data_15504_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15504 _Entry.PDB_ID 2JW1 _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 15 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 1 A 2 2 SER HA H 29 4.540 4.671 -0.131 1 1 4 . 1 1 1 A 2 2 SER C C 29 174.370 173.349 1.021 1 1 5 . 1 1 1 A 2 2 SER CA C 29 58.380 57.684 0.696 1 1 6 . 1 1 1 A 2 2 SER CB C 29 63.670 61.384 2.286 1 1 7 . 1 1 1 A 3 3 SER H H 30 8.530 7.996 0.534 1 1 8 . 1 1 1 A 3 3 SER HA H 30 4.480 4.964 -0.484 1 1 11 . 1 1 1 A 3 3 SER C C 30 174.610 172.583 2.027 1 1 12 . 1 1 1 A 3 3 SER CA C 30 58.380 57.208 1.172 1 1 13 . 1 1 1 A 3 3 SER CB C 30 63.690 63.229 0.461 1 1 14 . 1 1 1 A 3 3 SER N N 30 117.760 116.126 1.634 1 1 15 . 1 1 1 A 4 4 ASN H H 31 8.600 8.693 -0.093 1 1 16 . 1 1 1 A 4 4 ASN HA H 31 4.710 5.207 -0.497 1 1 21 . 1 1 1 A 4 4 ASN C C 31 175.840 173.686 2.154 1 1 22 . 1 1 1 A 4 4 ASN CA C 31 53.880 53.323 0.557 1 1 23 . 1 1 1 A 4 4 ASN CB C 31 38.520 40.178 -1.658 1 1 24 . 1 1 1 A 4 4 ASN N N 31 120.910 123.694 -2.784 1 1 26 . 1 1 1 A 5 5 SER H H 32 8.360 8.932 -0.572 1 1 27 . 1 1 1 A 5 5 SER HA H 32 4.420 4.752 -0.332 1 1 30 . 1 1 1 A 5 5 SER C C 32 174.700 173.212 1.488 1 1 31 . 1 1 1 A 5 5 SER CA C 32 59.310 56.061 3.249 1 1 32 . 1 1 1 A 5 5 SER CB C 32 63.410 65.107 -1.697 1 1 33 . 1 1 1 A 5 5 SER N N 32 115.920 121.797 -5.877 1 1 34 . 1 1 1 A 6 6 GLU H H 33 8.370 8.795 -0.425 1 1 35 . 1 1 1 A 6 6 GLU HA H 33 4.530 3.829 0.701 1 1 40 . 1 1 1 A 6 6 GLU C C 33 176.390 175.238 1.152 1 1 41 . 1 1 1 A 6 6 GLU CA C 33 56.510 57.300 -0.790 1 1 42 . 1 1 1 A 6 6 GLU CB C 33 29.850 27.875 1.975 1 1 44 . 1 1 1 A 6 6 GLU N N 33 121.670 119.843 1.827 1 1 45 . 1 1 1 A 7 7 LYS H H 34 8.120 7.545 0.575 1 1 46 . 1 1 1 A 7 7 LYS HA H 34 4.370 4.314 0.056 1 1 55 . 1 1 1 A 7 7 LYS C C 34 176.060 174.967 1.093 1 1 56 . 1 1 1 A 7 7 LYS CA C 34 56.140 54.701 1.439 1 1 57 . 1 1 1 A 7 7 LYS CB C 34 33.200 32.827 0.373 1 1 61 . 1 1 1 A 7 7 LYS N N 34 121.020 118.738 2.282 1 1 62 . 1 1 1 A 8 8 GLU H H 35 8.550 8.518 0.032 1 1 63 . 1 1 1 A 8 8 GLU HA H 35 4.830 4.238 0.592 1 1 68 . 1 1 1 A 8 8 GLU C C 35 175.050 175.699 -0.649 1 1 69 . 1 1 1 A 8 8 GLU CA C 35 56.390 55.900 0.490 1 1 70 . 1 1 1 A 8 8 GLU CB C 35 31.340 29.955 1.385 1 1 72 . 1 1 1 A 8 8 GLU N N 35 122.450 124.383 -1.933 1 1 73 . 1 1 1 A 9 9 TRP H H 36 9.680 8.695 0.985 1 1 74 . 1 1 1 A 9 9 TRP HA H 36 4.860 5.092 -0.232 1 1 80 . 1 1 1 A 9 9 TRP C C 36 175.390 175.795 -0.405 1 1 81 . 1 1 1 A 9 9 TRP CA C 36 55.890 56.344 -0.454 1 1 82 . 1 1 1 A 9 9 TRP CB C 36 30.810 29.551 1.259 1 1 85 . 1 1 1 A 9 9 TRP N N 36 122.800 126.901 -4.101 1 1 87 . 1 1 1 A 10 10 HIS H H 37 9.690 9.003 0.687 1 1 88 . 1 1 1 A 10 10 HIS HA H 37 4.990 4.779 0.211 1 1 93 . 1 1 1 A 10 10 HIS C C 37 174.840 174.935 -0.095 1 1 94 . 1 1 1 A 10 10 HIS CA C 37 54.720 56.373 -1.653 1 1 95 . 1 1 1 A 10 10 HIS CB C 37 29.840 29.725 0.115 1 1 98 . 1 1 1 A 10 10 HIS N N 37 120.400 123.864 -3.464 1 1 99 . 1 1 1 A 11 11 ILE H H 38 7.740 8.418 -0.678 1 1 100 . 1 1 1 A 11 11 ILE HA H 38 4.360 4.553 -0.193 1 1 110 . 1 1 1 A 11 11 ILE C C 38 175.030 175.640 -0.610 1 1 111 . 1 1 1 A 11 11 ILE CA C 38 62.110 62.318 -0.208 1 1 112 . 1 1 1 A 11 11 ILE CB C 38 37.590 38.039 -0.449 1 1 116 . 1 1 1 A 11 11 ILE N N 38 121.700 125.049 -3.349 1 1 117 . 1 1 1 A 12 12 VAL H H 39 9.370 8.514 0.856 1 1 118 . 1 1 1 A 12 12 VAL HA H 39 4.690 4.454 0.236 1 1 126 . 1 1 1 A 12 12 VAL CA C 39 58.500 58.594 -0.094 1 1 127 . 1 1 1 A 12 12 VAL CB C 39 34.970 34.843 0.127 1 1 130 . 1 1 1 A 12 12 VAL N N 39 130.310 127.338 2.972 1 1 131 . 1 1 1 A 13 13 PRO HA H 40 4.470 4.848 -0.378 1 1 138 . 1 1 1 A 13 13 PRO C C 40 175.070 176.266 -1.196 1 1 139 . 1 1 1 A 13 13 PRO CA C 40 63.130 62.217 0.913 1 1 140 . 1 1 1 A 13 13 PRO CB C 40 33.580 32.104 1.476 1 1 143 . 1 1 1 A 14 14 VAL H H 41 7.970 8.954 -0.984 1 1 144 . 1 1 1 A 14 14 VAL HA H 41 4.170 4.165 0.005 1 1 152 . 1 1 1 A 14 14 VAL C C 41 175.360 176.327 -0.967 1 1 153 . 1 1 1 A 14 14 VAL CA C 41 63.600 63.614 -0.014 1 1 154 . 1 1 1 A 14 14 VAL CB C 41 34.050 32.679 1.371 1 1 157 . 1 1 1 A 14 14 VAL N N 41 119.000 118.405 0.595 1 1 158 . 1 1 1 A 15 15 SER H H 42 8.040 7.634 0.406 1 1 159 . 1 1 1 A 15 15 SER HA H 42 4.530 4.647 -0.117 1 1 162 . 1 1 1 A 15 15 SER C C 42 176.240 175.525 0.715 1 1 163 . 1 1 1 A 15 15 SER CA C 42 57.620 57.739 -0.119 1 1 164 . 1 1 1 A 15 15 SER CB C 42 64.250 64.387 -0.137 1 1 165 . 1 1 1 A 15 15 SER N N 42 113.900 115.817 -1.917 1 1 166 . 1 1 1 A 16 16 LYS H H 43 8.690 9.027 -0.337 1 1 167 . 1 1 1 A 16 16 LYS HA H 43 2.830 3.196 -0.366 1 1 176 . 1 1 1 A 16 16 LYS C C 43 177.790 178.265 -0.475 1 1 177 . 1 1 1 A 16 16 LYS CA C 43 58.100 58.717 -0.617 1 1 178 . 1 1 1 A 16 16 LYS CB C 43 31.840 31.526 0.314 1 1 182 . 1 1 1 A 16 16 LYS N N 43 124.940 127.623 -2.683 1 1 183 . 1 1 1 A 17 17 ASP H H 44 8.590 7.942 0.648 1 1 184 . 1 1 1 A 17 17 ASP HA H 44 4.100 4.358 -0.258 1 1 187 . 1 1 1 A 17 17 ASP C C 44 176.670 177.011 -0.341 1 1 188 . 1 1 1 A 17 17 ASP CA C 44 55.580 56.265 -0.685 1 1 189 . 1 1 1 A 17 17 ASP CB C 44 39.300 40.547 -1.247 1 1 190 . 1 1 1 A 17 17 ASP N N 44 118.140 119.274 -1.134 1 1 191 . 1 1 1 A 18 18 TYR H H 45 7.870 8.007 -0.137 1 1 192 . 1 1 1 A 18 18 TYR HA H 45 4.550 4.654 -0.104 1 1 199 . 1 1 1 A 18 18 TYR C C 45 174.860 176.748 -1.888 1 1 200 . 1 1 1 A 18 18 TYR CA C 45 58.510 58.075 0.435 1 1 201 . 1 1 1 A 18 18 TYR CB C 45 39.470 38.395 1.075 1 1 206 . 1 1 1 A 18 18 TYR N N 45 115.260 117.222 -1.962 1 1 207 . 1 1 1 A 19 19 PHE H H 46 7.430 7.736 -0.306 1 1 208 . 1 1 1 A 19 19 PHE HA H 46 4.360 4.424 -0.064 1 1 215 . 1 1 1 A 19 19 PHE C C 46 176.950 176.413 0.537 1 1 216 . 1 1 1 A 19 19 PHE CA C 46 59.340 60.794 -1.454 1 1 217 . 1 1 1 A 19 19 PHE CB C 46 37.870 38.063 -0.193 1 1 222 . 1 1 1 A 19 19 PHE N N 46 120.020 121.173 -1.153 1 1 223 . 1 1 1 A 20 20 SER H H 47 8.620 7.816 0.804 1 1 224 . 1 1 1 A 20 20 SER HA H 47 4.430 4.531 -0.101 1 1 227 . 1 1 1 A 20 20 SER C C 47 173.980 174.984 -1.004 1 1 228 . 1 1 1 A 20 20 SER CA C 47 58.660 58.566 0.094 1 1 229 . 1 1 1 A 20 20 SER CB C 47 62.850 64.013 -1.163 1 1 230 . 1 1 1 A 20 20 SER N N 47 111.500 111.901 -0.401 1 1 231 . 1 1 1 A 21 21 ILE H H 48 7.660 7.407 0.253 1 1 232 . 1 1 1 A 21 21 ILE HA H 48 4.110 4.190 -0.080 1 1 242 . 1 1 1 A 21 21 ILE CA C 48 59.780 60.696 -0.916 1 1 243 . 1 1 1 A 21 21 ILE CB C 48 38.330 37.941 0.389 1 1 247 . 1 1 1 A 21 21 ILE N N 48 119.380 126.251 -6.871 1 1 248 . 1 1 1 A 22 22 PRO HA H 49 4.500 4.535 -0.035 1 1 255 . 1 1 1 A 22 22 PRO C C 49 176.110 177.504 -1.394 1 1 256 . 1 1 1 A 22 22 PRO CA C 49 62.880 62.544 0.336 1 1 257 . 1 1 1 A 22 22 PRO CB C 49 32.570 33.276 -0.706 1 1 260 . 1 1 1 A 23 23 ASN H H 50 8.630 8.823 -0.193 1 1 261 . 1 1 1 A 23 23 ASN HA H 50 4.800 4.521 0.279 1 1 266 . 1 1 1 A 23 23 ASN C C 50 176.580 174.977 1.603 1 1 267 . 1 1 1 A 23 23 ASN CA C 50 53.610 56.166 -2.556 1 1 268 . 1 1 1 A 23 23 ASN CB C 50 38.490 38.848 -0.358 1 1 269 . 1 1 1 A 23 23 ASN N N 50 117.590 118.529 -0.939 1 1 271 . 1 1 1 A 24 24 ASP H H 51 8.580 7.849 0.731 1 1 272 . 1 1 1 A 24 24 ASP HA H 51 4.760 4.908 -0.148 1 1 275 . 1 1 1 A 24 24 ASP C C 51 175.090 173.958 1.132 1 1 276 . 1 1 1 A 24 24 ASP CA C 51 52.500 54.079 -1.579 1 1 277 . 1 1 1 A 24 24 ASP CB C 51 39.840 43.795 -3.955 1 1 278 . 1 1 1 A 24 24 ASP N N 51 120.490 117.705 2.785 1 1 279 . 1 1 1 A 25 25 LEU H H 52 8.400 8.979 -0.579 1 1 280 . 1 1 1 A 25 25 LEU HA H 52 4.390 5.022 -0.632 1 1 290 . 1 1 1 A 25 25 LEU C C 52 176.340 175.548 0.792 1 1 291 . 1 1 1 A 25 25 LEU CA C 52 55.460 53.708 1.752 1 1 292 . 1 1 1 A 25 25 LEU CB C 52 43.270 44.304 -1.034 1 1 296 . 1 1 1 A 25 25 LEU N N 52 119.530 126.933 -7.403 1 1 297 . 1 1 1 A 26 26 LEU H H 53 8.840 9.001 -0.161 1 1 298 . 1 1 1 A 26 26 LEU HA H 53 5.140 4.814 0.326 1 1 308 . 1 1 1 A 26 26 LEU C C 53 174.620 175.346 -0.726 1 1 309 . 1 1 1 A 26 26 LEU CA C 53 52.840 53.157 -0.317 1 1 310 . 1 1 1 A 26 26 LEU CB C 53 44.070 42.276 1.794 1 1 314 . 1 1 1 A 26 26 LEU N N 53 126.610 123.900 2.710 1 1 315 . 1 1 1 A 27 27 TRP H H 54 9.230 9.122 0.108 1 1 316 . 1 1 1 A 27 27 TRP HA H 54 5.570 5.196 0.374 1 1 325 . 1 1 1 A 27 27 TRP C C 54 175.740 175.005 0.735 1 1 326 . 1 1 1 A 27 27 TRP CA C 54 54.510 55.552 -1.042 1 1 327 . 1 1 1 A 27 27 TRP CB C 54 31.710 32.826 -1.116 1 1 333 . 1 1 1 A 27 27 TRP N N 54 122.650 128.043 -5.393 1 1 335 . 1 1 1 A 28 28 SER H H 55 9.240 8.718 0.522 1 1 336 . 1 1 1 A 28 28 SER HA H 55 5.490 4.925 0.565 1 1 339 . 1 1 1 A 28 28 SER C C 55 173.440 173.432 0.008 1 1 340 . 1 1 1 A 28 28 SER CA C 55 56.990 57.318 -0.328 1 1 341 . 1 1 1 A 28 28 SER CB C 55 66.150 65.437 0.713 1 1 342 . 1 1 1 A 28 28 SER N N 55 121.970 123.461 -1.491 1 1 343 . 1 1 1 A 29 29 PHE H H 56 9.590 9.186 0.404 1 1 344 . 1 1 1 A 29 29 PHE HA H 56 5.150 4.668 0.482 1 1 352 . 1 1 1 A 29 29 PHE C C 56 175.810 175.562 0.248 1 1 353 . 1 1 1 A 29 29 PHE CA C 56 57.180 59.170 -1.990 1 1 354 . 1 1 1 A 29 29 PHE CB C 56 42.370 39.397 2.973 1 1 360 . 1 1 1 A 29 29 PHE N N 56 121.420 125.855 -4.435 1 1 361 . 1 1 1 A 30 30 ASN H H 57 9.400 9.111 0.289 1 1 362 . 1 1 1 A 30 30 ASN HA H 57 5.220 5.326 -0.106 1 1 367 . 1 1 1 A 30 30 ASN C C 57 176.540 176.159 0.381 1 1 368 . 1 1 1 A 30 30 ASN CA C 57 52.320 52.050 0.270 1 1 369 . 1 1 1 A 30 30 ASN CB C 57 38.520 38.151 0.369 1 1 370 . 1 1 1 A 30 30 ASN N N 57 120.660 123.276 -2.616 1 1 372 . 1 1 1 A 31 31 THR H H 58 9.180 8.226 0.954 1 1 373 . 1 1 1 A 31 31 THR HA H 58 4.800 4.599 0.201 1 1 378 . 1 1 1 A 31 31 THR C C 58 176.950 176.369 0.581 1 1 379 . 1 1 1 A 31 31 THR CA C 58 63.430 63.676 -0.246 1 1 380 . 1 1 1 A 31 31 THR CB C 58 68.110 69.221 -1.111 1 1 382 . 1 1 1 A 31 31 THR N N 58 114.630 118.264 -3.634 1 1 383 . 1 1 1 A 32 32 THR H H 59 8.450 7.954 0.496 1 1 384 . 1 1 1 A 32 32 THR HA H 59 4.130 4.263 -0.133 1 1 389 . 1 1 1 A 32 32 THR C C 59 175.130 174.889 0.241 1 1 390 . 1 1 1 A 32 32 THR CA C 59 65.550 65.196 0.354 1 1 391 . 1 1 1 A 32 32 THR CB C 59 68.200 69.318 -1.118 1 1 393 . 1 1 1 A 32 32 THR N N 59 120.020 116.386 3.634 1 1 394 . 1 1 1 A 33 33 ASN H H 60 7.500 8.180 -0.680 1 1 395 . 1 1 1 A 33 33 ASN HA H 60 4.690 4.853 -0.163 1 1 400 . 1 1 1 A 33 33 ASN C C 60 174.230 174.969 -0.739 1 1 401 . 1 1 1 A 33 33 ASN CA C 60 51.650 52.239 -0.589 1 1 402 . 1 1 1 A 33 33 ASN CB C 60 37.870 38.912 -1.042 1 1 403 . 1 1 1 A 33 33 ASN N N 60 117.490 116.773 0.717 1 1 405 . 1 1 1 A 34 34 LYS H H 61 7.580 7.936 -0.356 1 1 406 . 1 1 1 A 34 34 LYS HA H 61 3.500 4.491 -0.991 1 1 415 . 1 1 1 A 34 34 LYS C C 61 172.880 174.660 -1.780 1 1 416 . 1 1 1 A 34 34 LYS CA C 61 57.160 57.083 0.077 1 1 417 . 1 1 1 A 34 34 LYS CB C 61 28.540 30.143 -1.603 1 1 421 . 1 1 1 A 34 34 LYS N N 61 118.030 117.681 0.349 1 1 422 . 1 1 1 A 35 35 SER H H 62 8.560 8.345 0.215 1 1 423 . 1 1 1 A 35 35 SER HA H 62 5.670 4.923 0.747 1 1 426 . 1 1 1 A 35 35 SER C C 62 173.510 172.845 0.665 1 1 427 . 1 1 1 A 35 35 SER CA C 62 56.110 57.605 -1.495 1 1 428 . 1 1 1 A 35 35 SER CB C 62 67.800 66.996 0.804 1 1 429 . 1 1 1 A 35 35 SER N N 62 109.720 113.037 -3.317 1 1 430 . 1 1 1 A 36 36 ILE H H 63 8.750 8.961 -0.211 1 1 431 . 1 1 1 A 36 36 ILE HA H 63 4.940 4.462 0.478 1 1 441 . 1 1 1 A 36 36 ILE C C 63 174.660 175.127 -0.467 1 1 442 . 1 1 1 A 36 36 ILE CA C 63 58.180 60.614 -2.434 1 1 443 . 1 1 1 A 36 36 ILE CB C 63 40.660 37.661 2.999 1 1 447 . 1 1 1 A 36 36 ILE N N 63 117.490 124.360 -6.870 1 1 448 . 1 1 1 A 37 37 ASN H H 64 8.400 8.688 -0.288 1 1 449 . 1 1 1 A 37 37 ASN HA H 64 5.650 5.793 -0.143 1 1 454 . 1 1 1 A 37 37 ASN C C 64 173.490 174.291 -0.801 1 1 455 . 1 1 1 A 37 37 ASN CA C 64 51.670 51.825 -0.155 1 1 456 . 1 1 1 A 37 37 ASN CB C 64 41.900 41.008 0.892 1 1 457 . 1 1 1 A 37 37 ASN N N 64 122.180 125.673 -3.493 1 1 459 . 1 1 1 A 38 38 VAL H H 65 8.900 9.129 -0.229 1 1 460 . 1 1 1 A 38 38 VAL HA H 65 5.540 4.864 0.676 1 1 468 . 1 1 1 A 38 38 VAL C C 65 174.590 175.009 -0.419 1 1 469 . 1 1 1 A 38 38 VAL CA C 65 60.060 61.084 -1.024 1 1 470 . 1 1 1 A 38 38 VAL CB C 65 34.870 34.042 0.828 1 1 473 . 1 1 1 A 38 38 VAL N N 65 122.060 124.552 -2.492 1 1 474 . 1 1 1 A 39 39 TYR H H 66 8.910 8.692 0.218 1 1 475 . 1 1 1 A 39 39 TYR HA H 66 5.490 6.000 -0.510 1 1 482 . 1 1 1 A 39 39 TYR C C 66 172.810 173.532 -0.722 1 1 483 . 1 1 1 A 39 39 TYR CA C 66 56.220 55.654 0.566 1 1 484 . 1 1 1 A 39 39 TYR CB C 66 40.620 42.509 -1.889 1 1 489 . 1 1 1 A 39 39 TYR N N 66 123.530 123.925 -0.395 1 1 490 . 1 1 1 A 40 40 SER H H 67 8.970 8.848 0.122 1 1 491 . 1 1 1 A 40 40 SER HA H 67 4.780 4.869 -0.089 1 1 495 . 1 1 1 A 40 40 SER C C 67 174.360 174.890 -0.530 1 1 496 . 1 1 1 A 40 40 SER CA C 67 56.580 56.962 -0.382 1 1 497 . 1 1 1 A 40 40 SER CB C 67 66.290 65.531 0.759 1 1 498 . 1 1 1 A 40 40 SER N N 67 115.210 114.957 0.253 1 1 499 . 1 1 1 A 41 41 LYS H H 68 9.020 8.694 0.326 1 1 500 . 1 1 1 A 41 41 LYS HA H 68 4.210 3.938 0.272 1 1 509 . 1 1 1 A 41 41 LYS C C 68 177.730 177.088 0.642 1 1 510 . 1 1 1 A 41 41 LYS CA C 68 59.240 59.384 -0.144 1 1 511 . 1 1 1 A 41 41 LYS CB C 68 31.660 32.004 -0.344 1 1 515 . 1 1 1 A 41 41 LYS N N 68 118.790 118.412 0.378 1 1 516 . 1 1 1 A 42 42 CYS H H 69 8.090 7.561 0.529 1 1 517 . 1 1 1 A 42 42 CYS HA H 69 4.750 4.776 -0.026 1 1 520 . 1 1 1 A 42 42 CYS C C 69 173.260 172.719 0.541 1 1 521 . 1 1 1 A 42 42 CYS CA C 69 52.780 55.937 -3.157 1 1 522 . 1 1 1 A 42 42 CYS CB C 69 39.470 44.103 -4.633 1 1 523 . 1 1 1 A 42 42 CYS N N 69 113.650 114.717 -1.067 1 1 524 . 1 1 1 A 43 43 ILE H H 70 7.550 7.619 -0.069 1 1 525 . 1 1 1 A 43 43 ILE HA H 70 5.210 5.118 0.092 1 1 535 . 1 1 1 A 43 43 ILE C C 70 171.870 173.838 -1.968 1 1 536 . 1 1 1 A 43 43 ILE CA C 70 59.800 59.739 0.061 1 1 537 . 1 1 1 A 43 43 ILE CB C 70 42.550 42.564 -0.014 1 1 541 . 1 1 1 A 43 43 ILE N N 70 118.580 122.265 -3.685 1 1 542 . 1 1 1 A 44 44 SER H H 71 8.190 9.086 -0.896 1 1 543 . 1 1 1 A 44 44 SER HA H 71 5.190 5.332 -0.142 1 1 546 . 1 1 1 A 44 44 SER C C 71 173.790 173.803 -0.013 1 1 547 . 1 1 1 A 44 44 SER CA C 71 56.980 57.613 -0.633 1 1 548 . 1 1 1 A 44 44 SER CB C 71 64.910 65.427 -0.517 1 1 549 . 1 1 1 A 44 44 SER N N 71 117.640 124.361 -6.721 1 1 550 . 1 1 1 A 45 45 GLY H H 72 9.720 9.233 0.487 1 1 551 . 1 1 1 A 45 45 GLY HA2 H 72 5.280 4.319 0.961 1 1 552 . 1 1 1 A 45 45 GLY HA3 H 72 3.460 4.324 -0.864 1 1 553 . 1 1 1 A 45 45 GLY C C 72 171.300 172.744 -1.444 1 1 554 . 1 1 1 A 45 45 GLY CA C 72 45.230 44.651 0.579 1 1 555 . 1 1 1 A 45 45 GLY N N 72 114.160 113.598 0.562 1 1 556 . 1 1 1 A 46 46 LYS H H 73 8.340 8.855 -0.515 1 1 557 . 1 1 1 A 46 46 LYS HA H 73 5.530 5.445 0.085 1 1 566 . 1 1 1 A 46 46 LYS C C 73 174.510 174.832 -0.322 1 1 567 . 1 1 1 A 46 46 LYS CA C 73 54.930 54.582 0.348 1 1 568 . 1 1 1 A 46 46 LYS CB C 73 36.420 35.493 0.927 1 1 572 . 1 1 1 A 46 46 LYS N N 73 123.520 121.846 1.674 1 1 573 . 1 1 1 A 47 47 ALA H H 74 8.440 8.310 0.130 1 1 574 . 1 1 1 A 47 47 ALA HA H 74 4.400 4.979 -0.579 1 1 578 . 1 1 1 A 47 47 ALA C C 74 175.850 175.288 0.562 1 1 579 . 1 1 1 A 47 47 ALA CA C 74 49.860 50.973 -1.113 1 1 580 . 1 1 1 A 47 47 ALA CB C 74 20.750 22.678 -1.928 1 1 581 . 1 1 1 A 47 47 ALA N N 74 125.710 120.613 5.097 1 1 582 . 1 1 1 A 48 48 VAL H H 75 7.840 8.080 -0.240 1 1 583 . 1 1 1 A 48 48 VAL HA H 75 4.640 4.413 0.227 1 1 591 . 1 1 1 A 48 48 VAL C C 75 176.660 174.685 1.975 1 1 592 . 1 1 1 A 48 48 VAL CA C 75 61.160 61.209 -0.049 1 1 593 . 1 1 1 A 48 48 VAL CB C 75 32.180 33.519 -1.339 1 1 596 . 1 1 1 A 48 48 VAL N N 75 120.660 118.678 1.982 1 1 597 . 1 1 1 A 49 49 TYR H H 76 8.340 8.414 -0.074 1 1 598 . 1 1 1 A 49 49 TYR HA H 76 5.230 5.799 -0.569 1 1 605 . 1 1 1 A 49 49 TYR C C 76 173.480 174.537 -1.057 1 1 606 . 1 1 1 A 49 49 TYR CA C 76 54.940 55.282 -0.342 1 1 607 . 1 1 1 A 49 49 TYR CB C 76 42.030 41.056 0.974 1 1 612 . 1 1 1 A 49 49 TYR N N 76 126.510 124.987 1.523 1 1 613 . 1 1 1 A 50 50 SER H H 77 8.360 8.134 0.226 1 1 614 . 1 1 1 A 50 50 SER HA H 77 4.560 5.416 -0.856 1 1 617 . 1 1 1 A 50 50 SER C C 77 171.180 172.695 -1.515 1 1 618 . 1 1 1 A 50 50 SER CA C 77 56.890 57.016 -0.126 1 1 619 . 1 1 1 A 50 50 SER CB C 77 65.650 66.495 -0.845 1 1 620 . 1 1 1 A 50 50 SER N N 77 111.300 117.540 -6.240 1 1 621 . 1 1 1 A 51 51 PHE H H 78 8.660 8.795 -0.135 1 1 622 . 1 1 1 A 51 51 PHE HA H 78 5.860 5.705 0.155 1 1 630 . 1 1 1 A 51 51 PHE C C 78 176.800 174.627 2.173 1 1 631 . 1 1 1 A 51 51 PHE CA C 78 56.090 56.281 -0.191 1 1 632 . 1 1 1 A 51 51 PHE CB C 78 42.280 42.589 -0.309 1 1 638 . 1 1 1 A 51 51 PHE N N 78 116.710 120.048 -3.338 1 1 639 . 1 1 1 A 52 52 ASN H H 79 9.190 9.139 0.051 1 1 640 . 1 1 1 A 52 52 ASN HA H 79 4.900 5.188 -0.288 1 1 645 . 1 1 1 A 52 52 ASN C C 79 174.870 174.495 0.375 1 1 646 . 1 1 1 A 52 52 ASN CA C 79 53.300 52.682 0.618 1 1 647 . 1 1 1 A 52 52 ASN CB C 79 41.350 40.865 0.485 1 1 648 . 1 1 1 A 52 52 ASN N N 79 119.620 120.688 -1.068 1 1 650 . 1 1 1 A 53 53 ALA H H 80 9.650 9.262 0.388 1 1 651 . 1 1 1 A 53 53 ALA HA H 80 4.110 4.104 0.006 1 1 655 . 1 1 1 A 53 53 ALA C C 80 176.800 177.112 -0.312 1 1 656 . 1 1 1 A 53 53 ALA CA C 80 52.860 53.392 -0.532 1 1 657 . 1 1 1 A 53 53 ALA CB C 80 16.760 17.909 -1.149 1 1 658 . 1 1 1 A 53 53 ALA N N 80 131.210 129.995 1.215 1 1 659 . 1 1 1 A 54 54 GLY H H 81 8.850 8.585 0.265 1 1 660 . 1 1 1 A 54 54 GLY HA2 H 81 4.320 3.912 0.408 1 1 661 . 1 1 1 A 54 54 GLY HA3 H 81 4.220 3.937 0.283 1 1 662 . 1 1 1 A 54 54 GLY C C 81 173.950 174.218 -0.268 1 1 663 . 1 1 1 A 54 54 GLY CA C 81 45.320 45.353 -0.033 1 1 664 . 1 1 1 A 54 54 GLY N N 81 104.570 102.728 1.842 1 1 665 . 1 1 1 A 55 55 LYS H H 82 8.030 7.889 0.141 1 1 666 . 1 1 1 A 55 55 LYS HA H 82 4.910 4.452 0.458 1 1 675 . 1 1 1 A 55 55 LYS C C 82 174.120 175.869 -1.749 1 1 676 . 1 1 1 A 55 55 LYS CA C 82 54.350 56.411 -2.061 1 1 677 . 1 1 1 A 55 55 LYS CB C 82 34.010 32.412 1.598 1 1 681 . 1 1 1 A 55 55 LYS N N 82 120.230 120.606 -0.376 1 1 682 . 1 1 1 A 56 56 PHE H H 83 9.390 9.352 0.038 1 1 683 . 1 1 1 A 56 56 PHE HA H 83 4.250 4.589 -0.339 1 1 691 . 1 1 1 A 56 56 PHE C C 83 173.870 174.184 -0.314 1 1 692 . 1 1 1 A 56 56 PHE CA C 83 56.630 56.907 -0.277 1 1 693 . 1 1 1 A 56 56 PHE CB C 83 40.940 40.165 0.775 1 1 699 . 1 1 1 A 56 56 PHE N N 83 125.150 125.825 -0.675 1 1 700 . 1 1 1 A 57 57 MET H H 84 8.270 8.805 -0.535 1 1 701 . 1 1 1 A 57 57 MET HA H 84 5.140 6.179 -1.039 1 1 709 . 1 1 1 A 57 57 MET C C 84 174.090 175.004 -0.914 1 1 710 . 1 1 1 A 57 57 MET CA C 84 53.600 53.828 -0.228 1 1 711 . 1 1 1 A 57 57 MET CB C 84 36.190 36.858 -0.668 1 1 714 . 1 1 1 A 57 57 MET N N 84 124.270 125.141 -0.871 1 1 715 . 1 1 1 A 58 58 GLY H H 85 7.420 8.216 -0.796 1 1 716 . 1 1 1 A 58 58 GLY HA2 H 85 3.900 3.802 0.098 1 1 717 . 1 1 1 A 58 58 GLY HA3 H 85 2.790 3.919 -1.129 1 1 718 . 1 1 1 A 58 58 GLY C C 85 169.900 171.724 -1.824 1 1 719 . 1 1 1 A 58 58 GLY CA C 85 45.620 45.249 0.371 1 1 720 . 1 1 1 A 58 58 GLY N N 85 103.440 107.612 -4.172 1 1 721 . 1 1 1 A 59 59 ASN H H 86 8.410 8.711 -0.301 1 1 722 . 1 1 1 A 59 59 ASN HA H 86 4.890 4.971 -0.081 1 1 727 . 1 1 1 A 59 59 ASN C C 86 174.650 174.428 0.222 1 1 728 . 1 1 1 A 59 59 ASN CA C 86 51.110 52.729 -1.619 1 1 729 . 1 1 1 A 59 59 ASN CB C 86 38.140 39.211 -1.071 1 1 730 . 1 1 1 A 59 59 ASN N N 86 122.270 122.096 0.174 1 1 732 . 1 1 1 A 60 60 PHE H H 87 8.870 8.959 -0.089 1 1 733 . 1 1 1 A 60 60 PHE HA H 87 4.120 4.995 -0.875 1 1 741 . 1 1 1 A 60 60 PHE C C 87 175.620 175.062 0.558 1 1 742 . 1 1 1 A 60 60 PHE CA C 87 58.850 57.024 1.826 1 1 743 . 1 1 1 A 60 60 PHE CB C 87 39.910 40.866 -0.956 1 1 749 . 1 1 1 A 60 60 PHE N N 87 123.420 126.278 -2.858 1 1 750 . 1 1 1 A 61 61 ASN H H 88 8.610 9.462 -0.852 1 1 751 . 1 1 1 A 61 61 ASN HA H 88 4.900 5.208 -0.308 1 1 756 . 1 1 1 A 61 61 ASN C C 88 175.090 173.978 1.112 1 1 757 . 1 1 1 A 61 61 ASN CA C 88 52.690 52.103 0.587 1 1 758 . 1 1 1 A 61 61 ASN CB C 88 39.830 39.599 0.231 1 1 759 . 1 1 1 A 61 61 ASN N N 88 121.520 119.945 1.575 1 1 761 . 1 1 1 A 62 62 VAL H H 89 8.890 8.500 0.390 1 1 762 . 1 1 1 A 62 62 VAL HA H 89 4.820 4.832 -0.012 1 1 770 . 1 1 1 A 62 62 VAL C C 89 174.650 175.782 -1.132 1 1 771 . 1 1 1 A 62 62 VAL CA C 89 60.870 61.900 -1.030 1 1 772 . 1 1 1 A 62 62 VAL CB C 89 34.690 32.783 1.907 1 1 775 . 1 1 1 A 62 62 VAL N N 89 123.750 122.833 0.917 1 1 776 . 1 1 1 A 63 63 LYS H H 90 8.750 9.565 -0.815 1 1 777 . 1 1 1 A 63 63 LYS HA H 90 4.670 5.186 -0.516 1 1 786 . 1 1 1 A 63 63 LYS C C 90 174.990 175.329 -0.339 1 1 787 . 1 1 1 A 63 63 LYS CA C 90 55.010 54.749 0.261 1 1 788 . 1 1 1 A 63 63 LYS CB C 90 34.030 35.712 -1.682 1 1 792 . 1 1 1 A 63 63 LYS N N 90 126.210 123.951 2.259 1 1 793 . 1 1 1 A 64 64 GLU H H 91 9.170 9.010 0.160 1 1 794 . 1 1 1 A 64 64 GLU HA H 91 5.020 5.239 -0.219 1 1 799 . 1 1 1 A 64 64 GLU C C 91 175.680 174.996 0.684 1 1 800 . 1 1 1 A 64 64 GLU CA C 91 54.400 55.098 -0.698 1 1 801 . 1 1 1 A 64 64 GLU CB C 91 32.690 33.528 -0.838 1 1 803 . 1 1 1 A 64 64 GLU N N 91 128.500 118.998 9.502 1 1 804 . 1 1 1 A 65 65 VAL H H 92 8.330 8.541 -0.211 1 1 805 . 1 1 1 A 65 65 VAL HA H 92 3.880 4.480 -0.600 1 1 813 . 1 1 1 A 65 65 VAL C C 92 175.940 174.602 1.338 1 1 814 . 1 1 1 A 65 65 VAL CA C 92 62.290 61.321 0.969 1 1 815 . 1 1 1 A 65 65 VAL CB C 92 32.080 33.061 -0.981 1 1 818 . 1 1 1 A 65 65 VAL N N 92 126.870 119.642 7.228 1 1 819 . 1 1 1 A 66 66 ASP H H 93 8.810 8.900 -0.090 1 1 820 . 1 1 1 A 66 66 ASP HA H 93 4.440 5.353 -0.913 1 1 823 . 1 1 1 A 66 66 ASP C C 93 177.330 176.759 0.571 1 1 824 . 1 1 1 A 66 66 ASP CA C 93 55.950 52.431 3.519 1 1 825 . 1 1 1 A 66 66 ASP CB C 93 40.760 43.793 -3.033 1 1 826 . 1 1 1 A 66 66 ASP N N 93 130.720 124.246 6.474 1 1 827 . 1 1 1 A 67 67 GLY H H 94 8.910 8.441 0.469 1 1 828 . 1 1 1 A 67 67 GLY HA2 H 94 4.020 3.906 0.114 1 1 829 . 1 1 1 A 67 67 GLY HA3 H 94 3.820 3.916 -0.096 1 1 830 . 1 1 1 A 67 67 GLY C C 94 173.530 174.779 -1.249 1 1 831 . 1 1 1 A 67 67 GLY CA C 94 45.830 45.062 0.768 1 1 832 . 1 1 1 A 67 67 GLY N N 94 112.760 113.095 -0.335 1 1 833 . 1 1 1 A 68 68 CYS H H 95 7.540 8.020 -0.480 1 1 834 . 1 1 1 A 68 68 CYS HA H 95 4.260 4.158 0.102 1 1 837 . 1 1 1 A 68 68 CYS C C 95 175.640 175.061 0.579 1 1 838 . 1 1 1 A 68 68 CYS CA C 95 58.280 58.959 -0.679 1 1 839 . 1 1 1 A 68 68 CYS CB C 95 38.240 41.959 -3.719 1 1 840 . 1 1 1 A 68 68 CYS N N 95 119.700 119.923 -0.223 1 1 841 . 1 1 1 A 69 69 PHE H H 96 8.850 7.708 1.142 1 1 842 . 1 1 1 A 69 69 PHE HA H 96 5.010 4.630 0.380 1 1 850 . 1 1 1 A 69 69 PHE C C 96 177.330 175.319 2.011 1 1 851 . 1 1 1 A 69 69 PHE CA C 96 56.460 57.613 -1.153 1 1 852 . 1 1 1 A 69 69 PHE CB C 96 40.020 38.858 1.162 1 1 858 . 1 1 1 A 69 69 PHE N N 96 117.790 117.505 0.285 1 1 859 . 1 1 1 A 70 70 MET H H 97 8.710 8.016 0.694 1 1 860 . 1 1 1 A 70 70 MET HA H 97 4.700 4.155 0.545 1 1 868 . 1 1 1 A 70 70 MET C C 97 177.650 176.020 1.630 1 1 869 . 1 1 1 A 70 70 MET CA C 97 54.570 57.613 -3.043 1 1 870 . 1 1 1 A 70 70 MET CB C 97 33.990 31.395 2.595 1 1 873 . 1 1 1 A 70 70 MET N N 97 119.890 116.092 3.798 1 1 874 . 1 1 1 A 71 71 ASP H H 98 8.980 8.641 0.339 1 1 875 . 1 1 1 A 71 71 ASP HA H 98 4.280 4.837 -0.557 1 1 878 . 1 1 1 A 71 71 ASP C C 98 177.920 177.030 0.890 1 1 879 . 1 1 1 A 71 71 ASP CA C 98 58.380 55.293 3.087 1 1 880 . 1 1 1 A 71 71 ASP CB C 98 40.100 43.357 -3.257 1 1 881 . 1 1 1 A 71 71 ASP N N 98 123.440 124.510 -1.070 1 1 882 . 1 1 1 A 72 72 ALA H H 99 8.950 8.034 0.916 1 1 883 . 1 1 1 A 72 72 ALA HA H 99 4.030 4.101 -0.071 1 1 887 . 1 1 1 A 72 72 ALA C C 99 180.740 179.498 1.242 1 1 888 . 1 1 1 A 72 72 ALA CA C 99 55.020 54.319 0.701 1 1 889 . 1 1 1 A 72 72 ALA CB C 99 18.280 18.448 -0.168 1 1 890 . 1 1 1 A 72 72 ALA N N 99 119.200 122.261 -3.061 1 1 891 . 1 1 1 A 73 73 GLN H H 100 7.120 7.745 -0.625 1 1 892 . 1 1 1 A 73 73 GLN HA H 100 4.020 4.636 -0.616 1 1 899 . 1 1 1 A 73 73 GLN C C 100 176.880 178.381 -1.501 1 1 900 . 1 1 1 A 73 73 GLN CA C 100 57.720 58.690 -0.970 1 1 901 . 1 1 1 A 73 73 GLN CB C 100 28.940 28.323 0.617 1 1 903 . 1 1 1 A 73 73 GLN N N 100 115.380 118.034 -2.654 1 1 905 . 1 1 1 A 74 74 LYS H H 101 7.760 7.822 -0.062 1 1 906 . 1 1 1 A 74 74 LYS HA H 101 3.510 4.049 -0.539 1 1 915 . 1 1 1 A 74 74 LYS C C 101 177.610 178.552 -0.942 1 1 916 . 1 1 1 A 74 74 LYS CA C 101 58.500 58.984 -0.484 1 1 917 . 1 1 1 A 74 74 LYS CB C 101 31.790 32.478 -0.688 1 1 921 . 1 1 1 A 74 74 LYS N N 101 119.560 121.141 -1.581 1 1 922 . 1 1 1 A 75 75 ILE H H 102 7.760 8.124 -0.364 1 1 923 . 1 1 1 A 75 75 ILE HA H 102 3.750 3.623 0.127 1 1 933 . 1 1 1 A 75 75 ILE C C 102 178.530 177.631 0.899 1 1 934 . 1 1 1 A 75 75 ILE CA C 102 64.200 65.583 -1.383 1 1 935 . 1 1 1 A 75 75 ILE CB C 102 38.170 37.642 0.528 1 1 939 . 1 1 1 A 75 75 ILE N N 102 117.490 120.118 -2.628 1 1 940 . 1 1 1 A 76 76 ALA H H 103 7.090 8.654 -1.564 1 1 941 . 1 1 1 A 76 76 ALA HA H 103 3.990 3.858 0.132 1 1 945 . 1 1 1 A 76 76 ALA C C 103 178.650 180.398 -1.748 1 1 946 . 1 1 1 A 76 76 ALA CA C 103 55.020 55.273 -0.253 1 1 947 . 1 1 1 A 76 76 ALA CB C 103 18.570 18.349 0.221 1 1 948 . 1 1 1 A 76 76 ALA N N 103 121.190 121.916 -0.726 1 1 949 . 1 1 1 A 77 77 ILE H H 104 8.150 7.745 0.405 1 1 950 . 1 1 1 A 77 77 ILE HA H 104 3.420 3.449 -0.029 1 1 960 . 1 1 1 A 77 77 ILE C C 104 176.670 177.188 -0.518 1 1 961 . 1 1 1 A 77 77 ILE CA C 104 63.130 64.665 -1.535 1 1 962 . 1 1 1 A 77 77 ILE CB C 104 36.680 36.405 0.275 1 1 966 . 1 1 1 A 77 77 ILE N N 104 119.240 118.523 0.717 1 1 967 . 1 1 1 A 78 78 ASP H H 105 8.290 8.525 -0.235 1 1 968 . 1 1 1 A 78 78 ASP HA H 105 4.440 4.263 0.177 1 1 971 . 1 1 1 A 78 78 ASP C C 105 180.350 178.436 1.914 1 1 972 . 1 1 1 A 78 78 ASP CA C 105 57.440 57.858 -0.418 1 1 973 . 1 1 1 A 78 78 ASP CB C 105 39.430 41.412 -1.982 1 1 974 . 1 1 1 A 78 78 ASP N N 105 121.080 121.966 -0.886 1 1 975 . 1 1 1 A 79 79 LYS H H 106 7.960 8.293 -0.333 1 1 976 . 1 1 1 A 79 79 LYS HA H 106 4.010 3.954 0.056 1 1 985 . 1 1 1 A 79 79 LYS C C 106 178.580 179.099 -0.519 1 1 986 . 1 1 1 A 79 79 LYS CA C 106 59.780 59.366 0.414 1 1 987 . 1 1 1 A 79 79 LYS CB C 106 31.800 32.247 -0.447 1 1 991 . 1 1 1 A 79 79 LYS N N 106 121.340 118.767 2.573 1 1 992 . 1 1 1 A 80 80 LEU H H 107 8.230 8.175 0.055 1 1 993 . 1 1 1 A 80 80 LEU HA H 107 3.990 4.158 -0.168 1 1 1003 . 1 1 1 A 80 80 LEU C C 107 178.230 178.422 -0.192 1 1 1004 . 1 1 1 A 80 80 LEU CA C 107 58.570 58.028 0.542 1 1 1005 . 1 1 1 A 80 80 LEU CB C 107 41.110 41.277 -0.167 1 1 1009 . 1 1 1 A 80 80 LEU N N 107 123.530 120.900 2.630 1 1 1010 . 1 1 1 A 81 81 PHE H H 108 8.050 8.555 -0.505 1 1 1011 . 1 1 1 A 81 81 PHE HA H 108 4.350 4.019 0.331 1 1 1019 . 1 1 1 A 81 81 PHE C C 108 179.570 177.925 1.645 1 1 1020 . 1 1 1 A 81 81 PHE CA C 108 61.070 60.522 0.548 1 1 1021 . 1 1 1 A 81 81 PHE CB C 108 37.010 37.702 -0.692 1 1 1027 . 1 1 1 A 81 81 PHE N N 108 116.720 118.336 -1.616 1 1 1028 . 1 1 1 A 82 82 SER H H 109 8.410 8.465 -0.055 1 1 1029 . 1 1 1 A 82 82 SER HA H 109 4.360 4.269 0.091 1 1 1032 . 1 1 1 A 82 82 SER C C 109 176.200 177.571 -1.371 1 1 1033 . 1 1 1 A 82 82 SER CA C 109 61.830 61.378 0.452 1 1 1034 . 1 1 1 A 82 82 SER CB C 109 62.570 63.118 -0.548 1 1 1035 . 1 1 1 A 82 82 SER N N 109 118.120 115.646 2.474 1 1 1036 . 1 1 1 A 83 83 MET H H 110 8.420 8.234 0.186 1 1 1037 . 1 1 1 A 83 83 MET HA H 110 4.210 4.155 0.055 1 1 1043 . 1 1 1 A 83 83 MET C C 110 178.260 178.899 -0.639 1 1 1044 . 1 1 1 A 83 83 MET CA C 110 59.170 59.007 0.163 1 1 1045 . 1 1 1 A 83 83 MET CB C 110 31.240 32.795 -1.555 1 1 1047 . 1 1 1 A 83 83 MET N N 110 123.040 120.149 2.891 1 1 1048 . 1 1 1 A 84 84 LEU H H 111 8.080 8.179 -0.099 1 1 1049 . 1 1 1 A 84 84 LEU HA H 111 4.140 4.033 0.107 1 1 1059 . 1 1 1 A 84 84 LEU C C 111 178.030 178.958 -0.928 1 1 1060 . 1 1 1 A 84 84 LEU CA C 111 57.390 58.346 -0.956 1 1 1061 . 1 1 1 A 84 84 LEU CB C 111 41.430 41.880 -0.450 1 1 1065 . 1 1 1 A 84 84 LEU N N 111 117.910 119.876 -1.966 1 1 1066 . 1 1 1 A 85 85 LYS H H 112 7.640 7.673 -0.033 1 1 1067 . 1 1 1 A 85 85 LYS HA H 112 4.110 4.152 -0.042 1 1 1076 . 1 1 1 A 85 85 LYS C C 112 177.650 178.149 -0.499 1 1 1077 . 1 1 1 A 85 85 LYS CA C 112 58.750 59.302 -0.552 1 1 1078 . 1 1 1 A 85 85 LYS CB C 112 32.240 32.031 0.209 1 1 1082 . 1 1 1 A 85 85 LYS N N 112 119.340 117.589 1.751 1 1 1083 . 1 1 1 A 86 86 ASP H H 113 7.350 7.788 -0.438 1 1 1084 . 1 1 1 A 86 86 ASP HA H 113 4.570 4.716 -0.146 1 1 1087 . 1 1 1 A 86 86 ASP C C 113 176.950 176.470 0.480 1 1 1088 . 1 1 1 A 86 86 ASP CA C 113 55.770 54.213 1.557 1 1 1089 . 1 1 1 A 86 86 ASP CB C 113 42.420 41.437 0.983 1 1 1090 . 