64 64 THR HA H 64 4.020 3.952 0.068 1
1 415 . 23 1 1 A 65 65 TYR H H 65 8.440 8.198 0.242 1
1 416 . 23 1 1 A 65 65 TYR HA H 65 4.330 4.270 0.060 1
1 423 . 23 1 1 A 66 66 TYR H H 66 8.010 8.232 -0.222 1
1 424 . 23 1 1 A 66 66 TYR HA H 66 4.280 4.550 -0.270 1
1 431 . 23 1 1 A 67 67 SER H H 67 7.770 8.272 -0.502 1
1 432 . 23 1 1 A 67 67 SER HA H 67 4.120 4.241 -0.121 1
1 435 . 23 1 1 A 68 68 ALA H H 68 8.010 7.807 0.203 1
1 436 . 23 1 1 A 68 68 ALA HA H 68 4.230 4.183 0.047 1
1 440 . 23 1 1 A 69 69 VAL H H 69 7.220 8.073 -0.853 1
1 441 . 23 1 1 A 69 69 VAL HA H 69 4.330 4.176 0.154 1
1 449 . 23 1 1 A 70 70 CYS H H 70 7.930 7.753 0.177 1
1 450 . 23 1 1 A 70 70 CYS HA H 70 4.680 4.221 0.459 1
1 453 . 23 1 1 A 71 71 GLY H H 71 7.540 7.712 -0.172 1
1 454 . 23 1 1 A 71 71 GLY HA2 H 71 3.420 4.046 -0.626 1
1 455 . 23 1 1 A 71 71 GLY HA3 H 71 4.030 4.095 -0.065 1
1 456 . 23 1 1 A 72 72 ARG H H 72 8.410 8.585 -0.175 1
1 457 . 23 1 1 A 72 72 ARG HA H 72 4.170 4.055 0.115 1
1 465 . 23 1 1 A 73 73 TYR H H 73 7.500 7.737 -0.237 1
1 466 . 23 1 1 A 73 73 TYR HA H 73 4.470 4.338 0.132 1
1 473 . 23 1 1 A 74 74 PHE H H 74 8.540 8.351 0.189 1
1 474 . 23 1 1 A 74 74 PHE HA H 74 4.560 5.013 -0.453 1
1 482 . 23 1 1 A 75 75 CYS H H 75 9.110 9.027 0.083 1
1 483 . 23 1 1 A 75 75 CYS HA H 75 4.840 5.190 -0.350 1
1 486 . 23 1 1 A 76 76 CYS H H 76 8.730 8.574 0.156 1
1 487 . 23 1 1 A 76 76 CYS HA H 76 5.080 5.199 -0.119 1
1 490 . 23 1 1 A 77 77 ARG H H 77 8.930 8.027 0.903 1
1 491 . 23 1 1 A 77 77 ARG HA H 77 4.770 4.889 -0.119 1
1 499 . 23 1 1 A 78 78 SER H H 78 8.770 8.885 -0.115 1
1 500 . 23 1 1 A 78 78 SER HA H 78 4.760 5.496 -0.736 1
1 1 . 24 1 1 A 2 2 PRO HA H 2 4.500 4.751 -0.251 1
1 8 . 24 1 1 A 3 3 LEU H H 3 8.160 8.046 0.114 1
1 9 . 24 1 1 A 3 3 LEU HA H 3 4.350 4.782 -0.432 1
1 19 . 24 1 1 A 4 4 ILE H H 4 8.160 8.604 -0.444 1
1 20 . 24 1 1 A 4 4 ILE HA H 4 4.030 4.161 -0.131 1
1 30 . 24 1 1 A 5 5 PRO HA H 5 4.360 4.472 -0.112 1
1 37 . 24 1 1 A 6 6 ALA H H 6 8.320 8.401 -0.081 1
1 38 . 24 1 1 A 6 6 ALA HA H 6 4.000 4.017 -0.017 1
1 42 . 24 1 1 A 7 7 ILE H H 7 7.720 7.860 -0.140 1
1 43 . 24 1 1 A 7 7 ILE HA H 7 3.880 3.873 0.007 1
1 53 . 24 1 1 A 8 8 TYR H H 8 7.530 8.071 -0.541 1
1 54 . 24 1 1 A 8 8 TYR HA H 8 4.230 4.474 -0.244 1
1 61 . 24 1 1 A 9 9 ILE H H 9 7.350 7.739 -0.389 1
1 62 . 24 1 1 A 9 9 ILE HA H 9 3.620 4.542 -0.922 1
1 72 . 24 1 1 A 10 10 GLY H H 10 8.200 8.824 -0.624 1
1 73 . 24 1 1 A 10 10 GLY HA2 H 10 4.000 3.909 0.091 1
1 74 . 24 1 1 A 10 10 GLY HA3 H 10 4.130 3.926 0.204 1
1 75 . 24 1 1 A 11 11 ALA H H 11 8.130 7.733 0.397 1
1 76 . 24 1 1 A 11 11 ALA HA H 11 4.400 4.938 -0.538 1
1 80 . 24 1 1 A 12 12 THR H H 12 8.130 8.599 -0.469 1
1 81 . 24 1 1 A 12 12 THR HA H 12 4.970 5.317 -0.347 1
1 86 . 24 1 1 A 13 13 VAL H H 13 8.690 8.397 0.293 1
1 87 . 24 1 1 A 13 13 VAL HA H 13 4.690 4.458 0.232 1
1 95 . 24 1 1 A 14 14 GLY H H 14 8.440 8.360 0.080 1
1 96 . 24 1 1 A 14 14 GLY HA2 H 14 4.360 4.022 0.338 1
1 97 . 24 1 1 A 14 14 GLY HA3 H 14 3.580 4.094 -0.514 1
1 98 . 24 1 1 A 15 15 PRO HA H 15 4.120 4.358 -0.238 1
1 105 . 24 1 1 A 16 16 SER H H 16 8.880 8.228 0.652 1
1 106 . 24 1 1 A 16 16 SER HA H 16 4.380 4.285 0.095 1
1 109 . 24 1 1 A 17 17 VAL H H 17 7.260 8.170 -0.910 1
1 110 . 24 1 1 A 17 17 VAL HA H 17 3.940 3.621 0.319 1
1 118 . 24 1 1 A 18 18 TRP H H 18 8.840 8.011 0.829 1
1 119 . 24 1 1 A 18 18 TRP HA H 18 3.810 4.053 -0.243 1
1 125 . 24 1 1 A 19 19 ALA H H 19 7.940 8.254 -0.314 1
1 126 . 24 1 1 A 19 19 ALA HA H 19 3.950 4.226 -0.276 1
1 130 . 24 1 1 A 20 20 TYR H H 20 7.500 7.806 -0.306 1
1 131 . 24 1 1 A 20 20 TYR HA H 20 4.260 4.195 0.065 1
1 138 . 24 1 1 A 21 21 LEU H H 21 8.100 8.067 0.033 1
1 139 . 24 1 1 A 21 21 LEU HA H 21 3.380 4.011 -0.631 1
1 149 . 24 1 1 A 22 22 VAL H H 22 8.390 7.956 0.434 1
1 150 . 24 1 1 A 22 22 VAL HA H 22 2.820 3.403 -0.583 1
