data_15951_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15951
_Entry.PDB_ID 2K8J
_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 30
_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 13 . 1 1 1 X 2 2 LEU H H 2 8.470 7.950 0.520 1
1 14 . 1 1 1 X 2 2 LEU HA H 2 4.500 3.921 0.579 1
1 23 . 1 1 1 X 2 2 LEU CA C 2 56.340 55.484 0.856 1
1 24 . 1 1 1 X 2 2 LEU CB C 2 43.690 40.816 2.874 1
1 25 . 1 1 1 X 3 3 VAL H H 3 7.780 7.652 0.128 1
1 26 . 1 1 1 X 3 3 VAL HA H 3 4.550 4.336 0.214 1
1 34 . 1 1 1 X 3 3 VAL CA C 3 60.380 61.002 -0.622 1
1 35 . 1 1 1 X 3 3 VAL CB C 3 33.980 31.445 2.535 1
1 38 . 1 1 1 X 4 4 PRO HA H 4 4.370 4.607 -0.237 1
1 45 . 1 1 1 X 4 4 PRO CA C 4 64.800 62.979 1.821 1
1 46 . 1 1 1 X 4 4 PRO CB C 4 32.660 30.154 2.506 1
1 49 . 1 1 1 X 5 5 GLY H H 5 8.150 8.109 0.041 1
1 50 . 1 1 1 X 5 5 GLY HA2 H 5 4.030 3.965 0.065 1
1 51 . 1 1 1 X 5 5 GLY HA3 H 5 3.900 4.048 -0.148 1
1 52 . 1 1 1 X 5 5 GLY CA C 5 46.820 45.378 1.442 1
1 53 . 1 1 1 X 6 6 ALA H H 6 7.850 8.242 -0.392 1
1 54 . 1 1 1 X 6 6 ALA HA H 6 4.240 4.028 0.212 1
1 58 . 1 1 1 X 6 6 ALA CA C 6 54.770 55.124 -0.354 1
1 59 . 1 1 1 X 6 6 ALA CB C 6 19.380 18.575 0.805 1
1 60 . 1 1 1 X 7 7 ALA H H 7 7.920 7.940 -0.020 1
1 61 . 1 1 1 X 7 7 ALA HA H 7 4.140 4.664 -0.524 1
1 65 . 1 1 1 X 7 7 ALA CA C 7 55.100 51.529 3.571 1
1 66 . 1 1 1 X 7 7 ALA CB C 7 18.850 18.833 0.017 1
1 67 . 1 1 1 X 8 8 TYR H H 8 7.580 7.990 -0.410 1
1 68 . 1 1 1 X 8 8 TYR HA H 8 4.370 4.575 -0.205 1
1 75 . 1 1 1 X 8 8 TYR CA C 8 60.430 59.806 0.624 1
1 76 . 1 1 1 X 8 8 TYR CB C 8 39.010 39.380 -0.370 1
1 81 . 1 1 1 X 9 9 ALA H H 9 7.730 8.270 -0.540 1
1 82 . 1 1 1 X 9 9 ALA HA H 9 4.210 4.194 0.016 1
1 86 . 1 1 1 X 9 9 ALA CA C 9 55.020 55.354 -0.334 1
1 87 . 1 1 1 X 9 9 ALA CB C 9 19.180 18.056 1.124 1
1 88 . 1 1 1 X 10 10 LEU H H 10 7.760 8.256 -0.496 1
1 89 . 1 1 1 X 10 10 LEU HA H 10 4.240 4.073 0.167 1
1 98 . 1 1 1 X 10 10 LEU CA C 10 57.200 57.926 -0.726 1
1 99 . 1 1 1 X 10 10 LEU CB C 10 43.090 41.684 1.406 1
1 100 . 1 1 1 X 11 11 TYR HA H 11 4.450 4.469 -0.019 1
1 107 . 1 1 1 X 11 11 TYR CA C 11 60.160 60.998 -0.838 1
1 108 . 1 1 1 X 11 11 TYR CB C 11 39.420 38.380 1.040 1
1 113 . 1 1 1 X 12 12 GLY H H 12 7.910 8.488 -0.578 1
1 114 . 1 1 1 X 12 12 GLY HA2 H 12 3.900 4.067 -0.167 1
1 115 . 1 1 1 X 12 12 GLY HA3 H 12 3.900 4.076 -0.176 1
1 116 . 1 1 1 X 12 12 GLY CA C 12 46.720 45.728 0.992 1
1 117 . 1 1 1 X 13 13 VAL H H 13 7.650 7.525 0.125 1
1 118 . 1 1 1 X 13 13 VAL HA H 13 4.330 4.225 0.105 1
1 126 . 1 1 1 X 13 13 VAL CA C 13 62.930 64.304 -1.374 1
1 127 . 1 1 1 X 13 13 VAL CB C 13 33.510 32.974 0.536 1
1 130 . 1 1 1 X 14 14 TRP H H 14 7.780 8.229 -0.449 1
1 131 . 1 1 1 X 14 14 TRP HA H 14 4.800 4.424 0.376 1
1 140 . 1 1 1 X 14 14 TRP CB C 14 29.030 27.896 1.134 1
1 146 . 1 1 1 X 15 15 PRO HA H 15 4.190 4.037 0.153 1
1 153 . 1 1 1 X 15 15 PRO CA C 15 66.860 65.516 1.344 1
1 154 . 1 1 1 X 15 15 PRO CB C 15 31.920 30.977 0.943 1
1 157 . 1 1 1 X 16 16 LEU H H 16 7.110 7.671 -0.561 1
1 158 . 1 1 1 X 16 16 LEU HA H 16 4.180 4.026 0.154 1
1 167 . 1 1 1 X 16 16 LEU CA C 16 58.170 57.260 0.910 1
1 168 . 1 1 1 X 16 16 LEU CB C 16 42.760 42.145 0.615 1
1 169 . 1 1 1 X 17 17 LEU H H 17 7.700 7.884 -0.184 1
1 170 . 1 1 1 X 17 17 LEU HA H 17 4.030 3.958 0.072 1
1 179 . 1 1 1 X 17 17 LEU CA C 17 59.060 58.024 1.036 1
1 180 . 1 1 1 X 18 18 LEU H H 18 7.790 7.949 -0.159 1
1 181 . 1 1 1 X 18 18 LEU HA H 18 4.010 3.701 0.309 1
1 191 . 1 1 1 X 18 18 LEU CA C 18 58.910 57.739 1.171 1
1 192 . 1 1 1 X 18 18 LEU CB C 18 42.500 40.949 1.551 1
1 194 . 1 1 1 X 19 19 LEU H H 19 7.440 8.291 -0.851 1
1 195 . 1 1 1 X 19 19 LEU HA H 19 4.140 3.939 0.201 1
1 204 . 1 1 1 X 19 19 LEU CA C 19 58.860 57.886 0.974 1
1 205 . 1 1 1 X 19 19 LEU CB C 19 42.790 41.537 1.253 1
1 206 . 1 1 1 X 20 20 LEU H H 20 8.070 8.296 -0.226 1
1 207 . 1 1 1 X 20 20 LEU HA H 20 4.120 4.037 0.083 1
1 216 . 1 1 1 X 20 20 LEU CA C 20 58.590 57.733 0.857 1
1 217 . 1 1 1 X 20 20 LEU CB C 20 42.780 41.272 1.508 1
1 218 . 1 1 1 X 21 21 LEU H H 21 8.100 8.323 -0.223 1
1 219 . 1 1 1 X 21 21 LEU HA H 21 4.260 3.984 0.276 1
1 228 . 1 1 1 X 21 21 LEU CA C 21 57.160 57.884 -0.724 1
1 229 . 1 1 1 X 21 21 LEU CB C 21 43.230 41.374 1.856 1
1 230 . 1 1 1 X 22 22 ALA H H 22 7.790 7.268 0.522 1
1 231 . 1 1 1 X 22 22 ALA HA H 22 4.360 4.460 -0.100 1
1 235 . 1 1 1 X 22 22 ALA CA C 22 53.810 51.239 2.571 1
1 236 . 1 1 1 X 22 22 ALA CB C 22 19.990 19.126 0.864 1
1 237 . 1 1 1 X 23 23 LEU H H 23 7.620 7.246 0.374 1
1 238 . 1 1 1 X 23 23 LEU HA H 23 4.610 4.647 -0.037 1
1 248 . 1 1 1 X 23 23 LEU CA C 23 54.620 52.533 2.087 1
1 249 . 1 1 1 X 23 23 LEU CB C 23 42.710 44.061 -1.351 1
1 251 . 1 1 1 X 24 24 PRO HA H 24 4.710 4.717 -0.007 1
1 258 . 1 1 1 X 24 24 PRO CB C 24 31.470 32.047 -0.577 1
1 260 . 1 1 1 X 25 25 PRO HA H 25 4.360 4.538 -0.178 1
1 267 . 1 1 1 X 25 25 PRO CA C 25 64.800 62.172 2.628 1
1 268 . 1 1 1 X 25 25 PRO CB C 25 32.510 32.784 -0.274 1
1 270 . 1 1 1 X 26 26 ARG H H 26 7.830 8.580 -0.750 1
1 271 . 1 1 1 X 26 26 ARG HA H 26 4.260 3.973 0.287 1
1 279 . 1 1 1 X 26 26 ARG CA C 26 57.270 58.784 -1.514 1
1 280 . 1 1 1 X 26 26 ARG CB C 26 31.630 29.634 1.996 1
1 283 . 1 1 1 X 27 27 ALA H H 27 8.030 7.647 0.383 1
1 284 . 1 1 1 X 27 27 ALA HA H 27 4.270 4.413 -0.143 1
1 288 . 1 1 1 X 27 27 ALA CA C 27 53.880 51.438 2.442 1
1 289 . 1 1 1 X 27 27 ALA CB C 27 19.920 18.392 1.528 1
1 290 . 1 1 1 X 28 28 TYR H H 28 7.580 8.044 -0.464 1
1 291 . 1 1 1 X 28 28 TYR HA H 28 4.620 4.537 0.083 1
1 298 . 1 1 1 X 28 28 TYR CA C 28 58.240 59.389 -1.149 1
1 299 . 1 1 1 X 28 28 TYR CB C 28 39.910 37.494 2.416 1
1 13 . 2 1 1 X 2 2 LEU H H 2 8.470 8.498 -0.028 1
1 14 . 2 1 1 X 2 2 LEU HA H 2 4.500 4.863 -0.363 1
1 23 . 2 1 1 X 2 2 LEU CA C 2 56.340 53.933 2.407 1
1 24 . 2 1 1 X 2 2 LEU CB C 2 43.690 45.726 -2.036 1
1 25 . 2 1 1 X 3 3 VAL H H 3 7.780 8.727 -0.947 1
1 26 . 2 1 1 X 3 3 VAL HA H 3 4.550 4.891 -0.341 1
1 34 . 2 1 1 X 3 3 VAL CA C 3 60.380 57.894 2.486 1
1 35 . 2 1 1 X 3 3 VAL CB C 3 33.980 33.784 0.196 1
1 38 . 2 1 1 X 4 4 PRO HA H 4 4.370 4.780 -0.410 1
1 45 . 2 1 1 X 4 4 PRO CA C 4 64.800 62.055 2.745 1
1 46 . 2 1 1 X 4 4 PRO CB C 4 32.660 33.213 -0.553 1
1 49 . 2 1 1 X 5 5 GLY H H 5 8.150 8.862 -0.712 1
1 50 . 2 1 1 X 5 5 GLY HA2 H 5 4.030 3.950 0.080 1
1 51 . 2 1 1 X 5 5 GLY HA3 H 5 3.900 4.134 -0.234 1
1 52 . 2 1 1 X 5 5 GLY CA C 5 46.820 47.073 -0.253 1
1 53 . 2 1 1 X 6 6 ALA H H 6 7.850 8.055 -0.205 1
1 54 . 2 1 1 X 6 6 ALA HA H 6 4.240 4.056 0.184 1
1 58 . 2 1 1 X 6 6 ALA CA C 6 54.770 54.792 -0.022 1
1 59 . 2 1 1 X 6 6 ALA CB C 6 19.380 18.566 0.814 1
1 60 . 2 1 1 X 7 7 ALA H H 7 7.920 7.463 0.457 1
1 61 . 2 1 1 X 7 7 ALA HA H 7 4.140 4.577 -0.437 1
1 65 . 2 1 1 X 7 7 ALA CA C 7 55.100 51.698 3.402 1
1 66 . 2 1 1 X 7 7 ALA CB C 7 18.850 18.880 -0.030 1
1 67 . 2 1 1 X 8 8 TYR H H 8 7.580 8.004 -0.424 1
1 68 . 2 1 1 X 8 8 TYR HA H 8 4.370 4.703 -0.333 1
1 75 . 2 1 1 X 8 8 TYR CA C 8 60.430 59.601 0.829 1
1 76 . 2 1 1 X 8 8 TYR CB C 8 39.010 39.473 -0.463 1
1 81 . 2 1 1 X 9 9 ALA H H 9 7.730 8.174 -0.444 1
1 82 . 2 1 1 X 9 9 ALA HA H 9 4.210 4.178 0.032 1
1 86 . 2 1 1 X 9 9 ALA CA C 9 55.020 55.300 -0.280 1
1 87 . 2 1 1 X 9 9 ALA CB C 9 19.180 17.924 1.256 1
1 88 . 2 1 1 X 10 10 LEU H H 10 7.760 8.252 -0.492 1
1 89 . 2 1 1 X 10 10 LEU HA H 10 4.240 4.094 0.146 1
1 98 . 2 1 1 X 10 10 LEU CA C 10 57.200 58.109 -0.909 1
1 99 . 2 1 1 X 10 10 LEU CB C 10 43.090 41.772 1.318 1
1 100 . 2 1 1 X 11 11 TYR HA H 11 4.450 4.449 0.001 1
1 107 . 2 1 1 X 11 11 TYR CA C 11 60.160 61.180 -1.020 1
1 108 . 2 1 1 X 11 11 TYR CB C 11 39.420 36.963 2.457 1
1 113 . 2 1 1 X 12 12 GLY H H 12 7.910 8.010 -0.100 1
1 114 . 2 1 1 X 12 12 GLY HA2 H 12 3.900 3.689 0.211 1
1 115 . 2 1 1 X 12 12 GLY HA3 H 12 3.900 3.711 0.189 1
1 116 . 2 1 1 X 12 12 GLY CA C 12 46.720 47.196 -0.476 1
1 117 . 2 1 1 X 13 13 VAL H H 13 7.650 7.774 -0.124 1
1 118 . 2 1 1 X 13 13 VAL HA H 13 4.330 4.097 0.233 1
1 126 . 2 1 1 X 13 13 VAL CA C 13 62.930 64.603 -1.673 1
1 127 . 2 1 1 X 13 13 VAL CB C 13 33.510 31.727 1.783 1
1 130 . 2 1 1 X 14 14 TRP H H 14 7.780 7.741 0.039 1
1 131 . 2 1 1 X 14 14 TRP HA H 14 4.800 4.401 0.399 1
1 140 . 2 1 1 X 14 14 TRP CB C 14 29.030 27.924 1.106 1
1 146 . 2 1 1 X 15 15 PRO HA H 15 4.190 4.028 0.162 1
1 153 . 2 1 1 X 15 15 PRO CA C 15 66.860 65.563 1.297 1
1 154 . 2 1 1 X 15 15 PRO CB C 15 31.920 30.827 1.093 1
1 157 . 2 1 1 X 16 16 LEU H H 16 7.110 7.613 -0.503 1
1 158 . 2 1 1 X 16 16 LEU HA H 16 4.180 3.950 0.230 1
1 167 . 2 1 1 X 16 16 LEU CA C 16 58.170 57.558 0.612 1
1 168 . 2 1 1 X 16 16 LEU CB C 16 42.760 41.908 0.852 1
1 169 . 2 1 1 X 17 17 LEU H H 17 7.700 8.275 -0.575 1
1 170 . 2 1 1 X 17 17 LEU HA H 17 4.030 4.044 -0.014 1
1 179 . 2 1 1 X 17 17 LEU CA C 17 59.060 57.811 1.249 1
1 180 . 2 1 1 X 18 18 LEU H H 18 7.790 8.209 -0.419 1
1 181 . 2 1 1 X 18 18 LEU HA H 18 4.010 3.701 0.309 1
1 191 . 2 1 1 X 18 18 LEU CA C 18 58.910 57.806 1.104 1
1 192 . 2 1 1 X 18 18 LEU CB C 18 42.500 40.825 1.675 1
1 194 . 2 1 1 X 19 19 LEU H H 19 7.440 8.246 -0.806 1
1 195 . 2 1 1 X 19 19 LEU HA H 19 4.140 3.922 0.218 1
1 204 . 2 1 1 X 19 19 LEU CA C 19 58.860 57.887 0.973 1
1 205 . 2 1 1 X 19 19 LEU CB C 19 42.790 41.546 1.244 1
1 206 . 2 1 1 X 20 20 LEU H H 20 8.070 8.396 -0.326 1
1 207 . 2 1 1 X 20 20 LEU HA H 20 4.120 3.970 0.150 1
1 216 . 2 1 1 X 20 20 LEU CA C 20 58.590 58.091 0.499 1
1 217 . 2 1 1 X 20 20 LEU CB C 20 42.780 41.355 1.425 1
1 218 . 2 1 1 X 21 21 LEU H H 21 8.100 8.250 -0.150 1
1 219 . 2 1 1 X 21 21 LEU HA H 21 4.260 3.969 0.291 1
1 228 . 2 1 1 X 21 21 LEU CA C 21 57.160 57.967 -0.807 1
1 229 . 2 1 1 X 21 21 LEU CB C 21 43.230 41.416 1.814 1
1 230 . 2 1 1 X 22 22 ALA H H 22 7.790 7.273 0.517 1
1 231 . 2 1 1 X 22 22 ALA HA H 22 4.360 4.450 -0.090 1
1 235 . 2 1 1 X 22 22 ALA CA C 22 53.810 51.001 2.809 1
1 236 . 2 1 1 X 22 22 ALA CB C 22 19.990 19.299 0.691 1
1 237 . 2 1 1 X 23 23 LEU H H 23 7.620 7.031 0.589 1
1 238 . 2 1 1 X 23 23 LEU HA H 23 4.610 4.611 -0.001 1
1 248 . 2 1 1 X 23 23 LEU CA C 23 54.620 52.999 1.621 1
1 249 . 2 1 1 X 23 23 LEU CB C 23 42.710 41.906 0.804 1
1 251 . 2 1 1 X 24 24 PRO HA H 24 4.710 4.805 -0.095 1
1 258 . 2 1 1 X 24 24 PRO CB C 24 31.470 32.014 -0.544 1
1 260 . 2 1 1 X 25 25 PRO HA H 25 4.360 4.689 -0.329 1
1 267 . 2 1 1 X 25 25 PRO CA C 25 64.800 62.647 2.153 1
1 268 . 2 1 1 X 25 25 PRO CB C 25 32.510 32.930 -0.420 1
1 270 . 2 1 1 X 26 26 ARG H H 26 7.830 8.854 -1.024 1
1 271 . 2 1 1 X 26 26 ARG HA H 26 4.260 4.473 -0.213 1
1 279 . 2 1 1 X 26 26 ARG CA C 26 57.270 55.609 1.661 1
1 280 . 2 1 1 X 26 26 ARG CB C 26 31.630 30.643 0.987 1
1 283 . 2 1 1 X 27 27 ALA H H 27 8.030 7.625 0.405 1
1 284 . 2 1 1 X 27 27 ALA HA H 27 4.270 4.356 -0.086 1
1 288 . 2 1 1 X 27 27 ALA CA C 27 53.880 51.062 2.818 1
1 289 . 2 1 1 X 27 27 ALA CB C 27 19.920 18.852 1.068 1
1 290 . 2 1 1 X 28 28 TYR H H 28 7.580 7.189 0.391 1
1 291 . 2 1 1 X 28 28 TYR HA H 28 4.620 4.724 -0.104 1
1 298 . 2 1 1 X 28 28 TYR CA C 28 58.240 57.386 0.854 1
1 299 . 2 1 1 X 28 28 TYR CB C 28 39.910 39.816 0.094 1
1 13 . 3 1 1 X 2 2 LEU H H 2 8.470 8.775 -0.305 1
1 14 . 3 1 1 X 2 2 LEU HA H 2 4.500 5.001 -0.501 1
1 23 . 3 1 1 X 2 2 LEU CA C 2 56.340 53.490 2.850 1
1 24 . 3 1 1 X 2 2 LEU CB C 2 43.690 46.431 -2.741 1
1 25 . 3 1 1 X 3 3 VAL H H 3 7.780 8.972 -1.192 1
1 26 . 3 1 1 X 3 3 VAL HA H 3 4.550 4.965 -0.415 1
1 34 . 3 1 1 X 3 3 VAL CA C 3 60.380 58.130 2.250 1
1 35 . 3 1 1 X 3 3 VAL CB C 3 33.980 34.497 -0.517 1
1 38 . 3 1 1 X 4 4 PRO HA H 4 4.370 4.534 -0.164 1
1 45 . 3 1 1 X 4 4 PRO CA C 4 64.800 62.139 2.661 1
1 46 . 3 1 1 X 4 4 PRO CB C 4 32.660 33.215 -0.555 1
1 49 . 3 1 1 X 5 5 GLY H H 5 8.150 8.643 -0.493 1
1 50 . 3 1 1 X 5 5 GLY HA2 H 5 4.030 3.642 0.388 1
1 51 . 3 1 1 X 5 5 GLY HA3 H 5 3.900 3.776 0.124 1
1 52 . 3 1 1 X 5 5 GLY CA C 5 46.820 46.683 0.137 1
1 53 . 3 1 1 X 6 6 ALA H H 6 7.850 8.047 -0.197 1
1 54 . 3 1 1 X 6 6 ALA HA H 6 4.240 4.044 0.196 1
1 58 . 3 1 1 X 6 6 ALA CA C 6 54.770 54.813 -0.043 1
1 59 . 3 1 1 X 6 6 ALA CB C 6 19.380 18.494 0.886 1
1 60 . 3 1 1 X 7 7 ALA H H 7 7.920 7.544 0.376 1
1 61 . 3 1 1 X 7 7 ALA HA H 7 4.140 4.379 -0.239 1
1 65 . 3 1 1 X 7 7 ALA CA C 7 55.100 52.688 2.412 1
1 66 . 3 1 1 X 7 7 ALA CB C 7 18.850 19.068 -0.218 1
1 67 . 3 1 1 X 8 8 TYR H H 8 7.580 8.098 -0.518 1
1 68 . 3 1 1 X 8 8 TYR HA H 8 4.370 4.497 -0.127 1
1 75 . 3 1 1 X 8 8 TYR CA C 8 60.430 60.433 -0.003 1
1 76 . 3 1 1 X 8 8 TYR CB C 8 39.010 39.142 -0.132 1
1 81 . 3 1 1 X 9 9 ALA H H 9 7.730 7.701 0.029 1
1 82 . 3 1 1 X 9 9 ALA HA H 9 4.210 4.326 -0.116 1
1 86 . 3 1 1 X 9 9 ALA CA C 9 55.020 53.571 1.449 1
1 87 . 3 1 1 X 9 9 ALA CB C 9 19.180 18.588 0.592 1
1 88 . 3 1 1 X 10 10 LEU H H 10 7.760 7.897 -0.137 1
1 89 . 3 1 1 X 10 10 LEU HA H 10 4.240 4.436 -0.196 1
1 98 . 3 1 1 X 10 10 LEU CA C 10 57.200 57.053 0.147 1
1 99 . 3 1 1 X 10 10 LEU CB C 10 43.090 43.364 -0.274 1
1 100 . 3 1 1 X 11 11 TYR HA H 11 4.450 4.351 0.099 1
1 107 . 3 1 1 X 11 11 TYR CA C 11 60.160 61.017 -0.857 1
1 108 . 3 1 1 X 11 11 TYR CB C 11 39.420 37.038 2.382 1
1 113 . 3 1 1 X 12 12 GLY H H 12 7.910 8.336 -0.426 1
1 114 . 3 1 1 X 12 12 GLY HA2 H 12 3.900 3.841 0.059 1
1 115 . 3 1 1 X 12 12 GLY HA3 H 12 3.900 3.846 0.054 1
1 116 . 3 1 1 X 12 12 GLY CA C 12 46.720 46.755 -0.035 1
1 117 . 3 1 1 X 13 13 VAL H H 13 7.650 7.946 -0.296 1
1 118 . 3 1 1 X 13 13 VAL HA H 13 4.330 4.090 0.240 1
1 126 . 3 1 1 X 13 13 VAL CA C 13 62.930 62.776 0.154 1
1 127 . 3 1 1 X 13 13 VAL CB C 13 33.510 31.949 1.561 1
1 130 . 3 1 1 X 14 14 TRP H H 14 7.780 7.931 -0.151 1
1 131 . 3 1 1 X 14 14 TRP HA H 14 4.800 4.365 0.435 1
1 140 . 3 1 1 X 14 14 TRP CB C 14 29.030 27.967 1.063 1
1 146 . 3 1 1 X 15 15 PRO HA H 15 4.190 4.003 0.187 1
1 153 . 3 1 1 X 15 15 PRO CA C 15 66.860 65.488 1.372 1
1 154 . 3 1 1 X 15 15 PRO CB C 15 31.920 30.819 1.101 1
1 157 . 3 1 1 X 16 16 LEU H H 16 7.110 7.716 -0.606 1
1 158 . 3 1 1 X 16 16 LEU HA H 16 4.180 4.042 0.138 1
1 167 . 3 1 1 X 16 16 LEU CA C 16 58.170 57.501 0.669 1
1 168 . 3 1 1 X 16 16 LEU CB C 16 42.760 41.689 1.071 1
1 169 . 3 1 1 X 17 17 LEU H H 17 7.700 7.806 -0.106 1
1 170 . 3 1 1 X 17 17 LEU HA H 17 4.030 4.047 -0.017 1
1 179 . 3 1 1 X 17 17 LEU CA C 17 59.060 57.889 1.171 1
1 180 . 3 1 1 X 18 18 LEU H H 18 7.790 7.666 0.124 1
1 181 . 3 1 1 X 18 18 LEU HA H 18 4.010 3.819 0.191 1
1 191 . 3 1 1 X 18 18 LEU CA C 18 58.910 57.776 1.134 1
1 192 . 3 1 1 X 18 18 LEU CB C 18 42.500 41.046 1.454 1
1 194 . 3 1 1 X 19 19 LEU H H 19 7.440 8.404 -0.964 1
1 195 . 3 1 1 X 19 19 LEU HA H 19 4.140 3.945 0.195 1
1 204 . 3 1 1 X 19 19 LEU CA C 19 58.860 57.871 0.989 1
1 205 . 3 1 1 X 19 19 LEU CB C 19 42.790 41.505 1.285 1
1 206 . 3 1 1 X 20 20 LEU H H 20 8.070 8.079 -0.009 1
1 207 . 3 1 1 X 20 20 LEU HA H 20 4.120 4.007 0.113 1
1 216 . 3 1 1 X 20 20 LEU CA C 20 58.590 57.867 0.723 1
1 217 . 3 1 1 X 20 20 LEU CB C 20 42.780 41.818 0.962 1
1 218 . 3 1 1 X 21 21 LEU H H 21 8.100 8.594 -0.494 1
1 219 . 3 1 1 X 21 21 LEU HA H 21 4.260 3.999 0.261 1
1 228 . 3 1 1 X 21 21 LEU CA C 21 57.160 57.474 -0.314 1
1 229 . 3 1 1 X 21 21 LEU CB C 21 43.230 41.419 1.811 1
1 230 . 3 1 1 X 22 22 ALA H H 22 7.790 7.645 0.145 1
1 231 . 3 1 1 X 22 22 ALA HA H 22 4.360 4.322 0.038 1
1 235 . 3 1 1 X 22 22 ALA CA C 22 53.810 52.076 1.734 1
1 236 . 3 1 1 X 22 22 ALA CB C 22 19.990 18.923 1.067 1
1 237 . 3 1 1 X 23 23 LEU H H 23 7.620 7.120 0.500 1
1 238 . 3 1 1 X 23 23 LEU HA H 23 4.610 4.823 -0.213 1
1 248 . 3 1 1 X 23 23 LEU CA C 23 54.620 51.810 2.810 1
1 249 . 3 1 1 X 23 23 LEU CB C 23 42.710 43.110 -0.400 1
1 251 . 3 1 1 X 24 24 PRO HA H 24 4.710 4.628 0.082 1
1 258 . 3 1 1 X 24 24 PRO CB C 24 31.470 31.876 -0.406 1
1 260 . 3 1 1 X 25 25 PRO HA H 25 4.360 4.245 0.115 1
1 267 . 3 1 1 X 25 25 PRO CA C 25 64.800 65.308 -0.508 1
1 268 . 3 1 1 X 25 25 PRO CB C 25 32.510 32.047 0.463 1
1 270 . 3 1 1 X 26 26 ARG H H 26 7.830 7.707 0.123 1
1 271 . 3 1 1 X 26 26 ARG HA H 26 4.260 4.229 0.031 1
1 279 . 3 1 1 X 26 26 ARG CA C 26 57.270 58.714 -1.444 1
1 280 . 3 1 1 X 26 26 ARG CB C 26 31.630 31.214 0.416 1
1 283 . 3 1 1 X 27 27 ALA H H 27 8.030 7.968 0.062 1
1 284 . 3 1 1 X 27 27 ALA HA H 27 4.270 3.971 0.299 1
1 288 . 3 1 1 X 27 27 ALA CA C 27 53.880 52.892 0.988 1
1 289 . 3 1 1 X 27 27 ALA CB C 27 19.920 17.280 2.640 1
1 290 . 3 1 1 X 28 28 TYR H H 28 7.580 8.267 -0.687 1
1 291 . 3 1 1 X 28 28 TYR HA H 28 4.620 4.641 -0.021 1
1 298 . 3 1 1 X 28 28 TYR CA C 28 58.240 57.521 0.719 1
1 299 . 3 1 1 X 28 28 TYR CB C 28 39.910 39.689 0.221 1
1 13 . 4 1 1 X 2 2 LEU H H 2 8.470 8.712 -0.242 1
1 14 . 4 1 1 X 2 2 LEU HA H 2 4.500 4.867 -0.367 1
1 23 . 4 1 1 X 2 2 LEU CA C 2 56.340 54.260 2.080 1
1 24 . 4 1 1 X 2 2 LEU CB C 2 43.690 44.183 -0.493 1
1 25 . 4 1 1 X 3 3 VAL H H 3 7.780 8.863 -1.083 1
1 26 . 4 1 1 X 3 3 VAL HA H 3 4.550 4.525 0.025 1
1 34 . 4 1 1 X 3 3 VAL CA C 3 60.380 58.935 1.445 1
1 35 . 4 1 1 X 3 3 VAL CB C 3 33.980 35.696 -1.716 1
1 38 . 4 1 1 X 4 4 PRO HA H 4 4.370 3.471 0.899 1
1 45 . 4 1 1 X 4 4 PRO CA C 4 64.800 63.361 1.439 1
1 46 . 4 1 1 X 4 4 PRO CB C 4 32.660 31.043 1.617 1
1 49 . 4 1 1 X 5 5 GLY H H 5 8.150 8.501 -0.351 1
1 50 . 4 1 1 X 5 5 GLY HA2 H 5 4.030 3.888 0.142 1
1 51 . 4 1 1 X 5 5 GLY HA3 H 5 3.900 3.924 -0.024 1
1 52 . 4 1 1 X 5 5 GLY CA C 5 46.820 45.744 1.076 1
1 53 . 4 1 1 X 6 6 ALA H H 6 7.850 8.193 -0.343 1
1 54 . 4 1 1 X 6 6 ALA HA H 6 4.240 4.088 0.152 1
1 58 . 4 1 1 X 6 6 ALA CA C 6 54.770 54.888 -0.118 1
1 59 . 4 1 1 X 6 6 ALA CB C 6 19.380 18.792 0.588 1
1 60 . 4 1 1 X 7 7 ALA H H 7 7.920 8.097 -0.177 1
1 61 . 4 1 1 X 7 7 ALA HA H 7 4.140 4.270 -0.130 1
1 65 . 4 1 1 X 7 7 ALA CA C 7 55.100 55.112 -0.012 1
1 66 . 4 1 1 X 7 7 ALA CB C 7 18.850 18.505 0.345 1
1 67 . 4 1 1 X 8 8 TYR H H 8 7.580 7.697 -0.117 1
1 68 . 4 1 1 X 8 8 TYR HA H 8 4.370 4.394 -0.024 1
1 75 . 4 1 1 X 8 8 TYR CA C 8 60.430 61.099 -0.669 1
1 76 . 4 1 1 X 8 8 TYR CB C 8 39.010 37.745 1.265 1
1 81 . 4 1 1 X 9 9 ALA H H 9 7.730 7.964 -0.234 1
1 82 . 4 1 1 X 9 9 ALA HA H 9 4.210 4.304 -0.094 1
1 86 . 4 1 1 X 9 9 ALA CA C 9 55.020 53.662 1.358 1
1 87 . 4 1 1 X 9 9 ALA CB C 9 19.180 18.538 0.642 1
1 88 . 4 1 1 X 10 10 LEU H H 10 7.760 7.766 -0.006 1
1 89 . 4 1 1 X 10 10 LEU HA H 10 4.240 4.579 -0.339 1
1 98 . 4 1 1 X 10 10 LEU CA C 10 57.200 56.794 0.406 1
1 99 . 4 1 1 X 10 10 LEU CB C 10 43.090 44.022 -0.932 1
1 100 . 4 1 1 X 11 11 TYR HA H 11 4.450 4.396 0.054 1
1 107 . 4 1 1 X 11 11 TYR CA C 11 60.160 61.160 -1.000 1
1 108 . 4 1 1 X 11 11 TYR CB C 11 39.420 37.475 1.945 1
1 113 . 4 1 1 X 12 12 GLY H H 12 7.910 7.757 0.153 1
1 114 . 4 1 1 X 12 12 GLY HA2 H 12 3.900 3.748 0.152 1
1 115 . 4 1 1 X 12 12 GLY HA3 H 12 3.900 3.762 0.138 1
1 116 . 4 1 1 X 12 12 GLY CA C 12 46.720 46.917 -0.197 1
1 117 . 4 1 1 X 13 13 VAL H H 13 7.650 8.145 -0.495 1
1 118 . 4 1 1 X 13 13 VAL HA H 13 4.330 3.827 0.503 1
1 126 . 4 1 1 X 13 13 VAL CA C 13 62.930 65.617 -2.687 1
1 127 . 4 1 1 X 13 13 VAL CB C 13 33.510 31.163 2.347 1
1 130 . 4 1 1 X 14 14 TRP H H 14 7.780 7.883 -0.103 1
1 131 . 4 1 1 X 14 14 TRP HA H 14 4.800 4.410 0.390 1
1 140 . 4 1 1 X 14 14 TRP CB C 14 29.030 27.762 1.268 1
1 146 . 4 1 1 X 15 15 PRO HA H 15 4.190 4.012 0.178 1
1 153 . 4 1 1 X 15 15 PRO CA C 15 66.860 65.646 1.214 1
1 154 . 4 1 1 X 15 15 PRO CB C 15 31.920 30.666 1.254 1
1 157 . 4 1 1 X 16 16 LEU H H 16 7.110 7.597 -0.487 1
1 158 . 4 1 1 X 16 16 LEU HA H 16 4.180 3.935 0.245 1
1 167 . 4 1 1 X 16 16 LEU CA C 16 58.170 57.520 0.650 1
1 168 . 4 1 1 X 16 16 LEU CB C 16 42.760 41.841 0.919 1
1 169 . 4 1 1 X 17 17 LEU H H 17 7.700 8.584 -0.884 1
1 170 . 4 1 1 X 17 17 LEU HA H 17 4.030 3.982 0.048 1
1 179 . 4 1 1 X 17 17 LEU CA C 17 59.060 57.978 1.082 1
1 180 . 4 1 1 X 18 18 LEU H H 18 7.790 8.304 -0.514 1
1 181 . 4 1 1 X 18 18 LEU HA H 18 4.010 3.655 0.355 1
1 191 . 4 1 1 X 18 18 LEU CA C 18 58.910 57.781 1.129 1
1 192 . 4 1 1 X 18 18 LEU CB C 18 42.500 40.781 1.719 1
1 194 . 4 1 1 X 19 19 LEU H H 19 7.440 8.050 -0.610 1
1 195 . 4 1 1 X 19 19 LEU HA H 19 4.140 3.944 0.196 1
1 204 . 4 1 1 X 19 19 LEU CA C 19 58.860 57.956 0.904 1
1 205 . 4 1 1 X 19 19 LEU CB C 19 42.790 41.615 1.175 1
1 206 . 4 1 1 X 20 20 LEU H H 20 8.070 8.383 -0.313 1
1 207 . 4 1 1 X 20 20 LEU HA H 20 4.120 3.960 0.160 1
1 216 . 4 1 1 X 20 20 LEU CA C 20 58.590 58.051 0.539 1
1 217 . 4 1 1 X 20 20 LEU CB C 20 42.780 41.373 1.407 1
1 218 . 4 1 1 X 21 21 LEU H H 21 8.100 8.417 -0.317 1
1 219 . 4 1 1 X 21 21 LEU HA H 21 4.260 3.986 0.274 1
1 228 . 4 1 1 X 21 21 LEU CA C 21 57.160 58.028 -0.868 1
1 229 . 4 1 1 X 21 21 LEU CB C 21 43.230 41.401 1.829 1
1 230 . 4 1 1 X 22 22 ALA H H 22 7.790 7.124 0.666 1
1 231 . 4 1 1 X 22 22 ALA HA H 22 4.360 4.464 -0.104 1
1 235 . 4 1 1 X 22 22 ALA CA C 22 53.810 51.069 2.741 1
1 236 . 4 1 1 X 22 22 ALA CB C 22 19.990 19.095 0.895 1
1 237 . 4 1 1 X 23 23 LEU H H 23 7.620 6.844 0.776 1
1 238 . 4 1 1 X 23 23 LEU HA H 23 4.610 4.565 0.045 1
1 248 . 4 1 1 X 23 23 LEU CA C 23 54.620 53.075 1.545 1
1 249 . 4 1 1 X 23 23 LEU CB C 23 42.710 41.820 0.890 1
1 251 . 4 1 1 X 24 24 PRO HA H 24 4.710 4.709 0.001 1
1 258 . 4 1 1 X 24 24 PRO CB C 24 31.470 31.951 -0.481 1
1 260 . 4 1 1 X 25 25 PRO HA H 25 4.360 4.523 -0.163 1
1 267 . 4 1 1 X 25 25 PRO CA C 25 64.800 62.343 2.457 1
1 268 . 4 1 1 X 25 25 PRO CB C 25 32.510 33.271 -0.761 1
1 270 . 4 1 1 X 26 26 ARG H H 26 7.830 8.734 -0.904 1
1 271 . 4 1 1 X 26 26 ARG HA H 26 4.260 4.155 0.105 1
1 279 . 4 1 1 X 26 26 ARG CA C 26 57.270 58.821 -1.551 1
1 280 . 4 1 1 X 26 26 ARG CB C 26 31.630 30.954 0.676 1
1 283 . 4 1 1 X 27 27 ALA H H 27 8.030 7.774 0.256 1
1 284 . 4 1 1 X 27 27 ALA HA H 27 4.270 4.550 -0.280 1
1 288 . 4 1 1 X 27 27 ALA CA C 27 53.880 51.293 2.587 1
1 289 . 4 1 1 X 27 27 ALA CB C 27 19.920 19.323 0.597 1
1 290 . 4 1 1 X 28 28 TYR H H 28 7.580 7.990 -0.410 1
1 291 . 4 1 1 X 28 28 TYR HA H 28 4.620 4.834 -0.214 1
1 298 . 4 1 1 X 28 28 TYR CA C 28 58.240 59.370 -1.130 1
1 299 . 4 1 1 X 28 28 TYR CB C 28 39.910 40.015 -0.105 1
1 13 . 5 1 1 X 2 2 LEU H H 2 8.470 8.297 0.173 1
1 14 . 5 1 1 X 2 2 LEU HA H 2 4.500 4.367 0.133 1
1 23 . 5 1 1 X 2 2 LEU CA C 2 56.340 53.659 2.681 1