1 1 1 A 86 86 ASP N N 113 117.210 117.418 -0.208 1 1 1091 . 1 1 1 A 87 87 GLY H H 114 7.760 7.893 -0.133 1 1 1092 . 1 1 1 A 87 87 GLY HA2 H 114 4.380 4.082 0.298 1 1 1093 . 1 1 1 A 87 87 GLY HA3 H 114 4.380 4.095 0.285 1 1 1094 . 1 1 1 A 87 87 GLY C C 114 173.000 174.065 -1.065 1 1 1095 . 1 1 1 A 87 87 GLY CA C 114 44.490 45.537 -1.047 1 1 1096 . 1 1 1 A 87 87 GLY N N 114 107.740 106.910 0.830 1 1 1097 . 1 1 1 A 88 88 VAL H H 115 9.350 8.619 0.731 1 1 1098 . 1 1 1 A 88 88 VAL HA H 115 4.960 4.538 0.422 1 1 1106 . 1 1 1 A 88 88 VAL C C 115 173.100 174.638 -1.538 1 1 1107 . 1 1 1 A 88 88 VAL CA C 115 58.650 62.492 -3.842 1 1 1108 . 1 1 1 A 88 88 VAL CB C 115 35.910 33.177 2.733 1 1 1111 . 1 1 1 A 88 88 VAL N N 115 118.050 123.886 -5.836 1 1 1112 . 1 1 1 A 89 89 VAL H H 116 9.000 9.745 -0.745 1 1 1113 . 1 1 1 A 89 89 VAL HA H 116 4.550 4.933 -0.383 1 1 1121 . 1 1 1 A 89 89 VAL C C 116 174.640 174.638 0.002 1 1 1122 . 1 1 1 A 89 89 VAL CA C 116 61.360 59.873 1.487 1 1 1123 . 1 1 1 A 89 89 VAL CB C 116 33.760 34.219 -0.459 1 1 1126 . 1 1 1 A 89 89 VAL N N 116 121.030 128.096 -7.066 1 1 1127 . 1 1 1 A 90 90 LEU H H 117 8.950 8.825 0.125 1 1 1128 . 1 1 1 A 90 90 LEU HA H 117 5.160 5.554 -0.394 1 1 1138 . 1 1 1 A 90 90 LEU C C 117 176.150 176.633 -0.483 1 1 1139 . 1 1 1 A 90 90 LEU CA C 117 52.230 54.372 -2.142 1 1 1140 . 1 1 1 A 90 90 LEU CB C 117 44.280 41.952 2.328 1 1 1144 . 1 1 1 A 90 90 LEU N N 117 125.420 129.727 -4.307 1 1 1145 . 1 1 1 A 91 91 LYS H H 118 8.280 8.315 -0.035 1 1 1146 . 1 1 1 A 91 91 LYS HA H 118 4.900 4.544 0.356 1 1 1155 . 1 1 1 A 91 91 LYS C C 118 175.300 175.243 0.057 1 1 1156 . 1 1 1 A 91 91 LYS CA C 118 53.810 55.537 -1.727 1 1 1157 . 1 1 1 A 91 91 LYS CB C 118 36.840 36.661 0.179 1 1 1161 . 1 1 1 A 91 91 LYS N N 118 119.720 121.958 -2.238 1 1 1162 . 1 1 1 A 92 92 GLY H H 119 9.030 8.330 0.700 1 1 1163 . 1 1 1 A 92 92 GLY HA2 H 119 3.750 4.248 -0.498 1 1 1164 . 1 1 1 A 92 92 GLY HA3 H 119 3.750 4.258 -0.508 1 1 1165 . 1 1 1 A 92 92 GLY CA C 119 43.980 46.151 -2.171 1 1 1166 . 1 1 1 A 92 92 GLY N N 119 109.730 108.788 0.942 1 1 1167 . 1 1 1 A 94 94 LYS HA H 121 4.760 3.906 0.854 1 1 1168 . 1 1 1 A 95 95 ILE H H 122 7.700 7.695 0.005 1 1 1169 . 1 1 1 A 95 95 ILE HA H 122 4.160 4.729 -0.569 1 1 1179 . 1 1 1 A 95 95 ILE CA C 122 61.270 59.282 1.988 1 1 1180 . 1 1 1 A 95 95 ILE CB C 122 37.590 41.684 -4.094 1 1 1184 . 1 1 1 A 95 95 ILE N N 122 117.400 119.669 -2.269 1 1 1185 . 1 1 1 A 98 98 THR HA H 125 5.810 4.827 0.983 1 1 1190 . 1 1 1 A 98 98 THR CA C 125 61.740 61.291 0.449 1 1 1191 . 1 1 1 A 98 98 THR CB C 125 73.450 72.717 0.733 1 1 1193 . 1 1 1 A 99 99 ILE HA H 126 4.630 4.626 0.004 1 1 1203 . 1 1 1 A 99 99 ILE C C 126 174.430 174.969 -0.539 1 1 1204 . 1 1 1 A 99 99 ILE CA C 126 59.980 60.172 -0.192 1 1 1205 . 1 1 1 A 99 99 ILE CB C 126 40.970 39.334 1.636 1 1 1209 . 1 1 1 A 100 100 LEU H H 127 9.530 8.701 0.829 1 1 1210 . 1 1 1 A 100 100 LEU HA H 127 4.420 5.051 -0.631 1 1 1220 . 1 1 1 A 100 100 LEU C C 127 174.930 175.431 -0.501 1 1 1221 . 1 1 1 A 100 100 LEU CA C 127 54.030 53.516 0.514 1 1 1222 . 1 1 1 A 100 100 LEU CB C 127 42.520 45.733 -3.213 1 1 1226 . 1 1 1 A 100 100 LEU N N 127 127.300 125.845 1.455 1 1 1227 . 1 1 1 A 101 101 ILE H H 128 8.260 9.170 -0.910 1 1 1228 . 1 1 1 A 101 101 ILE HA H 128 4.320 4.688 -0.368 1 1 1238 . 1 1 1 A 101 101 ILE C C 128 173.880 174.654 -0.774 1 1 1239 . 1 1 1 A 101 101 ILE CA C 128 60.900 60.386 0.514 1 1 1240 . 1 1 1 A 101 101 ILE CB C 128 37.410 38.433 -1.023 1 1 1244 . 1 1 1 A 101 101 ILE N N 128 119.990 123.700 -3.710 1 1 1245 . 1 1 1 A 102 102 GLU H H 129 9.580 8.832 0.748 1 1 1246 . 1 1 1 A 102 102 GLU HA H 129 5.120 5.384 -0.264 1 1 1251 . 1 1 1 A 102 102 GLU C C 129 174.240 174.650 -0.410 1 1 1252 . 1 1 1 A 102 102 GLU CA C 129 54.050 54.764 -0.714 1 1 1253 . 1 1 1 A 102 102 GLU CB C 129 33.630 33.662 -0.032 1 1 1255 . 1 1 1 A 102 102 GLU N N 129 129.780 130.250 -0.470 1 1 1256 . 1 1 1 A 103 103 LYS H H 130 8.680 8.468 0.212 1 1 1257 . 1 1 1 A 103 103 LYS HA H 130 4.720 4.744 -0.024 1 1 1264 . 1 1 1 A 103 103 LYS C C 130 175.280 174.875 0.405 1 1 1265 . 1 1 1 A 103 103 LYS CA C 130 55.190 55.700 -0.510 1 1 1266 . 1 1 1 A 103 103 LYS CB C 130 36.750 35.189 1.561 1 1 1270 . 1 1 1 A 103 103 LYS N N 130 123.420 123.343 0.077 1 1 1271 . 1 1 1 A 104 104 ASP H H 131 9.530 9.424 0.106 1 1 1272 . 1 1 1 A 104 104 ASP HA H 131 4.290 4.434 -0.144 1 1 1275 . 1 1 1 A 104 104 ASP C C 131 176.090 176.469 -0.379 1 1 1276 . 1 1 1 A 104 104 ASP CA C 131 55.370 55.388 -0.018 1 1 1277 . 1 1 1 A 104 104 ASP CB C 131 39.260 39.333 -0.073 1 1 1278 . 1 1 1 A 104 104 ASP N N 131 127.440 121.346 6.094 1 1 1279 . 1 1 1 A 105 105 GLY H H 132 8.970 8.659 0.311 1 1 1280 . 1 1 1 A 105 105 GLY HA2 H 132 4.090 3.869 0.221 1 1 1281 . 1 1 1 A 105 105 GLY HA3 H 132 3.550 3.870 -0.320 1 1 1282 . 1 1 1 A 105 105 GLY C C 132 173.130 173.463 -0.333 1 1 1283 . 1 1 1 A 105 105 GLY CA C 132 45.230 45.644 -0.414 1 1 1284 . 1 1 1 A 105 105 GLY N N 132 103.820 104.220 -0.400 1 1 1285 . 1 1 1 A 106 106 GLU H H 133 7.720 7.616 0.104 1 1 1286 . 1 1 1 A 106 106 GLU HA H 133 4.720 4.733 -0.013 1 1 1291 . 1 1 1 A 106 106 GLU C C 133 174.940 173.896 1.044 1 1 1292 . 1 1 1 A 106 106 GLU CA C 133 53.770 54.734 -0.964 1 1 1293 . 1 1 1 A 106 106 GLU CB C 133 32.820 32.173 0.647 1 1 1295 . 1 1 1 A 106 106 GLU N N 133 120.200 115.787 4.413 1 1 1296 . 1 1 1 A 107 107 VAL H H 134 8.900 8.774 0.126 1 1 1297 . 1 1 1 A 107 107 VAL HA H 134 3.760 4.241 -0.481 1 1 1305 . 1 1 1 A 107 107 VAL C C 134 175.340 176.023 -0.683 1 1 1306 . 1 1 1 A 107 107 VAL CA C 134 64.230 61.873 2.357 1 1 1307 . 1 1 1 A 107 107 VAL CB C 134 31.160 32.874 -1.714 1 1 1310 . 1 1 1 A 107 107 VAL N N 134 125.990 122.509 3.481 1 1 1311 . 1 1 1 A 108 108 LYS H H 135 9.250 8.658 0.592 1 1 1312 . 1 1 1 A 108 108 LYS HA H 135 4.810 4.614 0.196 1 1 1321 . 1 1 1 A 108 108 LYS C C 135 174.390 175.746 -1.356 1 1 1322 . 1 1 1 A 108 108 LYS CA C 135 54.740 55.797 -1.057 1 1 1323 . 1 1 1 A 108 108 LYS CB C 135 34.690 33.737 0.953 1 1 1327 . 1 1 1 A 108 108 LYS N N 135 126.060 123.981 2.079 1 1 1328 . 1 1 1 A 109 109 LEU H H 136 7.690 7.258 0.432 1 1 1329 . 1 1 1 A 109 109 LEU HA H 136 4.820 5.265 -0.445 1 1 1339 . 1 1 1 A 109 109 LEU C C 136 172.450 174.466 -2.016 1 1 1340 . 1 1 1 A 109 109 LEU CA C 136 53.250 53.678 -0.428 1 1 1341 . 1 1 1 A 109 109 LEU CB C 136 47.800 45.368 2.432 1 1 1345 . 1 1 1 A 109 109 LEU N N 136 116.670 120.130 -3.460 1 1 1346 . 1 1 1 A 110 110 LYS H H 137 9.170 8.586 0.584 1 1 1347 . 1 1 1 A 110 110 LYS HA H 137 5.050 4.935 0.115 1 1 1356 . 1 1 1 A 110 110 LYS C C 137 172.760 174.831 -2.071 1 1 1357 . 1 1 1 A 110 110 LYS CA C 137 54.090 54.583 -0.493 1 1 1358 . 1 1 1 A 110 110 LYS CB C 137 36.560 37.007 -0.447 1 1 1362 . 1 1 1 A 110 110 LYS N N 137 117.050 122.591 -5.541 1 1 1363 . 1 1 1 A 111 111 LEU H H 138 9.400 8.841 0.559 1 1 1364 . 1 1 1 A 111 111 LEU HA H 138 5.250 4.820 0.430 1 1 1374 . 1 1 1 A 111 111 LEU C C 138 176.470 176.734 -0.264 1 1 1375 . 1 1 1 A 111 111 LEU CA C 138 52.230 53.809 -1.579 1 1 1376 . 1 1 1 A 111 111 LEU CB C 138 42.810 40.924 1.886 1 1 1380 . 1 1 1 A 111 111 LEU N N 138 121.800 121.847 -0.047 1 1 1381 . 1 1 1 A 112 112 ILE H H 139 9.080 8.820 0.260 1 1 1382 . 1 1 1 A 112 112 ILE HA H 139 5.420 4.301 1.119 1 1 1392 . 1 1 1 A 112 112 ILE C C 139 175.710 175.257 0.453 1 1 1393 . 1 1 1 A 112 112 ILE CA C 139 59.170 63.189 -4.019 1 1 1394 . 1 1 1 A 112 112 ILE CB C 139 41.010 37.056 3.954 1 1 1398 . 1 1 1 A 112 112 ILE N N 139 120.350 119.880 0.470 1 1 1399 . 1 1 1 A 113 113 ARG H H 140 8.550 8.642 -0.092 1 1 1400 . 1 1 1 A 113 113 ARG HA H 140 3.940 4.424 -0.484 1 1 1403 . 1 1 1 A 113 113 ARG C C 140 176.030 177.322 -1.292 1 1 1404 . 1 1 1 A 113 113 ARG CA C 140 56.180 55.423 0.757 1 1 1405 . 1 1 1 A 113 113 ARG CB C 140 30.770 29.345 1.425 1 1 1408 . 1 1 1 A 113 113 ARG N N 140 127.710 123.532 4.178 1 1 1409 . 1 1 1 A 114 114 GLY H H 141 8.530 8.208 0.322 1 1 1410 . 1 1 1 A 114 114 GLY HA2 H 141 4.000 3.669 0.331 1 1 1411 . 1 1 1 A 114 114 GLY HA3 H 141 3.820 3.688 0.132 1 1 1412 . 1 1 1 A 114 114 GLY C C 141 172.650 175.055 -2.405 1 1 1413 . 1 1 1 A 114 114 GLY CA C 141 45.100 47.438 -2.338 1 1 1414 . 1 1 1 A 114 114 GLY N N 141 111.410 108.747 2.663 1 1 1 . 2 1 1 A 2 2 SER HA H 29 4.540 4.564 -0.024 1 1 4 . 2 1 1 A 2 2 SER C C 29 174.370 173.221 1.149 1 1 5 . 2 1 1 A 2 2 SER CA C 29 58.380 57.869 0.511 1 1 6 . 2 1 1 A 2 2 SER CB C 29 63.670 61.375 2.295 1 1 7 . 2 1 1 A 3 3 SER H H 30 8.530 8.170 0.360 1 1 8 . 2 1 1 A 3 3 SER HA H 30 4.480 4.919 -0.439 1 1 11 . 2 1 1 A 3 3 SER C C 30 174.610 173.045 1.565 1 1 12 . 2 1 1 A 3 3 SER CA C 30 58.380 57.363 1.017 1 1 13 . 2 1 1 A 3 3 SER CB C 30 63.690 65.289 -1.599 1 1 14 . 2 1 1 A 3 3 SER N N 30 117.760 115.761 1.999 1 1 15 . 2 1 1 A 4 4 ASN H H 31 8.600 8.519 0.081 1 1 16 . 2 1 1 A 4 4 ASN HA H 31 4.710 4.330 0.380 1 1 21 . 2 1 1 A 4 4 ASN C C 31 175.840 174.974 0.866 1 1 22 . 2 1 1 A 4 4 ASN CA C 31 53.880 54.388 -0.508 1 1 23 . 2 1 1 A 4 4 ASN CB C 31 38.520 37.004 1.516 1 1 24 . 2 1 1 A 4 4 ASN N N 31 120.910 117.032 3.878 1 1 26 . 2 1 1 A 5 5 SER H H 32 8.360 7.592 0.768 1 1 27 . 2 1 1 A 5 5 SER HA H 32 4.420 4.388 0.032 1 1 30 . 2 1 1 A 5 5 SER C C 32 174.700 174.437 0.263 1 1 31 . 2 1 1 A 5 5 SER CA C 32 59.310 59.690 -0.380 1 1 32 . 2 1 1 A 5 5 SER CB C 32 63.410 63.713 -0.303 1 1 33 . 2 1 1 A 5 5 SER N N 32 115.920 112.235 3.685 1 1 34 . 2 1 1 A 6 6 GLU H H 33 8.370 8.453 -0.083 1 1 35 . 2 1 1 A 6 6 GLU HA H 33 4.530 3.816 0.714 1 1 40 . 2 1 1 A 6 6 GLU C C 33 176.390 175.366 1.024 1 1 41 . 2 1 1 A 6 6 GLU CA C 33 56.510 57.406 -0.896 1 1 42 . 2 1 1 A 6 6 GLU CB C 33 29.850 27.948 1.902 1 1 44 . 2 1 1 A 6 6 GLU N N 33 121.670 120.799 0.871 1 1 45 . 2 1 1 A 7 7 LYS H H 34 8.120 7.790 0.330 1 1 46 . 2 1 1 A 7 7 LYS HA H 34 4.370 4.163 0.207 1 1 55 . 2 1 1 A 7 7 LYS C C 34 176.060 175.206 0.854 1 1 56 . 2 1 1 A 7 7 LYS CA C 34 56.140 55.012 1.128 1 1 57 . 2 1 1 A 7 7 LYS CB C 34 33.200 32.784 0.416 1 1 61 . 2 1 1 A 7 7 LYS N N 34 121.020 118.982 2.038 1 1 62 . 2 1 1 A 8 8 GLU H H 35 8.550 8.484 0.066 1 1 63 . 2 1 1 A 8 8 GLU HA H 35 4.830 4.456 0.374 1 1 68 . 2 1 1 A 8 8 GLU C C 35 175.050 175.027 0.023 1 1 69 . 2 1 1 A 8 8 GLU CA C 35 56.390 55.586 0.804 1 1 70 . 2 1 1 A 8 8 GLU CB C 35 31.340 30.185 1.155 1 1 72 . 2 1 1 A 8 8 GLU N N 35 122.450 123.191 -0.741 1 1 73 . 2 1 1 A 9 9 TRP H H 36 9.680 9.216 0.464 1 1 74 . 2 1 1 A 9 9 TRP HA H 36 4.860 5.048 -0.188 1 1 80 . 2 1 1 A 9 9 TRP C C 36 175.390 176.045 -0.655 1 1 81 . 2 1 1 A 9 9 TRP CA C 36 55.890 55.997 -0.107 1 1 82 . 2 1 1 A 9 9 TRP CB C 36 30.810 31.528 -0.718 1 1 85 . 2 1 1 A 9 9 TRP N N 36 122.800 126.107 -3.307 1 1 87 . 2 1 1 A 10 10 HIS H H 37 9.690 9.077 0.613 1 1 88 . 2 1 1 A 10 10 HIS HA H 37 4.990 5.160 -0.170 1 1 93 . 2 1 1 A 10 10 HIS C C 37 174.840 174.697 0.143 1 1 94 . 2 1 1 A 10 10 HIS CA C 37 54.720 55.489 -0.769 1 1 95 . 2 1 1 A 10 10 HIS CB C 37 29.840 31.457 -1.617 1 1 98 . 2 1 1 A 10 10 HIS N N 37 120.400 120.470 -0.070 1 1 99 . 2 1 1 A 11 11 ILE H H 38 7.740 8.541 -0.801 1 1 100 . 2 1 1 A 11 11 ILE HA H 38 4.360 4.458 -0.098 1 1 110 . 2 1 1 A 11 11 ILE C C 38 175.030 175.606 -0.576 1 1 111 . 2 1 1 A 11 11 ILE CA C 38 62.110 62.046 0.064 1 1 112 . 2 1 1 A 11 11 ILE CB C 38 37.590 37.894 -0.304 1 1 116 . 2 1 1 A 11 11 ILE N N 38 121.700 125.248 -3.548 1 1 117 . 2 1 1 A 12 12 VAL H H 39 9.370 9.243 0.127 1 1 118 . 2 1 1 A 12 12 VAL HA H 39 4.690 4.522 0.168 1 1 126 . 2 1 1 A 12 12 VAL CA C 39 58.500 58.602 -0.102 1 1 127 . 2 1 1 A 12 12 VAL CB C 39 34.970 34.592 0.378 1 1 130 . 2 1 1 A 12 12 VAL N N 39 130.310 127.626 2.684 1 1 131 . 2 1 1 A 13 13 PRO HA H 40 4.470 4.928 -0.458 1 1 138 . 2 1 1 A 13 13 PRO C C 40 175.070 176.585 -1.515 1 1 139 . 2 1 1 A 13 13 PRO CA C 40 63.130 62.278 0.852 1 1 140 . 2 1 1 A 13 13 PRO CB C 40 33.580 32.147 1.433 1 1 143 . 2 1 1 A 14 14 VAL H H 41 7.970 8.829 -0.859 1 1 144 . 2 1 1 A 14 14 VAL HA H 41 4.170 4.181 -0.011 1 1 152 . 2 1 1 A 14 14 VAL C C 41 175.360 176.149 -0.789 1 1 153 . 2 1 1 A 14 14 VAL CA C 41 63.600 63.718 -0.118 1 1 154 . 2 1 1 A 14 14 VAL CB C 41 34.050 32.864 1.186 1 1 157 . 2 1 1 A 14 14 VAL N N 41 119.000 119.122 -0.122 1 1 158 . 2 1 1 A 15 15 SER H H 42 8.040 7.453 0.587 1 1 159 . 2 1 1 A 15 15 SER HA H 42 4.530 4.566 -0.036 1 1 162 . 2 1 1 A 15 15 SER C C 42 176.240 175.295 0.945 1 1 163 . 2 1 1 A 15 15 SER CA C 42 57.620 56.024 1.596 1 1 164 . 2 1 1 A 15 15 SER CB C 42 64.250 64.982 -0.732 1 1 165 . 2 1 1 A 15 15 SER N N 42 113.900 115.399 -1.499 1 1 166 . 2 1 1 A 16 16 LYS H H 43 8.690 8.521 0.169 1 1 167 . 2 1 1 A 16 16 LYS HA H 43 2.830 2.352 0.478 1 1 176 . 2 1 1 A 16 16 LYS C C 43 177.790 177.890 -0.100 1 1 177 . 2 1 1 A 16 16 LYS CA C 43 58.100 58.604 -0.504 1 1 178 . 2 1 1 A 16 16 LYS CB C 43 31.840 31.714 0.126 1 1 182 . 2 1 1 A 16 16 LYS N N 43 124.940 123.530 1.410 1 1 183 . 2 1 1 A 17 17 ASP H H 44 8.590 7.703 0.887 1 1 184 . 2 1 1 A 17 17 ASP HA H 44 4.100 4.310 -0.210 1 1 187 . 2 1 1 A 17 17 ASP C C 44 176.670 176.902 -0.232 1 1 188 . 2 1 1 A 17 17 ASP CA C 44 55.580 56.151 -0.571 1 1 189 . 2 1 1 A 17 17 ASP CB C 44 39.300 40.969 -1.669 1 1 190 . 2 1 1 A 17 17 ASP N N 44 118.140 119.686 -1.546 1 1 191 . 2 1 1 A 18 18 TYR H H 45 7.870 7.883 -0.013 1 1 192 . 2 1 1 A 18 18 TYR HA H 45 4.550 4.652 -0.102 1 1 199 . 2 1 1 A 18 18 TYR C C 45 174.860 176.659 -1.799 1 1 200 . 2 1 1 A 18 18 TYR CA C 45 58.510 57.802 0.708 1 1 201 . 2 1 1 A 18 18 TYR CB C 45 39.470 38.589 0.881 1 1 206 . 2 1 1 A 18 18 TYR N N 45 115.260 116.961 -1.701 1 1 207 . 2 1 1 A 19 19 PHE H H 46 7.430 7.654 -0.224 1 1 208 . 2 1 1 A 19 19 PHE HA H 46 4.360 4.467 -0.107 1 1 215 . 2 1 1 A 19 19 PHE C C 46 176.950 176.453 0.497 1 1 216 . 2 1 1 A 19 19 PHE CA C 46 59.340 60.868 -1.528 1 1 217 . 2 1 1 A 19 19 PHE CB C 46 37.870 38.068 -0.198 1 1 222 . 2 1 1 A 19 19 PHE N N 46 120.020 121.193 -1.173 1 1 223 . 2 1 1 A 20 20 SER H H 47 8.620 7.805 0.815 1 1 224 . 2 1 1 A 20 20 SER HA H 47 4.430 4.543 -0.113 1 1 227 . 2 1 1 A 20 20 SER C C 47 173.980 174.946 -0.966 1 1 228 . 2 1 1 A 20 20 SER CA C 47 58.660 58.560 0.100 1 1 229 . 2 1 1 A 20 20 SER CB C 47 62.850 63.969 -1.119 1 1 230 . 2 1 1 A 20 20 SER N N 47 111.500 111.897 -0.397 1 1 231 . 2 1 1 A 21 21 ILE H H 48 7.660 7.593 0.067 1 1 232 . 2 1 1 A 21 21 ILE HA H 48 4.110 4.200 -0.090 1 1 242 . 2 1 1 A 21 21 ILE CA C 48 59.780 60.726 -0.946 1 1 243 . 2 1 1 A 21 21 ILE CB C 48 38.330 37.944 0.386 1 1 247 . 2 1 1 A 21 21 ILE N N 48 119.380 126.294 -6.914 1 1 248 . 2 1 1 A 22 22 PRO HA H 49 4.500 4.527 -0.027 1 1 255 . 2 1 1 A 22 22 PRO C C 49 176.110 177.513 -1.403 1 1 256 . 2 1 1 A 22 22 PRO CA C 49 62.880 62.624 0.256 1 1 257 . 2 1 1 A 22 22 PRO CB C 49 32.570 33.390 -0.820 1 1 260 . 2 1 1 A 23 23 ASN H H 50 8.630 8.810 -0.180 1 1 261 . 2 1 1 A 23 23 ASN HA H 50 4.800 4.535 0.265 1 1 266 . 2 1 1 A 23 23 ASN C C 50 176.580 174.995 1.585 1 1 267 . 2 1 1 A 23 23 ASN CA C 50 53.610 56.179 -2.569 1 1 268 . 2 1 1 A 23 23 ASN CB C 50 38.490 38.790 -0.300 1 1 269 . 2 1 1 A 23 23 ASN N N 50 117.590 118.612 -1.022 1 1 271 . 2 1 1 A 24 24 ASP H H 51 8.580 7.910 0.670 1 1 272 . 2 1 1 A 24 24 ASP HA H 51 4.760 5.042 -0.282 1 1 275 . 2 1 1 A 24 24 ASP C C 51 175.090 174.069 1.021 1 1 276 . 2 1 1 A 24 24 ASP CA C 51 52.500 54.329 -1.829 1 1 277 . 2 1 1 A 24 24 ASP CB C 51 39.840 42.692 -2.852 1 1 278 . 2 1 1 A 24 24 ASP N N 51 120.490 117.805 2.685 1 1 279 . 2 1 1 A 25 25 LEU H H 52 8.400 9.135 -0.735 1 1 280 . 2 1 1 A 25 25 LEU HA H 52 4.390 5.134 -0.744 1 1 290 . 2 1 1 A 25 25 LEU C C 52 176.340 175.541 0.799 1 1 291 . 2 1 1 A 25 25 LEU CA C 52 55.460 53.672 1.788 1 1 292 . 2 1 1 A 25 25 LEU CB C 52 43.270 44.174 -0.904 1 1 296 . 2 1 1 A 25 25 LEU N N 52 119.530 127.021 -7.491 1 1 297 . 2 1 1 A 26 26 LEU H H 53 8.840 9.481 -0.641 1 1 298 . 2 1 1 A 26 26 LEU HA H 53 5.140 5.086 0.054 1 1 308 . 2 1 1 A 26 26 LEU C C 53 174.620 175.017 -0.397 1 1 309 . 2 1 1 A 26 26 LEU CA C 53 52.840 53.158 -0.318 1 1 310 . 2 1 1 A 26 26 LEU CB C 53 44.070 42.802 1.268 1 1 314 . 2 1 1 A 26 26 LEU N N 53 126.610 123.630 2.980 1 1 315 . 2 1 1 A 27 27 TRP H H 54 9.230 9.403 -0.173 1 1 316 . 2 1 1 A 27 27 TRP HA H 54 5.570 5.300 0.270 1 1 325 . 2 1 1 A 27 27 TRP C C 54 175.740 174.902 0.838 1 1 326 . 2 1 1 A 27 27 TRP CA C 54 54.510 55.127 -0.617 1 1 327 . 2 1 1 A 27 27 TRP CB C 54 31.710 32.723 -1.013 1 1 333 . 2 1 1 A 27 27 TRP N N 54 122.650 128.316 -5.666 1 1 335 . 2 1 1 A 28 28 SER H H 55 9.240 9.088 0.152 1 1 336 . 2 1 1 A 28 28 SER HA H 55 5.490 5.645 -0.155 1 1 339 . 2 1 1 A 28 28 SER C C 55 173.440 173.103 0.337 1 1 340 . 2 1 1 A 28 28 SER CA C 55 56.990 56.979 0.011 1 1 341 . 2 1 1 A 28 28 SER CB C 55 66.150 65.474 0.676 1 1 342 . 2 1 1 A 28 28 SER N N 55 121.970 122.429 -0.459 1 1 343 . 2 1 1 A 29 29 PHE H H 56 9.590 9.352 0.238 1 1 344 . 2 1 1 A 29 29 PHE HA H 56 5.150 4.825 0.325 1 1 352 . 2 1 1 A 29 29 PHE C C 56 175.810 176.088 -0.278 1 1 353 . 2 1 1 A 29 29 PHE CA C 56 57.180 59.760 -2.580 1 1 354 . 2 1 1 A 29 29 PHE CB C 56 42.370 40.221 2.149 1 1 360 . 2 1 1 A 29 29 PHE N N 56 121.420 125.605 -4.185 1 1 361 . 2 1 1 A 30 30 ASN H H 57 9.400 9.169 0.231 1 1 362 . 2 1 1 A 30 30 ASN HA H 57 5.220 5.322 -0.102 1 1 367 . 2 1 1 A 30 30 ASN C C 57 176.540 175.929 0.611 1 1 368 . 2 1 1 A 30 30 ASN CA C 57 52.320 52.035 0.285 1 1 369 . 2 1 1 A 30 30 ASN CB C 57 38.520 38.517 0.003 1 1 370 . 2 1 1 A 30 30 ASN N N 57 120.660 122.512 -1.852 1 1 372 . 2 1 1 A 31 31 THR H H 58 9.180 8.744 0.436 1 1 373 . 2 1 1 A 31 31 THR HA H 58 4.800 4.920 -0.120 1 1 378 . 2 1 1 A 31 31 THR C C 58 176.950 176.717 0.233 1 1 379 . 2 1 1 A 31 31 THR CA C 58 63.430 64.280 -0.850 1 1 380 . 2 1 1 A 31 31 THR CB C 58 68.110 69.047 -0.937 1 1 382 . 2 1 1 A 31 31 THR N N 58 114.630 115.984 -1.354 1 1 383 . 2 1 1 A 32 32 THR H H 59 8.450 8.037 0.413 1 1 384 . 2 1 1 A 32 32 THR HA H 59 4.130 4.311 -0.181 1 1 389 . 2 1 1 A 32 32 THR C C 59 175.130 175.757 -0.627 1 1 390 . 2 1 1 A 32 32 THR CA C 59 65.550 66.287 -0.737 1 1 391 . 2 1 1 A 32 32 THR CB C 59 68.200 69.155 -0.955 1 1 393 . 2 1 1 A 32 32 THR N N 59 120.020 116.038 3.982 1 1 394 . 2 1 1 A 33 33 ASN H H 60 7.500 7.814 -0.314 1 1 395 . 2 1 1 A 33 33 ASN HA H 60 4.690 4.871 -0.181 1 1 400 . 2 1 1 A 33 33 ASN C C 60 174.230 174.944 -0.714 1 1 401 . 2 1 1 A 33 33 ASN CA C 60 51.650 51.637 0.013 1 1 402 . 2 1 1 A 33 33 ASN CB C 60 37.870 38.059 -0.189 1 1 403 . 2 1 1 A 33 33 ASN N N 60 117.490 113.682 3.808 1 1 405 . 2 1 1 A 34 34 LYS H H 61 7.580 7.910 -0.330 1 1 406 . 2 1 1 A 34 34 LYS HA H 61 3.500 3.935 -0.435 1 1 415 . 2 1 1 A 34 34 LYS C C 61 172.880 174.734 -1.854 1 1 416 . 2 1 1 A 34 34 LYS CA C 61 57.160 57.066 0.094 1 1 417 . 2 1 1 A 34 34 LYS CB C 61 28.540 30.110 -1.570 1 1 421 . 2 1 1 A 34 34 LYS N N 61 118.030 115.085 2.945 1 1 422 . 2 1 1 A 35 35 SER H H 62 8.560 8.645 -0.085 1 1 423 . 2 1 1 A 35 35 SER HA H 62 5.670 5.455 0.215 1 1 426 . 2 1 1 A 35 35 SER C C 62 173.510 172.869 0.641 1 1 427 . 2 1 1 A 35 35 SER CA C 62 56.110 57.443 -1.333 1 1 428 . 2 1 1 A 35 35 SER CB C 62 67.800 66.501 1.299 1 1 429 . 2 1 1 A 35 35 SER N N 62 109.720 113.010 -3.290 1 1 430 . 2 1 1 A 36 36 ILE H H 63 8.750 9.112 -0.362 1 1 431 . 2 1 1 A 36 36 ILE HA H 63 4.940 4.552 0.388 1 1 441 . 2 1 1 A 36 36 ILE C C 63 174.660 175.126 -0.466 1 1 442 . 2 1 1 A 36 36 ILE CA C 63 58.180 60.527 -2.347 1 1 443 . 2 1 1 A 36 36 ILE CB C 63 40.660 37.887 2.773 1 1 447 . 2 1 1 A 36 36 ILE N N 63 117.490 125.856 -8.366 1 1 448 . 2 1 1 A 37 37 ASN H H 64 8.400 9.021 -0.621 1 1 449 . 2 1 1 A 37 37 ASN HA H 64 5.650 5.472 0.178 1 1 454 . 2 1 1 A 37 37 ASN C C 64 173.490 174.276 -0.786 1 1 455 . 2 1 1 A 37 37 ASN CA C 64 51.670 52.209 -0.539 1 1 456 . 2 1 1 A 37 37 ASN CB C 64 41.900 40.008 1.892 1 1 457 . 2 1 1 A 37 37 ASN N N 64 122.180 125.856 -3.676 1 1 459 . 2 1 1 A 38 38 VAL H H 65 8.900 8.636 0.264 1 1 460 . 2 1 1 A 38 38 VAL HA H 65 5.540 4.831 0.709 1 1 468 . 2 1 1 A 38 38 VAL C C 65 174.590 175.112 -0.522 1 1 469 . 2 1 1 A 38 38 VAL CA C 65 60.060 61.041 -0.981 1 1 470 . 2 1 1 A 38 38 VAL CB C 65 34.870 32.873 1.997 1 1 473 . 2 1 1 A 38 38 VAL N N 65 122.060 125.711 -3.651 1 1 474 . 2 1 1 A 39 39 TYR H H 66 8.910 8.796 0.114 1 1 475 . 2 1 1 A 39 39 TYR HA H 66 5.490 5.621 -0.131 1 1 482 . 2 1 1 A 39 39 TYR C C 66 172.810 173.542 -0.732 1 1 483 . 2 1 1 A 39 39 TYR CA C 66 56.220 55.709 0.511 1 1 484 . 2 1 1 A 39 39 TYR CB C 66 40.620 42.276 -1.656 1 1 489 . 2 1 1 A 39 39 TYR N N 66 123.530 124.239 -0.709 1 1 490 . 2 1 1 A 40 40 SER H H 67 8.970 9.280 -0.310 1 1 491 . 2 1 1 A 40 40 SER HA H 67 4.780 4.965 -0.185 1 1 495 . 2 1 1 A 40 40 SER C C 67 174.360 175.132 -0.772 1 1 496 . 2 1 1 A 40 40 SER CA C 67 56.580 56.708 -0.128 1 1 497 . 2 1 1 A 40 40 SER CB C 67 66.290 65.964 0.326 1 1 498 . 2 1 1 A 40 40 SER N N 67 115.210 114.509 0.701 1 1 499 . 2 1 1 A 41 41 LYS H H 68 9.020 8.748 0.272 1 1 500 . 2 1 1 A 41 41 LYS HA H 68 4.210 3.973 0.237 1 1 509 . 2 1 1 A 41 41 LYS C C 68 177.730 177.241 0.489 1 1 510 . 2 1 1 A 41 41 LYS CA C 68 59.240 59.838 -0.598 1 1 511 . 2 1 1 A 41 41 LYS CB C 68 31.660 31.952 -0.292 1 1 515 . 2 1 1 A 41 41 LYS N N 68 118.790 118.480 0.310 1 1 516 . 2 1 1 A 42 42 CYS H H 69 8.090 7.463 0.627 1 1 517 . 2 1 1 A 42 42 CYS HA H 69 4.750 4.707 0.043 1 1 520 . 2 1 1 A 42 42 CYS C C 69 173.260 174.136 -0.876 1 1 521 . 2 1 1 A 42 42 CYS CA C 69 52.780 56.879 -4.099 1 1 522 . 2 1 1 A 42 42 CYS CB C 69 39.470 44.543 -5.073 1 1 523 . 2 1 1 A 42 42 CYS N N 69 113.650 114.750 -1.100 1 1 524 . 2 1 1 A 43 43 ILE H H 70 7.550 7.867 -0.317 1 1 525 . 2 1 1 A 43 43 ILE HA H 70 5.210 4.687 0.523 1 1 535 . 2 1 1 A 43 43 ILE C C 70 171.870 175.082 -3.212 1 1 536 . 2 1 1 A 43 43 ILE CA C 70 59.800 62.270 -2.470 1 1 537 . 2 1 1 A 43 43 ILE CB C 70 42.550 38.886 3.664 1 1 541 . 2 1 1 A 43 43 ILE N N 70 118.580 121.824 -3.244 1 1 542 . 2 1 1 A 44 44 SER H H 71 8.190 8.891 -0.701 1 1 543 . 2 1 1 A 44 44 SER HA H 71 5.190 5.356 -0.166 1 1 546 . 2 1 1 A 44 44 SER C C 71 173.790 173.291 0.499 1 1 547 . 2 1 1 A 44 44 SER CA C 71 56.980 58.281 -1.301 1 1 548 . 2 1 1 A 44 44 SER CB C 71 64.910 65.324 -0.414 1 1 549 . 2 1 1 A 44 44 SER N N 71 117.640 122.012 -4.372 1 1 550 . 2 1 1 A 45 45 GLY H H 72 9.720 8.827 0.893 1 1 551 . 2 1 1 A 45 45 GLY HA2 H 72 5.280 4.453 0.827 1 1 552 . 2 1 1 A 45 45 GLY HA3 H 72 3.460 4.465 -1.005 1 1 553 . 2 1 1 A 45 45 GLY C C 72 171.300 171.715 -0.415 1 1 554 . 2 1 1 A 45 45 GLY CA C 72 45.230 45.180 0.050 1 1 555 . 2 1 1 A 45 45 GLY N N 72 114.160 113.121 1.039 1 1 556 . 2 1 1 A 46 46 LYS H H 73 8.340 8.390 -0.050 1 1 557 . 2 1 1 A 46 46 LYS HA H 73 5.530 5.305 0.225 1 1 566 . 2 1 1 A 46 46 LYS C C 73 174.510 174.804 -0.294 1 1 567 . 2 1 1 A 46 46 LYS CA C 73 54.930 55.044 -0.114 1 1 568 . 2 1 1 A 46 46 LYS CB C 73 36.420 35.178 1.242 1 1 572 . 2 1 1 A 46 46 LYS N N 73 123.520 121.774 1.746 1 1 573 . 2 1 1 A 47 47 ALA H H 74 8.440 8.586 -0.146 1 1 574 . 2 1 1 A 47 47 ALA HA H 74 4.400 5.461 -1.061 1 1 578 . 2 1 1 A 47 47 ALA C C 74 175.850 175.464 0.386 1 1 579 . 2 1 1 A 47 47 ALA CA C 74 49.860 50.272 -0.412 1 1 580 . 2 1 1 A 47 47 ALA CB C 74 20.750 22.687 -1.937 1 1 581 . 2 1 1 A 47 47 ALA N N 74 125.710 126.414 -0.704 1 1 582 . 2 1 1 A 48 48 VAL H H 75 7.840 8.060 -0.220 1 1 583 . 2 1 1 A 48 48 VAL HA H 75 4.640 4.466 0.174 1 1 591 . 2 1 1 A 48 48 VAL C C 75 176.660 174.668 1.992 1 1 592 . 2 1 1 A 48 48 VAL CA C 75 61.160 60.945 0.215 1 1 593 . 2 1 1 A 48 48 VAL CB C 75 32.180 33.825 -1.645 1 1 596 . 2 1 1 A 48 48 VAL N N 75 120.660 119.385 1.275 1 1 597 . 2 1 1 A 49 49 TYR H H 76 8.340 8.422 -0.082 1 1 598 . 2 1 1 A 49 49 TYR HA H 76 5.230 5.653 -0.423 1 1 605 . 2 1 1 A 49 49 TYR C C 76 173.480 174.597 -1.117 1 1 606 . 2 1 1 A 49 49 TYR CA C 76 54.940 55.651 -0.711 1 1 607 . 2 1 1 A 49 49 TYR CB C 76 42.030 40.725 1.305 1 1 612 . 2 1 1 A 49 49 TYR N N 76 126.510 124.925 1.585 1 1 613 . 2 1 1 A 50 50 SER H H 77 8.360 8.574 -0.214 1 1 614 . 2 1 1 A 50 50 SER HA H 77 4.560 5.328 -0.768 1 1 617 . 2 1 1 A 50 50 SER C C 77 171.180 172.812 -1.632 1 1 618 . 2 1 1 A 50 50 SER CA C 77 56.890 57.075 -0.185 1 1 619 . 2 1 1 A 50 50 SER CB C 77 65.650 66.570 -0.920 1 1 620 . 2 1 1 A 50 50 SER N N 77 111.300 116.373 -5.073 1 1 621 . 2 1 1 A 51 51 PHE H H 78 8.660 8.779 -0.119 1 1 622 . 2 1 1 A 51 51 PHE HA H 78 5.860 5.719 0.141 1 1 630 . 2 1 1 A 51 51 PHE C C 78 176.800 174.479 2.321 1 1 631 . 2 1 1 A 51 51 PHE CA C 78 56.090 56.385 -0.295 1 1 632 . 2 1 1 A 51 51 PHE CB C 78 42.280 43.581 -1.301 1 1 638 . 2 1 1 A 51 51 PHE N N 78 116.710 119.475 -2.765 1 1 639 . 2 1 1 A 52 52 ASN H H 79 9.190 9.217 -0.027 1 1 640 . 2 1 1 A 52 52 ASN HA H 79 4.900 5.121 -0.221 1 1 645 . 2 1 1 A 52 52 ASN C C 79 174.870 174.370 0.500 1 1 646 . 2 1 1 A 52 52 ASN CA C 79 53.300 52.945 0.355 1 1 647 . 2 1 1 A 52 52 ASN CB C 79 41.350 41.023 0.327 1 1 648 . 2 1 1 A 52 52 ASN N N 79 119.620 120.426 -0.806 1 1 650 . 2 1 1 A 53 53 ALA H H 80 9.650 9.266 0.384 1 1 651 . 2 1 1 A 53 53 ALA HA H 80 4.110 4.104 0.006 1 1 655 . 2 1 1 A 53 53 ALA C C 80 176.800 177.107 -0.307 1 1 656 . 2 1 1 A 53 53 ALA CA C 80 52.860 53.407 -0.547 1 1 657 . 2 1 1 A 53 53 ALA CB C 80 16.760 17.982 -1.222 1 1 658 . 2 1 1 A 53 53 ALA N N 80 131.210 129.985 1.225 1 1 659 . 2 1 1 A 54 54 GLY H H 81 8.850 8.548 0.302 1 1 660 . 2 1 1 A 54 54 GLY HA2 H 81 4.320 3.910 0.410 1 1 661 . 2 1 1 A 54 54 GLY HA3 H 81 4.220 3.928 0.292 1 1 662 . 2 1 1 A 54 54 GLY C C 81 173.950 174.114 -0.164 1 1 663 . 2 1 1 A 54 54 GLY CA C 81 45.320 45.339 -0.019 1 1 664 . 2 1 1 A 54 54 GLY N N 81 104.570 102.570 2.000 1 1 665 . 2 1 1 A 55 55 LYS H H 82 8.030 7.799 0.231 1 1 666 . 2 1 1 A 55 55 LYS HA H 82 4.910 4.473 0.437 1 1 675 . 2 1 1 A 55 55 LYS C C 82 174.120 175.820 -1.700 1 1 676 . 2 1 1 A 55 55 LYS CA C 82 54.350 56.413 -2.063 1 1 677 . 2 1 1 A 55 55 LYS CB C 82 34.010 32.509 1.501 1 1 681 . 2 1 1 A 55 55 LYS N N 82 120.230 120.551 -0.321 1 1 682 . 2 1 1 A 56 56 PHE H H 83 9.390 9.484 -0.094 1 1 683 . 2 1 1 A 56 56 PHE HA H 83 4.250 4.772 -0.522 1 1 691 . 2 1 1 A 56 56 PHE C C 83 173.870 174.177 -0.307 1 1 692 . 2 1 1 A 56 56 PHE CA C 83 56.630 56.635 -0.005 1 1 693 . 2 1 1 A 56 56 PHE CB C 83 40.940 40.924 0.016 1 1 699 . 2 1 1 A 56 56 PHE N N 83 125.150 125.699 -0.549 1 1 700 . 2 1 1 A 57 57 MET H H 84 8.270 8.813 -0.543 1 1 701 . 2 1 1 A 57 57 MET HA H 84 5.140 6.004 -0.864 1 1 709 . 2 1 1 A 57 57 MET C C 84 174.090 174.874 -0.784 1 1 710 . 2 1 1 A 57 57 MET CA C 84 53.600 53.976 -0.376 1 1 711 . 2 1 1 A 57 57 MET CB C 84 36.190 36.982 -0.792 1 1 714 . 2 1 1 A 57 57 MET N N 84 124.270 124.963 -0.693 1 1 715 . 2 1 1 A 58 58 GLY H H 85 7.420 8.318 -0.898 1 1 716 . 2 1 1 A 58 58 GLY HA2 H 85 3.900 3.798 0.102 1 1 717 . 2 1 1 A 58 58 GLY HA3 H 85 2.790 3.939 -1.149 1 1 718 . 2 1 1 A 58 58 GLY C C 85 169.900 172.163 -2.263 1 1 719 . 2 1 1 A 58 58 GLY CA C 85 45.620 44.792 0.828 1 1 720 . 2 1 1 A 58 58 GLY N N 85 103.440 108.212 -4.772 1 1 721 . 2 1 1 A 59 59 ASN H H 86 8.410 8.937 -0.527 1 1 722 . 2 1 1 A 59 59 ASN HA H 86 4.890 4.804 0.086 1 1 727 . 2 1 1 A 59 59 ASN C C 86 174.650 174.790 -0.140 1 1 728 . 2 1 1 A 59 59 ASN CA C 86 51.110 53.170 -2.060 1 1 729 . 2 1 1 A 59 59 ASN CB C 86 38.140 38.853 -0.713 1 1 730 . 2 1 1 A 59 59 ASN N N 86 122.270 123.299 -1.029 1 1 732 . 2 1 1 A 60 60 PHE H H 87 8.870 8.908 -0.038 1 1 733 . 2 1 1 A 60 60 PHE HA H 87 4.120 5.031 -0.911 1 1 741 . 2 1 1 A 60 60 PHE C C 87 175.620 174.899 0.721 1 1 742 . 2 1 1 A 60 60 PHE CA C 87 58.850 57.232 1.618 1 1 743 . 2 1 1 A 60 60 PHE CB C 87 39.910 40.967 -1.057 1 1 749 . 2 1 1 A 60 60 PHE N N 87 123.420 126.178 -2.758 1 1 750 . 2 1 1 A 61 61 ASN H H 88 8.610 9.088 -0.478 1 1 751 . 2 1 1 A 61 61 ASN HA H 88 4.900 5.070 -0.170 1 1 756 . 2 1 1 A 61 61 ASN C C 88 175.090 174.057 1.033 1 1 757 . 2 1 1 A 61 61 ASN CA C 88 52.690 52.479 0.211 1 1 758 . 2 1 1 A 61 61 ASN CB C 88 39.830 38.569 1.261 1 1 759 . 2 1 1 A 61 61 ASN N N 88 121.520 119.677 1.843 1 1 761 . 2 1 1 A 62 62 VAL H H 89 8.890 8.612 0.278 1 1 762 . 2 1 1 A 62 62 VAL HA H 89 4.820 4.669 0.151 1 1 770 . 2 1 1 A 62 62 VAL C C 89 174.650 174.587 0.063 1 1 771 . 2 1 1 A 62 62 VAL CA C 89 60.870 61.446 -0.576 1 1 772 . 2 1 1 A 62 62 VAL CB C 89 34.690 33.659 1.031 1 1 775 . 2 1 1 A 62 62 VAL N N 89 123.750 124.453 -0.703 1 1 776 . 2 1 1 A 63 63 LYS H H 90 8.750 9.289 -0.539 1 1 777 . 