1 158 . 24 1 1 A 23 23 ALA H H 23 7.530 7.845 -0.315 1
1 159 . 24 1 1 A 23 23 ALA HA H 23 3.980 3.932 0.048 1
1 163 . 24 1 1 A 24 24 LEU H H 24 7.510 7.509 0.001 1
1 164 . 24 1 1 A 24 24 LEU HA H 24 3.980 4.033 -0.053 1
1 174 . 24 1 1 A 25 25 VAL H H 25 7.780 7.885 -0.105 1
1 175 . 24 1 1 A 25 25 VAL HA H 25 4.550 4.323 0.227 1
1 183 . 24 1 1 A 26 26 GLY H H 26 7.790 7.294 0.496 1
1 184 . 24 1 1 A 26 26 GLY HA2 H 26 3.890 4.018 -0.128 1
1 185 . 24 1 1 A 26 26 GLY HA3 H 26 4.430 4.030 0.400 1
1 186 . 24 1 1 A 27 27 ALA H H 27 8.630 8.957 -0.327 1
1 187 . 24 1 1 A 27 27 ALA HA H 27 3.700 4.034 -0.334 1
1 191 . 24 1 1 A 28 28 ALA H H 28 8.490 7.924 0.566 1
1 192 . 24 1 1 A 28 28 ALA HA H 28 4.070 4.111 -0.041 1
1 196 . 24 1 1 A 29 29 ALA H H 29 8.220 8.157 0.063 1
1 197 . 24 1 1 A 29 29 ALA HA H 29 4.100 4.076 0.024 1
1 201 . 24 1 1 A 30 30 VAL H H 30 7.230 7.681 -0.451 1
1 202 . 24 1 1 A 30 30 VAL HA H 30 3.280 3.456 -0.176 1
1 210 . 24 1 1 A 31 31 THR H H 31 8.100 7.665 0.435 1
1 211 . 24 1 1 A 31 31 THR HA H 31 4.150 4.264 -0.114 1
1 216 . 24 1 1 A 32 32 ALA H H 32 8.150 7.910 0.240 1
1 217 . 24 1 1 A 32 32 ALA HA H 32 4.220 4.212 0.008 1
1 221 . 24 1 1 A 33 33 ALA H H 33 7.240 7.410 -0.170 1
1 222 . 24 1 1 A 33 33 ALA HA H 33 4.470 4.372 0.098 1
1 226 . 24 1 1 A 34 34 ASN H H 34 8.240 8.134 0.106 1
1 227 . 24 1 1 A 34 34 ASN HA H 34 4.440 4.432 0.008 1
1 230 . 24 1 1 A 35 35 ILE H H 35 6.980 7.795 -0.815 1
1 231 . 24 1 1 A 35 35 ILE HA H 35 4.660 4.614 0.046 1
1 241 . 24 1 1 A 36 36 ARG H H 36 8.830 8.907 -0.077 1
1 242 . 24 1 1 A 36 36 ARG HA H 36 4.640 4.763 -0.123 1
1 250 . 24 1 1 A 37 37 ARG H H 37 8.250 8.430 -0.180 1
1 251 . 24 1 1 A 37 37 ARG HA H 37 4.450 5.126 -0.676 1
1 259 . 24 1 1 A 38 38 ALA H H 38 8.960 8.028 0.932 1
1 260 . 24 1 1 A 38 38 ALA HA H 38 4.680 4.747 -0.067 1
1 264 . 24 1 1 A 39 39 SER H H 39 8.580 8.741 -0.161 1
1 265 . 24 1 1 A 39 39 SER HA H 39 4.200 4.160 0.040 1
1 268 . 24 1 1 A 40 40 SER H H 40 7.890 7.737 0.153 1
1 269 . 24 1 1 A 40 40 SER HA H 40 4.650 4.674 -0.024 1
1 272 . 24 1 1 A 41 41 ASP H H 41 8.350 8.623 -0.273 1
1 273 . 24 1 1 A 41 41 ASP HA H 41 4.470 4.639 -0.169 1
1 276 . 24 1 1 A 42 42 ASN H H 42 8.000 7.411 0.589 1
1 277 . 24 1 1 A 42 42 ASN HA H 42 4.680 4.718 -0.038 1
1 280 . 24 1 1 A 43 43 HIS H H 43 6.580 8.191 -1.611 1
1 281 . 24 1 1 A 43 43 HIS HA H 43 4.210 5.530 -1.320 1
1 286 . 24 1 1 A 44 44 SER H H 44 8.430 8.534 -0.104 1
1 287 . 24 1 1 A 44 44 SER HA H 44 4.010 3.688 0.322 1
1 290 . 24 1 1 A 45 45 CYS H H 45 8.050 7.861 0.189 1
1 291 . 24 1 1 A 45 45 CYS HA H 45 4.880 4.741 0.139 1
1 294 . 24 1 1 A 46 46 ALA H H 46 8.400 7.566 0.834 1
1 295 . 24 1 1 A 46 46 ALA HA H 46 2.370 3.451 -1.081 1
1 299 . 24 1 1 A 47 47 GLY H H 47 8.270 8.186 0.084 1
1 300 . 24 1 1 A 47 47 GLY HA2 H 47 3.730 3.847 -0.117 1
1 301 . 24 1 1 A 47 47 GLY HA3 H 47 3.790 3.877 -0.087 1
1 302 . 24 1 1 A 48 48 ASN H H 48 8.220 8.710 -0.490 1
1 303 . 24 1 1 A 48 48 ASN HA H 48 4.570 4.779 -0.209 1
1 306 . 24 1 1 A 49 49 ARG H H 49 7.600 7.624 -0.024 1
1 307 . 24 1 1 A 49 49 ARG HA H 49 4.600 4.487 0.113 1
1 315 . 24 1 1 A 50 50 GLY H H 50 8.120 7.350 0.770 1
1 316 . 24 1 1 A 50 50 GLY HA2 H 50 4.860 3.990 0.870 1
1 317 . 24 1 1 A 50 50 GLY HA3 H 50 3.410 4.079 -0.669 1
1 318 . 24 1 1 A 51 51 TRP H H 51 8.920 8.181 0.739 1
1 319 . 24 1 1 A 51 51 TRP HA H 51 4.470 5.372 -0.902 1
1 328 . 24 1 1 A 52 52 CYS H H 52 7.770 8.872 -1.102 1
1 329 . 24 1 1 A 52 52 CYS HA H 52 5.730 5.489 0.241 1
1 332 . 24 1 1 A 53 53 ARG H H 53 9.340 8.572 0.768 1
1 333 . 24 1 1 A 53 53 ARG HA H 53 4.460 4.983 -0.523 1
1 340 . 24 1 1 A 54 54 SER H H 54 8.320 8.860 -0.540 1
1 341 . 24 1 1 A 54 54 SER HA H 54 3.690 4.066 -0.376 1
1 344 . 24 1 1 A 55 55 LYS H H 55 6.760 7.643 -0.883 1
1 345 . 24 1 1 A 55 55 LYS HA H 55 4.290 4.533 -0.243 1
1 354 . 24 1 1 A 56 56 CYS H H 56 8.780 8.482 0.298 1