1 24 . 5 1 1 X 2 2 LEU CB C 2 43.690 43.847 -0.157 1
1 25 . 5 1 1 X 3 3 VAL H H 3 7.780 8.155 -0.375 1
1 26 . 5 1 1 X 3 3 VAL HA H 3 4.550 4.262 0.288 1
1 34 . 5 1 1 X 3 3 VAL CA C 3 60.380 61.034 -0.654 1
1 35 . 5 1 1 X 3 3 VAL CB C 3 33.980 31.658 2.322 1
1 38 . 5 1 1 X 4 4 PRO HA H 4 4.370 4.531 -0.161 1
1 45 . 5 1 1 X 4 4 PRO CA C 4 64.800 62.703 2.097 1
1 46 . 5 1 1 X 4 4 PRO CB C 4 32.660 29.669 2.991 1
1 49 . 5 1 1 X 5 5 GLY H H 5 8.150 8.834 -0.684 1
1 50 . 5 1 1 X 5 5 GLY HA2 H 5 4.030 3.967 0.063 1
1 51 . 5 1 1 X 5 5 GLY HA3 H 5 3.900 4.033 -0.133 1
1 52 . 5 1 1 X 5 5 GLY CA C 5 46.820 45.386 1.434 1
1 53 . 5 1 1 X 6 6 ALA H H 6 7.850 8.268 -0.418 1
1 54 . 5 1 1 X 6 6 ALA HA H 6 4.240 4.038 0.202 1
1 58 . 5 1 1 X 6 6 ALA CA C 6 54.770 55.146 -0.376 1
1 59 . 5 1 1 X 6 6 ALA CB C 6 19.380 18.851 0.529 1
1 60 . 5 1 1 X 7 7 ALA H H 7 7.920 7.970 -0.050 1
1 61 . 5 1 1 X 7 7 ALA HA H 7 4.140 4.799 -0.659 1
1 65 . 5 1 1 X 7 7 ALA CA C 7 55.100 51.593 3.507 1
1 66 . 5 1 1 X 7 7 ALA CB C 7 18.850 18.931 -0.081 1
1 67 . 5 1 1 X 8 8 TYR H H 8 7.580 8.212 -0.632 1
1 68 . 5 1 1 X 8 8 TYR HA H 8 4.370 4.622 -0.252 1
1 75 . 5 1 1 X 8 8 TYR CA C 8 60.430 59.848 0.582 1
1 76 . 5 1 1 X 8 8 TYR CB C 8 39.010 39.584 -0.574 1
1 81 . 5 1 1 X 9 9 ALA H H 9 7.730 8.224 -0.494 1
1 82 . 5 1 1 X 9 9 ALA HA H 9 4.210 4.158 0.052 1
1 86 . 5 1 1 X 9 9 ALA CA C 9 55.020 55.307 -0.287 1
1 87 . 5 1 1 X 9 9 ALA CB C 9 19.180 18.053 1.127 1
1 88 . 5 1 1 X 10 10 LEU H H 10 7.760 8.335 -0.575 1
1 89 . 5 1 1 X 10 10 LEU HA H 10 4.240 4.058 0.182 1
1 98 . 5 1 1 X 10 10 LEU CA C 10 57.200 57.885 -0.685 1
1 99 . 5 1 1 X 10 10 LEU CB C 10 43.090 41.801 1.289 1
1 100 . 5 1 1 X 11 11 TYR HA H 11 4.450 4.661 -0.211 1
1 107 . 5 1 1 X 11 11 TYR CA C 11 60.160 59.884 0.276 1
1 108 . 5 1 1 X 11 11 TYR CB C 11 39.420 37.454 1.966 1
1 113 . 5 1 1 X 12 12 GLY H H 12 7.910 8.088 -0.178 1
1 114 . 5 1 1 X 12 12 GLY HA2 H 12 3.900 3.983 -0.083 1
1 115 . 5 1 1 X 12 12 GLY HA3 H 12 3.900 3.984 -0.084 1
1 116 . 5 1 1 X 12 12 GLY CA C 12 46.720 46.260 0.460 1
1 117 . 5 1 1 X 13 13 VAL H H 13 7.650 7.203 0.447 1
1 118 . 5 1 1 X 13 13 VAL HA H 13 4.330 4.308 0.022 1
1 126 . 5 1 1 X 13 13 VAL CA C 13 62.930 62.271 0.659 1
1 127 . 5 1 1 X 13 13 VAL CB C 13 33.510 32.915 0.595 1
1 130 . 5 1 1 X 14 14 TRP H H 14 7.780 7.920 -0.140 1
1 131 . 5 1 1 X 14 14 TRP HA H 14 4.800 4.371 0.429 1
1 140 . 5 1 1 X 14 14 TRP CB C 14 29.030 28.189 0.841 1
1 146 . 5 1 1 X 15 15 PRO HA H 15 4.190 4.034 0.156 1
1 153 . 5 1 1 X 15 15 PRO CA C 15 66.860 65.531 1.329 1
1 154 . 5 1 1 X 15 15 PRO CB C 15 31.920 30.698 1.222 1
1 157 . 5 1 1 X 16 16 LEU H H 16 7.110 7.607 -0.497 1
1 158 . 5 1 1 X 16 16 LEU HA H 16 4.180 3.950 0.230 1
1 167 . 5 1 1 X 16 16 LEU CA C 16 58.170 57.648 0.522 1
1 168 . 5 1 1 X 16 16 LEU CB C 16 42.760 41.954 0.806 1
1 169 . 5 1 1 X 17 17 LEU H H 17 7.700 7.997 -0.297 1
1 170 . 5 1 1 X 17 17 LEU HA H 17 4.030 3.969 0.061 1
1 179 . 5 1 1 X 17 17 LEU CA C 17 59.060 58.053 1.007 1
1 180 . 5 1 1 X 18 18 LEU H H 18 7.790 7.732 0.058 1
1 181 . 5 1 1 X 18 18 LEU HA H 18 4.010 3.836 0.174 1
1 191 . 5 1 1 X 18 18 LEU CA C 18 58.910 57.815 1.095 1
1 192 . 5 1 1 X 18 18 LEU CB C 18 42.500 41.254 1.246 1
1 194 . 5 1 1 X 19 19 LEU H H 19 7.440 8.368 -0.928 1
1 195 . 5 1 1 X 19 19 LEU HA H 19 4.140 3.956 0.184 1
1 204 . 5 1 1 X 19 19 LEU CA C 19 58.860 57.867 0.993 1
1 205 . 5 1 1 X 19 19 LEU CB C 19 42.790 41.580 1.210 1
1 206 . 5 1 1 X 20 20 LEU H H 20 8.070 8.305 -0.235 1
1 207 . 5 1 1 X 20 20 LEU HA H 20 4.120 4.039 0.081 1
1 216 . 5 1 1 X 20 20 LEU CA C 20 58.590 57.819 0.771 1
1 217 . 5 1 1 X 20 20 LEU CB C 20 42.780 41.716 1.064 1
1 218 . 5 1 1 X 21 21 LEU H H 21 8.100 8.490 -0.390 1
1 219 . 5 1 1 X 21 21 LEU HA H 21 4.260 3.953 0.307 1
1 228 . 5 1 1 X 21 21 LEU CA C 21 57.160 57.806 -0.646 1
1 229 . 5 1 1 X 21 21 LEU CB C 21 43.230 41.361 1.869 1
1 230 . 5 1 1 X 22 22 ALA H H 22 7.790 7.531 0.259 1
1 231 . 5 1 1 X 22 22 ALA HA H 22 4.360 4.308 0.052 1
1 235 . 5 1 1 X 22 22 ALA CA C 22 53.810 52.190 1.620 1
1 236 . 5 1 1 X 22 22 ALA CB C 22 19.990 18.923 1.067 1
1 237 . 5 1 1 X 23 23 LEU H H 23 7.620 7.193 0.427 1
1 238 . 5 1 1 X 23 23 LEU HA H 23 4.610 4.822 -0.212 1
1 248 . 5 1 1 X 23 23 LEU CA C 23 54.620 51.804 2.816 1
1 249 . 5 1 1 X 23 23 LEU CB C 23 42.710 42.900 -0.190 1
1 251 . 5 1 1 X 24 24 PRO HA H 24 4.710 4.262 0.448 1
1 258 . 5 1 1 X 24 24 PRO CB C 24 31.470 31.889 -0.419 1
1 260 . 5 1 1 X 25 25 PRO HA H 25 4.360 4.489 -0.129 1
1 267 . 5 1 1 X 25 25 PRO CA C 25 64.800 62.407 2.393 1
1 268 . 5 1 1 X 25 25 PRO CB C 25 32.510 32.737 -0.227 1
1 270 . 5 1 1 X 26 26 ARG H H 26 7.830 8.829 -0.999 1
1 271 . 5 1 1 X 26 26 ARG HA H 26 4.260 4.123 0.137 1
1 279 . 5 1 1 X 26 26 ARG CA C 26 57.270 59.434 -2.164 1
1 280 . 5 1 1 X 26 26 ARG CB C 26 31.630 31.065 0.565 1
1 283 . 5 1 1 X 27 27 ALA H H 27 8.030 7.816 0.214 1
1 284 . 5 1 1 X 27 27 ALA HA H 27 4.270 4.525 -0.255 1
1 288 . 5 1 1 X 27 27 ALA CA C 27 53.880 51.514 2.366 1
1 289 . 5 1 1 X 27 27 ALA CB C 27 19.920 19.616 0.304 1
1 290 . 5 1 1 X 28 28 TYR H H 28 7.580 7.719 -0.139 1
1 291 . 5 1 1 X 28 28 TYR HA H 28 4.620 4.736 -0.116 1
1 298 . 5 1 1 X 28 28 TYR CA C 28 58.240 57.356 0.884 1
1 299 . 5 1 1 X 28 28 TYR CB C 28 39.910 40.389 -0.479 1
1 13 . 6 1 1 X 2 2 LEU H H 2 8.470 8.710 -0.240 1
1 14 . 6 1 1 X 2 2 LEU HA H 2 4.500 4.186 0.314 1
1 23 . 6 1 1 X 2 2 LEU CA C 2 56.340 56.967 -0.627 1
1 24 . 6 1 1 X 2 2 LEU CB C 2 43.690 40.849 2.841 1
1 25 . 6 1 1 X 3 3 VAL H H 3 7.780 8.390 -0.610 1
1 26 . 6 1 1 X 3 3 VAL HA H 3 4.550 4.734 -0.184 1
1 34 . 6 1 1 X 3 3 VAL CA C 3 60.380 58.119 2.261 1
1 35 . 6 1 1 X 3 3 VAL CB C 3 33.980 34.660 -0.680 1
1 38 . 6 1 1 X 4 4 PRO HA H 4 4.370 4.479 -0.109 1
1 45 . 6 1 1 X 4 4 PRO CA C 4 64.800 65.151 -0.351 1
1 46 . 6 1 1 X 4 4 PRO CB C 4 32.660 32.041 0.619 1
1 49 . 6 1 1 X 5 5 GLY H H 5 8.150 7.902 0.248 1
1 50 . 6 1 1 X 5 5 GLY HA2 H 5 4.030 4.187 -0.157 1
1 51 . 6 1 1 X 5 5 GLY HA3 H 5 3.900 4.213 -0.313 1
1 52 . 6 1 1 X 5 5 GLY CA C 5 46.820 45.680 1.140 1
1 53 . 6 1 1 X 6 6 ALA H H 6 7.850 8.344 -0.494 1
1 54 . 6 1 1 X 6 6 ALA HA H 6 4.240 4.001 0.239 1
1 58 . 6 1 1 X 6 6 ALA CA C 6 54.770 53.399 1.371 1
1 59 . 6 1 1 X 6 6 ALA CB C 6 19.380 17.222 2.158 1
1 60 . 6 1 1 X 7 7 ALA H H 7 7.920 8.321 -0.401 1
1 61 . 6 1 1 X 7 7 ALA HA H 7 4.140 4.181 -0.041 1
1 65 . 6 1 1 X 7 7 ALA CA C 7 55.100 53.497 1.603 1
1 66 . 6 1 1 X 7 7 ALA CB C 7 18.850 17.524 1.326 1
1 67 . 6 1 1 X 8 8 TYR H H 8 7.580 8.349 -0.769 1
1 68 . 6 1 1 X 8 8 TYR HA H 8 4.370 4.525 -0.155 1
1 75 . 6 1 1 X 8 8 TYR CA C 8 60.430 60.657 -0.227 1
1 76 . 6 1 1 X 8 8 TYR CB C 8 39.010 39.836 -0.826 1
1 81 . 6 1 1 X 9 9 ALA H H 9 7.730 8.563 -0.833 1
1 82 . 6 1 1 X 9 9 ALA HA H 9 4.210 4.210 0.000 1
1 86 . 6 1 1 X 9 9 ALA CA C 9 55.020 55.238 -0.218 1
1 87 . 6 1 1 X 9 9 ALA CB C 9 19.180 17.891 1.289 1
1 88 . 6 1 1 X 10 10 LEU H H 10 7.760 8.280 -0.520 1
1 89 . 6 1 1 X 10 10 LEU HA H 10 4.240 4.093 0.147 1
1 98 . 6 1 1 X 10 10 LEU CA C 10 57.200 58.012 -0.812 1
1 99 . 6 1 1 X 10 10 LEU CB C 10 43.090 41.941 1.149 1
1 100 . 6 1 1 X 11 11 TYR HA H 11 4.450 4.292 0.158 1
1 107 . 6 1 1 X 11 11 TYR CA C 11 60.160 61.768 -1.608 1
1 108 . 6 1 1 X 11 11 TYR CB C 11 39.420 36.926 2.494 1
1 113 . 6 1 1 X 12 12 GLY H H 12 7.910 8.288 -0.378 1
1 114 . 6 1 1 X 12 12 GLY HA2 H 12 3.900 3.796 0.104 1
1 115 . 6 1 1 X 12 12 GLY HA3 H 12 3.900 3.800 0.100 1
1 116 . 6 1 1 X 12 12 GLY CA C 12 46.720 46.959 -0.239 1
1 117 . 6 1 1 X 13 13 VAL H H 13 7.650 8.317 -0.667 1
1 118 . 6 1 1 X 13 13 VAL HA H 13 4.330 4.077 0.253 1
1 126 . 6 1 1 X 13 13 VAL CA C 13 62.930 63.872 -0.942 1
1 127 . 6 1 1 X 13 13 VAL CB C 13 33.510 31.828 1.682 1
1 130 . 6 1 1 X 14 14 TRP H H 14 7.780 8.023 -0.243 1
1 131 . 6 1 1 X 14 14 TRP HA H 14 4.800 4.389 0.411 1
1 140 . 6 1 1 X 14 14 TRP CB C 14 29.030 27.998 1.032 1
1 146 . 6 1 1 X 15 15 PRO HA H 15 4.190 4.015 0.175 1
1 153 . 6 1 1 X 15 15 PRO CA C 15 66.860 65.430 1.430 1
1 154 . 6 1 1 X 15 15 PRO CB C 15 31.920 30.908 1.012 1
1 157 . 6 1 1 X 16 16 LEU H H 16 7.110 7.694 -0.584 1
1 158 . 6 1 1 X 16 16 LEU HA H 16 4.180 4.030 0.150 1
1 167 . 6 1 1 X 16 16 LEU CA C 16 58.170 57.650 0.520 1
1 168 . 6 1 1 X 16 16 LEU CB C 16 42.760 41.981 0.779 1
1 169 . 6 1 1 X 17 17 LEU H H 17 7.700 7.956 -0.256 1
1 170 . 6 1 1 X 17 17 LEU HA H 17 4.030 4.018 0.012 1
1 179 . 6 1 1 X 17 17 LEU CA C 17 59.060 57.813 1.247 1
1 180 . 6 1 1 X 18 18 LEU H H 18 7.790 7.531 0.259 1
1 181 . 6 1 1 X 18 18 LEU HA H 18 4.010 3.878 0.132 1
1 191 . 6 1 1 X 18 18 LEU CA C 18 58.910 57.774 1.136 1
1 192 . 6 1 1 X 18 18 LEU CB C 18 42.500 41.341 1.159 1
1 194 . 6 1 1 X 19 19 LEU H H 19 7.440 8.433 -0.993 1
1 195 . 6 1 1 X 19 19 LEU HA H 19 4.140 3.952 0.188 1
1 204 . 6 1 1 X 19 19 LEU CA C 19 58.860 57.795 1.065 1
1 205 . 6 1 1 X 19 19 LEU CB C 19 42.790 41.542 1.248 1
1 206 . 6 1 1 X 20 20 LEU H H 20 8.070 8.390 -0.320 1
1 207 . 6 1 1 X 20 20 LEU HA H 20 4.120 4.028 0.092 1
1 216 . 6 1 1 X 20 20 LEU CA C 20 58.590 58.033 0.557 1
1 217 . 6 1 1 X 20 20 LEU CB C 20 42.780 41.672 1.108 1
1 218 . 6 1 1 X 21 21 LEU H H 21 8.100 8.445 -0.345 1
1 219 . 6 1 1 X 21 21 LEU HA H 21 4.260 3.996 0.264 1
1 228 . 6 1 1 X 21 21 LEU CA C 21 57.160 57.437 -0.277 1
1 229 . 6 1 1 X 21 21 LEU CB C 21 43.230 41.019 2.211 1
1 230 . 6 1 1 X 22 22 ALA H H 22 7.790 7.664 0.126 1
1 231 . 6 1 1 X 22 22 ALA HA H 22 4.360 4.296 0.064 1
1 235 . 6 1 1 X 22 22 ALA CA C 22 53.810 52.041 1.769 1
1 236 . 6 1 1 X 22 22 ALA CB C 22 19.990 18.854 1.136 1
1 237 . 6 1 1 X 23 23 LEU H H 23 7.620 7.252 0.368 1
1 238 . 6 1 1 X 23 23 LEU HA H 23 4.610 4.720 -0.110 1
1 248 . 6 1 1 X 23 23 LEU CA C 23 54.620 52.036 2.584 1
1 249 . 6 1 1 X 23 23 LEU CB C 23 42.710 42.670 0.040 1
1 251 . 6 1 1 X 24 24 PRO HA H 24 4.710 4.370 0.340 1
1 258 . 6 1 1 X 24 24 PRO CB C 24 31.470 31.972 -0.502 1
1 260 . 6 1 1 X 25 25 PRO HA H 25 4.360 4.565 -0.205 1
1 267 . 6 1 1 X 25 25 PRO CA C 25 64.800 62.773 2.027 1
1 268 . 6 1 1 X 25 25 PRO CB C 25 32.510 32.585 -0.075 1
1 270 . 6 1 1 X 26 26 ARG H H 26 7.830 8.334 -0.504 1
1 271 . 6 1 1 X 26 26 ARG HA H 26 4.260 4.631 -0.371 1
1 279 . 6 1 1 X 26 26 ARG CA C 26 57.270 55.852 1.418 1
1 280 . 6 1 1 X 26 26 ARG CB C 26 31.630 31.159 0.471 1
1 283 . 6 1 1 X 27 27 ALA H H 27 8.030 8.008 0.022 1
1 284 . 6 1 1 X 27 27 ALA HA H 27 4.270 4.522 -0.252 1
1 288 . 6 1 1 X 27 27 ALA CA C 27 53.880 51.258 2.622 1
1 289 . 6 1 1 X 27 27 ALA CB C 27 19.920 19.024 0.896 1
1 290 . 6 1 1 X 28 28 TYR H H 28 7.580 7.946 -0.366 1
1 291 . 6 1 1 X 28 28 TYR HA H 28 4.620 4.831 -0.211 1
1 298 . 6 1 1 X 28 28 TYR CA C 28 58.240 57.705 0.535 1
1 299 . 6 1 1 X 28 28 TYR CB C 28 39.910 39.111 0.799 1
1 13 . 7 1 1 X 2 2 LEU H H 2 8.470 8.473 -0.003 1
1 14 . 7 1 1 X 2 2 LEU HA H 2 4.500 4.647 -0.147 1
1 23 . 7 1 1 X 2 2 LEU CA C 2 56.340 53.775 2.565 1
1 24 . 7 1 1 X 2 2 LEU CB C 2 43.690 41.375 2.315 1
1 25 . 7 1 1 X 3 3 VAL H H 3 7.780 8.023 -0.243 1
1 26 . 7 1 1 X 3 3 VAL HA H 3 4.550 4.192 0.358 1
1 34 . 7 1 1 X 3 3 VAL CA C 3 60.380 62.045 -1.665 1
1 35 . 7 1 1 X 3 3 VAL CB C 3 33.980 31.691 2.289 1
1 38 . 7 1 1 X 4 4 PRO HA H 4 4.370 4.689 -0.319 1
1 45 . 7 1 1 X 4 4 PRO CA C 4 64.800 62.414 2.386 1
1 46 . 7 1 1 X 4 4 PRO CB C 4 32.660 32.970 -0.310 1
1 49 . 7 1 1 X 5 5 GLY H H 5 8.150 8.803 -0.653 1
1 50 . 7 1 1 X 5 5 GLY HA2 H 5 4.030 3.946 0.084 1
1 51 . 7 1 1 X 5 5 GLY HA3 H 5 3.900 4.134 -0.234 1
1 52 . 7 1 1 X 5 5 GLY CA C 5 46.820 46.891 -0.071 1
1 53 . 7 1 1 X 6 6 ALA H H 6 7.850 8.206 -0.356 1
1 54 . 7 1 1 X 6 6 ALA HA H 6 4.240 4.065 0.175 1
1 58 . 7 1 1 X 6 6 ALA CA C 6 54.770 54.776 -0.006 1
1 59 . 7 1 1 X 6 6 ALA CB C 6 19.380 18.041 1.339 1
1 60 . 7 1 1 X 7 7 ALA H H 7 7.920 7.666 0.254 1
1 61 . 7 1 1 X 7 7 ALA HA H 7 4.140 4.208 -0.068 1
1 65 . 7 1 1 X 7 7 ALA CA C 7 55.100 55.066 0.034 1
1 66 . 7 1 1 X 7 7 ALA CB C 7 18.850 18.451 0.399 1
1 67 . 7 1 1 X 8 8 TYR H H 8 7.580 8.091 -0.511 1
1 68 . 7 1 1 X 8 8 TYR HA H 8 4.370 4.498 -0.128 1
1 75 . 7 1 1 X 8 8 TYR CA C 8 60.430 61.066 -0.636 1
1 76 . 7 1 1 X 8 8 TYR CB C 8 39.010 37.503 1.507 1
1 81 . 7 1 1 X 9 9 ALA H H 9 7.730 8.131 -0.401 1
1 82 . 7 1 1 X 9 9 ALA HA H 9 4.210 4.155 0.055 1
1 86 . 7 1 1 X 9 9 ALA CA C 9 55.020 55.087 -0.067 1
1 87 . 7 1 1 X 9 9 ALA CB C 9 19.180 18.358 0.822 1
1 88 . 7 1 1 X 10 10 LEU H H 10 7.760 8.090 -0.330 1
1 89 . 7 1 1 X 10 10 LEU HA H 10 4.240 3.992 0.248 1
1 98 . 7 1 1 X 10 10 LEU CA C 10 57.200 57.727 -0.527 1
1 99 . 7 1 1 X 10 10 LEU CB C 10 43.090 41.815 1.275 1
1 100 . 7 1 1 X 11 11 TYR HA H 11 4.450 4.655 -0.205 1
1 107 . 7 1 1 X 11 11 TYR CA C 11 60.160 58.706 1.454 1
1 108 . 7 1 1 X 11 11 TYR CB C 11 39.420 37.944 1.476 1
1 113 . 7 1 1 X 12 12 GLY H H 12 7.910 7.766 0.144 1
1 114 . 7 1 1 X 12 12 GLY HA2 H 12 3.900 4.104 -0.204 1
1 115 . 7 1 1 X 12 12 GLY HA3 H 12 3.900 4.113 -0.213 1
1 116 . 7 1 1 X 12 12 GLY CA C 12 46.720 45.326 1.394 1
1 117 . 7 1 1 X 13 13 VAL H H 13 7.650 7.796 -0.146 1
1 118 . 7 1 1 X 13 13 VAL HA H 13 4.330 4.331 -0.001 1
1 126 . 7 1 1 X 13 13 VAL CA C 13 62.930 61.833 1.097 1
1 127 . 7 1 1 X 13 13 VAL CB C 13 33.510 32.078 1.432 1
1 130 . 7 1 1 X 14 14 TRP H H 14 7.780 7.948 -0.168 1
1 131 . 7 1 1 X 14 14 TRP HA H 14 4.800 4.395 0.405 1
1 140 . 7 1 1 X 14 14 TRP CB C 14 29.030 28.030 1.000 1
1 146 . 7 1 1 X 15 15 PRO HA H 15 4.190 4.047 0.143 1
1 153 . 7 1 1 X 15 15 PRO CA C 15 66.860 65.438 1.422 1
1 154 . 7 1 1 X 15 15 PRO CB C 15 31.920 30.917 1.003 1
1 157 . 7 1 1 X 16 16 LEU H H 16 7.110 7.776 -0.666 1
1 158 . 7 1 1 X 16 16 LEU HA H 16 4.180 4.030 0.150 1
1 167 . 7 1 1 X 16 16 LEU CA C 16 58.170 57.565 0.605 1
1 168 . 7 1 1 X 16 16 LEU CB C 16 42.760 42.009 0.751 1
1 169 . 7 1 1 X 17 17 LEU H H 17 7.700 7.866 -0.166 1
1 170 . 7 1 1 X 17 17 LEU HA H 17 4.030 3.966 0.064 1
1 179 . 7 1 1 X 17 17 LEU CA C 17 59.060 58.062 0.998 1
1 180 . 7 1 1 X 18 18 LEU H H 18 7.790 7.607 0.183 1
1 181 . 7 1 1 X 18 18 LEU HA H 18 4.010 3.861 0.149 1
1 191 . 7 1 1 X 18 18 LEU CA C 18 58.910 57.876 1.034 1
1 192 . 7 1 1 X 18 18 LEU CB C 18 42.500 41.329 1.171 1
1 194 . 7 1 1 X 19 19 LEU H H 19 7.440 8.448 -1.008 1
1 195 . 7 1 1 X 19 19 LEU HA H 19 4.140 3.946 0.194 1
1 204 . 7 1 1 X 19 19 LEU CA C 19 58.860 57.958 0.902 1
1 205 . 7 1 1 X 19 19 LEU CB C 19 42.790 41.559 1.231 1
1 206 . 7 1 1 X 20 20 LEU H H 20 8.070 8.570 -0.500 1
1 207 . 7 1 1 X 20 20 LEU HA H 20 4.120 3.958 0.162 1
1 216 . 7 1 1 X 20 20 LEU CA C 20 58.590 58.107 0.483 1
1 217 . 7 1 1 X 20 20 LEU CB C 20 42.780 41.542 1.238 1
1 218 . 7 1 1 X 21 21 LEU H H 21 8.100 8.459 -0.359 1
1 219 . 7 1 1 X 21 21 LEU HA H 21 4.260 3.961 0.299 1
1 228 . 7 1 1 X 21 21 LEU CA C 21 57.160 57.846 -0.686 1
1 229 . 7 1 1 X 21 21 LEU CB C 21 43.230 41.569 1.661 1
1 230 . 7 1 1 X 22 22 ALA H H 22 7.790 7.361 0.429 1
1 231 . 7 1 1 X 22 22 ALA HA H 22 4.360 4.327 0.033 1
1 235 . 7 1 1 X 22 22 ALA CA C 22 53.810 52.169 1.641 1
1 236 . 7 1 1 X 22 22 ALA CB C 22 19.990 18.773 1.217 1
1 237 . 7 1 1 X 23 23 LEU H H 23 7.620 7.222 0.398 1
1 238 . 7 1 1 X 23 23 LEU HA H 23 4.610 4.793 -0.183 1
1 248 . 7 1 1 X 23 23 LEU CA C 23 54.620 51.112 3.508 1
1 249 . 7 1 1 X 23 23 LEU CB C 23 42.710 46.075 -3.365 1
1 251 . 7 1 1 X 24 24 PRO HA H 24 4.710 4.830 -0.120 1
1 258 . 7 1 1 X 24 24 PRO CB C 24 31.470 31.872 -0.402 1
1 260 . 7 1 1 X 25 25 PRO HA H 25 4.360 4.706 -0.346 1
1 267 . 7 1 1 X 25 25 PRO CA C 25 64.800 62.590 2.210 1
1 268 . 7 1 1 X 25 25 PRO CB C 25 32.510 33.471 -0.961 1
1 270 . 7 1 1 X 26 26 ARG H H 26 7.830 8.838 -1.008 1
1 271 . 7 1 1 X 26 26 ARG HA H 26 4.260 4.484 -0.224 1
1 279 . 7 1 1 X 26 26 ARG CA C 26 57.270 57.293 -0.023 1
1 280 . 7 1 1 X 26 26 ARG CB C 26 31.630 33.174 -1.544 1
1 283 . 7 1 1 X 27 27 ALA H H 27 8.030 7.822 0.208 1
1 284 . 7 1 1 X 27 27 ALA HA H 27 4.270 4.634 -0.364 1
1 288 . 7 1 1 X 27 27 ALA CA C 27 53.880 50.941 2.939 1
1 289 . 7 1 1 X 27 27 ALA CB C 27 19.920 19.618 0.302 1
1 290 . 7 1 1 X 28 28 TYR H H 28 7.580 8.256 -0.676 1
1 291 . 7 1 1 X 28 28 TYR HA H 28 4.620 4.496 0.124 1
1 298 . 7 1 1 X 28 28 TYR CA C 28 58.240 59.566 -1.326 1
1 299 . 7 1 1 X 28 28 TYR CB C 28 39.910 36.738 3.172 1
1 13 . 8 1 1 X 2 2 LEU H H 2 8.470 8.802 -0.332 1
1 14 . 8 1 1 X 2 2 LEU HA H 2 4.500 5.244 -0.744 1
1 23 . 8 1 1 X 2 2 LEU CA C 2 56.340 53.418 2.922 1
1 24 . 8 1 1 X 2 2 LEU CB C 2 43.690 45.213 -1.523 1
1 25 . 8 1 1 X 3 3 VAL H H 3 7.780 8.915 -1.135 1
1 26 . 8 1 1 X 3 3 VAL HA H 3 4.550 4.854 -0.304 1
1 34 . 8 1 1 X 3 3 VAL CA C 3 60.380 57.856 2.524 1
1 35 . 8 1 1 X 3 3 VAL CB C 3 33.980 34.537 -0.557 1
1 38 . 8 1 1 X 4 4 PRO HA H 4 4.370 4.695 -0.325 1
1 45 . 8 1 1 X 4 4 PRO CA C 4 64.800 62.172 2.628 1
1 46 . 8 1 1 X 4 4 PRO CB C 4 32.660 33.173 -0.513 1
1 49 . 8 1 1 X 5 5 GLY H H 5 8.150 8.730 -0.580 1
1 50 . 8 1 1 X 5 5 GLY HA2 H 5 4.030 3.830 0.200 1
1 51 . 8 1 1 X 5 5 GLY HA3 H 5 3.900 3.843 0.057 1
1 52 . 8 1 1 X 5 5 GLY CA C 5 46.820 46.947 -0.127 1
1 53 . 8 1 1 X 6 6 ALA H H 6 7.850 8.006 -0.156 1
1 54 . 8 1 1 X 6 6 ALA HA H 6 4.240 4.106 0.134 1
1 58 . 8 1 1 X 6 6 ALA CA C 6 54.770 54.572 0.198 1
1 59 . 8 1 1 X 6 6 ALA CB C 6 19.380 18.362 1.018 1
1 60 . 8 1 1 X 7 7 ALA H H 7 7.920 7.724 0.196 1
1 61 . 8 1 1 X 7 7 ALA HA H 7 4.140 4.461 -0.321 1
1 65 . 8 1 1 X 7 7 ALA CA C 7 55.100 51.318 3.782 1
1 66 . 8 1 1 X 7 7 ALA CB C 7 18.850 18.774 0.076 1
1 67 . 8 1 1 X 8 8 TYR H H 8 7.580 8.163 -0.583 1
1 68 . 8 1 1 X 8 8 TYR HA H 8 4.370 4.481 -0.111 1
1 75 . 8 1 1 X 8 8 TYR CA C 8 60.430 59.707 0.723 1
1 76 . 8 1 1 X 8 8 TYR CB C 8 39.010 39.431 -0.421 1
1 81 . 8 1 1 X 9 9 ALA H H 9 7.730 8.082 -0.352 1
1 82 . 8 1 1 X 9 9 ALA HA H 9 4.210 4.155 0.055 1
1 86 . 8 1 1 X 9 9 ALA CA C 9 55.020 55.302 -0.282 1
1 87 . 8 1 1 X 9 9 ALA CB C 9 19.180 17.978 1.202 1
1 88 . 8 1 1 X 10 10 LEU H H 10 7.760 8.231 -0.471 1
1 89 . 8 1 1 X 10 10 LEU HA H 10 4.240 4.164 0.076 1
1 98 . 8 1 1 X 10 10 LEU CA C 10 57.200 58.060 -0.860 1
1 99 . 8 1 1 X 10 10 LEU CB C 10 43.090 41.870 1.220 1
1 100 . 8 1 1 X 11 11 TYR HA H 11 4.450 4.394 0.056 1
1 107 . 8 1 1 X 11 11 TYR CA C 11 60.160 61.001 -0.841 1
1 108 . 8 1 1 X 11 11 TYR CB C 11 39.420 36.839 2.581 1
1 113 . 8 1 1 X 12 12 GLY H H 12 7.910 8.039 -0.129 1
1 114 . 8 1 1 X 12 12 GLY HA2 H 12 3.900 3.674 0.226 1
1 115 . 8 1 1 X 12 12 GLY HA3 H 12 3.900 3.679 0.221 1
1 116 . 8 1 1 X 12 12 GLY CA C 12 46.720 47.237 -0.517 1
1 117 . 8 1 1 X 13 13 VAL H H 13 7.650 7.992 -0.342 1
1 118 . 8 1 1 X 13 13 VAL HA H 13 4.330 3.826 0.504 1
1 126 . 8 1 1 X 13 13 VAL CA C 13 62.930 65.465 -2.535 1
1 127 . 8 1 1 X 13 13 VAL CB C 13 33.510 31.505 2.005 1
1 130 . 8 1 1 X 14 14 TRP H H 14 7.780 7.999 -0.219 1
1 131 . 8 1 1 X 14 14 TRP HA H 14 4.800 4.430 0.370 1
1 140 . 8 1 1 X 14 14 TRP CB C 14 29.030 27.935 1.095 1
1 146 . 8 1 1 X 15 15 PRO HA H 15 4.190 4.093 0.097 1
1 153 . 8 1 1 X 15 15 PRO CA C 15 66.860 65.595 1.265 1
1 154 . 8 1 1 X 15 15 PRO CB C 15 31.920 30.712 1.208 1
1 157 . 8 1 1 X 16 16 LEU H H 16 7.110 7.601 -0.491 1
1 158 . 8 1 1 X 16 16 LEU HA H 16 4.180 3.947 0.233 1
1 167 . 8 1 1 X 16 16 LEU CA C 16 58.170 57.646 0.524 1
1 168 . 8 1 1 X 16 16 LEU CB C 16 42.760 41.727 1.033 1
1 169 . 8 1 1 X 17 17 LEU H H 17 7.700 8.517 -0.817 1
1 170 . 8 1 1 X 17 17 LEU HA H 17 4.030 3.949 0.081 1
1 179 . 8 1 1 X 17 17 LEU CA C 17 59.060 57.958 1.102 1
1 180 . 8 1 1 X 18 18 LEU H H 18 7.790 7.859 -0.069 1
1 181 . 8 1 1 X 18 18 LEU HA H 18 4.010 3.728 0.282 1
1 191 . 8 1 1 X 18 18 LEU CA C 18 58.910 57.806 1.104 1
1 192 . 8 1 1 X 18 18 LEU CB C 18 42.500 41.012 1.488 1
1 194 . 8 1 1 X 19 19 LEU H H 19 7.440 7.627 -0.187 1
1 195 . 8 1 1 X 19 19 LEU HA H 19 4.140 4.024 0.116 1
1 204 . 8 1 1 X 19 19 LEU CA C 19 58.860 57.791 1.069 1
1 205 . 8 1 1 X 19 19 LEU CB C 19 42.790 41.654 1.136 1
1 206 . 8 1 1 X 20 20 LEU H H 20 8.070 8.473 -0.403 1
1 207 . 8 1 1 X 20 20 LEU HA H 20 4.120 3.913 0.207 1
1 216 . 8 1 1 X 20 20 LEU CA C 20 58.590 58.047 0.543 1
1 217 . 8 1 1 X 20 20 LEU CB C 20 42.780 41.304 1.476 1
1 218 . 8 1 1 X 21 21 LEU H H 21 8.100 8.308 -0.208 1
1 219 . 8 1 1 X 21 21 LEU HA H 21 4.260 3.924 0.336 1
1 228 . 8 1 1 X 21 21 LEU CA C 21 57.160 57.778 -0.618 1
1 229 . 8 1 1 X 21 21 LEU CB C 21 43.230 41.372 1.858 1
1 230 . 8 1 1 X 22 22 ALA H H 22 7.790 7.448 0.342 1
1 231 . 8 1 1 X 22 22 ALA HA H 22 4.360 4.337 0.023 1
1 235 . 8 1 1 X 22 22 ALA CA C 22 53.810 52.029 1.781 1
1 236 . 8 1 1 X 22 22 ALA CB C 22 19.990 19.062 0.928 1
1 237 . 8 1 1 X 23 23 LEU H H 23 7.620 7.320 0.300 1
1 238 . 8 1 1 X 23 23 LEU HA H 23 4.610 4.820 -0.210 1
1 248 . 8 1 1 X 23 23 LEU CA C 23 54.620 51.090 3.530 1
1 249 . 8 1 1 X 23 23 LEU CB C 23 42.710 46.112 -3.402 1
1 251 . 8 1 1 X 24 24 PRO HA H 24 4.710 4.672 0.038 1
1 258 . 8 1 1 X 24 24 PRO CB C 24 31.470 32.339 -0.869 1
1 260 . 8 1 1 X 25 25 PRO HA H 25 4.360 4.709 -0.349 1
1 267 . 8 1 1 X 25 25 PRO CA C 25 64.800 62.492 2.308 1
1 268 . 8 1 1 X 25 25 PRO CB C 25 32.510 33.451 -0.941 1
1 270 . 8 1 1 X 26 26 ARG H H 26 7.830 8.966 -1.136 1
1 271 . 8 1 1 X 26 26 ARG HA H 26 4.260 4.594 -0.334 1
1 279 . 8 1 1 X 26 26 ARG CA C 26 57.270 56.339 0.931 1
1 280 . 8 1 1 X 26 26 ARG CB C 26 31.630 31.499 0.131 1
1 283 . 8 1 1 X 27 27 ALA H H 27 8.030 7.823 0.207 1
1 284 . 8 1 1 X 27 27 ALA HA H 27 4.270 4.595 -0.325 1
1 288 . 8 1 1 X 27 27 ALA CA C 27 53.880 50.816 3.064 1
1 289 . 8 1 1 X 27 27 ALA CB C 27 19.920 19.060 0.860 1
1 290 . 8 1 1 X 28 28 TYR H H 28 7.580 7.618 -0.038 1
1 291 . 8 1 1 X 28 28 TYR HA H 28 4.620 4.762 -0.142 1
1 298 . 8 1 1 X 28 28 TYR CA C 28 58.240 57.169 1.071 1
1 299 . 8 1 1 X 28 28 TYR CB C 28 39.910 40.059 -0.149 1
1 13 . 9 1 1 X 2 2 LEU H H 2 8.470 8.005 0.465 1
1 14 . 9 1 1 X 2 2 LEU HA H 2 4.500 4.069 0.431 1
1 23 . 9 1 1 X 2 2 LEU CA C 2 56.340 55.413 0.927 1
1 24 . 9 1 1 X 2 2 LEU CB C 2 43.690 41.084 2.606 1
1 25 . 9 1 1 X 3 3 VAL H H 3 7.780 8.187 -0.407 1
1 26 . 9 1 1 X 3 3 VAL HA H 3 4.550 4.667 -0.117 1
1 34 . 9 1 1 X 3 3 VAL CA C 3 60.380 59.747 0.633 1
1 35 . 9 1 1 X 3 3 VAL CB C 3 33.980 32.621 1.359 1
1 38 . 9 1 1 X 4 4 PRO HA H 4 4.370 4.433 -0.063 1