2 1 1 A 63 63 LYS HA H 90 4.670 4.880 -0.210 1 1 786 . 2 1 1 A 63 63 LYS C C 90 174.990 175.519 -0.529 1 1 787 . 2 1 1 A 63 63 LYS CA C 90 55.010 55.389 -0.379 1 1 788 . 2 1 1 A 63 63 LYS CB C 90 34.030 33.780 0.250 1 1 792 . 2 1 1 A 63 63 LYS N N 90 126.210 127.988 -1.778 1 1 793 . 2 1 1 A 64 64 GLU H H 91 9.170 8.922 0.248 1 1 794 . 2 1 1 A 64 64 GLU HA H 91 5.020 5.120 -0.100 1 1 799 . 2 1 1 A 64 64 GLU C C 91 175.680 175.159 0.521 1 1 800 . 2 1 1 A 64 64 GLU CA C 91 54.400 55.140 -0.740 1 1 801 . 2 1 1 A 64 64 GLU CB C 91 32.690 33.703 -1.013 1 1 803 . 2 1 1 A 64 64 GLU N N 91 128.500 127.104 1.396 1 1 804 . 2 1 1 A 65 65 VAL H H 92 8.330 9.328 -0.998 1 1 805 . 2 1 1 A 65 65 VAL HA H 92 3.880 5.118 -1.238 1 1 813 . 2 1 1 A 65 65 VAL C C 92 175.940 173.596 2.344 1 1 814 . 2 1 1 A 65 65 VAL CA C 92 62.290 60.044 2.246 1 1 815 . 2 1 1 A 65 65 VAL CB C 92 32.080 34.725 -2.645 1 1 818 . 2 1 1 A 65 65 VAL N N 92 126.870 119.655 7.215 1 1 819 . 2 1 1 A 66 66 ASP H H 93 8.810 8.861 -0.051 1 1 820 . 2 1 1 A 66 66 ASP HA H 93 4.440 5.384 -0.944 1 1 823 . 2 1 1 A 66 66 ASP C C 93 177.330 176.923 0.407 1 1 824 . 2 1 1 A 66 66 ASP CA C 93 55.950 52.556 3.394 1 1 825 . 2 1 1 A 66 66 ASP CB C 93 40.760 43.895 -3.135 1 1 826 . 2 1 1 A 66 66 ASP N N 93 130.720 124.054 6.666 1 1 827 . 2 1 1 A 67 67 GLY H H 94 8.910 8.817 0.093 1 1 828 . 2 1 1 A 67 67 GLY HA2 H 94 4.020 3.929 0.091 1 1 829 . 2 1 1 A 67 67 GLY HA3 H 94 3.820 3.938 -0.118 1 1 830 . 2 1 1 A 67 67 GLY C C 94 173.530 174.602 -1.072 1 1 831 . 2 1 1 A 67 67 GLY CA C 94 45.830 45.065 0.765 1 1 832 . 2 1 1 A 67 67 GLY N N 94 112.760 112.887 -0.127 1 1 833 . 2 1 1 A 68 68 CYS H H 95 7.540 7.959 -0.419 1 1 834 . 2 1 1 A 68 68 CYS HA H 95 4.260 4.294 -0.034 1 1 837 . 2 1 1 A 68 68 CYS C C 95 175.640 175.120 0.520 1 1 838 . 2 1 1 A 68 68 CYS CA C 95 58.280 58.833 -0.553 1 1 839 . 2 1 1 A 68 68 CYS CB C 95 38.240 42.255 -4.015 1 1 840 . 2 1 1 A 68 68 CYS N N 95 119.700 119.715 -0.015 1 1 841 . 2 1 1 A 69 69 PHE H H 96 8.850 7.714 1.136 1 1 842 . 2 1 1 A 69 69 PHE HA H 96 5.010 4.673 0.337 1 1 850 . 2 1 1 A 69 69 PHE C C 96 177.330 175.340 1.990 1 1 851 . 2 1 1 A 69 69 PHE CA C 96 56.460 57.584 -1.124 1 1 852 . 2 1 1 A 69 69 PHE CB C 96 40.020 38.865 1.155 1 1 858 . 2 1 1 A 69 69 PHE N N 96 117.790 117.375 0.415 1 1 859 . 2 1 1 A 70 70 MET H H 97 8.710 8.284 0.426 1 1 860 . 2 1 1 A 70 70 MET HA H 97 4.700 4.150 0.550 1 1 868 . 2 1 1 A 70 70 MET C C 97 177.650 176.009 1.641 1 1 869 . 2 1 1 A 70 70 MET CA C 97 54.570 57.609 -3.039 1 1 870 . 2 1 1 A 70 70 MET CB C 97 33.990 31.395 2.595 1 1 873 . 2 1 1 A 70 70 MET N N 97 119.890 115.699 4.191 1 1 874 . 2 1 1 A 71 71 ASP H H 98 8.980 8.650 0.330 1 1 875 . 2 1 1 A 71 71 ASP HA H 98 4.280 4.849 -0.569 1 1 878 . 2 1 1 A 71 71 ASP C C 98 177.920 177.015 0.905 1 1 879 . 2 1 1 A 71 71 ASP CA C 98 58.380 55.348 3.032 1 1 880 . 2 1 1 A 71 71 ASP CB C 98 40.100 43.239 -3.139 1 1 881 . 2 1 1 A 71 71 ASP N N 98 123.440 124.527 -1.087 1 1 882 . 2 1 1 A 72 72 ALA H H 99 8.950 8.064 0.886 1 1 883 . 2 1 1 A 72 72 ALA HA H 99 4.030 4.120 -0.090 1 1 887 . 2 1 1 A 72 72 ALA C C 99 180.740 179.606 1.134 1 1 888 . 2 1 1 A 72 72 ALA CA C 99 55.020 54.408 0.612 1 1 889 . 2 1 1 A 72 72 ALA CB C 99 18.280 18.498 -0.218 1 1 890 . 2 1 1 A 72 72 ALA N N 99 119.200 122.260 -3.060 1 1 891 . 2 1 1 A 73 73 GLN H H 100 7.120 7.781 -0.661 1 1 892 . 2 1 1 A 73 73 GLN HA H 100 4.020 4.731 -0.711 1 1 899 . 2 1 1 A 73 73 GLN C C 100 176.880 178.277 -1.397 1 1 900 . 2 1 1 A 73 73 GLN CA C 100 57.720 58.764 -1.044 1 1 901 . 2 1 1 A 73 73 GLN CB C 100 28.940 28.462 0.478 1 1 903 . 2 1 1 A 73 73 GLN N N 100 115.380 117.834 -2.454 1 1 905 . 2 1 1 A 74 74 LYS H H 101 7.760 7.813 -0.053 1 1 906 . 2 1 1 A 74 74 LYS HA H 101 3.510 4.011 -0.501 1 1 915 . 2 1 1 A 74 74 LYS C C 101 177.610 178.513 -0.903 1 1 916 . 2 1 1 A 74 74 LYS CA C 101 58.500 59.166 -0.666 1 1 917 . 2 1 1 A 74 74 LYS CB C 101 31.790 32.293 -0.503 1 1 921 . 2 1 1 A 74 74 LYS N N 101 119.560 121.017 -1.457 1 1 922 . 2 1 1 A 75 75 ILE H H 102 7.760 8.057 -0.297 1 1 923 . 2 1 1 A 75 75 ILE HA H 102 3.750 3.597 0.153 1 1 933 . 2 1 1 A 75 75 ILE C C 102 178.530 177.635 0.895 1 1 934 . 2 1 1 A 75 75 ILE CA C 102 64.200 65.552 -1.352 1 1 935 . 2 1 1 A 75 75 ILE CB C 102 38.170 37.585 0.585 1 1 939 . 2 1 1 A 75 75 ILE N N 102 117.490 119.893 -2.403 1 1 940 . 2 1 1 A 76 76 ALA H H 103 7.090 8.756 -1.666 1 1 941 . 2 1 1 A 76 76 ALA HA H 103 3.990 3.824 0.166 1 1 945 . 2 1 1 A 76 76 ALA C C 103 178.650 180.355 -1.705 1 1 946 . 2 1 1 A 76 76 ALA CA C 103 55.020 55.216 -0.196 1 1 947 . 2 1 1 A 76 76 ALA CB C 103 18.570 18.328 0.242 1 1 948 . 2 1 1 A 76 76 ALA N N 103 121.190 121.851 -0.661 1 1 949 . 2 1 1 A 77 77 ILE H H 104 8.150 7.724 0.426 1 1 950 . 2 1 1 A 77 77 ILE HA H 104 3.420 3.454 -0.034 1 1 960 . 2 1 1 A 77 77 ILE C C 104 176.670 177.180 -0.510 1 1 961 . 2 1 1 A 77 77 ILE CA C 104 63.130 64.680 -1.550 1 1 962 . 2 1 1 A 77 77 ILE CB C 104 36.680 36.495 0.185 1 1 966 . 2 1 1 A 77 77 ILE N N 104 119.240 118.601 0.639 1 1 967 . 2 1 1 A 78 78 ASP H H 105 8.290 8.481 -0.191 1 1 968 . 2 1 1 A 78 78 ASP HA H 105 4.440 4.209 0.231 1 1 971 . 2 1 1 A 78 78 ASP C C 105 180.350 178.425 1.925 1 1 972 . 2 1 1 A 78 78 ASP CA C 105 57.440 57.856 -0.416 1 1 973 . 2 1 1 A 78 78 ASP CB C 105 39.430 41.957 -2.527 1 1 974 . 2 1 1 A 78 78 ASP N N 105 121.080 121.657 -0.577 1 1 975 . 2 1 1 A 79 79 LYS H H 106 7.960 8.028 -0.068 1 1 976 . 2 1 1 A 79 79 LYS HA H 106 4.010 3.969 0.041 1 1 985 . 2 1 1 A 79 79 LYS C C 106 178.580 179.003 -0.423 1 1 986 . 2 1 1 A 79 79 LYS CA C 106 59.780 59.214 0.566 1 1 987 . 2 1 1 A 79 79 LYS CB C 106 31.800 32.161 -0.361 1 1 991 . 2 1 1 A 79 79 LYS N N 106 121.340 118.633 2.707 1 1 992 . 2 1 1 A 80 80 LEU H H 107 8.230 8.184 0.046 1 1 993 . 2 1 1 A 80 80 LEU HA H 107 3.990 4.207 -0.217 1 1 1003 . 2 1 1 A 80 80 LEU C C 107 178.230 178.433 -0.203 1 1 1004 . 2 1 1 A 80 80 LEU CA C 107 58.570 58.203 0.367 1 1 1005 . 2 1 1 A 80 80 LEU CB C 107 41.110 41.318 -0.208 1 1 1009 . 2 1 1 A 80 80 LEU N N 107 123.530 121.106 2.424 1 1 1010 . 2 1 1 A 81 81 PHE H H 108 8.050 8.355 -0.305 1 1 1011 . 2 1 1 A 81 81 PHE HA H 108 4.350 3.934 0.416 1 1 1019 . 2 1 1 A 81 81 PHE C C 108 179.570 178.998 0.572 1 1 1020 . 2 1 1 A 81 81 PHE CA C 108 61.070 60.332 0.738 1 1 1021 . 2 1 1 A 81 81 PHE CB C 108 37.010 38.225 -1.215 1 1 1027 . 2 1 1 A 81 81 PHE N N 108 116.720 117.782 -1.062 1 1 1028 . 2 1 1 A 82 82 SER H H 109 8.410 8.527 -0.117 1 1 1029 . 2 1 1 A 82 82 SER HA H 109 4.360 4.340 0.020 1 1 1032 . 2 1 1 A 82 82 SER C C 109 176.200 177.608 -1.408 1 1 1033 . 2 1 1 A 82 82 SER CA C 109 61.830 61.451 0.379 1 1 1034 . 2 1 1 A 82 82 SER CB C 109 62.570 62.640 -0.070 1 1 1035 . 2 1 1 A 82 82 SER N N 109 118.120 116.360 1.760 1 1 1036 . 2 1 1 A 83 83 MET H H 110 8.420 8.186 0.234 1 1 1037 . 2 1 1 A 83 83 MET HA H 110 4.210 4.136 0.074 1 1 1043 . 2 1 1 A 83 83 MET C C 110 178.260 178.833 -0.573 1 1 1044 . 2 1 1 A 83 83 MET CA C 110 59.170 59.014 0.156 1 1 1045 . 2 1 1 A 83 83 MET CB C 110 31.240 32.751 -1.511 1 1 1047 . 2 1 1 A 83 83 MET N N 110 123.040 120.486 2.554 1 1 1048 . 2 1 1 A 84 84 LEU H H 111 8.080 8.124 -0.044 1 1 1049 . 2 1 1 A 84 84 LEU HA H 111 4.140 4.046 0.094 1 1 1059 . 2 1 1 A 84 84 LEU C C 111 178.030 178.844 -0.814 1 1 1060 . 2 1 1 A 84 84 LEU CA C 111 57.390 58.210 -0.820 1 1 1061 . 2 1 1 A 84 84 LEU CB C 111 41.430 41.728 -0.298 1 1 1065 . 2 1 1 A 84 84 LEU N N 111 117.910 119.877 -1.967 1 1 1066 . 2 1 1 A 85 85 LYS H H 112 7.640 7.653 -0.013 1 1 1067 . 2 1 1 A 85 85 LYS HA H 112 4.110 4.166 -0.056 1 1 1076 . 2 1 1 A 85 85 LYS C C 112 177.650 177.712 -0.062 1 1 1077 . 2 1 1 A 85 85 LYS CA C 112 58.750 59.070 -0.320 1 1 1078 . 2 1 1 A 85 85 LYS CB C 112 32.240 32.392 -0.152 1 1 1082 . 2 1 1 A 85 85 LYS N N 112 119.340 117.825 1.515 1 1 1083 . 2 1 1 A 86 86 ASP H H 113 7.350 7.629 -0.279 1 1 1084 . 2 1 1 A 86 86 ASP HA H 113 4.570 4.704 -0.134 1 1 1087 . 2 1 1 A 86 86 ASP C C 113 176.950 176.446 0.504 1 1 1088 . 2 1 1 A 86 86 ASP CA C 113 55.770 54.185 1.585 1 1 1089 . 2 1 1 A 86 86 ASP CB C 113 42.420 41.431 0.989 1 1 1090 . 2 1 1 A 86 86 ASP N N 113 117.210 117.547 -0.337 1 1 1091 . 2 1 1 A 87 87 GLY H H 114 7.760 7.860 -0.100 1 1 1092 . 2 1 1 A 87 87 GLY HA2 H 114 4.380 4.072 0.308 1 1 1093 . 2 1 1 A 87 87 GLY HA3 H 114 4.380 4.091 0.289 1 1 1094 . 2 1 1 A 87 87 GLY C C 114 173.000 174.025 -1.025 1 1 1095 . 2 1 1 A 87 87 GLY CA C 114 44.490 45.344 -0.854 1 1 1096 . 2 1 1 A 87 87 GLY N N 114 107.740 106.859 0.881 1 1 1097 . 2 1 1 A 88 88 VAL H H 115 9.350 8.949 0.401 1 1 1098 . 2 1 1 A 88 88 VAL HA H 115 4.960 4.774 0.186 1 1 1106 . 2 1 1 A 88 88 VAL C C 115 173.100 174.453 -1.353 1 1 1107 . 2 1 1 A 88 88 VAL CA C 115 58.650 61.949 -3.299 1 1 1108 . 2 1 1 A 88 88 VAL CB C 115 35.910 33.425 2.485 1 1 1111 . 2 1 1 A 88 88 VAL N N 115 118.050 124.367 -6.317 1 1 1112 . 2 1 1 A 89 89 VAL H H 116 9.000 9.669 -0.669 1 1 1113 . 2 1 1 A 89 89 VAL HA H 116 4.550 4.962 -0.412 1 1 1121 . 2 1 1 A 89 89 VAL C C 116 174.640 174.719 -0.079 1 1 1122 . 2 1 1 A 89 89 VAL CA C 116 61.360 59.974 1.386 1 1 1123 . 2 1 1 A 89 89 VAL CB C 116 33.760 34.269 -0.509 1 1 1126 . 2 1 1 A 89 89 VAL N N 116 121.030 127.704 -6.674 1 1 1127 . 2 1 1 A 90 90 LEU H H 117 8.950 8.813 0.137 1 1 1128 . 2 1 1 A 90 90 LEU HA H 117 5.160 5.447 -0.287 1 1 1138 . 2 1 1 A 90 90 LEU C C 117 176.150 176.654 -0.504 1 1 1139 . 2 1 1 A 90 90 LEU CA C 117 52.230 54.324 -2.094 1 1 1140 . 2 1 1 A 90 90 LEU CB C 117 44.280 42.158 2.122 1 1 1144 . 2 1 1 A 90 90 LEU N N 117 125.420 129.529 -4.109 1 1 1145 . 2 1 1 A 91 91 LYS H H 118 8.280 8.212 0.068 1 1 1146 . 2 1 1 A 91 91 LYS HA H 118 4.900 4.530 0.370 1 1 1155 . 2 1 1 A 91 91 LYS C C 118 175.300 175.327 -0.027 1 1 1156 . 2 1 1 A 91 91 LYS CA C 118 53.810 55.301 -1.491 1 1 1157 . 2 1 1 A 91 91 LYS CB C 118 36.840 36.840 0.000 1 1 1161 . 2 1 1 A 91 91 LYS N N 118 119.720 121.628 -1.908 1 1 1162 . 2 1 1 A 92 92 GLY H H 119 9.030 8.306 0.724 1 1 1163 . 2 1 1 A 92 92 GLY HA2 H 119 3.750 4.234 -0.484 1 1 1164 . 2 1 1 A 92 92 GLY HA3 H 119 3.750 4.244 -0.494 1 1 1165 . 2 1 1 A 92 92 GLY CA C 119 43.980 46.113 -2.133 1 1 1166 . 2 1 1 A 92 92 GLY N N 119 109.730 108.865 0.865 1 1 1167 . 2 1 1 A 94 94 LYS HA H 121 4.760 3.759 1.001 1 1 1168 . 2 1 1 A 95 95 ILE H H 122 7.700 7.754 -0.054 1 1 1169 . 2 1 1 A 95 95 ILE HA H 122 4.160 4.799 -0.639 1 1 1179 . 2 1 1 A 95 95 ILE CA C 122 61.270 59.381 1.889 1 1 1180 . 2 1 1 A 95 95 ILE CB C 122 37.590 41.930 -4.340 1 1 1184 . 2 1 1 A 95 95 ILE N N 122 117.400 118.829 -1.429 1 1 1185 . 2 1 1 A 98 98 THR HA H 125 5.810 4.688 1.122 1 1 1190 . 2 1 1 A 98 98 THR CA C 125 61.740 60.903 0.837 1 1 1191 . 2 1 1 A 98 98 THR CB C 125 73.450 72.364 1.086 1 1 1193 . 2 1 1 A 99 99 ILE HA H 126 4.630 4.702 -0.072 1 1 1203 . 2 1 1 A 99 99 ILE C C 126 174.430 175.047 -0.617 1 1 1204 . 2 1 1 A 99 99 ILE CA C 126 59.980 59.660 0.320 1 1 1205 . 2 1 1 A 99 99 ILE CB C 126 40.970 39.669 1.301 1 1 1209 . 2 1 1 A 100 100 LEU H H 127 9.530 8.666 0.864 1 1 1210 . 2 1 1 A 100 100 LEU HA H 127 4.420 5.064 -0.644 1 1 1220 . 2 1 1 A 100 100 LEU C C 127 174.930 175.478 -0.548 1 1 1221 . 2 1 1 A 100 100 LEU CA C 127 54.030 53.535 0.495 1 1 1222 . 2 1 1 A 100 100 LEU CB C 127 42.520 45.666 -3.146 1 1 1226 . 2 1 1 A 100 100 LEU N N 127 127.300 125.521 1.779 1 1 1227 . 2 1 1 A 101 101 ILE H H 128 8.260 8.980 -0.720 1 1 1228 . 2 1 1 A 101 101 ILE HA H 128 4.320 4.725 -0.405 1 1 1238 . 2 1 1 A 101 101 ILE C C 128 173.880 174.559 -0.679 1 1 1239 . 2 1 1 A 101 101 ILE CA C 128 60.900 60.278 0.622 1 1 1240 . 2 1 1 A 101 101 ILE CB C 128 37.410 38.908 -1.498 1 1 1244 . 2 1 1 A 101 101 ILE N N 128 119.990 123.242 -3.252 1 1 1245 . 2 1 1 A 102 102 GLU H H 129 9.580 8.725 0.855 1 1 1246 . 2 1 1 A 102 102 GLU HA H 129 5.120 5.241 -0.121 1 1 1251 . 2 1 1 A 102 102 GLU C C 129 174.240 174.743 -0.503 1 1 1252 . 2 1 1 A 102 102 GLU CA C 129 54.050 54.805 -0.755 1 1 1253 . 2 1 1 A 102 102 GLU CB C 129 33.630 33.700 -0.070 1 1 1255 . 2 1 1 A 102 102 GLU N N 129 129.780 130.086 -0.306 1 1 1256 . 2 1 1 A 103 103 LYS H H 130 8.680 8.418 0.262 1 1 1257 . 2 1 1 A 103 103 LYS HA H 130 4.720 4.882 -0.162 1 1 1264 . 2 1 1 A 103 103 LYS C C 130 175.280 174.804 0.476 1 1 1265 . 2 1 1 A 103 103 LYS CA C 130 55.190 55.163 0.027 1 1 1266 . 2 1 1 A 103 103 LYS CB C 130 36.750 35.813 0.937 1 1 1270 . 2 1 1 A 103 103 LYS N N 130 123.420 123.690 -0.270 1 1 1271 . 2 1 1 A 104 104 ASP H H 131 9.530 9.331 0.199 1 1 1272 . 2 1 1 A 104 104 ASP HA H 131 4.290 4.373 -0.083 1 1 1275 . 2 1 1 A 104 104 ASP C C 131 176.090 176.303 -0.213 1 1 1276 . 2 1 1 A 104 104 ASP CA C 131 55.370 55.348 0.022 1 1 1277 . 2 1 1 A 104 104 ASP CB C 131 39.260 39.213 0.047 1 1 1278 . 2 1 1 A 104 104 ASP N N 131 127.440 120.689 6.751 1 1 1279 . 2 1 1 A 105 105 GLY H H 132 8.970 8.558 0.412 1 1 1280 . 2 1 1 A 105 105 GLY HA2 H 132 4.090 3.853 0.237 1 1 1281 . 2 1 1 A 105 105 GLY HA3 H 132 3.550 3.854 -0.304 1 1 1282 . 2 1 1 A 105 105 GLY C C 132 173.130 173.489 -0.359 1 1 1283 . 2 1 1 A 105 105 GLY CA C 132 45.230 45.444 -0.214 1 1 1284 . 2 1 1 A 105 105 GLY N N 132 103.820 104.842 -1.022 1 1 1285 . 2 1 1 A 106 106 GLU H H 133 7.720 7.726 -0.006 1 1 1286 . 2 1 1 A 106 106 GLU HA H 133 4.720 4.898 -0.178 1 1 1291 . 2 1 1 A 106 106 GLU C C 133 174.940 174.818 0.122 1 1 1292 . 2 1 1 A 106 106 GLU CA C 133 53.770 54.468 -0.698 1 1 1293 . 2 1 1 A 106 106 GLU CB C 133 32.820 32.773 0.047 1 1 1295 . 2 1 1 A 106 106 GLU N N 133 120.200 115.525 4.675 1 1 1296 . 2 1 1 A 107 107 VAL H H 134 8.900 8.734 0.166 1 1 1297 . 2 1 1 A 107 107 VAL HA H 134 3.760 4.297 -0.537 1 1 1305 . 2 1 1 A 107 107 VAL C C 134 175.340 175.993 -0.653 1 1 1306 . 2 1 1 A 107 107 VAL CA C 134 64.230 61.470 2.760 1 1 1307 . 2 1 1 A 107 107 VAL CB C 134 31.160 32.824 -1.664 1 1 1310 . 2 1 1 A 107 107 VAL N N 134 125.990 122.660 3.330 1 1 1311 . 2 1 1 A 108 108 LYS H H 135 9.250 8.467 0.783 1 1 1312 . 2 1 1 A 108 108 LYS HA H 135 4.810 4.535 0.275 1 1 1321 . 2 1 1 A 108 108 LYS C C 135 174.390 175.514 -1.124 1 1 1322 . 2 1 1 A 108 108 LYS CA C 135 54.740 55.721 -0.981 1 1 1323 . 2 1 1 A 108 108 LYS CB C 135 34.690 33.689 1.001 1 1 1327 . 2 1 1 A 108 108 LYS N N 135 126.060 124.098 1.962 1 1 1328 . 2 1 1 A 109 109 LEU H H 136 7.690 7.210 0.480 1 1 1329 . 2 1 1 A 109 109 LEU HA H 136 4.820 5.227 -0.407 1 1 1339 . 2 1 1 A 109 109 LEU C C 136 172.450 174.247 -1.797 1 1 1340 . 2 1 1 A 109 109 LEU CA C 136 53.250 53.392 -0.142 1 1 1341 . 2 1 1 A 109 109 LEU CB C 136 47.800 44.471 3.329 1 1 1345 . 2 1 1 A 109 109 LEU N N 136 116.670 120.243 -3.573 1 1 1346 . 2 1 1 A 110 110 LYS H H 137 9.170 8.693 0.477 1 1 1347 . 2 1 1 A 110 110 LYS HA H 137 5.050 4.904 0.146 1 1 1356 . 2 1 1 A 110 110 LYS C C 137 172.760 174.194 -1.434 1 1 1357 . 2 1 1 A 110 110 LYS CA C 137 54.090 54.725 -0.635 1 1 1358 . 2 1 1 A 110 110 LYS CB C 137 36.560 35.817 0.743 1 1 1362 . 2 1 1 A 110 110 LYS N N 137 117.050 120.547 -3.497 1 1 1363 . 2 1 1 A 111 111 LEU H H 138 9.400 8.948 0.452 1 1 1364 . 2 1 1 A 111 111 LEU HA H 138 5.250 4.819 0.431 1 1 1374 . 2 1 1 A 111 111 LEU C C 138 176.470 176.821 -0.351 1 1 1375 . 2 1 1 A 111 111 LEU CA C 138 52.230 53.567 -1.337 1 1 1376 . 2 1 1 A 111 111 LEU CB C 138 42.810 41.757 1.053 1 1 1380 . 2 1 1 A 111 111 LEU N N 138 121.800 122.309 -0.509 1 1 1381 . 2 1 1 A 112 112 ILE H H 139 9.080 9.181 -0.101 1 1 1382 . 2 1 1 A 112 112 ILE HA H 139 5.420 4.353 1.067 1 1 1392 . 2 1 1 A 112 112 ILE C C 139 175.710 174.526 1.184 1 1 1393 . 2 1 1 A 112 112 ILE CA C 139 59.170 63.055 -3.885 1 1 1394 . 2 1 1 A 112 112 ILE CB C 139 41.010 37.114 3.896 1 1 1398 . 2 1 1 A 112 112 ILE N N 139 120.350 120.191 0.159 1 1 1399 . 2 1 1 A 113 113 ARG H H 140 8.550 8.680 -0.130 1 1 1400 . 2 1 1 A 113 113 ARG HA H 140 3.940 4.485 -0.545 1 1 1403 . 2 1 1 A 113 113 ARG C C 140 176.030 175.742 0.288 1 1 1404 . 2 1 1 A 113 113 ARG CA C 140 56.180 55.511 0.669 1 1 1405 . 2 1 1 A 113 113 ARG CB C 140 30.770 29.208 1.562 1 1 1408 . 2 1 1 A 113 113 ARG N N 140 127.710 126.467 1.243 1 1 1409 . 2 1 1 A 114 114 GLY H H 141 8.530 8.043 0.487 1 1 1410 . 2 1 1 A 114 114 GLY HA2 H 141 4.000 4.053 -0.053 1 1 1411 . 2 1 1 A 114 114 GLY HA3 H 141 3.820 4.068 -0.248 1 1 1412 . 2 1 1 A 114 114 GLY C C 141 172.650 174.481 -1.831 1 1 1413 . 2 1 1 A 114 114 GLY CA C 141 45.100 44.774 0.326 1 1 1414 . 2 1 1 A 114 114 GLY N N 141 111.410 112.382 -0.972 1 1 1 . 3 1 1 A 2 2 SER HA H 29 4.540 4.386 0.154 1 1 4 . 3 1 1 A 2 2 SER C C 29 174.370 175.097 -0.727 1 1 5 . 3 1 1 A 2 2 SER CA C 29 58.380 60.462 -2.082 1 1 6 . 3 1 1 A 2 2 SER CB C 29 63.670 63.791 -0.121 1 1 7 . 3 1 1 A 3 3 SER H H 30 8.530 7.995 0.535 1 1 8 . 3 1 1 A 3 3 SER HA H 30 4.480 4.863 -0.383 1 1 11 . 3 1 1 A 3 3 SER C C 30 174.610 174.397 0.213 1 1 12 . 3 1 1 A 3 3 SER CA C 30 58.380 60.492 -2.112 1 1 13 . 3 1 1 A 3 3 SER CB C 30 63.690 63.537 0.153 1 1 14 . 3 1 1 A 3 3 SER N N 30 117.760 117.240 0.520 1 1 15 . 3 1 1 A 4 4 ASN H H 31 8.600 8.624 -0.024 1 1 16 . 3 1 1 A 4 4 ASN HA H 31 4.710 4.997 -0.287 1 1 21 . 3 1 1 A 4 4 ASN C C 31 175.840 175.143 0.697 1 1 22 . 3 1 1 A 4 4 ASN CA C 31 53.880 52.830 1.050 1 1 23 . 3 1 1 A 4 4 ASN CB C 31 38.520 38.392 0.128 1 1 24 . 3 1 1 A 4 4 ASN N N 31 120.910 124.781 -3.871 1 1 26 . 3 1 1 A 5 5 SER H H 32 8.360 8.547 -0.187 1 1 27 . 3 1 1 A 5 5 SER HA H 32 4.420 4.616 -0.196 1 1 30 . 3 1 1 A 5 5 SER C C 32 174.700 175.568 -0.868 1 1 31 . 3 1 1 A 5 5 SER CA C 32 59.310 59.654 -0.344 1 1 32 . 3 1 1 A 5 5 SER CB C 32 63.410 63.673 -0.263 1 1 33 . 3 1 1 A 5 5 SER N N 32 115.920 118.709 -2.789 1 1 34 . 3 1 1 A 6 6 GLU H H 33 8.370 7.868 0.502 1 1 35 . 3 1 1 A 6 6 GLU HA H 33 4.530 4.368 0.162 1 1 40 . 3 1 1 A 6 6 GLU C C 33 176.390 176.798 -0.408 1 1 41 . 3 1 1 A 6 6 GLU CA C 33 56.510 57.708 -1.198 1 1 42 . 3 1 1 A 6 6 GLU CB C 33 29.850 29.355 0.495 1 1 44 . 3 1 1 A 6 6 GLU N N 33 121.670 118.504 3.166 1 1 45 . 3 1 1 A 7 7 LYS H H 34 8.120 7.443 0.677 1 1 46 . 3 1 1 A 7 7 LYS HA H 34 4.370 3.859 0.511 1 1 55 . 3 1 1 A 7 7 LYS C C 34 176.060 175.491 0.569 1 1 56 . 3 1 1 A 7 7 LYS CA C 34 56.140 56.154 -0.014 1 1 57 . 3 1 1 A 7 7 LYS CB C 34 33.200 32.547 0.653 1 1 61 . 3 1 1 A 7 7 LYS N N 34 121.020 122.349 -1.329 1 1 62 . 3 1 1 A 8 8 GLU H H 35 8.550 8.417 0.133 1 1 63 . 3 1 1 A 8 8 GLU HA H 35 4.830 4.516 0.314 1 1 68 . 3 1 1 A 8 8 GLU C C 35 175.050 174.846 0.204 1 1 69 . 3 1 1 A 8 8 GLU CA C 35 56.390 55.923 0.467 1 1 70 . 3 1 1 A 8 8 GLU CB C 35 31.340 29.975 1.365 1 1 72 . 3 1 1 A 8 8 GLU N N 35 122.450 123.868 -1.418 1 1 73 . 3 1 1 A 9 9 TRP H H 36 9.680 8.832 0.848 1 1 74 . 3 1 1 A 9 9 TRP HA H 36 4.860 5.123 -0.263 1 1 80 . 3 1 1 A 9 9 TRP C C 36 175.390 175.784 -0.394 1 1 81 . 3 1 1 A 9 9 TRP CA C 36 55.890 56.237 -0.347 1 1 82 . 3 1 1 A 9 9 TRP CB C 36 30.810 31.037 -0.227 1 1 85 . 3 1 1 A 9 9 TRP N N 36 122.800 126.810 -4.010 1 1 87 . 3 1 1 A 10 10 HIS H H 37 9.690 9.159 0.531 1 1 88 . 3 1 1 A 10 10 HIS HA H 37 4.990 5.156 -0.166 1 1 93 . 3 1 1 A 10 10 HIS C C 37 174.840 174.587 0.253 1 1 94 . 3 1 1 A 10 10 HIS CA C 37 54.720 54.762 -0.042 1 1 95 . 3 1 1 A 10 10 HIS CB C 37 29.840 31.702 -1.862 1 1 98 . 3 1 1 A 10 10 HIS N N 37 120.400 121.189 -0.789 1 1 99 . 3 1 1 A 11 11 ILE H H 38 7.740 8.674 -0.934 1 1 100 . 3 1 1 A 11 11 ILE HA H 38 4.360 4.622 -0.262 1 1 110 . 3 1 1 A 11 11 ILE C C 38 175.030 175.558 -0.528 1 1 111 . 3 1 1 A 11 11 ILE CA C 38 62.110 61.931 0.179 1 1 112 . 3 1 1 A 11 11 ILE CB C 38 37.590 37.788 -0.198 1 1 116 . 3 1 1 A 11 11 ILE N N 38 121.700 125.000 -3.300 1 1 117 . 3 1 1 A 12 12 VAL H H 39 9.370 9.104 0.266 1 1 118 . 3 1 1 A 12 12 VAL HA H 39 4.690 4.482 0.208 1 1 126 . 3 1 1 A 12 12 VAL CA C 39 58.500 58.585 -0.085 1 1 127 . 3 1 1 A 12 12 VAL CB C 39 34.970 34.588 0.382 1 1 130 . 3 1 1 A 12 12 VAL N N 39 130.310 127.251 3.059 1 1 131 . 3 1 1 A 13 13 PRO HA H 40 4.470 4.944 -0.474 1 1 138 . 3 1 1 A 13 13 PRO C C 40 175.070 175.961 -0.891 1 1 139 . 3 1 1 A 13 13 PRO CA C 40 63.130 62.288 0.842 1 1 140 . 3 1 1 A 13 13 PRO CB C 40 33.580 32.310 1.270 1 1 143 . 3 1 1 A 14 14 VAL H H 41 7.970 9.035 -1.065 1 1 144 . 3 1 1 A 14 14 VAL HA H 41 4.170 4.082 0.088 1 1 152 . 3 1 1 A 14 14 VAL C C 41 175.360 176.011 -0.651 1 1 153 . 3 1 1 A 14 14 VAL CA C 41 63.600 63.068 0.532 1 1 154 . 3 1 1 A 14 14 VAL CB C 41 34.050 32.485 1.565 1 1 157 . 3 1 1 A 14 14 VAL N N 41 119.000 118.156 0.844 1 1 158 . 3 1 1 A 15 15 SER H H 42 8.040 7.662 0.378 1 1 159 . 3 1 1 A 15 15 SER HA H 42 4.530 4.314 0.216 1 1 162 . 3 1 1 A 15 15 SER C C 42 176.240 174.692 1.548 1 1 163 . 3 1 1 A 15 15 SER CA C 42 57.620 57.507 0.113 1 1 164 . 3 1 1 A 15 15 SER CB C 42 64.250 64.249 0.001 1 1 165 . 3 1 1 A 15 15 SER N N 42 113.900 115.613 -1.713 1 1 166 . 3 1 1 A 16 16 LYS H H 43 8.690 8.894 -0.204 1 1 167 . 3 1 1 A 16 16 LYS HA H 43 2.830 3.688 -0.858 1 1 176 . 3 1 1 A 16 16 LYS C C 43 177.790 178.583 -0.793 1 1 177 . 3 1 1 A 16 16 LYS CA C 43 58.100 59.719 -1.619 1 1 178 . 3 1 1 A 16 16 LYS CB C 43 31.840 32.475 -0.635 1 1 182 . 3 1 1 A 16 16 LYS N N 43 124.940 126.793 -1.853 1 1 183 . 3 1 1 A 17 17 ASP H H 44 8.590 7.984 0.606 1 1 184 . 3 1 1 A 17 17 ASP HA H 44 4.100 4.358 -0.258 1 1 187 . 3 1 1 A 17 17 ASP C C 44 176.670 177.060 -0.390 1 1 188 . 3 1 1 A 17 17 ASP CA C 44 55.580 56.498 -0.918 1 1 189 . 3 1 1 A 17 17 ASP CB C 44 39.300 40.858 -1.558 1 1 190 . 3 1 1 A 17 17 ASP N N 44 118.140 119.032 -0.892 1 1 191 . 3 1 1 A 18 18 TYR H H 45 7.870 7.518 0.352 1 1 192 . 3 1 1 A 18 18 TYR HA H 45 4.550 4.670 -0.120 1 1 199 . 3 1 1 A 18 18 TYR C C 45 174.860 176.589 -1.729 1 1 200 . 3 1 1 A 18 18 TYR CA C 45 58.510 57.815 0.695 1 1 201 . 3 1 1 A 18 18 TYR CB C 45 39.470 38.684 0.786 1 1 206 . 3 1 1 A 18 18 TYR N N 45 115.260 116.841 -1.581 1 1 207 . 3 1 1 A 19 19 PHE H H 46 7.430 7.979 -0.549 1 1 208 . 3 1 1 A 19 19 PHE HA H 46 4.360 4.431 -0.071 1 1 215 . 3 1 1 A 19 19 PHE C C 46 176.950 176.461 0.489 1 1 216 . 3 1 1 A 19 19 PHE CA C 46 59.340 60.783 -1.443 1 1 217 . 3 1 1 A 19 19 PHE CB C 46 37.870 38.040 -0.170 1 1 222 . 3 1 1 A 19 19 PHE N N 46 120.020 120.997 -0.977 1 1 223 . 3 1 1 A 20 20 SER H H 47 8.620 7.745 0.875 1 1 224 . 3 1 1 A 20 20 SER HA H 47 4.430 4.561 -0.131 1 1 227 . 3 1 1 A 20 20 SER C C 47 173.980 174.915 -0.935 1 1 228 . 3 1 1 A 20 20 SER CA C 47 58.660 58.551 0.109 1 1 229 . 3 1 1 A 20 20 SER CB C 47 62.850 63.882 -1.032 1 1 230 . 3 1 1 A 20 20 SER N N 47 111.500 111.734 -0.234 1 1 231 . 3 1 1 A 21 21 ILE H H 48 7.660 7.413 0.247 1 1 232 . 3 1 1 A 21 21 ILE HA H 48 4.110 4.204 -0.094 1 1 242 . 3 1 1 A 21 21 ILE CA C 48 59.780 60.698 -0.918 1 1 243 . 3 1 1 A 21 21 ILE CB C 48 38.330 38.045 0.285 1 1 247 . 3 1 1 A 21 21 ILE N N 48 119.380 126.026 -6.646 1 1 248 . 3 1 1 A 22 22 PRO HA H 49 4.500 4.529 -0.029 1 1 255 . 3 1 1 A 22 22 PRO C C 49 176.110 177.530 -1.420 1 1 256 . 3 1 1 A 22 22 PRO CA C 49 62.880 62.527 0.353 1 1 257 . 3 1 1 A 22 22 PRO CB C 49 32.570 33.249 -0.679 1 1 260 . 3 1 1 A 23 23 ASN H H 50 8.630 8.819 -0.189 1 1 261 . 3 1 1 A 23 23 ASN HA H 50 4.800 4.528 0.272 1 1 266 . 3 1 1 A 23 23 ASN C C 50 176.580 174.994 1.586 1 1 267 . 3 1 1 A 23 23 ASN CA C 50 53.610 56.241 -2.631 1 1 268 . 3 1 1 A 23 23 ASN CB C 50 38.490 39.052 -0.562 1 1 269 . 3 1 1 A 23 23 ASN N N 50 117.590 118.607 -1.017 1 1 271 . 3 1 1 A 24 24 ASP H H 51 8.580 7.848 0.732 1 1 272 . 3 1 1 A 24 24 ASP HA H 51 4.760 4.972 -0.212 1 1 275 . 3 1 1 A 24 24 ASP C C 51 175.090 173.933 1.157 1 1 276 . 3 1 1 A 24 24 ASP CA C 51 52.500 54.161 -1.661 1 1 277 . 3 1 1 A 24 24 ASP CB C 51 39.840 43.522 -3.682 1 1 278 . 3 1 1 A 24 24 ASP N N 51 120.490 117.755 2.735 1 1 279 . 3 1 1 A 25 25 LEU H H 52 8.400 9.053 -0.653 1 1 280 . 3 1 1 A 25 25 LEU HA H 52 4.390 5.114 -0.724 1 1 290 . 3 1 1 A 25 25 LEU C C 52 176.340 175.771 0.569 1 1 291 . 3 1 1 A 25 25 LEU CA C 52 55.460 53.684 1.776 1 1 292 . 3 1 1 A 25 25 LEU CB C 52 43.270 43.161 0.109 1 1 296 . 3 1 1 A 25 25 LEU N N 52 119.530 127.156 -7.626 1 1 297 . 3 1 1 A 26 26 LEU H H 53 8.840 9.396 -0.556 1 1 298 . 3 1 1 A 26 26 LEU HA H 53 5.140 4.840 0.300 1 1 308 . 3 1 1 A 26 26 LEU C C 53 174.620 175.338 -0.718 1 1 309 . 3 1 1 A 26 26 LEU CA C 53 52.840 53.511 -0.671 1 1 310 . 3 1 1 A 26 26 LEU CB C 53 44.070 41.737 2.333 1 1 314 . 3 1 1 A 26 26 LEU N N 53 126.610 124.324 2.286 1 1 315 . 3 1 1 A 27 27 TRP H H 54 9.230 9.262 -0.032 1 1 316 . 3 1 1 A 27 27 TRP HA H 54 5.570 5.238 0.332 1 1 325 . 3 1 1 A 27 27 TRP C C 54 175.740 174.993 0.747 1 1 326 . 3 1 1 A 27 27 TRP CA C 54 54.510 55.284 -0.774 1 1 327 . 3 1 1 A 27 27 TRP CB C 54 31.710 33.152 -1.442 1 1 333 . 3 1 1 A 27 27 TRP N N 54 122.650 127.890 -5.240 1 1 335 . 3 1 1 A 28 28 SER H H 55 9.240 8.657 0.583 1 1 336 . 3 1 1 A 28 28 SER HA H 55 5.490 5.301 0.189 1 1 339 . 3 1 1 A 28 28 SER C C 55 173.440 173.041 0.399 1 1 340 . 3 1 1 A 28 28 SER CA C 55 56.990 57.276 -0.286 1 1 341 . 3 1 1 A 28 28 SER CB C 55 66.150 65.692 0.458 1 1 342 . 3 1 1 A 28 28 SER N N 55 121.970 122.556 -0.586 1 1 343 . 3 1 1 A 29 29 PHE H H 56 9.590 9.429 0.161 1 1 344 . 3 1 1 A 29 29 PHE HA H 56 5.150 4.765 0.385 1 1 352 . 3 1 1 A 29 29 PHE C C 56 175.810 175.399 0.411 1 1 353 . 3 1 1 A 29 29 PHE CA C 56 57.180 59.258 -2.078 1 1 354 . 3 1 1 A 29 29 PHE CB C 56 42.370 39.417 2.953 1 1 360 . 3 1 1 A 29 29 PHE N N 56 121.420 125.490 -4.070 1 1 361 . 3 1 1 A 30 30 ASN H H 57 9.400 9.300 0.100 1 1 362 . 3 1 1 A 30 30 ASN HA H 57 5.220 5.717 -0.497 1 1 367 . 3 1 1 A 30 30 ASN C C 57 176.540 176.210 0.330 1 1 368 . 3 1 1 A 30 30 ASN CA C 57 52.320 52.643 -0.323 1 1 369 . 3 1 1 A 30 30 ASN CB C 57 38.520 37.988 0.532 1 1 370 . 3 1 1 A 30 30 ASN N N 57 120.660 123.805 -3.145 1 1 372 . 3 1 1 A 31 31 THR H H 58 9.180 8.236 0.944 1 1 373 . 3 1 1 A 31 31 THR HA H 58 4.800 4.892 -0.092 1 1 378 . 3 1 1 A 31 31 THR C C 58 176.950 176.374 0.576 1 1 379 . 3 1 1 A 31 31 THR CA C 58 63.430 64.188 -0.758 1 1 380 . 3 1 1 A 31 31 THR CB C 58 68.110 69.047 -0.937 1 1 382 . 3 1 1 A 31 31 THR N N 58 114.630 116.125 -1.495 1 1 383 . 3 1 1 A 32 32 THR H H 59 8.450 8.233 0.217 1 1 384 . 3 1 1 A 32 32 THR HA H 59 4.130 4.229 -0.099 1 1 389 . 3 1 1 A 32 32 THR C C 59 175.130 175.529 -0.399 1 1 390 . 3 1 1 A 32 32 THR CA C 59 65.550 65.473 0.077 1 1 391 . 3 1 1 A 32 32 THR CB C 59 68.200 69.209 -1.009 1 1 393 . 3 1 1 A 32 32 THR N N 59 120.020 116.566 3.454 1 1 394 . 3 1 1 A 33 33 ASN H H 60 7.500 7.873 -0.373 1 1 395 . 3 1 1 A 33 33 ASN HA H 60 4.690 4.804 -0.114 1 1 400 . 3 1 1 A 33 33 ASN C C 60 174.230 174.473 -0.243 1 1 401 . 3 1 1 A 33 33 ASN CA C 60 51.650 52.658 -1.008 1 1 402 . 3 1 1 A 33 33 ASN CB C 60 37.870 39.487 -1.617 1 1 403 . 3 1 1 A 33 33 ASN N N 60 117.490 116.342 1.148 1 1 405 . 3 1 1 A 34 34 LYS H H 61 7.580 7.753 -0.173 1 1 406 . 3 1 1 A 34 34 LYS HA H 61 3.500 4.245 -0.745 1 1 415 . 3 1 1 A 34 34 LYS C C 61 172.880 174.362 -1.482 1 1 416 . 3 1 1 A 34 34 LYS CA C 61 57.160 56.994 0.166 1 1 417 . 3 1 1 A 34 34 LYS CB C 61 28.540 29.024 -0.484 1 1 421 . 3 1 1 A 34 34 LYS N N 61 118.030 117.038 0.992 1 1 422 . 3 1 1 A 35 35 SER H H 62 8.560 8.025 0.535 1 1 423 . 3 1 1 A 35 35 SER HA H 62 5.670 4.836 0.834 1 1 426 . 3 1 1 A 35 35 SER C C 62 173.510 173.594 -0.084 1 1 427 . 3 1 1 A 35 35 SER CA C 62 56.110 55.914 0.196 1 1 428 . 3 1 1 A 35 35 SER CB C 62 67.800 66.202 1.598 1 1 429 . 3 1 1 A 35 35 SER N N 62 109.720 110.833 -1.113 1 1 430 . 3 1 1 A 36 36 ILE H H 63 8.750 8.939 -0.189 1 1 431 . 3 1 1 A 36 36 ILE HA H 63 4.940 4.639 0.301 1 1 441 . 3 1 1 A 36 36 ILE C C 63 174.660 175.348 -0.688 1 1 442 . 3 1 1 A 36 36 ILE CA C 63 58.180 60.172 -1.992 1 1 443 . 3 1 1 A 36 36 ILE CB C 63 40.660 40.002 0.658 1 1 447 . 3 1 1 A 36 36 ILE N N 63 117.490 120.751 -3.261 1 1 448 . 3 1 1 A 37 37 ASN H H 64 8.400 8.810 -0.410 1 1 449 . 3 1 1 A 37 37 ASN HA H 64 5.650 5.815 -0.165 1 1 454 . 3 1 1 A 37 37 ASN C C 64 173.490 174.440 -0.950 1 1 455 . 3 1 1 A 37 37 ASN CA C 64 51.670 51.777 -0.107 1 1 456 . 3 1 1 A 37 37 ASN CB C 64 41.900 41.233 0.667 1 1 457 . 3 1 1 A 37 37 ASN N N 64 122.180 124.338 -2.158 1 1 459 . 3 1 1 A 38 38 VAL H H 65 8.900 8.845 0.055 1 1 460 . 3 1 1 A 38 38 VAL HA H 65 5.540 4.952 0.588 1 1 468 . 3 1 1 A 38 38 VAL C C 65 174.590 174.953 -0.363 1 1 469 . 3 1 1 A 38 38 VAL CA C 65 60.060 61.009 -0.949 1 1 470 . 3 1 1 A 38 38 VAL CB C 65 34.870 33.509 1.361 1 1 473 . 3 1 1 A 38 38 VAL N N 65 122.060 124.810 -2.750 1 1 474 . 3 1 1 A 39 39 TYR H H 66 8.910 8.791 0.119 1 1 475 . 3 1 1 A 39 39 TYR HA H 66 5.490 6.017 -0.527 1 1 482 . 