1 355 . 24 1 1 A 56 56 CYS HA H 56 4.690 4.699 -0.009 1
1 358 . 24 1 1 A 57 57 PHE H H 57 8.760 8.112 0.648 1
1 359 . 24 1 1 A 57 57 PHE HA H 57 4.910 4.769 0.141 1
1 367 . 24 1 1 A 58 58 ARG H H 58 8.590 9.183 -0.593 1
1 368 . 24 1 1 A 58 58 ARG HA H 58 4.080 4.092 -0.012 1
1 376 . 24 1 1 A 59 59 HIS H H 59 8.710 8.371 0.339 1
1 377 . 24 1 1 A 59 59 HIS HA H 59 4.790 4.288 0.502 1
1 382 . 24 1 1 A 60 60 GLU H H 60 7.750 7.631 0.119 1
1 383 . 24 1 1 A 60 60 GLU HA H 60 5.220 5.008 0.212 1
1 388 . 24 1 1 A 61 61 TYR H H 61 9.180 8.672 0.508 1
1 389 . 24 1 1 A 61 61 TYR HA H 61 5.010 5.391 -0.381 1
1 396 . 24 1 1 A 62 62 VAL H H 62 8.490 8.851 -0.361 1
1 397 . 24 1 1 A 62 62 VAL HA H 62 4.020 4.416 -0.396 1
1 405 . 24 1 1 A 63 63 ASP H H 63 9.070 8.192 0.878 1
1 406 . 24 1 1 A 63 63 ASP HA H 63 5.140 4.909 0.231 1
1 409 . 24 1 1 A 64 64 THR H H 64 8.930 8.659 0.271 1
1 410 . 24 1 1 A 64 64 THR HA H 64 4.020 3.984 0.036 1
1 415 . 24 1 1 A 65 65 TYR H H 65 8.440 8.147 0.293 1
1 416 . 24 1 1 A 65 65 TYR HA H 65 4.330 4.253 0.077 1
1 423 . 24 1 1 A 66 66 TYR H H 66 8.010 8.351 -0.341 1
1 424 . 24 1 1 A 66 66 TYR HA H 66 4.280 4.670 -0.390 1
1 431 . 24 1 1 A 67 67 SER H H 67 7.770 8.201 -0.431 1
1 432 . 24 1 1 A 67 67 SER HA H 67 4.120 4.338 -0.218 1
1 435 . 24 1 1 A 68 68 ALA H H 68 8.010 8.043 -0.033 1
1 436 . 24 1 1 A 68 68 ALA HA H 68 4.230 4.105 0.125 1
1 440 . 24 1 1 A 69 69 VAL H H 69 7.220 8.026 -0.806 1
1 441 . 24 1 1 A 69 69 VAL HA H 69 4.330 3.876 0.454 1
1 449 . 24 1 1 A 70 70 CYS H H 70 7.930 7.631 0.299 1
1 450 . 24 1 1 A 70 70 CYS HA H 70 4.680 4.206 0.474 1
1 453 . 24 1 1 A 71 71 GLY H H 71 7.540 7.697 -0.157 1
1 454 . 24 1 1 A 71 71 GLY HA2 H 71 3.420 3.919 -0.499 1
1 455 . 24 1 1 A 71 71 GLY HA3 H 71 4.030 3.972 0.058 1
1 456 . 24 1 1 A 72 72 ARG H H 72 8.410 8.297 0.113 1
1 457 . 24 1 1 A 72 72 ARG HA H 72 4.170 3.974 0.196 1
1 465 . 24 1 1 A 73 73 TYR H H 73 7.500 8.066 -0.566 1
1 466 . 24 1 1 A 73 73 TYR HA H 73 4.470 4.811 -0.341 1
1 473 . 24 1 1 A 74 74 PHE H H 74 8.540 8.845 -0.305 1
1 474 . 24 1 1 A 74 74 PHE HA H 74 4.560 5.061 -0.501 1
1 482 . 24 1 1 A 75 75 CYS H H 75 9.110 8.928 0.182 1
1 483 . 24 1 1 A 75 75 CYS HA H 75 4.840 5.014 -0.174 1
1 486 . 24 1 1 A 76 76 CYS H H 76 8.730 8.423 0.307 1
1 487 . 24 1 1 A 76 76 CYS HA H 76 5.080 4.985 0.095 1
1 490 . 24 1 1 A 77 77 ARG H H 77 8.930 7.801 1.129 1
1 491 . 24 1 1 A 77 77 ARG HA H 77 4.770 4.835 -0.065 1
1 499 . 24 1 1 A 78 78 SER H H 78 8.770 8.767 0.003 1
1 500 . 24 1 1 A 78 78 SER HA H 78 4.760 5.393 -0.633 1
1 1 . 25 1 1 A 2 2 PRO HA H 2 4.500 4.602 -0.102 1
1 8 . 25 1 1 A 3 3 LEU H H 3 8.160 8.298 -0.138 1
1 9 . 25 1 1 A 3 3 LEU HA H 3 4.350 4.364 -0.014 1
1 19 . 25 1 1 A 4 4 ILE H H 4 8.160 8.509 -0.349 1
1 20 . 25 1 1 A 4 4 ILE HA H 4 4.030 4.580 -0.550 1
1 30 . 25 1 1 A 5 5 PRO HA H 5 4.360 4.518 -0.158 1
1 37 . 25 1 1 A 6 6 ALA H H 6 8.320 8.406 -0.086 1
1 38 . 25 1 1 A 6 6 ALA HA H 6 4.000 3.975 0.025 1
1 42 . 25 1 1 A 7 7 ILE H H 7 7.720 7.661 0.059 1
1 43 . 25 1 1 A 7 7 ILE HA H 7 3.880 3.489 0.391 1
1 53 . 25 1 1 A 8 8 TYR H H 8 7.530 7.706 -0.176 1
1 54 . 25 1 1 A 8 8 TYR HA H 8 4.230 4.305 -0.075 1
1 61 . 25 1 1 A 9 9 ILE H H 9 7.350 7.646 -0.296 1
1 62 . 25 1 1 A 9 9 ILE HA H 9 3.620 4.559 -0.939 1
1 72 . 25 1 1 A 10 10 GLY H H 10 8.200 8.733 -0.533 1
1 73 . 25 1 1 A 10 10 GLY HA2 H 10 4.000 3.902 0.098 1
1 74 . 25 1 1 A 10 10 GLY HA3 H 10 4.130 3.923 0.207 1
1 75 . 25 1 1 A 11 11 ALA H H 11 8.130 7.341 0.789 1
1 76 . 25 1 1 A 11 11 ALA HA H 11 4.400 4.898 -0.498 1
1 80 . 25 1 1 A 12 12 THR H H 12 8.130 8.653 -0.523 1
1 81 . 25 1 1 A 12 12 THR HA H 12 4.970 5.377 -0.407 1
1 86 . 25 1 1 A 13 13 VAL H H 13 8.690 8.387 0.303 1
1 87 . 25 1 1 A 13 13 VAL HA H 13 4.690 4.427 0.263 1
1 95 . 25 1 1 A 14 14 GLY H H 14 8.440 8.335 0.105 1
1 96 . 25 1 1 A 14 14 GLY HA2 H 14 4.360 3.991 0.369 1