1 45 . 9 1 1 X 4 4 PRO CA C 4 64.800 63.571 1.229 1
1 46 . 9 1 1 X 4 4 PRO CB C 4 32.660 30.642 2.018 1
1 49 . 9 1 1 X 5 5 GLY H H 5 8.150 8.547 -0.397 1
1 50 . 9 1 1 X 5 5 GLY HA2 H 5 4.030 3.974 0.056 1
1 51 . 9 1 1 X 5 5 GLY HA3 H 5 3.900 3.995 -0.095 1
1 52 . 9 1 1 X 5 5 GLY CA C 5 46.820 46.233 0.587 1
1 53 . 9 1 1 X 6 6 ALA H H 6 7.850 8.250 -0.400 1
1 54 . 9 1 1 X 6 6 ALA HA H 6 4.240 4.029 0.211 1
1 58 . 9 1 1 X 6 6 ALA CA C 6 54.770 53.272 1.498 1
1 59 . 9 1 1 X 6 6 ALA CB C 6 19.380 17.327 2.053 1
1 60 . 9 1 1 X 7 7 ALA H H 7 7.920 8.216 -0.296 1
1 61 . 9 1 1 X 7 7 ALA HA H 7 4.140 4.134 0.006 1
1 65 . 9 1 1 X 7 7 ALA CA C 7 55.100 53.652 1.448 1
1 66 . 9 1 1 X 7 7 ALA CB C 7 18.850 18.232 0.618 1
1 67 . 9 1 1 X 8 8 TYR H H 8 7.580 7.997 -0.417 1
1 68 . 9 1 1 X 8 8 TYR HA H 8 4.370 4.317 0.053 1
1 75 . 9 1 1 X 8 8 TYR CA C 8 60.430 60.865 -0.435 1
1 76 . 9 1 1 X 8 8 TYR CB C 8 39.010 38.138 0.872 1
1 81 . 9 1 1 X 9 9 ALA H H 9 7.730 7.918 -0.188 1
1 82 . 9 1 1 X 9 9 ALA HA H 9 4.210 4.280 -0.070 1
1 86 . 9 1 1 X 9 9 ALA CA C 9 55.020 52.985 2.035 1
1 87 . 9 1 1 X 9 9 ALA CB C 9 19.180 18.214 0.966 1
1 88 . 9 1 1 X 10 10 LEU H H 10 7.760 7.708 0.052 1
1 89 . 9 1 1 X 10 10 LEU HA H 10 4.240 4.645 -0.405 1
1 98 . 9 1 1 X 10 10 LEU CA C 10 57.200 56.659 0.541 1
1 99 . 9 1 1 X 10 10 LEU CB C 10 43.090 43.995 -0.905 1
1 100 . 9 1 1 X 11 11 TYR HA H 11 4.450 4.441 0.009 1
1 107 . 9 1 1 X 11 11 TYR CA C 11 60.160 60.355 -0.195 1
1 108 . 9 1 1 X 11 11 TYR CB C 11 39.420 36.947 2.473 1
1 113 . 9 1 1 X 12 12 GLY H H 12 7.910 8.257 -0.347 1
1 114 . 9 1 1 X 12 12 GLY HA2 H 12 3.900 3.894 0.006 1
1 115 . 9 1 1 X 12 12 GLY HA3 H 12 3.900 3.903 -0.003 1
1 116 . 9 1 1 X 12 12 GLY CA C 12 46.720 46.876 -0.156 1
1 117 . 9 1 1 X 13 13 VAL H H 13 7.650 8.266 -0.616 1
1 118 . 9 1 1 X 13 13 VAL HA H 13 4.330 4.077 0.253 1
1 126 . 9 1 1 X 13 13 VAL CA C 13 62.930 63.869 -0.939 1
1 127 . 9 1 1 X 13 13 VAL CB C 13 33.510 31.736 1.774 1
1 130 . 9 1 1 X 14 14 TRP H H 14 7.780 8.338 -0.558 1
1 131 . 9 1 1 X 14 14 TRP HA H 14 4.800 4.440 0.360 1
1 140 . 9 1 1 X 14 14 TRP CB C 14 29.030 28.027 1.003 1
1 146 . 9 1 1 X 15 15 PRO HA H 15 4.190 4.007 0.183 1
1 153 . 9 1 1 X 15 15 PRO CA C 15 66.860 65.448 1.412 1
1 154 . 9 1 1 X 15 15 PRO CB C 15 31.920 30.918 1.002 1
1 157 . 9 1 1 X 16 16 LEU H H 16 7.110 7.315 -0.205 1
1 158 . 9 1 1 X 16 16 LEU HA H 16 4.180 3.968 0.212 1
1 167 . 9 1 1 X 16 16 LEU CA C 16 58.170 57.623 0.547 1
1 168 . 9 1 1 X 16 16 LEU CB C 16 42.760 41.867 0.893 1
1 169 . 9 1 1 X 17 17 LEU H H 17 7.700 7.855 -0.155 1
1 170 . 9 1 1 X 17 17 LEU HA H 17 4.030 3.999 0.031 1
1 179 . 9 1 1 X 17 17 LEU CA C 17 59.060 57.970 1.090 1
1 180 . 9 1 1 X 18 18 LEU H H 18 7.790 7.622 0.168 1
1 181 . 9 1 1 X 18 18 LEU HA H 18 4.010 3.844 0.166 1
1 191 . 9 1 1 X 18 18 LEU CA C 18 58.910 57.822 1.088 1
1 192 . 9 1 1 X 18 18 LEU CB C 18 42.500 41.313 1.187 1
1 194 . 9 1 1 X 19 19 LEU H H 19 7.440 8.584 -1.144 1
1 195 . 9 1 1 X 19 19 LEU HA H 19 4.140 3.942 0.198 1
1 204 . 9 1 1 X 19 19 LEU CA C 19 58.860 57.653 1.207 1
1 205 . 9 1 1 X 19 19 LEU CB C 19 42.790 40.895 1.895 1
1 206 . 9 1 1 X 20 20 LEU H H 20 8.070 8.072 -0.002 1
1 207 . 9 1 1 X 20 20 LEU HA H 20 4.120 4.133 -0.013 1
1 216 . 9 1 1 X 20 20 LEU CA C 20 58.590 57.678 0.912 1
1 217 . 9 1 1 X 20 20 LEU CB C 20 42.780 41.470 1.310 1
1 218 . 9 1 1 X 21 21 LEU H H 21 8.100 8.394 -0.294 1
1 219 . 9 1 1 X 21 21 LEU HA H 21 4.260 3.989 0.271 1
1 228 . 9 1 1 X 21 21 LEU CA C 21 57.160 57.912 -0.752 1
1 229 . 9 1 1 X 21 21 LEU CB C 21 43.230 41.633 1.597 1
1 230 . 9 1 1 X 22 22 ALA H H 22 7.790 7.737 0.053 1
1 231 . 9 1 1 X 22 22 ALA HA H 22 4.360 4.437 -0.077 1
1 235 . 9 1 1 X 22 22 ALA CA C 22 53.810 51.253 2.557 1
1 236 . 9 1 1 X 22 22 ALA CB C 22 19.990 19.108 0.882 1
1 237 . 9 1 1 X 23 23 LEU H H 23 7.620 6.764 0.856 1
1 238 . 9 1 1 X 23 23 LEU HA H 23 4.610 4.850 -0.240 1
1 248 . 9 1 1 X 23 23 LEU CA C 23 54.620 53.025 1.595 1
1 249 . 9 1 1 X 23 23 LEU CB C 23 42.710 41.871 0.839 1
1 251 . 9 1 1 X 24 24 PRO HA H 24 4.710 4.659 0.051 1
1 258 . 9 1 1 X 24 24 PRO CB C 24 31.470 32.295 -0.825 1
1 260 . 9 1 1 X 25 25 PRO HA H 25 4.360 4.577 -0.217 1
1 267 . 9 1 1 X 25 25 PRO CA C 25 64.800 62.441 2.359 1
1 268 . 9 1 1 X 25 25 PRO CB C 25 32.510 33.398 -0.888 1
1 270 . 9 1 1 X 26 26 ARG H H 26 7.830 9.050 -1.220 1
1 271 . 9 1 1 X 26 26 ARG HA H 26 4.260 4.161 0.099 1
1 279 . 9 1 1 X 26 26 ARG CA C 26 57.270 57.463 -0.193 1
1 280 . 9 1 1 X 26 26 ARG CB C 26 31.630 30.740 0.890 1
1 283 . 9 1 1 X 27 27 ALA H H 27 8.030 7.744 0.286 1
1 284 . 9 1 1 X 27 27 ALA HA H 27 4.270 4.557 -0.287 1
1 288 . 9 1 1 X 27 27 ALA CA C 27 53.880 51.099 2.781 1
1 289 . 9 1 1 X 27 27 ALA CB C 27 19.920 18.947 0.973 1
1 290 . 9 1 1 X 28 28 TYR H H 28 7.580 8.713 -1.133 1
1 291 . 9 1 1 X 28 28 TYR HA H 28 4.620 4.266 0.354 1
1 298 . 9 1 1 X 28 28 TYR CA C 28 58.240 60.839 -2.599 1
1 299 . 9 1 1 X 28 28 TYR CB C 28 39.910 37.827 2.083 1
1 13 . 10 1 1 X 2 2 LEU H H 2 8.470 8.808 -0.338 1
1 14 . 10 1 1 X 2 2 LEU HA H 2 4.500 3.862 0.638 1
1 23 . 10 1 1 X 2 2 LEU CA C 2 56.340 55.954 0.386 1
1 24 . 10 1 1 X 2 2 LEU CB C 2 43.690 40.578 3.112 1
1 25 . 10 1 1 X 3 3 VAL H H 3 7.780 7.651 0.129 1
1 26 . 10 1 1 X 3 3 VAL HA H 3 4.550 4.949 -0.399 1
1 34 . 10 1 1 X 3 3 VAL CA C 3 60.380 58.314 2.066 1
1 35 . 10 1 1 X 3 3 VAL CB C 3 33.980 35.102 -1.122 1
1 38 . 10 1 1 X 4 4 PRO HA H 4 4.370 4.781 -0.411 1
1 45 . 10 1 1 X 4 4 PRO CA C 4 64.800 62.171 2.629 1
1 46 . 10 1 1 X 4 4 PRO CB C 4 32.660 33.123 -0.463 1
1 49 . 10 1 1 X 5 5 GLY H H 5 8.150 8.787 -0.637 1
1 50 . 10 1 1 X 5 5 GLY HA2 H 5 4.030 3.855 0.175 1
1 51 . 10 1 1 X 5 5 GLY HA3 H 5 3.900 3.923 -0.023 1
1 52 . 10 1 1 X 5 5 GLY CA C 5 46.820 47.012 -0.192 1
1 53 . 10 1 1 X 6 6 ALA H H 6 7.850 8.086 -0.236 1
1 54 . 10 1 1 X 6 6 ALA HA H 6 4.240 3.994 0.246 1
1 58 . 10 1 1 X 6 6 ALA CA C 6 54.770 54.620 0.150 1
1 59 . 10 1 1 X 6 6 ALA CB C 6 19.380 18.200 1.180 1
1 60 . 10 1 1 X 7 7 ALA H H 7 7.920 7.583 0.337 1
1 61 . 10 1 1 X 7 7 ALA HA H 7 4.140 4.051 0.089 1
1 65 . 10 1 1 X 7 7 ALA CA C 7 55.100 53.470 1.630 1
1 66 . 10 1 1 X 7 7 ALA CB C 7 18.850 19.371 -0.521 1
1 67 . 10 1 1 X 8 8 TYR H H 8 7.580 7.954 -0.374 1
1 68 . 10 1 1 X 8 8 TYR HA H 8 4.370 4.512 -0.142 1
1 75 . 10 1 1 X 8 8 TYR CA C 8 60.430 60.569 -0.139 1
1 76 . 10 1 1 X 8 8 TYR CB C 8 39.010 38.123 0.887 1
1 81 . 10 1 1 X 9 9 ALA H H 9 7.730 8.276 -0.546 1
1 82 . 10 1 1 X 9 9 ALA HA H 9 4.210 4.087 0.123 1
1 86 . 10 1 1 X 9 9 ALA CA C 9 55.020 55.274 -0.254 1
1 87 . 10 1 1 X 9 9 ALA CB C 9 19.180 17.924 1.256 1
1 88 . 10 1 1 X 10 10 LEU H H 10 7.760 8.028 -0.268 1
1 89 . 10 1 1 X 10 10 LEU HA H 10 4.240 3.981 0.259 1
1 98 . 10 1 1 X 10 10 LEU CA C 10 57.200 57.637 -0.437 1
1 99 . 10 1 1 X 10 10 LEU CB C 10 43.090 41.840 1.250 1
1 100 . 10 1 1 X 11 11 TYR HA H 11 4.450 4.402 0.048 1
1 107 . 10 1 1 X 11 11 TYR CA C 11 60.160 60.506 -0.346 1
1 108 . 10 1 1 X 11 11 TYR CB C 11 39.420 36.993 2.427 1
1 113 . 10 1 1 X 12 12 GLY H H 12 7.910 8.070 -0.160 1
1 114 . 10 1 1 X 12 12 GLY HA2 H 12 3.900 3.764 0.136 1
1 115 . 10 1 1 X 12 12 GLY HA3 H 12 3.900 3.783 0.117 1
1 116 . 10 1 1 X 12 12 GLY CA C 12 46.720 47.210 -0.490 1
1 117 . 10 1 1 X 13 13 VAL H H 13 7.650 7.854 -0.204 1
1 118 . 10 1 1 X 13 13 VAL HA H 13 4.330 3.845 0.485 1
1 126 . 10 1 1 X 13 13 VAL CA C 13 62.930 65.222 -2.292 1
1 127 . 10 1 1 X 13 13 VAL CB C 13 33.510 31.792 1.718 1
1 130 . 10 1 1 X 14 14 TRP H H 14 7.780 8.002 -0.222 1
1 131 . 10 1 1 X 14 14 TRP HA H 14 4.800 4.467 0.333 1
1 140 . 10 1 1 X 14 14 TRP CB C 14 29.030 27.980 1.050 1
1 146 . 10 1 1 X 15 15 PRO HA H 15 4.190 4.048 0.142 1
1 153 . 10 1 1 X 15 15 PRO CA C 15 66.860 65.541 1.319 1
1 154 . 10 1 1 X 15 15 PRO CB C 15 31.920 30.917 1.003 1
1 157 . 10 1 1 X 16 16 LEU H H 16 7.110 7.639 -0.529 1
1 158 . 10 1 1 X 16 16 LEU HA H 16 4.180 3.958 0.222 1
1 167 . 10 1 1 X 16 16 LEU CA C 16 58.170 57.770 0.400 1
1 168 . 10 1 1 X 16 16 LEU CB C 16 42.760 42.026 0.734 1
1 169 . 10 1 1 X 17 17 LEU H H 17 7.700 7.939 -0.239 1
1 170 . 10 1 1 X 17 17 LEU HA H 17 4.030 3.981 0.049 1
1 179 . 10 1 1 X 17 17 LEU CA C 17 59.060 58.045 1.015 1
1 180 . 10 1 1 X 18 18 LEU H H 18 7.790 7.737 0.053 1
1 181 . 10 1 1 X 18 18 LEU HA H 18 4.010 3.832 0.178 1
1 191 . 10 1 1 X 18 18 LEU CA C 18 58.910 57.966 0.944 1
1 192 . 10 1 1 X 18 18 LEU CB C 18 42.500 41.181 1.319 1
1 194 . 10 1 1 X 19 19 LEU H H 19 7.440 8.247 -0.807 1
1 195 . 10 1 1 X 19 19 LEU HA H 19 4.140 4.054 0.086 1
1 204 . 10 1 1 X 19 19 LEU CA C 19 58.860 57.912 0.948 1
1 205 . 10 1 1 X 19 19 LEU CB C 19 42.790 41.509 1.281 1
1 206 . 10 1 1 X 20 20 LEU H H 20 8.070 8.473 -0.403 1
1 207 . 10 1 1 X 20 20 LEU HA H 20 4.120 4.043 0.077 1
1 216 . 10 1 1 X 20 20 LEU CA C 20 58.590 57.866 0.724 1
1 217 . 10 1 1 X 20 20 LEU CB C 20 42.780 41.410 1.370 1
1 218 . 10 1 1 X 21 21 LEU H H 21 8.100 8.058 0.042 1
1 219 . 10 1 1 X 21 21 LEU HA H 21 4.260 3.967 0.293 1
1 228 . 10 1 1 X 21 21 LEU CA C 21 57.160 57.956 -0.796 1
1 229 . 10 1 1 X 21 21 LEU CB C 21 43.230 41.537 1.693 1
1 230 . 10 1 1 X 22 22 ALA H H 22 7.790 7.500 0.290 1
1 231 . 10 1 1 X 22 22 ALA HA H 22 4.360 4.352 0.008 1
1 235 . 10 1 1 X 22 22 ALA CA C 22 53.810 52.206 1.604 1
1 236 . 10 1 1 X 22 22 ALA CB C 22 19.990 19.121 0.869 1
1 237 . 10 1 1 X 23 23 LEU H H 23 7.620 7.812 -0.192 1
1 238 . 10 1 1 X 23 23 LEU HA H 23 4.610 4.765 -0.155 1
1 248 . 10 1 1 X 23 23 LEU CA C 23 54.620 51.285 3.335 1
1 249 . 10 1 1 X 23 23 LEU CB C 23 42.710 44.993 -2.283 1
1 251 . 10 1 1 X 24 24 PRO HA H 24 4.710 4.754 -0.044 1
1 258 . 10 1 1 X 24 24 PRO CB C 24 31.470 31.993 -0.523 1
1 260 . 10 1 1 X 25 25 PRO HA H 25 4.360 4.372 -0.012 1
1 267 . 10 1 1 X 25 25 PRO CA C 25 64.800 63.594 1.206 1
1 268 . 10 1 1 X 25 25 PRO CB C 25 32.510 32.196 0.314 1
1 270 . 10 1 1 X 26 26 ARG H H 26 7.830 8.833 -1.003 1
1 271 . 10 1 1 X 26 26 ARG HA H 26 4.260 3.961 0.299 1
1 279 . 10 1 1 X 26 26 ARG CA C 26 57.270 57.468 -0.198 1
1 280 . 10 1 1 X 26 26 ARG CB C 26 31.630 28.676 2.954 1
1 283 . 10 1 1 X 27 27 ALA H H 27 8.030 8.065 -0.035 1
1 284 . 10 1 1 X 27 27 ALA HA H 27 4.270 4.594 -0.324 1
1 288 . 10 1 1 X 27 27 ALA CA C 27 53.880 51.042 2.838 1
1 289 . 10 1 1 X 27 27 ALA CB C 27 19.920 18.962 0.958 1
1 290 . 10 1 1 X 28 28 TYR H H 28 7.580 8.239 -0.659 1
1 291 . 10 1 1 X 28 28 TYR HA H 28 4.620 4.743 -0.123 1
1 298 . 10 1 1 X 28 28 TYR CA C 28 58.240 59.498 -1.258 1
1 299 . 10 1 1 X 28 28 TYR CB C 28 39.910 41.044 -1.134 1
1 13 . 11 1 1 X 2 2 LEU H H 2 8.470 8.702 -0.232 1
1 14 . 11 1 1 X 2 2 LEU HA H 2 4.500 4.724 -0.224 1
1 23 . 11 1 1 X 2 2 LEU CA C 2 56.340 52.821 3.519 1
1 24 . 11 1 1 X 2 2 LEU CB C 2 43.690 45.194 -1.504 1
1 25 . 11 1 1 X 3 3 VAL H H 3 7.780 7.908 -0.128 1
1 26 . 11 1 1 X 3 3 VAL HA H 3 4.550 4.318 0.232 1
1 34 . 11 1 1 X 3 3 VAL CA C 3 60.380 60.550 -0.170 1
1 35 . 11 1 1 X 3 3 VAL CB C 3 33.980 31.913 2.067 1
1 38 . 11 1 1 X 4 4 PRO HA H 4 4.370 4.794 -0.424 1
1 45 . 11 1 1 X 4 4 PRO CA C 4 64.800 62.146 2.654 1
1 46 . 11 1 1 X 4 4 PRO CB C 4 32.660 33.275 -0.615 1
1 49 . 11 1 1 X 5 5 GLY H H 5 8.150 8.850 -0.700 1
1 50 . 11 1 1 X 5 5 GLY HA2 H 5 4.030 3.874 0.156 1
1 51 . 11 1 1 X 5 5 GLY HA3 H 5 3.900 3.972 -0.072 1
1 52 . 11 1 1 X 5 5 GLY CA C 5 46.820 47.098 -0.278 1
1 53 . 11 1 1 X 6 6 ALA H H 6 7.850 8.118 -0.268 1
1 54 . 11 1 1 X 6 6 ALA HA H 6 4.240 4.044 0.196 1
1 58 . 11 1 1 X 6 6 ALA CA C 6 54.770 55.011 -0.241 1
1 59 . 11 1 1 X 6 6 ALA CB C 6 19.380 18.738 0.642 1
1 60 . 11 1 1 X 7 7 ALA H H 7 7.920 7.738 0.182 1
1 61 . 11 1 1 X 7 7 ALA HA H 7 4.140 4.606 -0.466 1
1 65 . 11 1 1 X 7 7 ALA CA C 7 55.100 51.818 3.282 1
1 66 . 11 1 1 X 7 7 ALA CB C 7 18.850 19.203 -0.353 1
1 67 . 11 1 1 X 8 8 TYR H H 8 7.580 7.560 0.020 1
1 68 . 11 1 1 X 8 8 TYR HA H 8 4.370 4.149 0.221 1
1 75 . 11 1 1 X 8 8 TYR CA C 8 60.430 61.904 -1.474 1
1 76 . 11 1 1 X 8 8 TYR CB C 8 39.010 38.507 0.503 1
1 81 . 11 1 1 X 9 9 ALA H H 9 7.730 7.927 -0.197 1
1 82 . 11 1 1 X 9 9 ALA HA H 9 4.210 4.191 0.019 1
1 86 . 11 1 1 X 9 9 ALA CA C 9 55.020 55.155 -0.135 1
1 87 . 11 1 1 X 9 9 ALA CB C 9 19.180 18.204 0.976 1
1 88 . 11 1 1 X 10 10 LEU H H 10 7.760 8.331 -0.571 1
1 89 . 11 1 1 X 10 10 LEU HA H 10 4.240 4.096 0.144 1
1 98 . 11 1 1 X 10 10 LEU CA C 10 57.200 57.898 -0.698 1
1 99 . 11 1 1 X 10 10 LEU CB C 10 43.090 41.908 1.182 1
1 100 . 11 1 1 X 11 11 TYR HA H 11 4.450 4.701 -0.251 1
1 107 . 11 1 1 X 11 11 TYR CA C 11 60.160 59.329 0.831 1
1 108 . 11 1 1 X 11 11 TYR CB C 11 39.420 37.614 1.806 1
1 113 . 11 1 1 X 12 12 GLY H H 12 7.910 8.058 -0.148 1
1 114 . 11 1 1 X 12 12 GLY HA2 H 12 3.900 3.877 0.023 1
1 115 . 11 1 1 X 12 12 GLY HA3 H 12 3.900 3.877 0.023 1
1 116 . 11 1 1 X 12 12 GLY CA C 12 46.720 46.890 -0.170 1
1 117 . 11 1 1 X 13 13 VAL H H 13 7.650 7.910 -0.260 1
1 118 . 11 1 1 X 13 13 VAL HA H 13 4.330 4.009 0.321 1
1 126 . 11 1 1 X 13 13 VAL CA C 13 62.930 65.749 -2.819 1
1 127 . 11 1 1 X 13 13 VAL CB C 13 33.510 31.395 2.115 1
1 130 . 11 1 1 X 14 14 TRP H H 14 7.780 7.738 0.042 1
1 131 . 11 1 1 X 14 14 TRP HA H 14 4.800 4.416 0.384 1
1 140 . 11 1 1 X 14 14 TRP CB C 14 29.030 27.863 1.167 1
1 146 . 11 1 1 X 15 15 PRO HA H 15 4.190 4.010 0.180 1
1 153 . 11 1 1 X 15 15 PRO CA C 15 66.860 65.576 1.284 1
1 154 . 11 1 1 X 15 15 PRO CB C 15 31.920 30.877 1.043 1
1 157 . 11 1 1 X 16 16 LEU H H 16 7.110 7.682 -0.572 1
1 158 . 11 1 1 X 16 16 LEU HA H 16 4.180 4.017 0.163 1
1 167 . 11 1 1 X 16 16 LEU CA C 16 58.170 57.216 0.954 1
1 168 . 11 1 1 X 16 16 LEU CB C 16 42.760 42.113 0.647 1
1 169 . 11 1 1 X 17 17 LEU H H 17 7.700 7.967 -0.267 1
1 170 . 11 1 1 X 17 17 LEU HA H 17 4.030 4.011 0.019 1
1 179 . 11 1 1 X 17 17 LEU CA C 17 59.060 57.798 1.262 1
1 180 . 11 1 1 X 18 18 LEU H H 18 7.790 8.108 -0.318 1
1 181 . 11 1 1 X 18 18 LEU HA H 18 4.010 3.665 0.345 1
1 191 . 11 1 1 X 18 18 LEU CA C 18 58.910 57.758 1.152 1
1 192 . 11 1 1 X 18 18 LEU CB C 18 42.500 40.935 1.565 1
1 194 . 11 1 1 X 19 19 LEU H H 19 7.440 8.103 -0.663 1
1 195 . 11 1 1 X 19 19 LEU HA H 19 4.140 3.927 0.213 1
1 204 . 11 1 1 X 19 19 LEU CA C 19 58.860 57.891 0.969 1
1 205 . 11 1 1 X 19 19 LEU CB C 19 42.790 41.627 1.163 1
1 206 . 11 1 1 X 20 20 LEU H H 20 8.070 8.465 -0.395 1
1 207 . 11 1 1 X 20 20 LEU HA H 20 4.120 3.936 0.184 1
1 216 . 11 1 1 X 20 20 LEU CA C 20 58.590 58.013 0.577 1
1 217 . 11 1 1 X 20 20 LEU CB C 20 42.780 41.427 1.353 1
1 218 . 11 1 1 X 21 21 LEU H H 21 8.100 8.263 -0.163 1
1 219 . 11 1 1 X 21 21 LEU HA H 21 4.260 4.012 0.248 1
1 228 . 11 1 1 X 21 21 LEU CA C 21 57.160 57.515 -0.355 1
1 229 . 11 1 1 X 21 21 LEU CB C 21 43.230 41.325 1.905 1
1 230 . 11 1 1 X 22 22 ALA H H 22 7.790 7.630 0.160 1
1 231 . 11 1 1 X 22 22 ALA HA H 22 4.360 4.385 -0.025 1
1 235 . 11 1 1 X 22 22 ALA CA C 22 53.810 51.543 2.267 1
1 236 . 11 1 1 X 22 22 ALA CB C 22 19.990 19.437 0.553 1
1 237 . 11 1 1 X 23 23 LEU H H 23 7.620 7.345 0.275 1
1 238 . 11 1 1 X 23 23 LEU HA H 23 4.610 4.750 -0.140 1
1 248 . 11 1 1 X 23 23 LEU CA C 23 54.620 51.954 2.666 1
1 249 . 11 1 1 X 23 23 LEU CB C 23 42.710 42.908 -0.198 1
1 251 . 11 1 1 X 24 24 PRO HA H 24 4.710 4.675 0.035 1
1 258 . 11 1 1 X 24 24 PRO CB C 24 31.470 32.139 -0.669 1
1 260 . 11 1 1 X 25 25 PRO HA H 25 4.360 4.347 0.013 1
1 267 . 11 1 1 X 25 25 PRO CA C 25 64.800 65.889 -1.089 1
1 268 . 11 1 1 X 25 25 PRO CB C 25 32.510 31.649 0.861 1
1 270 . 11 1 1 X 26 26 ARG H H 26 7.830 8.522 -0.692 1
1 271 . 11 1 1 X 26 26 ARG HA H 26 4.260 4.631 -0.371 1
1 279 . 11 1 1 X 26 26 ARG CA C 26 57.270 56.471 0.799 1
1 280 . 11 1 1 X 26 26 ARG CB C 26 31.630 32.018 -0.388 1
1 283 . 11 1 1 X 27 27 ALA H H 27 8.030 7.709 0.321 1
1 284 . 11 1 1 X 27 27 ALA HA H 27 4.270 4.463 -0.193 1
1 288 . 11 1 1 X 27 27 ALA CA C 27 53.880 51.479 2.401 1
1 289 . 11 1 1 X 27 27 ALA CB C 27 19.920 18.893 1.027 1
1 290 . 11 1 1 X 28 28 TYR H H 28 7.580 7.667 -0.087 1
1 291 . 11 1 1 X 28 28 TYR HA H 28 4.620 4.497 0.123 1
1 298 . 11 1 1 X 28 28 TYR CA C 28 58.240 58.684 -0.444 1
1 299 . 11 1 1 X 28 28 TYR CB C 28 39.910 39.559 0.351 1
1 13 . 12 1 1 X 2 2 LEU H H 2 8.470 8.570 -0.100 1
1 14 . 12 1 1 X 2 2 LEU HA H 2 4.500 4.595 -0.095 1
1 23 . 12 1 1 X 2 2 LEU CA C 2 56.340 52.795 3.545 1
1 24 . 12 1 1 X 2 2 LEU CB C 2 43.690 43.737 -0.047 1
1 25 . 12 1 1 X 3 3 VAL H H 3 7.780 8.359 -0.579 1
1 26 . 12 1 1 X 3 3 VAL HA H 3 4.550 4.210 0.340 1
1 34 . 12 1 1 X 3 3 VAL CA C 3 60.380 61.179 -0.799 1
1 35 . 12 1 1 X 3 3 VAL CB C 3 33.980 31.480 2.500 1
1 38 . 12 1 1 X 4 4 PRO HA H 4 4.370 4.436 -0.066 1
1 45 . 12 1 1 X 4 4 PRO CA C 4 64.800 65.939 -1.139 1
1 46 . 12 1 1 X 4 4 PRO CB C 4 32.660 31.362 1.298 1
1 49 . 12 1 1 X 5 5 GLY H H 5 8.150 8.483 -0.333 1
1 50 . 12 1 1 X 5 5 GLY HA2 H 5 4.030 3.898 0.132 1
1 51 . 12 1 1 X 5 5 GLY HA3 H 5 3.900 3.961 -0.061 1
1 52 . 12 1 1 X 5 5 GLY CA C 5 46.820 47.024 -0.204 1
1 53 . 12 1 1 X 6 6 ALA H H 6 7.850 7.967 -0.117 1
1 54 . 12 1 1 X 6 6 ALA HA H 6 4.240 4.227 0.013 1
1 58 . 12 1 1 X 6 6 ALA CA C 6 54.770 53.950 0.820 1
1 59 . 12 1 1 X 6 6 ALA CB C 6 19.380 18.424 0.956 1
1 60 . 12 1 1 X 7 7 ALA H H 7 7.920 7.888 0.032 1
1 61 . 12 1 1 X 7 7 ALA HA H 7 4.140 4.793 -0.653 1
1 65 . 12 1 1 X 7 7 ALA CA C 7 55.100 51.271 3.829 1
1 66 . 12 1 1 X 7 7 ALA CB C 7 18.850 19.587 -0.737 1
1 67 . 12 1 1 X 8 8 TYR H H 8 7.580 7.777 -0.197 1
1 68 . 12 1 1 X 8 8 TYR HA H 8 4.370 4.601 -0.231 1
1 75 . 12 1 1 X 8 8 TYR CA C 8 60.430 59.696 0.734 1
1 76 . 12 1 1 X 8 8 TYR CB C 8 39.010 39.279 -0.269 1
1 81 . 12 1 1 X 9 9 ALA H H 9 7.730 8.061 -0.331 1
1 82 . 12 1 1 X 9 9 ALA HA H 9 4.210 4.158 0.052 1
1 86 . 12 1 1 X 9 9 ALA CA C 9 55.020 55.276 -0.256 1
1 87 . 12 1 1 X 9 9 ALA CB C 9 19.180 18.021 1.159 1
1 88 . 12 1 1 X 10 10 LEU H H 10 7.760 8.302 -0.542 1
1 89 . 12 1 1 X 10 10 LEU HA H 10 4.240 4.073 0.167 1
1 98 . 12 1 1 X 10 10 LEU CA C 10 57.200 57.832 -0.632 1
1 99 . 12 1 1 X 10 10 LEU CB C 10 43.090 41.675 1.415 1
1 100 . 12 1 1 X 11 11 TYR HA H 11 4.450 4.386 0.064 1
1 107 . 12 1 1 X 11 11 TYR CA C 11 60.160 61.426 -1.266 1
1 108 . 12 1 1 X 11 11 TYR CB C 11 39.420 37.014 2.406 1
1 113 . 12 1 1 X 12 12 GLY H H 12 7.910 8.368 -0.458 1
1 114 . 12 1 1 X 12 12 GLY HA2 H 12 3.900 3.826 0.074 1
1 115 . 12 1 1 X 12 12 GLY HA3 H 12 3.900 3.840 0.060 1
1 116 . 12 1 1 X 12 12 GLY CA C 12 46.720 47.107 -0.387 1
1 117 . 12 1 1 X 13 13 VAL H H 13 7.650 7.769 -0.119 1
1 118 . 12 1 1 X 13 13 VAL HA H 13 4.330 4.147 0.183 1
1 126 . 12 1 1 X 13 13 VAL CA C 13 62.930 63.406 -0.476 1
1 127 . 12 1 1 X 13 13 VAL CB C 13 33.510 31.958 1.552 1
1 130 . 12 1 1 X 14 14 TRP H H 14 7.780 7.636 0.144 1
1 131 . 12 1 1 X 14 14 TRP HA H 14 4.800 4.397 0.403 1
1 140 . 12 1 1 X 14 14 TRP CB C 14 29.030 27.853 1.177 1
1 146 . 12 1 1 X 15 15 PRO HA H 15 4.190 4.003 0.187 1
1 153 . 12 1 1 X 15 15 PRO CA C 15 66.860 65.469 1.391 1
1 154 . 12 1 1 X 15 15 PRO CB C 15 31.920 30.905 1.015 1
1 157 . 12 1 1 X 16 16 LEU H H 16 7.110 7.621 -0.511 1
1 158 . 12 1 1 X 16 16 LEU HA H 16 4.180 3.961 0.219 1
1 167 . 12 1 1 X 16 16 LEU CA C 16 58.170 57.699 0.471 1
1 168 . 12 1 1 X 16 16 LEU CB C 16 42.760 41.870 0.890 1
1 169 . 12 1 1 X 17 17 LEU H H 17 7.700 7.921 -0.221 1
1 170 . 12 1 1 X 17 17 LEU HA H 17 4.030 3.965 0.065 1
1 179 . 12 1 1 X 17 17 LEU CA C 17 59.060 58.058 1.002 1
1 180 . 12 1 1 X 18 18 LEU H H 18 7.790 7.628 0.162 1
1 181 . 12 1 1 X 18 18 LEU HA H 18 4.010 3.820 0.190 1
1 191 . 12 1 1 X 18 18 LEU CA C 18 58.910 57.896 1.014 1
1 192 . 12 1 1 X 18 18 LEU CB C 18 42.500 41.201 1.299 1
1 194 . 12 1 1 X 19 19 LEU H H 19 7.440 8.293 -0.853 1
1 195 . 12 1 1 X 19 19 LEU HA H 19 4.140 4.021 0.119 1
1 204 . 12 1 1 X 19 19 LEU CA C 19 58.860 57.869 0.991 1
1 205 . 12 1 1 X 19 19 LEU CB C 19 42.790 41.555 1.235 1
1 206 . 12 1 1 X 20 20 LEU H H 20 8.070 8.566 -0.496 1
1 207 . 12 1 1 X 20 20 LEU HA H 20 4.120 3.960 0.160 1
1 216 . 12 1 1 X 20 20 LEU CA C 20 58.590 58.077 0.513 1
1 217 . 12 1 1 X 20 20 LEU CB C 20 42.780 41.412 1.368 1
1 218 . 12 1 1 X 21 21 LEU H H 21 8.100 8.046 0.054 1
1 219 . 12 1 1 X 21 21 LEU HA H 21 4.260 3.947 0.313 1
1 228 . 12 1 1 X 21 21 LEU CA C 21 57.160 57.884 -0.724 1
1 229 . 12 1 1 X 21 21 LEU CB C 21 43.230 41.522 1.708 1
1 230 . 12 1 1 X 22 22 ALA H H 22 7.790 6.981 0.809 1
1 231 . 12 1 1 X 22 22 ALA HA H 22 4.360 4.367 -0.007 1
1 235 . 12 1 1 X 22 22 ALA CA C 22 53.810 52.035 1.775 1
1 236 . 12 1 1 X 22 22 ALA CB C 22 19.990 19.080 0.910 1
1 237 . 12 1 1 X 23 23 LEU H H 23 7.620 7.713 -0.093 1
1 238 . 12 1 1 X 23 23 LEU HA H 23 4.610 4.732 -0.122 1
1 248 . 12 1 1 X 23 23 LEU CA C 23 54.620 51.418 3.202 1
1 249 . 12 1 1 X 23 23 LEU CB C 23 42.710 44.809 -2.099 1
1 251 . 12 1 1 X 24 24 PRO HA H 24 4.710 4.856 -0.146 1
1 258 . 12 1 1 X 24 24 PRO CB C 24 31.470 31.923 -0.453 1
1 260 . 12 1 1 X 25 25 PRO HA H 25 4.360 4.470 -0.110 1
1 267 . 12 1 1 X 25 25 PRO CA C 25 64.800 62.746 2.054 1
1 268 . 12 1 1 X 25 25 PRO CB C 25 32.510 32.629 -0.119 1
1 270 . 12 1 1 X 26 26 ARG H H 26 7.830 8.734 -0.904 1
1 271 . 12 1 1 X 26 26 ARG HA H 26 4.260 3.881 0.379 1
1 279 . 12 1 1 X 26 26 ARG CA C 26 57.270 57.473 -0.203 1
1 280 . 12 1 1 X 26 26 ARG CB C 26 31.630 28.894 2.736 1
1 283 . 12 1 1 X 27 27 ALA H H 27 8.030 8.047 -0.017 1
1 284 . 12 1 1 X 27 27 ALA HA H 27 4.270 4.585 -0.315 1
1 288 . 12 1 1 X 27 27 ALA CA C 27 53.880 50.801 3.079 1
1 289 . 12 1 1 X 27 27 ALA CB C 27 19.920 19.351 0.569 1
1 290 . 12 1 1 X 28 28 TYR H H 28 7.580 8.956 -1.376 1
1 291 . 12 1 1 X 28 28 TYR HA H 28 4.620 4.081 0.539 1
1 298 . 12 1 1 X 28 28 TYR CA C 28 58.240 58.870 -0.630 1
1 299 . 12 1 1 X 28 28 TYR CB C 28 39.910 36.461 3.449 1
1 13 . 13 1 1 X 2 2 LEU H H 2 8.470 8.693 -0.223 1
1 14 . 13 1 1 X 2 2 LEU HA H 2 4.500 3.956 0.544 1
1 23 . 13 1 1 X 2 2 LEU CA C 2 56.340 55.711 0.629 1
1 24 . 13 1 1 X 2 2 LEU CB C 2 43.690 40.649 3.041 1
1 25 . 13 1 1 X 3 3 VAL H H 3 7.780 7.858 -0.078 1
1 26 . 13 1 1 X 3 3 VAL HA H 3 4.550 4.906 -0.356 1
1 34 . 13 1 1 X 3 3 VAL CA C 3 60.380 58.899 1.481 1
1 35 . 13 1 1 X 3 3 VAL CB C 3 33.980 34.447 -0.467 1
1 38 . 13 1 1 X 4 4 PRO HA H 4 4.370 4.587 -0.217 1