3 1 1 A 39 39 TYR C C 66 172.810 173.500 -0.690 1 1 483 . 3 1 1 A 39 39 TYR CA C 66 56.220 55.665 0.555 1 1 484 . 3 1 1 A 39 39 TYR CB C 66 40.620 42.415 -1.795 1 1 489 . 3 1 1 A 39 39 TYR N N 66 123.530 124.207 -0.677 1 1 490 . 3 1 1 A 40 40 SER H H 67 8.970 9.362 -0.392 1 1 491 . 3 1 1 A 40 40 SER HA H 67 4.780 4.904 -0.124 1 1 495 . 3 1 1 A 40 40 SER C C 67 174.360 175.109 -0.749 1 1 496 . 3 1 1 A 40 40 SER CA C 67 56.580 56.704 -0.124 1 1 497 . 3 1 1 A 40 40 SER CB C 67 66.290 65.924 0.366 1 1 498 . 3 1 1 A 40 40 SER N N 67 115.210 114.904 0.306 1 1 499 . 3 1 1 A 41 41 LYS H H 68 9.020 8.861 0.159 1 1 500 . 3 1 1 A 41 41 LYS HA H 68 4.210 3.936 0.274 1 1 509 . 3 1 1 A 41 41 LYS C C 68 177.730 177.415 0.315 1 1 510 . 3 1 1 A 41 41 LYS CA C 68 59.240 59.758 -0.518 1 1 511 . 3 1 1 A 41 41 LYS CB C 68 31.660 31.941 -0.281 1 1 515 . 3 1 1 A 41 41 LYS N N 68 118.790 118.356 0.434 1 1 516 . 3 1 1 A 42 42 CYS H H 69 8.090 7.278 0.812 1 1 517 . 3 1 1 A 42 42 CYS HA H 69 4.750 4.737 0.013 1 1 520 . 3 1 1 A 42 42 CYS C C 69 173.260 174.261 -1.001 1 1 521 . 3 1 1 A 42 42 CYS CA C 69 52.780 57.274 -4.494 1 1 522 . 3 1 1 A 42 42 CYS CB C 69 39.470 44.504 -5.034 1 1 523 . 3 1 1 A 42 42 CYS N N 69 113.650 114.879 -1.229 1 1 524 . 3 1 1 A 43 43 ILE H H 70 7.550 7.756 -0.206 1 1 525 . 3 1 1 A 43 43 ILE HA H 70 5.210 4.634 0.576 1 1 535 . 3 1 1 A 43 43 ILE C C 70 171.870 175.200 -3.330 1 1 536 . 3 1 1 A 43 43 ILE CA C 70 59.800 61.990 -2.190 1 1 537 . 3 1 1 A 43 43 ILE CB C 70 42.550 38.963 3.587 1 1 541 . 3 1 1 A 43 43 ILE N N 70 118.580 121.837 -3.257 1 1 542 . 3 1 1 A 44 44 SER H H 71 8.190 8.993 -0.803 1 1 543 . 3 1 1 A 44 44 SER HA H 71 5.190 5.477 -0.287 1 1 546 . 3 1 1 A 44 44 SER C C 71 173.790 173.316 0.474 1 1 547 . 3 1 1 A 44 44 SER CA C 71 56.980 57.882 -0.902 1 1 548 . 3 1 1 A 44 44 SER CB C 71 64.910 65.704 -0.794 1 1 549 . 3 1 1 A 44 44 SER N N 71 117.640 123.798 -6.158 1 1 550 . 3 1 1 A 45 45 GLY H H 72 9.720 9.182 0.538 1 1 551 . 3 1 1 A 45 45 GLY HA2 H 72 5.280 4.419 0.861 1 1 552 . 3 1 1 A 45 45 GLY HA3 H 72 3.460 4.440 -0.980 1 1 553 . 3 1 1 A 45 45 GLY C C 72 171.300 171.857 -0.557 1 1 554 . 3 1 1 A 45 45 GLY CA C 72 45.230 44.498 0.732 1 1 555 . 3 1 1 A 45 45 GLY N N 72 114.160 112.966 1.194 1 1 556 . 3 1 1 A 46 46 LYS H H 73 8.340 8.413 -0.073 1 1 557 . 3 1 1 A 46 46 LYS HA H 73 5.530 5.285 0.245 1 1 566 . 3 1 1 A 46 46 LYS C C 73 174.510 175.099 -0.589 1 1 567 . 3 1 1 A 46 46 LYS CA C 73 54.930 55.255 -0.325 1 1 568 . 3 1 1 A 46 46 LYS CB C 73 36.420 34.261 2.159 1 1 572 . 3 1 1 A 46 46 LYS N N 73 123.520 122.961 0.559 1 1 573 . 3 1 1 A 47 47 ALA H H 74 8.440 8.575 -0.135 1 1 574 . 3 1 1 A 47 47 ALA HA H 74 4.400 5.194 -0.794 1 1 578 . 3 1 1 A 47 47 ALA C C 74 175.850 175.158 0.692 1 1 579 . 3 1 1 A 47 47 ALA CA C 74 49.860 50.600 -0.740 1 1 580 . 3 1 1 A 47 47 ALA CB C 74 20.750 22.981 -2.231 1 1 581 . 3 1 1 A 47 47 ALA N N 74 125.710 126.382 -0.672 1 1 582 . 3 1 1 A 48 48 VAL H H 75 7.840 7.973 -0.133 1 1 583 . 3 1 1 A 48 48 VAL HA H 75 4.640 4.460 0.180 1 1 591 . 3 1 1 A 48 48 VAL C C 75 176.660 174.681 1.979 1 1 592 . 3 1 1 A 48 48 VAL CA C 75 61.160 61.065 0.095 1 1 593 . 3 1 1 A 48 48 VAL CB C 75 32.180 33.577 -1.397 1 1 596 . 3 1 1 A 48 48 VAL N N 75 120.660 119.147 1.513 1 1 597 . 3 1 1 A 49 49 TYR H H 76 8.340 8.003 0.337 1 1 598 . 3 1 1 A 49 49 TYR HA H 76 5.230 5.463 -0.233 1 1 605 . 3 1 1 A 49 49 TYR C C 76 173.480 173.933 -0.453 1 1 606 . 3 1 1 A 49 49 TYR CA C 76 54.940 54.986 -0.046 1 1 607 . 3 1 1 A 49 49 TYR CB C 76 42.030 41.896 0.134 1 1 612 . 3 1 1 A 49 49 TYR N N 76 126.510 124.995 1.515 1 1 613 . 3 1 1 A 50 50 SER H H 77 8.360 8.518 -0.158 1 1 614 . 3 1 1 A 50 50 SER HA H 77 4.560 5.109 -0.549 1 1 617 . 3 1 1 A 50 50 SER C C 77 171.180 172.073 -0.893 1 1 618 . 3 1 1 A 50 50 SER CA C 77 56.890 57.373 -0.483 1 1 619 . 3 1 1 A 50 50 SER CB C 77 65.650 66.445 -0.795 1 1 620 . 3 1 1 A 50 50 SER N N 77 111.300 114.114 -2.814 1 1 621 . 3 1 1 A 51 51 PHE H H 78 8.660 8.764 -0.104 1 1 622 . 3 1 1 A 51 51 PHE HA H 78 5.860 5.619 0.241 1 1 630 . 3 1 1 A 51 51 PHE C C 78 176.800 174.445 2.355 1 1 631 . 3 1 1 A 51 51 PHE CA C 78 56.090 56.254 -0.164 1 1 632 . 3 1 1 A 51 51 PHE CB C 78 42.280 43.181 -0.901 1 1 638 . 3 1 1 A 51 51 PHE N N 78 116.710 118.181 -1.471 1 1 639 . 3 1 1 A 52 52 ASN H H 79 9.190 9.136 0.054 1 1 640 . 3 1 1 A 52 52 ASN HA H 79 4.900 5.190 -0.290 1 1 645 . 3 1 1 A 52 52 ASN C C 79 174.870 174.512 0.358 1 1 646 . 3 1 1 A 52 52 ASN CA C 79 53.300 52.677 0.623 1 1 647 . 3 1 1 A 52 52 ASN CB C 79 41.350 40.860 0.490 1 1 648 . 3 1 1 A 52 52 ASN N N 79 119.620 120.814 -1.194 1 1 650 . 3 1 1 A 53 53 ALA H H 80 9.650 9.276 0.374 1 1 651 . 3 1 1 A 53 53 ALA HA H 80 4.110 4.104 0.006 1 1 655 . 3 1 1 A 53 53 ALA C C 80 176.800 177.247 -0.447 1 1 656 . 3 1 1 A 53 53 ALA CA C 80 52.860 53.392 -0.532 1 1 657 . 3 1 1 A 53 53 ALA CB C 80 16.760 17.945 -1.185 1 1 658 . 3 1 1 A 53 53 ALA N N 80 131.210 130.009 1.201 1 1 659 . 3 1 1 A 54 54 GLY H H 81 8.850 8.653 0.197 1 1 660 . 3 1 1 A 54 54 GLY HA2 H 81 4.320 3.921 0.399 1 1 661 . 3 1 1 A 54 54 GLY HA3 H 81 4.220 3.941 0.279 1 1 662 . 3 1 1 A 54 54 GLY C C 81 173.950 174.081 -0.131 1 1 663 . 3 1 1 A 54 54 GLY CA C 81 45.320 45.477 -0.157 1 1 664 . 3 1 1 A 54 54 GLY N N 81 104.570 102.808 1.762 1 1 665 . 3 1 1 A 55 55 LYS H H 82 8.030 7.860 0.170 1 1 666 . 3 1 1 A 55 55 LYS HA H 82 4.910 4.476 0.434 1 1 675 . 3 1 1 A 55 55 LYS C C 82 174.120 175.717 -1.597 1 1 676 . 3 1 1 A 55 55 LYS CA C 82 54.350 55.798 -1.448 1 1 677 . 3 1 1 A 55 55 LYS CB C 82 34.010 32.551 1.459 1 1 681 . 3 1 1 A 55 55 LYS N N 82 120.230 120.394 -0.164 1 1 682 . 3 1 1 A 56 56 PHE H H 83 9.390 9.465 -0.075 1 1 683 . 3 1 1 A 56 56 PHE HA H 83 4.250 4.210 0.040 1 1 691 . 3 1 1 A 56 56 PHE C C 83 173.870 174.358 -0.488 1 1 692 . 3 1 1 A 56 56 PHE CA C 83 56.630 57.921 -1.291 1 1 693 . 3 1 1 A 56 56 PHE CB C 83 40.940 40.194 0.746 1 1 699 . 3 1 1 A 56 56 PHE N N 83 125.150 126.276 -1.126 1 1 700 . 3 1 1 A 57 57 MET H H 84 8.270 8.580 -0.310 1 1 701 . 3 1 1 A 57 57 MET HA H 84 5.140 6.137 -0.997 1 1 709 . 3 1 1 A 57 57 MET C C 84 174.090 175.119 -1.029 1 1 710 . 3 1 1 A 57 57 MET CA C 84 53.600 53.898 -0.298 1 1 711 . 3 1 1 A 57 57 MET CB C 84 36.190 37.390 -1.200 1 1 714 . 3 1 1 A 57 57 MET N N 84 124.270 124.557 -0.287 1 1 715 . 3 1 1 A 58 58 GLY H H 85 7.420 8.198 -0.778 1 1 716 . 3 1 1 A 58 58 GLY HA2 H 85 3.900 3.770 0.130 1 1 717 . 3 1 1 A 58 58 GLY HA3 H 85 2.790 3.878 -1.088 1 1 718 . 3 1 1 A 58 58 GLY C C 85 169.900 172.036 -2.136 1 1 719 . 3 1 1 A 58 58 GLY CA C 85 45.620 45.490 0.130 1 1 720 . 3 1 1 A 58 58 GLY N N 85 103.440 107.859 -4.419 1 1 721 . 3 1 1 A 59 59 ASN H H 86 8.410 8.576 -0.166 1 1 722 . 3 1 1 A 59 59 ASN HA H 86 4.890 5.025 -0.135 1 1 727 . 3 1 1 A 59 59 ASN C C 86 174.650 174.437 0.213 1 1 728 . 3 1 1 A 59 59 ASN CA C 86 51.110 52.717 -1.607 1 1 729 . 3 1 1 A 59 59 ASN CB C 86 38.140 39.085 -0.945 1 1 730 . 3 1 1 A 59 59 ASN N N 86 122.270 122.461 -0.191 1 1 732 . 3 1 1 A 60 60 PHE H H 87 8.870 8.999 -0.129 1 1 733 . 3 1 1 A 60 60 PHE HA H 87 4.120 5.125 -1.005 1 1 741 . 3 1 1 A 60 60 PHE C C 87 175.620 175.162 0.458 1 1 742 . 3 1 1 A 60 60 PHE CA C 87 58.850 56.617 2.233 1 1 743 . 3 1 1 A 60 60 PHE CB C 87 39.910 40.778 -0.868 1 1 749 . 3 1 1 A 60 60 PHE N N 87 123.420 126.121 -2.701 1 1 750 . 3 1 1 A 61 61 ASN H H 88 8.610 9.546 -0.936 1 1 751 . 3 1 1 A 61 61 ASN HA H 88 4.900 5.270 -0.370 1 1 756 . 3 1 1 A 61 61 ASN C C 88 175.090 173.963 1.127 1 1 757 . 3 1 1 A 61 61 ASN CA C 88 52.690 52.056 0.634 1 1 758 . 3 1 1 A 61 61 ASN CB C 88 39.830 39.926 -0.096 1 1 759 . 3 1 1 A 61 61 ASN N N 88 121.520 119.875 1.645 1 1 761 . 3 1 1 A 62 62 VAL H H 89 8.890 8.641 0.249 1 1 762 . 3 1 1 A 62 62 VAL HA H 89 4.820 4.654 0.166 1 1 770 . 3 1 1 A 62 62 VAL C C 89 174.650 175.745 -1.095 1 1 771 . 3 1 1 A 62 62 VAL CA C 89 60.870 61.320 -0.450 1 1 772 . 3 1 1 A 62 62 VAL CB C 89 34.690 33.765 0.925 1 1 775 . 3 1 1 A 62 62 VAL N N 89 123.750 124.810 -1.060 1 1 776 . 3 1 1 A 63 63 LYS H H 90 8.750 9.304 -0.554 1 1 777 . 3 1 1 A 63 63 LYS HA H 90 4.670 5.105 -0.435 1 1 786 . 3 1 1 A 63 63 LYS C C 90 174.990 175.587 -0.597 1 1 787 . 3 1 1 A 63 63 LYS CA C 90 55.010 54.948 0.062 1 1 788 . 3 1 1 A 63 63 LYS CB C 90 34.030 35.188 -1.158 1 1 792 . 3 1 1 A 63 63 LYS N N 90 126.210 123.661 2.549 1 1 793 . 3 1 1 A 64 64 GLU H H 91 9.170 8.988 0.182 1 1 794 . 3 1 1 A 64 64 GLU HA H 91 5.020 5.183 -0.163 1 1 799 . 3 1 1 A 64 64 GLU C C 91 175.680 174.693 0.987 1 1 800 . 3 1 1 A 64 64 GLU CA C 91 54.400 54.726 -0.326 1 1 801 . 3 1 1 A 64 64 GLU CB C 91 32.690 33.642 -0.952 1 1 803 . 3 1 1 A 64 64 GLU N N 91 128.500 119.941 8.559 1 1 804 . 3 1 1 A 65 65 VAL H H 92 8.330 8.888 -0.558 1 1 805 . 3 1 1 A 65 65 VAL HA H 92 3.880 4.766 -0.886 1 1 813 . 3 1 1 A 65 65 VAL C C 92 175.940 175.758 0.182 1 1 814 . 3 1 1 A 65 65 VAL CA C 92 62.290 60.645 1.645 1 1 815 . 3 1 1 A 65 65 VAL CB C 92 32.080 33.525 -1.445 1 1 818 . 3 1 1 A 65 65 VAL N N 92 126.870 118.335 8.535 1 1 819 . 3 1 1 A 66 66 ASP H H 93 8.810 8.647 0.163 1 1 820 . 3 1 1 A 66 66 ASP HA H 93 4.440 5.012 -0.572 1 1 823 . 3 1 1 A 66 66 ASP C C 93 177.330 177.078 0.252 1 1 824 . 3 1 1 A 66 66 ASP CA C 93 55.950 53.670 2.280 1 1 825 . 3 1 1 A 66 66 ASP CB C 93 40.760 42.551 -1.791 1 1 826 . 3 1 1 A 66 66 ASP N N 93 130.720 121.761 8.959 1 1 827 . 3 1 1 A 67 67 GLY H H 94 8.910 8.486 0.424 1 1 828 . 3 1 1 A 67 67 GLY HA2 H 94 4.020 3.933 0.087 1 1 829 . 3 1 1 A 67 67 GLY HA3 H 94 3.820 3.938 -0.118 1 1 830 . 3 1 1 A 67 67 GLY C C 94 173.530 174.796 -1.266 1 1 831 . 3 1 1 A 67 67 GLY CA C 94 45.830 45.403 0.427 1 1 832 . 3 1 1 A 67 67 GLY N N 94 112.760 109.654 3.106 1 1 833 . 3 1 1 A 68 68 CYS H H 95 7.540 8.057 -0.517 1 1 834 . 3 1 1 A 68 68 CYS HA H 95 4.260 4.070 0.190 1 1 837 . 3 1 1 A 68 68 CYS C C 95 175.640 174.936 0.704 1 1 838 . 3 1 1 A 68 68 CYS CA C 95 58.280 59.415 -1.135 1 1 839 . 3 1 1 A 68 68 CYS CB C 95 38.240 41.753 -3.513 1 1 840 . 3 1 1 A 68 68 CYS N N 95 119.700 119.873 -0.173 1 1 841 . 3 1 1 A 69 69 PHE H H 96 8.850 7.857 0.993 1 1 842 . 3 1 1 A 69 69 PHE HA H 96 5.010 4.693 0.317 1 1 850 . 3 1 1 A 69 69 PHE C C 96 177.330 175.403 1.927 1 1 851 . 3 1 1 A 69 69 PHE CA C 96 56.460 57.297 -0.837 1 1 852 . 3 1 1 A 69 69 PHE CB C 96 40.020 39.019 1.001 1 1 858 . 3 1 1 A 69 69 PHE N N 96 117.790 117.308 0.482 1 1 859 . 3 1 1 A 70 70 MET H H 97 8.710 8.089 0.621 1 1 860 . 3 1 1 A 70 70 MET HA H 97 4.700 4.177 0.523 1 1 868 . 3 1 1 A 70 70 MET C C 97 177.650 175.821 1.829 1 1 869 . 3 1 1 A 70 70 MET CA C 97 54.570 57.560 -2.990 1 1 870 . 3 1 1 A 70 70 MET CB C 97 33.990 31.351 2.639 1 1 873 . 3 1 1 A 70 70 MET N N 97 119.890 116.416 3.474 1 1 874 . 3 1 1 A 71 71 ASP H H 98 8.980 8.885 0.095 1 1 875 . 3 1 1 A 71 71 ASP HA H 98 4.280 4.704 -0.424 1 1 878 . 3 1 1 A 71 71 ASP C C 98 177.920 177.972 -0.052 1 1 879 . 3 1 1 A 71 71 ASP CA C 98 58.380 55.984 2.396 1 1 880 . 3 1 1 A 71 71 ASP CB C 98 40.100 41.915 -1.815 1 1 881 . 3 1 1 A 71 71 ASP N N 98 123.440 124.854 -1.414 1 1 882 . 3 1 1 A 72 72 ALA H H 99 8.950 8.026 0.924 1 1 883 . 3 1 1 A 72 72 ALA HA H 99 4.030 4.123 -0.093 1 1 887 . 3 1 1 A 72 72 ALA C C 99 180.740 179.335 1.405 1 1 888 . 3 1 1 A 72 72 ALA CA C 99 55.020 54.228 0.792 1 1 889 . 3 1 1 A 72 72 ALA CB C 99 18.280 18.573 -0.293 1 1 890 . 3 1 1 A 72 72 ALA N N 99 119.200 121.801 -2.601 1 1 891 . 3 1 1 A 73 73 GLN H H 100 7.120 7.746 -0.626 1 1 892 . 3 1 1 A 73 73 GLN HA H 100 4.020 4.754 -0.734 1 1 899 . 3 1 1 A 73 73 GLN C C 100 176.880 178.431 -1.551 1 1 900 . 3 1 1 A 73 73 GLN CA C 100 57.720 58.615 -0.895 1 1 901 . 3 1 1 A 73 73 GLN CB C 100 28.940 28.305 0.635 1 1 903 . 3 1 1 A 73 73 GLN N N 100 115.380 117.620 -2.240 1 1 905 . 3 1 1 A 74 74 LYS H H 101 7.760 7.810 -0.050 1 1 906 . 3 1 1 A 74 74 LYS HA H 101 3.510 4.121 -0.611 1 1 915 . 3 1 1 A 74 74 LYS C C 101 177.610 178.702 -1.092 1 1 916 . 3 1 1 A 74 74 LYS CA C 101 58.500 59.056 -0.556 1 1 917 . 3 1 1 A 74 74 LYS CB C 101 31.790 32.454 -0.664 1 1 921 . 3 1 1 A 74 74 LYS N N 101 119.560 121.470 -1.910 1 1 922 . 3 1 1 A 75 75 ILE H H 102 7.760 8.238 -0.478 1 1 923 . 3 1 1 A 75 75 ILE HA H 102 3.750 3.610 0.140 1 1 933 . 3 1 1 A 75 75 ILE C C 102 178.530 177.603 0.927 1 1 934 . 3 1 1 A 75 75 ILE CA C 102 64.200 65.486 -1.286 1 1 935 . 3 1 1 A 75 75 ILE CB C 102 38.170 37.637 0.533 1 1 939 . 3 1 1 A 75 75 ILE N N 102 117.490 120.106 -2.616 1 1 940 . 3 1 1 A 76 76 ALA H H 103 7.090 8.581 -1.491 1 1 941 . 3 1 1 A 76 76 ALA HA H 103 3.990 3.815 0.175 1 1 945 . 3 1 1 A 76 76 ALA C C 103 178.650 180.405 -1.755 1 1 946 . 3 1 1 A 76 76 ALA CA C 103 55.020 55.210 -0.190 1 1 947 . 3 1 1 A 76 76 ALA CB C 103 18.570 18.240 0.330 1 1 948 . 3 1 1 A 76 76 ALA N N 103 121.190 121.917 -0.727 1 1 949 . 3 1 1 A 77 77 ILE H H 104 8.150 7.562 0.588 1 1 950 . 3 1 1 A 77 77 ILE HA H 104 3.420 3.507 -0.087 1 1 960 . 3 1 1 A 77 77 ILE C C 104 176.670 177.245 -0.575 1 1 961 . 3 1 1 A 77 77 ILE CA C 104 63.130 64.451 -1.321 1 1 962 . 3 1 1 A 77 77 ILE CB C 104 36.680 36.470 0.210 1 1 966 . 3 1 1 A 77 77 ILE N N 104 119.240 118.352 0.888 1 1 967 . 3 1 1 A 78 78 ASP H H 105 8.290 8.638 -0.348 1 1 968 . 3 1 1 A 78 78 ASP HA H 105 4.440 4.222 0.218 1 1 971 . 3 1 1 A 78 78 ASP C C 105 180.350 178.426 1.924 1 1 972 . 3 1 1 A 78 78 ASP CA C 105 57.440 57.870 -0.430 1 1 973 . 3 1 1 A 78 78 ASP CB C 105 39.430 41.994 -2.564 1 1 974 . 3 1 1 A 78 78 ASP N N 105 121.080 121.678 -0.598 1 1 975 . 3 1 1 A 79 79 LYS H H 106 7.960 8.043 -0.083 1 1 976 . 3 1 1 A 79 79 LYS HA H 106 4.010 3.959 0.051 1 1 985 . 3 1 1 A 79 79 LYS C C 106 178.580 179.059 -0.479 1 1 986 . 3 1 1 A 79 79 LYS CA C 106 59.780 59.190 0.590 1 1 987 . 3 1 1 A 79 79 LYS CB C 106 31.800 32.165 -0.365 1 1 991 . 3 1 1 A 79 79 LYS N N 106 121.340 118.800 2.540 1 1 992 . 3 1 1 A 80 80 LEU H H 107 8.230 8.010 0.220 1 1 993 . 3 1 1 A 80 80 LEU HA H 107 3.990 4.205 -0.215 1 1 1003 . 3 1 1 A 80 80 LEU C C 107 178.230 178.474 -0.244 1 1 1004 . 3 1 1 A 80 80 LEU CA C 107 58.570 58.155 0.415 1 1 1005 . 3 1 1 A 80 80 LEU CB C 107 41.110 41.378 -0.268 1 1 1009 . 3 1 1 A 80 80 LEU N N 107 123.530 121.041 2.489 1 1 1010 . 3 1 1 A 81 81 PHE H H 108 8.050 8.567 -0.517 1 1 1011 . 3 1 1 A 81 81 PHE HA H 108 4.350 3.960 0.390 1 1 1019 . 3 1 1 A 81 81 PHE C C 108 179.570 177.964 1.606 1 1 1020 . 3 1 1 A 81 81 PHE CA C 108 61.070 60.678 0.392 1 1 1021 . 3 1 1 A 81 81 PHE CB C 108 37.010 37.971 -0.961 1 1 1027 . 3 1 1 A 81 81 PHE N N 108 116.720 118.073 -1.353 1 1 1028 . 3 1 1 A 82 82 SER H H 109 8.410 8.284 0.126 1 1 1029 . 3 1 1 A 82 82 SER HA H 109 4.360 4.285 0.075 1 1 1032 . 3 1 1 A 82 82 SER C C 109 176.200 177.333 -1.133 1 1 1033 . 3 1 1 A 82 82 SER CA C 109 61.830 61.337 0.493 1 1 1034 . 3 1 1 A 82 82 SER CB C 109 62.570 63.207 -0.637 1 1 1035 . 3 1 1 A 82 82 SER N N 109 118.120 115.699 2.421 1 1 1036 . 3 1 1 A 83 83 MET H H 110 8.420 8.151 0.269 1 1 1037 . 3 1 1 A 83 83 MET HA H 110 4.210 4.176 0.034 1 1 1043 . 3 1 1 A 83 83 MET C C 110 178.260 178.758 -0.498 1 1 1044 . 3 1 1 A 83 83 MET CA C 110 59.170 58.860 0.310 1 1 1045 . 3 1 1 A 83 83 MET CB C 110 31.240 32.632 -1.392 1 1 1047 . 3 1 1 A 83 83 MET N N 110 123.040 119.873 3.167 1 1 1048 . 3 1 1 A 84 84 LEU H H 111 8.080 8.168 -0.088 1 1 1049 . 3 1 1 A 84 84 LEU HA H 111 4.140 4.044 0.096 1 1 1059 . 3 1 1 A 84 84 LEU C C 111 178.030 179.041 -1.011 1 1 1060 . 3 1 1 A 84 84 LEU CA C 111 57.390 58.206 -0.816 1 1 1061 . 3 1 1 A 84 84 LEU CB C 111 41.430 41.886 -0.456 1 1 1065 . 3 1 1 A 84 84 LEU N N 111 117.910 119.843 -1.933 1 1 1066 . 3 1 1 A 85 85 LYS H H 112 7.640 7.544 0.096 1 1 1067 . 3 1 1 A 85 85 LYS HA H 112 4.110 4.195 -0.085 1 1 1076 . 3 1 1 A 85 85 LYS C C 112 177.650 177.474 0.176 1 1 1077 . 3 1 1 A 85 85 LYS CA C 112 58.750 59.030 -0.280 1 1 1078 . 3 1 1 A 85 85 LYS CB C 112 32.240 32.350 -0.110 1 1 1082 . 3 1 1 A 85 85 LYS N N 112 119.340 117.705 1.635 1 1 1083 . 3 1 1 A 86 86 ASP H H 113 7.350 7.654 -0.304 1 1 1084 . 3 1 1 A 86 86 ASP HA H 113 4.570 4.733 -0.163 1 1 1087 . 3 1 1 A 86 86 ASP C C 113 176.950 176.528 0.422 1 1 1088 . 3 1 1 A 86 86 ASP CA C 113 55.770 54.150 1.620 1 1 1089 . 3 1 1 A 86 86 ASP CB C 113 42.420 41.458 0.962 1 1 1090 . 3 1 1 A 86 86 ASP N N 113 117.210 117.535 -0.325 1 1 1091 . 3 1 1 A 87 87 GLY H H 114 7.760 7.881 -0.121 1 1 1092 . 3 1 1 A 87 87 GLY HA2 H 114 4.380 4.020 0.360 1 1 1093 . 3 1 1 A 87 87 GLY HA3 H 114 4.380 4.048 0.332 1 1 1094 . 3 1 1 A 87 87 GLY C C 114 173.000 173.753 -0.753 1 1 1095 . 3 1 1 A 87 87 GLY CA C 114 44.490 45.122 -0.632 1 1 1096 . 3 1 1 A 87 87 GLY N N 114 107.740 106.790 0.950 1 1 1097 . 3 1 1 A 88 88 VAL H H 115 9.350 9.268 0.082 1 1 1098 . 3 1 1 A 88 88 VAL HA H 115 4.960 4.846 0.114 1 1 1106 . 3 1 1 A 88 88 VAL C C 115 173.100 174.533 -1.433 1 1 1107 . 3 1 1 A 88 88 VAL CA C 115 58.650 62.109 -3.459 1 1 1108 . 3 1 1 A 88 88 VAL CB C 115 35.910 33.512 2.398 1 1 1111 . 3 1 1 A 88 88 VAL N N 115 118.050 125.200 -7.150 1 1 1112 . 3 1 1 A 89 89 VAL H H 116 9.000 9.373 -0.373 1 1 1113 . 3 1 1 A 89 89 VAL HA H 116 4.550 4.768 -0.218 1 1 1121 . 3 1 1 A 89 89 VAL C C 116 174.640 174.537 0.103 1 1 1122 . 3 1 1 A 89 89 VAL CA C 116 61.360 60.299 1.061 1 1 1123 . 3 1 1 A 89 89 VAL CB C 116 33.760 33.885 -0.125 1 1 1126 . 3 1 1 A 89 89 VAL N N 116 121.030 128.137 -7.107 1 1 1127 . 3 1 1 A 90 90 LEU H H 117 8.950 8.733 0.217 1 1 1128 . 3 1 1 A 90 90 LEU HA H 117 5.160 5.538 -0.378 1 1 1138 . 3 1 1 A 90 90 LEU C C 117 176.150 176.547 -0.397 1 1 1139 . 3 1 1 A 90 90 LEU CA C 117 52.230 54.320 -2.090 1 1 1140 . 3 1 1 A 90 90 LEU CB C 117 44.280 41.405 2.875 1 1 1144 . 3 1 1 A 90 90 LEU N N 117 125.420 129.577 -4.157 1 1 1145 . 3 1 1 A 91 91 LYS H H 118 8.280 8.612 -0.332 1 1 1146 . 3 1 1 A 91 91 LYS HA H 118 4.900 4.556 0.344 1 1 1155 . 3 1 1 A 91 91 LYS C C 118 175.300 175.050 0.250 1 1 1156 . 3 1 1 A 91 91 LYS CA C 118 53.810 55.448 -1.638 1 1 1157 . 3 1 1 A 91 91 LYS CB C 118 36.840 36.630 0.210 1 1 1161 . 3 1 1 A 91 91 LYS N N 118 119.720 121.402 -1.682 1 1 1162 . 3 1 1 A 92 92 GLY H H 119 9.030 8.211 0.819 1 1 1163 . 3 1 1 A 92 92 GLY HA2 H 119 3.750 4.211 -0.461 1 1 1164 . 3 1 1 A 92 92 GLY HA3 H 119 3.750 4.216 -0.466 1 1 1165 . 3 1 1 A 92 92 GLY CA C 119 43.980 45.109 -1.129 1 1 1166 . 3 1 1 A 92 92 GLY N N 119 109.730 108.502 1.228 1 1 1167 . 3 1 1 A 94 94 LYS HA H 121 4.760 4.833 -0.073 1 1 1168 . 3 1 1 A 95 95 ILE H H 122 7.700 8.468 -0.768 1 1 1169 . 3 1 1 A 95 95 ILE HA H 122 4.160 4.567 -0.407 1 1 1179 . 3 1 1 A 95 95 ILE CA C 122 61.270 59.561 1.709 1 1 1180 . 3 1 1 A 95 95 ILE CB C 122 37.590 39.829 -2.239 1 1 1184 . 3 1 1 A 95 95 ILE N N 122 117.400 124.983 -7.583 1 1 1185 . 3 1 1 A 98 98 THR HA H 125 5.810 4.712 1.098 1 1 1190 . 3 1 1 A 98 98 THR CA C 125 61.740 60.989 0.751 1 1 1191 . 3 1 1 A 98 98 THR CB C 125 73.450 72.481 0.969 1 1 1193 . 3 1 1 A 99 99 ILE HA H 126 4.630 4.721 -0.091 1 1 1203 . 3 1 1 A 99 99 ILE C C 126 174.430 175.328 -0.898 1 1 1204 . 3 1 1 A 99 99 ILE CA C 126 59.980 59.855 0.125 1 1 1205 . 3 1 1 A 99 99 ILE CB C 126 40.970 39.501 1.469 1 1 1209 . 3 1 1 A 100 100 LEU H H 127 9.530 8.764 0.766 1 1 1210 . 3 1 1 A 100 100 LEU HA H 127 4.420 5.059 -0.639 1 1 1220 . 3 1 1 A 100 100 LEU C C 127 174.930 175.458 -0.528 1 1 1221 . 3 1 1 A 100 100 LEU CA C 127 54.030 53.587 0.443 1 1 1222 . 3 1 1 A 100 100 LEU CB C 127 42.520 45.433 -2.913 1 1 1226 . 3 1 1 A 100 100 LEU N N 127 127.300 126.170 1.130 1 1 1227 . 3 1 1 A 101 101 ILE H H 128 8.260 9.291 -1.031 1 1 1228 . 3 1 1 A 101 101 ILE HA H 128 4.320 4.676 -0.356 1 1 1238 . 3 1 1 A 101 101 ILE C C 128 173.880 174.539 -0.659 1 1 1239 . 3 1 1 A 101 101 ILE CA C 128 60.900 60.123 0.777 1 1 1240 . 3 1 1 A 101 101 ILE CB C 128 37.410 38.510 -1.100 1 1 1244 . 3 1 1 A 101 101 ILE N N 128 119.990 123.383 -3.393 1 1 1245 . 3 1 1 A 102 102 GLU H H 129 9.580 8.949 0.631 1 1 1246 . 3 1 1 A 102 102 GLU HA H 129 5.120 5.286 -0.166 1 1 1251 . 3 1 1 A 102 102 GLU C C 129 174.240 174.719 -0.479 1 1 1252 . 3 1 1 A 102 102 GLU CA C 129 54.050 54.885 -0.835 1 1 1253 . 3 1 1 A 102 102 GLU CB C 129 33.630 33.603 0.027 1 1 1255 . 3 1 1 A 102 102 GLU N N 129 129.780 129.705 0.075 1 1 1256 . 3 1 1 A 103 103 LYS H H 130 8.680 8.210 0.470 1 1 1257 . 3 1 1 A 103 103 LYS HA H 130 4.720 4.835 -0.115 1 1 1264 . 3 1 1 A 103 103 LYS C C 130 175.280 174.751 0.529 1 1 1265 . 3 1 1 A 103 103 LYS CA C 130 55.190 55.309 -0.119 1 1 1266 . 3 1 1 A 103 103 LYS CB C 130 36.750 35.489 1.261 1 1 1270 . 3 1 1 A 103 103 LYS N N 130 123.420 122.956 0.464 1 1 1271 . 3 1 1 A 104 104 ASP H H 131 9.530 9.343 0.187 1 1 1272 . 3 1 1 A 104 104 ASP HA H 131 4.290 4.343 -0.053 1 1 1275 . 3 1 1 A 104 104 ASP C C 131 176.090 176.234 -0.144 1 1 1276 . 3 1 1 A 104 104 ASP CA C 131 55.370 55.572 -0.202 1 1 1277 . 3 1 1 A 104 104 ASP CB C 131 39.260 39.254 0.006 1 1 1278 . 3 1 1 A 104 104 ASP N N 131 127.440 120.495 6.945 1 1 1279 . 3 1 1 A 105 105 GLY H H 132 8.970 8.178 0.792 1 1 1280 . 3 1 1 A 105 105 GLY HA2 H 132 4.090 3.949 0.141 1 1 1281 . 3 1 1 A 105 105 GLY HA3 H 132 3.550 3.950 -0.400 1 1 1282 . 3 1 1 A 105 105 GLY C C 132 173.130 173.608 -0.478 1 1 1283 . 3 1 1 A 105 105 GLY CA C 132 45.230 45.251 -0.021 1 1 1284 . 3 1 1 A 105 105 GLY N N 132 103.820 105.256 -1.436 1 1 1285 . 3 1 1 A 106 106 GLU H H 133 7.720 7.703 0.017 1 1 1286 . 3 1 1 A 106 106 GLU HA H 133 4.720 4.902 -0.182 1 1 1291 . 3 1 1 A 106 106 GLU C C 133 174.940 174.721 0.219 1 1 1292 . 3 1 1 A 106 106 GLU CA C 133 53.770 54.483 -0.713 1 1 1293 . 3 1 1 A 106 106 GLU CB C 133 32.820 33.002 -0.182 1 1 1295 . 3 1 1 A 106 106 GLU N N 133 120.200 115.789 4.411 1 1 1296 . 3 1 1 A 107 107 VAL H H 134 8.900 8.709 0.191 1 1 1297 . 3 1 1 A 107 107 VAL HA H 134 3.760 4.129 -0.369 1 1 1305 . 3 1 1 A 107 107 VAL C C 134 175.340 175.945 -0.605 1 1 1306 . 3 1 1 A 107 107 VAL CA C 134 64.230 62.093 2.137 1 1 1307 . 3 1 1 A 107 107 VAL CB C 134 31.160 32.614 -1.454 1 1 1310 . 3 1 1 A 107 107 VAL N N 134 125.990 122.828 3.162 1 1 1311 . 3 1 1 A 108 108 LYS H H 135 9.250 8.459 0.791 1 1 1312 . 3 1 1 A 108 108 LYS HA H 135 4.810 4.456 0.354 1 1 1321 . 3 1 1 A 108 108 LYS C C 135 174.390 175.602 -1.212 1 1 1322 . 3 1 1 A 108 108 LYS CA C 135 54.740 55.661 -0.921 1 1 1323 . 3 1 1 A 108 108 LYS CB C 135 34.690 33.488 1.202 1 1 1327 . 3 1 1 A 108 108 LYS N N 135 126.060 124.173 1.887 1 1 1328 . 3 1 1 A 109 109 LEU H H 136 7.690 7.064 0.626 1 1 1329 . 3 1 1 A 109 109 LEU HA H 136 4.820 5.220 -0.400 1 1 1339 . 3 1 1 A 109 109 LEU C C 136 172.450 174.389 -1.939 1 1 1340 . 3 1 1 A 109 109 LEU CA C 136 53.250 53.583 -0.333 1 1 1341 . 3 1 1 A 109 109 LEU CB C 136 47.800 46.226 1.574 1 1 1345 . 3 1 1 A 109 109 LEU N N 136 116.670 120.238 -3.568 1 1 1346 . 3 1 1 A 110 110 LYS H H 137 9.170 8.898 0.272 1 1 1347 . 3 1 1 A 110 110 LYS HA H 137 5.050 4.896 0.154 1 1 1356 . 3 1 1 A 110 110 LYS C C 137 172.760 174.855 -2.095 1 1 1357 . 3 1 1 A 110 110 LYS CA C 137 54.090 54.601 -0.511 1 1 1358 . 3 1 1 A 110 110 LYS CB C 137 36.560 37.031 -0.471 1 1 1362 . 3 1 1 A 110 110 LYS N N 137 117.050 122.159 -5.109 1 1 1363 . 3 1 1 A 111 111 LEU H H 138 9.400 9.016 0.384 1 1 1364 . 3 1 1 A 111 111 LEU HA H 138 5.250 4.803 0.447 1 1 1374 . 3 1 1 A 111 111 LEU C C 138 176.470 176.648 -0.178 1 1 1375 . 3 1 1 A 111 111 LEU CA C 138 52.230 53.744 -1.514 1 1 1376 . 3 1 1 A 111 111 LEU CB C 138 42.810 41.003 1.807 1 1 1380 . 3 1 1 A 111 111 LEU N N 138 121.800 121.890 -0.090 1 1 1381 . 3 1 1 A 112 112 ILE H H 139 9.080 9.145 -0.065 1 1 1382 . 3 1 1 A 112 112 ILE HA H 139 5.420 4.327 1.093 1 1 1392 . 3 1 1 A 112 112 ILE C C 139 175.710 175.838 -0.128 1 1 1393 . 3 1 1 A 112 112 ILE CA C 139 59.170 62.938 -3.768 1 1 1394 . 3 1 1 A 112 112 ILE CB C 139 41.010 37.105 3.905 1 1 1398 . 3 1 1 A 112 112 ILE N N 139 120.350 120.379 -0.029 1 1 1399 . 3 1 1 A 113 113 ARG H H 140 8.550 8.797 -0.247 1 1 1400 . 3 1 1 A 113 113 ARG HA H 140 3.940 4.457 -0.517 1 1 1403 . 3 1 1 A 113 113 ARG C C 140 176.030 176.557 -0.527 1 1 1404 . 3 1 1 A 113 113 ARG CA C 140 56.180 55.223 0.957 1 1 1405 . 3 1 1 A 113 113 ARG CB C 140 30.770 28.518 2.252 1 1 1408 . 3 1 1 A 113 113 ARG N N 140 127.710 126.395 1.315 1 1 1409 . 3 1 1 A 114 114 GLY H H 141 8.530 8.605 -0.075 1 1 1410 . 3 1 1 A 114 114 GLY HA2 H 141 4.000 3.655 0.345 1 1 1411 . 3 1 1 A 114 114 GLY HA3 H 141 3.820 3.674 0.146 1 1 1412 . 3 1 1 A 114 114 GLY C C 141 172.650 174.853 -2.203 1 1 1413 . 3 1 1 A 114 114 GLY CA C 141 45.100 47.470 -2.370 1 1 1414 . 3 1 1 A 114 114 GLY N N 141 111.410 108.294 3.116 1 1 1 . 4 1 1 A 2 2 SER HA H 29 4.540 4.499 0.041 1 1 4 . 4 1 1 A 2 2 SER C C 29 174.370 175.250 -0.880 1 1 5 . 4 1 1 A 2 2 SER CA C 29 58.380 60.684 -2.304 1 1 6 . 4 1 1 A 2 2 SER CB C 29 63.670 63.788 -0.118 1 1 7 . 4 1 1 A 3 3 SER H H 30 8.530 7.923 0.607 1 1 8 . 4 1 1 A 3 3 SER HA H 30 4.480 4.581 -0.101 1 1 11 . 4 1 1 A 3 3 SER C C 30 174.610 173.532 1.078 1 1 12 . 4 1 1 A 3 3 SER CA C 30 58.380 58.473 -0.093 1 1 13 . 4 1 1 A 3 3 SER CB C 30 63.690 61.499 2.191 1 1 14 . 4 1 1 A 3 3 SER N N 30 117.760 116.898 0.862 1 1 15 . 4 1 1 A 4 4 ASN H H 31 8.600 8.297 0.303 1 1 16 . 4 1 1 A 4 4 ASN HA H 31 4.710 5.101 -0.391 1 1 21 . 4 1 1 A 4 4 ASN C C 31 175.840 174.060 1.780 1 1 22 . 4 1 1 A 4 4 ASN CA C 31 53.880 52.218 1.662 1 1 23 . 4 1 1 A 4 4 ASN CB C 31 38.520 38.826 -0.306 1 1 24 . 4 1 1 A 4 4 ASN N N 31 120.910 125.439 -4.529 1 1 26 . 4 1 1 A 5 5 SER H H 32 8.360 8.156 0.204 1 1 27 . 4 1 1 A 5 5 SER HA H 32 4.420 4.628 -0.208 1 1 30 . 4 1 1 A 5 5 SER C C 32 174.700 173.999 0.701 1 1 31 . 4 1 1 A 5 5 SER CA C 32 59.310 56.845 2.465 1 1 32 . 4 1 1 A 5 5 SER CB C 32 63.410 64.136 -0.726 1 1 33 . 4 1 1 A 5 5 SER N N 32 115.920 118.466 -2.546 1 1 34 . 4 1 1 A 6 6 GLU H H 33 8.370 8.902 -0.532 1 1 35 . 4 1 1 A 6 6 GLU HA H 33 4.530 3.823 0.707 1 1 40 . 4 1 1 A 6 6 GLU C C 33 176.390 175.365 1.025 1 1 41 . 4 1 1 A 6 6 GLU CA C 33 56.510 57.308 -0.798 1 1 42 . 4 1 1 A 6 6 GLU CB C 33 29.850 27.809 2.041 1 1 44 . 4 1 1 A 6 6 GLU N N 33 121.670 119.626 2.044 1 1 45 . 4 1 1 A 7 7 LYS H H 34 8.120 7.604 0.516 1 1 46 . 4 1 1 A 7 7 LYS HA H 34 4.370 4.163 0.207 1 1 55 . 4 1 1 A 7 7 LYS C C 34 176.060 174.825 1.235 1 1 56 . 4 1 1 A 7 7 LYS CA C 34 56.140 54.679 1.461 1 1 57 . 4 1 1 A 7 7 LYS CB C 34 33.200 31.967 1.233 1 1 61 . 4 1 1 A 7 7 LYS N N 34 121.020 118.860 2.160 1 1 62 . 4 1 1 A 8 8 GLU H H 35 8.550 8.506 0.044 1 1 63 . 4 1 1 A 8 8 GLU HA H 35 4.830 4.363 0.467 1 1 68 . 4 1 1 A 8 8 GLU C C 35 175.050 175.167 -0.117 1 1 69 . 4 1 1 A 8 8 GLU CA C 35 56.390 56.073 0.317 1 1 70 . 4 1 1 A 8 8 GLU CB C 35 31.340 29.804 1.536 1 1 72 . 4 1 1 A 8 8 GLU N N 35 122.450 124.042 -1.592 1 1 73 . 4 1 1 A 9 9 TRP H H 36 9.680 8.723 0.957 1 1 74 . 4 1 1 A 9 9 TRP HA H 36 4.860 5.085 -0.225 1 1 80 . 4 1 1 A 9 9 TRP C C 36 175.390 175.797 -0.407 1 1 81 . 4 1 1 A 9 9 TRP CA C 36 55.890 56.379 -0.489 1 1 82 . 4 1 1 A 9 9 TRP CB C 36 30.810 30.112 0.698 1 1 85 . 4 1 1 A 9 9 TRP N N 36 122.800 127.117 -4.317 1 1 87 . 4 1 1 A 10 10 HIS H H 37 9.690 9.054 0.636 1 1 88 . 4 1 1 A 10 10 HIS HA H 37 4.990 5.000 -0.010 1 1 93 . 4 1 1 A 10 10 HIS C C 37 174.840 174.632 0.208 1 1 94 . 4 1 1 A 10 10 HIS CA C 37 54.720 56.008 -1.288 1 1 95 . 4 1 1 A 10 10 HIS CB C 37 29.840 29.328 0.512 1 1 98 . 4 1 1 A 10 10 HIS N N 37 120.400 123.352 -2.952 1 1 99 . 4 1 1 A 11 11 ILE H H 38 7.740 8.308 -0.568 1 1 100 . 4 1 1 A 11 11 ILE HA H 38 4.360 4.506 -0.146 1 1 110 . 4 1 1 A 11 11 ILE C C 38 175.030 175.574 -0.544 1 1 111 . 4 1 1 A 11 11 ILE CA C 38 62.110 62.722 -0.612 1 1 112 . 4 1 1 A 11 11 ILE CB C 38 37.590 37.598 -0.008 1 1 116 . 4 1 1 A 11 11 ILE N N 38 121.700 125.299 -3.599 1 1 117 . 4 1 1 A 12 12 VAL H H 39 9.370 9.414 -0.044 1 1 118 . 4 1 1 A 12 12 VAL HA H 39 4.690 4.559 0.131 1 1 126 . 4 1 1 A 12 12 VAL CA C 39 58.500 58.560 -0.060 1 1 127 . 4 1 1 A 12 12 VAL CB C 39 34.970 33.844 1.126 1 1 130 . 4 1 1 A 12 12 VAL N N 39 130.310 127.663 2.647 1 1 131 . 4 1 1 A 13 13 PRO HA H 40 4.470 4.908 -0.438 1 1 138 . 4 1 1 A 13 13 PRO C C 40 175.070 176.878 -1.808 1 1 139 . 4 1 1 A 13 13 PRO CA C 40 63.130 62.121 1.009 1 1 140 . 4 1 1 A 13 13 PRO CB C 40 33.580 31.892 1.688 1 1 143 . 4 1 1 A 14 14 VAL H H 41 7.970 8.630 -0.660 1 1 144 . 4 1 1 A 14 14 VAL HA H 41 4.170 4.026 0.144 1 1 152 . 4 1 1 A 14 14 VAL C C 41 175.360 176.530 -1.170 1 1 153 . 4 1 1 A 14 14 VAL CA C 41 63.600 64.229 -0.629 1 1 154 . 4 1 1 A 14 14 VAL CB C 41 34.050 32.561 1.489 1 1 157 . 