1 97 . 25 1 1 A 14 14 GLY HA3 H 14 3.580 4.072 -0.492 1
1 98 . 25 1 1 A 15 15 PRO HA H 15 4.120 4.461 -0.341 1
1 105 . 25 1 1 A 16 16 SER H H 16 8.880 8.157 0.723 1
1 106 . 25 1 1 A 16 16 SER HA H 16 4.380 4.252 0.128 1
1 109 . 25 1 1 A 17 17 VAL H H 17 7.260 7.963 -0.703 1
1 110 . 25 1 1 A 17 17 VAL HA H 17 3.940 3.581 0.359 1
1 118 . 25 1 1 A 18 18 TRP H H 18 8.840 7.960 0.880 1
1 119 . 25 1 1 A 18 18 TRP HA H 18 3.810 4.102 -0.292 1
1 125 . 25 1 1 A 19 19 ALA H H 19 7.940 8.005 -0.065 1
1 126 . 25 1 1 A 19 19 ALA HA H 19 3.950 3.740 0.210 1
1 130 . 25 1 1 A 20 20 TYR H H 20 7.500 7.726 -0.226 1
1 131 . 25 1 1 A 20 20 TYR HA H 20 4.260 4.260 0.000 1
1 138 . 25 1 1 A 21 21 LEU H H 21 8.100 8.141 -0.041 1
1 139 . 25 1 1 A 21 21 LEU HA H 21 3.380 4.033 -0.653 1
1 149 . 25 1 1 A 22 22 VAL H H 22 8.390 8.058 0.332 1
1 150 . 25 1 1 A 22 22 VAL HA H 22 2.820 3.444 -0.624 1
1 158 . 25 1 1 A 23 23 ALA H H 23 7.530 7.836 -0.306 1
1 159 . 25 1 1 A 23 23 ALA HA H 23 3.980 3.837 0.143 1
1 163 . 25 1 1 A 24 24 LEU H H 24 7.510 7.549 -0.039 1
1 164 . 25 1 1 A 24 24 LEU HA H 24 3.980 3.983 -0.003 1
1 174 . 25 1 1 A 25 25 VAL H H 25 7.780 7.888 -0.108 1
1 175 . 25 1 1 A 25 25 VAL HA H 25 4.550 4.322 0.228 1
1 183 . 25 1 1 A 26 26 GLY H H 26 7.790 7.371 0.419 1
1 184 . 25 1 1 A 26 26 GLY HA2 H 26 3.890 3.965 -0.075 1
1 185 . 25 1 1 A 26 26 GLY HA3 H 26 4.430 3.998 0.432 1
1 186 . 25 1 1 A 27 27 ALA H H 27 8.630 8.631 -0.001 1
1 187 . 25 1 1 A 27 27 ALA HA H 27 3.700 4.030 -0.330 1
1 191 . 25 1 1 A 28 28 ALA H H 28 8.490 7.818 0.672 1
1 192 . 25 1 1 A 28 28 ALA HA H 28 4.070 4.083 -0.013 1
1 196 . 25 1 1 A 29 29 ALA H H 29 8.220 8.073 0.147 1
1 197 . 25 1 1 A 29 29 ALA HA H 29 4.100 4.125 -0.025 1
1 201 . 25 1 1 A 30 30 VAL H H 30 7.230 7.525 -0.295 1
1 202 . 25 1 1 A 30 30 VAL HA H 30 3.280 3.817 -0.537 1
1 210 . 25 1 1 A 31 31 THR H H 31 8.100 7.679 0.421 1
1 211 . 25 1 1 A 31 31 THR HA H 31 4.150 4.319 -0.169 1
1 216 . 25 1 1 A 32 32 ALA H H 32 8.150 7.814 0.336 1
1 217 . 25 1 1 A 32 32 ALA HA H 32 4.220 4.215 0.005 1
1 221 . 25 1 1 A 33 33 ALA H H 33 7.240 7.558 -0.318 1
1 222 . 25 1 1 A 33 33 ALA HA H 33 4.470 4.402 0.068 1
1 226 . 25 1 1 A 34 34 ASN H H 34 8.240 8.208 0.032 1
1 227 . 25 1 1 A 34 34 ASN HA H 34 4.440 4.406 0.034 1
1 230 . 25 1 1 A 35 35 ILE H H 35 6.980 7.672 -0.692 1
1 231 . 25 1 1 A 35 35 ILE HA H 35 4.660 4.542 0.118 1
1 241 . 25 1 1 A 36 36 ARG H H 36 8.830 8.709 0.121 1
1 242 . 25 1 1 A 36 36 ARG HA H 36 4.640 4.522 0.118 1
1 250 . 25 1 1 A 37 37 ARG H H 37 8.250 8.234 0.016 1
1 251 . 25 1 1 A 37 37 ARG HA H 37 4.450 4.973 -0.523 1
1 259 . 25 1 1 A 38 38 ALA H H 38 8.960 8.052 0.908 1
1 260 . 25 1 1 A 38 38 ALA HA H 38 4.680 4.694 -0.014 1
1 264 . 25 1 1 A 39 39 SER H H 39 8.580 8.663 -0.083 1
1 265 . 25 1 1 A 39 39 SER HA H 39 4.200 4.226 -0.026 1
1 268 . 25 1 1 A 40 40 SER H H 40 7.890 7.728 0.162 1
1 269 . 25 1 1 A 40 40 SER HA H 40 4.650 4.639 0.011 1
1 272 . 25 1 1 A 41 41 ASP H H 41 8.350 8.686 -0.336 1
1 273 . 25 1 1 A 41 41 ASP HA H 41 4.470 4.687 -0.217 1
1 276 . 25 1 1 A 42 42 ASN H H 42 8.000 7.795 0.205 1
1 277 . 25 1 1 A 42 42 ASN HA H 42 4.680 5.154 -0.474 1
1 280 . 25 1 1 A 43 43 HIS H H 43 6.580 8.356 -1.776 1
1 281 . 25 1 1 A 43 43 HIS HA H 43 4.210 5.546 -1.336 1
1 286 . 25 1 1 A 44 44 SER H H 44 8.430 8.485 -0.055 1
1 287 . 25 1 1 A 44 44 SER HA H 44 4.010 3.363 0.647 1
1 290 . 25 1 1 A 45 45 CYS H H 45 8.050 7.842 0.208 1
1 291 . 25 1 1 A 45 45 CYS HA H 45 4.880 4.881 -0.001 1
1 294 . 25 1 1 A 46 46 ALA H H 46 8.400 8.092 0.308 1
1 295 . 25 1 1 A 46 46 ALA HA H 46 2.370 3.295 -0.925 1
1 299 . 25 1 1 A 47 47 GLY H H 47 8.270 8.308 -0.038 1
1 300 . 25 1 1 A 47 47 GLY HA2 H 47 3.730 3.880 -0.150 1
1 301 . 25 1 1 A 47 47 GLY HA3 H 47 3.790 3.888 -0.098 1
1 302 . 25 1 1 A 48 48 ASN H H 48 8.220 8.857 -0.637 1