1 45 . 13 1 1 X 4 4 PRO CA C 4 64.800 62.697 2.103 1
1 46 . 13 1 1 X 4 4 PRO CB C 4 32.660 29.606 3.054 1
1 49 . 13 1 1 X 5 5 GLY H H 5 8.150 8.632 -0.482 1
1 50 . 13 1 1 X 5 5 GLY HA2 H 5 4.030 3.933 0.097 1
1 51 . 13 1 1 X 5 5 GLY HA3 H 5 3.900 3.991 -0.091 1
1 52 . 13 1 1 X 5 5 GLY CA C 5 46.820 45.349 1.471 1
1 53 . 13 1 1 X 6 6 ALA H H 6 7.850 8.241 -0.391 1
1 54 . 13 1 1 X 6 6 ALA HA H 6 4.240 4.036 0.204 1
1 58 . 13 1 1 X 6 6 ALA CA C 6 54.770 54.934 -0.164 1
1 59 . 13 1 1 X 6 6 ALA CB C 6 19.380 18.698 0.682 1
1 60 . 13 1 1 X 7 7 ALA H H 7 7.920 7.870 0.050 1
1 61 . 13 1 1 X 7 7 ALA HA H 7 4.140 4.878 -0.738 1
1 65 . 13 1 1 X 7 7 ALA CA C 7 55.100 51.321 3.779 1
1 66 . 13 1 1 X 7 7 ALA CB C 7 18.850 19.128 -0.278 1
1 67 . 13 1 1 X 8 8 TYR H H 8 7.580 7.941 -0.361 1
1 68 . 13 1 1 X 8 8 TYR HA H 8 4.370 4.590 -0.220 1
1 75 . 13 1 1 X 8 8 TYR CA C 8 60.430 60.381 0.049 1
1 76 . 13 1 1 X 8 8 TYR CB C 8 39.010 39.273 -0.263 1
1 81 . 13 1 1 X 9 9 ALA H H 9 7.730 8.110 -0.380 1
1 82 . 13 1 1 X 9 9 ALA HA H 9 4.210 4.181 0.029 1
1 86 . 13 1 1 X 9 9 ALA CA C 9 55.020 55.169 -0.149 1
1 87 . 13 1 1 X 9 9 ALA CB C 9 19.180 18.422 0.758 1
1 88 . 13 1 1 X 10 10 LEU H H 10 7.760 8.292 -0.532 1
1 89 . 13 1 1 X 10 10 LEU HA H 10 4.240 4.143 0.097 1
1 98 . 13 1 1 X 10 10 LEU CA C 10 57.200 58.048 -0.848 1
1 99 . 13 1 1 X 10 10 LEU CB C 10 43.090 41.906 1.184 1
1 100 . 13 1 1 X 11 11 TYR HA H 11 4.450 4.390 0.060 1
1 107 . 13 1 1 X 11 11 TYR CA C 11 60.160 62.146 -1.986 1
1 108 . 13 1 1 X 11 11 TYR CB C 11 39.420 36.760 2.660 1
1 113 . 13 1 1 X 12 12 GLY H H 12 7.910 8.107 -0.197 1
1 114 . 13 1 1 X 12 12 GLY HA2 H 12 3.900 3.707 0.193 1
1 115 . 13 1 1 X 12 12 GLY HA3 H 12 3.900 3.715 0.185 1
1 116 . 13 1 1 X 12 12 GLY CA C 12 46.720 47.132 -0.412 1
1 117 . 13 1 1 X 13 13 VAL H H 13 7.650 8.456 -0.806 1
1 118 . 13 1 1 X 13 13 VAL HA H 13 4.330 3.776 0.554 1
1 126 . 13 1 1 X 13 13 VAL CA C 13 62.930 65.594 -2.664 1
1 127 . 13 1 1 X 13 13 VAL CB C 13 33.510 30.974 2.536 1
1 130 . 13 1 1 X 14 14 TRP H H 14 7.780 7.837 -0.057 1
1 131 . 13 1 1 X 14 14 TRP HA H 14 4.800 4.519 0.281 1
1 140 . 13 1 1 X 14 14 TRP CB C 14 29.030 28.026 1.004 1
1 146 . 13 1 1 X 15 15 PRO HA H 15 4.190 4.517 -0.327 1
1 153 . 13 1 1 X 15 15 PRO CA C 15 66.860 65.063 1.797 1
1 154 . 13 1 1 X 15 15 PRO CB C 15 31.920 31.448 0.472 1
1 157 . 13 1 1 X 16 16 LEU H H 16 7.110 7.711 -0.601 1
1 158 . 13 1 1 X 16 16 LEU HA H 16 4.180 4.055 0.125 1
1 167 . 13 1 1 X 16 16 LEU CA C 16 58.170 57.729 0.441 1
1 168 . 13 1 1 X 16 16 LEU CB C 16 42.760 41.847 0.913 1
1 169 . 13 1 1 X 17 17 LEU H H 17 7.700 7.772 -0.072 1
1 170 . 13 1 1 X 17 17 LEU HA H 17 4.030 3.913 0.117 1
1 179 . 13 1 1 X 17 17 LEU CA C 17 59.060 57.762 1.298 1
1 180 . 13 1 1 X 18 18 LEU H H 18 7.790 7.440 0.350 1
1 181 . 13 1 1 X 18 18 LEU HA H 18 4.010 4.013 -0.003 1
1 191 . 13 1 1 X 18 18 LEU CA C 18 58.910 57.812 1.098 1
1 192 . 13 1 1 X 18 18 LEU CB C 18 42.500 41.519 0.981 1
1 194 . 13 1 1 X 19 19 LEU H H 19 7.440 7.677 -0.237 1
1 195 . 13 1 1 X 19 19 LEU HA H 19 4.140 4.040 0.100 1
1 204 . 13 1 1 X 19 19 LEU CA C 19 58.860 58.062 0.798 1
1 205 . 13 1 1 X 19 19 LEU CB C 19 42.790 41.722 1.068 1
1 206 . 13 1 1 X 20 20 LEU H H 20 8.070 8.097 -0.027 1
1 207 . 13 1 1 X 20 20 LEU HA H 20 4.120 3.882 0.238 1
1 216 . 13 1 1 X 20 20 LEU CA C 20 58.590 58.002 0.588 1
1 217 . 13 1 1 X 20 20 LEU CB C 20 42.780 41.387 1.393 1
1 218 . 13 1 1 X 21 21 LEU H H 21 8.100 7.693 0.407 1
1 219 . 13 1 1 X 21 21 LEU HA H 21 4.260 3.959 0.301 1
1 228 . 13 1 1 X 21 21 LEU CA C 21 57.160 57.775 -0.615 1
1 229 . 13 1 1 X 21 21 LEU CB C 21 43.230 41.454 1.776 1
1 230 . 13 1 1 X 22 22 ALA H H 22 7.790 7.373 0.417 1
1 231 . 13 1 1 X 22 22 ALA HA H 22 4.360 4.401 -0.041 1
1 235 . 13 1 1 X 22 22 ALA CA C 22 53.810 51.547 2.263 1
1 236 . 13 1 1 X 22 22 ALA CB C 22 19.990 19.227 0.763 1
1 237 . 13 1 1 X 23 23 LEU H H 23 7.620 7.212 0.408 1
1 238 . 13 1 1 X 23 23 LEU HA H 23 4.610 4.743 -0.133 1
1 248 . 13 1 1 X 23 23 LEU CA C 23 54.620 51.340 3.280 1
1 249 . 13 1 1 X 23 23 LEU CB C 23 42.710 45.075 -2.365 1
1 251 . 13 1 1 X 24 24 PRO HA H 24 4.710 4.357 0.353 1
1 258 . 13 1 1 X 24 24 PRO CB C 24 31.470 31.827 -0.357 1
1 260 . 13 1 1 X 25 25 PRO HA H 25 4.360 4.453 -0.093 1
1 267 . 13 1 1 X 25 25 PRO CA C 25 64.800 62.794 2.006 1
1 268 . 13 1 1 X 25 25 PRO CB C 25 32.510 32.615 -0.105 1
1 270 . 13 1 1 X 26 26 ARG H H 26 7.830 8.860 -1.030 1
1 271 . 13 1 1 X 26 26 ARG HA H 26 4.260 3.569 0.691 1
1 279 . 13 1 1 X 26 26 ARG CA C 26 57.270 56.621 0.649 1
1 280 . 13 1 1 X 26 26 ARG CB C 26 31.630 27.735 3.895 1
1 283 . 13 1 1 X 27 27 ALA H H 27 8.030 8.297 -0.267 1
1 284 . 13 1 1 X 27 27 ALA HA H 27 4.270 4.537 -0.267 1
1 288 . 13 1 1 X 27 27 ALA CA C 27 53.880 51.371 2.509 1
1 289 . 13 1 1 X 27 27 ALA CB C 27 19.920 19.305 0.615 1
1 290 . 13 1 1 X 28 28 TYR H H 28 7.580 7.420 0.160 1
1 291 . 13 1 1 X 28 28 TYR HA H 28 4.620 4.818 -0.198 1
1 298 . 13 1 1 X 28 28 TYR CA C 28 58.240 57.593 0.647 1
1 299 . 13 1 1 X 28 28 TYR CB C 28 39.910 40.497 -0.587 1
1 13 . 14 1 1 X 2 2 LEU H H 2 8.470 8.864 -0.394 1
1 14 . 14 1 1 X 2 2 LEU HA H 2 4.500 3.946 0.554 1
1 23 . 14 1 1 X 2 2 LEU CA C 2 56.340 55.733 0.607 1
1 24 . 14 1 1 X 2 2 LEU CB C 2 43.690 40.762 2.928 1
1 25 . 14 1 1 X 3 3 VAL H H 3 7.780 7.883 -0.103 1
1 26 . 14 1 1 X 3 3 VAL HA H 3 4.550 4.266 0.284 1
1 34 . 14 1 1 X 3 3 VAL CA C 3 60.380 60.928 -0.548 1
1 35 . 14 1 1 X 3 3 VAL CB C 3 33.980 31.409 2.571 1
1 38 . 14 1 1 X 4 4 PRO HA H 4 4.370 4.483 -0.113 1
1 45 . 14 1 1 X 4 4 PRO CA C 4 64.800 63.271 1.529 1
1 46 . 14 1 1 X 4 4 PRO CB C 4 32.660 31.112 1.548 1
1 49 . 14 1 1 X 5 5 GLY H H 5 8.150 7.951 0.199 1
1 50 . 14 1 1 X 5 5 GLY HA2 H 5 4.030 3.971 0.059 1
1 51 . 14 1 1 X 5 5 GLY HA3 H 5 3.900 3.993 -0.093 1
1 52 . 14 1 1 X 5 5 GLY CA C 5 46.820 45.329 1.491 1
1 53 . 14 1 1 X 6 6 ALA H H 6 7.850 8.200 -0.350 1
1 54 . 14 1 1 X 6 6 ALA HA H 6 4.240 3.994 0.246 1
1 58 . 14 1 1 X 6 6 ALA CA C 6 54.770 55.139 -0.369 1
1 59 . 14 1 1 X 6 6 ALA CB C 6 19.380 18.758 0.622 1
1 60 . 14 1 1 X 7 7 ALA H H 7 7.920 7.829 0.091 1
1 61 . 14 1 1 X 7 7 ALA HA H 7 4.140 4.537 -0.397 1
1 65 . 14 1 1 X 7 7 ALA CA C 7 55.100 51.278 3.822 1
1 66 . 14 1 1 X 7 7 ALA CB C 7 18.850 18.655 0.195 1
1 67 . 14 1 1 X 8 8 TYR H H 8 7.580 8.132 -0.552 1
1 68 . 14 1 1 X 8 8 TYR HA H 8 4.370 4.472 -0.102 1
1 75 . 14 1 1 X 8 8 TYR CA C 8 60.430 60.566 -0.136 1
1 76 . 14 1 1 X 8 8 TYR CB C 8 39.010 39.318 -0.308 1
1 81 . 14 1 1 X 9 9 ALA H H 9 7.730 8.206 -0.476 1
1 82 . 14 1 1 X 9 9 ALA HA H 9 4.210 4.103 0.107 1
1 86 . 14 1 1 X 9 9 ALA CA C 9 55.020 55.274 -0.254 1
1 87 . 14 1 1 X 9 9 ALA CB C 9 19.180 17.972 1.208 1
1 88 . 14 1 1 X 10 10 LEU H H 10 7.760 8.193 -0.433 1
1 89 . 14 1 1 X 10 10 LEU HA H 10 4.240 4.140 0.100 1
1 98 . 14 1 1 X 10 10 LEU CA C 10 57.200 57.951 -0.751 1
1 99 . 14 1 1 X 10 10 LEU CB C 10 43.090 41.940 1.150 1
1 100 . 14 1 1 X 11 11 TYR HA H 11 4.450 4.386 0.064 1
1 107 . 14 1 1 X 11 11 TYR CA C 11 60.160 62.876 -2.716 1
1 108 . 14 1 1 X 11 11 TYR CB C 11 39.420 36.470 2.950 1
1 113 . 14 1 1 X 12 12 GLY H H 12 7.910 8.063 -0.153 1
1 114 . 14 1 1 X 12 12 GLY HA2 H 12 3.900 3.591 0.309 1
1 115 . 14 1 1 X 12 12 GLY HA3 H 12 3.900 3.600 0.300 1
1 116 . 14 1 1 X 12 12 GLY CA C 12 46.720 47.205 -0.485 1
1 117 . 14 1 1 X 13 13 VAL H H 13 7.650 7.678 -0.028 1
1 118 . 14 1 1 X 13 13 VAL HA H 13 4.330 4.027 0.303 1
1 126 . 14 1 1 X 13 13 VAL CA C 13 62.930 64.282 -1.352 1
1 127 . 14 1 1 X 13 13 VAL CB C 13 33.510 31.894 1.616 1
1 130 . 14 1 1 X 14 14 TRP H H 14 7.780 7.787 -0.007 1
1 131 . 14 1 1 X 14 14 TRP HA H 14 4.800 4.418 0.382 1
1 140 . 14 1 1 X 14 14 TRP CB C 14 29.030 27.799 1.231 1
1 146 . 14 1 1 X 15 15 PRO HA H 15 4.190 4.107 0.083 1
1 153 . 14 1 1 X 15 15 PRO CA C 15 66.860 65.404 1.456 1
1 154 . 14 1 1 X 15 15 PRO CB C 15 31.920 31.139 0.781 1
1 157 . 14 1 1 X 16 16 LEU H H 16 7.110 7.509 -0.399 1
1 158 . 14 1 1 X 16 16 LEU HA H 16 4.180 3.934 0.246 1
1 167 . 14 1 1 X 16 16 LEU CA C 16 58.170 57.617 0.553 1
1 168 . 14 1 1 X 16 16 LEU CB C 16 42.760 41.624 1.136 1
1 169 . 14 1 1 X 17 17 LEU H H 17 7.700 7.676 0.024 1
1 170 . 14 1 1 X 17 17 LEU HA H 17 4.030 3.945 0.085 1
1 179 . 14 1 1 X 17 17 LEU CA C 17 59.060 57.776 1.284 1
1 180 . 14 1 1 X 18 18 LEU H H 18 7.790 7.568 0.222 1
1 181 . 14 1 1 X 18 18 LEU HA H 18 4.010 3.770 0.240 1
1 191 . 14 1 1 X 18 18 LEU CA C 18 58.910 57.568 1.342 1
1 192 . 14 1 1 X 18 18 LEU CB C 18 42.500 41.130 1.370 1
1 194 . 14 1 1 X 19 19 LEU H H 19 7.440 8.116 -0.676 1
1 195 . 14 1 1 X 19 19 LEU HA H 19 4.140 3.915 0.225 1
1 204 . 14 1 1 X 19 19 LEU CA C 19 58.860 57.873 0.987 1
1 205 . 14 1 1 X 19 19 LEU CB C 19 42.790 41.556 1.234 1
1 206 . 14 1 1 X 20 20 LEU H H 20 8.070 8.027 0.043 1
1 207 . 14 1 1 X 20 20 LEU HA H 20 4.120 3.917 0.203 1
1 216 . 14 1 1 X 20 20 LEU CA C 20 58.590 57.922 0.668 1
1 217 . 14 1 1 X 20 20 LEU CB C 20 42.780 41.350 1.430 1
1 218 . 14 1 1 X 21 21 LEU H H 21 8.100 8.153 -0.053 1
1 219 . 14 1 1 X 21 21 LEU HA H 21 4.260 3.931 0.329 1
1 228 . 14 1 1 X 21 21 LEU CA C 21 57.160 57.628 -0.468 1
1 229 . 14 1 1 X 21 21 LEU CB C 21 43.230 41.404 1.826 1
1 230 . 14 1 1 X 22 22 ALA H H 22 7.790 7.562 0.228 1
1 231 . 14 1 1 X 22 22 ALA HA H 22 4.360 4.288 0.072 1
1 235 . 14 1 1 X 22 22 ALA CA C 22 53.810 52.698 1.112 1
1 236 . 14 1 1 X 22 22 ALA CB C 22 19.990 19.398 0.592 1
1 237 . 14 1 1 X 23 23 LEU H H 23 7.620 7.580 0.040 1
1 238 . 14 1 1 X 23 23 LEU HA H 23 4.610 4.696 -0.086 1
1 248 . 14 1 1 X 23 23 LEU CA C 23 54.620 51.894 2.726 1
1 249 . 14 1 1 X 23 23 LEU CB C 23 42.710 42.536 0.174 1
1 251 . 14 1 1 X 24 24 PRO HA H 24 4.710 4.618 0.092 1
1 258 . 14 1 1 X 24 24 PRO CB C 24 31.470 31.876 -0.406 1
1 260 . 14 1 1 X 25 25 PRO HA H 25 4.360 4.635 -0.275 1
1 267 . 14 1 1 X 25 25 PRO CA C 25 64.800 62.550 2.250 1
1 268 . 14 1 1 X 25 25 PRO CB C 25 32.510 33.547 -1.037 1
1 270 . 14 1 1 X 26 26 ARG H H 26 7.830 8.857 -1.027 1
1 271 . 14 1 1 X 26 26 ARG HA H 26 4.260 4.502 -0.242 1
1 279 . 14 1 1 X 26 26 ARG CA C 26 57.270 57.281 -0.011 1
1 280 . 14 1 1 X 26 26 ARG CB C 26 31.630 33.103 -1.473 1
1 283 . 14 1 1 X 27 27 ALA H H 27 8.030 8.384 -0.354 1
1 284 . 14 1 1 X 27 27 ALA HA H 27 4.270 4.660 -0.390 1
1 288 . 14 1 1 X 27 27 ALA CA C 27 53.880 53.350 0.530 1
1 289 . 14 1 1 X 27 27 ALA CB C 27 19.920 20.743 -0.823 1
1 290 . 14 1 1 X 28 28 TYR H H 28 7.580 8.161 -0.581 1
1 291 . 14 1 1 X 28 28 TYR HA H 28 4.620 4.625 -0.005 1
1 298 . 14 1 1 X 28 28 TYR CA C 28 58.240 59.356 -1.116 1
1 299 . 14 1 1 X 28 28 TYR CB C 28 39.910 39.855 0.055 1
1 13 . 15 1 1 X 2 2 LEU H H 2 8.470 8.843 -0.373 1
1 14 . 15 1 1 X 2 2 LEU HA H 2 4.500 4.975 -0.475 1
1 23 . 15 1 1 X 2 2 LEU CA C 2 56.340 53.797 2.543 1
1 24 . 15 1 1 X 2 2 LEU CB C 2 43.690 45.472 -1.782 1
1 25 . 15 1 1 X 3 3 VAL H H 3 7.780 8.591 -0.811 1
1 26 . 15 1 1 X 3 3 VAL HA H 3 4.550 4.600 -0.050 1
1 34 . 15 1 1 X 3 3 VAL CA C 3 60.380 58.739 1.641 1
1 35 . 15 1 1 X 3 3 VAL CB C 3 33.980 35.562 -1.582 1
1 38 . 15 1 1 X 4 4 PRO HA H 4 4.370 4.523 -0.153 1
1 45 . 15 1 1 X 4 4 PRO CA C 4 64.800 63.047 1.753 1
1 46 . 15 1 1 X 4 4 PRO CB C 4 32.660 29.713 2.947 1
1 49 . 15 1 1 X 5 5 GLY H H 5 8.150 8.450 -0.300 1
1 50 . 15 1 1 X 5 5 GLY HA2 H 5 4.030 3.878 0.152 1
1 51 . 15 1 1 X 5 5 GLY HA3 H 5 3.900 3.938 -0.038 1
1 52 . 15 1 1 X 5 5 GLY CA C 5 46.820 45.551 1.269 1
1 53 . 15 1 1 X 6 6 ALA H H 6 7.850 8.189 -0.339 1
1 54 . 15 1 1 X 6 6 ALA HA H 6 4.240 4.008 0.232 1
1 58 . 15 1 1 X 6 6 ALA CA C 6 54.770 53.410 1.360 1
1 59 . 15 1 1 X 6 6 ALA CB C 6 19.380 17.326 2.054 1
1 60 . 15 1 1 X 7 7 ALA H H 7 7.920 8.254 -0.334 1
1 61 . 15 1 1 X 7 7 ALA HA H 7 4.140 4.152 -0.012 1
1 65 . 15 1 1 X 7 7 ALA CA C 7 55.100 53.616 1.484 1
1 66 . 15 1 1 X 7 7 ALA CB C 7 18.850 17.943 0.907 1
1 67 . 15 1 1 X 8 8 TYR H H 8 7.580 8.021 -0.441 1
1 68 . 15 1 1 X 8 8 TYR HA H 8 4.370 4.303 0.067 1
1 75 . 15 1 1 X 8 8 TYR CA C 8 60.430 60.774 -0.344 1
1 76 . 15 1 1 X 8 8 TYR CB C 8 39.010 38.739 0.271 1
1 81 . 15 1 1 X 9 9 ALA H H 9 7.730 7.927 -0.197 1
1 82 . 15 1 1 X 9 9 ALA HA H 9 4.210 4.285 -0.075 1
1 86 . 15 1 1 X 9 9 ALA CA C 9 55.020 52.989 2.031 1
1 87 . 15 1 1 X 9 9 ALA CB C 9 19.180 18.603 0.577 1
1 88 . 15 1 1 X 10 10 LEU H H 10 7.760 8.142 -0.382 1
1 89 . 15 1 1 X 10 10 LEU HA H 10 4.240 4.733 -0.493 1
1 98 . 15 1 1 X 10 10 LEU CA C 10 57.200 56.641 0.559 1
1 99 . 15 1 1 X 10 10 LEU CB C 10 43.090 44.997 -1.907 1
1 100 . 15 1 1 X 11 11 TYR HA H 11 4.450 4.411 0.039 1
1 107 . 15 1 1 X 11 11 TYR CA C 11 60.160 61.062 -0.902 1
1 108 . 15 1 1 X 11 11 TYR CB C 11 39.420 37.513 1.907 1
1 113 . 15 1 1 X 12 12 GLY H H 12 7.910 7.871 0.039 1
1 114 . 15 1 1 X 12 12 GLY HA2 H 12 3.900 3.676 0.224 1
1 115 . 15 1 1 X 12 12 GLY HA3 H 12 3.900 3.687 0.213 1
1 116 . 15 1 1 X 12 12 GLY CA C 12 46.720 46.991 -0.271 1
1 117 . 15 1 1 X 13 13 VAL H H 13 7.650 8.105 -0.455 1
1 118 . 15 1 1 X 13 13 VAL HA H 13 4.330 4.046 0.284 1
1 126 . 15 1 1 X 13 13 VAL CA C 13 62.930 64.865 -1.935 1
1 127 . 15 1 1 X 13 13 VAL CB C 13 33.510 31.386 2.124 1
1 130 . 15 1 1 X 14 14 TRP H H 14 7.780 8.105 -0.325 1
1 131 . 15 1 1 X 14 14 TRP HA H 14 4.800 4.411 0.389 1
1 140 . 15 1 1 X 14 14 TRP CB C 14 29.030 27.862 1.168 1
1 146 . 15 1 1 X 15 15 PRO HA H 15 4.190 3.979 0.211 1
1 153 . 15 1 1 X 15 15 PRO CA C 15 66.860 65.608 1.252 1
1 154 . 15 1 1 X 15 15 PRO CB C 15 31.920 30.621 1.299 1
1 157 . 15 1 1 X 16 16 LEU H H 16 7.110 7.643 -0.533 1
1 158 . 15 1 1 X 16 16 LEU HA H 16 4.180 3.936 0.244 1
1 167 . 15 1 1 X 16 16 LEU CA C 16 58.170 57.614 0.556 1
1 168 . 15 1 1 X 16 16 LEU CB C 16 42.760 41.791 0.969 1
1 169 . 15 1 1 X 17 17 LEU H H 17 7.700 8.016 -0.316 1
1 170 . 15 1 1 X 17 17 LEU HA H 17 4.030 4.016 0.014 1
1 179 . 15 1 1 X 17 17 LEU CA C 17 59.060 57.878 1.182 1
1 180 . 15 1 1 X 18 18 LEU H H 18 7.790 7.766 0.024 1
1 181 . 15 1 1 X 18 18 LEU HA H 18 4.010 3.828 0.182 1
1 191 . 15 1 1 X 18 18 LEU CA C 18 58.910 57.873 1.037 1
1 192 . 15 1 1 X 18 18 LEU CB C 18 42.500 41.273 1.227 1
1 194 . 15 1 1 X 19 19 LEU H H 19 7.440 8.352 -0.912 1
1 195 . 15 1 1 X 19 19 LEU HA H 19 4.140 3.945 0.195 1
1 204 . 15 1 1 X 19 19 LEU CA C 19 58.860 57.831 1.029 1
1 205 . 15 1 1 X 19 19 LEU CB C 19 42.790 41.626 1.164 1
1 206 . 15 1 1 X 20 20 LEU H H 20 8.070 8.431 -0.361 1
1 207 . 15 1 1 X 20 20 LEU HA H 20 4.120 4.031 0.089 1
1 216 . 15 1 1 X 20 20 LEU CA C 20 58.590 57.963 0.627 1
1 217 . 15 1 1 X 20 20 LEU CB C 20 42.780 41.652 1.128 1
1 218 . 15 1 1 X 21 21 LEU H H 21 8.100 8.535 -0.435 1
1 219 . 15 1 1 X 21 21 LEU HA H 21 4.260 3.978 0.282 1
1 228 . 15 1 1 X 21 21 LEU CA C 21 57.160 57.776 -0.616 1
1 229 . 15 1 1 X 21 21 LEU CB C 21 43.230 41.489 1.741 1
1 230 . 15 1 1 X 22 22 ALA H H 22 7.790 7.326 0.464 1
1 231 . 15 1 1 X 22 22 ALA HA H 22 4.360 4.412 -0.052 1
1 235 . 15 1 1 X 22 22 ALA CA C 22 53.810 51.718 2.092 1
1 236 . 15 1 1 X 22 22 ALA CB C 22 19.990 18.850 1.140 1
1 237 . 15 1 1 X 23 23 LEU H H 23 7.620 7.180 0.440 1
1 238 . 15 1 1 X 23 23 LEU HA H 23 4.610 4.944 -0.334 1
1 248 . 15 1 1 X 23 23 LEU CA C 23 54.620 51.416 3.204 1
1 249 . 15 1 1 X 23 23 LEU CB C 23 42.710 45.282 -2.572 1
1 251 . 15 1 1 X 24 24 PRO HA H 24 4.710 4.763 -0.053 1
1 258 . 15 1 1 X 24 24 PRO CB C 24 31.470 31.910 -0.440 1
1 260 . 15 1 1 X 25 25 PRO HA H 25 4.360 4.573 -0.213 1
1 267 . 15 1 1 X 25 25 PRO CA C 25 64.800 62.289 2.511 1
1 268 . 15 1 1 X 25 25 PRO CB C 25 32.510 33.216 -0.706 1
1 270 . 15 1 1 X 26 26 ARG H H 26 7.830 8.634 -0.804 1
1 271 . 15 1 1 X 26 26 ARG HA H 26 4.260 4.368 -0.108 1
1 279 . 15 1 1 X 26 26 ARG CA C 26 57.270 58.040 -0.770 1
1 280 . 15 1 1 X 26 26 ARG CB C 26 31.630 31.538 0.092 1
1 283 . 15 1 1 X 27 27 ALA H H 27 8.030 7.753 0.277 1
1 284 . 15 1 1 X 27 27 ALA HA H 27 4.270 4.565 -0.295 1
1 288 . 15 1 1 X 27 27 ALA CA C 27 53.880 51.233 2.647 1
1 289 . 15 1 1 X 27 27 ALA CB C 27 19.920 19.288 0.632 1
1 290 . 15 1 1 X 28 28 TYR H H 28 7.580 8.159 -0.579 1
1 291 . 15 1 1 X 28 28 TYR HA H 28 4.620 4.460 0.160 1
1 298 . 15 1 1 X 28 28 TYR CA C 28 58.240 59.541 -1.301 1
1 299 . 15 1 1 X 28 28 TYR CB C 28 39.910 37.586 2.324 1
1 13 . 16 1 1 X 2 2 LEU H H 2 8.470 8.283 0.187 1
1 14 . 16 1 1 X 2 2 LEU HA H 2 4.500 4.427 0.073 1
1 23 . 16 1 1 X 2 2 LEU CA C 2 56.340 55.618 0.722 1
1 24 . 16 1 1 X 2 2 LEU CB C 2 43.690 42.353 1.337 1
1 25 . 16 1 1 X 3 3 VAL H H 3 7.780 8.703 -0.923 1
1 26 . 16 1 1 X 3 3 VAL HA H 3 4.550 4.880 -0.330 1
1 34 . 16 1 1 X 3 3 VAL CA C 3 60.380 58.028 2.352 1
1 35 . 16 1 1 X 3 3 VAL CB C 3 33.980 34.539 -0.559 1
1 38 . 16 1 1 X 4 4 PRO HA H 4 4.370 4.728 -0.358 1
1 45 . 16 1 1 X 4 4 PRO CA C 4 64.800 62.245 2.555 1
1 46 . 16 1 1 X 4 4 PRO CB C 4 32.660 33.196 -0.536 1
1 49 . 16 1 1 X 5 5 GLY H H 5 8.150 8.755 -0.605 1
1 50 . 16 1 1 X 5 5 GLY HA2 H 5 4.030 3.852 0.178 1
1 51 . 16 1 1 X 5 5 GLY HA3 H 5 3.900 3.902 -0.002 1
1 52 . 16 1 1 X 5 5 GLY CA C 5 46.820 47.047 -0.227 1
1 53 . 16 1 1 X 6 6 ALA H H 6 7.850 8.133 -0.283 1
1 54 . 16 1 1 X 6 6 ALA HA H 6 4.240 4.088 0.152 1
1 58 . 16 1 1 X 6 6 ALA CA C 6 54.770 54.938 -0.168 1
1 59 . 16 1 1 X 6 6 ALA CB C 6 19.380 18.752 0.628 1
1 60 . 16 1 1 X 7 7 ALA H H 7 7.920 7.446 0.474 1
1 61 . 16 1 1 X 7 7 ALA HA H 7 4.140 4.745 -0.605 1
1 65 . 16 1 1 X 7 7 ALA CA C 7 55.100 51.352 3.748 1
1 66 . 16 1 1 X 7 7 ALA CB C 7 18.850 19.194 -0.344 1
1 67 . 16 1 1 X 8 8 TYR H H 8 7.580 8.133 -0.553 1
1 68 . 16 1 1 X 8 8 TYR HA H 8 4.370 4.275 0.095 1
1 75 . 16 1 1 X 8 8 TYR CA C 8 60.430 61.474 -1.044 1
1 76 . 16 1 1 X 8 8 TYR CB C 8 39.010 39.188 -0.178 1
1 81 . 16 1 1 X 9 9 ALA H H 9 7.730 8.005 -0.275 1
1 82 . 16 1 1 X 9 9 ALA HA H 9 4.210 4.215 -0.005 1
1 86 . 16 1 1 X 9 9 ALA CA C 9 55.020 55.300 -0.280 1
1 87 . 16 1 1 X 9 9 ALA CB C 9 19.180 17.837 1.343 1
1 88 . 16 1 1 X 10 10 LEU H H 10 7.760 8.220 -0.460 1
1 89 . 16 1 1 X 10 10 LEU HA H 10 4.240 4.108 0.132 1
1 98 . 16 1 1 X 10 10 LEU CA C 10 57.200 58.066 -0.866 1
1 99 . 16 1 1 X 10 10 LEU CB C 10 43.090 42.036 1.054 1
1 100 . 16 1 1 X 11 11 TYR HA H 11 4.450 4.356 0.094 1
1 107 . 16 1 1 X 11 11 TYR CA C 11 60.160 62.579 -2.419 1
1 108 . 16 1 1 X 11 11 TYR CB C 11 39.420 36.515 2.905 1
1 113 . 16 1 1 X 12 12 GLY H H 12 7.910 8.388 -0.478 1
1 114 . 16 1 1 X 12 12 GLY HA2 H 12 3.900 3.755 0.145 1
1 115 . 16 1 1 X 12 12 GLY HA3 H 12 3.900 3.775 0.125 1
1 116 . 16 1 1 X 12 12 GLY CA C 12 46.720 47.220 -0.500 1
1 117 . 16 1 1 X 13 13 VAL H H 13 7.650 7.815 -0.165 1
1 118 . 16 1 1 X 13 13 VAL HA H 13 4.330 4.056 0.274 1
1 126 . 16 1 1 X 13 13 VAL CA C 13 62.930 64.552 -1.622 1
1 127 . 16 1 1 X 13 13 VAL CB C 13 33.510 31.650 1.860 1
1 130 . 16 1 1 X 14 14 TRP H H 14 7.780 8.037 -0.257 1
1 131 . 16 1 1 X 14 14 TRP HA H 14 4.800 4.384 0.416 1
1 140 . 16 1 1 X 14 14 TRP CB C 14 29.030 27.977 1.053 1
1 146 . 16 1 1 X 15 15 PRO HA H 15 4.190 4.510 -0.320 1
1 153 . 16 1 1 X 15 15 PRO CA C 15 66.860 65.644 1.216 1
1 154 . 16 1 1 X 15 15 PRO CB C 15 31.920 31.370 0.550 1
1 157 . 16 1 1 X 16 16 LEU H H 16 7.110 7.660 -0.550 1
1 158 . 16 1 1 X 16 16 LEU HA H 16 4.180 3.999 0.181 1
1 167 . 16 1 1 X 16 16 LEU CA C 16 58.170 57.574 0.596 1
1 168 . 16 1 1 X 16 16 LEU CB C 16 42.760 41.795 0.965 1
1 169 . 16 1 1 X 17 17 LEU H H 17 7.700 7.673 0.027 1
1 170 . 16 1 1 X 17 17 LEU HA H 17 4.030 3.923 0.107 1
1 179 . 16 1 1 X 17 17 LEU CA C 17 59.060 57.794 1.266 1
1 180 . 16 1 1 X 18 18 LEU H H 18 7.790 7.481 0.309 1
1 181 . 16 1 1 X 18 18 LEU HA H 18 4.010 3.955 0.055 1
1 191 . 16 1 1 X 18 18 LEU CA C 18 58.910 57.493 1.417 1
1 192 . 16 1 1 X 18 18 LEU CB C 18 42.500 41.410 1.090 1
1 194 . 16 1 1 X 19 19 LEU H H 19 7.440 8.533 -1.093 1
1 195 . 16 1 1 X 19 19 LEU HA H 19 4.140 3.957 0.183 1
1 204 . 16 1 1 X 19 19 LEU CA C 19 58.860 58.018 0.842 1
1 205 . 16 1 1 X 19 19 LEU CB C 19 42.790 41.616 1.174 1
1 206 . 16 1 1 X 20 20 LEU H H 20 8.070 8.131 -0.061 1
1 207 . 16 1 1 X 20 20 LEU HA H 20 4.120 4.078 0.042 1
1 216 . 16 1 1 X 20 20 LEU CA C 20 58.590 57.662 0.928 1
1 217 . 16 1 1 X 20 20 LEU CB C 20 42.780 41.387 1.393 1
1 218 . 16 1 1 X 21 21 LEU H H 21 8.100 8.293 -0.193 1
1 219 . 16 1 1 X 21 21 LEU HA H 21 4.260 3.948 0.312 1
1 228 . 16 1 1 X 21 21 LEU CA C 21 57.160 57.940 -0.780 1
1 229 . 16 1 1 X 21 21 LEU CB C 21 43.230 41.598 1.632 1
1 230 . 16 1 1 X 22 22 ALA H H 22 7.790 7.322 0.468 1
1 231 . 16 1 1 X 22 22 ALA HA H 22 4.360 4.438 -0.078 1
1 235 . 16 1 1 X 22 22 ALA CA C 22 53.810 51.509 2.301 1
1 236 . 16 1 1 X 22 22 ALA CB C 22 19.990 18.934 1.056 1
1 237 . 16 1 1 X 23 23 LEU H H 23 7.620 7.325 0.295 1
1 238 . 16 1 1 X 23 23 LEU HA H 23 4.610 4.745 -0.135 1
1 248 . 16 1 1 X 23 23 LEU CA C 23 54.620 52.357 2.263 1
1 249 . 16 1 1 X 23 23 LEU CB C 23 42.710 44.463 -1.753 1
1 251 . 16 1 1 X 24 24 PRO HA H 24 4.710 4.808 -0.098 1
1 258 . 16 1 1 X 24 24 PRO CB C 24 31.470 32.068 -0.598 1
1 260 . 16 1 1 X 25 25 PRO HA H 25 4.360 4.787 -0.427 1
1 267 . 16 1 1 X 25 25 PRO CA C 25 64.800 62.581 2.219 1
1 268 . 16 1 1 X 25 25 PRO CB C 25 32.510 32.751 -0.241 1
1 270 . 16 1 1 X 26 26 ARG H H 26 7.830 9.028 -1.198 1
1 271 . 16 1 1 X 26 26 ARG HA H 26 4.260 4.522 -0.262 1
1 279 . 16 1 1 X 26 26 ARG CA C 26 57.270 55.615 1.655 1
1 280 . 16 1 1 X 26 26 ARG CB C 26 31.630 29.640 1.990 1
1 283 . 16 1 1 X 27 27 ALA H H 27 8.030 7.877 0.153 1
1 284 . 16 1 1 X 27 27 ALA HA H 27 4.270 4.040 0.230 1
1 288 . 16 1 1 X 27 27 ALA CA C 27 53.880 53.245 0.635 1
1 289 . 16 1 1 X 27 27 ALA CB C 27 19.920 17.088 2.832 1
1 290 . 16 1 1 X 28 28 TYR H H 28 7.580 7.905 -0.325 1
1 291 . 16 1 1 X 28 28 TYR HA H 28 4.620 4.844 -0.224 1
1 298 . 16 1 1 X 28 28 TYR CA C 28 58.240 57.366 0.874 1
1 299 . 16 1 1 X 28 28 TYR CB C 28 39.910 40.604 -0.694 1
1 13 . 17 1 1 X 2 2 LEU H H 2 8.470 8.887 -0.417 1
1 14 . 17 1 1 X 2 2 LEU HA H 2 4.500 3.820 0.680 1
1 23 . 17 1 1 X 2 2 LEU CA C 2 56.340 55.908 0.432 1
1 24 . 17 1 1 X 2 2 LEU CB C 2 43.690 40.563 3.127 1
1 25 . 17 1 1 X 3 3 VAL H H 3 7.780 7.721 0.059 1
1 26 . 17 1 1 X 3 3 VAL HA H 3 4.550 4.637 -0.087 1
1 34 . 17 1 1 X 3 3 VAL CA C 3 60.380 57.950 2.430 1
1 35 . 17 1 1 X 3 3 VAL CB C 3 33.980 35.738 -1.758 1