4 1 1 A 14 14 VAL N N 41 119.000 119.990 -0.990 1 1 158 . 4 1 1 A 15 15 SER H H 42 8.040 7.339 0.701 1 1 159 . 4 1 1 A 15 15 SER HA H 42 4.530 4.313 0.217 1 1 162 . 4 1 1 A 15 15 SER C C 42 176.240 174.223 2.017 1 1 163 . 4 1 1 A 15 15 SER CA C 42 57.620 57.407 0.213 1 1 164 . 4 1 1 A 15 15 SER CB C 42 64.250 64.518 -0.268 1 1 165 . 4 1 1 A 15 15 SER N N 42 113.900 115.666 -1.766 1 1 166 . 4 1 1 A 16 16 LYS H H 43 8.690 8.769 -0.079 1 1 167 . 4 1 1 A 16 16 LYS HA H 43 2.830 3.145 -0.315 1 1 176 . 4 1 1 A 16 16 LYS C C 43 177.790 178.630 -0.840 1 1 177 . 4 1 1 A 16 16 LYS CA C 43 58.100 59.358 -1.258 1 1 178 . 4 1 1 A 16 16 LYS CB C 43 31.840 32.466 -0.626 1 1 182 . 4 1 1 A 16 16 LYS N N 43 124.940 125.968 -1.028 1 1 183 . 4 1 1 A 17 17 ASP H H 44 8.590 7.840 0.750 1 1 184 . 4 1 1 A 17 17 ASP HA H 44 4.100 4.301 -0.201 1 1 187 . 4 1 1 A 17 17 ASP C C 44 176.670 176.851 -0.181 1 1 188 . 4 1 1 A 17 17 ASP CA C 44 55.580 56.583 -1.003 1 1 189 . 4 1 1 A 17 17 ASP CB C 44 39.300 40.679 -1.379 1 1 190 . 4 1 1 A 17 17 ASP N N 44 118.140 118.986 -0.846 1 1 191 . 4 1 1 A 18 18 TYR H H 45 7.870 7.695 0.175 1 1 192 . 4 1 1 A 18 18 TYR HA H 45 4.550 4.640 -0.090 1 1 199 . 4 1 1 A 18 18 TYR C C 45 174.860 176.582 -1.722 1 1 200 . 4 1 1 A 18 18 TYR CA C 45 58.510 57.764 0.746 1 1 201 . 4 1 1 A 18 18 TYR CB C 45 39.470 38.547 0.923 1 1 206 . 4 1 1 A 18 18 TYR N N 45 115.260 116.895 -1.635 1 1 207 . 4 1 1 A 19 19 PHE H H 46 7.430 7.902 -0.472 1 1 208 . 4 1 1 A 19 19 PHE HA H 46 4.360 4.437 -0.077 1 1 215 . 4 1 1 A 19 19 PHE C C 46 176.950 177.073 -0.123 1 1 216 . 4 1 1 A 19 19 PHE CA C 46 59.340 60.878 -1.538 1 1 217 . 4 1 1 A 19 19 PHE CB C 46 37.870 37.997 -0.127 1 1 222 . 4 1 1 A 19 19 PHE N N 46 120.020 121.175 -1.155 1 1 223 . 4 1 1 A 20 20 SER H H 47 8.620 7.847 0.773 1 1 224 . 4 1 1 A 20 20 SER HA H 47 4.430 4.646 -0.216 1 1 227 . 4 1 1 A 20 20 SER C C 47 173.980 175.094 -1.114 1 1 228 . 4 1 1 A 20 20 SER CA C 47 58.660 58.511 0.149 1 1 229 . 4 1 1 A 20 20 SER CB C 47 62.850 63.937 -1.087 1 1 230 . 4 1 1 A 20 20 SER N N 47 111.500 111.893 -0.393 1 1 231 . 4 1 1 A 21 21 ILE H H 48 7.660 7.579 0.081 1 1 232 . 4 1 1 A 21 21 ILE HA H 48 4.110 4.203 -0.093 1 1 242 . 4 1 1 A 21 21 ILE CA C 48 59.780 60.717 -0.937 1 1 243 . 4 1 1 A 21 21 ILE CB C 48 38.330 37.972 0.358 1 1 247 . 4 1 1 A 21 21 ILE N N 48 119.380 124.213 -4.833 1 1 248 . 4 1 1 A 22 22 PRO HA H 49 4.500 4.555 -0.055 1 1 255 . 4 1 1 A 22 22 PRO C C 49 176.110 177.533 -1.423 1 1 256 . 4 1 1 A 22 22 PRO CA C 49 62.880 62.665 0.215 1 1 257 . 4 1 1 A 22 22 PRO CB C 49 32.570 33.351 -0.781 1 1 260 . 4 1 1 A 23 23 ASN H H 50 8.630 8.844 -0.214 1 1 261 . 4 1 1 A 23 23 ASN HA H 50 4.800 4.528 0.272 1 1 266 . 4 1 1 A 23 23 ASN C C 50 176.580 174.935 1.645 1 1 267 . 4 1 1 A 23 23 ASN CA C 50 53.610 56.082 -2.472 1 1 268 . 4 1 1 A 23 23 ASN CB C 50 38.490 38.806 -0.316 1 1 269 . 4 1 1 A 23 23 ASN N N 50 117.590 118.642 -1.052 1 1 271 . 4 1 1 A 24 24 ASP H H 51 8.580 7.878 0.702 1 1 272 . 4 1 1 A 24 24 ASP HA H 51 4.760 5.035 -0.275 1 1 275 . 4 1 1 A 24 24 ASP C C 51 175.090 174.057 1.033 1 1 276 . 4 1 1 A 24 24 ASP CA C 51 52.500 54.347 -1.847 1 1 277 . 4 1 1 A 24 24 ASP CB C 51 39.840 42.697 -2.857 1 1 278 . 4 1 1 A 24 24 ASP N N 51 120.490 117.817 2.673 1 1 279 . 4 1 1 A 25 25 LEU H H 52 8.400 9.140 -0.740 1 1 280 . 4 1 1 A 25 25 LEU HA H 52 4.390 5.101 -0.711 1 1 290 . 4 1 1 A 25 25 LEU C C 52 176.340 175.937 0.403 1 1 291 . 4 1 1 A 25 25 LEU CA C 52 55.460 53.558 1.902 1 1 292 . 4 1 1 A 25 25 LEU CB C 52 43.270 44.336 -1.066 1 1 296 . 4 1 1 A 25 25 LEU N N 52 119.530 127.013 -7.483 1 1 297 . 4 1 1 A 26 26 LEU H H 53 8.840 9.467 -0.627 1 1 298 . 4 1 1 A 26 26 LEU HA H 53 5.140 4.787 0.353 1 1 308 . 4 1 1 A 26 26 LEU C C 53 174.620 174.797 -0.177 1 1 309 . 4 1 1 A 26 26 LEU CA C 53 52.840 52.929 -0.089 1 1 310 . 4 1 1 A 26 26 LEU CB C 53 44.070 42.923 1.147 1 1 314 . 4 1 1 A 26 26 LEU N N 53 126.610 122.923 3.687 1 1 315 . 4 1 1 A 27 27 TRP H H 54 9.230 9.373 -0.143 1 1 316 . 4 1 1 A 27 27 TRP HA H 54 5.570 5.177 0.393 1 1 325 . 4 1 1 A 27 27 TRP C C 54 175.740 174.705 1.035 1 1 326 . 4 1 1 A 27 27 TRP CA C 54 54.510 55.111 -0.601 1 1 327 . 4 1 1 A 27 27 TRP CB C 54 31.710 33.020 -1.310 1 1 333 . 4 1 1 A 27 27 TRP N N 54 122.650 128.271 -5.621 1 1 335 . 4 1 1 A 28 28 SER H H 55 9.240 8.635 0.605 1 1 336 . 4 1 1 A 28 28 SER HA H 55 5.490 5.152 0.338 1 1 339 . 4 1 1 A 28 28 SER C C 55 173.440 173.056 0.384 1 1 340 . 4 1 1 A 28 28 SER CA C 55 56.990 57.039 -0.049 1 1 341 . 4 1 1 A 28 28 SER CB C 55 66.150 65.562 0.588 1 1 342 . 4 1 1 A 28 28 SER N N 55 121.970 122.625 -0.655 1 1 343 . 4 1 1 A 29 29 PHE H H 56 9.590 9.201 0.389 1 1 344 . 4 1 1 A 29 29 PHE HA H 56 5.150 4.784 0.366 1 1 352 . 4 1 1 A 29 29 PHE C C 56 175.810 175.707 0.103 1 1 353 . 4 1 1 A 29 29 PHE CA C 56 57.180 59.634 -2.454 1 1 354 . 4 1 1 A 29 29 PHE CB C 56 42.370 39.435 2.935 1 1 360 . 4 1 1 A 29 29 PHE N N 56 121.420 125.544 -4.124 1 1 361 . 4 1 1 A 30 30 ASN H H 57 9.400 9.206 0.194 1 1 362 . 4 1 1 A 30 30 ASN HA H 57 5.220 4.919 0.301 1 1 367 . 4 1 1 A 30 30 ASN C C 57 176.540 176.147 0.393 1 1 368 . 4 1 1 A 30 30 ASN CA C 57 52.320 51.987 0.333 1 1 369 . 4 1 1 A 30 30 ASN CB C 57 38.520 38.023 0.497 1 1 370 . 4 1 1 A 30 30 ASN N N 57 120.660 123.524 -2.864 1 1 372 . 4 1 1 A 31 31 THR H H 58 9.180 8.353 0.827 1 1 373 . 4 1 1 A 31 31 THR HA H 58 4.800 4.647 0.153 1 1 378 . 4 1 1 A 31 31 THR C C 58 176.950 175.692 1.258 1 1 379 . 4 1 1 A 31 31 THR CA C 58 63.430 62.784 0.646 1 1 380 . 4 1 1 A 31 31 THR CB C 58 68.110 69.433 -1.323 1 1 382 . 4 1 1 A 31 31 THR N N 58 114.630 117.899 -3.269 1 1 383 . 4 1 1 A 32 32 THR H H 59 8.450 7.746 0.704 1 1 384 . 4 1 1 A 32 32 THR HA H 59 4.130 4.711 -0.581 1 1 389 . 4 1 1 A 32 32 THR C C 59 175.130 175.766 -0.636 1 1 390 . 4 1 1 A 32 32 THR CA C 59 65.550 64.753 0.797 1 1 391 . 4 1 1 A 32 32 THR CB C 59 68.200 69.377 -1.177 1 1 393 . 4 1 1 A 32 32 THR N N 59 120.020 116.421 3.599 1 1 394 . 4 1 1 A 33 33 ASN H H 60 7.500 8.117 -0.617 1 1 395 . 4 1 1 A 33 33 ASN HA H 60 4.690 4.840 -0.150 1 1 400 . 4 1 1 A 33 33 ASN C C 60 174.230 174.480 -0.250 1 1 401 . 4 1 1 A 33 33 ASN CA C 60 51.650 52.667 -1.017 1 1 402 . 4 1 1 A 33 33 ASN CB C 60 37.870 39.615 -1.745 1 1 403 . 4 1 1 A 33 33 ASN N N 60 117.490 116.451 1.039 1 1 405 . 4 1 1 A 34 34 LYS H H 61 7.580 7.700 -0.120 1 1 406 . 4 1 1 A 34 34 LYS HA H 61 3.500 4.279 -0.779 1 1 415 . 4 1 1 A 34 34 LYS C C 61 172.880 175.071 -2.191 1 1 416 . 4 1 1 A 34 34 LYS CA C 61 57.160 57.321 -0.161 1 1 417 . 4 1 1 A 34 34 LYS CB C 61 28.540 29.955 -1.415 1 1 421 . 4 1 1 A 34 34 LYS N N 61 118.030 117.108 0.922 1 1 422 . 4 1 1 A 35 35 SER H H 62 8.560 8.815 -0.255 1 1 423 . 4 1 1 A 35 35 SER HA H 62 5.670 4.894 0.776 1 1 426 . 4 1 1 A 35 35 SER C C 62 173.510 172.864 0.646 1 1 427 . 4 1 1 A 35 35 SER CA C 62 56.110 57.062 -0.952 1 1 428 . 4 1 1 A 35 35 SER CB C 62 67.800 64.392 3.408 1 1 429 . 4 1 1 A 35 35 SER N N 62 109.720 113.536 -3.816 1 1 430 . 4 1 1 A 36 36 ILE H H 63 8.750 9.763 -1.013 1 1 431 . 4 1 1 A 36 36 ILE HA H 63 4.940 4.854 0.086 1 1 441 . 4 1 1 A 36 36 ILE C C 63 174.660 174.773 -0.113 1 1 442 . 4 1 1 A 36 36 ILE CA C 63 58.180 60.459 -2.279 1 1 443 . 4 1 1 A 36 36 ILE CB C 63 40.660 39.030 1.630 1 1 447 . 4 1 1 A 36 36 ILE N N 63 117.490 124.190 -6.700 1 1 448 . 4 1 1 A 37 37 ASN H H 64 8.400 8.745 -0.345 1 1 449 . 4 1 1 A 37 37 ASN HA H 64 5.650 5.618 0.032 1 1 454 . 4 1 1 A 37 37 ASN C C 64 173.490 174.103 -0.613 1 1 455 . 4 1 1 A 37 37 ASN CA C 64 51.670 52.377 -0.707 1 1 456 . 4 1 1 A 37 37 ASN CB C 64 41.900 39.378 2.522 1 1 457 . 4 1 1 A 37 37 ASN N N 64 122.180 126.037 -3.857 1 1 459 . 4 1 1 A 38 38 VAL H H 65 8.900 8.846 0.054 1 1 460 . 4 1 1 A 38 38 VAL HA H 65 5.540 4.500 1.040 1 1 468 . 4 1 1 A 38 38 VAL C C 65 174.590 175.020 -0.430 1 1 469 . 4 1 1 A 38 38 VAL CA C 65 60.060 61.192 -1.132 1 1 470 . 4 1 1 A 38 38 VAL CB C 65 34.870 32.652 2.218 1 1 473 . 4 1 1 A 38 38 VAL N N 65 122.060 125.446 -3.386 1 1 474 . 4 1 1 A 39 39 TYR H H 66 8.910 8.776 0.134 1 1 475 . 4 1 1 A 39 39 TYR HA H 66 5.490 5.672 -0.182 1 1 482 . 4 1 1 A 39 39 TYR C C 66 172.810 173.315 -0.505 1 1 483 . 4 1 1 A 39 39 TYR CA C 66 56.220 55.456 0.764 1 1 484 . 4 1 1 A 39 39 TYR CB C 66 40.620 42.068 -1.448 1 1 489 . 4 1 1 A 39 39 TYR N N 66 123.530 124.379 -0.849 1 1 490 . 4 1 1 A 40 40 SER H H 67 8.970 9.412 -0.442 1 1 491 . 4 1 1 A 40 40 SER HA H 67 4.780 4.886 -0.106 1 1 495 . 4 1 1 A 40 40 SER C C 67 174.360 174.718 -0.358 1 1 496 . 4 1 1 A 40 40 SER CA C 67 56.580 56.723 -0.143 1 1 497 . 4 1 1 A 40 40 SER CB C 67 66.290 65.906 0.384 1 1 498 . 4 1 1 A 40 40 SER N N 67 115.210 114.586 0.624 1 1 499 . 4 1 1 A 41 41 LYS H H 68 9.020 8.786 0.234 1 1 500 . 4 1 1 A 41 41 LYS HA H 68 4.210 4.053 0.157 1 1 509 . 4 1 1 A 41 41 LYS C C 68 177.730 176.635 1.095 1 1 510 . 4 1 1 A 41 41 LYS CA C 68 59.240 58.654 0.586 1 1 511 . 4 1 1 A 41 41 LYS CB C 68 31.660 31.805 -0.145 1 1 515 . 4 1 1 A 41 41 LYS N N 68 118.790 118.494 0.296 1 1 516 . 4 1 1 A 42 42 CYS H H 69 8.090 7.462 0.628 1 1 517 . 4 1 1 A 42 42 CYS HA H 69 4.750 4.701 0.049 1 1 520 . 4 1 1 A 42 42 CYS C C 69 173.260 173.934 -0.674 1 1 521 . 4 1 1 A 42 42 CYS CA C 69 52.780 57.050 -4.270 1 1 522 . 4 1 1 A 42 42 CYS CB C 69 39.470 44.264 -4.794 1 1 523 . 4 1 1 A 42 42 CYS N N 69 113.650 114.941 -1.291 1 1 524 . 4 1 1 A 43 43 ILE H H 70 7.550 7.831 -0.281 1 1 525 . 4 1 1 A 43 43 ILE HA H 70 5.210 4.517 0.693 1 1 535 . 4 1 1 A 43 43 ILE C C 70 171.870 175.067 -3.197 1 1 536 . 4 1 1 A 43 43 ILE CA C 70 59.800 62.358 -2.558 1 1 537 . 4 1 1 A 43 43 ILE CB C 70 42.550 38.723 3.827 1 1 541 . 4 1 1 A 43 43 ILE N N 70 118.580 121.434 -2.854 1 1 542 . 4 1 1 A 44 44 SER H H 71 8.190 8.827 -0.637 1 1 543 . 4 1 1 A 44 44 SER HA H 71 5.190 5.214 -0.024 1 1 546 . 4 1 1 A 44 44 SER C C 71 173.790 172.974 0.816 1 1 547 . 4 1 1 A 44 44 SER CA C 71 56.980 58.055 -1.075 1 1 548 . 4 1 1 A 44 44 SER CB C 71 64.910 65.105 -0.195 1 1 549 . 4 1 1 A 44 44 SER N N 71 117.640 122.915 -5.275 1 1 550 . 4 1 1 A 45 45 GLY H H 72 9.720 9.055 0.665 1 1 551 . 4 1 1 A 45 45 GLY HA2 H 72 5.280 4.448 0.832 1 1 552 . 4 1 1 A 45 45 GLY HA3 H 72 3.460 4.452 -0.992 1 1 553 . 4 1 1 A 45 45 GLY C C 72 171.300 172.135 -0.835 1 1 554 . 4 1 1 A 45 45 GLY CA C 72 45.230 44.373 0.857 1 1 555 . 4 1 1 A 45 45 GLY N N 72 114.160 113.768 0.392 1 1 556 . 4 1 1 A 46 46 LYS H H 73 8.340 8.805 -0.465 1 1 557 . 4 1 1 A 46 46 LYS HA H 73 5.530 5.384 0.146 1 1 566 . 4 1 1 A 46 46 LYS C C 73 174.510 174.419 0.091 1 1 567 . 4 1 1 A 46 46 LYS CA C 73 54.930 54.789 0.141 1 1 568 . 4 1 1 A 46 46 LYS CB C 73 36.420 36.376 0.044 1 1 572 . 4 1 1 A 46 46 LYS N N 73 123.520 121.405 2.115 1 1 573 . 4 1 1 A 47 47 ALA H H 74 8.440 8.023 0.417 1 1 574 . 4 1 1 A 47 47 ALA HA H 74 4.400 5.391 -0.991 1 1 578 . 4 1 1 A 47 47 ALA C C 74 175.850 175.828 0.022 1 1 579 . 4 1 1 A 47 47 ALA CA C 74 49.860 51.150 -1.290 1 1 580 . 4 1 1 A 47 47 ALA CB C 74 20.750 22.486 -1.736 1 1 581 . 4 1 1 A 47 47 ALA N N 74 125.710 125.171 0.539 1 1 582 . 4 1 1 A 48 48 VAL H H 75 7.840 8.171 -0.331 1 1 583 . 4 1 1 A 48 48 VAL HA H 75 4.640 4.366 0.274 1 1 591 . 4 1 1 A 48 48 VAL C C 75 176.660 175.121 1.539 1 1 592 . 4 1 1 A 48 48 VAL CA C 75 61.160 61.133 0.027 1 1 593 . 4 1 1 A 48 48 VAL CB C 75 32.180 33.454 -1.274 1 1 596 . 4 1 1 A 48 48 VAL N N 75 120.660 119.100 1.560 1 1 597 . 4 1 1 A 49 49 TYR H H 76 8.340 8.254 0.086 1 1 598 . 4 1 1 A 49 49 TYR HA H 76 5.230 5.534 -0.304 1 1 605 . 4 1 1 A 49 49 TYR C C 76 173.480 174.536 -1.056 1 1 606 . 4 1 1 A 49 49 TYR CA C 76 54.940 55.254 -0.314 1 1 607 . 4 1 1 A 49 49 TYR CB C 76 42.030 41.053 0.977 1 1 612 . 4 1 1 A 49 49 TYR N N 76 126.510 125.380 1.130 1 1 613 . 4 1 1 A 50 50 SER H H 77 8.360 8.290 0.070 1 1 614 . 4 1 1 A 50 50 SER HA H 77 4.560 5.048 -0.488 1 1 617 . 4 1 1 A 50 50 SER C C 77 171.180 172.759 -1.579 1 1 618 . 4 1 1 A 50 50 SER CA C 77 56.890 57.232 -0.342 1 1 619 . 4 1 1 A 50 50 SER CB C 77 65.650 66.121 -0.471 1 1 620 . 4 1 1 A 50 50 SER N N 77 111.300 116.022 -4.722 1 1 621 . 4 1 1 A 51 51 PHE H H 78 8.660 8.819 -0.159 1 1 622 . 4 1 1 A 51 51 PHE HA H 78 5.860 5.733 0.127 1 1 630 . 4 1 1 A 51 51 PHE C C 78 176.800 174.518 2.282 1 1 631 . 4 1 1 A 51 51 PHE CA C 78 56.090 56.374 -0.284 1 1 632 . 4 1 1 A 51 51 PHE CB C 78 42.280 42.081 0.199 1 1 638 . 4 1 1 A 51 51 PHE N N 78 116.710 121.423 -4.713 1 1 639 . 4 1 1 A 52 52 ASN H H 79 9.190 9.201 -0.011 1 1 640 . 4 1 1 A 52 52 ASN HA H 79 4.900 5.193 -0.293 1 1 645 . 4 1 1 A 52 52 ASN C C 79 174.870 174.610 0.260 1 1 646 . 4 1 1 A 52 52 ASN CA C 79 53.300 52.523 0.777 1 1 647 . 4 1 1 A 52 52 ASN CB C 79 41.350 40.812 0.538 1 1 648 . 4 1 1 A 52 52 ASN N N 79 119.620 120.798 -1.178 1 1 650 . 4 1 1 A 53 53 ALA H H 80 9.650 9.244 0.406 1 1 651 . 4 1 1 A 53 53 ALA HA H 80 4.110 4.098 0.012 1 1 655 . 4 1 1 A 53 53 ALA C C 80 176.800 177.095 -0.295 1 1 656 . 4 1 1 A 53 53 ALA CA C 80 52.860 53.390 -0.530 1 1 657 . 4 1 1 A 53 53 ALA CB C 80 16.760 17.897 -1.137 1 1 658 . 4 1 1 A 53 53 ALA N N 80 131.210 129.984 1.226 1 1 659 . 4 1 1 A 54 54 GLY H H 81 8.850 8.534 0.316 1 1 660 . 4 1 1 A 54 54 GLY HA2 H 81 4.320 3.894 0.426 1 1 661 . 4 1 1 A 54 54 GLY HA3 H 81 4.220 3.912 0.308 1 1 662 . 4 1 1 A 54 54 GLY C C 81 173.950 174.204 -0.254 1 1 663 . 4 1 1 A 54 54 GLY CA C 81 45.320 45.300 0.020 1 1 664 . 4 1 1 A 54 54 GLY N N 81 104.570 102.638 1.932 1 1 665 . 4 1 1 A 55 55 LYS H H 82 8.030 7.820 0.210 1 1 666 . 4 1 1 A 55 55 LYS HA H 82 4.910 4.403 0.507 1 1 675 . 4 1 1 A 55 55 LYS C C 82 174.120 175.974 -1.854 1 1 676 . 4 1 1 A 55 55 LYS CA C 82 54.350 56.215 -1.865 1 1 677 . 4 1 1 A 55 55 LYS CB C 82 34.010 32.548 1.462 1 1 681 . 4 1 1 A 55 55 LYS N N 82 120.230 120.625 -0.395 1 1 682 . 4 1 1 A 56 56 PHE H H 83 9.390 9.461 -0.071 1 1 683 . 4 1 1 A 56 56 PHE HA H 83 4.250 4.681 -0.431 1 1 691 . 4 1 1 A 56 56 PHE C C 83 173.870 174.434 -0.564 1 1 692 . 4 1 1 A 56 56 PHE CA C 83 56.630 57.531 -0.901 1 1 693 . 4 1 1 A 56 56 PHE CB C 83 40.940 40.522 0.418 1 1 699 . 4 1 1 A 56 56 PHE N N 83 125.150 125.962 -0.812 1 1 700 . 4 1 1 A 57 57 MET H H 84 8.270 8.777 -0.507 1 1 701 . 4 1 1 A 57 57 MET HA H 84 5.140 6.075 -0.935 1 1 709 . 4 1 1 A 57 57 MET C C 84 174.090 174.853 -0.763 1 1 710 . 4 1 1 A 57 57 MET CA C 84 53.600 53.982 -0.382 1 1 711 . 4 1 1 A 57 57 MET CB C 84 36.190 37.602 -1.412 1 1 714 . 4 1 1 A 57 57 MET N N 84 124.270 124.620 -0.350 1 1 715 . 4 1 1 A 58 58 GLY H H 85 7.420 8.216 -0.796 1 1 716 . 4 1 1 A 58 58 GLY HA2 H 85 3.900 3.781 0.119 1 1 717 . 4 1 1 A 58 58 GLY HA3 H 85 2.790 3.915 -1.125 1 1 718 . 4 1 1 A 58 58 GLY C C 85 169.900 171.898 -1.998 1 1 719 . 4 1 1 A 58 58 GLY CA C 85 45.620 45.162 0.458 1 1 720 . 4 1 1 A 58 58 GLY N N 85 103.440 107.506 -4.066 1 1 721 . 4 1 1 A 59 59 ASN H H 86 8.410 8.917 -0.507 1 1 722 . 4 1 1 A 59 59 ASN HA H 86 4.890 4.840 0.050 1 1 727 . 4 1 1 A 59 59 ASN C C 86 174.650 174.482 0.168 1 1 728 . 4 1 1 A 59 59 ASN CA C 86 51.110 53.004 -1.894 1 1 729 . 4 1 1 A 59 59 ASN CB C 86 38.140 38.885 -0.745 1 1 730 . 4 1 1 A 59 59 ASN N N 86 122.270 122.351 -0.081 1 1 732 . 4 1 1 A 60 60 PHE H H 87 8.870 8.982 -0.112 1 1 733 . 4 1 1 A 60 60 PHE HA H 87 4.120 5.154 -1.034 1 1 741 . 4 1 1 A 60 60 PHE C C 87 175.620 175.224 0.396 1 1 742 . 4 1 1 A 60 60 PHE CA C 87 58.850 56.807 2.043 1 1 743 . 4 1 1 A 60 60 PHE CB C 87 39.910 40.820 -0.910 1 1 749 . 4 1 1 A 60 60 PHE N N 87 123.420 126.278 -2.858 1 1 750 . 4 1 1 A 61 61 ASN H H 88 8.610 9.576 -0.966 1 1 751 . 4 1 1 A 61 61 ASN HA H 88 4.900 5.286 -0.386 1 1 756 . 4 1 1 A 61 61 ASN C C 88 175.090 173.890 1.200 1 1 757 . 4 1 1 A 61 61 ASN CA C 88 52.690 52.218 0.472 1 1 758 . 4 1 1 A 61 61 ASN CB C 88 39.830 39.807 0.023 1 1 759 . 4 1 1 A 61 61 ASN N N 88 121.520 119.935 1.585 1 1 761 . 4 1 1 A 62 62 VAL H H 89 8.890 8.634 0.256 1 1 762 . 4 1 1 A 62 62 VAL HA H 89 4.820 4.668 0.152 1 1 770 . 4 1 1 A 62 62 VAL C C 89 174.650 174.458 0.192 1 1 771 . 4 1 1 A 62 62 VAL CA C 89 60.870 61.369 -0.499 1 1 772 . 4 1 1 A 62 62 VAL CB C 89 34.690 33.908 0.782 1 1 775 . 4 1 1 A 62 62 VAL N N 89 123.750 124.533 -0.783 1 1 776 . 4 1 1 A 63 63 LYS H H 90 8.750 9.270 -0.520 1 1 777 . 4 1 1 A 63 63 LYS HA H 90 4.670 4.974 -0.304 1 1 786 . 4 1 1 A 63 63 LYS C C 90 174.990 175.336 -0.346 1 1 787 . 4 1 1 A 63 63 LYS CA C 90 55.010 55.120 -0.110 1 1 788 . 4 1 1 A 63 63 LYS CB C 90 34.030 34.194 -0.164 1 1 792 . 4 1 1 A 63 63 LYS N N 90 126.210 127.969 -1.759 1 1 793 . 4 1 1 A 64 64 GLU H H 91 9.170 9.046 0.124 1 1 794 . 4 1 1 A 64 64 GLU HA H 91 5.020 5.242 -0.222 1 1 799 . 4 1 1 A 64 64 GLU C C 91 175.680 175.390 0.290 1 1 800 . 4 1 1 A 64 64 GLU CA C 91 54.400 54.990 -0.590 1 1 801 . 4 1 1 A 64 64 GLU CB C 91 32.690 33.468 -0.778 1 1 803 . 4 1 1 A 64 64 GLU N N 91 128.500 128.106 0.394 1 1 804 . 4 1 1 A 65 65 VAL H H 92 8.330 9.206 -0.876 1 1 805 . 4 1 1 A 65 65 VAL HA H 92 3.880 5.009 -1.129 1 1 813 . 4 1 1 A 65 65 VAL C C 92 175.940 173.680 2.260 1 1 814 . 4 1 1 A 65 65 VAL CA C 92 62.290 60.086 2.204 1 1 815 . 4 1 1 A 65 65 VAL CB C 92 32.080 34.193 -2.113 1 1 818 . 4 1 1 A 65 65 VAL N N 92 126.870 120.075 6.795 1 1 819 . 4 1 1 A 66 66 ASP H H 93 8.810 8.892 -0.082 1 1 820 . 4 1 1 A 66 66 ASP HA H 93 4.440 5.335 -0.895 1 1 823 . 4 1 1 A 66 66 ASP C C 93 177.330 176.685 0.645 1 1 824 . 4 1 1 A 66 66 ASP CA C 93 55.950 52.688 3.262 1 1 825 . 4 1 1 A 66 66 ASP CB C 93 40.760 43.450 -2.690 1 1 826 . 4 1 1 A 66 66 ASP N N 93 130.720 123.394 7.326 1 1 827 . 4 1 1 A 67 67 GLY H H 94 8.910 8.919 -0.009 1 1 828 . 4 1 1 A 67 67 GLY HA2 H 94 4.020 3.922 0.098 1 1 829 . 4 1 1 A 67 67 GLY HA3 H 94 3.820 3.934 -0.114 1 1 830 . 4 1 1 A 67 67 GLY C C 94 173.530 174.786 -1.256 1 1 831 . 4 1 1 A 67 67 GLY CA C 94 45.830 45.118 0.712 1 1 832 . 4 1 1 A 67 67 GLY N N 94 112.760 113.213 -0.453 1 1 833 . 4 1 1 A 68 68 CYS H H 95 7.540 7.985 -0.445 1 1 834 . 4 1 1 A 68 68 CYS HA H 95 4.260 4.210 0.050 1 1 837 . 4 1 1 A 68 68 CYS C C 95 175.640 175.159 0.481 1 1 838 . 4 1 1 A 68 68 CYS CA C 95 58.280 59.209 -0.929 1 1 839 . 4 1 1 A 68 68 CYS CB C 95 38.240 42.264 -4.024 1 1 840 . 4 1 1 A 68 68 CYS N N 95 119.700 119.989 -0.289 1 1 841 . 4 1 1 A 69 69 PHE H H 96 8.850 7.717 1.133 1 1 842 . 4 1 1 A 69 69 PHE HA H 96 5.010 4.614 0.396 1 1 850 . 4 1 1 A 69 69 PHE C C 96 177.330 175.363 1.967 1 1 851 . 4 1 1 A 69 69 PHE CA C 96 56.460 57.713 -1.253 1 1 852 . 4 1 1 A 69 69 PHE CB C 96 40.020 38.839 1.181 1 1 858 . 4 1 1 A 69 69 PHE N N 96 117.790 117.402 0.388 1 1 859 . 4 1 1 A 70 70 MET H H 97 8.710 8.304 0.406 1 1 860 . 4 1 1 A 70 70 MET HA H 97 4.700 4.149 0.551 1 1 868 . 4 1 1 A 70 70 MET C C 97 177.650 176.016 1.634 1 1 869 . 4 1 1 A 70 70 MET CA C 97 54.570 57.605 -3.035 1 1 870 . 4 1 1 A 70 70 MET CB C 97 33.990 31.473 2.517 1 1 873 . 4 1 1 A 70 70 MET N N 97 119.890 115.646 4.244 1 1 874 . 4 1 1 A 71 71 ASP H H 98 8.980 8.641 0.339 1 1 875 . 4 1 1 A 71 71 ASP HA H 98 4.280 4.836 -0.556 1 1 878 . 4 1 1 A 71 71 ASP C C 98 177.920 176.914 1.006 1 1 879 . 4 1 1 A 71 71 ASP CA C 98 58.380 55.413 2.967 1 1 880 . 4 1 1 A 71 71 ASP CB C 98 40.100 43.367 -3.267 1 1 881 . 4 1 1 A 71 71 ASP N N 98 123.440 124.506 -1.066 1 1 882 . 4 1 1 A 72 72 ALA H H 99 8.950 8.117 0.833 1 1 883 . 4 1 1 A 72 72 ALA HA H 99 4.030 4.098 -0.068 1 1 887 . 4 1 1 A 72 72 ALA C C 99 180.740 179.437 1.303 1 1 888 . 4 1 1 A 72 72 ALA CA C 99 55.020 54.578 0.442 1 1 889 . 4 1 1 A 72 72 ALA CB C 99 18.280 18.316 -0.036 1 1 890 . 4 1 1 A 72 72 ALA N N 99 119.200 122.321 -3.121 1 1 891 . 4 1 1 A 73 73 GLN H H 100 7.120 7.783 -0.663 1 1 892 . 4 1 1 A 73 73 GLN HA H 100 4.020 4.511 -0.491 1 1 899 . 4 1 1 A 73 73 GLN C C 100 176.880 178.396 -1.516 1 1 900 . 4 1 1 A 73 73 GLN CA C 100 57.720 58.708 -0.988 1 1 901 . 4 1 1 A 73 73 GLN CB C 100 28.940 28.345 0.595 1 1 903 . 4 1 1 A 73 73 GLN N N 100 115.380 118.132 -2.752 1 1 905 . 4 1 1 A 74 74 LYS H H 101 7.760 7.794 -0.034 1 1 906 . 4 1 1 A 74 74 LYS HA H 101 3.510 4.044 -0.534 1 1 915 . 4 1 1 A 74 74 LYS C C 101 177.610 178.549 -0.939 1 1 916 . 4 1 1 A 74 74 LYS CA C 101 58.500 58.928 -0.428 1 1 917 . 4 1 1 A 74 74 LYS CB C 101 31.790 32.492 -0.702 1 1 921 . 4 1 1 A 74 74 LYS N N 101 119.560 121.141 -1.581 1 1 922 . 4 1 1 A 75 75 ILE H H 102 7.760 8.087 -0.327 1 1 923 . 4 1 1 A 75 75 ILE HA H 102 3.750 3.581 0.169 1 1 933 . 4 1 1 A 75 75 ILE C C 102 178.530 177.612 0.918 1 1 934 . 4 1 1 A 75 75 ILE CA C 102 64.200 65.596 -1.396 1 1 935 . 4 1 1 A 75 75 ILE CB C 102 38.170 37.574 0.596 1 1 939 . 4 1 1 A 75 75 ILE N N 102 117.490 120.090 -2.600 1 1 940 . 4 1 1 A 76 76 ALA H H 103 7.090 8.654 -1.564 1 1 941 . 4 1 1 A 76 76 ALA HA H 103 3.990 3.830 0.160 1 1 945 . 4 1 1 A 76 76 ALA C C 103 178.650 180.265 -1.615 1 1 946 . 4 1 1 A 76 76 ALA CA C 103 55.020 55.228 -0.208 1 1 947 . 4 1 1 A 76 76 ALA CB C 103 18.570 18.423 0.147 1 1 948 . 4 1 1 A 76 76 ALA N N 103 121.190 122.001 -0.811 1 1 949 . 4 1 1 A 77 77 ILE H H 104 8.150 7.800 0.350 1 1 950 . 4 1 1 A 77 77 ILE HA H 104 3.420 3.470 -0.050 1 1 960 . 4 1 1 A 77 77 ILE C C 104 176.670 177.210 -0.540 1 1 961 . 4 1 1 A 77 77 ILE CA C 104 63.130 64.685 -1.555 1 1 962 . 4 1 1 A 77 77 ILE CB C 104 36.680 36.501 0.179 1 1 966 . 4 1 1 A 77 77 ILE N N 104 119.240 118.454 0.786 1 1 967 . 4 1 1 A 78 78 ASP H H 105 8.290 8.689 -0.399 1 1 968 . 4 1 1 A 78 78 ASP HA H 105 4.440 4.209 0.231 1 1 971 . 4 1 1 A 78 78 ASP C C 105 180.350 178.566 1.784 1 1 972 . 4 1 1 A 78 78 ASP CA C 105 57.440 57.819 -0.379 1 1 973 . 4 1 1 A 78 78 ASP CB C 105 39.430 41.818 -2.388 1 1 974 . 4 1 1 A 78 78 ASP N N 105 121.080 121.819 -0.739 1 1 975 . 4 1 1 A 79 79 LYS H H 106 7.960 8.067 -0.107 1 1 976 . 4 1 1 A 79 79 LYS HA H 106 4.010 4.046 -0.036 1 1 985 . 4 1 1 A 79 79 LYS C C 106 178.580 178.986 -0.406 1 1 986 . 4 1 1 A 79 79 LYS CA C 106 59.780 59.318 0.462 1 1 987 . 4 1 1 A 79 79 LYS CB C 106 31.800 32.359 -0.559 1 1 991 . 4 1 1 A 79 79 LYS N N 106 121.340 118.717 2.623 1 1 992 . 4 1 1 A 80 80 LEU H H 107 8.230 8.067 0.163 1 1 993 . 4 1 1 A 80 80 LEU HA H 107 3.990 4.143 -0.153 1 1 1003 . 4 1 1 A 80 80 LEU C C 107 178.230 178.312 -0.082 1 1 1004 . 4 1 1 A 80 80 LEU CA C 107 58.570 58.169 0.401 1 1 1005 . 4 1 1 A 80 80 LEU CB C 107 41.110 41.578 -0.468 1 1 1009 . 4 1 1 A 80 80 LEU N N 107 123.530 121.420 2.110 1 1 1010 . 4 1 1 A 81 81 PHE H H 108 8.050 8.529 -0.479 1 1 1011 . 4 1 1 A 81 81 PHE HA H 108 4.350 3.895 0.455 1 1 1019 . 4 1 1 A 81 81 PHE C C 108 179.570 177.854 1.716 1 1 1020 . 4 1 1 A 81 81 PHE CA C 108 61.070 60.663 0.407 1 1 1021 . 4 1 1 A 81 81 PHE CB C 108 37.010 37.733 -0.723 1 1 1027 . 4 1 1 A 81 81 PHE N N 108 116.720 117.613 -0.893 1 1 1028 . 4 1 1 A 82 82 SER H H 109 8.410 8.127 0.283 1 1 1029 . 4 1 1 A 82 82 SER HA H 109 4.360 4.273 0.087 1 1 1032 . 4 1 1 A 82 82 SER C C 109 176.200 177.404 -1.204 1 1 1033 . 4 1 1 A 82 82 SER CA C 109 61.830 61.364 0.466 1 1 1034 . 4 1 1 A 82 82 SER CB C 109 62.570 63.167 -0.597 1 1 1035 . 4 1 1 A 82 82 SER N N 109 118.120 115.612 2.508 1 1 1036 . 4 1 1 A 83 83 MET H H 110 8.420 8.226 0.194 1 1 1037 . 4 1 1 A 83 83 MET HA H 110 4.210 4.205 0.005 1 1 1043 . 4 1 1 A 83 83 MET C C 110 178.260 178.785 -0.525 1 1 1044 . 4 1 1 A 83 83 MET CA C 110 59.170 58.872 0.298 1 1 1045 . 4 1 1 A 83 83 MET CB C 110 31.240 32.697 -1.457 1 1 1047 . 4 1 1 A 83 83 MET N N 110 123.040 119.708 3.332 1 1 1048 . 4 1 1 A 84 84 LEU H H 111 8.080 8.197 -0.117 1 1 1049 . 4 1 1 A 84 84 LEU HA H 111 4.140 4.092 0.048 1 1 1059 . 4 1 1 A 84 84 LEU C C 111 178.030 178.886 -0.856 1 1 1060 . 4 1 1 A 84 84 LEU CA C 111 57.390 58.252 -0.862 1 1 1061 . 4 1 1 A 84 84 LEU CB C 111 41.430 41.810 -0.380 1 1 1065 . 4 1 1 A 84 84 LEU N N 111 117.910 119.873 -1.963 1 1 1066 . 4 1 1 A 85 85 LYS H H 112 7.640 7.602 0.038 1 1 1067 . 4 1 1 A 85 85 LYS HA H 112 4.110 4.207 -0.097 1 1 1076 . 4 1 1 A 85 85 LYS C C 112 177.650 177.507 0.143 1 1 1077 . 4 1 1 A 85 85 LYS CA C 112 58.750 59.051 -0.301 1 1 1078 . 4 1 1 A 85 85 LYS CB C 112 32.240 32.367 -0.127 1 1 1082 . 4 1 1 A 85 85 LYS N N 112 119.340 117.824 1.516 1 1 1083 . 4 1 1 A 86 86 ASP H H 113 7.350 7.609 -0.259 1 1 1084 . 4 1 1 A 86 86 ASP HA H 113 4.570 4.723 -0.153 1 1 1087 . 4 1 1 A 86 86 ASP C C 113 176.950 176.508 0.442 1 1 1088 . 4 1 1 A 86 86 ASP CA C 113 55.770 54.156 1.614 1 1 1089 . 4 1 1 A 86 86 ASP CB C 113 42.420 41.452 0.968 1 1 1090 . 4 1 1 A 86 86 ASP N N 113 117.210 117.545 -0.335 1 1 1091 . 4 1 1 A 87 87 GLY H H 114 7.760 7.844 -0.084 1 1 1092 . 4 1 1 A 87 87 GLY HA2 H 114 4.380 4.076 0.304 1 1 1093 . 4 1 1 A 87 87 GLY HA3 H 114 4.380 4.090 0.290 1 1 1094 . 4 1 1 A 87 87 GLY C C 114 173.000 174.027 -1.027 1 1 1095 . 4 1 1 A 87 87 GLY CA C 114 44.490 45.336 -0.846 1 1 1096 . 4 1 1 A 87 87 GLY N N 114 107.740 106.843 0.897 1 1 1097 . 4 1 1 A 88 88 VAL H H 115 9.350 9.144 0.206 1 1 1098 . 4 1 1 A 88 88 VAL HA H 115 4.960 4.875 0.085 1 1 1106 . 4 1 1 A 88 88 VAL C C 115 173.100 174.188 -1.088 1 1 1107 . 4 1 1 A 88 88 VAL CA C 115 58.650 62.188 -3.538 1 1 1108 . 4 1 1 A 88 88 VAL CB C 115 35.910 33.684 2.226 1 1 1111 . 4 1 1 A 88 88 VAL N N 115 118.050 124.726 -6.676 1 1 1112 . 4 1 1 A 89 89 VAL H H 116 9.000 9.679 -0.679 1 1 1113 . 4 1 1 A 89 89 VAL HA H 116 4.550 4.805 -0.255 1 1 1121 . 4 1 1 A 89 89 VAL C C 116 174.640 174.859 -0.219 1 1 1122 . 4 1 1 A 89 89 VAL CA C 116 61.360 60.188 1.172 1 1 1123 . 4 1 1 A 89 89 VAL CB C 116 33.760 33.805 -0.045 1 1 1126 . 4 1 1 A 89 89 VAL N N 116 121.030 128.423 -7.393 1 1 1127 . 4 1 1 A 90 90 LEU H H 117 8.950 8.713 0.237 1 1 1128 . 4 1 1 A 90 90 LEU HA H 117 5.160 5.446 -0.286 1 1 1138 . 4 1 1 A 90 90 LEU C C 117 176.150 176.742 -0.592 1 1 1139 . 4 1 1 A 90 90 LEU CA C 117 52.230 54.624 -2.394 1 1 1140 . 4 1 1 A 90 90 LEU CB C 117 44.280 41.333 2.947 1 1 1144 . 4 1 1 A 90 90 LEU N N 117 125.420 129.406 -3.986 1 1 1145 . 4 1 1 A 91 91 LYS H H 118 8.280 8.361 -0.081 1 1 1146 . 4 1 1 A 91 91 LYS HA H 118 4.900 4.594 0.306 1 1 1155 . 4 1 1 A 91 91 LYS C C 118 175.300 175.300 0.000 1 1 1156 . 4 1 1 A 91 91 LYS CA C 118 53.810 55.631 -1.821 1 1 1157 . 4 1 1 A 91 91 LYS CB C 118 36.840 36.383 0.457 1 1 1161 . 4 1 1 A 91 91 LYS N N 118 119.720 121.941 -2.221 1 1 1162 . 4 1 1 A 92 92 GLY H H 119 9.030 8.295 0.735 1 1 1163 . 4 1 1 A 92 92 GLY HA2 H 119 3.750 4.230 -0.480 1 1 1164 . 4 1 1 A 92 92 GLY HA3 H 119 3.750 4.239 -0.489 1 1 1165 . 4 1 1 A 92 92 GLY CA C 119 43.980 46.157 -2.177 1 1 1166 . 4 1 1 A 92 92 GLY N N 119 109.730 108.689 1.041 1 1 1167 . 4 1 1 A 94 94 LYS HA H 121 4.760 4.068 0.692 1 1 1168 . 4 1 1 A 95 95 ILE H H 122 7.700 8.266 -0.566 1 1 1169 . 4 1 1 A 95 95 ILE HA H 122 4.160 4.944 -0.784 1 1 1179 . 4 1 1 A 95 95 ILE CA C 122 61.270 58.964 2.306 1 1 1180 . 4 1 1 A 95 95 ILE CB C 122 37.590 41.055 -3.465 1 1 1184 . 4 1 1 A 95 95 ILE N N 122 117.400 120.050 -2.650 1 1 1185 . 4 1 1 A 98 98 THR HA H 125 5.810 4.863 0.947 1 1 1190 . 4 1 1 A 98 98 THR CA C 125 61.740 61.126 0.614 1 1 1191 . 4 1 1 A 98 98 THR CB C 125 73.450 72.569 0.881 1 1 1193 . 4 1 1 A 99 99 ILE HA H 126 4.630 4.785 -0.155 1 1 1203 . 4 1 1 A 99 99 ILE C C 126 174.430 174.823 -0.393 1 1 1204 . 4 1 1 A 99 99 ILE CA C 126 59.980 59.634 0.346 1 1 1205 . 4 1 1 A 99 99 ILE CB C 126 40.970 40.315 0.655 1 1 1209 . 4 1 1 A 100 100 LEU H H 127 9.530 8.782 0.748 1 1 1210 . 4 1 1 A 100 100 LEU HA H 127 4.420 5.046 -0.626 1 1 1220 . 4 1 1 A 100 100 LEU C C 127 174.930 175.536 -0.606 1 1 1221 . 4 1 1 A 100 100 LEU CA C 127 54.030 53.441 0.589 1 1 1222 . 4 1 1 A 100 100 LEU CB C 127 42.520 44.737 -2.217 1 1 1226 . 4 1 1 A 100 100 LEU N N 127 127.300 125.914 1.386 1 1 1227 . 4 1 1 A 101 101 ILE H H 128 8.260 9.333 -1.073 1 1 1228 . 4 1 1 A 101 101 ILE HA H 128 4.320 4.656 -0.336 1 1 1238 . 4 1 1 A 101 101 ILE C C 128 173.880 174.411 -0.531 1 1 1239 . 4 1 1 A 101 101 ILE CA C 128 60.900 60.295 0.605 1 1 1240 . 4 1 1 A 101 101 ILE CB C 128 37.410 38.842 -1.432 1 1 1244 . 4 1 1 A 101 101 ILE N N 128 119.990 123.230 -3.240 1 1 1245 . 4 1 1 A 102 102 GLU H H 129 9.580 8.986 0.594 1 1 1246 . 4 1 1 A 102 102 GLU HA H 129 5.120 5.366 -0.246 1 1 1251 . 4 1 1 A 102 102 GLU C C 129 174.240 174.909 -0.669 1 1 1252 . 4 1 1 A 102 102 GLU CA C 129 54.050 54.882 -0.832 1 1 1253 . 4 1 1 A 102 102 GLU CB C 129 33.630 33.314 0.316 1 1 1255 . 4 1 1 A 102 102 GLU N N 129 129.780 130.181 -0.401 1 1 1256 . 4 1 1 A 103 103 LYS H H 130 8.680 8.511 0.169 1 1 1257 . 4 1 1 A 103 103 LYS HA H 130 4.720 4.802 -0.082 1 1 1264 . 