1 303 . 25 1 1 A 48 48 ASN HA H 48 4.570 4.497 0.073 1
1 306 . 25 1 1 A 49 49 ARG H H 49 7.600 7.249 0.351 1
1 307 . 25 1 1 A 49 49 ARG HA H 49 4.600 4.448 0.152 1
1 315 . 25 1 1 A 50 50 GLY H H 50 8.120 7.420 0.700 1
1 316 . 25 1 1 A 50 50 GLY HA2 H 50 4.860 3.918 0.942 1
1 317 . 25 1 1 A 50 50 GLY HA3 H 50 3.410 4.023 -0.613 1
1 318 . 25 1 1 A 51 51 TRP H H 51 8.920 8.358 0.562 1
1 319 . 25 1 1 A 51 51 TRP HA H 51 4.470 5.339 -0.869 1
1 328 . 25 1 1 A 52 52 CYS H H 52 7.770 8.870 -1.100 1
1 329 . 25 1 1 A 52 52 CYS HA H 52 5.730 5.339 0.391 1
1 332 . 25 1 1 A 53 53 ARG H H 53 9.340 8.550 0.790 1
1 333 . 25 1 1 A 53 53 ARG HA H 53 4.460 4.565 -0.105 1
1 340 . 25 1 1 A 54 54 SER H H 54 8.320 8.436 -0.116 1
1 341 . 25 1 1 A 54 54 SER HA H 54 3.690 4.607 -0.917 1
1 344 . 25 1 1 A 55 55 LYS H H 55 6.760 7.831 -1.071 1
1 345 . 25 1 1 A 55 55 LYS HA H 55 4.290 4.722 -0.432 1
1 354 . 25 1 1 A 56 56 CYS H H 56 8.780 8.428 0.352 1
1 355 . 25 1 1 A 56 56 CYS HA H 56 4.690 5.228 -0.538 1
1 358 . 25 1 1 A 57 57 PHE H H 57 8.760 8.385 0.375 1
1 359 . 25 1 1 A 57 57 PHE HA H 57 4.910 4.807 0.103 1
1 367 . 25 1 1 A 58 58 ARG H H 58 8.590 8.862 -0.272 1
1 368 . 25 1 1 A 58 58 ARG HA H 58 4.080 4.146 -0.066 1
1 376 . 25 1 1 A 59 59 HIS H H 59 8.710 8.292 0.418 1
1 377 . 25 1 1 A 59 59 HIS HA H 59 4.790 4.258 0.532 1
1 382 . 25 1 1 A 60 60 GLU H H 60 7.750 7.968 -0.218 1
1 383 . 25 1 1 A 60 60 GLU HA H 60 5.220 4.837 0.383 1
1 388 . 25 1 1 A 61 61 TYR H H 61 9.180 8.812 0.368 1
1 389 . 25 1 1 A 61 61 TYR HA H 61 5.010 5.381 -0.371 1
1 396 . 25 1 1 A 62 62 VAL H H 62 8.490 8.843 -0.353 1
1 397 . 25 1 1 A 62 62 VAL HA H 62 4.020 4.442 -0.422 1
1 405 . 25 1 1 A 63 63 ASP H H 63 9.070 8.151 0.919 1
1 406 . 25 1 1 A 63 63 ASP HA H 63 5.140 4.895 0.245 1
1 409 . 25 1 1 A 64 64 THR H H 64 8.930 8.677 0.253 1
1 410 . 25 1 1 A 64 64 THR HA H 64 4.020 3.986 0.034 1
1 415 . 25 1 1 A 65 65 TYR H H 65 8.440 8.167 0.273 1
1 416 . 25 1 1 A 65 65 TYR HA H 65 4.330 4.221 0.109 1
1 423 . 25 1 1 A 66 66 TYR H H 66 8.010 8.309 -0.299 1
1 424 . 25 1 1 A 66 66 TYR HA H 66 4.280 4.479 -0.199 1
1 431 . 25 1 1 A 67 67 SER H H 67 7.770 8.371 -0.601 1
1 432 . 25 1 1 A 67 67 SER HA H 67 4.120 4.263 -0.143 1
1 435 . 25 1 1 A 68 68 ALA H H 68 8.010 7.904 0.106 1
1 436 . 25 1 1 A 68 68 ALA HA H 68 4.230 4.165 0.065 1
1 440 . 25 1 1 A 69 69 VAL H H 69 7.220 8.227 -1.007 1
1 441 . 25 1 1 A 69 69 VAL HA H 69 4.330 3.675 0.655 1
1 449 . 25 1 1 A 70 70 CYS H H 70 7.930 7.681 0.249 1
1 450 . 25 1 1 A 70 70 CYS HA H 70 4.680 4.190 0.490 1
1 453 . 25 1 1 A 71 71 GLY H H 71 7.540 7.555 -0.015 1
1 454 . 25 1 1 A 71 71 GLY HA2 H 71 3.420 3.937 -0.517 1
1 455 . 25 1 1 A 71 71 GLY HA3 H 71 4.030 3.941 0.089 1
1 456 . 25 1 1 A 72 72 ARG H H 72 8.410 8.489 -0.079 1
1 457 . 25 1 1 A 72 72 ARG HA H 72 4.170 3.812 0.358 1
1 465 . 25 1 1 A 73 73 TYR H H 73 7.500 7.438 0.062 1
1 466 . 25 1 1 A 73 73 TYR HA H 73 4.470 4.431 0.039 1
1 473 . 25 1 1 A 74 74 PHE H H 74 8.540 8.955 -0.415 1
1 474 . 25 1 1 A 74 74 PHE HA H 74 4.560 5.009 -0.449 1
1 482 . 25 1 1 A 75 75 CYS H H 75 9.110 8.995 0.115 1
1 483 . 25 1 1 A 75 75 CYS HA H 75 4.840 5.111 -0.271 1
1 486 . 25 1 1 A 76 76 CYS H H 76 8.730 8.446 0.284 1
1 487 . 25 1 1 A 76 76 CYS HA H 76 5.080 4.966 0.114 1
1 490 . 25 1 1 A 77 77 ARG H H 77 8.930 7.782 1.148 1
1 491 . 25 1 1 A 77 77 ARG HA H 77 4.770 4.728 0.042 1
1 499 . 25 1 1 A 78 78 SER H H 78 8.770 8.807 -0.037 1
1 500 . 25 1 1 A 78 78 SER HA H 78 4.760 5.166 -0.406 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 74 0.520 1
5 1 1 1 "RMS(OBS, PRED)" HA 83 0.391 1
6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 74 0.518 1
11 1 2 1 "RMS(OBS, PRED)" HA 83 0.382 1
12 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 74 0.537 1
17 1 3 1 "RMS(OBS, PRED)" HA 83 0.399 1
18 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 74 0.510 1