1 38 . 17 1 1 X 4 4 PRO HA H 4 4.370 4.356 0.014 1
1 45 . 17 1 1 X 4 4 PRO CA C 4 64.800 62.504 2.296 1
1 46 . 17 1 1 X 4 4 PRO CB C 4 32.660 29.653 3.007 1
1 49 . 17 1 1 X 5 5 GLY H H 5 8.150 7.823 0.327 1
1 50 . 17 1 1 X 5 5 GLY HA2 H 5 4.030 3.870 0.160 1
1 51 . 17 1 1 X 5 5 GLY HA3 H 5 3.900 3.886 0.014 1
1 52 . 17 1 1 X 5 5 GLY CA C 5 46.820 45.209 1.611 1
1 53 . 17 1 1 X 6 6 ALA H H 6 7.850 8.130 -0.280 1
1 54 . 17 1 1 X 6 6 ALA HA H 6 4.240 4.013 0.227 1
1 58 . 17 1 1 X 6 6 ALA CA C 6 54.770 54.971 -0.201 1
1 59 . 17 1 1 X 6 6 ALA CB C 6 19.380 19.003 0.377 1
1 60 . 17 1 1 X 7 7 ALA H H 7 7.920 7.662 0.258 1
1 61 . 17 1 1 X 7 7 ALA HA H 7 4.140 4.805 -0.665 1
1 65 . 17 1 1 X 7 7 ALA CA C 7 55.100 51.397 3.703 1
1 66 . 17 1 1 X 7 7 ALA CB C 7 18.850 19.738 -0.888 1
1 67 . 17 1 1 X 8 8 TYR H H 8 7.580 8.159 -0.579 1
1 68 . 17 1 1 X 8 8 TYR HA H 8 4.370 4.509 -0.139 1
1 75 . 17 1 1 X 8 8 TYR CA C 8 60.430 60.252 0.178 1
1 76 . 17 1 1 X 8 8 TYR CB C 8 39.010 39.507 -0.497 1
1 81 . 17 1 1 X 9 9 ALA H H 9 7.730 8.012 -0.282 1
1 82 . 17 1 1 X 9 9 ALA HA H 9 4.210 4.265 -0.055 1
1 86 . 17 1 1 X 9 9 ALA CA C 9 55.020 54.465 0.555 1
1 87 . 17 1 1 X 9 9 ALA CB C 9 19.180 18.460 0.720 1
1 88 . 17 1 1 X 10 10 LEU H H 10 7.760 7.918 -0.158 1
1 89 . 17 1 1 X 10 10 LEU HA H 10 4.240 4.297 -0.057 1
1 98 . 17 1 1 X 10 10 LEU CA C 10 57.200 57.468 -0.268 1
1 99 . 17 1 1 X 10 10 LEU CB C 10 43.090 42.271 0.819 1
1 100 . 17 1 1 X 11 11 TYR HA H 11 4.450 4.400 0.050 1
1 107 . 17 1 1 X 11 11 TYR CA C 11 60.160 61.119 -0.959 1
1 108 . 17 1 1 X 11 11 TYR CB C 11 39.420 36.922 2.498 1
1 113 . 17 1 1 X 12 12 GLY H H 12 7.910 8.355 -0.445 1
1 114 . 17 1 1 X 12 12 GLY HA2 H 12 3.900 3.937 -0.037 1
1 115 . 17 1 1 X 12 12 GLY HA3 H 12 3.900 3.953 -0.053 1
1 116 . 17 1 1 X 12 12 GLY CA C 12 46.720 45.680 1.040 1
1 117 . 17 1 1 X 13 13 VAL H H 13 7.650 7.605 0.045 1
1 118 . 17 1 1 X 13 13 VAL HA H 13 4.330 4.083 0.247 1
1 126 . 17 1 1 X 13 13 VAL CA C 13 62.930 64.253 -1.323 1
1 127 . 17 1 1 X 13 13 VAL CB C 13 33.510 32.692 0.818 1
1 130 . 17 1 1 X 14 14 TRP H H 14 7.780 8.238 -0.458 1
1 131 . 17 1 1 X 14 14 TRP HA H 14 4.800 4.442 0.358 1
1 140 . 17 1 1 X 14 14 TRP CB C 14 29.030 27.698 1.332 1
1 146 . 17 1 1 X 15 15 PRO HA H 15 4.190 4.049 0.141 1
1 153 . 17 1 1 X 15 15 PRO CA C 15 66.860 65.587 1.273 1
1 154 . 17 1 1 X 15 15 PRO CB C 15 31.920 30.768 1.152 1
1 157 . 17 1 1 X 16 16 LEU H H 16 7.110 7.663 -0.553 1
1 158 . 17 1 1 X 16 16 LEU HA H 16 4.180 4.020 0.160 1
1 167 . 17 1 1 X 16 16 LEU CA C 16 58.170 57.441 0.729 1
1 168 . 17 1 1 X 16 16 LEU CB C 16 42.760 42.014 0.746 1
1 169 . 17 1 1 X 17 17 LEU H H 17 7.700 8.445 -0.745 1
1 170 . 17 1 1 X 17 17 LEU HA H 17 4.030 3.955 0.075 1
1 179 . 17 1 1 X 17 17 LEU CA C 17 59.060 57.932 1.128 1
1 180 . 17 1 1 X 18 18 LEU H H 18 7.790 7.955 -0.165 1
1 181 . 17 1 1 X 18 18 LEU HA H 18 4.010 3.735 0.275 1
1 191 . 17 1 1 X 18 18 LEU CA C 18 58.910 57.873 1.037 1
1 192 . 17 1 1 X 18 18 LEU CB C 18 42.500 41.128 1.372 1
1 194 . 17 1 1 X 19 19 LEU H H 19 7.440 8.478 -1.038 1
1 195 . 17 1 1 X 19 19 LEU HA H 19 4.140 3.961 0.179 1
1 204 . 17 1 1 X 19 19 LEU CA C 19 58.860 57.807 1.053 1
1 205 . 17 1 1 X 19 19 LEU CB C 19 42.790 41.545 1.245 1
1 206 . 17 1 1 X 20 20 LEU H H 20 8.070 8.467 -0.397 1
1 207 . 17 1 1 X 20 20 LEU HA H 20 4.120 3.981 0.139 1
1 216 . 17 1 1 X 20 20 LEU CA C 20 58.590 57.965 0.625 1
1 217 . 17 1 1 X 20 20 LEU CB C 20 42.780 41.344 1.436 1
1 218 . 17 1 1 X 21 21 LEU H H 21 8.100 8.029 0.071 1
1 219 . 17 1 1 X 21 21 LEU HA H 21 4.260 3.946 0.314 1
1 228 . 17 1 1 X 21 21 LEU CA C 21 57.160 57.903 -0.743 1
1 229 . 17 1 1 X 21 21 LEU CB C 21 43.230 41.607 1.623 1
1 230 . 17 1 1 X 22 22 ALA H H 22 7.790 7.196 0.594 1
1 231 . 17 1 1 X 22 22 ALA HA H 22 4.360 4.470 -0.110 1
1 235 . 17 1 1 X 22 22 ALA CA C 22 53.810 50.947 2.863 1
1 236 . 17 1 1 X 22 22 ALA CB C 22 19.990 19.396 0.594 1
1 237 . 17 1 1 X 23 23 LEU H H 23 7.620 6.989 0.631 1
1 238 . 17 1 1 X 23 23 LEU HA H 23 4.610 4.620 -0.010 1
1 248 . 17 1 1 X 23 23 LEU CA C 23 54.620 52.934 1.686 1
1 249 . 17 1 1 X 23 23 LEU CB C 23 42.710 41.972 0.738 1
1 251 . 17 1 1 X 24 24 PRO HA H 24 4.710 4.708 0.002 1
1 258 . 17 1 1 X 24 24 PRO CB C 24 31.470 32.191 -0.721 1
1 260 . 17 1 1 X 25 25 PRO HA H 25 4.360 4.670 -0.310 1
1 267 . 17 1 1 X 25 25 PRO CA C 25 64.800 62.498 2.302 1
1 268 . 17 1 1 X 25 25 PRO CB C 25 32.510 32.786 -0.276 1
1 270 . 17 1 1 X 26 26 ARG H H 26 7.830 8.441 -0.611 1
1 271 . 17 1 1 X 26 26 ARG HA H 26 4.260 4.546 -0.286 1
1 279 . 17 1 1 X 26 26 ARG CA C 26 57.270 56.624 0.646 1
1 280 . 17 1 1 X 26 26 ARG CB C 26 31.630 31.722 -0.092 1
1 283 . 17 1 1 X 27 27 ALA H H 27 8.030 7.776 0.254 1
1 284 . 17 1 1 X 27 27 ALA HA H 27 4.270 4.475 -0.205 1
1 288 . 17 1 1 X 27 27 ALA CA C 27 53.880 51.526 2.354 1
1 289 . 17 1 1 X 27 27 ALA CB C 27 19.920 19.578 0.342 1
1 290 . 17 1 1 X 28 28 TYR H H 28 7.580 7.709 -0.129 1
1 291 . 17 1 1 X 28 28 TYR HA H 28 4.620 4.872 -0.252 1
1 298 . 17 1 1 X 28 28 TYR CA C 28 58.240 57.510 0.730 1
1 299 . 17 1 1 X 28 28 TYR CB C 28 39.910 40.280 -0.370 1
1 13 . 18 1 1 X 2 2 LEU H H 2 8.470 8.655 -0.185 1
1 14 . 18 1 1 X 2 2 LEU HA H 2 4.500 4.965 -0.465 1
1 23 . 18 1 1 X 2 2 LEU CA C 2 56.340 54.495 1.845 1
1 24 . 18 1 1 X 2 2 LEU CB C 2 43.690 45.971 -2.281 1
1 25 . 18 1 1 X 3 3 VAL H H 3 7.780 8.759 -0.979 1
1 26 . 18 1 1 X 3 3 VAL HA H 3 4.550 4.843 -0.293 1
1 34 . 18 1 1 X 3 3 VAL CA C 3 60.380 57.980 2.400 1
1 35 . 18 1 1 X 3 3 VAL CB C 3 33.980 34.994 -1.014 1
1 38 . 18 1 1 X 4 4 PRO HA H 4 4.370 4.474 -0.104 1
1 45 . 18 1 1 X 4 4 PRO CA C 4 64.800 63.068 1.732 1
1 46 . 18 1 1 X 4 4 PRO CB C 4 32.660 29.762 2.898 1
1 49 . 18 1 1 X 5 5 GLY H H 5 8.150 8.699 -0.549 1
1 50 . 18 1 1 X 5 5 GLY HA2 H 5 4.030 3.931 0.099 1
1 51 . 18 1 1 X 5 5 GLY HA3 H 5 3.900 3.961 -0.061 1
1 52 . 18 1 1 X 5 5 GLY CA C 5 46.820 46.362 0.458 1
1 53 . 18 1 1 X 6 6 ALA H H 6 7.850 8.268 -0.418 1
1 54 . 18 1 1 X 6 6 ALA HA H 6 4.240 4.082 0.158 1
1 58 . 18 1 1 X 6 6 ALA CA C 6 54.770 53.383 1.387 1
1 59 . 18 1 1 X 6 6 ALA CB C 6 19.380 17.468 1.912 1
1 60 . 18 1 1 X 7 7 ALA H H 7 7.920 8.270 -0.350 1
1 61 . 18 1 1 X 7 7 ALA HA H 7 4.140 4.138 0.002 1
1 65 . 18 1 1 X 7 7 ALA CA C 7 55.100 54.077 1.023 1
1 66 . 18 1 1 X 7 7 ALA CB C 7 18.850 18.261 0.589 1
1 67 . 18 1 1 X 8 8 TYR H H 8 7.580 8.358 -0.778 1
1 68 . 18 1 1 X 8 8 TYR HA H 8 4.370 4.484 -0.114 1
1 75 . 18 1 1 X 8 8 TYR CA C 8 60.430 60.505 -0.075 1
1 76 . 18 1 1 X 8 8 TYR CB C 8 39.010 38.989 0.021 1
1 81 . 18 1 1 X 9 9 ALA H H 9 7.730 7.967 -0.237 1
1 82 . 18 1 1 X 9 9 ALA HA H 9 4.210 4.324 -0.114 1
1 86 . 18 1 1 X 9 9 ALA CA C 9 55.020 53.533 1.487 1
1 87 . 18 1 1 X 9 9 ALA CB C 9 19.180 18.659 0.521 1
1 88 . 18 1 1 X 10 10 LEU H H 10 7.760 7.992 -0.232 1
1 89 . 18 1 1 X 10 10 LEU HA H 10 4.240 4.569 -0.329 1
1 98 . 18 1 1 X 10 10 LEU CA C 10 57.200 56.788 0.412 1
1 99 . 18 1 1 X 10 10 LEU CB C 10 43.090 44.148 -1.058 1
1 100 . 18 1 1 X 11 11 TYR HA H 11 4.450 4.407 0.043 1
1 107 . 18 1 1 X 11 11 TYR CA C 11 60.160 61.012 -0.852 1
1 108 . 18 1 1 X 11 11 TYR CB C 11 39.420 37.120 2.300 1
1 113 . 18 1 1 X 12 12 GLY H H 12 7.910 7.910 0.000 1
1 114 . 18 1 1 X 12 12 GLY HA2 H 12 3.900 4.001 -0.101 1
1 115 . 18 1 1 X 12 12 GLY HA3 H 12 3.900 4.021 -0.121 1
1 116 . 18 1 1 X 12 12 GLY CA C 12 46.720 45.679 1.041 1
1 117 . 18 1 1 X 13 13 VAL H H 13 7.650 7.909 -0.259 1
1 118 . 18 1 1 X 13 13 VAL HA H 13 4.330 4.163 0.167 1
1 126 . 18 1 1 X 13 13 VAL CA C 13 62.930 64.108 -1.178 1
1 127 . 18 1 1 X 13 13 VAL CB C 13 33.510 32.936 0.574 1
1 130 . 18 1 1 X 14 14 TRP H H 14 7.780 8.413 -0.633 1
1 131 . 18 1 1 X 14 14 TRP HA H 14 4.800 4.452 0.348 1
1 140 . 18 1 1 X 14 14 TRP CB C 14 29.030 27.661 1.369 1
1 146 . 18 1 1 X 15 15 PRO HA H 15 4.190 4.018 0.172 1
1 153 . 18 1 1 X 15 15 PRO CA C 15 66.860 65.510 1.350 1
1 154 . 18 1 1 X 15 15 PRO CB C 15 31.920 30.853 1.067 1
1 157 . 18 1 1 X 16 16 LEU H H 16 7.110 7.612 -0.502 1
1 158 . 18 1 1 X 16 16 LEU HA H 16 4.180 3.937 0.243 1
1 167 . 18 1 1 X 16 16 LEU CA C 16 58.170 57.587 0.583 1
1 168 . 18 1 1 X 16 16 LEU CB C 16 42.760 41.909 0.851 1
1 169 . 18 1 1 X 17 17 LEU H H 17 7.700 8.056 -0.356 1
1 170 . 18 1 1 X 17 17 LEU HA H 17 4.030 3.983 0.047 1
1 179 . 18 1 1 X 17 17 LEU CA C 17 59.060 57.916 1.144 1
1 180 . 18 1 1 X 18 18 LEU H H 18 7.790 7.789 0.001 1
1 181 . 18 1 1 X 18 18 LEU HA H 18 4.010 3.743 0.267 1
1 191 . 18 1 1 X 18 18 LEU CA C 18 58.910 57.962 0.948 1
1 192 . 18 1 1 X 18 18 LEU CB C 18 42.500 41.117 1.383 1
1 194 . 18 1 1 X 19 19 LEU H H 19 7.440 8.373 -0.933 1
1 195 . 18 1 1 X 19 19 LEU HA H 19 4.140 3.992 0.148 1
1 204 . 18 1 1 X 19 19 LEU CA C 19 58.860 57.797 1.063 1
1 205 . 18 1 1 X 19 19 LEU CB C 19 42.790 41.575 1.215 1
1 206 . 18 1 1 X 20 20 LEU H H 20 8.070 8.252 -0.182 1
1 207 . 18 1 1 X 20 20 LEU HA H 20 4.120 4.027 0.093 1
1 216 . 18 1 1 X 20 20 LEU CA C 20 58.590 57.619 0.971 1
1 217 . 18 1 1 X 20 20 LEU CB C 20 42.780 41.156 1.624 1
1 218 . 18 1 1 X 21 21 LEU H H 21 8.100 8.057 0.043 1
1 219 . 18 1 1 X 21 21 LEU HA H 21 4.260 3.958 0.302 1
1 228 . 18 1 1 X 21 21 LEU CA C 21 57.160 57.940 -0.780 1
1 229 . 18 1 1 X 21 21 LEU CB C 21 43.230 41.757 1.473 1
1 230 . 18 1 1 X 22 22 ALA H H 22 7.790 7.313 0.477 1
1 231 . 18 1 1 X 22 22 ALA HA H 22 4.360 4.461 -0.101 1
1 235 . 18 1 1 X 22 22 ALA CA C 22 53.810 50.925 2.885 1
1 236 . 18 1 1 X 22 22 ALA CB C 22 19.990 19.435 0.555 1
1 237 . 18 1 1 X 23 23 LEU H H 23 7.620 6.934 0.686 1
1 238 . 18 1 1 X 23 23 LEU HA H 23 4.610 4.591 0.019 1
1 248 . 18 1 1 X 23 23 LEU CA C 23 54.620 53.002 1.618 1
1 249 . 18 1 1 X 23 23 LEU CB C 23 42.710 41.837 0.873 1
1 251 . 18 1 1 X 24 24 PRO HA H 24 4.710 4.737 -0.027 1
1 258 . 18 1 1 X 24 24 PRO CB C 24 31.470 31.906 -0.436 1
1 260 . 18 1 1 X 25 25 PRO HA H 25 4.360 4.685 -0.325 1
1 267 . 18 1 1 X 25 25 PRO CA C 25 64.800 62.597 2.203 1
1 268 . 18 1 1 X 25 25 PRO CB C 25 32.510 32.584 -0.074 1
1 270 . 18 1 1 X 26 26 ARG H H 26 7.830 9.039 -1.209 1
1 271 . 18 1 1 X 26 26 ARG HA H 26 4.260 4.436 -0.176 1
1 279 . 18 1 1 X 26 26 ARG CA C 26 57.270 57.623 -0.353 1
1 280 . 18 1 1 X 26 26 ARG CB C 26 31.630 31.208 0.422 1
1 283 . 18 1 1 X 27 27 ALA H H 27 8.030 7.691 0.339 1
1 284 . 18 1 1 X 27 27 ALA HA H 27 4.270 4.657 -0.387 1
1 288 . 18 1 1 X 27 27 ALA CA C 27 53.880 50.504 3.376 1
1 289 . 18 1 1 X 27 27 ALA CB C 27 19.920 18.852 1.068 1
1 290 . 18 1 1 X 28 28 TYR H H 28 7.580 7.841 -0.261 1
1 291 . 18 1 1 X 28 28 TYR HA H 28 4.620 4.651 -0.031 1
1 298 . 18 1 1 X 28 28 TYR CA C 28 58.240 58.565 -0.325 1
1 299 . 18 1 1 X 28 28 TYR CB C 28 39.910 39.437 0.473 1
1 13 . 19 1 1 X 2 2 LEU H H 2 8.470 7.721 0.749 1
1 14 . 19 1 1 X 2 2 LEU HA H 2 4.500 4.587 -0.087 1
1 23 . 19 1 1 X 2 2 LEU CA C 2 56.340 53.764 2.576 1
1 24 . 19 1 1 X 2 2 LEU CB C 2 43.690 42.678 1.012 1
1 25 . 19 1 1 X 3 3 VAL H H 3 7.780 7.610 0.170 1
1 26 . 19 1 1 X 3 3 VAL HA H 3 4.550 4.510 0.040 1
1 34 . 19 1 1 X 3 3 VAL CA C 3 60.380 58.880 1.500 1
1 35 . 19 1 1 X 3 3 VAL CB C 3 33.980 35.466 -1.486 1
1 38 . 19 1 1 X 4 4 PRO HA H 4 4.370 4.451 -0.081 1
1 45 . 19 1 1 X 4 4 PRO CA C 4 64.800 63.529 1.271 1
1 46 . 19 1 1 X 4 4 PRO CB C 4 32.660 31.105 1.555 1
1 49 . 19 1 1 X 5 5 GLY H H 5 8.150 8.792 -0.642 1
1 50 . 19 1 1 X 5 5 GLY HA2 H 5 4.030 3.921 0.109 1
1 51 . 19 1 1 X 5 5 GLY HA3 H 5 3.900 3.932 -0.032 1
1 52 . 19 1 1 X 5 5 GLY CA C 5 46.820 45.636 1.184 1
1 53 . 19 1 1 X 6 6 ALA H H 6 7.850 8.195 -0.345 1
1 54 . 19 1 1 X 6 6 ALA HA H 6 4.240 4.047 0.193 1
1 58 . 19 1 1 X 6 6 ALA CA C 6 54.770 54.819 -0.049 1
1 59 . 19 1 1 X 6 6 ALA CB C 6 19.380 18.696 0.684 1
1 60 . 19 1 1 X 7 7 ALA H H 7 7.920 7.986 -0.066 1
1 61 . 19 1 1 X 7 7 ALA HA H 7 4.140 4.673 -0.533 1
1 65 . 19 1 1 X 7 7 ALA CA C 7 55.100 51.928 3.172 1
1 66 . 19 1 1 X 7 7 ALA CB C 7 18.850 19.096 -0.246 1
1 67 . 19 1 1 X 8 8 TYR H H 8 7.580 8.003 -0.423 1
1 68 . 19 1 1 X 8 8 TYR HA H 8 4.370 4.601 -0.231 1
1 75 . 19 1 1 X 8 8 TYR CA C 8 60.430 59.941 0.489 1
1 76 . 19 1 1 X 8 8 TYR CB C 8 39.010 39.585 -0.575 1
1 81 . 19 1 1 X 9 9 ALA H H 9 7.730 8.215 -0.485 1
1 82 . 19 1 1 X 9 9 ALA HA H 9 4.210 4.149 0.061 1
1 86 . 19 1 1 X 9 9 ALA CA C 9 55.020 55.330 -0.310 1
1 87 . 19 1 1 X 9 9 ALA CB C 9 19.180 18.107 1.073 1
1 88 . 19 1 1 X 10 10 LEU H H 10 7.760 8.280 -0.520 1
1 89 . 19 1 1 X 10 10 LEU HA H 10 4.240 4.103 0.137 1
1 98 . 19 1 1 X 10 10 LEU CA C 10 57.200 58.151 -0.951 1
1 99 . 19 1 1 X 10 10 LEU CB C 10 43.090 41.860 1.230 1
1 100 . 19 1 1 X 11 11 TYR HA H 11 4.450 4.513 -0.063 1
1 107 . 19 1 1 X 11 11 TYR CA C 11 60.160 60.739 -0.579 1
1 108 . 19 1 1 X 11 11 TYR CB C 11 39.420 37.116 2.304 1
1 113 . 19 1 1 X 12 12 GLY H H 12 7.910 8.028 -0.118 1
1 114 . 19 1 1 X 12 12 GLY HA2 H 12 3.900 3.969 -0.069 1
1 115 . 19 1 1 X 12 12 GLY HA3 H 12 3.900 3.979 -0.079 1
1 116 . 19 1 1 X 12 12 GLY CA C 12 46.720 45.767 0.953 1
1 117 . 19 1 1 X 13 13 VAL H H 13 7.650 7.306 0.344 1
1 118 . 19 1 1 X 13 13 VAL HA H 13 4.330 4.317 0.013 1
1 126 . 19 1 1 X 13 13 VAL CA C 13 62.930 62.728 0.202 1
1 127 . 19 1 1 X 13 13 VAL CB C 13 33.510 33.025 0.485 1
1 130 . 19 1 1 X 14 14 TRP H H 14 7.780 7.884 -0.104 1
1 131 . 19 1 1 X 14 14 TRP HA H 14 4.800 4.419 0.381 1
1 140 . 19 1 1 X 14 14 TRP CB C 14 29.030 27.957 1.073 1
1 146 . 19 1 1 X 15 15 PRO HA H 15 4.190 4.057 0.133 1
1 153 . 19 1 1 X 15 15 PRO CA C 15 66.860 65.567 1.293 1
1 154 . 19 1 1 X 15 15 PRO CB C 15 31.920 30.636 1.284 1
1 157 . 19 1 1 X 16 16 LEU H H 16 7.110 7.650 -0.540 1
1 158 . 19 1 1 X 16 16 LEU HA H 16 4.180 3.943 0.237 1
1 167 . 19 1 1 X 16 16 LEU CA C 16 58.170 57.701 0.469 1
1 168 . 19 1 1 X 16 16 LEU CB C 16 42.760 41.932 0.828 1
1 169 . 19 1 1 X 17 17 LEU H H 17 7.700 8.127 -0.427 1
1 170 . 19 1 1 X 17 17 LEU HA H 17 4.030 3.950 0.080 1
1 179 . 19 1 1 X 17 17 LEU CA C 17 59.060 58.073 0.987 1
1 180 . 19 1 1 X 18 18 LEU H H 18 7.790 7.737 0.053 1
1 181 . 19 1 1 X 18 18 LEU HA H 18 4.010 3.834 0.176 1
1 191 . 19 1 1 X 18 18 LEU CA C 18 58.910 57.944 0.966 1
1 192 . 19 1 1 X 18 18 LEU CB C 18 42.500 41.311 1.189 1
1 194 . 19 1 1 X 19 19 LEU H H 19 7.440 8.411 -0.971 1
1 195 . 19 1 1 X 19 19 LEU HA H 19 4.140 4.005 0.135 1
1 204 . 19 1 1 X 19 19 LEU CA C 19 58.860 57.565 1.295 1
1 205 . 19 1 1 X 19 19 LEU CB C 19 42.790 41.485 1.305 1
1 206 . 19 1 1 X 20 20 LEU H H 20 8.070 8.405 -0.335 1
1 207 . 19 1 1 X 20 20 LEU HA H 20 4.120 4.057 0.063 1
1 216 . 19 1 1 X 20 20 LEU CA C 20 58.590 57.865 0.725 1
1 217 . 19 1 1 X 20 20 LEU CB C 20 42.780 41.547 1.233 1
1 218 . 19 1 1 X 21 21 LEU H H 21 8.100 8.012 0.088 1
1 219 . 19 1 1 X 21 21 LEU HA H 21 4.260 3.978 0.282 1
1 228 . 19 1 1 X 21 21 LEU CA C 21 57.160 57.764 -0.604 1
1 229 . 19 1 1 X 21 21 LEU CB C 21 43.230 41.632 1.598 1
1 230 . 19 1 1 X 22 22 ALA H H 22 7.790 7.916 -0.126 1
1 231 . 19 1 1 X 22 22 ALA HA H 22 4.360 4.491 -0.131 1
1 235 . 19 1 1 X 22 22 ALA CA C 22 53.810 50.923 2.887 1
1 236 . 19 1 1 X 22 22 ALA CB C 22 19.990 19.743 0.247 1
1 237 . 19 1 1 X 23 23 LEU H H 23 7.620 7.122 0.498 1
1 238 . 19 1 1 X 23 23 LEU HA H 23 4.610 4.607 0.003 1
1 248 . 19 1 1 X 23 23 LEU CA C 23 54.620 52.847 1.773 1
1 249 . 19 1 1 X 23 23 LEU CB C 23 42.710 42.106 0.604 1
1 251 . 19 1 1 X 24 24 PRO HA H 24 4.710 4.725 -0.015 1
1 258 . 19 1 1 X 24 24 PRO CB C 24 31.470 32.074 -0.604 1
1 260 . 19 1 1 X 25 25 PRO HA H 25 4.360 4.728 -0.368 1
1 267 . 19 1 1 X 25 25 PRO CA C 25 64.800 62.769 2.031 1
1 268 . 19 1 1 X 25 25 PRO CB C 25 32.510 32.969 -0.459 1
1 270 . 19 1 1 X 26 26 ARG H H 26 7.830 8.840 -1.010 1
1 271 . 19 1 1 X 26 26 ARG HA H 26 4.260 4.583 -0.323 1
1 279 . 19 1 1 X 26 26 ARG CA C 26 57.270 57.109 0.161 1
1 280 . 19 1 1 X 26 26 ARG CB C 26 31.630 32.502 -0.872 1
1 283 . 19 1 1 X 27 27 ALA H H 27 8.030 7.990 0.040 1
1 284 . 19 1 1 X 27 27 ALA HA H 27 4.270 3.968 0.302 1
1 288 . 19 1 1 X 27 27 ALA CA C 27 53.880 53.029 0.851 1
1 289 . 19 1 1 X 27 27 ALA CB C 27 19.920 17.040 2.880 1
1 290 . 19 1 1 X 28 28 TYR H H 28 7.580 8.330 -0.750 1
1 291 . 19 1 1 X 28 28 TYR HA H 28 4.620 4.466 0.154 1
1 298 . 19 1 1 X 28 28 TYR CA C 28 58.240 59.507 -1.267 1
1 299 . 19 1 1 X 28 28 TYR CB C 28 39.910 37.811 2.099 1
1 13 . 20 1 1 X 2 2 LEU H H 2 8.470 8.611 -0.141 1
1 14 . 20 1 1 X 2 2 LEU HA H 2 4.500 4.711 -0.211 1
1 23 . 20 1 1 X 2 2 LEU CA C 2 56.340 55.374 0.966 1
1 24 . 20 1 1 X 2 2 LEU CB C 2 43.690 42.379 1.311 1
1 25 . 20 1 1 X 3 3 VAL H H 3 7.780 8.011 -0.231 1
1 26 . 20 1 1 X 3 3 VAL HA H 3 4.550 4.582 -0.032 1
1 34 . 20 1 1 X 3 3 VAL CA C 3 60.380 58.518 1.862 1
1 35 . 20 1 1 X 3 3 VAL CB C 3 33.980 35.351 -1.371 1
1 38 . 20 1 1 X 4 4 PRO HA H 4 4.370 4.067 0.303 1
1 45 . 20 1 1 X 4 4 PRO CA C 4 64.800 63.663 1.137 1
1 46 . 20 1 1 X 4 4 PRO CB C 4 32.660 31.125 1.535 1
1 49 . 20 1 1 X 5 5 GLY H H 5 8.150 8.714 -0.564 1
1 50 . 20 1 1 X 5 5 GLY HA2 H 5 4.030 3.887 0.143 1
1 51 . 20 1 1 X 5 5 GLY HA3 H 5 3.900 3.905 -0.005 1
1 52 . 20 1 1 X 5 5 GLY CA C 5 46.820 45.815 1.005 1
1 53 . 20 1 1 X 6 6 ALA H H 6 7.850 8.172 -0.322 1
1 54 . 20 1 1 X 6 6 ALA HA H 6 4.240 4.203 0.037 1
1 58 . 20 1 1 X 6 6 ALA CA C 6 54.770 54.373 0.397 1
1 59 . 20 1 1 X 6 6 ALA CB C 6 19.380 19.111 0.269 1
1 60 . 20 1 1 X 7 7 ALA H H 7 7.920 7.403 0.517 1
1 61 . 20 1 1 X 7 7 ALA HA H 7 4.140 4.121 0.019 1
1 65 . 20 1 1 X 7 7 ALA CA C 7 55.100 50.411 4.689 1
1 66 . 20 1 1 X 7 7 ALA CB C 7 18.850 18.743 0.107 1
1 67 . 20 1 1 X 8 8 TYR H H 8 7.580 8.065 -0.485 1
1 68 . 20 1 1 X 8 8 TYR HA H 8 4.370 4.751 -0.381 1
1 75 . 20 1 1 X 8 8 TYR CA C 8 60.430 59.922 0.508 1
1 76 . 20 1 1 X 8 8 TYR CB C 8 39.010 39.748 -0.738 1
1 81 . 20 1 1 X 9 9 ALA H H 9 7.730 8.389 -0.659 1
1 82 . 20 1 1 X 9 9 ALA HA H 9 4.210 4.116 0.094 1
1 86 . 20 1 1 X 9 9 ALA CA C 9 55.020 55.252 -0.232 1
1 87 . 20 1 1 X 9 9 ALA CB C 9 19.180 17.983 1.197 1
1 88 . 20 1 1 X 10 10 LEU H H 10 7.760 8.218 -0.458 1
1 89 . 20 1 1 X 10 10 LEU HA H 10 4.240 4.137 0.103 1
1 98 . 20 1 1 X 10 10 LEU CA C 10 57.200 58.075 -0.875 1
1 99 . 20 1 1 X 10 10 LEU CB C 10 43.090 42.036 1.054 1
1 100 . 20 1 1 X 11 11 TYR HA H 11 4.450 4.436 0.014 1
1 107 . 20 1 1 X 11 11 TYR CA C 11 60.160 60.647 -0.487 1
1 108 . 20 1 1 X 11 11 TYR CB C 11 39.420 36.888 2.532 1
1 113 . 20 1 1 X 12 12 GLY H H 12 7.910 8.199 -0.289 1
1 114 . 20 1 1 X 12 12 GLY HA2 H 12 3.900 3.759 0.141 1
1 115 . 20 1 1 X 12 12 GLY HA3 H 12 3.900 3.763 0.137 1
1 116 . 20 1 1 X 12 12 GLY CA C 12 46.720 46.788 -0.068 1
1 117 . 20 1 1 X 13 13 VAL H H 13 7.650 8.168 -0.518 1
1 118 . 20 1 1 X 13 13 VAL HA H 13 4.330 3.800 0.530 1
1 126 . 20 1 1 X 13 13 VAL CA C 13 62.930 65.748 -2.818 1
1 127 . 20 1 1 X 13 13 VAL CB C 13 33.510 31.537 1.973 1
1 130 . 20 1 1 X 14 14 TRP H H 14 7.780 8.444 -0.664 1
1 131 . 20 1 1 X 14 14 TRP HA H 14 4.800 4.458 0.342 1
1 140 . 20 1 1 X 14 14 TRP CB C 14 29.030 27.875 1.155 1
1 146 . 20 1 1 X 15 15 PRO HA H 15 4.190 4.000 0.190 1
1 153 . 20 1 1 X 15 15 PRO CA C 15 66.860 65.665 1.195 1
1 154 . 20 1 1 X 15 15 PRO CB C 15 31.920 30.640 1.280 1
1 157 . 20 1 1 X 16 16 LEU H H 16 7.110 7.231 -0.121 1
1 158 . 20 1 1 X 16 16 LEU HA H 16 4.180 3.935 0.245 1
1 167 . 20 1 1 X 16 16 LEU CA C 16 58.170 57.629 0.541 1
1 168 . 20 1 1 X 16 16 LEU CB C 16 42.760 41.817 0.943 1
1 169 . 20 1 1 X 17 17 LEU H H 17 7.700 8.417 -0.717 1
1 170 . 20 1 1 X 17 17 LEU HA H 17 4.030 3.964 0.066 1
1 179 . 20 1 1 X 17 17 LEU CA C 17 59.060 58.006 1.054 1
1 180 . 20 1 1 X 18 18 LEU H H 18 7.790 7.914 -0.124 1
1 181 . 20 1 1 X 18 18 LEU HA H 18 4.010 3.785 0.225 1
1 191 . 20 1 1 X 18 18 LEU CA C 18 58.910 57.783 1.127 1
1 192 . 20 1 1 X 18 18 LEU CB C 18 42.500 41.191 1.309 1
1 194 . 20 1 1 X 19 19 LEU H H 19 7.440 8.500 -1.060 1
1 195 . 20 1 1 X 19 19 LEU HA H 19 4.140 3.968 0.172 1
1 204 . 20 1 1 X 19 19 LEU CA C 19 58.860 57.742 1.118 1
1 205 . 20 1 1 X 19 19 LEU CB C 19 42.790 41.538 1.252 1
1 206 . 20 1 1 X 20 20 LEU H H 20 8.070 8.060 0.010 1
1 207 . 20 1 1 X 20 20 LEU HA H 20 4.120 4.070 0.050 1
1 216 . 20 1 1 X 20 20 LEU CA C 20 58.590 57.664 0.926 1
1 217 . 20 1 1 X 20 20 LEU CB C 20 42.780 41.376 1.404 1
1 218 . 20 1 1 X 21 21 LEU H H 21 8.100 8.443 -0.343 1
1 219 . 20 1 1 X 21 21 LEU HA H 21 4.260 3.953 0.307 1
1 228 . 20 1 1 X 21 21 LEU CA C 21 57.160 57.974 -0.814 1
1 229 . 20 1 1 X 21 21 LEU CB C 21 43.230 41.484 1.746 1
1 230 . 20 1 1 X 22 22 ALA H H 22 7.790 7.432 0.358 1
1 231 . 20 1 1 X 22 22 ALA HA H 22 4.360 4.447 -0.087 1
1 235 . 20 1 1 X 22 22 ALA CA C 22 53.810 51.041 2.769 1
1 236 . 20 1 1 X 22 22 ALA CB C 22 19.990 19.302 0.688 1
1 237 . 20 1 1 X 23 23 LEU H H 23 7.620 7.004 0.616 1
1 238 . 20 1 1 X 23 23 LEU HA H 23 4.610 4.742 -0.132 1
1 248 . 20 1 1 X 23 23 LEU CA C 23 54.620 53.036 1.584 1
1 249 . 20 1 1 X 23 23 LEU CB C 23 42.710 41.912 0.798 1
1 251 . 20 1 1 X 24 24 PRO HA H 24 4.710 4.775 -0.065 1
1 258 . 20 1 1 X 24 24 PRO CB C 24 31.470 32.519 -1.049 1
1 260 . 20 1 1 X 25 25 PRO HA H 25 4.360 4.617 -0.257 1
1 267 . 20 1 1 X 25 25 PRO CA C 25 64.800 62.479 2.321 1
1 268 . 20 1 1 X 25 25 PRO CB C 25 32.510 33.288 -0.778 1
1 270 . 20 1 1 X 26 26 ARG H H 26 7.830 8.792 -0.962 1
1 271 . 20 1 1 X 26 26 ARG HA H 26 4.260 4.231 0.029 1
1 279 . 20 1 1 X 26 26 ARG CA C 26 57.270 56.640 0.630 1
1 280 . 20 1 1 X 26 26 ARG CB C 26 31.630 30.469 1.161 1
1 283 . 20 1 1 X 27 27 ALA H H 27 8.030 7.986 0.044 1
1 284 . 20 1 1 X 27 27 ALA HA H 27 4.270 3.991 0.279 1
1 288 . 20 1 1 X 27 27 ALA CA C 27 53.880 52.951 0.929 1
1 289 . 20 1 1 X 27 27 ALA CB C 27 19.920 17.040 2.880 1
1 290 . 20 1 1 X 28 28 TYR H H 28 7.580 8.333 -0.753 1
1 291 . 20 1 1 X 28 28 TYR HA H 28 4.620 4.486 0.134 1
1 298 . 20 1 1 X 28 28 TYR CA C 28 58.240 59.304 -1.064 1
1 299 . 20 1 1 X 28 28 TYR CB C 28 39.910 38.093 1.817 1
1 13 . 21 1 1 X 2 2 LEU H H 2 8.470 8.326 0.144 1
1 14 . 21 1 1 X 2 2 LEU HA H 2 4.500 4.681 -0.181 1
1 23 . 21 1 1 X 2 2 LEU CA C 2 56.340 53.987 2.353 1
1 24 . 21 1 1 X 2 2 LEU CB C 2 43.690 44.377 -0.687 1
1 25 . 21 1 1 X 3 3 VAL H H 3 7.780 8.525 -0.745 1
1 26 . 21 1 1 X 3 3 VAL HA H 3 4.550 3.609 0.941 1
1 34 . 21 1 1 X 3 3 VAL CA C 3 60.380 62.811 -2.431 1