4 1 1 A 103 103 LYS C C 130 175.280 174.775 0.505 1 1 1265 . 4 1 1 A 103 103 LYS CA C 130 55.190 55.352 -0.162 1 1 1266 . 4 1 1 A 103 103 LYS CB C 130 36.750 35.571 1.179 1 1 1270 . 4 1 1 A 103 103 LYS N N 130 123.420 123.774 -0.354 1 1 1271 . 4 1 1 A 104 104 ASP H H 131 9.530 9.346 0.184 1 1 1272 . 4 1 1 A 104 104 ASP HA H 131 4.290 4.360 -0.070 1 1 1275 . 4 1 1 A 104 104 ASP C C 131 176.090 176.236 -0.146 1 1 1276 . 4 1 1 A 104 104 ASP CA C 131 55.370 55.347 0.023 1 1 1277 . 4 1 1 A 104 104 ASP CB C 131 39.260 39.218 0.042 1 1 1278 . 4 1 1 A 104 104 ASP N N 131 127.440 120.511 6.929 1 1 1279 . 4 1 1 A 105 105 GLY H H 132 8.970 8.205 0.765 1 1 1280 . 4 1 1 A 105 105 GLY HA2 H 132 4.090 3.856 0.234 1 1 1281 . 4 1 1 A 105 105 GLY HA3 H 132 3.550 3.856 -0.306 1 1 1282 . 4 1 1 A 105 105 GLY C C 132 173.130 173.618 -0.488 1 1 1283 . 4 1 1 A 105 105 GLY CA C 132 45.230 45.353 -0.123 1 1 1284 . 4 1 1 A 105 105 GLY N N 132 103.820 105.256 -1.436 1 1 1285 . 4 1 1 A 106 106 GLU H H 133 7.720 7.758 -0.038 1 1 1286 . 4 1 1 A 106 106 GLU HA H 133 4.720 4.950 -0.230 1 1 1291 . 4 1 1 A 106 106 GLU C C 133 174.940 175.006 -0.066 1 1 1292 . 4 1 1 A 106 106 GLU CA C 133 53.770 54.651 -0.881 1 1 1293 . 4 1 1 A 106 106 GLU CB C 133 32.820 32.811 0.009 1 1 1295 . 4 1 1 A 106 106 GLU N N 133 120.200 116.474 3.726 1 1 1296 . 4 1 1 A 107 107 VAL H H 134 8.900 8.686 0.214 1 1 1297 . 4 1 1 A 107 107 VAL HA H 134 3.760 4.412 -0.652 1 1 1305 . 4 1 1 A 107 107 VAL C C 134 175.340 176.229 -0.889 1 1 1306 . 4 1 1 A 107 107 VAL CA C 134 64.230 61.341 2.889 1 1 1307 . 4 1 1 A 107 107 VAL CB C 134 31.160 32.551 -1.391 1 1 1310 . 4 1 1 A 107 107 VAL N N 134 125.990 122.643 3.347 1 1 1311 . 4 1 1 A 108 108 LYS H H 135 9.250 8.526 0.724 1 1 1312 . 4 1 1 A 108 108 LYS HA H 135 4.810 4.533 0.277 1 1 1321 . 4 1 1 A 108 108 LYS C C 135 174.390 175.638 -1.248 1 1 1322 . 4 1 1 A 108 108 LYS CA C 135 54.740 55.791 -1.051 1 1 1323 . 4 1 1 A 108 108 LYS CB C 135 34.690 33.725 0.965 1 1 1327 . 4 1 1 A 108 108 LYS N N 135 126.060 124.359 1.701 1 1 1328 . 4 1 1 A 109 109 LEU H H 136 7.690 7.092 0.598 1 1 1329 . 4 1 1 A 109 109 LEU HA H 136 4.820 5.281 -0.461 1 1 1339 . 4 1 1 A 109 109 LEU C C 136 172.450 174.440 -1.990 1 1 1340 . 4 1 1 A 109 109 LEU CA C 136 53.250 53.739 -0.489 1 1 1341 . 4 1 1 A 109 109 LEU CB C 136 47.800 45.733 2.067 1 1 1345 . 4 1 1 A 109 109 LEU N N 136 116.670 120.119 -3.449 1 1 1346 . 4 1 1 A 110 110 LYS H H 137 9.170 8.922 0.248 1 1 1347 . 4 1 1 A 110 110 LYS HA H 137 5.050 4.939 0.111 1 1 1356 . 4 1 1 A 110 110 LYS C C 137 172.760 174.720 -1.960 1 1 1357 . 4 1 1 A 110 110 LYS CA C 137 54.090 54.618 -0.528 1 1 1358 . 4 1 1 A 110 110 LYS CB C 137 36.560 37.052 -0.492 1 1 1362 . 4 1 1 A 110 110 LYS N N 137 117.050 122.712 -5.662 1 1 1363 . 4 1 1 A 111 111 LEU H H 138 9.400 9.248 0.152 1 1 1364 . 4 1 1 A 111 111 LEU HA H 138 5.250 4.861 0.389 1 1 1374 . 4 1 1 A 111 111 LEU C C 138 176.470 176.694 -0.224 1 1 1375 . 4 1 1 A 111 111 LEU CA C 138 52.230 53.785 -1.555 1 1 1376 . 4 1 1 A 111 111 LEU CB C 138 42.810 41.626 1.184 1 1 1380 . 4 1 1 A 111 111 LEU N N 138 121.800 121.490 0.310 1 1 1381 . 4 1 1 A 112 112 ILE H H 139 9.080 8.801 0.279 1 1 1382 . 4 1 1 A 112 112 ILE HA H 139 5.420 4.408 1.012 1 1 1392 . 4 1 1 A 112 112 ILE C C 139 175.710 174.625 1.085 1 1 1393 . 4 1 1 A 112 112 ILE CA C 139 59.170 62.888 -3.718 1 1 1394 . 4 1 1 A 112 112 ILE CB C 139 41.010 37.153 3.857 1 1 1398 . 4 1 1 A 112 112 ILE N N 139 120.350 120.062 0.288 1 1 1399 . 4 1 1 A 113 113 ARG H H 140 8.550 8.685 -0.135 1 1 1400 . 4 1 1 A 113 113 ARG HA H 140 3.940 4.402 -0.462 1 1 1403 . 4 1 1 A 113 113 ARG C C 140 176.030 176.269 -0.239 1 1 1404 . 4 1 1 A 113 113 ARG CA C 140 56.180 55.118 1.062 1 1 1405 . 4 1 1 A 113 113 ARG CB C 140 30.770 28.360 2.410 1 1 1408 . 4 1 1 A 113 113 ARG N N 140 127.710 126.200 1.510 1 1 1409 . 4 1 1 A 114 114 GLY H H 141 8.530 8.470 0.060 1 1 1410 . 4 1 1 A 114 114 GLY HA2 H 141 4.000 3.855 0.145 1 1 1411 . 4 1 1 A 114 114 GLY HA3 H 141 3.820 3.872 -0.052 1 1 1412 . 4 1 1 A 114 114 GLY C C 141 172.650 175.684 -3.034 1 1 1413 . 4 1 1 A 114 114 GLY CA C 141 45.100 46.392 -1.292 1 1 1414 . 4 1 1 A 114 114 GLY N N 141 111.410 111.969 -0.559 1 1 1 . 5 1 1 A 2 2 SER HA H 29 4.540 4.365 0.175 1 1 4 . 5 1 1 A 2 2 SER C C 29 174.370 174.983 -0.613 1 1 5 . 5 1 1 A 2 2 SER CA C 29 58.380 59.994 -1.614 1 1 6 . 5 1 1 A 2 2 SER CB C 29 63.670 63.286 0.384 1 1 7 . 5 1 1 A 3 3 SER H H 30 8.530 7.567 0.963 1 1 8 . 5 1 1 A 3 3 SER HA H 30 4.480 4.660 -0.180 1 1 11 . 5 1 1 A 3 3 SER C C 30 174.610 173.815 0.795 1 1 12 . 5 1 1 A 3 3 SER CA C 30 58.380 59.131 -0.751 1 1 13 . 5 1 1 A 3 3 SER CB C 30 63.690 63.592 0.098 1 1 14 . 5 1 1 A 3 3 SER N N 30 117.760 117.866 -0.106 1 1 15 . 5 1 1 A 4 4 ASN H H 31 8.600 8.915 -0.315 1 1 16 . 5 1 1 A 4 4 ASN HA H 31 4.710 4.883 -0.173 1 1 21 . 5 1 1 A 4 4 ASN C C 31 175.840 174.715 1.125 1 1 22 . 5 1 1 A 4 4 ASN CA C 31 53.880 54.762 -0.882 1 1 23 . 5 1 1 A 4 4 ASN CB C 31 38.520 39.815 -1.295 1 1 24 . 5 1 1 A 4 4 ASN N N 31 120.910 122.907 -1.997 1 1 26 . 5 1 1 A 5 5 SER H H 32 8.360 8.258 0.102 1 1 27 . 5 1 1 A 5 5 SER HA H 32 4.420 4.403 0.017 1 1 30 . 5 1 1 A 5 5 SER C C 32 174.700 174.561 0.139 1 1 31 . 5 1 1 A 5 5 SER CA C 32 59.310 59.772 -0.462 1 1 32 . 5 1 1 A 5 5 SER CB C 32 63.410 63.020 0.390 1 1 33 . 5 1 1 A 5 5 SER N N 32 115.920 114.477 1.443 1 1 34 . 5 1 1 A 6 6 GLU H H 33 8.370 8.997 -0.627 1 1 35 . 5 1 1 A 6 6 GLU HA H 33 4.530 3.921 0.609 1 1 40 . 5 1 1 A 6 6 GLU C C 33 176.390 175.612 0.778 1 1 41 . 5 1 1 A 6 6 GLU CA C 33 56.510 57.912 -1.402 1 1 42 . 5 1 1 A 6 6 GLU CB C 33 29.850 28.368 1.482 1 1 44 . 5 1 1 A 6 6 GLU N N 33 121.670 120.093 1.577 1 1 45 . 5 1 1 A 7 7 LYS H H 34 8.120 7.949 0.171 1 1 46 . 5 1 1 A 7 7 LYS HA H 34 4.370 3.979 0.391 1 1 55 . 5 1 1 A 7 7 LYS C C 34 176.060 175.309 0.751 1 1 56 . 5 1 1 A 7 7 LYS CA C 34 56.140 55.765 0.375 1 1 57 . 5 1 1 A 7 7 LYS CB C 34 33.200 32.081 1.119 1 1 61 . 5 1 1 A 7 7 LYS N N 34 121.020 119.495 1.525 1 1 62 . 5 1 1 A 8 8 GLU H H 35 8.550 8.457 0.093 1 1 63 . 5 1 1 A 8 8 GLU HA H 35 4.830 4.488 0.342 1 1 68 . 5 1 1 A 8 8 GLU C C 35 175.050 174.879 0.171 1 1 69 . 5 1 1 A 8 8 GLU CA C 35 56.390 55.995 0.395 1 1 70 . 5 1 1 A 8 8 GLU CB C 35 31.340 29.662 1.678 1 1 72 . 5 1 1 A 8 8 GLU N N 35 122.450 124.052 -1.602 1 1 73 . 5 1 1 A 9 9 TRP H H 36 9.680 8.970 0.710 1 1 74 . 5 1 1 A 9 9 TRP HA H 36 4.860 5.192 -0.332 1 1 80 . 5 1 1 A 9 9 TRP C C 36 175.390 175.753 -0.363 1 1 81 . 5 1 1 A 9 9 TRP CA C 36 55.890 56.219 -0.329 1 1 82 . 5 1 1 A 9 9 TRP CB C 36 30.810 30.432 0.378 1 1 85 . 5 1 1 A 9 9 TRP N N 36 122.800 126.893 -4.093 1 1 87 . 5 1 1 A 10 10 HIS H H 37 9.690 9.162 0.528 1 1 88 . 5 1 1 A 10 10 HIS HA H 37 4.990 4.961 0.029 1 1 93 . 5 1 1 A 10 10 HIS C C 37 174.840 174.726 0.114 1 1 94 . 5 1 1 A 10 10 HIS CA C 37 54.720 56.014 -1.294 1 1 95 . 5 1 1 A 10 10 HIS CB C 37 29.840 29.902 -0.062 1 1 98 . 5 1 1 A 10 10 HIS N N 37 120.400 123.162 -2.762 1 1 99 . 5 1 1 A 11 11 ILE H H 38 7.740 8.276 -0.536 1 1 100 . 5 1 1 A 11 11 ILE HA H 38 4.360 4.654 -0.294 1 1 110 . 5 1 1 A 11 11 ILE C C 38 175.030 175.616 -0.586 1 1 111 . 5 1 1 A 11 11 ILE CA C 38 62.110 62.220 -0.110 1 1 112 . 5 1 1 A 11 11 ILE CB C 38 37.590 37.817 -0.227 1 1 116 . 5 1 1 A 11 11 ILE N N 38 121.700 125.281 -3.581 1 1 117 . 5 1 1 A 12 12 VAL H H 39 9.370 8.945 0.425 1 1 118 . 5 1 1 A 12 12 VAL HA H 39 4.690 4.457 0.233 1 1 126 . 5 1 1 A 12 12 VAL CA C 39 58.500 58.586 -0.086 1 1 127 . 5 1 1 A 12 12 VAL CB C 39 34.970 34.500 0.470 1 1 130 . 5 1 1 A 12 12 VAL N N 39 130.310 127.771 2.539 1 1 131 . 5 1 1 A 13 13 PRO HA H 40 4.470 4.832 -0.362 1 1 138 . 5 1 1 A 13 13 PRO C C 40 175.070 175.960 -0.890 1 1 139 . 5 1 1 A 13 13 PRO CA C 40 63.130 62.216 0.914 1 1 140 . 5 1 1 A 13 13 PRO CB C 40 33.580 32.163 1.417 1 1 143 . 5 1 1 A 14 14 VAL H H 41 7.970 8.983 -1.013 1 1 144 . 5 1 1 A 14 14 VAL HA H 41 4.170 4.108 0.062 1 1 152 . 5 1 1 A 14 14 VAL C C 41 175.360 176.292 -0.932 1 1 153 . 5 1 1 A 14 14 VAL CA C 41 63.600 63.418 0.182 1 1 154 . 5 1 1 A 14 14 VAL CB C 41 34.050 32.623 1.427 1 1 157 . 5 1 1 A 14 14 VAL N N 41 119.000 118.233 0.767 1 1 158 . 5 1 1 A 15 15 SER H H 42 8.040 8.049 -0.009 1 1 159 . 5 1 1 A 15 15 SER HA H 42 4.530 4.734 -0.204 1 1 162 . 5 1 1 A 15 15 SER C C 42 176.240 175.819 0.421 1 1 163 . 5 1 1 A 15 15 SER CA C 42 57.620 58.161 -0.541 1 1 164 . 5 1 1 A 15 15 SER CB C 42 64.250 64.432 -0.182 1 1 165 . 5 1 1 A 15 15 SER N N 42 113.900 116.628 -2.728 1 1 166 . 5 1 1 A 16 16 LYS H H 43 8.690 8.931 -0.241 1 1 167 . 5 1 1 A 16 16 LYS HA H 43 2.830 3.702 -0.872 1 1 176 . 5 1 1 A 16 16 LYS C C 43 177.790 177.974 -0.184 1 1 177 . 5 1 1 A 16 16 LYS CA C 43 58.100 58.792 -0.692 1 1 178 . 5 1 1 A 16 16 LYS CB C 43 31.840 31.776 0.064 1 1 182 . 5 1 1 A 16 16 LYS N N 43 124.940 124.038 0.902 1 1 183 . 5 1 1 A 17 17 ASP H H 44 8.590 8.086 0.504 1 1 184 . 5 1 1 A 17 17 ASP HA H 44 4.100 4.354 -0.254 1 1 187 . 5 1 1 A 17 17 ASP C C 44 176.670 176.822 -0.152 1 1 188 . 5 1 1 A 17 17 ASP CA C 44 55.580 56.461 -0.881 1 1 189 . 5 1 1 A 17 17 ASP CB C 44 39.300 40.809 -1.509 1 1 190 . 5 1 1 A 17 17 ASP N N 44 118.140 119.427 -1.287 1 1 191 . 5 1 1 A 18 18 TYR H H 45 7.870 8.284 -0.414 1 1 192 . 5 1 1 A 18 18 TYR HA H 45 4.550 4.772 -0.222 1 1 199 . 5 1 1 A 18 18 TYR C C 45 174.860 176.746 -1.886 1 1 200 . 5 1 1 A 18 18 TYR CA C 45 58.510 57.935 0.575 1 1 201 . 5 1 1 A 18 18 TYR CB C 45 39.470 38.670 0.800 1 1 206 . 5 1 1 A 18 18 TYR N N 45 115.260 117.585 -2.325 1 1 207 . 5 1 1 A 19 19 PHE H H 46 7.430 8.012 -0.582 1 1 208 . 5 1 1 A 19 19 PHE HA H 46 4.360 4.467 -0.107 1 1 215 . 5 1 1 A 19 19 PHE C C 46 176.950 176.779 0.171 1 1 216 . 5 1 1 A 19 19 PHE CA C 46 59.340 60.909 -1.569 1 1 217 . 5 1 1 A 19 19 PHE CB C 46 37.870 38.136 -0.266 1 1 222 . 5 1 1 A 19 19 PHE N N 46 120.020 121.201 -1.181 1 1 223 . 5 1 1 A 20 20 SER H H 47 8.620 7.792 0.828 1 1 224 . 5 1 1 A 20 20 SER HA H 47 4.430 4.696 -0.266 1 1 227 . 5 1 1 A 20 20 SER C C 47 173.980 174.674 -0.694 1 1 228 . 5 1 1 A 20 20 SER CA C 47 58.660 58.188 0.472 1 1 229 . 5 1 1 A 20 20 SER CB C 47 62.850 63.959 -1.109 1 1 230 . 5 1 1 A 20 20 SER N N 47 111.500 111.245 0.255 1 1 231 . 5 1 1 A 21 21 ILE H H 48 7.660 7.551 0.109 1 1 232 . 5 1 1 A 21 21 ILE HA H 48 4.110 4.199 -0.089 1 1 242 . 5 1 1 A 21 21 ILE CA C 48 59.780 60.636 -0.856 1 1 243 . 5 1 1 A 21 21 ILE CB C 48 38.330 38.057 0.273 1 1 247 . 5 1 1 A 21 21 ILE N N 48 119.380 124.189 -4.809 1 1 248 . 5 1 1 A 22 22 PRO HA H 49 4.500 4.525 -0.025 1 1 255 . 5 1 1 A 22 22 PRO C C 49 176.110 177.583 -1.473 1 1 256 . 5 1 1 A 22 22 PRO CA C 49 62.880 62.695 0.185 1 1 257 . 5 1 1 A 22 22 PRO CB C 49 32.570 33.170 -0.600 1 1 260 . 5 1 1 A 23 23 ASN H H 50 8.630 8.860 -0.230 1 1 261 . 5 1 1 A 23 23 ASN HA H 50 4.800 4.521 0.279 1 1 266 . 5 1 1 A 23 23 ASN C C 50 176.580 174.984 1.596 1 1 267 . 5 1 1 A 23 23 ASN CA C 50 53.610 56.167 -2.557 1 1 268 . 5 1 1 A 23 23 ASN CB C 50 38.490 38.758 -0.268 1 1 269 . 5 1 1 A 23 23 ASN N N 50 117.590 119.118 -1.528 1 1 271 . 5 1 1 A 24 24 ASP H H 51 8.580 7.849 0.731 1 1 272 . 5 1 1 A 24 24 ASP HA H 51 4.760 4.988 -0.228 1 1 275 . 5 1 1 A 24 24 ASP C C 51 175.090 174.033 1.057 1 1 276 . 5 1 1 A 24 24 ASP CA C 51 52.500 54.194 -1.694 1 1 277 . 5 1 1 A 24 24 ASP CB C 51 39.840 42.955 -3.115 1 1 278 . 5 1 1 A 24 24 ASP N N 51 120.490 117.776 2.714 1 1 279 . 5 1 1 A 25 25 LEU H H 52 8.400 9.086 -0.686 1 1 280 . 5 1 1 A 25 25 LEU HA H 52 4.390 4.984 -0.594 1 1 290 . 5 1 1 A 25 25 LEU C C 52 176.340 175.804 0.536 1 1 291 . 5 1 1 A 25 25 LEU CA C 52 55.460 53.493 1.967 1 1 292 . 5 1 1 A 25 25 LEU CB C 52 43.270 44.360 -1.090 1 1 296 . 5 1 1 A 25 25 LEU N N 52 119.530 127.296 -7.766 1 1 297 . 5 1 1 A 26 26 LEU H H 53 8.840 9.534 -0.694 1 1 298 . 5 1 1 A 26 26 LEU HA H 53 5.140 4.777 0.363 1 1 308 . 5 1 1 A 26 26 LEU C C 53 174.620 175.001 -0.381 1 1 309 . 5 1 1 A 26 26 LEU CA C 53 52.840 53.061 -0.221 1 1 310 . 5 1 1 A 26 26 LEU CB C 53 44.070 42.752 1.318 1 1 314 . 5 1 1 A 26 26 LEU N N 53 126.610 122.678 3.932 1 1 315 . 5 1 1 A 27 27 TRP H H 54 9.230 9.493 -0.263 1 1 316 . 5 1 1 A 27 27 TRP HA H 54 5.570 5.157 0.413 1 1 325 . 5 1 1 A 27 27 TRP C C 54 175.740 175.011 0.729 1 1 326 . 5 1 1 A 27 27 TRP CA C 54 54.510 55.584 -1.074 1 1 327 . 5 1 1 A 27 27 TRP CB C 54 31.710 32.693 -0.983 1 1 333 . 5 1 1 A 27 27 TRP N N 54 122.650 128.213 -5.563 1 1 335 . 5 1 1 A 28 28 SER H H 55 9.240 9.057 0.183 1 1 336 . 5 1 1 A 28 28 SER HA H 55 5.490 5.602 -0.112 1 1 339 . 5 1 1 A 28 28 SER C C 55 173.440 173.777 -0.337 1 1 340 . 5 1 1 A 28 28 SER CA C 55 56.990 57.654 -0.664 1 1 341 . 5 1 1 A 28 28 SER CB C 55 66.150 65.538 0.612 1 1 342 . 5 1 1 A 28 28 SER N N 55 121.970 124.211 -2.241 1 1 343 . 5 1 1 A 29 29 PHE H H 56 9.590 9.630 -0.040 1 1 344 . 5 1 1 A 29 29 PHE HA H 56 5.150 4.902 0.248 1 1 352 . 5 1 1 A 29 29 PHE C C 56 175.810 175.472 0.338 1 1 353 . 5 1 1 A 29 29 PHE CA C 56 57.180 59.302 -2.122 1 1 354 . 5 1 1 A 29 29 PHE CB C 56 42.370 39.391 2.979 1 1 360 . 5 1 1 A 29 29 PHE N N 56 121.420 127.034 -5.614 1 1 361 . 5 1 1 A 30 30 ASN H H 57 9.400 9.249 0.151 1 1 362 . 5 1 1 A 30 30 ASN HA H 57 5.220 4.988 0.232 1 1 367 . 5 1 1 A 30 30 ASN C C 57 176.540 176.289 0.251 1 1 368 . 5 1 1 A 30 30 ASN CA C 57 52.320 51.806 0.514 1 1 369 . 5 1 1 A 30 30 ASN CB C 57 38.520 38.171 0.349 1 1 370 . 5 1 1 A 30 30 ASN N N 57 120.660 123.629 -2.969 1 1 372 . 5 1 1 A 31 31 THR H H 58 9.180 8.712 0.468 1 1 373 . 5 1 1 A 31 31 THR HA H 58 4.800 4.775 0.025 1 1 378 . 5 1 1 A 31 31 THR C C 58 176.950 175.927 1.023 1 1 379 . 5 1 1 A 31 31 THR CA C 58 63.430 63.206 0.224 1 1 380 . 5 1 1 A 31 31 THR CB C 58 68.110 69.213 -1.103 1 1 382 . 5 1 1 A 31 31 THR N N 58 114.630 118.086 -3.456 1 1 383 . 5 1 1 A 32 32 THR H H 59 8.450 7.903 0.547 1 1 384 . 5 1 1 A 32 32 THR HA H 59 4.130 4.281 -0.151 1 1 389 . 5 1 1 A 32 32 THR C C 59 175.130 176.174 -1.044 1 1 390 . 5 1 1 A 32 32 THR CA C 59 65.550 65.082 0.468 1 1 391 . 5 1 1 A 32 32 THR CB C 59 68.200 69.443 -1.243 1 1 393 . 5 1 1 A 32 32 THR N N 59 120.020 116.459 3.561 1 1 394 . 5 1 1 A 33 33 ASN H H 60 7.500 7.491 0.009 1 1 395 . 5 1 1 A 33 33 ASN HA H 60 4.690 4.848 -0.158 1 1 400 . 5 1 1 A 33 33 ASN C C 60 174.230 175.018 -0.788 1 1 401 . 5 1 1 A 33 33 ASN CA C 60 51.650 51.800 -0.150 1 1 402 . 5 1 1 A 33 33 ASN CB C 60 37.870 38.341 -0.471 1 1 403 . 5 1 1 A 33 33 ASN N N 60 117.490 113.934 3.556 1 1 405 . 5 1 1 A 34 34 LYS H H 61 7.580 7.946 -0.366 1 1 406 . 5 1 1 A 34 34 LYS HA H 61 3.500 4.322 -0.822 1 1 415 . 5 1 1 A 34 34 LYS C C 61 172.880 174.766 -1.886 1 1 416 . 5 1 1 A 34 34 LYS CA C 61 57.160 56.989 0.171 1 1 417 . 5 1 1 A 34 34 LYS CB C 61 28.540 30.224 -1.684 1 1 421 . 5 1 1 A 34 34 LYS N N 61 118.030 115.284 2.746 1 1 422 . 5 1 1 A 35 35 SER H H 62 8.560 8.937 -0.377 1 1 423 . 5 1 1 A 35 35 SER HA H 62 5.670 5.421 0.249 1 1 426 . 5 1 1 A 35 35 SER C C 62 173.510 172.956 0.554 1 1 427 . 5 1 1 A 35 35 SER CA C 62 56.110 56.800 -0.690 1 1 428 . 5 1 1 A 35 35 SER CB C 62 67.800 65.888 1.912 1 1 429 . 5 1 1 A 35 35 SER N N 62 109.720 113.618 -3.898 1 1 430 . 5 1 1 A 36 36 ILE H H 63 8.750 9.157 -0.407 1 1 431 . 5 1 1 A 36 36 ILE HA H 63 4.940 4.834 0.106 1 1 441 . 5 1 1 A 36 36 ILE C C 63 174.660 174.549 0.111 1 1 442 . 5 1 1 A 36 36 ILE CA C 63 58.180 60.498 -2.318 1 1 443 . 5 1 1 A 36 36 ILE CB C 63 40.660 38.773 1.887 1 1 447 . 5 1 1 A 36 36 ILE N N 63 117.490 123.906 -6.416 1 1 448 . 5 1 1 A 37 37 ASN H H 64 8.400 9.020 -0.620 1 1 449 . 5 1 1 A 37 37 ASN HA H 64 5.650 6.176 -0.526 1 1 454 . 5 1 1 A 37 37 ASN C C 64 173.490 174.115 -0.625 1 1 455 . 5 1 1 A 37 37 ASN CA C 64 51.670 52.475 -0.805 1 1 456 . 5 1 1 A 37 37 ASN CB C 64 41.900 39.102 2.798 1 1 457 . 5 1 1 A 37 37 ASN N N 64 122.180 126.147 -3.967 1 1 459 . 5 1 1 A 38 38 VAL H H 65 8.900 8.681 0.219 1 1 460 . 5 1 1 A 38 38 VAL HA H 65 5.540 4.697 0.843 1 1 468 . 5 1 1 A 38 38 VAL C C 65 174.590 175.081 -0.491 1 1 469 . 5 1 1 A 38 38 VAL CA C 65 60.060 61.108 -1.048 1 1 470 . 5 1 1 A 38 38 VAL CB C 65 34.870 32.755 2.115 1 1 473 . 5 1 1 A 38 38 VAL N N 65 122.060 125.427 -3.367 1 1 474 . 5 1 1 A 39 39 TYR H H 66 8.910 9.060 -0.150 1 1 475 . 5 1 1 A 39 39 TYR HA H 66 5.490 5.651 -0.161 1 1 482 . 5 1 1 A 39 39 TYR C C 66 172.810 173.421 -0.611 1 1 483 . 5 1 1 A 39 39 TYR CA C 66 56.220 55.508 0.712 1 1 484 . 5 1 1 A 39 39 TYR CB C 66 40.620 42.177 -1.557 1 1 489 . 5 1 1 A 39 39 TYR N N 66 123.530 124.346 -0.816 1 1 490 . 5 1 1 A 40 40 SER H H 67 8.970 9.269 -0.299 1 1 491 . 5 1 1 A 40 40 SER HA H 67 4.780 4.877 -0.097 1 1 495 . 5 1 1 A 40 40 SER C C 67 174.360 174.645 -0.285 1 1 496 . 5 1 1 A 40 40 SER CA C 67 56.580 56.713 -0.133 1 1 497 . 5 1 1 A 40 40 SER CB C 67 66.290 65.950 0.340 1 1 498 . 5 1 1 A 40 40 SER N N 67 115.210 114.623 0.587 1 1 499 . 5 1 1 A 41 41 LYS H H 68 9.020 8.769 0.251 1 1 500 . 5 1 1 A 41 41 LYS HA H 68 4.210 4.051 0.159 1 1 509 . 5 1 1 A 41 41 LYS C C 68 177.730 176.903 0.827 1 1 510 . 5 1 1 A 41 41 LYS CA C 68 59.240 58.698 0.542 1 1 511 . 5 1 1 A 41 41 LYS CB C 68 31.660 31.752 -0.092 1 1 515 . 5 1 1 A 41 41 LYS N N 68 118.790 118.266 0.524 1 1 516 . 5 1 1 A 42 42 CYS H H 69 8.090 7.334 0.756 1 1 517 . 5 1 1 A 42 42 CYS HA H 69 4.750 4.682 0.068 1 1 520 . 5 1 1 A 42 42 CYS C C 69 173.260 174.115 -0.855 1 1 521 . 5 1 1 A 42 42 CYS CA C 69 52.780 57.150 -4.370 1 1 522 . 5 1 1 A 42 42 CYS CB C 69 39.470 44.517 -5.047 1 1 523 . 5 1 1 A 42 42 CYS N N 69 113.650 115.102 -1.452 1 1 524 . 5 1 1 A 43 43 ILE H H 70 7.550 7.666 -0.116 1 1 525 . 5 1 1 A 43 43 ILE HA H 70 5.210 4.687 0.523 1 1 535 . 5 1 1 A 43 43 ILE C C 70 171.870 174.967 -3.097 1 1 536 . 5 1 1 A 43 43 ILE CA C 70 59.800 62.016 -2.216 1 1 537 . 5 1 1 A 43 43 ILE CB C 70 42.550 39.002 3.548 1 1 541 . 5 1 1 A 43 43 ILE N N 70 118.580 121.669 -3.089 1 1 542 . 5 1 1 A 44 44 SER H H 71 8.190 8.693 -0.503 1 1 543 . 5 1 1 A 44 44 SER HA H 71 5.190 5.179 0.011 1 1 546 . 5 1 1 A 44 44 SER C C 71 173.790 173.686 0.104 1 1 547 . 5 1 1 A 44 44 SER CA C 71 56.980 57.496 -0.516 1 1 548 . 5 1 1 A 44 44 SER CB C 71 64.910 64.956 -0.046 1 1 549 . 5 1 1 A 44 44 SER N N 71 117.640 122.505 -4.865 1 1 550 . 5 1 1 A 45 45 GLY H H 72 9.720 9.565 0.155 1 1 551 . 5 1 1 A 45 45 GLY HA2 H 72 5.280 4.257 1.023 1 1 552 . 5 1 1 A 45 45 GLY HA3 H 72 3.460 4.261 -0.801 1 1 553 . 5 1 1 A 45 45 GLY C C 72 171.300 171.893 -0.593 1 1 554 . 5 1 1 A 45 45 GLY CA C 72 45.230 44.934 0.296 1 1 555 . 5 1 1 A 45 45 GLY N N 72 114.160 114.489 -0.329 1 1 556 . 5 1 1 A 46 46 LYS H H 73 8.340 8.883 -0.543 1 1 557 . 5 1 1 A 46 46 LYS HA H 73 5.530 5.127 0.403 1 1 566 . 5 1 1 A 46 46 LYS C C 73 174.510 174.917 -0.407 1 1 567 . 5 1 1 A 46 46 LYS CA C 73 54.930 55.219 -0.289 1 1 568 . 5 1 1 A 46 46 LYS CB C 73 36.420 34.675 1.745 1 1 572 . 5 1 1 A 46 46 LYS N N 73 123.520 123.476 0.044 1 1 573 . 5 1 1 A 47 47 ALA H H 74 8.440 8.180 0.260 1 1 574 . 5 1 1 A 47 47 ALA HA H 74 4.400 4.822 -0.422 1 1 578 . 5 1 1 A 47 47 ALA C C 74 175.850 175.073 0.777 1 1 579 . 5 1 1 A 47 47 ALA CA C 74 49.860 51.083 -1.223 1 1 580 . 5 1 1 A 47 47 ALA CB C 74 20.750 22.641 -1.891 1 1 581 . 5 1 1 A 47 47 ALA N N 74 125.710 126.670 -0.960 1 1 582 . 5 1 1 A 48 48 VAL H H 75 7.840 7.862 -0.022 1 1 583 . 5 1 1 A 48 48 VAL HA H 75 4.640 4.606 0.034 1 1 591 . 5 1 1 A 48 48 VAL C C 75 176.660 174.457 2.203 1 1 592 . 5 1 1 A 48 48 VAL CA C 75 61.160 60.673 0.487 1 1 593 . 5 1 1 A 48 48 VAL CB C 75 32.180 34.944 -2.764 1 1 596 . 5 1 1 A 48 48 VAL N N 75 120.660 118.887 1.773 1 1 597 . 5 1 1 A 49 49 TYR H H 76 8.340 8.391 -0.051 1 1 598 . 5 1 1 A 49 49 TYR HA H 76 5.230 5.837 -0.607 1 1 605 . 5 1 1 A 49 49 TYR C C 76 173.480 174.068 -0.588 1 1 606 . 5 1 1 A 49 49 TYR CA C 76 54.940 55.159 -0.219 1 1 607 . 5 1 1 A 49 49 TYR CB C 76 42.030 41.550 0.480 1 1 612 . 5 1 1 A 49 49 TYR N N 76 126.510 124.043 2.467 1 1 613 . 5 1 1 A 50 50 SER H H 77 8.360 8.282 0.078 1 1 614 . 5 1 1 A 50 50 SER HA H 77 4.560 5.172 -0.612 1 1 617 . 5 1 1 A 50 50 SER C C 77 171.180 172.948 -1.768 1 1 618 . 5 1 1 A 50 50 SER CA C 77 56.890 56.541 0.349 1 1 619 . 5 1 1 A 50 50 SER CB C 77 65.650 66.495 -0.845 1 1 620 . 5 1 1 A 50 50 SER N N 77 111.300 114.325 -3.025 1 1 621 . 5 1 1 A 51 51 PHE H H 78 8.660 8.711 -0.051 1 1 622 . 5 1 1 A 51 51 PHE HA H 78 5.860 5.738 0.122 1 1 630 . 5 1 1 A 51 51 PHE C C 78 176.800 174.656 2.144 1 1 631 . 5 1 1 A 51 51 PHE CA C 78 56.090 56.464 -0.374 1 1 632 . 5 1 1 A 51 51 PHE CB C 78 42.280 42.758 -0.478 1 1 638 . 5 1 1 A 51 51 PHE N N 78 116.710 119.682 -2.972 1 1 639 . 5 1 1 A 52 52 ASN H H 79 9.190 9.097 0.093 1 1 640 . 5 1 1 A 52 52 ASN HA H 79 4.900 5.117 -0.217 1 1 645 . 5 1 1 A 52 52 ASN C C 79 174.870 174.416 0.454 1 1 646 . 5 1 1 A 52 52 ASN CA C 79 53.300 52.948 0.352 1 1 647 . 5 1 1 A 52 52 ASN CB C 79 41.350 41.033 0.317 1 1 648 . 5 1 1 A 52 52 ASN N N 79 119.620 120.733 -1.113 1 1 650 . 5 1 1 A 53 53 ALA H H 80 9.650 9.270 0.380 1 1 651 . 5 1 1 A 53 53 ALA HA H 80 4.110 4.114 -0.004 1 1 655 . 5 1 1 A 53 53 ALA C C 80 176.800 177.231 -0.431 1 1 656 . 5 1 1 A 53 53 ALA CA C 80 52.860 53.406 -0.546 1 1 657 . 5 1 1 A 53 53 ALA CB C 80 16.760 17.895 -1.135 1 1 658 . 5 1 1 A 53 53 ALA N N 80 131.210 129.968 1.242 1 1 659 . 5 1 1 A 54 54 GLY H H 81 8.850 8.656 0.194 1 1 660 . 5 1 1 A 54 54 GLY HA2 H 81 4.320 3.906 0.414 1 1 661 . 5 1 1 A 54 54 GLY HA3 H 81 4.220 3.923 0.297 1 1 662 . 5 1 1 A 54 54 GLY C C 81 173.950 174.071 -0.121 1 1 663 . 5 1 1 A 54 54 GLY CA C 81 45.320 45.496 -0.176 1 1 664 . 5 1 1 A 54 54 GLY N N 81 104.570 102.512 2.058 1 1 665 . 5 1 1 A 55 55 LYS H H 82 8.030 7.754 0.276 1 1 666 . 5 1 1 A 55 55 LYS HA H 82 4.910 4.473 0.437 1 1 675 . 5 1 1 A 55 55 LYS C C 82 174.120 175.831 -1.711 1 1 676 . 5 1 1 A 55 55 LYS CA C 82 54.350 56.032 -1.682 1 1 677 . 5 1 1 A 55 55 LYS CB C 82 34.010 32.139 1.871 1 1 681 . 5 1 1 A 55 55 LYS N N 82 120.230 120.709 -0.479 1 1 682 . 5 1 1 A 56 56 PHE H H 83 9.390 9.498 -0.108 1 1 683 . 5 1 1 A 56 56 PHE HA H 83 4.250 4.593 -0.343 1 1 691 . 5 1 1 A 56 56 PHE C C 83 173.870 174.200 -0.330 1 1 692 . 5 1 1 A 56 56 PHE CA C 83 56.630 56.949 -0.319 1 1 693 . 5 1 1 A 56 56 PHE CB C 83 40.940 40.526 0.414 1 1 699 . 5 1 1 A 56 56 PHE N N 83 125.150 125.774 -0.624 1 1 700 . 5 1 1 A 57 57 MET H H 84 8.270 8.782 -0.512 1 1 701 . 5 1 1 A 57 57 MET HA H 84 5.140 6.051 -0.911 1 1 709 . 5 1 1 A 57 57 MET C C 84 174.090 175.133 -1.043 1 1 710 . 5 1 1 A 57 57 MET CA C 84 53.600 53.794 -0.194 1 1 711 . 5 1 1 A 57 57 MET CB C 84 36.190 36.844 -0.654 1 1 714 . 5 1 1 A 57 57 MET N N 84 124.270 125.032 -0.762 1 1 715 . 5 1 1 A 58 58 GLY H H 85 7.420 8.183 -0.763 1 1 716 . 5 1 1 A 58 58 GLY HA2 H 85 3.900 3.755 0.145 1 1 717 . 5 1 1 A 58 58 GLY HA3 H 85 2.790 3.873 -1.083 1 1 718 . 5 1 1 A 58 58 GLY C C 85 169.900 171.743 -1.843 1 1 719 . 5 1 1 A 58 58 GLY CA C 85 45.620 45.237 0.383 1 1 720 . 5 1 1 A 58 58 GLY N N 85 103.440 107.649 -4.209 1 1 721 . 5 1 1 A 59 59 ASN H H 86 8.410 8.308 0.102 1 1 722 . 5 1 1 A 59 59 ASN HA H 86 4.890 4.999 -0.109 1 1 727 . 5 1 1 A 59 59 ASN C C 86 174.650 174.619 0.031 1 1 728 . 5 1 1 A 59 59 ASN CA C 86 51.110 52.716 -1.606 1 1 729 . 5 1 1 A 59 59 ASN CB C 86 38.140 39.648 -1.508 1 1 730 . 5 1 1 A 59 59 ASN N N 86 122.270 122.890 -0.620 1 1 732 . 5 1 1 A 60 60 PHE H H 87 8.870 8.979 -0.109 1 1 733 . 5 1 1 A 60 60 PHE HA H 87 4.120 5.144 -1.024 1 1 741 . 5 1 1 A 60 60 PHE C C 87 175.620 175.233 0.387 1 1 742 . 5 1 1 A 60 60 PHE CA C 87 58.850 57.070 1.780 1 1 743 . 5 1 1 A 60 60 PHE CB C 87 39.910 40.947 -1.037 1 1 749 . 5 1 1 A 60 60 PHE N N 87 123.420 125.687 -2.267 1 1 750 . 5 1 1 A 61 61 ASN H H 88 8.610 9.052 -0.442 1 1 751 . 5 1 1 A 61 61 ASN HA H 88 4.900 5.076 -0.176 1 1 756 . 5 1 1 A 61 61 ASN C C 88 175.090 173.930 1.160 1 1 757 . 5 1 1 A 61 61 ASN CA C 88 52.690 52.022 0.668 1 1 758 . 5 1 1 A 61 61 ASN CB C 88 39.830 39.098 0.732 1 1 759 . 5 1 1 A 61 61 ASN N N 88 121.520 119.617 1.903 1 1 761 . 5 1 1 A 62 62 VAL H H 89 8.890 7.360 1.530 1 1 762 . 5 1 1 A 62 62 VAL HA H 89 4.820 3.983 0.837 1 1 770 . 5 1 1 A 62 62 VAL C C 89 174.650 175.536 -0.886 1 1 771 . 5 1 1 A 62 62 VAL CA C 89 60.870 63.145 -2.275 1 1 772 . 5 1 1 A 62 62 VAL CB C 89 34.690 32.035 2.655 1 1 775 . 5 1 1 A 62 62 VAL N N 89 123.750 121.703 2.047 1 1 776 . 5 1 1 A 63 63 LYS H H 90 8.750 8.996 -0.246 1 1 777 . 5 1 1 A 63 63 LYS HA H 90 4.670 4.834 -0.164 1 1 786 . 5 1 1 A 63 63 LYS C C 90 174.990 175.482 -0.492 1 1 787 . 5 1 1 A 63 63 LYS CA C 90 55.010 55.394 -0.384 1 1 788 . 5 1 1 A 63 63 LYS CB C 90 34.030 33.473 0.557 1 1 792 . 5 1 1 A 63 63 LYS N N 90 126.210 127.918 -1.708 1 1 793 . 5 1 1 A 64 64 GLU H H 91 9.170 9.024 0.146 1 1 794 . 5 1 1 A 64 64 GLU HA H 91 5.020 5.216 -0.196 1 1 799 . 5 1 1 A 64 64 GLU C C 91 175.680 174.951 0.729 1 1 800 . 5 1 1 A 64 64 GLU CA C 91 54.400 55.105 -0.705 1 1 801 . 5 1 1 A 64 64 GLU CB C 91 32.690 33.581 -0.891 1 1 803 . 5 1 1 A 64 64 GLU N N 91 128.500 127.963 0.537 1 1 804 . 5 1 1 A 65 65 VAL H H 92 8.330 9.228 -0.898 1 1 805 . 5 1 1 A 65 65 VAL HA H 92 3.880 5.152 -1.272 1 1 813 . 5 1 1 A 65 65 VAL C C 92 175.940 173.539 2.401 1 1 814 . 5 1 1 A 65 65 VAL CA C 92 62.290 59.715 2.575 1 1 815 . 5 1 1 A 65 65 VAL CB C 92 32.080 34.832 -2.752 1 1 818 . 5 1 1 A 65 65 VAL N N 92 126.870 119.695 7.175 1 1 819 . 5 1 1 A 66 66 ASP H H 93 8.810 8.854 -0.044 1 1 820 . 5 1 1 A 66 66 ASP HA H 93 4.440 5.399 -0.959 1 1 823 . 5 1 1 A 66 66 ASP C C 93 177.330 176.815 0.515 1 1 824 . 5 1 1 A 66 66 ASP CA C 93 55.950 52.547 3.403 1 1 825 . 5 1 1 A 66 66 ASP CB C 93 40.760 43.952 -3.192 1 1 826 . 5 1 1 A 66 66 ASP N N 93 130.720 123.394 7.326 1 1 827 . 5 1 1 A 67 67 GLY H H 94 8.910 8.882 0.028 1 1 828 . 5 1 1 A 67 67 GLY HA2 H 94 4.020 3.917 0.103 1 1 829 . 5 1 1 A 67 67 GLY HA3 H 94 3.820 3.927 -0.107 1 1 830 . 5 1 1 A 67 67 GLY C C 94 173.530 174.819 -1.289 1 1 831 . 5 1 1 A 67 67 GLY CA C 94 45.830 45.059 0.771 1 1 832 . 5 1 1 A 67 67 GLY N N 94 112.760 112.964 -0.204 1 1 833 . 5 1 1 A 68 68 CYS H H 95 7.540 7.999 -0.459 1 1 834 . 5 1 1 A 68 68 CYS HA H 95 4.260 4.134 0.126 1 1 837 . 5 1 1 A 68 68 CYS C C 95 175.640 175.123 0.517 1 1 838 . 5 1 1 A 68 68 CYS CA C 95 58.280 59.211 -0.931 1 1 839 . 5 1 1 A 68 68 CYS CB C 95 38.240 41.963 -3.723 1 1 840 . 5 1 1 A 68 68 CYS N N 95 119.700 119.943 -0.243 1 1 841 . 5 1 1 A 69 69 PHE H H 96 8.850 7.735 1.115 1 1 842 . 5 1 1 A 69 69 PHE HA H 96 5.010 4.611 0.399 1 1 850 . 5 1 1 A 69 69 PHE C C 96 177.330 175.372 1.958 1 1 851 . 5 1 1 A 69 69 PHE CA C 96 56.460 57.638 -1.178 1 1 852 . 5 1 1 A 69 69 PHE CB C 96 40.020 38.790 1.230 1 1 858 . 5 1 1 A 69 69 PHE N N 96 117.790 116.910 0.880 1 1 859 . 5 1 1 A 70 70 MET H H 97 8.710 8.247 0.463 1 1 860 . 5 1 1 A 70 70 MET HA H 97 4.700 4.154 0.546 1 1 868 . 5 1 1 A 70 70 MET C C 97 177.650 176.185 1.465 1 1 869 . 5 1 1 A 70 70 MET CA C 97 54.570 57.555 -2.985 1 1 870 . 5 1 1 A 70 70 MET CB C 97 33.990 31.361 2.629 1 1 873 . 5 1 1 A 70 70 MET N N 97 119.890 116.375 3.515 1 1 874 . 5 1 1 A 71 71 ASP H H 98 8.980 8.696 0.284 1 1 875 . 5 1 1 A 71 71 ASP HA H 98 4.280 4.806 -0.526 1 1 878 . 5 1 1 A 71 71 ASP C C 98 177.920 177.085 0.835 1 1 879 . 5 1 1 A 71 71 ASP CA C 98 58.380 55.415 2.965 1 1 880 . 5 1 1 A 71 71 ASP CB C 98 40.100 42.426 -2.326 1 1 881 . 5 1 1 A 71 71 ASP N N 98 123.440 124.828 -1.388 1 1 882 . 5 1 1 A 72 72 ALA H H 99 8.950 8.108 0.842 1 1 883 . 5 1 1 A 72 72 ALA HA H 99 4.030 4.113 -0.083 1 1 887 . 5 1 1 A 72 72 ALA C C 99 180.740 179.363 1.377 1 1 888 . 5 1 1 A 72 72 ALA CA C 99 55.020 54.333 0.687 1 1 889 . 5 1 1 A 72 72 ALA CB C 99 18.280 18.482 -0.202 1 1 890 . 5 1 1 A 72 72 ALA N N 99 119.200 122.379 -3.179 1 1 891 . 5 1 1 A 73 73 GLN H H 100 7.120 7.762 -0.642 1 1 892 . 5 1 1 A 73 73 GLN HA H 100 4.020 4.767 -0.747 1 1 899 . 5 1 1 A 73 73 GLN C C 100 176.880 178.371 -1.491 1 1 900 . 5 1 1 A 73 73 GLN CA C 100 57.720 58.681 -0.961 1 1 901 . 5 1 1 A 73 73 GLN CB C 100 28.940 28.300 0.640 1 1 903 . 5 1 1 A 73 73 GLN N N 100 115.380 117.965 -2.585 1 1 905 . 5 1 1 A 74 74 LYS H H 101 7.760 7.800 -0.040 1 1 906 . 5 1 1 A 74 74 LYS HA H 101 3.510 4.067 -0.557 1 1 915 . 5 1 1 A 74 74 LYS C C 101 177.610 178.649 -1.039 1 1 916 . 5 1 1 A 74 74 LYS CA C 101 58.500 59.021 -0.521 1 1 917 . 5 1 1 A 74 74 LYS CB C 101 31.790 32.413 -0.623 1 1 921 . 5 1 1 A 74 74 LYS N N 101 119.560 121.413 -1.853 1 1 922 . 5 1 1 A 75 75 ILE H H 102 7.760 8.129 -0.369 1 1 923 . 5 1 1 A 75 75 ILE HA H 102 3.750 3.612 0.138 1 1 933 . 