23 1 4 1 "RMS(OBS, PRED)" HA 83 0.383 1
24 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 74 0.559 1
29 1 5 1 "RMS(OBS, PRED)" HA 83 0.394 1
30 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 74 0.539 1
35 1 6 1 "RMS(OBS, PRED)" HA 83 0.412 1
36 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 74 0.505 1
41 1 7 1 "RMS(OBS, PRED)" HA 83 0.389 1
42 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 74 0.520 1
47 1 8 1 "RMS(OBS, PRED)" HA 83 0.371 1
48 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 74 0.510 1
53 1 9 1 "RMS(OBS, PRED)" HA 83 0.390 1
54 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 74 0.514 1
59 1 10 1 "RMS(OBS, PRED)" HA 83 0.404 1
60 1 10 1 "RMS(OBS, PRED)" N 0 0.000 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 74 0.505 1
65 1 11 1 "RMS(OBS, PRED)" HA 83 0.403 1
66 1 11 1 "RMS(OBS, PRED)" N 0 0.000 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 74 0.539 1
71 1 12 1 "RMS(OBS, PRED)" HA 83 0.383 1
72 1 12 1 "RMS(OBS, PRED)" N 0 0.000 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 74 0.537 1
77 1 13 1 "RMS(OBS, PRED)" HA 83 0.377 1
78 1 13 1 "RMS(OBS, PRED)" N 0 0.000 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 74 0.497 1
83 1 14 1 "RMS(OBS, PRED)" HA 83 0.375 1
84 1 14 1 "RMS(OBS, PRED)" N 0 0.000 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 74 0.533 1
89 1 15 1 "RMS(OBS, PRED)" HA 83 0.372 1
90 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 74 0.500 1
95 1 16 1 "RMS(OBS, PRED)" HA 83 0.388 1
96 1 16 1 "RMS(OBS, PRED)" N 0 0.000 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 74 0.508 1
101 1 17 1 "RMS(OBS, PRED)" HA 83 0.386 1
102 1 17 1 "RMS(OBS, PRED)" N 0 0.000 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 74 0.511 1
107 1 18 1 "RMS(OBS, PRED)" HA 83 0.379 1
108 1 18 1 "RMS(OBS, PRED)" N 0 0.000 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 74 0.531 1
113 1 19 1 "RMS(OBS, PRED)" HA 83 0.373 1
114 1 19 1 "RMS(OBS, PRED)" N 0 0.000 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 74 0.524 1
119 1 20 1 "RMS(OBS, PRED)" HA 83 0.395 1
120 1 20 1 "RMS(OBS, PRED)" N 0 0.000 1
121 1 21 1 "RMS(OBS, PRED)" C 0 0.000 1
122 1 21 1 "RMS(OBS, PRED)" CA 0 0.000 1
123 1 21 1 "RMS(OBS, PRED)" CB 0 0.000 1
124 1 21 1 "RMS(OBS, PRED)" H 74 0.500 1
125 1 21 1 "RMS(OBS, PRED)" HA 83 0.366 1
126 1 21 1 "RMS(OBS, PRED)" N 0 0.000 1
127 1 22 1 "RMS(OBS, PRED)" C 0 0.000 1
128 1 22 1 "RMS(OBS, PRED)" CA 0 0.000 1
129 1 22 1 "RMS(OBS, PRED)" CB 0 0.000 1
130 1 22 1 "RMS(OBS, PRED)" H 74 0.533 1
131 1 22 1 "RMS(OBS, PRED)" HA 83 0.393 1
132 1 22 1 "RMS(OBS, PRED)" N 0 0.000 1
133 1 23 1 "RMS(OBS, PRED)" C 0 0.000 1
134 1 23 1 "RMS(OBS, PRED)" CA 0 0.000 1
135 1 23 1 "RMS(OBS, PRED)" CB 0 0.000 1
136 1 23 1 "RMS(OBS, PRED)" H 74 0.504 1
137 1 23 1 "RMS(OBS, PRED)" HA 83 0.381 1
138 1 23 1 "RMS(OBS, PRED)" N 0 0.000 1
139 1 24 1 "RMS(OBS, PRED)" C 0 0.000 1
140 1 24 1 "RMS(OBS, PRED)" CA 0 0.000 1
141 1 24 1 "RMS(OBS, PRED)" CB 0 0.000 1
142 1 24 1 "RMS(OBS, PRED)" H 74 0.523 1
143 1 24 1 "RMS(OBS, PRED)" HA 83 0.379 1
144 1 24 1 "RMS(OBS, PRED)" N 0 0.000 1
145 1 25 1 "RMS(OBS, PRED)" C 0 0.000 1
146 1 25 1 "RMS(OBS, PRED)" CA 0 0.000 1
147 1 25 1 "RMS(OBS, PRED)" CB 0 0.000 1
148 1 25 1 "RMS(OBS, PRED)" H 74 0.508 1
149 1 25 1 "RMS(OBS, PRED)" HA 83 0.404 1
150 1 25 1 "RMS(OBS, PRED)" N 0 0.000 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 PRO HA H 2 4.500 4.658 -0.158 2
1 8 . 1 1 A 3 3 LEU H H 3 8.160 8.429 -0.269 2
1 9 . 1 1 A 3 3 LEU HA H 3 4.350 4.584 -0.234 2
1 19 . 1 1 A 4 4 ILE H H 4 8.160 8.354 -0.194 2
1 20 . 1 1 A 4 4 ILE HA H 4 4.030 4.240 -0.210 2
1 30 . 1 1 A 5 5 PRO HA H 5 4.360 4.522 -0.162 2
1 37 . 1 1 A 6 6 ALA H H 6 8.320 8.323 -0.003 2
1 38 . 1 1 A 6 6 ALA HA H 6 4.000 4.085 -0.085 2
1 42 . 1 1 A 7 7 ILE H H 7 7.720 7.765 -0.045 2