1 35 . 21 1 1 X 3 3 VAL CB C 3 33.980 30.363 3.617 1
1 38 . 21 1 1 X 4 4 PRO HA H 4 4.370 2.717 1.653 1
1 45 . 21 1 1 X 4 4 PRO CA C 4 64.800 63.196 1.604 1
1 46 . 21 1 1 X 4 4 PRO CB C 4 32.660 30.887 1.773 1
1 49 . 21 1 1 X 5 5 GLY H H 5 8.150 8.431 -0.281 1
1 50 . 21 1 1 X 5 5 GLY HA2 H 5 4.030 3.824 0.206 1
1 51 . 21 1 1 X 5 5 GLY HA3 H 5 3.900 3.850 0.050 1
1 52 . 21 1 1 X 5 5 GLY CA C 5 46.820 45.512 1.308 1
1 53 . 21 1 1 X 6 6 ALA H H 6 7.850 8.110 -0.260 1
1 54 . 21 1 1 X 6 6 ALA HA H 6 4.240 4.363 -0.123 1
1 58 . 21 1 1 X 6 6 ALA CA C 6 54.770 54.291 0.479 1
1 59 . 21 1 1 X 6 6 ALA CB C 6 19.380 19.611 -0.231 1
1 60 . 21 1 1 X 7 7 ALA H H 7 7.920 8.149 -0.229 1
1 61 . 21 1 1 X 7 7 ALA HA H 7 4.140 4.541 -0.401 1
1 65 . 21 1 1 X 7 7 ALA CA C 7 55.100 52.566 2.534 1
1 66 . 21 1 1 X 7 7 ALA CB C 7 18.850 18.617 0.233 1
1 67 . 21 1 1 X 8 8 TYR H H 8 7.580 8.082 -0.502 1
1 68 . 21 1 1 X 8 8 TYR HA H 8 4.370 4.606 -0.236 1
1 75 . 21 1 1 X 8 8 TYR CA C 8 60.430 60.048 0.382 1
1 76 . 21 1 1 X 8 8 TYR CB C 8 39.010 39.654 -0.644 1
1 81 . 21 1 1 X 9 9 ALA H H 9 7.730 8.579 -0.849 1
1 82 . 21 1 1 X 9 9 ALA HA H 9 4.210 4.138 0.072 1
1 86 . 21 1 1 X 9 9 ALA CA C 9 55.020 55.263 -0.243 1
1 87 . 21 1 1 X 9 9 ALA CB C 9 19.180 17.815 1.365 1
1 88 . 21 1 1 X 10 10 LEU H H 10 7.760 8.230 -0.470 1
1 89 . 21 1 1 X 10 10 LEU HA H 10 4.240 4.057 0.183 1
1 98 . 21 1 1 X 10 10 LEU CA C 10 57.200 58.108 -0.908 1
1 99 . 21 1 1 X 10 10 LEU CB C 10 43.090 41.882 1.208 1
1 100 . 21 1 1 X 11 11 TYR HA H 11 4.450 4.478 -0.028 1
1 107 . 21 1 1 X 11 11 TYR CA C 11 60.160 62.837 -2.677 1
1 108 . 21 1 1 X 11 11 TYR CB C 11 39.420 36.546 2.874 1
1 113 . 21 1 1 X 12 12 GLY H H 12 7.910 8.307 -0.397 1
1 114 . 21 1 1 X 12 12 GLY HA2 H 12 3.900 3.722 0.178 1
1 115 . 21 1 1 X 12 12 GLY HA3 H 12 3.900 3.729 0.171 1
1 116 . 21 1 1 X 12 12 GLY CA C 12 46.720 47.242 -0.522 1
1 117 . 21 1 1 X 13 13 VAL H H 13 7.650 7.797 -0.147 1
1 118 . 21 1 1 X 13 13 VAL HA H 13 4.330 4.100 0.230 1
1 126 . 21 1 1 X 13 13 VAL CA C 13 62.930 64.524 -1.594 1
1 127 . 21 1 1 X 13 13 VAL CB C 13 33.510 31.710 1.800 1
1 130 . 21 1 1 X 14 14 TRP H H 14 7.780 8.048 -0.268 1
1 131 . 21 1 1 X 14 14 TRP HA H 14 4.800 4.369 0.431 1
1 140 . 21 1 1 X 14 14 TRP CB C 14 29.030 28.055 0.975 1
1 146 . 21 1 1 X 15 15 PRO HA H 15 4.190 4.209 -0.019 1
1 153 . 21 1 1 X 15 15 PRO CA C 15 66.860 65.713 1.147 1
1 154 . 21 1 1 X 15 15 PRO CB C 15 31.920 30.728 1.192 1
1 157 . 21 1 1 X 16 16 LEU H H 16 7.110 7.824 -0.714 1
1 158 . 21 1 1 X 16 16 LEU HA H 16 4.180 3.996 0.184 1
1 167 . 21 1 1 X 16 16 LEU CA C 16 58.170 57.904 0.266 1
1 168 . 21 1 1 X 16 16 LEU CB C 16 42.760 41.856 0.904 1
1 169 . 21 1 1 X 17 17 LEU H H 17 7.700 8.240 -0.540 1
1 170 . 21 1 1 X 17 17 LEU HA H 17 4.030 4.021 0.009 1
1 179 . 21 1 1 X 17 17 LEU CA C 17 59.060 58.234 0.826 1
1 180 . 21 1 1 X 18 18 LEU H H 18 7.790 7.941 -0.151 1
1 181 . 21 1 1 X 18 18 LEU HA H 18 4.010 3.969 0.041 1
1 191 . 21 1 1 X 18 18 LEU CA C 18 58.910 58.090 0.820 1
1 192 . 21 1 1 X 18 18 LEU CB C 18 42.500 41.479 1.021 1
1 194 . 21 1 1 X 19 19 LEU H H 19 7.440 8.692 -1.252 1
1 195 . 21 1 1 X 19 19 LEU HA H 19 4.140 4.003 0.137 1
1 204 . 21 1 1 X 19 19 LEU CA C 19 58.860 57.677 1.183 1
1 205 . 21 1 1 X 19 19 LEU CB C 19 42.790 41.039 1.751 1
1 206 . 21 1 1 X 20 20 LEU H H 20 8.070 8.220 -0.150 1
1 207 . 21 1 1 X 20 20 LEU HA H 20 4.120 4.082 0.038 1
1 216 . 21 1 1 X 20 20 LEU CA C 20 58.590 57.794 0.796 1
1 217 . 21 1 1 X 20 20 LEU CB C 20 42.780 41.082 1.698 1
1 218 . 21 1 1 X 21 21 LEU H H 21 8.100 8.195 -0.095 1
1 219 . 21 1 1 X 21 21 LEU HA H 21 4.260 3.989 0.271 1
1 228 . 21 1 1 X 21 21 LEU CA C 21 57.160 57.962 -0.802 1
1 229 . 21 1 1 X 21 21 LEU CB C 21 43.230 41.543 1.687 1
1 230 . 21 1 1 X 22 22 ALA H H 22 7.790 7.228 0.562 1
1 231 . 21 1 1 X 22 22 ALA HA H 22 4.360 4.503 -0.143 1
1 235 . 21 1 1 X 22 22 ALA CA C 22 53.810 50.946 2.864 1
1 236 . 21 1 1 X 22 22 ALA CB C 22 19.990 19.546 0.444 1
1 237 . 21 1 1 X 23 23 LEU H H 23 7.620 7.086 0.534 1
1 238 . 21 1 1 X 23 23 LEU HA H 23 4.610 4.710 -0.100 1
1 248 . 21 1 1 X 23 23 LEU CA C 23 54.620 53.201 1.419 1
1 249 . 21 1 1 X 23 23 LEU CB C 23 42.710 42.018 0.692 1
1 251 . 21 1 1 X 24 24 PRO HA H 24 4.710 4.369 0.341 1
1 258 . 21 1 1 X 24 24 PRO CB C 24 31.470 31.606 -0.136 1
1 260 . 21 1 1 X 25 25 PRO HA H 25 4.360 4.469 -0.109 1
1 267 . 21 1 1 X 25 25 PRO CA C 25 64.800 62.400 2.400 1
1 268 . 21 1 1 X 25 25 PRO CB C 25 32.510 32.837 -0.327 1
1 270 . 21 1 1 X 26 26 ARG H H 26 7.830 8.771 -0.941 1
1 271 . 21 1 1 X 26 26 ARG HA H 26 4.260 3.905 0.355 1
1 279 . 21 1 1 X 26 26 ARG CA C 26 57.270 58.815 -1.545 1
1 280 . 21 1 1 X 26 26 ARG CB C 26 31.630 30.379 1.251 1
1 283 . 21 1 1 X 27 27 ALA H H 27 8.030 7.730 0.300 1
1 284 . 21 1 1 X 27 27 ALA HA H 27 4.270 3.984 0.286 1
1 288 . 21 1 1 X 27 27 ALA CA C 27 53.880 52.777 1.103 1
1 289 . 21 1 1 X 27 27 ALA CB C 27 19.920 17.062 2.858 1
1 290 . 21 1 1 X 28 28 TYR H H 28 7.580 7.963 -0.383 1
1 291 . 21 1 1 X 28 28 TYR HA H 28 4.620 4.425 0.195 1
1 298 . 21 1 1 X 28 28 TYR CA C 28 58.240 60.496 -2.256 1
1 299 . 21 1 1 X 28 28 TYR CB C 28 39.910 39.219 0.691 1
1 13 . 22 1 1 X 2 2 LEU H H 2 8.470 8.413 0.057 1
1 14 . 22 1 1 X 2 2 LEU HA H 2 4.500 5.209 -0.709 1
1 23 . 22 1 1 X 2 2 LEU CA C 2 56.340 53.386 2.954 1
1 24 . 22 1 1 X 2 2 LEU CB C 2 43.690 45.762 -2.072 1
1 25 . 22 1 1 X 3 3 VAL H H 3 7.780 8.836 -1.056 1
1 26 . 22 1 1 X 3 3 VAL HA H 3 4.550 4.946 -0.396 1
1 34 . 22 1 1 X 3 3 VAL CA C 3 60.380 57.998 2.382 1
1 35 . 22 1 1 X 3 3 VAL CB C 3 33.980 34.345 -0.365 1
1 38 . 22 1 1 X 4 4 PRO HA H 4 4.370 4.689 -0.319 1
1 45 . 22 1 1 X 4 4 PRO CA C 4 64.800 62.267 2.533 1
1 46 . 22 1 1 X 4 4 PRO CB C 4 32.660 33.266 -0.606 1
1 49 . 22 1 1 X 5 5 GLY H H 5 8.150 8.794 -0.644 1
1 50 . 22 1 1 X 5 5 GLY HA2 H 5 4.030 3.947 0.083 1
1 51 . 22 1 1 X 5 5 GLY HA3 H 5 3.900 4.111 -0.211 1
1 52 . 22 1 1 X 5 5 GLY CA C 5 46.820 46.880 -0.060 1
1 53 . 22 1 1 X 6 6 ALA H H 6 7.850 8.201 -0.351 1
1 54 . 22 1 1 X 6 6 ALA HA H 6 4.240 4.086 0.154 1
1 58 . 22 1 1 X 6 6 ALA CA C 6 54.770 54.764 0.006 1
1 59 . 22 1 1 X 6 6 ALA CB C 6 19.380 18.394 0.986 1
1 60 . 22 1 1 X 7 7 ALA H H 7 7.920 7.696 0.224 1
1 61 . 22 1 1 X 7 7 ALA HA H 7 4.140 4.181 -0.041 1
1 65 . 22 1 1 X 7 7 ALA CA C 7 55.100 55.273 -0.173 1
1 66 . 22 1 1 X 7 7 ALA CB C 7 18.850 18.346 0.504 1
1 67 . 22 1 1 X 8 8 TYR H H 8 7.580 7.787 -0.207 1
1 68 . 22 1 1 X 8 8 TYR HA H 8 4.370 4.503 -0.133 1
1 75 . 22 1 1 X 8 8 TYR CA C 8 60.430 60.992 -0.562 1
1 76 . 22 1 1 X 8 8 TYR CB C 8 39.010 37.613 1.397 1
1 81 . 22 1 1 X 9 9 ALA H H 9 7.730 7.576 0.154 1
1 82 . 22 1 1 X 9 9 ALA HA H 9 4.210 4.261 -0.051 1
1 86 . 22 1 1 X 9 9 ALA CA C 9 55.020 54.095 0.925 1
1 87 . 22 1 1 X 9 9 ALA CB C 9 19.180 18.389 0.791 1
1 88 . 22 1 1 X 10 10 LEU H H 10 7.760 7.780 -0.020 1
1 89 . 22 1 1 X 10 10 LEU HA H 10 4.240 4.422 -0.182 1
1 98 . 22 1 1 X 10 10 LEU CA C 10 57.200 56.936 0.264 1
1 99 . 22 1 1 X 10 10 LEU CB C 10 43.090 43.077 0.013 1
1 100 . 22 1 1 X 11 11 TYR HA H 11 4.450 4.440 0.010 1
1 107 . 22 1 1 X 11 11 TYR CA C 11 60.160 61.541 -1.381 1
1 108 . 22 1 1 X 11 11 TYR CB C 11 39.420 36.837 2.583 1
1 113 . 22 1 1 X 12 12 GLY H H 12 7.910 8.410 -0.500 1
1 114 . 22 1 1 X 12 12 GLY HA2 H 12 3.900 3.884 0.016 1
1 115 . 22 1 1 X 12 12 GLY HA3 H 12 3.900 3.886 0.014 1
1 116 . 22 1 1 X 12 12 GLY CA C 12 46.720 47.132 -0.412 1
1 117 . 22 1 1 X 13 13 VAL H H 13 7.650 7.894 -0.244 1
1 118 . 22 1 1 X 13 13 VAL HA H 13 4.330 4.278 0.052 1
1 126 . 22 1 1 X 13 13 VAL CA C 13 62.930 61.771 1.159 1
1 127 . 22 1 1 X 13 13 VAL CB C 13 33.510 31.882 1.628 1
1 130 . 22 1 1 X 14 14 TRP H H 14 7.780 7.554 0.226 1
1 131 . 22 1 1 X 14 14 TRP HA H 14 4.800 4.426 0.374 1
1 140 . 22 1 1 X 14 14 TRP CB C 14 29.030 28.232 0.798 1
1 146 . 22 1 1 X 15 15 PRO HA H 15 4.190 4.495 -0.305 1
1 153 . 22 1 1 X 15 15 PRO CA C 15 66.860 65.823 1.037 1
1 154 . 22 1 1 X 15 15 PRO CB C 15 31.920 30.989 0.931 1
1 157 . 22 1 1 X 16 16 LEU H H 16 7.110 7.729 -0.619 1
1 158 . 22 1 1 X 16 16 LEU HA H 16 4.180 3.993 0.187 1
1 167 . 22 1 1 X 16 16 LEU CA C 16 58.170 57.688 0.482 1
1 168 . 22 1 1 X 16 16 LEU CB C 16 42.760 41.850 0.910 1
1 169 . 22 1 1 X 17 17 LEU H H 17 7.700 7.871 -0.171 1
1 170 . 22 1 1 X 17 17 LEU HA H 17 4.030 3.837 0.193 1
1 179 . 22 1 1 X 17 17 LEU CA C 17 59.060 58.407 0.653 1
1 180 . 22 1 1 X 18 18 LEU H H 18 7.790 7.920 -0.130 1
1 181 . 22 1 1 X 18 18 LEU HA H 18 4.010 3.924 0.086 1
1 191 . 22 1 1 X 18 18 LEU CA C 18 58.910 58.259 0.651 1
1 192 . 22 1 1 X 18 18 LEU CB C 18 42.500 41.581 0.919 1
1 194 . 22 1 1 X 19 19 LEU H H 19 7.440 8.536 -1.096 1
1 195 . 22 1 1 X 19 19 LEU HA H 19 4.140 4.052 0.088 1
1 204 . 22 1 1 X 19 19 LEU CA C 19 58.860 57.651 1.209 1
1 205 . 22 1 1 X 19 19 LEU CB C 19 42.790 41.477 1.313 1
1 206 . 22 1 1 X 20 20 LEU H H 20 8.070 8.372 -0.302 1
1 207 . 22 1 1 X 20 20 LEU HA H 20 4.120 4.034 0.086 1
1 216 . 22 1 1 X 20 20 LEU CA C 20 58.590 57.792 0.798 1
1 217 . 22 1 1 X 20 20 LEU CB C 20 42.780 41.294 1.486 1
1 218 . 22 1 1 X 21 21 LEU H H 21 8.100 7.979 0.121 1
1 219 . 22 1 1 X 21 21 LEU HA H 21 4.260 3.961 0.299 1
1 228 . 22 1 1 X 21 21 LEU CA C 21 57.160 57.986 -0.826 1
1 229 . 22 1 1 X 21 21 LEU CB C 21 43.230 41.458 1.772 1
1 230 . 22 1 1 X 22 22 ALA H H 22 7.790 7.207 0.583 1
1 231 . 22 1 1 X 22 22 ALA HA H 22 4.360 4.459 -0.099 1
1 235 . 22 1 1 X 22 22 ALA CA C 22 53.810 50.958 2.852 1
1 236 . 22 1 1 X 22 22 ALA CB C 22 19.990 19.291 0.699 1
1 237 . 22 1 1 X 23 23 LEU H H 23 7.620 6.888 0.732 1
1 238 . 22 1 1 X 23 23 LEU HA H 23 4.610 4.549 0.061 1
1 248 . 22 1 1 X 23 23 LEU CA C 23 54.620 53.048 1.572 1
1 249 . 22 1 1 X 23 23 LEU CB C 23 42.710 41.910 0.800 1
1 251 . 22 1 1 X 24 24 PRO HA H 24 4.710 4.694 0.016 1
1 258 . 22 1 1 X 24 24 PRO CB C 24 31.470 32.376 -0.906 1
1 260 . 22 1 1 X 25 25 PRO HA H 25 4.360 4.648 -0.288 1
1 267 . 22 1 1 X 25 25 PRO CA C 25 64.800 62.525 2.275 1
1 268 . 22 1 1 X 25 25 PRO CB C 25 32.510 32.575 -0.065 1
1 270 . 22 1 1 X 26 26 ARG H H 26 7.830 8.892 -1.062 1
1 271 . 22 1 1 X 26 26 ARG HA H 26 4.260 4.521 -0.261 1
1 279 . 22 1 1 X 26 26 ARG CA C 26 57.270 55.710 1.560 1
1 280 . 22 1 1 X 26 26 ARG CB C 26 31.630 30.818 0.812 1
1 283 . 22 1 1 X 27 27 ALA H H 27 8.030 7.907 0.123 1
1 284 . 22 1 1 X 27 27 ALA HA H 27 4.270 4.631 -0.361 1
1 288 . 22 1 1 X 27 27 ALA CA C 27 53.880 51.288 2.592 1
1 289 . 22 1 1 X 27 27 ALA CB C 27 19.920 19.248 0.672 1
1 290 . 22 1 1 X 28 28 TYR H H 28 7.580 8.442 -0.862 1
1 291 . 22 1 1 X 28 28 TYR HA H 28 4.620 4.697 -0.077 1
1 298 . 22 1 1 X 28 28 TYR CA C 28 58.240 59.395 -1.155 1
1 299 . 22 1 1 X 28 28 TYR CB C 28 39.910 40.179 -0.269 1
1 13 . 23 1 1 X 2 2 LEU H H 2 8.470 8.801 -0.331 1
1 14 . 23 1 1 X 2 2 LEU HA H 2 4.500 5.153 -0.653 1
1 23 . 23 1 1 X 2 2 LEU CA C 2 56.340 53.603 2.737 1
1 24 . 23 1 1 X 2 2 LEU CB C 2 43.690 46.132 -2.442 1
1 25 . 23 1 1 X 3 3 VAL H H 3 7.780 8.865 -1.085 1
1 26 . 23 1 1 X 3 3 VAL HA H 3 4.550 4.792 -0.242 1
1 34 . 23 1 1 X 3 3 VAL CA C 3 60.380 57.980 2.400 1
1 35 . 23 1 1 X 3 3 VAL CB C 3 33.980 35.103 -1.123 1
1 38 . 23 1 1 X 4 4 PRO HA H 4 4.370 4.454 -0.084 1
1 45 . 23 1 1 X 4 4 PRO CA C 4 64.800 63.274 1.526 1
1 46 . 23 1 1 X 4 4 PRO CB C 4 32.660 30.067 2.593 1
1 49 . 23 1 1 X 5 5 GLY H H 5 8.150 8.644 -0.494 1
1 50 . 23 1 1 X 5 5 GLY HA2 H 5 4.030 3.918 0.112 1
1 51 . 23 1 1 X 5 5 GLY HA3 H 5 3.900 3.942 -0.042 1
1 52 . 23 1 1 X 5 5 GLY CA C 5 46.820 46.346 0.474 1
1 53 . 23 1 1 X 6 6 ALA H H 6 7.850 8.213 -0.363 1
1 54 . 23 1 1 X 6 6 ALA HA H 6 4.240 4.099 0.141 1
1 58 . 23 1 1 X 6 6 ALA CA C 6 54.770 53.317 1.453 1
1 59 . 23 1 1 X 6 6 ALA CB C 6 19.380 17.354 2.026 1
1 60 . 23 1 1 X 7 7 ALA H H 7 7.920 7.996 -0.076 1
1 61 . 23 1 1 X 7 7 ALA HA H 7 4.140 4.162 -0.022 1
1 65 . 23 1 1 X 7 7 ALA CA C 7 55.100 53.472 1.628 1
1 66 . 23 1 1 X 7 7 ALA CB C 7 18.850 17.486 1.364 1
1 67 . 23 1 1 X 8 8 TYR H H 8 7.580 8.308 -0.728 1
1 68 . 23 1 1 X 8 8 TYR HA H 8 4.370 4.655 -0.285 1
1 75 . 23 1 1 X 8 8 TYR CA C 8 60.430 60.028 0.402 1
1 76 . 23 1 1 X 8 8 TYR CB C 8 39.010 39.768 -0.758 1
1 81 . 23 1 1 X 9 9 ALA H H 9 7.730 8.567 -0.837 1
1 82 . 23 1 1 X 9 9 ALA HA H 9 4.210 4.163 0.047 1
1 86 . 23 1 1 X 9 9 ALA CA C 9 55.020 55.278 -0.258 1
1 87 . 23 1 1 X 9 9 ALA CB C 9 19.180 17.958 1.222 1
1 88 . 23 1 1 X 10 10 LEU H H 10 7.760 8.307 -0.547 1
1 89 . 23 1 1 X 10 10 LEU HA H 10 4.240 4.102 0.138 1
1 98 . 23 1 1 X 10 10 LEU CA C 10 57.200 58.041 -0.841 1
1 99 . 23 1 1 X 10 10 LEU CB C 10 43.090 41.910 1.180 1
1 100 . 23 1 1 X 11 11 TYR HA H 11 4.450 4.579 -0.129 1
1 107 . 23 1 1 X 11 11 TYR CA C 11 60.160 60.567 -0.407 1
1 108 . 23 1 1 X 11 11 TYR CB C 11 39.420 37.197 2.223 1
1 113 . 23 1 1 X 12 12 GLY H H 12 7.910 8.016 -0.106 1
1 114 . 23 1 1 X 12 12 GLY HA2 H 12 3.900 3.847 0.053 1
1 115 . 23 1 1 X 12 12 GLY HA3 H 12 3.900 3.848 0.052 1
1 116 . 23 1 1 X 12 12 GLY CA C 12 46.720 46.915 -0.195 1
1 117 . 23 1 1 X 13 13 VAL H H 13 7.650 7.625 0.025 1
1 118 . 23 1 1 X 13 13 VAL HA H 13 4.330 4.105 0.225 1
1 126 . 23 1 1 X 13 13 VAL CA C 13 62.930 64.593 -1.663 1
1 127 . 23 1 1 X 13 13 VAL CB C 13 33.510 32.275 1.235 1
1 130 . 23 1 1 X 14 14 TRP H H 14 7.780 8.134 -0.354 1
1 131 . 23 1 1 X 14 14 TRP HA H 14 4.800 4.400 0.400 1
1 140 . 23 1 1 X 14 14 TRP CB C 14 29.030 27.726 1.304 1
1 146 . 23 1 1 X 15 15 PRO HA H 15 4.190 4.034 0.156 1
1 153 . 23 1 1 X 15 15 PRO CA C 15 66.860 65.516 1.344 1
1 154 . 23 1 1 X 15 15 PRO CB C 15 31.920 30.860 1.060 1
1 157 . 23 1 1 X 16 16 LEU H H 16 7.110 7.787 -0.677 1
1 158 . 23 1 1 X 16 16 LEU HA H 16 4.180 4.018 0.162 1
1 167 . 23 1 1 X 16 16 LEU CA C 16 58.170 57.548 0.622 1
1 168 . 23 1 1 X 16 16 LEU CB C 16 42.760 41.974 0.786 1
1 169 . 23 1 1 X 17 17 LEU H H 17 7.700 7.824 -0.124 1
1 170 . 23 1 1 X 17 17 LEU HA H 17 4.030 3.965 0.065 1
1 179 . 23 1 1 X 17 17 LEU CA C 17 59.060 57.874 1.186 1
1 180 . 23 1 1 X 18 18 LEU H H 18 7.790 7.727 0.063 1
1 181 . 23 1 1 X 18 18 LEU HA H 18 4.010 3.751 0.259 1
1 191 . 23 1 1 X 18 18 LEU CA C 18 58.910 57.893 1.017 1
1 192 . 23 1 1 X 18 18 LEU CB C 18 42.500 41.105 1.395 1
1 194 . 23 1 1 X 19 19 LEU H H 19 7.440 8.215 -0.775 1
1 195 . 23 1 1 X 19 19 LEU HA H 19 4.140 3.986 0.154 1
1 204 . 23 1 1 X 19 19 LEU CA C 19 58.860 57.883 0.977 1
1 205 . 23 1 1 X 19 19 LEU CB C 19 42.790 41.467 1.323 1
1 206 . 23 1 1 X 20 20 LEU H H 20 8.070 8.536 -0.466 1
1 207 . 23 1 1 X 20 20 LEU HA H 20 4.120 3.970 0.150 1
1 216 . 23 1 1 X 20 20 LEU CA C 20 58.590 58.023 0.567 1
1 217 . 23 1 1 X 20 20 LEU CB C 20 42.780 41.314 1.466 1
1 218 . 23 1 1 X 21 21 LEU H H 21 8.100 8.291 -0.191 1
1 219 . 23 1 1 X 21 21 LEU HA H 21 4.260 3.977 0.283 1
1 228 . 23 1 1 X 21 21 LEU CA C 21 57.160 57.516 -0.356 1
1 229 . 23 1 1 X 21 21 LEU CB C 21 43.230 41.196 2.034 1
1 230 . 23 1 1 X 22 22 ALA H H 22 7.790 7.484 0.306 1
1 231 . 23 1 1 X 22 22 ALA HA H 22 4.360 4.385 -0.025 1
1 235 . 23 1 1 X 22 22 ALA CA C 22 53.810 51.511 2.299 1
1 236 . 23 1 1 X 22 22 ALA CB C 22 19.990 19.321 0.669 1
1 237 . 23 1 1 X 23 23 LEU H H 23 7.620 7.417 0.203 1
1 238 . 23 1 1 X 23 23 LEU HA H 23 4.610 4.770 -0.160 1
1 248 . 23 1 1 X 23 23 LEU CA C 23 54.620 51.873 2.747 1
1 249 . 23 1 1 X 23 23 LEU CB C 23 42.710 42.870 -0.160 1
1 251 . 23 1 1 X 24 24 PRO HA H 24 4.710 4.645 0.065 1
1 258 . 23 1 1 X 24 24 PRO CB C 24 31.470 31.882 -0.412 1
1 260 . 23 1 1 X 25 25 PRO HA H 25 4.360 4.752 -0.392 1
1 267 . 23 1 1 X 25 25 PRO CA C 25 64.800 62.851 1.949 1
1 268 . 23 1 1 X 25 25 PRO CB C 25 32.510 33.410 -0.900 1
1 270 . 23 1 1 X 26 26 ARG H H 26 7.830 8.673 -0.843 1
1 271 . 23 1 1 X 26 26 ARG HA H 26 4.260 4.574 -0.314 1
1 279 . 23 1 1 X 26 26 ARG CA C 26 57.270 56.458 0.812 1
1 280 . 23 1 1 X 26 26 ARG CB C 26 31.630 33.018 -1.388 1
1 283 . 23 1 1 X 27 27 ALA H H 27 8.030 8.112 -0.082 1
1 284 . 23 1 1 X 27 27 ALA HA H 27 4.270 4.057 0.213 1
1 288 . 23 1 1 X 27 27 ALA CA C 27 53.880 53.499 0.381 1
1 289 . 23 1 1 X 27 27 ALA CB C 27 19.920 17.846 2.074 1
1 290 . 23 1 1 X 28 28 TYR H H 28 7.580 8.050 -0.470 1
1 291 . 23 1 1 X 28 28 TYR HA H 28 4.620 4.713 -0.093 1
1 298 . 23 1 1 X 28 28 TYR CA C 28 58.240 59.092 -0.852 1
1 299 . 23 1 1 X 28 28 TYR CB C 28 39.910 40.709 -0.799 1
1 13 . 24 1 1 X 2 2 LEU H H 2 8.470 8.430 0.040 1
1 14 . 24 1 1 X 2 2 LEU HA H 2 4.500 4.473 0.027 1
1 23 . 24 1 1 X 2 2 LEU CA C 2 56.340 54.539 1.801 1
1 24 . 24 1 1 X 2 2 LEU CB C 2 43.690 40.991 2.699 1
1 25 . 24 1 1 X 3 3 VAL H H 3 7.780 8.015 -0.235 1
1 26 . 24 1 1 X 3 3 VAL HA H 3 4.550 4.602 -0.052 1
1 34 . 24 1 1 X 3 3 VAL CA C 3 60.380 60.538 -0.158 1
1 35 . 24 1 1 X 3 3 VAL CB C 3 33.980 31.968 2.012 1
1 38 . 24 1 1 X 4 4 PRO HA H 4 4.370 4.571 -0.201 1
1 45 . 24 1 1 X 4 4 PRO CA C 4 64.800 63.357 1.443 1
1 46 . 24 1 1 X 4 4 PRO CB C 4 32.660 31.138 1.522 1
1 49 . 24 1 1 X 5 5 GLY H H 5 8.150 8.136 0.014 1
1 50 . 24 1 1 X 5 5 GLY HA2 H 5 4.030 4.029 0.001 1
1 51 . 24 1 1 X 5 5 GLY HA3 H 5 3.900 4.088 -0.188 1
1 52 . 24 1 1 X 5 5 GLY CA C 5 46.820 45.325 1.495 1
1 53 . 24 1 1 X 6 6 ALA H H 6 7.850 8.242 -0.392 1
1 54 . 24 1 1 X 6 6 ALA HA H 6 4.240 4.023 0.217 1
1 58 . 24 1 1 X 6 6 ALA CA C 6 54.770 55.166 -0.396 1
1 59 . 24 1 1 X 6 6 ALA CB C 6 19.380 18.556 0.824 1
1 60 . 24 1 1 X 7 7 ALA H H 7 7.920 7.983 -0.063 1
1 61 . 24 1 1 X 7 7 ALA HA H 7 4.140 4.630 -0.490 1
1 65 . 24 1 1 X 7 7 ALA CA C 7 55.100 51.928 3.172 1
1 66 . 24 1 1 X 7 7 ALA CB C 7 18.850 18.860 -0.010 1
1 67 . 24 1 1 X 8 8 TYR H H 8 7.580 8.217 -0.637 1
1 68 . 24 1 1 X 8 8 TYR HA H 8 4.370 4.513 -0.143 1
1 75 . 24 1 1 X 8 8 TYR CA C 8 60.430 61.080 -0.650 1
1 76 . 24 1 1 X 8 8 TYR CB C 8 39.010 39.407 -0.397 1
1 81 . 24 1 1 X 9 9 ALA H H 9 7.730 8.351 -0.621 1
1 82 . 24 1 1 X 9 9 ALA HA H 9 4.210 4.188 0.022 1
1 86 . 24 1 1 X 9 9 ALA CA C 9 55.020 55.335 -0.315 1
1 87 . 24 1 1 X 9 9 ALA CB C 9 19.180 17.994 1.186 1
1 88 . 24 1 1 X 10 10 LEU H H 10 7.760 8.298 -0.538 1
1 89 . 24 1 1 X 10 10 LEU HA H 10 4.240 4.072 0.168 1
1 98 . 24 1 1 X 10 10 LEU CA C 10 57.200 57.814 -0.614 1
1 99 . 24 1 1 X 10 10 LEU CB C 10 43.090 42.003 1.087 1
1 100 . 24 1 1 X 11 11 TYR HA H 11 4.450 4.365 0.085 1
1 107 . 24 1 1 X 11 11 TYR CA C 11 60.160 60.891 -0.731 1
1 108 . 24 1 1 X 11 11 TYR CB C 11 39.420 37.579 1.841 1
1 113 . 24 1 1 X 12 12 GLY H H 12 7.910 8.237 -0.327 1
1 114 . 24 1 1 X 12 12 GLY HA2 H 12 3.900 3.912 -0.012 1
1 115 . 24 1 1 X 12 12 GLY HA3 H 12 3.900 3.920 -0.020 1
1 116 . 24 1 1 X 12 12 GLY CA C 12 46.720 46.970 -0.250 1
1 117 . 24 1 1 X 13 13 VAL H H 13 7.650 7.955 -0.305 1
1 118 . 24 1 1 X 13 13 VAL HA H 13 4.330 3.987 0.343 1
1 126 . 24 1 1 X 13 13 VAL CA C 13 62.930 65.638 -2.708 1
1 127 . 24 1 1 X 13 13 VAL CB C 13 33.510 31.244 2.266 1
1 130 . 24 1 1 X 14 14 TRP H H 14 7.780 8.182 -0.402 1
1 131 . 24 1 1 X 14 14 TRP HA H 14 4.800 4.451 0.349 1
1 140 . 24 1 1 X 14 14 TRP CB C 14 29.030 27.763 1.267 1
1 146 . 24 1 1 X 15 15 PRO HA H 15 4.190 4.107 0.083 1
1 153 . 24 1 1 X 15 15 PRO CA C 15 66.860 65.493 1.367 1
1 154 . 24 1 1 X 15 15 PRO CB C 15 31.920 30.925 0.995 1
1 157 . 24 1 1 X 16 16 LEU H H 16 7.110 7.527 -0.417 1
1 158 . 24 1 1 X 16 16 LEU HA H 16 4.180 3.959 0.221 1
1 167 . 24 1 1 X 16 16 LEU CA C 16 58.170 57.576 0.594 1
1 168 . 24 1 1 X 16 16 LEU CB C 16 42.760 41.681 1.079 1
1 169 . 24 1 1 X 17 17 LEU H H 17 7.700 8.329 -0.629 1
1 170 . 24 1 1 X 17 17 LEU HA H 17 4.030 3.947 0.083 1
1 179 . 24 1 1 X 17 17 LEU CA C 17 59.060 57.832 1.228 1
1 180 . 24 1 1 X 18 18 LEU H H 18 7.790 7.760 0.030 1
1 181 . 24 1 1 X 18 18 LEU HA H 18 4.010 3.804 0.206 1
1 191 . 24 1 1 X 18 18 LEU CA C 18 58.910 57.600 1.310 1
1 192 . 24 1 1 X 18 18 LEU CB C 18 42.500 41.242 1.258 1
1 194 . 24 1 1 X 19 19 LEU H H 19 7.440 8.079 -0.639 1
1 195 . 24 1 1 X 19 19 LEU HA H 19 4.140 3.910 0.230 1
1 204 . 24 1 1 X 19 19 LEU CA C 19 58.860 57.927 0.933 1
1 205 . 24 1 1 X 19 19 LEU CB C 19 42.790 41.494 1.296 1
1 206 . 24 1 1 X 20 20 LEU H H 20 8.070 8.353 -0.283 1
1 207 . 24 1 1 X 20 20 LEU HA H 20 4.120 3.988 0.132 1
1 216 . 24 1 1 X 20 20 LEU CA C 20 58.590 57.966 0.624 1
1 217 . 24 1 1 X 20 20 LEU CB C 20 42.780 41.608 1.172 1
1 218 . 24 1 1 X 21 21 LEU H H 21 8.100 8.331 -0.231 1
1 219 . 24 1 1 X 21 21 LEU HA H 21 4.260 3.954 0.306 1
1 228 . 24 1 1 X 21 21 LEU CA C 21 57.160 57.760 -0.600 1
1 229 . 24 1 1 X 21 21 LEU CB C 21 43.230 41.374 1.856 1
1 230 . 24 1 1 X 22 22 ALA H H 22 7.790 7.225 0.565 1
1 231 . 24 1 1 X 22 22 ALA HA H 22 4.360 4.366 -0.006 1
1 235 . 24 1 1 X 22 22 ALA CA C 22 53.810 51.702 2.108 1
1 236 . 24 1 1 X 22 22 ALA CB C 22 19.990 18.930 1.060 1
1 237 . 24 1 1 X 23 23 LEU H H 23 7.620 7.234 0.386 1
1 238 . 24 1 1 X 23 23 LEU HA H 23 4.610 4.736 -0.126 1
1 248 . 24 1 1 X 23 23 LEU CA C 23 54.620 51.873 2.747 1
1 249 . 24 1 1 X 23 23 LEU CB C 23 42.710 44.125 -1.415 1
1 251 . 24 1 1 X 24 24 PRO HA H 24 4.710 4.697 0.013 1
1 258 . 24 1 1 X 24 24 PRO CB C 24 31.470 31.889 -0.419 1
1 260 . 24 1 1 X 25 25 PRO HA H 25 4.360 4.606 -0.246 1
1 267 . 24 1 1 X 25 25 PRO CA C 25 64.800 62.385 2.415 1
1 268 . 24 1 1 X 25 25 PRO CB C 25 32.510 33.432 -0.922 1
1 270 . 24 1 1 X 26 26 ARG H H 26 7.830 8.849 -1.019 1
1 271 . 24 1 1 X 26 26 ARG HA H 26 4.260 4.205 0.055 1
1 279 . 24 1 1 X 26 26 ARG CA C 26 57.270 59.309 -2.039 1
1 280 . 24 1 1 X 26 26 ARG CB C 26 31.630 30.216 1.414 1
1 283 . 24 1 1 X 27 27 ALA H H 27 8.030 7.601 0.429 1
1 284 . 24 1 1 X 27 27 ALA HA H 27 4.270 4.618 -0.348 1
1 288 . 24 1 1 X 27 27 ALA CA C 27 53.880 50.747 3.133 1
1 289 . 24 1 1 X 27 27 ALA CB C 27 19.920 18.797 1.123 1
1 290 . 24 1 1 X 28 28 TYR H H 28 7.580 7.996 -0.416 1
1 291 . 24 1 1 X 28 28 TYR HA H 28 4.620 4.448 0.172 1
1 298 . 24 1 1 X 28 28 TYR CA C 28 58.240 58.975 -0.735 1
1 299 . 24 1 1 X 28 28 TYR CB C 28 39.910 37.716 2.194 1
1 13 . 25 1 1 X 2 2 LEU H H 2 8.470 7.583 0.887 1
1 14 . 25 1 1 X 2 2 LEU HA H 2 4.500 4.938 -0.438 1
1 23 . 25 1 1 X 2 2 LEU CA C 2 56.340 53.174 3.166 1
1 24 . 25 1 1 X 2 2 LEU CB C 2 43.690 45.717 -2.027 1
1 25 . 25 1 1 X 3 3 VAL H H 3 7.780 8.503 -0.723 1