5 1 1 A 75 75 ILE C C 102 178.530 177.610 0.920 1 1 934 . 5 1 1 A 75 75 ILE CA C 102 64.200 65.506 -1.306 1 1 935 . 5 1 1 A 75 75 ILE CB C 102 38.170 37.602 0.568 1 1 939 . 5 1 1 A 75 75 ILE N N 102 117.490 120.125 -2.635 1 1 940 . 5 1 1 A 76 76 ALA H H 103 7.090 8.586 -1.496 1 1 941 . 5 1 1 A 76 76 ALA HA H 103 3.990 3.858 0.132 1 1 945 . 5 1 1 A 76 76 ALA C C 103 178.650 180.304 -1.654 1 1 946 . 5 1 1 A 76 76 ALA CA C 103 55.020 55.228 -0.208 1 1 947 . 5 1 1 A 76 76 ALA CB C 103 18.570 18.331 0.239 1 1 948 . 5 1 1 A 76 76 ALA N N 103 121.190 121.914 -0.724 1 1 949 . 5 1 1 A 77 77 ILE H H 104 8.150 7.581 0.569 1 1 950 . 5 1 1 A 77 77 ILE HA H 104 3.420 3.509 -0.089 1 1 960 . 5 1 1 A 77 77 ILE C C 104 176.670 177.326 -0.656 1 1 961 . 5 1 1 A 77 77 ILE CA C 104 63.130 64.577 -1.447 1 1 962 . 5 1 1 A 77 77 ILE CB C 104 36.680 36.369 0.311 1 1 966 . 5 1 1 A 77 77 ILE N N 104 119.240 118.639 0.601 1 1 967 . 5 1 1 A 78 78 ASP H H 105 8.290 8.803 -0.513 1 1 968 . 5 1 1 A 78 78 ASP HA H 105 4.440 4.197 0.243 1 1 971 . 5 1 1 A 78 78 ASP C C 105 180.350 178.532 1.818 1 1 972 . 5 1 1 A 78 78 ASP CA C 105 57.440 57.927 -0.487 1 1 973 . 5 1 1 A 78 78 ASP CB C 105 39.430 42.179 -2.749 1 1 974 . 5 1 1 A 78 78 ASP N N 105 121.080 121.776 -0.696 1 1 975 . 5 1 1 A 79 79 LYS H H 106 7.960 7.962 -0.002 1 1 976 . 5 1 1 A 79 79 LYS HA H 106 4.010 4.099 -0.089 1 1 985 . 5 1 1 A 79 79 LYS C C 106 178.580 179.019 -0.439 1 1 986 . 5 1 1 A 79 79 LYS CA C 106 59.780 59.352 0.428 1 1 987 . 5 1 1 A 79 79 LYS CB C 106 31.800 32.340 -0.540 1 1 991 . 5 1 1 A 79 79 LYS N N 106 121.340 118.410 2.930 1 1 992 . 5 1 1 A 80 80 LEU H H 107 8.230 8.138 0.092 1 1 993 . 5 1 1 A 80 80 LEU HA H 107 3.990 4.170 -0.180 1 1 1003 . 5 1 1 A 80 80 LEU C C 107 178.230 178.304 -0.074 1 1 1004 . 5 1 1 A 80 80 LEU CA C 107 58.570 58.208 0.362 1 1 1005 . 5 1 1 A 80 80 LEU CB C 107 41.110 41.603 -0.493 1 1 1009 . 5 1 1 A 80 80 LEU N N 107 123.530 121.420 2.110 1 1 1010 . 5 1 1 A 81 81 PHE H H 108 8.050 8.536 -0.486 1 1 1011 . 5 1 1 A 81 81 PHE HA H 108 4.350 3.965 0.385 1 1 1019 . 5 1 1 A 81 81 PHE C C 108 179.570 178.854 0.716 1 1 1020 . 5 1 1 A 81 81 PHE CA C 108 61.070 60.769 0.301 1 1 1021 . 5 1 1 A 81 81 PHE CB C 108 37.010 38.177 -1.167 1 1 1027 . 5 1 1 A 81 81 PHE N N 108 116.720 117.702 -0.982 1 1 1028 . 5 1 1 A 82 82 SER H H 109 8.410 8.496 -0.086 1 1 1029 . 5 1 1 A 82 82 SER HA H 109 4.360 4.337 0.023 1 1 1032 . 5 1 1 A 82 82 SER C C 109 176.200 177.670 -1.470 1 1 1033 . 5 1 1 A 82 82 SER CA C 109 61.830 61.488 0.342 1 1 1034 . 5 1 1 A 82 82 SER CB C 109 62.570 62.666 -0.096 1 1 1035 . 5 1 1 A 82 82 SER N N 109 118.120 115.623 2.497 1 1 1036 . 5 1 1 A 83 83 MET H H 110 8.420 8.218 0.202 1 1 1037 . 5 1 1 A 83 83 MET HA H 110 4.210 4.152 0.058 1 1 1043 . 5 1 1 A 83 83 MET C C 110 178.260 178.797 -0.537 1 1 1044 . 5 1 1 A 83 83 MET CA C 110 59.170 59.056 0.114 1 1 1045 . 5 1 1 A 83 83 MET CB C 110 31.240 32.733 -1.493 1 1 1047 . 5 1 1 A 83 83 MET N N 110 123.040 120.511 2.529 1 1 1048 . 5 1 1 A 84 84 LEU H H 111 8.080 8.150 -0.070 1 1 1049 . 5 1 1 A 84 84 LEU HA H 111 4.140 3.993 0.147 1 1 1059 . 5 1 1 A 84 84 LEU C C 111 178.030 179.037 -1.007 1 1 1060 . 5 1 1 A 84 84 LEU CA C 111 57.390 58.307 -0.917 1 1 1061 . 5 1 1 A 84 84 LEU CB C 111 41.430 41.768 -0.338 1 1 1065 . 5 1 1 A 84 84 LEU N N 111 117.910 119.865 -1.955 1 1 1066 . 5 1 1 A 85 85 LYS H H 112 7.640 7.549 0.091 1 1 1067 . 5 1 1 A 85 85 LYS HA H 112 4.110 4.075 0.035 1 1 1076 . 5 1 1 A 85 85 LYS C C 112 177.650 178.026 -0.376 1 1 1077 . 5 1 1 A 85 85 LYS CA C 112 58.750 59.400 -0.650 1 1 1078 . 5 1 1 A 85 85 LYS CB C 112 32.240 31.853 0.387 1 1 1082 . 5 1 1 A 85 85 LYS N N 112 119.340 117.122 2.218 1 1 1083 . 5 1 1 A 86 86 ASP H H 113 7.350 7.746 -0.396 1 1 1084 . 5 1 1 A 86 86 ASP HA H 113 4.570 4.704 -0.134 1 1 1087 . 5 1 1 A 86 86 ASP C C 113 176.950 176.500 0.450 1 1 1088 . 5 1 1 A 86 86 ASP CA C 113 55.770 54.197 1.573 1 1 1089 . 5 1 1 A 86 86 ASP CB C 113 42.420 41.421 0.999 1 1 1090 . 5 1 1 A 86 86 ASP N N 113 117.210 117.404 -0.194 1 1 1091 . 5 1 1 A 87 87 GLY H H 114 7.760 7.865 -0.105 1 1 1092 . 5 1 1 A 87 87 GLY HA2 H 114 4.380 4.067 0.313 1 1 1093 . 5 1 1 A 87 87 GLY HA3 H 114 4.380 4.089 0.291 1 1 1094 . 5 1 1 A 87 87 GLY C C 114 173.000 174.026 -1.026 1 1 1095 . 5 1 1 A 87 87 GLY CA C 114 44.490 45.340 -0.850 1 1 1096 . 5 1 1 A 87 87 GLY N N 114 107.740 106.971 0.769 1 1 1097 . 5 1 1 A 88 88 VAL H H 115 9.350 8.985 0.365 1 1 1098 . 5 1 1 A 88 88 VAL HA H 115 4.960 4.807 0.153 1 1 1106 . 5 1 1 A 88 88 VAL C C 115 173.100 174.310 -1.210 1 1 1107 . 5 1 1 A 88 88 VAL CA C 115 58.650 62.168 -3.518 1 1 1108 . 5 1 1 A 88 88 VAL CB C 115 35.910 33.399 2.511 1 1 1111 . 5 1 1 A 88 88 VAL N N 115 118.050 124.366 -6.316 1 1 1112 . 5 1 1 A 89 89 VAL H H 116 9.000 9.774 -0.774 1 1 1113 . 5 1 1 A 89 89 VAL HA H 116 4.550 4.898 -0.348 1 1 1121 . 5 1 1 A 89 89 VAL C C 116 174.640 174.916 -0.276 1 1 1122 . 5 1 1 A 89 89 VAL CA C 116 61.360 59.937 1.423 1 1 1123 . 5 1 1 A 89 89 VAL CB C 116 33.760 34.196 -0.436 1 1 1126 . 5 1 1 A 89 89 VAL N N 116 121.030 128.088 -7.058 1 1 1127 . 5 1 1 A 90 90 LEU H H 117 8.950 8.702 0.248 1 1 1128 . 5 1 1 A 90 90 LEU HA H 117 5.160 5.281 -0.121 1 1 1138 . 5 1 1 A 90 90 LEU C C 117 176.150 176.804 -0.654 1 1 1139 . 5 1 1 A 90 90 LEU CA C 117 52.230 54.681 -2.451 1 1 1140 . 5 1 1 A 90 90 LEU CB C 117 44.280 41.573 2.707 1 1 1144 . 5 1 1 A 90 90 LEU N N 117 125.420 129.414 -3.994 1 1 1145 . 5 1 1 A 91 91 LYS H H 118 8.280 8.591 -0.311 1 1 1146 . 5 1 1 A 91 91 LYS HA H 118 4.900 4.554 0.346 1 1 1155 . 5 1 1 A 91 91 LYS C C 118 175.300 174.985 0.315 1 1 1156 . 5 1 1 A 91 91 LYS CA C 118 53.810 55.529 -1.719 1 1 1157 . 5 1 1 A 91 91 LYS CB C 118 36.840 36.738 0.102 1 1 1161 . 5 1 1 A 91 91 LYS N N 118 119.720 121.569 -1.849 1 1 1162 . 5 1 1 A 92 92 GLY H H 119 9.030 8.249 0.781 1 1 1163 . 5 1 1 A 92 92 GLY HA2 H 119 3.750 4.256 -0.506 1 1 1164 . 5 1 1 A 92 92 GLY HA3 H 119 3.750 4.264 -0.514 1 1 1165 . 5 1 1 A 92 92 GLY CA C 119 43.980 45.142 -1.162 1 1 1166 . 5 1 1 A 92 92 GLY N N 119 109.730 108.845 0.885 1 1 1167 . 5 1 1 A 94 94 LYS HA H 121 4.760 4.754 0.006 1 1 1168 . 5 1 1 A 95 95 ILE H H 122 7.700 8.794 -1.094 1 1 1169 . 5 1 1 A 95 95 ILE HA H 122 4.160 4.799 -0.639 1 1 1179 . 5 1 1 A 95 95 ILE CA C 122 61.270 59.079 2.191 1 1 1180 . 5 1 1 A 95 95 ILE CB C 122 37.590 39.941 -2.351 1 1 1184 . 5 1 1 A 95 95 ILE N N 122 117.400 125.758 -8.358 1 1 1185 . 5 1 1 A 98 98 THR HA H 125 5.810 4.754 1.056 1 1 1190 . 5 1 1 A 98 98 THR CA C 125 61.740 60.919 0.821 1 1 1191 . 5 1 1 A 98 98 THR CB C 125 73.450 72.483 0.967 1 1 1193 . 5 1 1 A 99 99 ILE HA H 126 4.630 4.672 -0.042 1 1 1203 . 5 1 1 A 99 99 ILE C C 126 174.430 175.145 -0.715 1 1 1204 . 5 1 1 A 99 99 ILE CA C 126 59.980 59.934 0.046 1 1 1205 . 5 1 1 A 99 99 ILE CB C 126 40.970 39.275 1.695 1 1 1209 . 5 1 1 A 100 100 LEU H H 127 9.530 8.755 0.775 1 1 1210 . 5 1 1 A 100 100 LEU HA H 127 4.420 5.069 -0.649 1 1 1220 . 5 1 1 A 100 100 LEU C C 127 174.930 175.439 -0.509 1 1 1221 . 5 1 1 A 100 100 LEU CA C 127 54.030 53.506 0.524 1 1 1222 . 5 1 1 A 100 100 LEU CB C 127 42.520 45.315 -2.795 1 1 1226 . 5 1 1 A 100 100 LEU N N 127 127.300 126.085 1.215 1 1 1227 . 5 1 1 A 101 101 ILE H H 128 8.260 9.178 -0.918 1 1 1228 . 5 1 1 A 101 101 ILE HA H 128 4.320 4.664 -0.344 1 1 1238 . 5 1 1 A 101 101 ILE C C 128 173.880 174.627 -0.747 1 1 1239 . 5 1 1 A 101 101 ILE CA C 128 60.900 60.272 0.628 1 1 1240 . 5 1 1 A 101 101 ILE CB C 128 37.410 38.419 -1.009 1 1 1244 . 5 1 1 A 101 101 ILE N N 128 119.990 123.564 -3.574 1 1 1245 . 5 1 1 A 102 102 GLU H H 129 9.580 8.944 0.636 1 1 1246 . 5 1 1 A 102 102 GLU HA H 129 5.120 5.505 -0.385 1 1 1251 . 5 1 1 A 102 102 GLU C C 129 174.240 174.775 -0.535 1 1 1252 . 5 1 1 A 102 102 GLU CA C 129 54.050 54.826 -0.776 1 1 1253 . 5 1 1 A 102 102 GLU CB C 129 33.630 33.705 -0.075 1 1 1255 . 5 1 1 A 102 102 GLU N N 129 129.780 129.868 -0.088 1 1 1256 . 5 1 1 A 103 103 LYS H H 130 8.680 8.586 0.094 1 1 1257 . 5 1 1 A 103 103 LYS HA H 130 4.720 4.830 -0.110 1 1 1264 . 5 1 1 A 103 103 LYS C C 130 175.280 174.808 0.472 1 1 1265 . 5 1 1 A 103 103 LYS CA C 130 55.190 55.386 -0.196 1 1 1266 . 5 1 1 A 103 103 LYS CB C 130 36.750 35.565 1.185 1 1 1270 . 5 1 1 A 103 103 LYS N N 130 123.420 123.314 0.106 1 1 1271 . 5 1 1 A 104 104 ASP H H 131 9.530 9.363 0.167 1 1 1272 . 5 1 1 A 104 104 ASP HA H 131 4.290 4.371 -0.081 1 1 1275 . 5 1 1 A 104 104 ASP C C 131 176.090 176.268 -0.178 1 1 1276 . 5 1 1 A 104 104 ASP CA C 131 55.370 55.288 0.082 1 1 1277 . 5 1 1 A 104 104 ASP CB C 131 39.260 39.210 0.050 1 1 1278 . 5 1 1 A 104 104 ASP N N 131 127.440 120.358 7.082 1 1 1279 . 5 1 1 A 105 105 GLY H H 132 8.970 8.619 0.351 1 1 1280 . 5 1 1 A 105 105 GLY HA2 H 132 4.090 3.843 0.247 1 1 1281 . 5 1 1 A 105 105 GLY HA3 H 132 3.550 3.844 -0.294 1 1 1282 . 5 1 1 A 105 105 GLY C C 132 173.130 173.567 -0.437 1 1 1283 . 5 1 1 A 105 105 GLY CA C 132 45.230 45.498 -0.268 1 1 1284 . 5 1 1 A 105 105 GLY N N 132 103.820 105.050 -1.230 1 1 1285 . 5 1 1 A 106 106 GLU H H 133 7.720 7.748 -0.028 1 1 1286 . 5 1 1 A 106 106 GLU HA H 133 4.720 4.912 -0.192 1 1 1291 . 5 1 1 A 106 106 GLU C C 133 174.940 174.784 0.156 1 1 1292 . 5 1 1 A 106 106 GLU CA C 133 53.770 54.489 -0.719 1 1 1293 . 5 1 1 A 106 106 GLU CB C 133 32.820 32.874 -0.054 1 1 1295 . 5 1 1 A 106 106 GLU N N 133 120.200 115.655 4.545 1 1 1296 . 5 1 1 A 107 107 VAL H H 134 8.900 8.763 0.137 1 1 1297 . 5 1 1 A 107 107 VAL HA H 134 3.760 4.524 -0.764 1 1 1305 . 5 1 1 A 107 107 VAL C C 134 175.340 176.136 -0.796 1 1 1306 . 5 1 1 A 107 107 VAL CA C 134 64.230 60.699 3.531 1 1 1307 . 5 1 1 A 107 107 VAL CB C 134 31.160 33.338 -2.178 1 1 1310 . 5 1 1 A 107 107 VAL N N 134 125.990 123.050 2.940 1 1 1311 . 5 1 1 A 108 108 LYS H H 135 9.250 8.472 0.778 1 1 1312 . 5 1 1 A 108 108 LYS HA H 135 4.810 4.636 0.174 1 1 1321 . 5 1 1 A 108 108 LYS C C 135 174.390 175.784 -1.394 1 1 1322 . 5 1 1 A 108 108 LYS CA C 135 54.740 55.794 -1.054 1 1 1323 . 5 1 1 A 108 108 LYS CB C 135 34.690 33.674 1.016 1 1 1327 . 5 1 1 A 108 108 LYS N N 135 126.060 124.142 1.918 1 1 1328 . 5 1 1 A 109 109 LEU H H 136 7.690 7.147 0.543 1 1 1329 . 5 1 1 A 109 109 LEU HA H 136 4.820 5.364 -0.544 1 1 1339 . 5 1 1 A 109 109 LEU C C 136 172.450 174.375 -1.925 1 1 1340 . 5 1 1 A 109 109 LEU CA C 136 53.250 53.663 -0.413 1 1 1341 . 5 1 1 A 109 109 LEU CB C 136 47.800 46.086 1.714 1 1 1345 . 5 1 1 A 109 109 LEU N N 136 116.670 120.739 -4.069 1 1 1346 . 5 1 1 A 110 110 LYS H H 137 9.170 8.739 0.431 1 1 1347 . 5 1 1 A 110 110 LYS HA H 137 5.050 4.926 0.124 1 1 1356 . 5 1 1 A 110 110 LYS C C 137 172.760 175.000 -2.240 1 1 1357 . 5 1 1 A 110 110 LYS CA C 137 54.090 54.622 -0.532 1 1 1358 . 5 1 1 A 110 110 LYS CB C 137 36.560 37.067 -0.507 1 1 1362 . 5 1 1 A 110 110 LYS N N 137 117.050 122.965 -5.915 1 1 1363 . 5 1 1 A 111 111 LEU H H 138 9.400 9.063 0.337 1 1 1364 . 5 1 1 A 111 111 LEU HA H 138 5.250 4.895 0.355 1 1 1374 . 5 1 1 A 111 111 LEU C C 138 176.470 176.737 -0.267 1 1 1375 . 5 1 1 A 111 111 LEU CA C 138 52.230 53.797 -1.567 1 1 1376 . 5 1 1 A 111 111 LEU CB C 138 42.810 41.640 1.170 1 1 1380 . 5 1 1 A 111 111 LEU N N 138 121.800 121.918 -0.118 1 1 1381 . 5 1 1 A 112 112 ILE H H 139 9.080 9.113 -0.033 1 1 1382 . 5 1 1 A 112 112 ILE HA H 139 5.420 4.364 1.056 1 1 1392 . 5 1 1 A 112 112 ILE C C 139 175.710 175.518 0.192 1 1 1393 . 5 1 1 A 112 112 ILE CA C 139 59.170 63.025 -3.855 1 1 1394 . 5 1 1 A 112 112 ILE CB C 139 41.010 37.177 3.833 1 1 1398 . 5 1 1 A 112 112 ILE N N 139 120.350 120.503 -0.153 1 1 1399 . 5 1 1 A 113 113 ARG H H 140 8.550 8.835 -0.285 1 1 1400 . 5 1 1 A 113 113 ARG HA H 140 3.940 4.448 -0.508 1 1 1403 . 5 1 1 A 113 113 ARG C C 140 176.030 176.609 -0.579 1 1 1404 . 5 1 1 A 113 113 ARG CA C 140 56.180 55.201 0.979 1 1 1405 . 5 1 1 A 113 113 ARG CB C 140 30.770 28.569 2.201 1 1 1408 . 5 1 1 A 113 113 ARG N N 140 127.710 126.467 1.243 1 1 1409 . 5 1 1 A 114 114 GLY H H 141 8.530 8.653 -0.123 1 1 1410 . 5 1 1 A 114 114 GLY HA2 H 141 4.000 3.759 0.241 1 1 1411 . 5 1 1 A 114 114 GLY HA3 H 141 3.820 3.771 0.049 1 1 1412 . 5 1 1 A 114 114 GLY C C 141 172.650 175.758 -3.108 1 1 1413 . 5 1 1 A 114 114 GLY CA C 141 45.100 47.067 -1.967 1 1 1414 . 5 1 1 A 114 114 GLY N N 141 111.410 108.937 2.473 1 1 1 . 6 1 1 A 2 2 SER HA H 29 4.540 4.209 0.331 1 1 4 . 6 1 1 A 2 2 SER C C 29 174.370 175.252 -0.882 1 1 5 . 6 1 1 A 2 2 SER CA C 29 58.380 61.916 -3.536 1 1 6 . 6 1 1 A 2 2 SER CB C 29 63.670 63.071 0.599 1 1 7 . 6 1 1 A 3 3 SER H H 30 8.530 8.117 0.413 1 1 8 . 6 1 1 A 3 3 SER HA H 30 4.480 4.918 -0.438 1 1 11 . 6 1 1 A 3 3 SER C C 30 174.610 173.748 0.862 1 1 12 . 6 1 1 A 3 3 SER CA C 30 58.380 57.660 0.720 1 1 13 . 6 1 1 A 3 3 SER CB C 30 63.690 62.580 1.110 1 1 14 . 6 1 1 A 3 3 SER N N 30 117.760 112.811 4.949 1 1 15 . 6 1 1 A 4 4 ASN H H 31 8.600 8.628 -0.028 1 1 16 . 6 1 1 A 4 4 ASN HA H 31 4.710 4.984 -0.274 1 1 21 . 6 1 1 A 4 4 ASN C C 31 175.840 174.912 0.928 1 1 22 . 6 1 1 A 4 4 ASN CA C 31 53.880 54.743 -0.863 1 1 23 . 6 1 1 A 4 4 ASN CB C 31 38.520 40.672 -2.152 1 1 24 . 6 1 1 A 4 4 ASN N N 31 120.910 122.886 -1.976 1 1 26 . 6 1 1 A 5 5 SER H H 32 8.360 8.168 0.192 1 1 27 . 6 1 1 A 5 5 SER HA H 32 4.420 4.423 -0.003 1 1 30 . 6 1 1 A 5 5 SER C C 32 174.700 174.779 -0.079 1 1 31 . 6 1 1 A 5 5 SER CA C 32 59.310 59.785 -0.475 1 1 32 . 6 1 1 A 5 5 SER CB C 32 63.410 62.841 0.569 1 1 33 . 6 1 1 A 5 5 SER N N 32 115.920 114.091 1.829 1 1 34 . 6 1 1 A 6 6 GLU H H 33 8.370 8.848 -0.478 1 1 35 . 6 1 1 A 6 6 GLU HA H 33 4.530 3.868 0.662 1 1 40 . 6 1 1 A 6 6 GLU C C 33 176.390 175.505 0.885 1 1 41 . 6 1 1 A 6 6 GLU CA C 33 56.510 57.742 -1.232 1 1 42 . 6 1 1 A 6 6 GLU CB C 33 29.850 28.008 1.842 1 1 44 . 6 1 1 A 6 6 GLU N N 33 121.670 121.627 0.043 1 1 45 . 6 1 1 A 7 7 LYS H H 34 8.120 7.867 0.253 1 1 46 . 6 1 1 A 7 7 LYS HA H 34 4.370 4.022 0.348 1 1 55 . 6 1 1 A 7 7 LYS C C 34 176.060 175.193 0.867 1 1 56 . 6 1 1 A 7 7 LYS CA C 34 56.140 55.231 0.909 1 1 57 . 6 1 1 A 7 7 LYS CB C 34 33.200 31.914 1.286 1 1 61 . 6 1 1 A 7 7 LYS N N 34 121.020 119.543 1.477 1 1 62 . 6 1 1 A 8 8 GLU H H 35 8.550 8.314 0.236 1 1 63 . 6 1 1 A 8 8 GLU HA H 35 4.830 4.367 0.463 1 1 68 . 6 1 1 A 8 8 GLU C C 35 175.050 175.798 -0.748 1 1 69 . 6 1 1 A 8 8 GLU CA C 35 56.390 55.901 0.489 1 1 70 . 6 1 1 A 8 8 GLU CB C 35 31.340 29.786 1.554 1 1 72 . 6 1 1 A 8 8 GLU N N 35 122.450 124.743 -2.293 1 1 73 . 6 1 1 A 9 9 TRP H H 36 9.680 9.214 0.466 1 1 74 . 6 1 1 A 9 9 TRP HA H 36 4.860 5.199 -0.339 1 1 80 . 6 1 1 A 9 9 TRP C C 36 175.390 175.746 -0.356 1 1 81 . 6 1 1 A 9 9 TRP CA C 36 55.890 56.029 -0.139 1 1 82 . 6 1 1 A 9 9 TRP CB C 36 30.810 31.094 -0.284 1 1 85 . 6 1 1 A 9 9 TRP N N 36 122.800 125.882 -3.082 1 1 87 . 6 1 1 A 10 10 HIS H H 37 9.690 9.143 0.547 1 1 88 . 6 1 1 A 10 10 HIS HA H 37 4.990 4.963 0.027 1 1 93 . 6 1 1 A 10 10 HIS C C 37 174.840 174.861 -0.021 1 1 94 . 6 1 1 A 10 10 HIS CA C 37 54.720 55.533 -0.813 1 1 95 . 6 1 1 A 10 10 HIS CB C 37 29.840 29.656 0.184 1 1 98 . 6 1 1 A 10 10 HIS N N 37 120.400 122.626 -2.226 1 1 99 . 6 1 1 A 11 11 ILE H H 38 7.740 8.456 -0.716 1 1 100 . 6 1 1 A 11 11 ILE HA H 38 4.360 4.678 -0.318 1 1 110 . 6 1 1 A 11 11 ILE C C 38 175.030 175.655 -0.625 1 1 111 . 6 1 1 A 11 11 ILE CA C 38 62.110 62.358 -0.248 1 1 112 . 6 1 1 A 11 11 ILE CB C 38 37.590 38.048 -0.458 1 1 116 . 6 1 1 A 11 11 ILE N N 38 121.700 125.315 -3.615 1 1 117 . 6 1 1 A 12 12 VAL H H 39 9.370 8.507 0.863 1 1 118 . 6 1 1 A 12 12 VAL HA H 39 4.690 4.473 0.217 1 1 126 . 6 1 1 A 12 12 VAL CA C 39 58.500 58.587 -0.087 1 1 127 . 6 1 1 A 12 12 VAL CB C 39 34.970 34.705 0.265 1 1 130 . 6 1 1 A 12 12 VAL N N 39 130.310 127.569 2.741 1 1 131 . 6 1 1 A 13 13 PRO HA H 40 4.470 4.797 -0.327 1 1 138 . 6 1 1 A 13 13 PRO C C 40 175.070 176.259 -1.189 1 1 139 . 6 1 1 A 13 13 PRO CA C 40 63.130 62.100 1.030 1 1 140 . 6 1 1 A 13 13 PRO CB C 40 33.580 31.931 1.649 1 1 143 . 6 1 1 A 14 14 VAL H H 41 7.970 8.712 -0.742 1 1 144 . 6 1 1 A 14 14 VAL HA H 41 4.170 3.956 0.214 1 1 152 . 6 1 1 A 14 14 VAL C C 41 175.360 176.071 -0.711 1 1 153 . 6 1 1 A 14 14 VAL CA C 41 63.600 63.559 0.041 1 1 154 . 6 1 1 A 14 14 VAL CB C 41 34.050 32.702 1.348 1 1 157 . 6 1 1 A 14 14 VAL N N 41 119.000 119.264 -0.264 1 1 158 . 6 1 1 A 15 15 SER H H 42 8.040 7.327 0.713 1 1 159 . 6 1 1 A 15 15 SER HA H 42 4.530 4.474 0.056 1 1 162 . 6 1 1 A 15 15 SER C C 42 176.240 175.308 0.932 1 1 163 . 6 1 1 A 15 15 SER CA C 42 57.620 56.760 0.860 1 1 164 . 6 1 1 A 15 15 SER CB C 42 64.250 64.676 -0.426 1 1 165 . 6 1 1 A 15 15 SER N N 42 113.900 115.343 -1.443 1 1 166 . 6 1 1 A 16 16 LYS H H 43 8.690 8.829 -0.139 1 1 167 . 6 1 1 A 16 16 LYS HA H 43 2.830 3.941 -1.111 1 1 176 . 6 1 1 A 16 16 LYS C C 43 177.790 178.407 -0.617 1 1 177 . 6 1 1 A 16 16 LYS CA C 43 58.100 59.972 -1.872 1 1 178 . 6 1 1 A 16 16 LYS CB C 43 31.840 32.158 -0.318 1 1 182 . 6 1 1 A 16 16 LYS N N 43 124.940 127.325 -2.385 1 1 183 . 6 1 1 A 17 17 ASP H H 44 8.590 8.071 0.519 1 1 184 . 6 1 1 A 17 17 ASP HA H 44 4.100 4.389 -0.289 1 1 187 . 6 1 1 A 17 17 ASP C C 44 176.670 176.929 -0.259 1 1 188 . 6 1 1 A 17 17 ASP CA C 44 55.580 56.394 -0.814 1 1 189 . 6 1 1 A 17 17 ASP CB C 44 39.300 40.563 -1.263 1 1 190 . 6 1 1 A 17 17 ASP N N 44 118.140 119.158 -1.018 1 1 191 . 6 1 1 A 18 18 TYR H H 45 7.870 7.897 -0.027 1 1 192 . 6 1 1 A 18 18 TYR HA H 45 4.550 4.612 -0.062 1 1 199 . 6 1 1 A 18 18 TYR C C 45 174.860 176.577 -1.717 1 1 200 . 6 1 1 A 18 18 TYR CA C 45 58.510 57.805 0.705 1 1 201 . 6 1 1 A 18 18 TYR CB C 45 39.470 38.505 0.965 1 1 206 . 6 1 1 A 18 18 TYR N N 45 115.260 116.656 -1.396 1 1 207 . 6 1 1 A 19 19 PHE H H 46 7.430 7.975 -0.545 1 1 208 . 6 1 1 A 19 19 PHE HA H 46 4.360 4.425 -0.065 1 1 215 . 6 1 1 A 19 19 PHE C C 46 176.950 176.526 0.424 1 1 216 . 6 1 1 A 19 19 PHE CA C 46 59.340 60.795 -1.455 1 1 217 . 6 1 1 A 19 19 PHE CB C 46 37.870 38.053 -0.183 1 1 222 . 6 1 1 A 19 19 PHE N N 46 120.020 121.109 -1.089 1 1 223 . 6 1 1 A 20 20 SER H H 47 8.620 7.808 0.812 1 1 224 . 6 1 1 A 20 20 SER HA H 47 4.430 4.552 -0.122 1 1 227 . 6 1 1 A 20 20 SER C C 47 173.980 175.007 -1.027 1 1 228 . 6 1 1 A 20 20 SER CA C 47 58.660 58.609 0.051 1 1 229 . 6 1 1 A 20 20 SER CB C 47 62.850 63.963 -1.113 1 1 230 . 6 1 1 A 20 20 SER N N 47 111.500 112.125 -0.625 1 1 231 . 6 1 1 A 21 21 ILE H H 48 7.660 7.708 -0.048 1 1 232 . 6 1 1 A 21 21 ILE HA H 48 4.110 4.182 -0.072 1 1 242 . 6 1 1 A 21 21 ILE CA C 48 59.780 60.641 -0.861 1 1 243 . 6 1 1 A 21 21 ILE CB C 48 38.330 37.992 0.338 1 1 247 . 6 1 1 A 21 21 ILE N N 48 119.380 126.334 -6.954 1 1 248 . 6 1 1 A 22 22 PRO HA H 49 4.500 4.541 -0.041 1 1 255 . 6 1 1 A 22 22 PRO C C 49 176.110 177.571 -1.461 1 1 256 . 6 1 1 A 22 22 PRO CA C 49 62.880 62.730 0.150 1 1 257 . 6 1 1 A 22 22 PRO CB C 49 32.570 33.132 -0.562 1 1 260 . 6 1 1 A 23 23 ASN H H 50 8.630 8.867 -0.237 1 1 261 . 6 1 1 A 23 23 ASN HA H 50 4.800 4.559 0.241 1 1 266 . 6 1 1 A 23 23 ASN C C 50 176.580 175.076 1.504 1 1 267 . 6 1 1 A 23 23 ASN CA C 50 53.610 55.997 -2.387 1 1 268 . 6 1 1 A 23 23 ASN CB C 50 38.490 38.689 -0.199 1 1 269 . 6 1 1 A 23 23 ASN N N 50 117.590 118.799 -1.209 1 1 271 . 6 1 1 A 24 24 ASP H H 51 8.580 7.890 0.690 1 1 272 . 6 1 1 A 24 24 ASP HA H 51 4.760 5.023 -0.263 1 1 275 . 6 1 1 A 24 24 ASP C C 51 175.090 173.930 1.160 1 1 276 . 6 1 1 A 24 24 ASP CA C 51 52.500 54.309 -1.809 1 1 277 . 6 1 1 A 24 24 ASP CB C 51 39.840 42.672 -2.832 1 1 278 . 6 1 1 A 24 24 ASP N N 51 120.490 117.831 2.659 1 1 279 . 6 1 1 A 25 25 LEU H H 52 8.400 9.086 -0.686 1 1 280 . 6 1 1 A 25 25 LEU HA H 52 4.390 5.109 -0.719 1 1 290 . 6 1 1 A 25 25 LEU C C 52 176.340 175.131 1.209 1 1 291 . 6 1 1 A 25 25 LEU CA C 52 55.460 53.648 1.812 1 1 292 . 6 1 1 A 25 25 LEU CB C 52 43.270 43.373 -0.103 1 1 296 . 6 1 1 A 25 25 LEU N N 52 119.530 127.036 -7.506 1 1 297 . 6 1 1 A 26 26 LEU H H 53 8.840 9.333 -0.493 1 1 298 . 6 1 1 A 26 26 LEU HA H 53 5.140 4.933 0.207 1 1 308 . 6 1 1 A 26 26 LEU C C 53 174.620 175.159 -0.539 1 1 309 . 6 1 1 A 26 26 LEU CA C 53 52.840 53.004 -0.164 1 1 310 . 6 1 1 A 26 26 LEU CB C 53 44.070 42.779 1.291 1 1 314 . 6 1 1 A 26 26 LEU N N 53 126.610 123.834 2.776 1 1 315 . 6 1 1 A 27 27 TRP H H 54 9.230 9.388 -0.158 1 1 316 . 6 1 1 A 27 27 TRP HA H 54 5.570 5.203 0.367 1 1 325 . 6 1 1 A 27 27 TRP C C 54 175.740 174.819 0.921 1 1 326 . 6 1 1 A 27 27 TRP CA C 54 54.510 55.607 -1.097 1 1 327 . 6 1 1 A 27 27 TRP CB C 54 31.710 33.146 -1.436 1 1 333 . 6 1 1 A 27 27 TRP N N 54 122.650 128.239 -5.589 1 1 335 . 6 1 1 A 28 28 SER H H 55 9.240 8.655 0.585 1 1 336 . 6 1 1 A 28 28 SER HA H 55 5.490 5.137 0.353 1 1 339 . 6 1 1 A 28 28 SER C C 55 173.440 172.900 0.540 1 1 340 . 6 1 1 A 28 28 SER CA C 55 56.990 57.441 -0.451 1 1 341 . 6 1 1 A 28 28 SER CB C 55 66.150 65.747 0.403 1 1 342 . 6 1 1 A 28 28 SER N N 55 121.970 121.863 0.107 1 1 343 . 6 1 1 A 29 29 PHE H H 56 9.590 9.399 0.191 1 1 344 . 6 1 1 A 29 29 PHE HA H 56 5.150 4.854 0.296 1 1 352 . 6 1 1 A 29 29 PHE C C 56 175.810 175.503 0.307 1 1 353 . 6 1 1 A 29 29 PHE CA C 56 57.180 59.045 -1.865 1 1 354 . 6 1 1 A 29 29 PHE CB C 56 42.370 39.320 3.050 1 1 360 . 6 1 1 A 29 29 PHE N N 56 121.420 125.485 -4.065 1 1 361 . 6 1 1 A 30 30 ASN H H 57 9.400 9.315 0.085 1 1 362 . 6 1 1 A 30 30 ASN HA H 57 5.220 5.336 -0.116 1 1 367 . 6 1 1 A 30 30 ASN C C 57 176.540 176.282 0.258 1 1 368 . 6 1 1 A 30 30 ASN CA C 57 52.320 51.973 0.347 1 1 369 . 6 1 1 A 30 30 ASN CB C 57 38.520 38.089 0.431 1 1 370 . 6 1 1 A 30 30 ASN N N 57 120.660 123.427 -2.767 1 1 372 . 6 1 1 A 31 31 THR H H 58 9.180 8.239 0.941 1 1 373 . 6 1 1 A 31 31 THR HA H 58 4.800 4.563 0.237 1 1 378 . 6 1 1 A 31 31 THR C C 58 176.950 175.383 1.567 1 1 379 . 6 1 1 A 31 31 THR CA C 58 63.430 63.368 0.062 1 1 380 . 6 1 1 A 31 31 THR CB C 58 68.110 68.826 -0.716 1 1 382 . 6 1 1 A 31 31 THR N N 58 114.630 118.413 -3.783 1 1 383 . 6 1 1 A 32 32 THR H H 59 8.450 7.958 0.492 1 1 384 . 6 1 1 A 32 32 THR HA H 59 4.130 4.314 -0.184 1 1 389 . 6 1 1 A 32 32 THR C C 59 175.130 175.597 -0.467 1 1 390 . 6 1 1 A 32 32 THR CA C 59 65.550 64.554 0.996 1 1 391 . 6 1 1 A 32 32 THR CB C 59 68.200 69.535 -1.335 1 1 393 . 6 1 1 A 32 32 THR N N 59 120.020 116.389 3.631 1 1 394 . 6 1 1 A 33 33 ASN H H 60 7.500 7.342 0.158 1 1 395 . 6 1 1 A 33 33 ASN HA H 60 4.690 4.957 -0.267 1 1 400 . 6 1 1 A 33 33 ASN C C 60 174.230 174.974 -0.744 1 1 401 . 6 1 1 A 33 33 ASN CA C 60 51.650 52.712 -1.062 1 1 402 . 6 1 1 A 33 33 ASN CB C 60 37.870 38.565 -0.695 1 1 403 . 6 1 1 A 33 33 ASN N N 60 117.490 116.159 1.331 1 1 405 . 6 1 1 A 34 34 LYS H H 61 7.580 8.009 -0.429 1 1 406 . 6 1 1 A 34 34 LYS HA H 61 3.500 4.504 -1.004 1 1 415 . 6 1 1 A 34 34 LYS C C 61 172.880 175.349 -2.469 1 1 416 . 6 1 1 A 34 34 LYS CA C 61 57.160 57.065 0.095 1 1 417 . 6 1 1 A 34 34 LYS CB C 61 28.540 30.152 -1.612 1 1 421 . 6 1 1 A 34 34 LYS N N 61 118.030 118.156 -0.126 1 1 422 . 6 1 1 A 35 35 SER H H 62 8.560 7.959 0.601 1 1 423 . 6 1 1 A 35 35 SER HA H 62 5.670 5.486 0.184 1 1 426 . 6 1 1 A 35 35 SER C C 62 173.510 172.915 0.595 1 1 427 . 6 1 1 A 35 35 SER CA C 62 56.110 56.140 -0.030 1 1 428 . 6 1 1 A 35 35 SER CB C 62 67.800 66.211 1.589 1 1 429 . 6 1 1 A 35 35 SER N N 62 109.720 112.622 -2.902 1 1 430 . 6 1 1 A 36 36 ILE H H 63 8.750 9.180 -0.430 1 1 431 . 6 1 1 A 36 36 ILE HA H 63 4.940 4.422 0.518 1 1 441 . 6 1 1 A 36 36 ILE C C 63 174.660 175.340 -0.680 1 1 442 . 6 1 1 A 36 36 ILE CA C 63 58.180 60.547 -2.367 1 1 443 . 6 1 1 A 36 36 ILE CB C 63 40.660 37.710 2.950 1 1 447 . 6 1 1 A 36 36 ILE N N 63 117.490 124.391 -6.901 1 1 448 . 6 1 1 A 37 37 ASN H H 64 8.400 9.076 -0.676 1 1 449 . 6 1 1 A 37 37 ASN HA H 64 5.650 5.615 0.035 1 1 454 . 6 1 1 A 37 37 ASN C C 64 173.490 174.150 -0.660 1 1 455 . 6 1 1 A 37 37 ASN CA C 64 51.670 52.048 -0.378 1 1 456 . 6 1 1 A 37 37 ASN CB C 64 41.900 40.352 1.548 1 1 457 . 6 1 1 A 37 37 ASN N N 64 122.180 124.569 -2.389 1 1 459 . 6 1 1 A 38 38 VAL H H 65 8.900 9.376 -0.476 1 1 460 . 6 1 1 A 38 38 VAL HA H 65 5.540 4.720 0.820 1 1 468 . 6 1 1 A 38 38 VAL C C 65 174.590 174.993 -0.403 1 1 469 . 6 1 1 A 38 38 VAL CA C 65 60.060 61.058 -0.998 1 1 470 . 6 1 1 A 38 38 VAL CB C 65 34.870 32.761 2.109 1 1 473 . 6 1 1 A 38 38 VAL N N 65 122.060 125.414 -3.354 1 1 474 . 6 1 1 A 39 39 TYR H H 66 8.910 8.898 0.012 1 1 475 . 6 1 1 A 39 39 TYR HA H 66 5.490 6.007 -0.517 1 1 482 . 6 1 1 A 39 39 TYR C C 66 172.810 173.373 -0.563 1 1 483 . 6 1 1 A 39 39 TYR CA C 66 56.220 55.707 0.513 1 1 484 . 6 1 1 A 39 39 TYR CB C 66 40.620 42.479 -1.859 1 1 489 . 6 1 1 A 39 39 TYR N N 66 123.530 124.219 -0.689 1 1 490 . 6 1 1 A 40 40 SER H H 67 8.970 9.258 -0.288 1 1 491 . 6 1 1 A 40 40 SER HA H 67 4.780 5.042 -0.262 1 1 495 . 6 1 1 A 40 40 SER C C 67 174.360 175.182 -0.822 1 1 496 . 6 1 1 A 40 40 SER CA C 67 56.580 56.267 0.313 1 1 497 . 6 1 1 A 40 40 SER CB C 67 66.290 66.437 -0.147 1 1 498 . 6 1 1 A 40 40 SER N N 67 115.210 115.114 0.096 1 1 499 . 6 1 1 A 41 41 LYS H H 68 9.020 8.590 0.430 1 1 500 . 6 1 1 A 41 41 LYS HA H 68 4.210 4.052 0.158 1 1 509 . 6 1 1 A 41 41 LYS C C 68 177.730 177.059 0.671 1 1 510 . 6 1 1 A 41 41 LYS CA C 68 59.240 58.422 0.818 1 1 511 . 6 1 1 A 41 41 LYS CB C 68 31.660 31.692 -0.032 1 1 515 . 6 1 1 A 41 41 LYS N N 68 118.790 117.794 0.996 1 1 516 . 6 1 1 A 42 42 CYS H H 69 8.090 7.720 0.370 1 1 517 . 6 1 1 A 42 42 CYS HA H 69 4.750 4.696 0.054 1 1 520 . 6 1 1 A 42 42 CYS C C 69 173.260 174.076 -0.816 1 1 521 . 6 1 1 A 42 42 CYS CA C 69 52.780 56.931 -4.151 1 1 522 . 6 1 1 A 42 42 CYS CB C 69 39.470 44.939 -5.469 1 1 523 . 6 1 1 A 42 42 CYS N N 69 113.650 115.773 -2.123 1 1 524 . 6 1 1 A 43 43 ILE H H 70 7.550 7.936 -0.386 1 1 525 . 6 1 1 A 43 43 ILE HA H 70 5.210 4.875 0.335 1 1 535 . 6 1 1 A 43 43 ILE C C 70 171.870 174.935 -3.065 1 1 536 . 6 1 1 A 43 43 ILE CA C 70 59.800 61.929 -2.129 1 1 537 . 6 1 1 A 43 43 ILE CB C 70 42.550 39.156 3.394 1 1 541 . 6 1 1 A 43 43 ILE N N 70 118.580 121.817 -3.237 1 1 542 . 6 1 1 A 44 44 SER H H 71 8.190 9.174 -0.984 1 1 543 . 6 1 1 A 44 44 SER HA H 71 5.190 5.310 -0.120 1 1 546 . 6 1 1 A 44 44 SER C C 71 173.790 173.591 0.199 1 1 547 . 6 1 1 A 44 44 SER CA C 71 56.980 57.795 -0.815 1 1 548 . 6 1 1 A 44 44 SER CB C 71 64.910 65.550 -0.640 1 1 549 . 6 1 1 A 44 44 SER N N 71 117.640 124.555 -6.915 1 1 550 . 6 1 1 A 45 45 GLY H H 72 9.720 9.552 0.168 1 1 551 . 6 1 1 A 45 45 GLY HA2 H 72 5.280 4.367 0.913 1 1 552 . 6 1 1 A 45 45 GLY HA3 H 72 3.460 4.402 -0.942 1 1 553 . 6 1 1 A 45 45 GLY C C 72 171.300 172.676 -1.376 1 1 554 . 6 1 1 A 45 45 GLY CA C 72 45.230 44.535 0.695 1 1 555 . 6 1 1 A 45 45 GLY N N 72 114.160 113.536 0.624 1 1 556 . 6 1 1 A 46 46 LYS H H 73 8.340 8.565 -0.225 1 1 557 . 6 1 1 A 46 46 LYS HA H 73 5.530 5.695 -0.165 1 1 566 . 6 1 1 A 46 46 LYS C C 73 174.510 175.407 -0.897 1 1 567 . 6 1 1 A 46 46 LYS CA C 73 54.930 54.943 -0.013 1 1 568 . 6 1 1 A 46 46 LYS CB C 73 36.420 34.523 1.897 1 1 572 . 6 1 1 A 46 46 LYS N N 73 123.520 120.701 2.819 1 1 573 . 6 1 1 A 47 47 ALA H H 74 8.440 8.255 0.185 1 1 574 . 6 1 1 A 47 47 ALA HA H 74 4.400 4.968 -0.568 1 1 578 . 6 1 1 A 47 47 ALA C C 74 175.850 175.537 0.313 1 1 579 . 6 1 1 A 47 47 ALA CA C 74 49.860 51.036 -1.176 1 1 580 . 6 1 1 A 47 47 ALA CB C 74 20.750 22.817 -2.067 1 1 581 . 6 1 1 A 47 47 ALA N N 74 125.710 120.761 4.949 1 1 582 . 6 1 1 A 48 48 VAL H H 75 7.840 8.004 -0.164 1 1 583 . 6 1 1 A 48 48 VAL HA H 75 4.640 4.440 0.200 1 1 591 . 6 1 1 A 48 48 VAL C C 75 176.660 174.784 1.876 1 1 592 . 6 1 1 A 48 48 VAL CA C 75 61.160 61.143 0.017 1 1 593 . 6 1 1 A 48 48 VAL CB C 75 32.180 33.437 -1.257 1 1 596 . 6 1 1 A 48 48 VAL N N 75 120.660 119.189 1.471 1 1 597 . 6 1 1 A 49 49 TYR H H 76 8.340 8.409 -0.069 1 1 598 . 6 1 1 A 49 49 TYR HA H 76 5.230 6.001 -0.771 1 1 605 . 6 1 1 A 49 49 TYR C C 76 173.480 173.876 -0.396 1 1 606 . 6 1 1 A 49 49 TYR CA C 76 54.940 54.897 0.043 1 1 607 . 6 1 1 A 49 49 TYR CB C 76 42.030 42.097 -0.067 1 1 612 . 6 1 1 A 49 49 TYR N N 76 126.510 124.670 1.840 1 1 613 . 6 1 1 A 50 50 SER H H 77 8.360 8.714 -0.354 1 1 614 . 6 1 1 A 50 50 SER HA H 77 4.560 5.267 -0.707 1 1 617 . 6 1 1 A 50 50 SER C C 77 171.180 172.959 -1.779 1 1 618 . 6 1 1 A 50 50 SER CA C 77 56.890 57.206 -0.316 1 1 619 . 6 1 1 A 50 50 SER CB C 77 65.650 66.587 -0.937 1 1 620 . 6 1 1 A 50 50 SER N N 77 111.300 116.111 -4.811 1 1 621 . 6 1 1 A 51 51 PHE H H 78 8.660 8.857 -0.197 1 1 622 . 6 1 1 A 51 51 PHE HA H 78 5.860 5.665 0.195 1 1 630 . 