1 43 . 1 1 A 7 7 ILE HA H 7 3.880 3.617 0.263 2
1 53 . 1 1 A 8 8 TYR H H 8 7.530 7.791 -0.261 2
1 54 . 1 1 A 8 8 TYR HA H 8 4.230 4.417 -0.187 2
1 61 . 1 1 A 9 9 ILE H H 9 7.350 7.639 -0.289 2
1 62 . 1 1 A 9 9 ILE HA H 9 3.620 4.543 -0.923 2
1 72 . 1 1 A 10 10 GLY H H 10 8.200 8.796 -0.596 2
1 73 . 1 1 A 10 10 GLY HA2 H 10 4.000 3.906 0.094 2
1 74 . 1 1 A 10 10 GLY HA3 H 10 4.130 3.918 0.212 2
1 75 . 1 1 A 11 11 ALA H H 11 8.130 7.466 0.664 2
1 76 . 1 1 A 11 11 ALA HA H 11 4.400 4.922 -0.522 2
1 80 . 1 1 A 12 12 THR H H 12 8.130 8.685 -0.555 2
1 81 . 1 1 A 12 12 THR HA H 12 4.970 5.344 -0.374 2
1 86 . 1 1 A 13 13 VAL H H 13 8.690 8.463 0.227 2
1 87 . 1 1 A 13 13 VAL HA H 13 4.690 4.402 0.288 2
1 95 . 1 1 A 14 14 GLY H H 14 8.440 8.448 -0.008 2
1 96 . 1 1 A 14 14 GLY HA2 H 14 4.360 4.085 0.275 2
1 97 . 1 1 A 14 14 GLY HA3 H 14 3.580 4.161 -0.581 2
1 98 . 1 1 A 15 15 PRO HA H 15 4.120 4.390 -0.270 2
1 105 . 1 1 A 16 16 SER H H 16 8.880 8.214 0.666 2
1 106 . 1 1 A 16 16 SER HA H 16 4.380 4.270 0.110 2
1 109 . 1 1 A 17 17 VAL H H 17 7.260 8.033 -0.773 2
1 110 . 1 1 A 17 17 VAL HA H 17 3.940 3.626 0.314 2
1 118 . 1 1 A 18 18 TRP H H 18 8.840 8.041 0.799 2
1 119 . 1 1 A 18 18 TRP HA H 18 3.810 4.106 -0.296 2
1 125 . 1 1 A 19 19 ALA H H 19 7.940 8.231 -0.291 2
1 126 . 1 1 A 19 19 ALA HA H 19 3.950 4.016 -0.066 2
1 130 . 1 1 A 20 20 TYR H H 20 7.500 7.792 -0.292 2
1 131 . 1 1 A 20 20 TYR HA H 20 4.260 4.166 0.094 2
1 138 . 1 1 A 21 21 LEU H H 21 8.100 8.061 0.039 2
1 139 . 1 1 A 21 21 LEU HA H 21 3.380 3.877 -0.497 2
1 149 . 1 1 A 22 22 VAL H H 22 8.390 7.792 0.598 2
1 150 . 1 1 A 22 22 VAL HA H 22 2.820 3.351 -0.531 2
1 158 . 1 1 A 23 23 ALA H H 23 7.530 7.923 -0.393 2
1 159 . 1 1 A 23 23 ALA HA H 23 3.980 3.897 0.083 2
1 163 . 1 1 A 24 24 LEU H H 24 7.510 7.516 -0.006 2
1 164 . 1 1 A 24 24 LEU HA H 24 3.980 3.971 0.009 2
1 174 . 1 1 A 25 25 VAL H H 25 7.780 7.741 0.039 2
1 175 . 1 1 A 25 25 VAL HA H 25 4.550 4.306 0.244 2
1 183 . 1 1 A 26 26 GLY H H 26 7.790 7.296 0.494 2
1 184 . 1 1 A 26 26 GLY HA2 H 26 3.890 3.997 -0.107 2
1 185 . 1 1 A 26 26 GLY HA3 H 26 4.430 4.018 0.412 2
1 186 . 1 1 A 27 27 ALA H H 27 8.630 8.879 -0.249 2
1 187 . 1 1 A 27 27 ALA HA H 27 3.700 4.011 -0.311 2
1 191 . 1 1 A 28 28 ALA H H 28 8.490 7.951 0.539 2
1 192 . 1 1 A 28 28 ALA HA H 28 4.070 4.099 -0.029 2
1 196 . 1 1 A 29 29 ALA H H 29 8.220 8.087 0.133 2
1 197 . 1 1 A 29 29 ALA HA H 29 4.100 4.106 -0.006 2
1 201 . 1 1 A 30 30 VAL H H 30 7.230 7.688 -0.458 2
1 202 . 1 1 A 30 30 VAL HA H 30 3.280 3.610 -0.330 2
1 210 . 1 1 A 31 31 THR H H 31 8.100 7.745 0.355 2
1 211 . 1 1 A 31 31 THR HA H 31 4.150 4.248 -0.098 2
1 216 . 1 1 A 32 32 ALA H H 32 8.150 7.844 0.306 2
1 217 . 1 1 A 32 32 ALA HA H 32 4.220 4.213 0.007 2
1 221 . 1 1 A 33 33 ALA H H 33 7.240 7.484 -0.244 2
1 222 . 1 1 A 33 33 ALA HA H 33 4.470 4.375 0.095 2
1 226 . 1 1 A 34 34 ASN H H 34 8.240 8.092 0.148 2
1 227 . 1 1 A 34 34 ASN HA H 34 4.440 4.428 0.012 2
1 230 . 1 1 A 35 35 ILE H H 35 6.980 7.720 -0.740 2
1 231 . 1 1 A 35 35 ILE HA H 35 4.660 4.620 0.040 2
1 241 . 1 1 A 36 36 ARG H H 36 8.830 8.864 -0.034 2
1 242 . 1 1 A 36 36 ARG HA H 36 4.640 4.773 -0.133 2
1 250 . 1 1 A 37 37 ARG H H 37 8.250 8.380 -0.130 2
1 251 . 1 1 A 37 37 ARG HA H 37 4.450 5.063 -0.613 2
1 259 . 1 1 A 38 38 ALA H H 38 8.960 8.078 0.882 2
1 260 . 1 1 A 38 38 ALA HA H 38 4.680 4.717 -0.037 2
1 264 . 1 1 A 39 39 SER H H 39 8.580 8.692 -0.112 2
1 265 . 1 1 A 39 39 SER HA H 39 4.200 4.207 -0.007 2
1 268 . 1 1 A 40 40 SER H H 40 7.890 7.765 0.125 2
1 269 . 1 1 A 40 40 SER HA H 40 4.650 4.699 -0.049 2
1 272 . 1 1 A 41 41 ASP H H 41 8.350 8.641 -0.291 2
1 273 . 1 1 A 41 41 ASP HA H 41 4.470 4.641 -0.171 2
1 276 . 1 1 A 42 42 ASN H H 42 8.000 7.629 0.371 2
1 277 . 1 1 A 42 42 ASN HA H 42 4.680 4.889 -0.209 2
1 280 . 1 1 A 43 43 HIS H H 43 6.580 8.266 -1.686 2
1 281 . 1 1 A 43 43 HIS HA H 43 4.210 5.562 -1.352 2