1 26 . 25 1 1 X 3 3 VAL HA H 3 4.550 4.566 -0.016 1
1 34 . 25 1 1 X 3 3 VAL CA C 3 60.380 58.740 1.640 1
1 35 . 25 1 1 X 3 3 VAL CB C 3 33.980 35.031 -1.051 1
1 38 . 25 1 1 X 4 4 PRO HA H 4 4.370 2.581 1.789 1
1 45 . 25 1 1 X 4 4 PRO CA C 4 64.800 63.113 1.687 1
1 46 . 25 1 1 X 4 4 PRO CB C 4 32.660 30.933 1.727 1
1 49 . 25 1 1 X 5 5 GLY H H 5 8.150 8.356 -0.206 1
1 50 . 25 1 1 X 5 5 GLY HA2 H 5 4.030 3.850 0.180 1
1 51 . 25 1 1 X 5 5 GLY HA3 H 5 3.900 3.896 0.004 1
1 52 . 25 1 1 X 5 5 GLY CA C 5 46.820 45.680 1.140 1
1 53 . 25 1 1 X 6 6 ALA H H 6 7.850 8.149 -0.299 1
1 54 . 25 1 1 X 6 6 ALA HA H 6 4.240 4.234 0.006 1
1 58 . 25 1 1 X 6 6 ALA CA C 6 54.770 54.364 0.406 1
1 59 . 25 1 1 X 6 6 ALA CB C 6 19.380 19.011 0.369 1
1 60 . 25 1 1 X 7 7 ALA H H 7 7.920 7.870 0.050 1
1 61 . 25 1 1 X 7 7 ALA HA H 7 4.140 4.966 -0.826 1
1 65 . 25 1 1 X 7 7 ALA CA C 7 55.100 51.402 3.698 1
1 66 . 25 1 1 X 7 7 ALA CB C 7 18.850 19.511 -0.661 1
1 67 . 25 1 1 X 8 8 TYR H H 8 7.580 8.200 -0.620 1
1 68 . 25 1 1 X 8 8 TYR HA H 8 4.370 4.630 -0.260 1
1 75 . 25 1 1 X 8 8 TYR CA C 8 60.430 59.661 0.769 1
1 76 . 25 1 1 X 8 8 TYR CB C 8 39.010 39.462 -0.452 1
1 81 . 25 1 1 X 9 9 ALA H H 9 7.730 8.610 -0.880 1
1 82 . 25 1 1 X 9 9 ALA HA H 9 4.210 4.131 0.079 1
1 86 . 25 1 1 X 9 9 ALA CA C 9 55.020 55.243 -0.223 1
1 87 . 25 1 1 X 9 9 ALA CB C 9 19.180 18.156 1.024 1
1 88 . 25 1 1 X 10 10 LEU H H 10 7.760 8.312 -0.552 1
1 89 . 25 1 1 X 10 10 LEU HA H 10 4.240 4.068 0.172 1
1 98 . 25 1 1 X 10 10 LEU CA C 10 57.200 57.711 -0.511 1
1 99 . 25 1 1 X 10 10 LEU CB C 10 43.090 41.806 1.284 1
1 100 . 25 1 1 X 11 11 TYR HA H 11 4.450 4.636 -0.186 1
1 107 . 25 1 1 X 11 11 TYR CA C 11 60.160 58.552 1.608 1
1 108 . 25 1 1 X 11 11 TYR CB C 11 39.420 38.319 1.101 1
1 113 . 25 1 1 X 12 12 GLY H H 12 7.910 7.850 0.060 1
1 114 . 25 1 1 X 12 12 GLY HA2 H 12 3.900 4.189 -0.289 1
1 115 . 25 1 1 X 12 12 GLY HA3 H 12 3.900 4.199 -0.299 1
1 116 . 25 1 1 X 12 12 GLY CA C 12 46.720 45.720 1.000 1
1 117 . 25 1 1 X 13 13 VAL H H 13 7.650 7.751 -0.101 1
1 118 . 25 1 1 X 13 13 VAL HA H 13 4.330 4.535 -0.205 1
1 126 . 25 1 1 X 13 13 VAL CA C 13 62.930 61.213 1.717 1
1 127 . 25 1 1 X 13 13 VAL CB C 13 33.510 33.453 0.057 1
1 130 . 25 1 1 X 14 14 TRP H H 14 7.780 8.077 -0.297 1
1 131 . 25 1 1 X 14 14 TRP HA H 14 4.800 4.424 0.376 1
1 140 . 25 1 1 X 14 14 TRP CB C 14 29.030 28.086 0.944 1
1 146 . 25 1 1 X 15 15 PRO HA H 15 4.190 4.024 0.166 1
1 153 . 25 1 1 X 15 15 PRO CA C 15 66.860 65.421 1.439 1
1 154 . 25 1 1 X 15 15 PRO CB C 15 31.920 30.900 1.020 1
1 157 . 25 1 1 X 16 16 LEU H H 16 7.110 7.771 -0.661 1
1 158 . 25 1 1 X 16 16 LEU HA H 16 4.180 4.025 0.155 1
1 167 . 25 1 1 X 16 16 LEU CA C 16 58.170 57.674 0.496 1
1 168 . 25 1 1 X 16 16 LEU CB C 16 42.760 41.971 0.789 1
1 169 . 25 1 1 X 17 17 LEU H H 17 7.700 8.015 -0.315 1
1 170 . 25 1 1 X 17 17 LEU HA H 17 4.030 4.020 0.010 1
1 179 . 25 1 1 X 17 17 LEU CA C 17 59.060 57.833 1.227 1
1 180 . 25 1 1 X 18 18 LEU H H 18 7.790 7.519 0.271 1
1 181 . 25 1 1 X 18 18 LEU HA H 18 4.010 3.895 0.115 1
1 191 . 25 1 1 X 18 18 LEU CA C 18 58.910 57.777 1.133 1
1 192 . 25 1 1 X 18 18 LEU CB C 18 42.500 41.279 1.221 1
1 194 . 25 1 1 X 19 19 LEU H H 19 7.440 8.467 -1.027 1
1 195 . 25 1 1 X 19 19 LEU HA H 19 4.140 3.944 0.196 1
1 204 . 25 1 1 X 19 19 LEU CA C 19 58.860 57.934 0.926 1
1 205 . 25 1 1 X 19 19 LEU CB C 19 42.790 41.565 1.225 1
1 206 . 25 1 1 X 20 20 LEU H H 20 8.070 8.206 -0.136 1
1 207 . 25 1 1 X 20 20 LEU HA H 20 4.120 4.074 0.046 1
1 216 . 25 1 1 X 20 20 LEU CA C 20 58.590 57.809 0.781 1
1 217 . 25 1 1 X 20 20 LEU CB C 20 42.780 41.580 1.200 1
1 218 . 25 1 1 X 21 21 LEU H H 21 8.100 8.562 -0.462 1
1 219 . 25 1 1 X 21 21 LEU HA H 21 4.260 3.988 0.272 1
1 228 . 25 1 1 X 21 21 LEU CA C 21 57.160 57.826 -0.666 1
1 229 . 25 1 1 X 21 21 LEU CB C 21 43.230 41.443 1.787 1
1 230 . 25 1 1 X 22 22 ALA H H 22 7.790 7.401 0.389 1
1 231 . 25 1 1 X 22 22 ALA HA H 22 4.360 4.415 -0.055 1
1 235 . 25 1 1 X 22 22 ALA CA C 22 53.810 51.803 2.007 1
1 236 . 25 1 1 X 22 22 ALA CB C 22 19.990 18.916 1.074 1
1 237 . 25 1 1 X 23 23 LEU H H 23 7.620 7.133 0.487 1
1 238 . 25 1 1 X 23 23 LEU HA H 23 4.610 4.980 -0.370 1
1 248 . 25 1 1 X 23 23 LEU CA C 23 54.620 51.519 3.101 1
1 249 . 25 1 1 X 23 23 LEU CB C 23 42.710 45.186 -2.476 1
1 251 . 25 1 1 X 24 24 PRO HA H 24 4.710 4.815 -0.105 1
1 258 . 25 1 1 X 24 24 PRO CB C 24 31.470 32.100 -0.630 1
1 260 . 25 1 1 X 25 25 PRO HA H 25 4.360 4.601 -0.241 1
1 267 . 25 1 1 X 25 25 PRO CA C 25 64.800 62.409 2.391 1
1 268 . 25 1 1 X 25 25 PRO CB C 25 32.510 33.398 -0.888 1
1 270 . 25 1 1 X 26 26 ARG H H 26 7.830 8.918 -1.088 1
1 271 . 25 1 1 X 26 26 ARG HA H 26 4.260 4.210 0.050 1
1 279 . 25 1 1 X 26 26 ARG CA C 26 57.270 57.965 -0.695 1
1 280 . 25 1 1 X 26 26 ARG CB C 26 31.630 31.106 0.524 1
1 283 . 25 1 1 X 27 27 ALA H H 27 8.030 7.992 0.038 1
1 284 . 25 1 1 X 27 27 ALA HA H 27 4.270 3.968 0.302 1
1 288 . 25 1 1 X 27 27 ALA CA C 27 53.880 53.171 0.709 1
1 289 . 25 1 1 X 27 27 ALA CB C 27 19.920 17.593 2.327 1
1 290 . 25 1 1 X 28 28 TYR H H 28 7.580 8.659 -1.079 1
1 291 . 25 1 1 X 28 28 TYR HA H 28 4.620 4.190 0.430 1
1 298 . 25 1 1 X 28 28 TYR CA C 28 58.240 58.903 -0.663 1
1 299 . 25 1 1 X 28 28 TYR CB C 28 39.910 37.111 2.799 1
1 13 . 26 1 1 X 2 2 LEU H H 2 8.470 8.718 -0.248 1
1 14 . 26 1 1 X 2 2 LEU HA H 2 4.500 4.565 -0.065 1
1 23 . 26 1 1 X 2 2 LEU CA C 2 56.340 53.977 2.363 1
1 24 . 26 1 1 X 2 2 LEU CB C 2 43.690 40.817 2.873 1
1 25 . 26 1 1 X 3 3 VAL H H 3 7.780 7.895 -0.115 1
1 26 . 26 1 1 X 3 3 VAL HA H 3 4.550 4.606 -0.056 1
1 34 . 26 1 1 X 3 3 VAL CA C 3 60.380 60.172 0.208 1
1 35 . 26 1 1 X 3 3 VAL CB C 3 33.980 32.460 1.520 1
1 38 . 26 1 1 X 4 4 PRO HA H 4 4.370 3.434 0.936 1
1 45 . 26 1 1 X 4 4 PRO CA C 4 64.800 63.116 1.684 1
1 46 . 26 1 1 X 4 4 PRO CB C 4 32.660 30.875 1.785 1
1 49 . 26 1 1 X 5 5 GLY H H 5 8.150 8.530 -0.380 1
1 50 . 26 1 1 X 5 5 GLY HA2 H 5 4.030 3.889 0.141 1
1 51 . 26 1 1 X 5 5 GLY HA3 H 5 3.900 3.899 0.001 1
1 52 . 26 1 1 X 5 5 GLY CA C 5 46.820 45.659 1.161 1
1 53 . 26 1 1 X 6 6 ALA H H 6 7.850 8.243 -0.393 1
1 54 . 26 1 1 X 6 6 ALA HA H 6 4.240 4.177 0.063 1
1 58 . 26 1 1 X 6 6 ALA CA C 6 54.770 54.260 0.510 1
1 59 . 26 1 1 X 6 6 ALA CB C 6 19.380 18.440 0.940 1
1 60 . 26 1 1 X 7 7 ALA H H 7 7.920 7.849 0.071 1
1 61 . 26 1 1 X 7 7 ALA HA H 7 4.140 4.904 -0.764 1
1 65 . 26 1 1 X 7 7 ALA CA C 7 55.100 51.625 3.475 1
1 66 . 26 1 1 X 7 7 ALA CB C 7 18.850 19.248 -0.398 1
1 67 . 26 1 1 X 8 8 TYR H H 8 7.580 8.085 -0.505 1
1 68 . 26 1 1 X 8 8 TYR HA H 8 4.370 4.644 -0.274 1
1 75 . 26 1 1 X 8 8 TYR CA C 8 60.430 59.476 0.954 1
1 76 . 26 1 1 X 8 8 TYR CB C 8 39.010 39.519 -0.509 1
1 81 . 26 1 1 X 9 9 ALA H H 9 7.730 8.052 -0.322 1
1 82 . 26 1 1 X 9 9 ALA HA H 9 4.210 4.139 0.071 1
1 86 . 26 1 1 X 9 9 ALA CA C 9 55.020 55.298 -0.278 1
1 87 . 26 1 1 X 9 9 ALA CB C 9 19.180 17.974 1.206 1
1 88 . 26 1 1 X 10 10 LEU H H 10 7.760 8.337 -0.577 1
1 89 . 26 1 1 X 10 10 LEU HA H 10 4.240 4.124 0.116 1
1 98 . 26 1 1 X 10 10 LEU CA C 10 57.200 57.953 -0.753 1
1 99 . 26 1 1 X 10 10 LEU CB C 10 43.090 41.892 1.198 1
1 100 . 26 1 1 X 11 11 TYR HA H 11 4.450 4.391 0.059 1
1 107 . 26 1 1 X 11 11 TYR CA C 11 60.160 61.399 -1.239 1
1 108 . 26 1 1 X 11 11 TYR CB C 11 39.420 37.170 2.250 1
1 113 . 26 1 1 X 12 12 GLY H H 12 7.910 8.106 -0.196 1
1 114 . 26 1 1 X 12 12 GLY HA2 H 12 3.900 4.044 -0.144 1
1 115 . 26 1 1 X 12 12 GLY HA3 H 12 3.900 4.048 -0.148 1
1 116 . 26 1 1 X 12 12 GLY CA C 12 46.720 45.487 1.233 1
1 117 . 26 1 1 X 13 13 VAL H H 13 7.650 7.550 0.100 1
1 118 . 26 1 1 X 13 13 VAL HA H 13 4.330 4.327 0.003 1
1 126 . 26 1 1 X 13 13 VAL CA C 13 62.930 63.761 -0.831 1
1 127 . 26 1 1 X 13 13 VAL CB C 13 33.510 33.483 0.027 1
1 130 . 26 1 1 X 14 14 TRP H H 14 7.780 7.896 -0.116 1
1 131 . 26 1 1 X 14 14 TRP HA H 14 4.800 4.329 0.471 1
1 140 . 26 1 1 X 14 14 TRP CB C 14 29.030 28.474 0.556 1
1 146 . 26 1 1 X 15 15 PRO HA H 15 4.190 4.020 0.170 1
1 153 . 26 1 1 X 15 15 PRO CA C 15 66.860 65.512 1.348 1
1 154 . 26 1 1 X 15 15 PRO CB C 15 31.920 30.740 1.180 1
1 157 . 26 1 1 X 16 16 LEU H H 16 7.110 7.674 -0.564 1
1 158 . 26 1 1 X 16 16 LEU HA H 16 4.180 3.943 0.237 1
1 167 . 26 1 1 X 16 16 LEU CA C 16 58.170 57.707 0.463 1
1 168 . 26 1 1 X 16 16 LEU CB C 16 42.760 41.813 0.947 1
1 169 . 26 1 1 X 17 17 LEU H H 17 7.700 7.715 -0.015 1
1 170 . 26 1 1 X 17 17 LEU HA H 17 4.030 3.968 0.062 1
1 179 . 26 1 1 X 17 17 LEU CA C 17 59.060 58.024 1.036 1
1 180 . 26 1 1 X 18 18 LEU H H 18 7.790 7.615 0.175 1
1 181 . 26 1 1 X 18 18 LEU HA H 18 4.010 3.845 0.165 1
1 191 . 26 1 1 X 18 18 LEU CA C 18 58.910 57.902 1.008 1
1 192 . 26 1 1 X 18 18 LEU CB C 18 42.500 41.252 1.248 1
1 194 . 26 1 1 X 19 19 LEU H H 19 7.440 8.448 -1.008 1
1 195 . 26 1 1 X 19 19 LEU HA H 19 4.140 3.970 0.170 1
1 204 . 26 1 1 X 19 19 LEU CA C 19 58.860 57.630 1.230 1
1 205 . 26 1 1 X 19 19 LEU CB C 19 42.790 40.992 1.798 1
1 206 . 26 1 1 X 20 20 LEU H H 20 8.070 8.077 -0.007 1
1 207 . 26 1 1 X 20 20 LEU HA H 20 4.120 4.139 -0.019 1
1 216 . 26 1 1 X 20 20 LEU CA C 20 58.590 57.680 0.910 1
1 217 . 26 1 1 X 20 20 LEU CB C 20 42.780 41.433 1.347 1
1 218 . 26 1 1 X 21 21 LEU H H 21 8.100 8.482 -0.382 1
1 219 . 26 1 1 X 21 21 LEU HA H 21 4.260 4.001 0.259 1
1 228 . 26 1 1 X 21 21 LEU CA C 21 57.160 57.930 -0.770 1
1 229 . 26 1 1 X 21 21 LEU CB C 21 43.230 41.633 1.597 1
1 230 . 26 1 1 X 22 22 ALA H H 22 7.790 7.643 0.147 1
1 231 . 26 1 1 X 22 22 ALA HA H 22 4.360 4.484 -0.124 1
1 235 . 26 1 1 X 22 22 ALA CA C 22 53.810 51.239 2.571 1
1 236 . 26 1 1 X 22 22 ALA CB C 22 19.990 19.032 0.958 1
1 237 . 26 1 1 X 23 23 LEU H H 23 7.620 6.783 0.837 1
1 238 . 26 1 1 X 23 23 LEU HA H 23 4.610 4.914 -0.304 1
1 248 . 26 1 1 X 23 23 LEU CA C 23 54.620 53.067 1.553 1
1 249 . 26 1 1 X 23 23 LEU CB C 23 42.710 41.984 0.726 1
1 251 . 26 1 1 X 24 24 PRO HA H 24 4.710 4.662 0.048 1
1 258 . 26 1 1 X 24 24 PRO CB C 24 31.470 32.426 -0.956 1
1 260 . 26 1 1 X 25 25 PRO HA H 25 4.360 4.577 -0.217 1
1 267 . 26 1 1 X 25 25 PRO CA C 25 64.800 62.273 2.527 1
1 268 . 26 1 1 X 25 25 PRO CB C 25 32.510 33.321 -0.811 1
1 270 . 26 1 1 X 26 26 ARG H H 26 7.830 8.991 -1.161 1
1 271 . 26 1 1 X 26 26 ARG HA H 26 4.260 4.337 -0.077 1
1 279 . 26 1 1 X 26 26 ARG CA C 26 57.270 59.074 -1.804 1
1 280 . 26 1 1 X 26 26 ARG CB C 26 31.630 30.885 0.745 1
1 283 . 26 1 1 X 27 27 ALA H H 27 8.030 7.911 0.119 1
1 284 . 26 1 1 X 27 27 ALA HA H 27 4.270 4.613 -0.343 1
1 288 . 26 1 1 X 27 27 ALA CA C 27 53.880 51.271 2.609 1
1 289 . 26 1 1 X 27 27 ALA CB C 27 19.920 19.029 0.891 1
1 290 . 26 1 1 X 28 28 TYR H H 28 7.580 8.455 -0.875 1
1 291 . 26 1 1 X 28 28 TYR HA H 28 4.620 4.759 -0.139 1
1 298 . 26 1 1 X 28 28 TYR CA C 28 58.240 59.440 -1.200 1
1 299 . 26 1 1 X 28 28 TYR CB C 28 39.910 40.338 -0.428 1
1 13 . 27 1 1 X 2 2 LEU H H 2 8.470 8.879 -0.409 1
1 14 . 27 1 1 X 2 2 LEU HA H 2 4.500 4.793 -0.293 1
1 23 . 27 1 1 X 2 2 LEU CA C 2 56.340 54.036 2.304 1
1 24 . 27 1 1 X 2 2 LEU CB C 2 43.690 43.274 0.416 1
1 25 . 27 1 1 X 3 3 VAL H H 3 7.780 8.593 -0.813 1
1 26 . 27 1 1 X 3 3 VAL HA H 3 4.550 4.826 -0.276 1
1 34 . 27 1 1 X 3 3 VAL CA C 3 60.380 58.246 2.134 1
1 35 . 27 1 1 X 3 3 VAL CB C 3 33.980 34.989 -1.009 1
1 38 . 27 1 1 X 4 4 PRO HA H 4 4.370 4.446 -0.076 1
1 45 . 27 1 1 X 4 4 PRO CA C 4 64.800 63.355 1.445 1
1 46 . 27 1 1 X 4 4 PRO CB C 4 32.660 29.992 2.668 1
1 49 . 27 1 1 X 5 5 GLY H H 5 8.150 8.478 -0.328 1
1 50 . 27 1 1 X 5 5 GLY HA2 H 5 4.030 3.934 0.096 1
1 51 . 27 1 1 X 5 5 GLY HA3 H 5 3.900 3.969 -0.069 1
1 52 . 27 1 1 X 5 5 GLY CA C 5 46.820 45.517 1.303 1
1 53 . 27 1 1 X 6 6 ALA H H 6 7.850 8.213 -0.363 1
1 54 . 27 1 1 X 6 6 ALA HA H 6 4.240 4.105 0.135 1
1 58 . 27 1 1 X 6 6 ALA CA C 6 54.770 53.306 1.464 1
1 59 . 27 1 1 X 6 6 ALA CB C 6 19.380 17.390 1.990 1
1 60 . 27 1 1 X 7 7 ALA H H 7 7.920 8.311 -0.391 1
1 61 . 27 1 1 X 7 7 ALA HA H 7 4.140 4.136 0.004 1
1 65 . 27 1 1 X 7 7 ALA CA C 7 55.100 53.118 1.982 1
1 66 . 27 1 1 X 7 7 ALA CB C 7 18.850 17.140 1.710 1
1 67 . 27 1 1 X 8 8 TYR H H 8 7.580 8.233 -0.653 1
1 68 . 27 1 1 X 8 8 TYR HA H 8 4.370 4.556 -0.186 1
1 75 . 27 1 1 X 8 8 TYR CA C 8 60.430 60.023 0.407 1
1 76 . 27 1 1 X 8 8 TYR CB C 8 39.010 39.688 -0.678 1
1 81 . 27 1 1 X 9 9 ALA H H 9 7.730 8.584 -0.854 1
1 82 . 27 1 1 X 9 9 ALA HA H 9 4.210 4.172 0.038 1
1 86 . 27 1 1 X 9 9 ALA CA C 9 55.020 55.320 -0.300 1
1 87 . 27 1 1 X 9 9 ALA CB C 9 19.180 18.053 1.127 1
1 88 . 27 1 1 X 10 10 LEU H H 10 7.760 8.249 -0.489 1
1 89 . 27 1 1 X 10 10 LEU HA H 10 4.240 4.128 0.112 1
1 98 . 27 1 1 X 10 10 LEU CA C 10 57.200 58.086 -0.886 1
1 99 . 27 1 1 X 10 10 LEU CB C 10 43.090 41.940 1.150 1
1 100 . 27 1 1 X 11 11 TYR HA H 11 4.450 4.625 -0.175 1
1 107 . 27 1 1 X 11 11 TYR CA C 11 60.160 60.363 -0.203 1
1 108 . 27 1 1 X 11 11 TYR CB C 11 39.420 37.293 2.127 1
1 113 . 27 1 1 X 12 12 GLY H H 12 7.910 8.087 -0.177 1
1 114 . 27 1 1 X 12 12 GLY HA2 H 12 3.900 3.800 0.100 1
1 115 . 27 1 1 X 12 12 GLY HA3 H 12 3.900 3.807 0.093 1
1 116 . 27 1 1 X 12 12 GLY CA C 12 46.720 46.863 -0.143 1
1 117 . 27 1 1 X 13 13 VAL H H 13 7.650 7.912 -0.262 1
1 118 . 27 1 1 X 13 13 VAL HA H 13 4.330 3.999 0.331 1
1 126 . 27 1 1 X 13 13 VAL CA C 13 62.930 65.747 -2.817 1
1 127 . 27 1 1 X 13 13 VAL CB C 13 33.510 31.407 2.103 1
1 130 . 27 1 1 X 14 14 TRP H H 14 7.780 7.877 -0.097 1
1 131 . 27 1 1 X 14 14 TRP HA H 14 4.800 4.412 0.388 1
1 140 . 27 1 1 X 14 14 TRP CB C 14 29.030 27.913 1.117 1
1 146 . 27 1 1 X 15 15 PRO HA H 15 4.190 4.009 0.181 1
1 153 . 27 1 1 X 15 15 PRO CA C 15 66.860 65.429 1.431 1
1 154 . 27 1 1 X 15 15 PRO CB C 15 31.920 30.898 1.022 1
1 157 . 27 1 1 X 16 16 LEU H H 16 7.110 7.644 -0.534 1
1 158 . 27 1 1 X 16 16 LEU HA H 16 4.180 3.952 0.228 1
1 167 . 27 1 1 X 16 16 LEU CA C 16 58.170 57.649 0.521 1
1 168 . 27 1 1 X 16 16 LEU CB C 16 42.760 41.830 0.930 1
1 169 . 27 1 1 X 17 17 LEU H H 17 7.700 7.869 -0.169 1
1 170 . 27 1 1 X 17 17 LEU HA H 17 4.030 4.008 0.022 1
1 179 . 27 1 1 X 17 17 LEU CA C 17 59.060 58.038 1.022 1
1 180 . 27 1 1 X 18 18 LEU H H 18 7.790 7.626 0.164 1
1 181 . 27 1 1 X 18 18 LEU HA H 18 4.010 3.837 0.173 1
1 191 . 27 1 1 X 18 18 LEU CA C 18 58.910 57.899 1.011 1
1 192 . 27 1 1 X 18 18 LEU CB C 18 42.500 41.275 1.225 1
1 194 . 27 1 1 X 19 19 LEU H H 19 7.440 8.398 -0.958 1
1 195 . 27 1 1 X 19 19 LEU HA H 19 4.140 3.956 0.184 1
1 204 . 27 1 1 X 19 19 LEU CA C 19 58.860 57.803 1.057 1
1 205 . 27 1 1 X 19 19 LEU CB C 19 42.790 41.622 1.168 1
1 206 . 27 1 1 X 20 20 LEU H H 20 8.070 8.505 -0.435 1
1 207 . 27 1 1 X 20 20 LEU HA H 20 4.120 3.929 0.191 1
1 216 . 27 1 1 X 20 20 LEU CA C 20 58.590 58.179 0.411 1
1 217 . 27 1 1 X 20 20 LEU CB C 20 42.780 41.476 1.304 1
1 218 . 27 1 1 X 21 21 LEU H H 21 8.100 8.168 -0.068 1
1 219 . 27 1 1 X 21 21 LEU HA H 21 4.260 3.997 0.263 1
1 228 . 27 1 1 X 21 21 LEU CA C 21 57.160 57.556 -0.396 1
1 229 . 27 1 1 X 21 21 LEU CB C 21 43.230 41.518 1.712 1
1 230 . 27 1 1 X 22 22 ALA H H 22 7.790 7.442 0.348 1
1 231 . 27 1 1 X 22 22 ALA HA H 22 4.360 4.322 0.038 1
1 235 . 27 1 1 X 22 22 ALA CA C 22 53.810 52.450 1.360 1
1 236 . 27 1 1 X 22 22 ALA CB C 22 19.990 19.467 0.523 1
1 237 . 27 1 1 X 23 23 LEU H H 23 7.620 7.470 0.150 1
1 238 . 27 1 1 X 23 23 LEU HA H 23 4.610 4.736 -0.126 1
1 248 . 27 1 1 X 23 23 LEU CA C 23 54.620 52.075 2.545 1
1 249 . 27 1 1 X 23 23 LEU CB C 23 42.710 42.562 0.148 1
1 251 . 27 1 1 X 24 24 PRO HA H 24 4.710 4.615 0.095 1
1 258 . 27 1 1 X 24 24 PRO CB C 24 31.470 31.890 -0.420 1
1 260 . 27 1 1 X 25 25 PRO HA H 25 4.360 4.509 -0.149 1
1 267 . 27 1 1 X 25 25 PRO CA C 25 64.800 62.397 2.403 1
1 268 . 27 1 1 X 25 25 PRO CB C 25 32.510 33.042 -0.532 1
1 270 . 27 1 1 X 26 26 ARG H H 26 7.830 8.813 -0.983 1
1 271 . 27 1 1 X 26 26 ARG HA H 26 4.260 4.505 -0.245 1
1 279 . 27 1 1 X 26 26 ARG CA C 26 57.270 56.887 0.383 1
1 280 . 27 1 1 X 26 26 ARG CB C 26 31.630 32.085 -0.455 1
1 283 . 27 1 1 X 27 27 ALA H H 27 8.030 7.917 0.113 1
1 284 . 27 1 1 X 27 27 ALA HA H 27 4.270 4.535 -0.265 1
1 288 . 27 1 1 X 27 27 ALA CA C 27 53.880 51.408 2.472 1
1 289 . 27 1 1 X 27 27 ALA CB C 27 19.920 19.925 -0.005 1
1 290 . 27 1 1 X 28 28 TYR H H 28 7.580 7.675 -0.095 1
1 291 . 27 1 1 X 28 28 TYR HA H 28 4.620 4.723 -0.103 1
1 298 . 27 1 1 X 28 28 TYR CA C 28 58.240 57.390 0.850 1
1 299 . 27 1 1 X 28 28 TYR CB C 28 39.910 40.575 -0.665 1
1 13 . 28 1 1 X 2 2 LEU H H 2 8.470 8.834 -0.364 1
1 14 . 28 1 1 X 2 2 LEU HA H 2 4.500 4.058 0.442 1
1 23 . 28 1 1 X 2 2 LEU CA C 2 56.340 55.857 0.483 1
1 24 . 28 1 1 X 2 2 LEU CB C 2 43.690 40.588 3.102 1
1 25 . 28 1 1 X 3 3 VAL H H 3 7.780 8.347 -0.567 1
1 26 . 28 1 1 X 3 3 VAL HA H 3 4.550 4.734 -0.184 1
1 34 . 28 1 1 X 3 3 VAL CA C 3 60.380 58.676 1.704 1
1 35 . 28 1 1 X 3 3 VAL CB C 3 33.980 33.534 0.446 1
1 38 . 28 1 1 X 4 4 PRO HA H 4 4.370 4.624 -0.254 1
1 45 . 28 1 1 X 4 4 PRO CA C 4 64.800 62.112 2.688 1
1 46 . 28 1 1 X 4 4 PRO CB C 4 32.660 33.233 -0.573 1
1 49 . 28 1 1 X 5 5 GLY H H 5 8.150 8.730 -0.580 1
1 50 . 28 1 1 X 5 5 GLY HA2 H 5 4.030 3.863 0.167 1
1 51 . 28 1 1 X 5 5 GLY HA3 H 5 3.900 3.907 -0.007 1
1 52 . 28 1 1 X 5 5 GLY CA C 5 46.820 46.968 -0.148 1
1 53 . 28 1 1 X 6 6 ALA H H 6 7.850 8.059 -0.209 1
1 54 . 28 1 1 X 6 6 ALA HA H 6 4.240 4.088 0.152 1
1 58 . 28 1 1 X 6 6 ALA CA C 6 54.770 54.812 -0.042 1
1 59 . 28 1 1 X 6 6 ALA CB C 6 19.380 18.856 0.524 1
1 60 . 28 1 1 X 7 7 ALA H H 7 7.920 7.378 0.542 1
1 61 . 28 1 1 X 7 7 ALA HA H 7 4.140 4.816 -0.676 1
1 65 . 28 1 1 X 7 7 ALA CA C 7 55.100 51.214 3.886 1
1 66 . 28 1 1 X 7 7 ALA CB C 7 18.850 19.792 -0.942 1
1 67 . 28 1 1 X 8 8 TYR H H 8 7.580 7.612 -0.032 1
1 68 . 28 1 1 X 8 8 TYR HA H 8 4.370 4.338 0.032 1
1 75 . 28 1 1 X 8 8 TYR CA C 8 60.430 61.178 -0.748 1
1 76 . 28 1 1 X 8 8 TYR CB C 8 39.010 39.309 -0.299 1
1 81 . 28 1 1 X 9 9 ALA H H 9 7.730 8.132 -0.402 1
1 82 . 28 1 1 X 9 9 ALA HA H 9 4.210 4.378 -0.168 1
1 86 . 28 1 1 X 9 9 ALA CA C 9 55.020 53.888 1.132 1
1 87 . 28 1 1 X 9 9 ALA CB C 9 19.180 18.873 0.307 1
1 88 . 28 1 1 X 10 10 LEU H H 10 7.760 8.157 -0.397 1
1 89 . 28 1 1 X 10 10 LEU HA H 10 4.240 4.254 -0.014 1
1 98 . 28 1 1 X 10 10 LEU CA C 10 57.200 57.442 -0.242 1
1 99 . 28 1 1 X 10 10 LEU CB C 10 43.090 42.157 0.933 1
1 100 . 28 1 1 X 11 11 TYR HA H 11 4.450 4.646 -0.196 1
1 107 . 28 1 1 X 11 11 TYR CA C 11 60.160 58.789 1.371 1
1 108 . 28 1 1 X 11 11 TYR CB C 11 39.420 38.159 1.261 1
1 113 . 28 1 1 X 12 12 GLY H H 12 7.910 7.975 -0.065 1
1 114 . 28 1 1 X 12 12 GLY HA2 H 12 3.900 4.130 -0.230 1
1 115 . 28 1 1 X 12 12 GLY HA3 H 12 3.900 4.173 -0.273 1
1 116 . 28 1 1 X 12 12 GLY CA C 12 46.720 45.596 1.124 1
1 117 . 28 1 1 X 13 13 VAL H H 13 7.650 7.727 -0.077 1
1 118 . 28 1 1 X 13 13 VAL HA H 13 4.330 4.511 -0.181 1
1 126 . 28 1 1 X 13 13 VAL CA C 13 62.930 61.283 1.647 1
1 127 . 28 1 1 X 13 13 VAL CB C 13 33.510 33.502 0.008 1
1 130 . 28 1 1 X 14 14 TRP H H 14 7.780 8.108 -0.328 1
1 131 . 28 1 1 X 14 14 TRP HA H 14 4.800 4.402 0.398 1
1 140 . 28 1 1 X 14 14 TRP CB C 14 29.030 27.918 1.112 1
1 146 . 28 1 1 X 15 15 PRO HA H 15 4.190 4.044 0.146 1
1 153 . 28 1 1 X 15 15 PRO CA C 15 66.860 65.686 1.174 1
1 154 . 28 1 1 X 15 15 PRO CB C 15 31.920 30.649 1.271 1
1 157 . 28 1 1 X 16 16 LEU H H 16 7.110 7.624 -0.514 1
1 158 . 28 1 1 X 16 16 LEU HA H 16 4.180 3.929 0.251 1
1 167 . 28 1 1 X 16 16 LEU CA C 16 58.170 57.485 0.685 1
1 168 . 28 1 1 X 16 16 LEU CB C 16 42.760 41.925 0.835 1
1 169 . 28 1 1 X 17 17 LEU H H 17 7.700 8.284 -0.584 1
1 170 . 28 1 1 X 17 17 LEU HA H 17 4.030 3.944 0.086 1
1 179 . 28 1 1 X 17 17 LEU CA C 17 59.060 57.984 1.076 1
1 180 . 28 1 1 X 18 18 LEU H H 18 7.790 8.023 -0.233 1
1 181 . 28 1 1 X 18 18 LEU HA H 18 4.010 3.754 0.256 1
1 191 . 28 1 1 X 18 18 LEU CA C 18 58.910 57.691 1.219 1
1 192 . 28 1 1 X 18 18 LEU CB C 18 42.500 40.971 1.529 1
1 194 . 28 1 1 X 19 19 LEU H H 19 7.440 8.267 -0.827 1
1 195 . 28 1 1 X 19 19 LEU HA H 19 4.140 3.974 0.166 1
1 204 . 28 1 1 X 19 19 LEU CA C 19 58.860 57.751 1.109 1
1 205 . 28 1 1 X 19 19 LEU CB C 19 42.790 41.474 1.316 1
1 206 . 28 1 1 X 20 20 LEU H H 20 8.070 8.160 -0.090 1
1 207 . 28 1 1 X 20 20 LEU HA H 20 4.120 4.010 0.110 1
1 216 . 28 1 1 X 20 20 LEU CA C 20 58.590 57.637 0.953 1
1 217 . 28 1 1 X 20 20 LEU CB C 20 42.780 41.334 1.446 1
1 218 . 28 1 1 X 21 21 LEU H H 21 8.100 8.497 -0.397 1
1 219 . 28 1 1 X 21 21 LEU HA H 21 4.260 3.939 0.321 1
1 228 . 28 1 1 X 21 21 LEU CA C 21 57.160 57.851 -0.691 1
1 229 . 28 1 1 X 21 21 LEU CB C 21 43.230 41.536 1.694 1
1 230 . 28 1 1 X 22 22 ALA H H 22 7.790 7.365 0.425 1
1 231 . 28 1 1 X 22 22 ALA HA H 22 4.360 4.419 -0.059 1
1 235 . 28 1 1 X 22 22 ALA CA C 22 53.810 51.144 2.666 1
1 236 . 28 1 1 X 22 22 ALA CB C 22 19.990 18.905 1.085 1
1 237 . 28 1 1 X 23 23 LEU H H 23 7.620 6.973 0.647 1
1 238 . 28 1 1 X 23 23 LEU HA H 23 4.610 4.618 -0.008 1
1 248 . 28 1 1 X 23 23 LEU CA C 23 54.620 52.827 1.793 1
1 249 . 28 1 1 X 23 23 LEU CB C 23 42.710 42.040 0.670 1
1 251 . 28 1 1 X 24 24 PRO HA H 24 4.710 4.833 -0.123 1
1 258 . 28 1 1 X 24 24 PRO CB C 24 31.470 31.711 -0.241 1
1 260 . 28 1 1 X 25 25 PRO HA H 25 4.360 4.915 -0.555 1
1 267 . 28 1 1 X 25 25 PRO CA C 25 64.800 62.750 2.050 1
1 268 . 28 1 1 X 25 25 PRO CB C 25 32.510 32.606 -0.096 1
1 270 . 28 1 1 X 26 26 ARG H H 26 7.830 9.076 -1.246 1
1 271 . 28 1 1 X 26 26 ARG HA H 26 4.260 4.542 -0.282 1
1 279 . 28 1 1 X 26 26 ARG CA C 26 57.270 57.491 -0.221 1
1 280 . 28 1 1 X 26 26 ARG CB C 26 31.630 32.566 -0.936 1
1 283 . 28 1 1 X 27 27 ALA H H 27 8.030 7.887 0.143 1
1 284 . 28 1 1 X 27 27 ALA HA H 27 4.270 4.450 -0.180 1
1 288 . 28 1 1 X 27 27 ALA CA C 27 53.880 51.078 2.802 1
1 289 . 28 1 1 X 27 27 ALA CB C 27 19.920 19.189 0.731 1
1 290 . 28 1 1 X 28 28 TYR H H 28 7.580 7.854 -0.274 1
1 291 . 28 1 1 X 28 28 TYR HA H 28 4.620 4.430 0.190 1
1 298 . 28 1 1 X 28 28 TYR CA C 28 58.240 59.224 -0.984 1
1 299 . 28 1 1 X 28 28 TYR CB C 28 39.910 39.583 0.327 1
1 13 . 29 1 1 X 2 2 LEU H H 2 8.470 8.234 0.236 1
1 14 . 29 1 1 X 2 2 LEU HA H 2 4.500 4.753 -0.253 1
1 23 . 29 1 1 X 2 2 LEU CA C 2 56.340 53.988 2.352 1
1 24 . 29 1 1 X 2 2 LEU CB C 2 43.690 41.102 2.588 1