1 286 . 1 1 A 44 44 SER H H 44 8.430 8.560 -0.130 2
1 287 . 1 1 A 44 44 SER HA H 44 4.010 3.599 0.411 2
1 290 . 1 1 A 45 45 CYS H H 45 8.050 7.889 0.161 2
1 291 . 1 1 A 45 45 CYS HA H 45 4.880 4.840 0.040 2
1 294 . 1 1 A 46 46 ALA H H 46 8.400 7.921 0.479 2
1 295 . 1 1 A 46 46 ALA HA H 46 2.370 3.335 -0.965 2
1 299 . 1 1 A 47 47 GLY H H 47 8.270 8.240 0.030 2
1 300 . 1 1 A 47 47 GLY HA2 H 47 3.730 3.867 -0.137 2
1 301 . 1 1 A 47 47 GLY HA3 H 47 3.790 3.877 -0.087 2
1 302 . 1 1 A 48 48 ASN H H 48 8.220 8.734 -0.514 2
1 303 . 1 1 A 48 48 ASN HA H 48 4.570 4.655 -0.085 2
1 306 . 1 1 A 49 49 ARG H H 49 7.600 7.437 0.163 2
1 307 . 1 1 A 49 49 ARG HA H 49 4.600 4.445 0.155 2
1 315 . 1 1 A 50 50 GLY H H 50 8.120 7.429 0.691 2
1 316 . 1 1 A 50 50 GLY HA2 H 50 4.860 3.960 0.900 2
1 317 . 1 1 A 50 50 GLY HA3 H 50 3.410 4.061 -0.651 2
1 318 . 1 1 A 51 51 TRP H H 51 8.920 8.347 0.573 2
1 319 . 1 1 A 51 51 TRP HA H 51 4.470 5.369 -0.899 2
1 328 . 1 1 A 52 52 CYS H H 52 7.770 8.911 -1.141 2
1 329 . 1 1 A 52 52 CYS HA H 52 5.730 5.513 0.217 2
1 332 . 1 1 A 53 53 ARG H H 53 9.340 8.476 0.864 2
1 333 . 1 1 A 53 53 ARG HA H 53 4.460 4.700 -0.240 2
1 340 . 1 1 A 54 54 SER H H 54 8.320 8.616 -0.296 2
1 341 . 1 1 A 54 54 SER HA H 54 3.690 4.056 -0.366 2
1 344 . 1 1 A 55 55 LYS H H 55 6.760 7.661 -0.901 2
1 345 . 1 1 A 55 55 LYS HA H 55 4.290 4.718 -0.428 2
1 354 . 1 1 A 56 56 CYS H H 56 8.780 8.607 0.173 2
1 355 . 1 1 A 56 56 CYS HA H 56 4.690 4.998 -0.308 2
1 358 . 1 1 A 57 57 PHE H H 57 8.760 8.553 0.207 2
1 359 . 1 1 A 57 57 PHE HA H 57 4.910 4.810 0.100 2
1 367 . 1 1 A 58 58 ARG H H 58 8.590 9.094 -0.504 2
1 368 . 1 1 A 58 58 ARG HA H 58 4.080 4.140 -0.060 2
1 376 . 1 1 A 59 59 HIS H H 59 8.710 8.127 0.583 2
1 377 . 1 1 A 59 59 HIS HA H 59 4.790 4.424 0.366 2
1 382 . 1 1 A 60 60 GLU H H 60 7.750 7.802 -0.052 2
1 383 . 1 1 A 60 60 GLU HA H 60 5.220 4.992 0.228 2
1 388 . 1 1 A 61 61 TYR H H 61 9.180 8.803 0.377 2
1 389 . 1 1 A 61 61 TYR HA H 61 5.010 5.367 -0.357 2
1 396 . 1 1 A 62 62 VAL H H 62 8.490 8.743 -0.253 2
1 397 . 1 1 A 62 62 VAL HA H 62 4.020 4.398 -0.378 2
1 405 . 1 1 A 63 63 ASP H H 63 9.070 8.166 0.904 2
1 406 . 1 1 A 63 63 ASP HA H 63 5.140 4.841 0.299 2
1 409 . 1 1 A 64 64 THR H H 64 8.930 8.621 0.309 2
1 410 . 1 1 A 64 64 THR HA H 64 4.020 3.993 0.027 2
1 415 . 1 1 A 65 65 TYR H H 65 8.440 8.072 0.368 2
1 416 . 1 1 A 65 65 TYR HA H 65 4.330 4.236 0.094 2
1 423 . 1 1 A 66 66 TYR H H 66 8.010 8.264 -0.254 2
1 424 . 1 1 A 66 66 TYR HA H 66 4.280 4.490 -0.210 2
1 431 . 1 1 A 67 67 SER H H 67 7.770 8.254 -0.484 2
1 432 . 1 1 A 67 67 SER HA H 67 4.120 4.333 -0.213 2
1 435 . 1 1 A 68 68 ALA H H 68 8.010 7.911 0.099 2
1 436 . 1 1 A 68 68 ALA HA H 68 4.230 4.163 0.067 2
1 440 . 1 1 A 69 69 VAL H H 69 7.220 8.069 -0.849 2
1 441 . 1 1 A 69 69 VAL HA H 69 4.330 3.858 0.472 2
1 449 . 1 1 A 70 70 CYS H H 70 7.930 7.663 0.267 2
1 450 . 1 1 A 70 70 CYS HA H 70 4.680 4.257 0.423 2
1 453 . 1 1 A 71 71 GLY H H 71 7.540 7.685 -0.145 2
1 454 . 1 1 A 71 71 GLY HA2 H 71 3.420 4.003 -0.583 2
1 455 . 1 1 A 71 71 GLY HA3 H 71 4.030 4.031 -0.001 2
1 456 . 1 1 A 72 72 ARG H H 72 8.410 8.483 -0.073 2
1 457 . 1 1 A 72 72 ARG HA H 72 4.170 3.954 0.216 2
1 465 . 1 1 A 73 73 TYR H H 73 7.500 7.756 -0.256 2
1 466 . 1 1 A 73 73 TYR HA H 73 4.470 4.458 0.012 2
1 473 . 1 1 A 74 74 PHE H H 74 8.540 8.696 -0.156 2
1 474 . 1 1 A 74 74 PHE HA H 74 4.560 5.028 -0.468 2
1 482 . 1 1 A 75 75 CYS H H 75 9.110 8.985 0.125 2
1 483 . 1 1 A 75 75 CYS HA H 75 4.840 5.166 -0.326 2
1 486 . 1 1 A 76 76 CYS H H 76 8.730 8.547 0.183 2
1 487 . 1 1 A 76 76 CYS HA H 76 5.080 5.085 -0.005 2
1 490 . 1 1 A 77 77 ARG H H 77 8.930 7.856 1.074 2
1 491 . 1 1 A 77 77 ARG HA H 77 4.770 4.839 -0.069 2
1 499 . 1 1 A 78 78 SER H H 78 8.770 8.814 -0.044 2
1 500 . 1 1 A 78 78 SER HA H 78 4.760 5.189 -0.429 2
stop_
save_