1 25 . 29 1 1 X 3 3 VAL H H 3 7.780 8.276 -0.496 1
1 26 . 29 1 1 X 3 3 VAL HA H 3 4.550 4.448 0.102 1
1 34 . 29 1 1 X 3 3 VAL CA C 3 60.380 60.838 -0.458 1
1 35 . 29 1 1 X 3 3 VAL CB C 3 33.980 31.699 2.281 1
1 38 . 29 1 1 X 4 4 PRO HA H 4 4.370 4.547 -0.177 1
1 45 . 29 1 1 X 4 4 PRO CA C 4 64.800 63.282 1.518 1
1 46 . 29 1 1 X 4 4 PRO CB C 4 32.660 30.981 1.679 1
1 49 . 29 1 1 X 5 5 GLY H H 5 8.150 8.104 0.046 1
1 50 . 29 1 1 X 5 5 GLY HA2 H 5 4.030 3.958 0.072 1
1 51 . 29 1 1 X 5 5 GLY HA3 H 5 3.900 3.994 -0.094 1
1 52 . 29 1 1 X 5 5 GLY CA C 5 46.820 45.382 1.438 1
1 53 . 29 1 1 X 6 6 ALA H H 6 7.850 8.233 -0.383 1
1 54 . 29 1 1 X 6 6 ALA HA H 6 4.240 4.027 0.213 1
1 58 . 29 1 1 X 6 6 ALA CA C 6 54.770 55.062 -0.292 1
1 59 . 29 1 1 X 6 6 ALA CB C 6 19.380 18.888 0.492 1
1 60 . 29 1 1 X 7 7 ALA H H 7 7.920 8.021 -0.101 1
1 61 . 29 1 1 X 7 7 ALA HA H 7 4.140 4.828 -0.688 1
1 65 . 29 1 1 X 7 7 ALA CA C 7 55.100 51.773 3.327 1
1 66 . 29 1 1 X 7 7 ALA CB C 7 18.850 19.144 -0.294 1
1 67 . 29 1 1 X 8 8 TYR H H 8 7.580 8.367 -0.787 1
1 68 . 29 1 1 X 8 8 TYR HA H 8 4.370 4.621 -0.251 1
1 75 . 29 1 1 X 8 8 TYR CA C 8 60.430 60.882 -0.452 1
1 76 . 29 1 1 X 8 8 TYR CB C 8 39.010 39.751 -0.741 1
1 81 . 29 1 1 X 9 9 ALA H H 9 7.730 8.280 -0.550 1
1 82 . 29 1 1 X 9 9 ALA HA H 9 4.210 4.173 0.037 1
1 86 . 29 1 1 X 9 9 ALA CA C 9 55.020 55.322 -0.302 1
1 87 . 29 1 1 X 9 9 ALA CB C 9 19.180 18.077 1.103 1
1 88 . 29 1 1 X 10 10 LEU H H 10 7.760 8.239 -0.479 1
1 89 . 29 1 1 X 10 10 LEU HA H 10 4.240 4.077 0.163 1
1 98 . 29 1 1 X 10 10 LEU CA C 10 57.200 58.142 -0.942 1
1 99 . 29 1 1 X 10 10 LEU CB C 10 43.090 41.964 1.126 1
1 100 . 29 1 1 X 11 11 TYR HA H 11 4.450 4.415 0.035 1
1 107 . 29 1 1 X 11 11 TYR CA C 11 60.160 61.944 -1.784 1
1 108 . 29 1 1 X 11 11 TYR CB C 11 39.420 36.698 2.722 1
1 113 . 29 1 1 X 12 12 GLY H H 12 7.910 8.226 -0.316 1
1 114 . 29 1 1 X 12 12 GLY HA2 H 12 3.900 3.908 -0.008 1
1 115 . 29 1 1 X 12 12 GLY HA3 H 12 3.900 3.913 -0.013 1
1 116 . 29 1 1 X 12 12 GLY CA C 12 46.720 45.941 0.779 1
1 117 . 29 1 1 X 13 13 VAL H H 13 7.650 7.724 -0.074 1
1 118 . 29 1 1 X 13 13 VAL HA H 13 4.330 4.149 0.181 1
1 126 . 29 1 1 X 13 13 VAL CA C 13 62.930 64.427 -1.497 1
1 127 . 29 1 1 X 13 13 VAL CB C 13 33.510 32.642 0.868 1
1 130 . 29 1 1 X 14 14 TRP H H 14 7.780 8.360 -0.580 1
1 131 . 29 1 1 X 14 14 TRP HA H 14 4.800 4.410 0.390 1
1 140 . 29 1 1 X 14 14 TRP CB C 14 29.030 27.782 1.248 1
1 146 . 29 1 1 X 15 15 PRO HA H 15 4.190 4.002 0.188 1
1 153 . 29 1 1 X 15 15 PRO CA C 15 66.860 65.486 1.374 1
1 154 . 29 1 1 X 15 15 PRO CB C 15 31.920 30.817 1.103 1
1 157 . 29 1 1 X 16 16 LEU H H 16 7.110 7.608 -0.498 1
1 158 . 29 1 1 X 16 16 LEU HA H 16 4.180 3.946 0.234 1
1 167 . 29 1 1 X 16 16 LEU CA C 16 58.170 57.638 0.532 1
1 168 . 29 1 1 X 16 16 LEU CB C 16 42.760 41.802 0.958 1
1 169 . 29 1 1 X 17 17 LEU H H 17 7.700 8.210 -0.510 1
1 170 . 29 1 1 X 17 17 LEU HA H 17 4.030 4.004 0.026 1
1 179 . 29 1 1 X 17 17 LEU CA C 17 59.060 58.065 0.995 1
1 180 . 29 1 1 X 18 18 LEU H H 18 7.790 7.647 0.143 1
1 181 . 29 1 1 X 18 18 LEU HA H 18 4.010 3.831 0.179 1
1 191 . 29 1 1 X 18 18 LEU CA C 18 58.910 57.946 0.964 1
1 192 . 29 1 1 X 18 18 LEU CB C 18 42.500 41.257 1.243 1
1 194 . 29 1 1 X 19 19 LEU H H 19 7.440 8.408 -0.968 1
1 195 . 29 1 1 X 19 19 LEU HA H 19 4.140 3.973 0.167 1
1 204 . 29 1 1 X 19 19 LEU CA C 19 58.860 57.800 1.060 1
1 205 . 29 1 1 X 19 19 LEU CB C 19 42.790 41.468 1.322 1
1 206 . 29 1 1 X 20 20 LEU H H 20 8.070 8.541 -0.471 1
1 207 . 29 1 1 X 20 20 LEU HA H 20 4.120 3.963 0.157 1
1 216 . 29 1 1 X 20 20 LEU CA C 20 58.590 58.087 0.503 1
1 217 . 29 1 1 X 20 20 LEU CB C 20 42.780 41.529 1.251 1
1 218 . 29 1 1 X 21 21 LEU H H 21 8.100 7.977 0.123 1
1 219 . 29 1 1 X 21 21 LEU HA H 21 4.260 3.983 0.277 1
1 228 . 29 1 1 X 21 21 LEU CA C 21 57.160 57.796 -0.636 1
1 229 . 29 1 1 X 21 21 LEU CB C 21 43.230 41.470 1.760 1
1 230 . 29 1 1 X 22 22 ALA H H 22 7.790 7.278 0.512 1
1 231 . 29 1 1 X 22 22 ALA HA H 22 4.360 4.426 -0.066 1
1 235 . 29 1 1 X 22 22 ALA CA C 22 53.810 51.509 2.301 1
1 236 . 29 1 1 X 22 22 ALA CB C 22 19.990 18.919 1.071 1
1 237 . 29 1 1 X 23 23 LEU H H 23 7.620 6.893 0.727 1
1 238 . 29 1 1 X 23 23 LEU HA H 23 4.610 4.778 -0.168 1
1 248 . 29 1 1 X 23 23 LEU CA C 23 54.620 51.353 3.267 1
1 249 . 29 1 1 X 23 23 LEU CB C 23 42.710 44.846 -2.136 1
1 251 . 29 1 1 X 24 24 PRO HA H 24 4.710 4.331 0.379 1
1 258 . 29 1 1 X 24 24 PRO CB C 24 31.470 31.961 -0.491 1
1 260 . 29 1 1 X 25 25 PRO HA H 25 4.360 4.611 -0.251 1
1 267 . 29 1 1 X 25 25 PRO CA C 25 64.800 62.587 2.213 1
1 268 . 29 1 1 X 25 25 PRO CB C 25 32.510 33.558 -1.048 1
1 270 . 29 1 1 X 26 26 ARG H H 26 7.830 8.284 -0.454 1
1 271 . 29 1 1 X 26 26 ARG HA H 26 4.260 4.520 -0.260 1
1 279 . 29 1 1 X 26 26 ARG CA C 26 57.270 56.532 0.738 1
1 280 . 29 1 1 X 26 26 ARG CB C 26 31.630 32.083 -0.453 1
1 283 . 29 1 1 X 27 27 ALA H H 27 8.030 8.143 -0.113 1
1 284 . 29 1 1 X 27 27 ALA HA H 27 4.270 4.072 0.198 1
1 288 . 29 1 1 X 27 27 ALA CA C 27 53.880 53.300 0.580 1
1 289 . 29 1 1 X 27 27 ALA CB C 27 19.920 17.310 2.610 1
1 290 . 29 1 1 X 28 28 TYR H H 28 7.580 8.051 -0.471 1
1 291 . 29 1 1 X 28 28 TYR HA H 28 4.620 4.805 -0.185 1
1 298 . 29 1 1 X 28 28 TYR CA C 28 58.240 59.245 -1.005 1
1 299 . 29 1 1 X 28 28 TYR CB C 28 39.910 40.408 -0.498 1
1 13 . 30 1 1 X 2 2 LEU H H 2 8.470 8.530 -0.060 1
1 14 . 30 1 1 X 2 2 LEU HA H 2 4.500 4.838 -0.338 1
1 23 . 30 1 1 X 2 2 LEU CA C 2 56.340 54.740 1.600 1
1 24 . 30 1 1 X 2 2 LEU CB C 2 43.690 45.900 -2.210 1
1 25 . 30 1 1 X 3 3 VAL H H 3 7.780 8.834 -1.054 1
1 26 . 30 1 1 X 3 3 VAL HA H 3 4.550 4.942 -0.392 1
1 34 . 30 1 1 X 3 3 VAL CA C 3 60.380 58.284 2.096 1
1 35 . 30 1 1 X 3 3 VAL CB C 3 33.980 34.746 -0.766 1
1 38 . 30 1 1 X 4 4 PRO HA H 4 4.370 4.445 -0.075 1
1 45 . 30 1 1 X 4 4 PRO CA C 4 64.800 63.395 1.405 1
1 46 . 30 1 1 X 4 4 PRO CB C 4 32.660 30.337 2.323 1
1 49 . 30 1 1 X 5 5 GLY H H 5 8.150 8.594 -0.444 1
1 50 . 30 1 1 X 5 5 GLY HA2 H 5 4.030 3.897 0.133 1
1 51 . 30 1 1 X 5 5 GLY HA3 H 5 3.900 3.944 -0.044 1
1 52 . 30 1 1 X 5 5 GLY CA C 5 46.820 46.161 0.659 1
1 53 . 30 1 1 X 6 6 ALA H H 6 7.850 8.220 -0.370 1
1 54 . 30 1 1 X 6 6 ALA HA H 6 4.240 4.122 0.118 1
1 58 . 30 1 1 X 6 6 ALA CA C 6 54.770 53.425 1.345 1
1 59 . 30 1 1 X 6 6 ALA CB C 6 19.380 17.372 2.008 1
1 60 . 30 1 1 X 7 7 ALA H H 7 7.920 8.317 -0.397 1
1 61 . 30 1 1 X 7 7 ALA HA H 7 4.140 4.177 -0.037 1
1 65 . 30 1 1 X 7 7 ALA CA C 7 55.100 53.396 1.704 1
1 66 . 30 1 1 X 7 7 ALA CB C 7 18.850 17.416 1.434 1
1 67 . 30 1 1 X 8 8 TYR H H 8 7.580 7.831 -0.251 1
1 68 . 30 1 1 X 8 8 TYR HA H 8 4.370 4.474 -0.104 1
1 75 . 30 1 1 X 8 8 TYR CA C 8 60.430 60.315 0.115 1
1 76 . 30 1 1 X 8 8 TYR CB C 8 39.010 39.310 -0.300 1
1 81 . 30 1 1 X 9 9 ALA H H 9 7.730 8.052 -0.322 1
1 82 . 30 1 1 X 9 9 ALA HA H 9 4.210 4.359 -0.149 1
1 86 . 30 1 1 X 9 9 ALA CA C 9 55.020 52.886 2.134 1
1 87 . 30 1 1 X 9 9 ALA CB C 9 19.180 18.049 1.131 1
1 88 . 30 1 1 X 10 10 LEU H H 10 7.760 7.903 -0.143 1
1 89 . 30 1 1 X 10 10 LEU HA H 10 4.240 4.644 -0.404 1
1 98 . 30 1 1 X 10 10 LEU CA C 10 57.200 56.606 0.594 1
1 99 . 30 1 1 X 10 10 LEU CB C 10 43.090 43.895 -0.805 1
1 100 . 30 1 1 X 11 11 TYR HA H 11 4.450 4.415 0.035 1
1 107 . 30 1 1 X 11 11 TYR CA C 11 60.160 60.373 -0.213 1
1 108 . 30 1 1 X 11 11 TYR CB C 11 39.420 36.868 2.552 1
1 113 . 30 1 1 X 12 12 GLY H H 12 7.910 8.221 -0.311 1
1 114 . 30 1 1 X 12 12 GLY HA2 H 12 3.900 3.832 0.068 1
1 115 . 30 1 1 X 12 12 GLY HA3 H 12 3.900 3.836 0.064 1
1 116 . 30 1 1 X 12 12 GLY CA C 12 46.720 46.667 0.053 1
1 117 . 30 1 1 X 13 13 VAL H H 13 7.650 8.170 -0.520 1
1 118 . 30 1 1 X 13 13 VAL HA H 13 4.330 3.811 0.519 1
1 126 . 30 1 1 X 13 13 VAL CA C 13 62.930 65.737 -2.807 1
1 127 . 30 1 1 X 13 13 VAL CB C 13 33.510 31.481 2.029 1
1 130 . 30 1 1 X 14 14 TRP H H 14 7.780 8.467 -0.687 1
1 131 . 30 1 1 X 14 14 TRP HA H 14 4.800 4.438 0.362 1
1 140 . 30 1 1 X 14 14 TRP CB C 14 29.030 27.874 1.156 1
1 146 . 30 1 1 X 15 15 PRO HA H 15 4.190 4.002 0.188 1
1 153 . 30 1 1 X 15 15 PRO CA C 15 66.860 65.439 1.421 1
1 154 . 30 1 1 X 15 15 PRO CB C 15 31.920 30.906 1.014 1
1 157 . 30 1 1 X 16 16 LEU H H 16 7.110 7.617 -0.507 1
1 158 . 30 1 1 X 16 16 LEU HA H 16 4.180 3.962 0.218 1
1 167 . 30 1 1 X 16 16 LEU CA C 16 58.170 57.753 0.417 1
1 168 . 30 1 1 X 16 16 LEU CB C 16 42.760 41.860 0.900 1
1 169 . 30 1 1 X 17 17 LEU H H 17 7.700 7.881 -0.181 1
1 170 . 30 1 1 X 17 17 LEU HA H 17 4.030 4.042 -0.012 1
1 179 . 30 1 1 X 17 17 LEU CA C 17 59.060 57.842 1.218 1
1 180 . 30 1 1 X 18 18 LEU H H 18 7.790 7.622 0.168 1
1 181 . 30 1 1 X 18 18 LEU HA H 18 4.010 3.819 0.191 1
1 191 . 30 1 1 X 18 18 LEU CA C 18 58.910 57.910 1.000 1
1 192 . 30 1 1 X 18 18 LEU CB C 18 42.500 41.222 1.278 1
1 194 . 30 1 1 X 19 19 LEU H H 19 7.440 8.323 -0.883 1
1 195 . 30 1 1 X 19 19 LEU HA H 19 4.140 4.012 0.128 1
1 204 . 30 1 1 X 19 19 LEU CA C 19 58.860 57.775 1.085 1
1 205 . 30 1 1 X 19 19 LEU CB C 19 42.790 41.614 1.176 1
1 206 . 30 1 1 X 20 20 LEU H H 20 8.070 8.442 -0.372 1
1 207 . 30 1 1 X 20 20 LEU HA H 20 4.120 3.980 0.140 1
1 216 . 30 1 1 X 20 20 LEU CA C 20 58.590 58.085 0.505 1
1 217 . 30 1 1 X 20 20 LEU CB C 20 42.780 41.602 1.178 1
1 218 . 30 1 1 X 21 21 LEU H H 21 8.100 8.464 -0.364 1
1 219 . 30 1 1 X 21 21 LEU HA H 21 4.260 3.949 0.311 1
1 228 . 30 1 1 X 21 21 LEU CA C 21 57.160 57.601 -0.441 1
1 229 . 30 1 1 X 21 21 LEU CB C 21 43.230 41.374 1.856 1
1 230 . 30 1 1 X 22 22 ALA H H 22 7.790 7.514 0.276 1
1 231 . 30 1 1 X 22 22 ALA HA H 22 4.360 4.317 0.043 1
1 235 . 30 1 1 X 22 22 ALA CA C 22 53.810 52.022 1.788 1
1 236 . 30 1 1 X 22 22 ALA CB C 22 19.990 18.892 1.098 1
1 237 . 30 1 1 X 23 23 LEU H H 23 7.620 7.253 0.367 1
1 238 . 30 1 1 X 23 23 LEU HA H 23 4.610 4.802 -0.192 1
1 248 . 30 1 1 X 23 23 LEU CA C 23 54.620 51.941 2.679 1
1 249 . 30 1 1 X 23 23 LEU CB C 23 42.710 42.497 0.213 1
1 251 . 30 1 1 X 24 24 PRO HA H 24 4.710 4.651 0.059 1
1 258 . 30 1 1 X 24 24 PRO CB C 24 31.470 31.870 -0.400 1
1 260 . 30 1 1 X 25 25 PRO HA H 25 4.360 4.586 -0.226 1
1 267 . 30 1 1 X 25 25 PRO CA C 25 64.800 62.554 2.246 1
1 268 . 30 1 1 X 25 25 PRO CB C 25 32.510 32.477 0.033 1
1 270 . 30 1 1 X 26 26 ARG H H 26 7.830 8.680 -0.850 1
1 271 . 30 1 1 X 26 26 ARG HA H 26 4.260 4.404 -0.144 1
1 279 . 30 1 1 X 26 26 ARG CA C 26 57.270 55.525 1.745 1
1 280 . 30 1 1 X 26 26 ARG CB C 26 31.630 29.688 1.942 1
1 283 . 30 1 1 X 27 27 ALA H H 27 8.030 8.032 -0.002 1
1 284 . 30 1 1 X 27 27 ALA HA H 27 4.270 4.502 -0.232 1
1 288 . 30 1 1 X 27 27 ALA CA C 27 53.880 52.046 1.834 1
1 289 . 30 1 1 X 27 27 ALA CB C 27 19.920 20.091 -0.171 1
1 290 . 30 1 1 X 28 28 TYR H H 28 7.580 7.475 0.105 1
1 291 . 30 1 1 X 28 28 TYR HA H 28 4.620 4.755 -0.135 1
1 298 . 30 1 1 X 28 28 TYR CA C 28 58.240 57.570 0.670 1
1 299 . 30 1 1 X 28 28 TYR CB C 28 39.910 40.406 -0.496 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 25 1.564 1
3 1 1 1 "RMS(OBS, PRED)" CB 24 1.529 1
4 1 1 1 "RMS(OBS, PRED)" H 22 0.449 1
5 1 1 1 "RMS(OBS, PRED)" HA 29 0.229 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 25 1.709 1
9 1 2 1 "RMS(OBS, PRED)" CB 24 1.224 1
10 1 2 1 "RMS(OBS, PRED)" H 22 0.526 1
11 1 2 1 "RMS(OBS, PRED)" HA 29 0.239 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 25 1.448 1
15 1 3 1 "RMS(OBS, PRED)" CB 24 1.282 1
16 1 3 1 "RMS(OBS, PRED)" H 22 0.480 1
17 1 3 1 "RMS(OBS, PRED)" HA 29 0.222 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 25 1.484 1
21 1 4 1 "RMS(OBS, PRED)" CB 24 1.240 1
22 1 4 1 "RMS(OBS, PRED)" H 22 0.526 1
23 1 4 1 "RMS(OBS, PRED)" HA 29 0.274 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 25 1.604 1
27 1 5 1 "RMS(OBS, PRED)" CB 24 1.228 1
28 1 5 1 "RMS(OBS, PRED)" H 22 0.476 1
29 1 5 1 "RMS(OBS, PRED)" HA 29 0.236 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 25 1.376 1
33 1 6 1 "RMS(OBS, PRED)" CB 24 1.367 1
34 1 6 1 "RMS(OBS, PRED)" H 22 0.503 1
35 1 6 1 "RMS(OBS, PRED)" HA 29 0.211 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 25 1.544 1
39 1 7 1 "RMS(OBS, PRED)" CB 24 1.583 1
40 1 7 1 "RMS(OBS, PRED)" H 22 0.490 1
41 1 7 1 "RMS(OBS, PRED)" HA 29 0.212 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 25 1.864 1
45 1 8 1 "RMS(OBS, PRED)" CB 24 1.406 1
46 1 8 1 "RMS(OBS, PRED)" H 22 0.505 1
47 1 8 1 "RMS(OBS, PRED)" HA 29 0.277 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 25 1.439 1
51 1 9 1 "RMS(OBS, PRED)" CB 24 1.477 1
52 1 9 1 "RMS(OBS, PRED)" H 22 0.573 1
53 1 9 1 "RMS(OBS, PRED)" HA 29 0.205 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 25 1.453 1
57 1 10 1 "RMS(OBS, PRED)" CB 24 1.527 1
58 1 10 1 "RMS(OBS, PRED)" H 22 0.439 1
59 1 10 1 "RMS(OBS, PRED)" HA 29 0.249 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 25 1.691 1
63 1 11 1 "RMS(OBS, PRED)" CB 24 1.194 1
64 1 11 1 "RMS(OBS, PRED)" H 22 0.374 1
65 1 11 1 "RMS(OBS, PRED)" HA 29 0.228 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 25 1.663 1
69 1 12 1 "RMS(OBS, PRED)" CB 24 1.580 1
70 1 12 1 "RMS(OBS, PRED)" H 22 0.527 1
71 1 12 1 "RMS(OBS, PRED)" HA 29 0.246 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 25 1.710 1
75 1 13 1 "RMS(OBS, PRED)" CB 24 1.699 1
76 1 13 1 "RMS(OBS, PRED)" H 22 0.431 1
77 1 13 1 "RMS(OBS, PRED)" HA 29 0.306 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 25 1.484 1
81 1 14 1 "RMS(OBS, PRED)" CB 24 1.458 1
82 1 14 1 "RMS(OBS, PRED)" H 22 0.398 1
83 1 14 1 "RMS(OBS, PRED)" HA 29 0.248 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 25 1.627 1
87 1 15 1 "RMS(OBS, PRED)" CB 24 1.577 1
88 1 15 1 "RMS(OBS, PRED)" H 22 0.479 1
89 1 15 1 "RMS(OBS, PRED)" HA 29 0.227 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 25 1.636 1
93 1 16 1 "RMS(OBS, PRED)" CB 24 1.388 1
94 1 16 1 "RMS(OBS, PRED)" H 22 0.534 1
95 1 16 1 "RMS(OBS, PRED)" HA 29 0.242 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 25 1.598 1
99 1 17 1 "RMS(OBS, PRED)" CB 24 1.394 1
100 1 17 1 "RMS(OBS, PRED)" H 22 0.469 1
101 1 17 1 "RMS(OBS, PRED)" HA 29 0.252 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 25 1.519 1
105 1 18 1 "RMS(OBS, PRED)" CB 24 1.325 1
106 1 18 1 "RMS(OBS, PRED)" H 22 0.552 1
107 1 18 1 "RMS(OBS, PRED)" HA 29 0.210 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 25 1.426 1
111 1 19 1 "RMS(OBS, PRED)" CB 24 1.316 1
112 1 19 1 "RMS(OBS, PRED)" H 22 0.504 1
113 1 19 1 "RMS(OBS, PRED)" HA 29 0.204 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 25 1.619 1
117 1 20 1 "RMS(OBS, PRED)" CB 24 1.435 1
118 1 20 1 "RMS(OBS, PRED)" H 22 0.544 1
119 1 20 1 "RMS(OBS, PRED)" HA 29 0.209 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 25 1.626 1
123 1 21 1 "RMS(OBS, PRED)" CB 24 1.561 1
124 1 21 1 "RMS(OBS, PRED)" H 22 0.551 1
125 1 21 1 "RMS(OBS, PRED)" HA 29 0.414 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 25 1.537 1
129 1 22 1 "RMS(OBS, PRED)" CB 24 1.167 1
130 1 22 1 "RMS(OBS, PRED)" H 22 0.562 1
131 1 22 1 "RMS(OBS, PRED)" HA 29 0.237 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 25 1.424 1
135 1 23 1 "RMS(OBS, PRED)" CB 24 1.498 1
136 1 23 1 "RMS(OBS, PRED)" H 22 0.523 1
137 1 23 1 "RMS(OBS, PRED)" HA 29 0.227 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 25 1.659 1
141 1 24 1 "RMS(OBS, PRED)" CB 24 1.470 1
142 1 24 1 "RMS(OBS, PRED)" H 22 0.470 1
143 1 24 1 "RMS(OBS, PRED)" HA 29 0.202 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 25 1.657 1
147 1 25 1 "RMS(OBS, PRED)" CB 24 1.400 1
148 1 25 1 "RMS(OBS, PRED)" H 22 0.603 1
149 1 25 1 "RMS(OBS, PRED)" HA 29 0.433 1
150 1 25 1 "RMS(OBS, PRED)" N 0 0.000 1
151 1 26 1 "RMS(OBS, PRED)" C 0 0.000 1
152 1 26 1 "RMS(OBS, PRED)" CA 25 1.600 1
153 1 26 1 "RMS(OBS, PRED)" CB 24 1.307 1
154 1 26 1 "RMS(OBS, PRED)" H 22 0.511 1
155 1 26 1 "RMS(OBS, PRED)" HA 29 0.290 1
156 1 26 1 "RMS(OBS, PRED)" N 0 0.000 1
157 1 27 1 "RMS(OBS, PRED)" C 0 0.000 1
158 1 27 1 "RMS(OBS, PRED)" CA 25 1.523 1
159 1 27 1 "RMS(OBS, PRED)" CB 24 1.306 1
160 1 27 1 "RMS(OBS, PRED)" H 22 0.503 1
161 1 27 1 "RMS(OBS, PRED)" HA 29 0.188 1
162 1 27 1 "RMS(OBS, PRED)" N 0 0.000 1
163 1 28 1 "RMS(OBS, PRED)" C 0 0.000 1
164 1 28 1 "RMS(OBS, PRED)" CA 25 1.630 1
165 1 28 1 "RMS(OBS, PRED)" CB 24 1.137 1
166 1 28 1 "RMS(OBS, PRED)" H 22 0.503 1
167 1 28 1 "RMS(OBS, PRED)" HA 29 0.264 1
168 1 28 1 "RMS(OBS, PRED)" N 0 0.000 1
169 1 29 1 "RMS(OBS, PRED)" C 0 0.000 1
170 1 29 1 "RMS(OBS, PRED)" CA 25 1.543 1
171 1 29 1 "RMS(OBS, PRED)" CB 24 1.507 1
172 1 29 1 "RMS(OBS, PRED)" H 22 0.487 1
173 1 29 1 "RMS(OBS, PRED)" HA 29 0.234 1
174 1 29 1 "RMS(OBS, PRED)" N 0 0.000 1
175 1 30 1 "RMS(OBS, PRED)" C 0 0.000 1
176 1 30 1 "RMS(OBS, PRED)" CA 25 1.521 1
177 1 30 1 "RMS(OBS, PRED)" CB 24 1.415 1
178 1 30 1 "RMS(OBS, PRED)" H 22 0.485 1
179 1 30 1 "RMS(OBS, PRED)" HA 29 0.219 1
180 1 30 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 13 . 1 1 X 2 2 LEU H H 2 8.470 8.520 -0.050 2
1 14 . 1 1 X 2 2 LEU HA H 2 4.500 4.573 -0.073 2
1 23 . 1 1 X 2 2 LEU CA C 2 56.340 54.455 1.885 2
1 24 . 1 1 X 2 2 LEU CB C 2 43.690 43.151 0.539 2
1 25 . 1 1 X 3 3 VAL H H 3 7.780 8.321 -0.541 2
1 26 . 1 1 X 3 3 VAL HA H 3 4.550 4.607 -0.057 2
1 34 . 1 1 X 3 3 VAL CA C 3 60.380 59.300 1.080 2
1 35 . 1 1 X 3 3 VAL CB C 3 33.980 33.694 0.286 2
1 38 . 1 1 X 4 4 PRO HA H 4 4.370 4.347 0.023 2
1 45 . 1 1 X 4 4 PRO CA C 4 64.800 63.043 1.757 2
1 46 . 1 1 X 4 4 PRO CB C 4 32.660 31.362 1.298 2
1 49 . 1 1 X 5 5 GLY H H 5 8.150 8.522 -0.372 2
1 50 . 1 1 X 5 5 GLY HA2 H 5 4.030 3.911 0.119 2
1 51 . 1 1 X 5 5 GLY HA3 H 5 3.900 3.969 -0.069 2
1 52 . 1 1 X 5 5 GLY CA C 5 46.820 46.096 0.724 2
1 53 . 1 1 X 6 6 ALA H H 6 7.850 8.173 -0.323 2
1 54 . 1 1 X 6 6 ALA HA H 6 4.240 4.084 0.156 2
1 58 . 1 1 X 6 6 ALA CA C 6 54.770 54.437 0.333 2
1 59 . 1 1 X 6 6 ALA CB C 6 19.380 18.376 1.004 2
1 60 . 1 1 X 7 7 ALA H H 7 7.920 7.881 0.039 2
1 61 . 1 1 X 7 7 ALA HA H 7 4.140 4.484 -0.344 2
1 65 . 1 1 X 7 7 ALA CA C 7 55.100 52.462 2.638 2
1 66 . 1 1 X 7 7 ALA CB C 7 18.850 18.723 0.127 2
1 67 . 1 1 X 8 8 TYR H H 8 7.580 8.048 -0.468 2
1 68 . 1 1 X 8 8 TYR HA H 8 4.370 4.513 -0.143 2
1 75 . 1 1 X 8 8 TYR CA C 8 60.430 60.425 0.005 2
1 76 . 1 1 X 8 8 TYR CB C 8 39.010 39.132 -0.122 2
1 81 . 1 1 X 9 9 ALA H H 9 7.730 8.164 -0.434 2
1 82 . 1 1 X 9 9 ALA HA H 9 4.210 4.205 0.005 2
1 86 . 1 1 X 9 9 ALA CA C 9 55.020 54.758 0.262 2
1 87 . 1 1 X 9 9 ALA CB C 9 19.180 18.171 1.009 2
1 88 . 1 1 X 10 10 LEU H H 10 7.760 8.151 -0.391 2
1 89 . 1 1 X 10 10 LEU HA H 10 4.240 4.215 0.025 2
1 98 . 1 1 X 10 10 LEU CA C 10 57.200 57.654 -0.454 2
1 99 . 1 1 X 10 10 LEU CB C 10 43.090 42.380 0.710 2
1 100 . 1 1 X 11 11 TYR HA H 11 4.450 4.463 -0.013 2
1 107 . 1 1 X 11 11 TYR CA C 11 60.160 60.892 -0.732 2
1 108 . 1 1 X 11 11 TYR CB C 11 39.420 37.185 2.235 2
1 113 . 1 1 X 12 12 GLY H H 12 7.910 8.129 -0.219 2
1 114 . 1 1 X 12 12 GLY HA2 H 12 3.900 3.864 0.036 2
1 115 . 1 1 X 12 12 GLY HA3 H 12 3.900 3.874 0.026 2
1 116 . 1 1 X 12 12 GLY CA C 12 46.720 46.582 0.138 2
1 117 . 1 1 X 13 13 VAL H H 13 7.650 7.855 -0.205 2
1 118 . 1 1 X 13 13 VAL HA H 13 4.330 4.098 0.232 2
1 126 . 1 1 X 13 13 VAL CA C 13 62.930 64.127 -1.197 2
1 127 . 1 1 X 13 13 VAL CB C 13 33.510 32.073 1.437 2
1 130 . 1 1 X 14 14 TRP H H 14 7.780 8.028 -0.248 2
1 131 . 1 1 X 14 14 TRP HA H 14 4.800 4.416 0.384 2
1 140 . 1 1 X 14 14 TRP CB C 14 29.030 27.937 1.093 2
1 146 . 1 1 X 15 15 PRO HA H 15 4.190 4.084 0.106 2
1 153 . 1 1 X 15 15 PRO CA C 15 66.860 65.527 1.333 2
1 154 . 1 1 X 15 15 PRO CB C 15 31.920 30.868 1.052 2
1 157 . 1 1 X 16 16 LEU H H 16 7.110 7.634 -0.524 2
1 158 . 1 1 X 16 16 LEU HA H 16 4.180 3.977 0.203 2
1 167 . 1 1 X 16 16 LEU CA C 16 58.170 57.606 0.564 2
1 168 . 1 1 X 16 16 LEU CB C 16 42.760 41.881 0.879 2
1 169 . 1 1 X 17 17 LEU H H 17 7.700 8.033 -0.333 2
1 170 . 1 1 X 17 17 LEU HA H 17 4.030 3.976 0.054 2
1 179 . 1 1 X 17 17 LEU CA C 17 59.060 57.958 1.102 2
1 180 . 1 1 X 18 18 LEU H H 18 7.790 7.767 0.023 2
1 181 . 1 1 X 18 18 LEU HA H 18 4.010 3.814 0.196 2
1 191 . 1 1 X 18 18 LEU CA C 18 58.910 57.836 1.074 2
1 192 . 1 1 X 18 18 LEU CB C 18 42.500 41.197 1.303 2
1 194 . 1 1 X 19 19 LEU H H 19 7.440 8.312 -0.872 2
1 195 . 1 1 X 19 19 LEU HA H 19 4.140 3.971 0.169 2
1 204 . 1 1 X 19 19 LEU CA C 19 58.860 57.829 1.031 2
1 205 . 1 1 X 19 19 LEU CB C 19 42.790 41.500 1.290 2
1 206 . 1 1 X 20 20 LEU H H 20 8.070 8.325 -0.255 2
1 207 . 1 1 X 20 20 LEU HA H 20 4.120 4.007 0.113 2
1 216 . 1 1 X 20 20 LEU CA C 20 58.590 57.903 0.687 2
1 217 . 1 1 X 20 20 LEU CB C 20 42.780 41.441 1.339 2
1 218 . 1 1 X 21 21 LEU H H 21 8.100 8.274 -0.174 2
1 219 . 1 1 X 21 21 LEU HA H 21 4.260 3.969 0.291 2
1 228 . 1 1 X 21 21 LEU CA C 21 57.160 57.799 -0.639 2
1 229 . 1 1 X 21 21 LEU CB C 21 43.230 41.464 1.766 2
1 230 . 1 1 X 22 22 ALA H H 22 7.790 7.413 0.377 2
1 231 . 1 1 X 22 22 ALA HA H 22 4.360 4.400 -0.040 2
1 235 . 1 1 X 22 22 ALA CA C 22 53.810 51.581 2.229 2
1 236 . 1 1 X 22 22 ALA CB C 22 19.990 19.143 0.846 2
1 237 . 1 1 X 23 23 LEU H H 23 7.620 7.178 0.442 2
1 238 . 1 1 X 23 23 LEU HA H 23 4.610 4.739 -0.129 2
1 248 . 1 1 X 23 23 LEU CA C 23 54.620 52.191 2.429 2
1 249 . 1 1 X 23 23 LEU CB C 23 42.710 43.282 -0.572 2
1 251 . 1 1 X 24 24 PRO HA H 24 4.710 4.658 0.052 2
1 258 . 1 1 X 24 24 PRO CB C 24 31.470 32.013 -0.543 2
1 260 . 1 1 X 25 25 PRO HA H 25 4.360 4.588 -0.228 2
1 267 . 1 1 X 25 25 PRO CA C 25 64.800 62.770 2.030 2
1 268 . 1 1 X 25 25 PRO CB C 25 32.510 32.919 -0.409 2
1 270 . 1 1 X 26 26 ARG H H 26 7.830 8.747 -0.917 2
1 271 . 1 1 X 26 26 ARG HA H 26 4.260 4.326 -0.066 2
1 279 . 1 1 X 26 26 ARG CA C 26 57.270 57.301 -0.031 2
1 280 . 1 1 X 26 26 ARG CB C 26 31.630 31.014 0.616 2
1 283 . 1 1 X 27 27 ALA H H 27 8.030 7.901 0.129 2
1 284 . 1 1 X 27 27 ALA HA H 27 4.270 4.403 -0.133 2
1 288 . 1 1 X 27 27 ALA CA C 27 53.880 51.781 2.099 2
1 289 . 1 1 X 27 27 ALA CB C 27 19.920 18.745 1.175 2
1 290 . 1 1 X 28 28 TYR H H 28 7.580 8.036 -0.456 2
1 291 . 1 1 X 28 28 TYR HA H 28 4.620 4.611 0.010 2
1 298 . 1 1 X 28 28 TYR CA C 28 58.240 58.727 -0.487 2
1 299 . 1 1 X 28 28 TYR CB C 28 39.910 39.287 0.623 2
stop_
save_