6 1 1 A 51 51 PHE C C 78 176.800 174.382 2.418 1 1 631 . 6 1 1 A 51 51 PHE CA C 78 56.090 56.353 -0.263 1 1 632 . 6 1 1 A 51 51 PHE CB C 78 42.280 42.562 -0.282 1 1 638 . 6 1 1 A 51 51 PHE N N 78 116.710 119.820 -3.110 1 1 639 . 6 1 1 A 52 52 ASN H H 79 9.190 9.194 -0.004 1 1 640 . 6 1 1 A 52 52 ASN HA H 79 4.900 5.221 -0.321 1 1 645 . 6 1 1 A 52 52 ASN C C 79 174.870 174.738 0.132 1 1 646 . 6 1 1 A 52 52 ASN CA C 79 53.300 52.289 1.011 1 1 647 . 6 1 1 A 52 52 ASN CB C 79 41.350 40.658 0.692 1 1 648 . 6 1 1 A 52 52 ASN N N 79 119.620 120.960 -1.340 1 1 650 . 6 1 1 A 53 53 ALA H H 80 9.650 9.241 0.409 1 1 651 . 6 1 1 A 53 53 ALA HA H 80 4.110 4.086 0.024 1 1 655 . 6 1 1 A 53 53 ALA C C 80 176.800 177.016 -0.216 1 1 656 . 6 1 1 A 53 53 ALA CA C 80 52.860 53.384 -0.524 1 1 657 . 6 1 1 A 53 53 ALA CB C 80 16.760 17.900 -1.140 1 1 658 . 6 1 1 A 53 53 ALA N N 80 131.210 129.998 1.212 1 1 659 . 6 1 1 A 54 54 GLY H H 81 8.850 8.500 0.350 1 1 660 . 6 1 1 A 54 54 GLY HA2 H 81 4.320 3.896 0.424 1 1 661 . 6 1 1 A 54 54 GLY HA3 H 81 4.220 3.915 0.305 1 1 662 . 6 1 1 A 54 54 GLY C C 81 173.950 174.425 -0.475 1 1 663 . 6 1 1 A 54 54 GLY CA C 81 45.320 45.220 0.100 1 1 664 . 6 1 1 A 54 54 GLY N N 81 104.570 102.795 1.775 1 1 665 . 6 1 1 A 55 55 LYS H H 82 8.030 7.951 0.079 1 1 666 . 6 1 1 A 55 55 LYS HA H 82 4.910 4.425 0.485 1 1 675 . 6 1 1 A 55 55 LYS C C 82 174.120 175.958 -1.838 1 1 676 . 6 1 1 A 55 55 LYS CA C 82 54.350 56.426 -2.076 1 1 677 . 6 1 1 A 55 55 LYS CB C 82 34.010 32.806 1.204 1 1 681 . 6 1 1 A 55 55 LYS N N 82 120.230 120.521 -0.291 1 1 682 . 6 1 1 A 56 56 PHE H H 83 9.390 9.402 -0.012 1 1 683 . 6 1 1 A 56 56 PHE HA H 83 4.250 4.505 -0.255 1 1 691 . 6 1 1 A 56 56 PHE C C 83 173.870 174.228 -0.358 1 1 692 . 6 1 1 A 56 56 PHE CA C 83 56.630 56.956 -0.326 1 1 693 . 6 1 1 A 56 56 PHE CB C 83 40.940 40.487 0.453 1 1 699 . 6 1 1 A 56 56 PHE N N 83 125.150 125.746 -0.596 1 1 700 . 6 1 1 A 57 57 MET H H 84 8.270 8.671 -0.401 1 1 701 . 6 1 1 A 57 57 MET HA H 84 5.140 5.919 -0.779 1 1 709 . 6 1 1 A 57 57 MET C C 84 174.090 174.719 -0.629 1 1 710 . 6 1 1 A 57 57 MET CA C 84 53.600 53.991 -0.391 1 1 711 . 6 1 1 A 57 57 MET CB C 84 36.190 36.930 -0.740 1 1 714 . 6 1 1 A 57 57 MET N N 84 124.270 125.240 -0.970 1 1 715 . 6 1 1 A 58 58 GLY H H 85 7.420 8.380 -0.960 1 1 716 . 6 1 1 A 58 58 GLY HA2 H 85 3.900 3.840 0.060 1 1 717 . 6 1 1 A 58 58 GLY HA3 H 85 2.790 3.984 -1.194 1 1 718 . 6 1 1 A 58 58 GLY C C 85 169.900 171.792 -1.892 1 1 719 . 6 1 1 A 58 58 GLY CA C 85 45.620 44.710 0.910 1 1 720 . 6 1 1 A 58 58 GLY N N 85 103.440 108.573 -5.133 1 1 721 . 6 1 1 A 59 59 ASN H H 86 8.410 8.493 -0.083 1 1 722 . 6 1 1 A 59 59 ASN HA H 86 4.890 4.920 -0.030 1 1 727 . 6 1 1 A 59 59 ASN C C 86 174.650 174.684 -0.034 1 1 728 . 6 1 1 A 59 59 ASN CA C 86 51.110 52.738 -1.628 1 1 729 . 6 1 1 A 59 59 ASN CB C 86 38.140 39.482 -1.342 1 1 730 . 6 1 1 A 59 59 ASN N N 86 122.270 122.264 0.006 1 1 732 . 6 1 1 A 60 60 PHE H H 87 8.870 8.941 -0.071 1 1 733 . 6 1 1 A 60 60 PHE HA H 87 4.120 5.098 -0.978 1 1 741 . 6 1 1 A 60 60 PHE C C 87 175.620 174.798 0.822 1 1 742 . 6 1 1 A 60 60 PHE CA C 87 58.850 57.024 1.826 1 1 743 . 6 1 1 A 60 60 PHE CB C 87 39.910 40.811 -0.901 1 1 749 . 6 1 1 A 60 60 PHE N N 87 123.420 125.955 -2.535 1 1 750 . 6 1 1 A 61 61 ASN H H 88 8.610 9.494 -0.884 1 1 751 . 6 1 1 A 61 61 ASN HA H 88 4.900 5.174 -0.274 1 1 756 . 6 1 1 A 61 61 ASN C C 88 175.090 173.619 1.471 1 1 757 . 6 1 1 A 61 61 ASN CA C 88 52.690 51.965 0.725 1 1 758 . 6 1 1 A 61 61 ASN CB C 88 39.830 39.278 0.552 1 1 759 . 6 1 1 A 61 61 ASN N N 88 121.520 120.312 1.208 1 1 761 . 6 1 1 A 62 62 VAL H H 89 8.890 8.711 0.179 1 1 762 . 6 1 1 A 62 62 VAL HA H 89 4.820 4.793 0.027 1 1 770 . 6 1 1 A 62 62 VAL C C 89 174.650 175.468 -0.818 1 1 771 . 6 1 1 A 62 62 VAL CA C 89 60.870 61.309 -0.439 1 1 772 . 6 1 1 A 62 62 VAL CB C 89 34.690 33.672 1.018 1 1 775 . 6 1 1 A 62 62 VAL N N 89 123.750 124.998 -1.248 1 1 776 . 6 1 1 A 63 63 LYS H H 90 8.750 9.414 -0.664 1 1 777 . 6 1 1 A 63 63 LYS HA H 90 4.670 4.904 -0.234 1 1 786 . 6 1 1 A 63 63 LYS C C 90 174.990 175.309 -0.319 1 1 787 . 6 1 1 A 63 63 LYS CA C 90 55.010 55.557 -0.547 1 1 788 . 6 1 1 A 63 63 LYS CB C 90 34.030 33.222 0.808 1 1 792 . 6 1 1 A 63 63 LYS N N 90 126.210 127.513 -1.303 1 1 793 . 6 1 1 A 64 64 GLU H H 91 9.170 8.709 0.461 1 1 794 . 6 1 1 A 64 64 GLU HA H 91 5.020 5.003 0.017 1 1 799 . 6 1 1 A 64 64 GLU C C 91 175.680 174.800 0.880 1 1 800 . 6 1 1 A 64 64 GLU CA C 91 54.400 55.470 -1.070 1 1 801 . 6 1 1 A 64 64 GLU CB C 91 32.690 34.084 -1.394 1 1 803 . 6 1 1 A 64 64 GLU N N 91 128.500 121.604 6.896 1 1 804 . 6 1 1 A 65 65 VAL H H 92 8.330 9.189 -0.859 1 1 805 . 6 1 1 A 65 65 VAL HA H 92 3.880 5.075 -1.195 1 1 813 . 6 1 1 A 65 65 VAL C C 92 175.940 174.570 1.370 1 1 814 . 6 1 1 A 65 65 VAL CA C 92 62.290 59.626 2.664 1 1 815 . 6 1 1 A 65 65 VAL CB C 92 32.080 35.107 -3.027 1 1 818 . 6 1 1 A 65 65 VAL N N 92 126.870 119.661 7.209 1 1 819 . 6 1 1 A 66 66 ASP H H 93 8.810 8.776 0.034 1 1 820 . 6 1 1 A 66 66 ASP HA H 93 4.440 5.316 -0.876 1 1 823 . 6 1 1 A 66 66 ASP C C 93 177.330 176.740 0.590 1 1 824 . 6 1 1 A 66 66 ASP CA C 93 55.950 52.866 3.084 1 1 825 . 6 1 1 A 66 66 ASP CB C 93 40.760 43.368 -2.608 1 1 826 . 6 1 1 A 66 66 ASP N N 93 130.720 121.456 9.264 1 1 827 . 6 1 1 A 67 67 GLY H H 94 8.910 8.480 0.430 1 1 828 . 6 1 1 A 67 67 GLY HA2 H 94 4.020 3.914 0.106 1 1 829 . 6 1 1 A 67 67 GLY HA3 H 94 3.820 3.925 -0.105 1 1 830 . 6 1 1 A 67 67 GLY C C 94 173.530 174.780 -1.250 1 1 831 . 6 1 1 A 67 67 GLY CA C 94 45.830 45.067 0.763 1 1 832 . 6 1 1 A 67 67 GLY N N 94 112.760 110.332 2.428 1 1 833 . 6 1 1 A 68 68 CYS H H 95 7.540 7.981 -0.441 1 1 834 . 6 1 1 A 68 68 CYS HA H 95 4.260 4.183 0.077 1 1 837 . 6 1 1 A 68 68 CYS C C 95 175.640 175.113 0.527 1 1 838 . 6 1 1 A 68 68 CYS CA C 95 58.280 59.075 -0.795 1 1 839 . 6 1 1 A 68 68 CYS CB C 95 38.240 42.082 -3.842 1 1 840 . 6 1 1 A 68 68 CYS N N 95 119.700 119.749 -0.049 1 1 841 . 6 1 1 A 69 69 PHE H H 96 8.850 7.688 1.162 1 1 842 . 6 1 1 A 69 69 PHE HA H 96 5.010 4.635 0.375 1 1 850 . 6 1 1 A 69 69 PHE C C 96 177.330 175.325 2.005 1 1 851 . 6 1 1 A 69 69 PHE CA C 96 56.460 57.563 -1.103 1 1 852 . 6 1 1 A 69 69 PHE CB C 96 40.020 38.896 1.124 1 1 858 . 6 1 1 A 69 69 PHE N N 96 117.790 117.407 0.383 1 1 859 . 6 1 1 A 70 70 MET H H 97 8.710 8.273 0.437 1 1 860 . 6 1 1 A 70 70 MET HA H 97 4.700 4.169 0.531 1 1 868 . 6 1 1 A 70 70 MET C C 97 177.650 176.035 1.615 1 1 869 . 6 1 1 A 70 70 MET CA C 97 54.570 57.611 -3.041 1 1 870 . 6 1 1 A 70 70 MET CB C 97 33.990 31.426 2.564 1 1 873 . 6 1 1 A 70 70 MET N N 97 119.890 116.334 3.556 1 1 874 . 6 1 1 A 71 71 ASP H H 98 8.980 8.652 0.328 1 1 875 . 6 1 1 A 71 71 ASP HA H 98 4.280 4.882 -0.602 1 1 878 . 6 1 1 A 71 71 ASP C C 98 177.920 177.236 0.684 1 1 879 . 6 1 1 A 71 71 ASP CA C 98 58.380 55.380 3.000 1 1 880 . 6 1 1 A 71 71 ASP CB C 98 40.100 43.040 -2.940 1 1 881 . 6 1 1 A 71 71 ASP N N 98 123.440 124.872 -1.432 1 1 882 . 6 1 1 A 72 72 ALA H H 99 8.950 8.061 0.889 1 1 883 . 6 1 1 A 72 72 ALA HA H 99 4.030 4.137 -0.107 1 1 887 . 6 1 1 A 72 72 ALA C C 99 180.740 179.397 1.343 1 1 888 . 6 1 1 A 72 72 ALA CA C 99 55.020 54.226 0.794 1 1 889 . 6 1 1 A 72 72 ALA CB C 99 18.280 18.691 -0.411 1 1 890 . 6 1 1 A 72 72 ALA N N 99 119.200 122.495 -3.295 1 1 891 . 6 1 1 A 73 73 GLN H H 100 7.120 7.772 -0.652 1 1 892 . 6 1 1 A 73 73 GLN HA H 100 4.020 4.481 -0.461 1 1 899 . 6 1 1 A 73 73 GLN C C 100 176.880 178.148 -1.268 1 1 900 . 6 1 1 A 73 73 GLN CA C 100 57.720 58.699 -0.979 1 1 901 . 6 1 1 A 73 73 GLN CB C 100 28.940 28.327 0.613 1 1 903 . 6 1 1 A 73 73 GLN N N 100 115.380 117.945 -2.565 1 1 905 . 6 1 1 A 74 74 LYS H H 101 7.760 7.964 -0.204 1 1 906 . 6 1 1 A 74 74 LYS HA H 101 3.510 3.943 -0.433 1 1 915 . 6 1 1 A 74 74 LYS C C 101 177.610 178.591 -0.981 1 1 916 . 6 1 1 A 74 74 LYS CA C 101 58.500 59.264 -0.764 1 1 917 . 6 1 1 A 74 74 LYS CB C 101 31.790 32.275 -0.485 1 1 921 . 6 1 1 A 74 74 LYS N N 101 119.560 121.279 -1.719 1 1 922 . 6 1 1 A 75 75 ILE H H 102 7.760 8.086 -0.326 1 1 923 . 6 1 1 A 75 75 ILE HA H 102 3.750 3.630 0.120 1 1 933 . 6 1 1 A 75 75 ILE C C 102 178.530 177.766 0.764 1 1 934 . 6 1 1 A 75 75 ILE CA C 102 64.200 65.310 -1.110 1 1 935 . 6 1 1 A 75 75 ILE CB C 102 38.170 37.703 0.467 1 1 939 . 6 1 1 A 75 75 ILE N N 102 117.490 119.661 -2.171 1 1 940 . 6 1 1 A 76 76 ALA H H 103 7.090 8.522 -1.432 1 1 941 . 6 1 1 A 76 76 ALA HA H 103 3.990 3.828 0.162 1 1 945 . 6 1 1 A 76 76 ALA C C 103 178.650 180.302 -1.652 1 1 946 . 6 1 1 A 76 76 ALA CA C 103 55.020 55.222 -0.202 1 1 947 . 6 1 1 A 76 76 ALA CB C 103 18.570 18.276 0.294 1 1 948 . 6 1 1 A 76 76 ALA N N 103 121.190 121.856 -0.666 1 1 949 . 6 1 1 A 77 77 ILE H H 104 8.150 7.620 0.530 1 1 950 . 6 1 1 A 77 77 ILE HA H 104 3.420 3.475 -0.055 1 1 960 . 6 1 1 A 77 77 ILE C C 104 176.670 177.258 -0.588 1 1 961 . 6 1 1 A 77 77 ILE CA C 104 63.130 64.637 -1.507 1 1 962 . 6 1 1 A 77 77 ILE CB C 104 36.680 36.329 0.351 1 1 966 . 6 1 1 A 77 77 ILE N N 104 119.240 118.387 0.853 1 1 967 . 6 1 1 A 78 78 ASP H H 105 8.290 8.714 -0.424 1 1 968 . 6 1 1 A 78 78 ASP HA H 105 4.440 4.204 0.236 1 1 971 . 6 1 1 A 78 78 ASP C C 105 180.350 178.514 1.836 1 1 972 . 6 1 1 A 78 78 ASP CA C 105 57.440 57.977 -0.537 1 1 973 . 6 1 1 A 78 78 ASP CB C 105 39.430 42.146 -2.716 1 1 974 . 6 1 1 A 78 78 ASP N N 105 121.080 121.665 -0.585 1 1 975 . 6 1 1 A 79 79 LYS H H 106 7.960 8.035 -0.075 1 1 976 . 6 1 1 A 79 79 LYS HA H 106 4.010 3.984 0.026 1 1 985 . 6 1 1 A 79 79 LYS C C 106 178.580 178.916 -0.336 1 1 986 . 6 1 1 A 79 79 LYS CA C 106 59.780 59.221 0.559 1 1 987 . 6 1 1 A 79 79 LYS CB C 106 31.800 32.226 -0.426 1 1 991 . 6 1 1 A 79 79 LYS N N 106 121.340 118.556 2.784 1 1 992 . 6 1 1 A 80 80 LEU H H 107 8.230 8.165 0.065 1 1 993 . 6 1 1 A 80 80 LEU HA H 107 3.990 4.175 -0.185 1 1 1003 . 6 1 1 A 80 80 LEU C C 107 178.230 178.510 -0.280 1 1 1004 . 6 1 1 A 80 80 LEU CA C 107 58.570 58.173 0.397 1 1 1005 . 6 1 1 A 80 80 LEU CB C 107 41.110 41.372 -0.262 1 1 1009 . 6 1 1 A 80 80 LEU N N 107 123.530 121.042 2.488 1 1 1010 . 6 1 1 A 81 81 PHE H H 108 8.050 8.575 -0.525 1 1 1011 . 6 1 1 A 81 81 PHE HA H 108 4.350 3.995 0.355 1 1 1019 . 6 1 1 A 81 81 PHE C C 108 179.570 177.898 1.672 1 1 1020 . 6 1 1 A 81 81 PHE CA C 108 61.070 60.778 0.292 1 1 1021 . 6 1 1 A 81 81 PHE CB C 108 37.010 38.040 -1.030 1 1 1027 . 6 1 1 A 81 81 PHE N N 108 116.720 117.882 -1.162 1 1 1028 . 6 1 1 A 82 82 SER H H 109 8.410 8.182 0.228 1 1 1029 . 6 1 1 A 82 82 SER HA H 109 4.360 4.280 0.080 1 1 1032 . 6 1 1 A 82 82 SER C C 109 176.200 177.423 -1.223 1 1 1033 . 6 1 1 A 82 82 SER CA C 109 61.830 61.382 0.448 1 1 1034 . 6 1 1 A 82 82 SER CB C 109 62.570 63.172 -0.602 1 1 1035 . 6 1 1 A 82 82 SER N N 109 118.120 115.718 2.402 1 1 1036 . 6 1 1 A 83 83 MET H H 110 8.420 8.230 0.190 1 1 1037 . 6 1 1 A 83 83 MET HA H 110 4.210 4.153 0.057 1 1 1043 . 6 1 1 A 83 83 MET C C 110 178.260 178.804 -0.544 1 1 1044 . 6 1 1 A 83 83 MET CA C 110 59.170 59.005 0.165 1 1 1045 . 6 1 1 A 83 83 MET CB C 110 31.240 32.718 -1.478 1 1 1047 . 6 1 1 A 83 83 MET N N 110 123.040 119.716 3.324 1 1 1048 . 6 1 1 A 84 84 LEU H H 111 8.080 8.156 -0.076 1 1 1049 . 6 1 1 A 84 84 LEU HA H 111 4.140 4.050 0.090 1 1 1059 . 6 1 1 A 84 84 LEU C C 111 178.030 178.834 -0.804 1 1 1060 . 6 1 1 A 84 84 LEU CA C 111 57.390 58.215 -0.825 1 1 1061 . 6 1 1 A 84 84 LEU CB C 111 41.430 41.646 -0.216 1 1 1065 . 6 1 1 A 84 84 LEU N N 111 117.910 119.854 -1.944 1 1 1066 . 6 1 1 A 85 85 LYS H H 112 7.640 7.667 -0.027 1 1 1067 . 6 1 1 A 85 85 LYS HA H 112 4.110 4.176 -0.066 1 1 1076 . 6 1 1 A 85 85 LYS C C 112 177.650 177.687 -0.037 1 1 1077 . 6 1 1 A 85 85 LYS CA C 112 58.750 59.086 -0.336 1 1 1078 . 6 1 1 A 85 85 LYS CB C 112 32.240 32.402 -0.162 1 1 1082 . 6 1 1 A 85 85 LYS N N 112 119.340 117.633 1.707 1 1 1083 . 6 1 1 A 86 86 ASP H H 113 7.350 7.731 -0.381 1 1 1084 . 6 1 1 A 86 86 ASP HA H 113 4.570 4.710 -0.140 1 1 1087 . 6 1 1 A 86 86 ASP C C 113 176.950 176.437 0.513 1 1 1088 . 6 1 1 A 86 86 ASP CA C 113 55.770 54.183 1.587 1 1 1089 . 6 1 1 A 86 86 ASP CB C 113 42.420 41.436 0.984 1 1 1090 . 6 1 1 A 86 86 ASP N N 113 117.210 117.522 -0.312 1 1 1091 . 6 1 1 A 87 87 GLY H H 114 7.760 7.939 -0.179 1 1 1092 . 6 1 1 A 87 87 GLY HA2 H 114 4.380 4.058 0.322 1 1 1093 . 6 1 1 A 87 87 GLY HA3 H 114 4.380 4.081 0.299 1 1 1094 . 6 1 1 A 87 87 GLY C C 114 173.000 174.045 -1.045 1 1 1095 . 6 1 1 A 87 87 GLY CA C 114 44.490 45.526 -1.036 1 1 1096 . 6 1 1 A 87 87 GLY N N 114 107.740 107.115 0.625 1 1 1097 . 6 1 1 A 88 88 VAL H H 115 9.350 8.561 0.789 1 1 1098 . 6 1 1 A 88 88 VAL HA H 115 4.960 4.646 0.314 1 1 1106 . 6 1 1 A 88 88 VAL C C 115 173.100 174.599 -1.499 1 1 1107 . 6 1 1 A 88 88 VAL CA C 115 58.650 62.220 -3.570 1 1 1108 . 6 1 1 A 88 88 VAL CB C 115 35.910 33.652 2.258 1 1 1111 . 6 1 1 A 88 88 VAL N N 115 118.050 123.438 -5.388 1 1 1112 . 6 1 1 A 89 89 VAL H H 116 9.000 9.482 -0.482 1 1 1113 . 6 1 1 A 89 89 VAL HA H 116 4.550 4.953 -0.403 1 1 1121 . 6 1 1 A 89 89 VAL C C 116 174.640 174.623 0.017 1 1 1122 . 6 1 1 A 89 89 VAL CA C 116 61.360 59.861 1.499 1 1 1123 . 6 1 1 A 89 89 VAL CB C 116 33.760 34.215 -0.455 1 1 1126 . 6 1 1 A 89 89 VAL N N 116 121.030 127.459 -6.429 1 1 1127 . 6 1 1 A 90 90 LEU H H 117 8.950 8.758 0.192 1 1 1128 . 6 1 1 A 90 90 LEU HA H 117 5.160 5.456 -0.296 1 1 1138 . 6 1 1 A 90 90 LEU C C 117 176.150 176.616 -0.466 1 1 1139 . 6 1 1 A 90 90 LEU CA C 117 52.230 54.358 -2.128 1 1 1140 . 6 1 1 A 90 90 LEU CB C 117 44.280 41.919 2.361 1 1 1144 . 6 1 1 A 90 90 LEU N N 117 125.420 129.487 -4.067 1 1 1145 . 6 1 1 A 91 91 LYS H H 118 8.280 8.356 -0.076 1 1 1146 . 6 1 1 A 91 91 LYS HA H 118 4.900 4.544 0.356 1 1 1155 . 6 1 1 A 91 91 LYS C C 118 175.300 174.978 0.322 1 1 1156 . 6 1 1 A 91 91 LYS CA C 118 53.810 55.616 -1.806 1 1 1157 . 6 1 1 A 91 91 LYS CB C 118 36.840 36.657 0.183 1 1 1161 . 6 1 1 A 91 91 LYS N N 118 119.720 122.551 -2.831 1 1 1162 . 6 1 1 A 92 92 GLY H H 119 9.030 8.287 0.743 1 1 1163 . 6 1 1 A 92 92 GLY HA2 H 119 3.750 4.098 -0.348 1 1 1164 . 6 1 1 A 92 92 GLY HA3 H 119 3.750 4.108 -0.358 1 1 1165 . 6 1 1 A 92 92 GLY CA C 119 43.980 45.696 -1.716 1 1 1166 . 6 1 1 A 92 92 GLY N N 119 109.730 108.789 0.941 1 1 1167 . 6 1 1 A 94 94 LYS HA H 121 4.760 4.495 0.265 1 1 1168 . 6 1 1 A 95 95 ILE H H 122 7.700 8.641 -0.941 1 1 1169 . 6 1 1 A 95 95 ILE HA H 122 4.160 4.333 -0.173 1 1 1179 . 6 1 1 A 95 95 ILE CA C 122 61.270 61.839 -0.569 1 1 1180 . 6 1 1 A 95 95 ILE CB C 122 37.590 40.400 -2.810 1 1 1184 . 6 1 1 A 95 95 ILE N N 122 117.400 125.169 -7.769 1 1 1185 . 6 1 1 A 98 98 THR HA H 125 5.810 4.740 1.070 1 1 1190 . 6 1 1 A 98 98 THR CA C 125 61.740 61.009 0.731 1 1 1191 . 6 1 1 A 98 98 THR CB C 125 73.450 72.547 0.903 1 1 1193 . 6 1 1 A 99 99 ILE HA H 126 4.630 4.673 -0.043 1 1 1203 . 6 1 1 A 99 99 ILE C C 126 174.430 175.066 -0.636 1 1 1204 . 6 1 1 A 99 99 ILE CA C 126 59.980 59.287 0.693 1 1 1205 . 6 1 1 A 99 99 ILE CB C 126 40.970 38.845 2.125 1 1 1209 . 6 1 1 A 100 100 LEU H H 127 9.530 8.955 0.575 1 1 1210 . 6 1 1 A 100 100 LEU HA H 127 4.420 5.013 -0.593 1 1 1220 . 6 1 1 A 100 100 LEU C C 127 174.930 175.278 -0.348 1 1 1221 . 6 1 1 A 100 100 LEU CA C 127 54.030 53.422 0.608 1 1 1222 . 6 1 1 A 100 100 LEU CB C 127 42.520 44.748 -2.228 1 1 1226 . 6 1 1 A 100 100 LEU N N 127 127.300 126.766 0.534 1 1 1227 . 6 1 1 A 101 101 ILE H H 128 8.260 9.325 -1.065 1 1 1228 . 6 1 1 A 101 101 ILE HA H 128 4.320 4.615 -0.295 1 1 1238 . 6 1 1 A 101 101 ILE C C 128 173.880 174.550 -0.670 1 1 1239 . 6 1 1 A 101 101 ILE CA C 128 60.900 60.403 0.497 1 1 1240 . 6 1 1 A 101 101 ILE CB C 128 37.410 38.557 -1.147 1 1 1244 . 6 1 1 A 101 101 ILE N N 128 119.990 123.935 -3.945 1 1 1245 . 6 1 1 A 102 102 GLU H H 129 9.580 8.777 0.803 1 1 1246 . 6 1 1 A 102 102 GLU HA H 129 5.120 5.341 -0.221 1 1 1251 . 6 1 1 A 102 102 GLU C C 129 174.240 174.648 -0.408 1 1 1252 . 6 1 1 A 102 102 GLU CA C 129 54.050 54.847 -0.797 1 1 1253 . 6 1 1 A 102 102 GLU CB C 129 33.630 33.624 0.006 1 1 1255 . 6 1 1 A 102 102 GLU N N 129 129.780 130.042 -0.262 1 1 1256 . 6 1 1 A 103 103 LYS H H 130 8.680 8.366 0.314 1 1 1257 . 6 1 1 A 103 103 LYS HA H 130 4.720 4.872 -0.152 1 1 1264 . 6 1 1 A 103 103 LYS C C 130 175.280 174.707 0.573 1 1 1265 . 6 1 1 A 103 103 LYS CA C 130 55.190 55.288 -0.098 1 1 1266 . 6 1 1 A 103 103 LYS CB C 130 36.750 35.504 1.246 1 1 1270 . 6 1 1 A 103 103 LYS N N 130 123.420 122.141 1.279 1 1 1271 . 6 1 1 A 104 104 ASP H H 131 9.530 9.347 0.183 1 1 1272 . 6 1 1 A 104 104 ASP HA H 131 4.290 4.345 -0.055 1 1 1275 . 6 1 1 A 104 104 ASP C C 131 176.090 176.312 -0.222 1 1 1276 . 6 1 1 A 104 104 ASP CA C 131 55.370 55.584 -0.214 1 1 1277 . 6 1 1 A 104 104 ASP CB C 131 39.260 39.163 0.097 1 1 1278 . 6 1 1 A 104 104 ASP N N 131 127.440 119.783 7.657 1 1 1279 . 6 1 1 A 105 105 GLY H H 132 8.970 8.608 0.362 1 1 1280 . 6 1 1 A 105 105 GLY HA2 H 132 4.090 3.871 0.219 1 1 1281 . 6 1 1 A 105 105 GLY HA3 H 132 3.550 3.873 -0.323 1 1 1282 . 6 1 1 A 105 105 GLY C C 132 173.130 173.501 -0.371 1 1 1283 . 6 1 1 A 105 105 GLY CA C 132 45.230 45.593 -0.363 1 1 1284 . 6 1 1 A 105 105 GLY N N 132 103.820 105.138 -1.318 1 1 1285 . 6 1 1 A 106 106 GLU H H 133 7.720 7.594 0.126 1 1 1286 . 6 1 1 A 106 106 GLU HA H 133 4.720 4.694 0.026 1 1 1291 . 6 1 1 A 106 106 GLU C C 133 174.940 174.063 0.877 1 1 1292 . 6 1 1 A 106 106 GLU CA C 133 53.770 54.758 -0.988 1 1 1293 . 6 1 1 A 106 106 GLU CB C 133 32.820 32.138 0.682 1 1 1295 . 6 1 1 A 106 106 GLU N N 133 120.200 115.675 4.525 1 1 1296 . 6 1 1 A 107 107 VAL H H 134 8.900 8.718 0.182 1 1 1297 . 6 1 1 A 107 107 VAL HA H 134 3.760 4.100 -0.340 1 1 1305 . 6 1 1 A 107 107 VAL C C 134 175.340 175.914 -0.574 1 1 1306 . 6 1 1 A 107 107 VAL CA C 134 64.230 62.386 1.844 1 1 1307 . 6 1 1 A 107 107 VAL CB C 134 31.160 32.225 -1.065 1 1 1310 . 6 1 1 A 107 107 VAL N N 134 125.990 122.598 3.392 1 1 1311 . 6 1 1 A 108 108 LYS H H 135 9.250 8.606 0.644 1 1 1312 . 6 1 1 A 108 108 LYS HA H 135 4.810 4.449 0.361 1 1 1321 . 6 1 1 A 108 108 LYS C C 135 174.390 175.633 -1.243 1 1 1322 . 6 1 1 A 108 108 LYS CA C 135 54.740 55.655 -0.915 1 1 1323 . 6 1 1 A 108 108 LYS CB C 135 34.690 33.538 1.152 1 1 1327 . 6 1 1 A 108 108 LYS N N 135 126.060 124.064 1.996 1 1 1328 . 6 1 1 A 109 109 LEU H H 136 7.690 7.198 0.492 1 1 1329 . 6 1 1 A 109 109 LEU HA H 136 4.820 5.199 -0.379 1 1 1339 . 6 1 1 A 109 109 LEU C C 136 172.450 174.387 -1.937 1 1 1340 . 6 1 1 A 109 109 LEU CA C 136 53.250 53.648 -0.398 1 1 1341 . 6 1 1 A 109 109 LEU CB C 136 47.800 45.005 2.795 1 1 1345 . 6 1 1 A 109 109 LEU N N 136 116.670 119.998 -3.328 1 1 1346 . 6 1 1 A 110 110 LYS H H 137 9.170 8.503 0.667 1 1 1347 . 6 1 1 A 110 110 LYS HA H 137 5.050 4.892 0.158 1 1 1356 . 6 1 1 A 110 110 LYS C C 137 172.760 174.638 -1.878 1 1 1357 . 6 1 1 A 110 110 LYS CA C 137 54.090 54.585 -0.495 1 1 1358 . 6 1 1 A 110 110 LYS CB C 137 36.560 36.894 -0.334 1 1 1362 . 6 1 1 A 110 110 LYS N N 137 117.050 121.796 -4.746 1 1 1363 . 6 1 1 A 111 111 LEU H H 138 9.400 8.895 0.505 1 1 1364 . 6 1 1 A 111 111 LEU HA H 138 5.250 4.849 0.401 1 1 1374 . 6 1 1 A 111 111 LEU C C 138 176.470 176.630 -0.160 1 1 1375 . 6 1 1 A 111 111 LEU CA C 138 52.230 53.718 -1.488 1 1 1376 . 6 1 1 A 111 111 LEU CB C 138 42.810 42.061 0.749 1 1 1380 . 6 1 1 A 111 111 LEU N N 138 121.800 121.283 0.517 1 1 1381 . 6 1 1 A 112 112 ILE H H 139 9.080 8.752 0.328 1 1 1382 . 6 1 1 A 112 112 ILE HA H 139 5.420 4.390 1.030 1 1 1392 . 6 1 1 A 112 112 ILE C C 139 175.710 174.647 1.063 1 1 1393 . 6 1 1 A 112 112 ILE CA C 139 59.170 62.996 -3.826 1 1 1394 . 6 1 1 A 112 112 ILE CB C 139 41.010 37.055 3.955 1 1 1398 . 6 1 1 A 112 112 ILE N N 139 120.350 120.038 0.312 1 1 1399 . 6 1 1 A 113 113 ARG H H 140 8.550 8.410 0.140 1 1 1400 . 6 1 1 A 113 113 ARG HA H 140 3.940 4.248 -0.308 1 1 1403 . 6 1 1 A 113 113 ARG C C 140 176.030 176.041 -0.011 1 1 1404 . 6 1 1 A 113 113 ARG CA C 140 56.180 56.885 -0.705 1 1 1405 . 6 1 1 A 113 113 ARG CB C 140 30.770 30.939 -0.169 1 1 1408 . 6 1 1 A 113 113 ARG N N 140 127.710 125.815 1.895 1 1 1409 . 6 1 1 A 114 114 GLY H H 141 8.530 8.491 0.039 1 1 1410 . 6 1 1 A 114 114 GLY HA2 H 141 4.000 4.043 -0.043 1 1 1411 . 6 1 1 A 114 114 GLY HA3 H 141 3.820 4.061 -0.241 1 1 1412 . 6 1 1 A 114 114 GLY C C 141 172.650 173.712 -1.062 1 1 1413 . 6 1 1 A 114 114 GLY CA C 141 45.100 45.453 -0.353 1 1 1414 . 6 1 1 A 114 114 GLY N N 141 111.410 112.051 -0.641 1 1 1 . 7 1 1 A 2 2 SER HA H 29 4.540 4.427 0.113 1 1 4 . 7 1 1 A 2 2 SER C C 29 174.370 174.217 0.153 1 1 5 . 7 1 1 A 2 2 SER CA C 29 58.380 59.500 -1.120 1 1 6 . 7 1 1 A 2 2 SER CB C 29 63.670 63.306 0.364 1 1 7 . 7 1 1 A 3 3 SER H H 30 8.530 8.602 -0.072 1 1 8 . 7 1 1 A 3 3 SER HA H 30 4.480 4.273 0.207 1 1 11 . 7 1 1 A 3 3 SER C C 30 174.610 174.346 0.264 1 1 12 . 7 1 1 A 3 3 SER CA C 30 58.380 59.050 -0.670 1 1 13 . 7 1 1 A 3 3 SER CB C 30 63.690 60.947 2.743 1 1 14 . 7 1 1 A 3 3 SER N N 30 117.760 117.165 0.595 1 1 15 . 7 1 1 A 4 4 ASN H H 31 8.600 7.922 0.678 1 1 16 . 7 1 1 A 4 4 ASN HA H 31 4.710 5.125 -0.415 1 1 21 . 7 1 1 A 4 4 ASN C C 31 175.840 175.813 0.027 1 1 22 . 7 1 1 A 4 4 ASN CA C 31 53.880 52.111 1.769 1 1 23 . 7 1 1 A 4 4 ASN CB C 31 38.520 38.508 0.012 1 1 24 . 7 1 1 A 4 4 ASN N N 31 120.910 116.563 4.347 1 1 26 . 7 1 1 A 5 5 SER H H 32 8.360 7.897 0.463 1 1 27 . 7 1 1 A 5 5 SER HA H 32 4.420 4.225 0.195 1 1 30 . 7 1 1 A 5 5 SER C C 32 174.700 174.397 0.303 1 1 31 . 7 1 1 A 5 5 SER CA C 32 59.310 60.576 -1.266 1 1 32 . 7 1 1 A 5 5 SER CB C 32 63.410 63.365 0.045 1 1 33 . 7 1 1 A 5 5 SER N N 32 115.920 115.543 0.377 1 1 34 . 7 1 1 A 6 6 GLU H H 33 8.370 8.137 0.233 1 1 35 . 7 1 1 A 6 6 GLU HA H 33 4.530 3.891 0.639 1 1 40 . 7 1 1 A 6 6 GLU C C 33 176.390 175.493 0.897 1 1 41 . 7 1 1 A 6 6 GLU CA C 33 56.510 57.574 -1.064 1 1 42 . 7 1 1 A 6 6 GLU CB C 33 29.850 27.745 2.105 1 1 44 . 7 1 1 A 6 6 GLU N N 33 121.670 120.312 1.358 1 1 45 . 7 1 1 A 7 7 LYS H H 34 8.120 7.875 0.245 1 1 46 . 7 1 1 A 7 7 LYS HA H 34 4.370 4.057 0.313 1 1 55 . 7 1 1 A 7 7 LYS C C 34 176.060 175.296 0.764 1 1 56 . 7 1 1 A 7 7 LYS CA C 34 56.140 55.609 0.531 1 1 57 . 7 1 1 A 7 7 LYS CB C 34 33.200 31.932 1.268 1 1 61 . 7 1 1 A 7 7 LYS N N 34 121.020 119.415 1.605 1 1 62 . 7 1 1 A 8 8 GLU H H 35 8.550 8.382 0.168 1 1 63 . 7 1 1 A 8 8 GLU HA H 35 4.830 4.445 0.385 1 1 68 . 7 1 1 A 8 8 GLU C C 35 175.050 174.884 0.166 1 1 69 . 7 1 1 A 8 8 GLU CA C 35 56.390 55.918 0.472 1 1 70 . 7 1 1 A 8 8 GLU CB C 35 31.340 29.793 1.547 1 1 72 . 7 1 1 A 8 8 GLU N N 35 122.450 123.670 -1.220 1 1 73 . 7 1 1 A 9 9 TRP H H 36 9.680 8.644 1.036 1 1 74 . 7 1 1 A 9 9 TRP HA H 36 4.860 5.042 -0.182 1 1 80 . 7 1 1 A 9 9 TRP C C 36 175.390 175.641 -0.251 1 1 81 . 7 1 1 A 9 9 TRP CA C 36 55.890 56.228 -0.338 1 1 82 . 7 1 1 A 9 9 TRP CB C 36 30.810 30.626 0.184 1 1 85 . 7 1 1 A 9 9 TRP N N 36 122.800 126.878 -4.078 1 1 87 . 7 1 1 A 10 10 HIS H H 37 9.690 9.096 0.594 1 1 88 . 7 1 1 A 10 10 HIS HA H 37 4.990 5.136 -0.146 1 1 93 . 7 1 1 A 10 10 HIS C C 37 174.840 174.823 0.017 1 1 94 . 7 1 1 A 10 10 HIS CA C 37 54.720 55.417 -0.697 1 1 95 . 7 1 1 A 10 10 HIS CB C 37 29.840 31.494 -1.654 1 1 98 . 7 1 1 A 10 10 HIS N N 37 120.400 121.516 -1.116 1 1 99 . 7 1 1 A 11 11 ILE H H 38 7.740 8.672 -0.932 1 1 100 . 7 1 1 A 11 11 ILE HA H 38 4.360 4.663 -0.303 1 1 110 . 7 1 1 A 11 11 ILE C C 38 175.030 175.524 -0.494 1 1 111 . 7 1 1 A 11 11 ILE CA C 38 62.110 62.549 -0.439 1 1 112 . 7 1 1 A 11 11 ILE CB C 38 37.590 37.424 0.166 1 1 116 . 7 1 1 A 11 11 ILE N N 38 121.700 125.597 -3.897 1 1 117 . 7 1 1 A 12 12 VAL H H 39 9.370 9.319 0.051 1 1 118 . 7 1 1 A 12 12 VAL HA H 39 4.690 4.539 0.151 1 1 126 . 7 1 1 A 12 12 VAL CA C 39 58.500 58.483 0.017 1 1 127 . 7 1 1 A 12 12 VAL CB C 39 34.970 33.990 0.980 1 1 130 . 7 1 1 A 12 12 VAL N N 39 130.310 127.661 2.649 1 1 131 . 7 1 1 A 13 13 PRO HA H 40 4.470 4.813 -0.343 1 1 138 . 7 1 1 A 13 13 PRO C C 40 175.070 176.272 -1.202 1 1 139 . 7 1 1 A 13 13 PRO CA C 40 63.130 62.116 1.014 1 1 140 . 7 1 1 A 13 13 PRO CB C 40 33.580 32.084 1.496 1 1 143 . 7 1 1 A 14 14 VAL H H 41 7.970 8.835 -0.865 1 1 144 . 7 1 1 A 14 14 VAL HA H 41 4.170 4.068 0.102 1 1 152 . 7 1 1 A 14 14 VAL C C 41 175.360 176.089 -0.729 1 1 153 . 7 1 1 A 14 14 VAL CA C 41 63.600 63.536 0.064 1 1 154 . 7 1 1 A 14 14 VAL CB C 41 34.050 32.461 1.589 1 1 157 . 7 1 1 A 14 14 VAL N N 41 119.000 118.381 0.619 1 1 158 . 7 1 1 A 15 15 SER H H 42 8.040 7.389 0.651 1 1 159 . 7 1 1 A 15 15 SER HA H 42 4.530 4.339 0.191 1 1 162 . 7 1 1 A 15 15 SER C C 42 176.240 174.905 1.335 1 1 163 . 7 1 1 A 15 15 SER CA C 42 57.620 58.263 -0.643 1 1 164 . 7 1 1 A 15 15 SER CB C 42 64.250 63.919 0.331 1 1 165 . 7 1 1 A 15 15 SER N N 42 113.900 115.527 -1.627 1 1 166 . 7 1 1 A 16 16 LYS H H 43 8.690 9.004 -0.314 1 1 167 . 7 1 1 A 16 16 LYS HA H 43 2.830 3.678 -0.848 1 1 176 . 7 1 1 A 16 16 LYS C C 43 177.790 177.872 -0.082 1 1 177 . 7 1 1 A 16 16 LYS CA C 43 58.100 58.679 -0.579 1 1 178 . 7 1 1 A 16 16 LYS CB C 43 31.840 32.167 -0.327 1 1 182 . 7 1 1 A 16 16 LYS N N 43 124.940 127.416 -2.476 1 1 183 . 7 1 1 A 17 17 ASP H H 44 8.590 7.662 0.928 1 1 184 . 7 1 1 A 17 17 ASP HA H 44 4.100 4.368 -0.268 1 1 187 . 7 1 1 A 17 17 ASP C C 44 176.670 177.045 -0.375 1 1 188 . 7 1 1 A 17 17 ASP CA C 44 55.580 56.002 -0.422 1 1 189 . 7 1 1 A 17 17 ASP CB C 44 39.300 40.906 -1.606 1 1 190 . 7 1 1 A 17 17 ASP N N 44 118.140 118.498 -0.358 1 1 191 . 7 1 1 A 18 18 TYR H H 45 7.870 7.462 0.408 1 1 192 . 7 1 1 A 18 18 TYR HA H 45 4.550 4.561 -0.011 1 1 199 . 7 1 1 A 18 18 TYR C C 45 174.860 176.554 -1.694 1 1 200 . 7 1 1 A 18 18 TYR CA C 45 58.510 57.901 0.609 1 1 201 . 7 1 1 A 18 18 TYR CB C 45 39.470 38.377 1.093 1 1 206 . 7 1 1 A 18 18 TYR N N 45 115.260 117.814 -2.554 1 1 207 . 7 1 1 A 19 19 PHE H H 46 7.430 7.825 -0.395 1 1 208 . 7 1 1 A 19 19 PHE HA H 46 4.360 4.462 -0.102 1 1 215 . 7 1 1 A 19 19 PHE C C 46 176.950 176.646 0.304 1 1 216 . 7 1 1 A 19 19 PHE CA C 46 59.340 60.717 -1.377 1 1 217 . 7 1 1 A 19 19 PHE CB C 46 37.870 37.924 -0.054 1 1 222 . 7 1 1 A 19 19 PHE N N 46 120.020 120.975 -0.955 1 1 223 . 7 1 1 A 20 20 SER H H 47 8.620 7.847 0.773 1 1 224 . 7 1 1 A 20 20 SER HA H 47 4.430 4.444 -0.014 1 1 227 . 7 1 1 A 20 20 SER C C 47 173.980 175.039 -1.059 1 1 228 . 7 1 1 A 20 20 SER CA C 47 58.660 59.284 -0.624 1 1 229 . 7 1 1 A 20 20 SER CB C 47 62.850 63.681 -0.831 1 1 230 . 7 1 1 A 20 20 SER N N 47 111.500 112.366 -0.866 1 1 231 . 7 1 1 A 21 21 ILE H H 48 7.660 7.622 0.038 1 1 232 . 7 1 1 A 21 21 ILE HA H 48 4.110 4.195 -0.085 1 1 242 . 7 1 1 A 21 21 ILE CA C 48 59.780 60.678 -0.898 1 1 243 . 7 1 1 A 21 21 ILE CB C 48 38.330 37.846 0.484 1 1 247 . 7 1 1 A 21 21 ILE N N 48 119.380 126.132 -6.752 1 1 248 . 7 1 1 A 22 22 PRO HA H 49 4.500 4.539 -0.039 1 1 255 . 7 1 1 A 22 22 PRO C C 49 176.110 177.603 -1.493 1 1 256 . 7 1 1 A 22 22 PRO CA C 49 62.880 62.631 0.249 1 1 257 . 7 1 1 A 22 22 PRO CB C 49 32.570 33.295 -0.725 1 1 260 . 7 1 1 A 23 23 ASN H H 50 8.630 8.879 -0.249 1 1 261 . 7 1 1 A 23 23 ASN HA H 50 4.800 4.556 0.244 1 1 266 . 7 1 1 A 23 23 ASN C C 50 176.580 174.978 1.602 1 1 267 . 7 1 1 A 23 23 ASN CA C 50 53.610 56.105 -2.495 1 1 268 . 7 1 1 A 23 23 ASN CB C 50 38.490 38.855 -0.365 1 1 269 . 7 1 1 A 23 23 ASN N N 50 117.590 119.202 -1.612 1 1 271 . 7 1 1 A 24 24 ASP H H 51 8.580 7.876 0.704 1 1 272 . 7 1 1 A 24 24 ASP HA H 51 4.760 4.926 -0.166 1 1 275 . 7 1 1 A 24 24 ASP C C 51 175.090 173.960 1.130 1 1 276 . 7 1 1 A 24 24 ASP CA C 51 52.500 54.220 -1.720 1 1 277 . 7 1 1 A 24 24 ASP CB C 51 39.840 43.560 -3.720 1 1 278 . 7 1 1 A 24 24 ASP N N 51 120.490 117.842 2.648 1 1 279 . 7 1 1 A 25 25 LEU H H 52 8.400 9.066 -0.666 1 1 280 . 7 1 1 A 25 25 LEU HA H 52 4.390 5.090 -0.700 1 1 290 . 7 1 1 A 25 25 LEU C C 52 176.340 175.337 1.003 1 1 291 . 7 1 1 A 25 25 LEU CA C 52 55.460 53.616 1.844 1 1 292 . 7 1 1 A 25 25 LEU CB C 52 43.270 43.333 -0.063 1 1 296 . 7 1 1 A 25 25 LEU N N 52 119.530 127.302 -7.772 1 1 297 . 7 1 1 A 26 26 LEU H H 53 8.840 9.459 -0.619 1 1 298 . 7 1 1 A 26 26 LEU HA H 53 5.140 5.087 0.053 1 1 308 . 7 1 1 A 26 26 LEU C C 53 174.620 175.280 -0.660 1 1 309 . 7 1 1 A 26 26 LEU CA C 53 52.840 53.192 -0.352 1 1 310 . 7 1 1 A 26 26 LEU CB C 53 44.070 42.393 1.677 1 1 314 . 7 1 1 A 26 26 LEU N N 53 126.610 123.860 2.750 1 1 315 . 7 1 1 A 27 27 TRP H H 54 9.230 9.293 -0.063 1 1 316 . 7 1 1 A 27 27 TRP HA H 54 5.570 5.208 0.362 1 1 325 . 7 1 1 A 27 27 TRP C C 54 175.740 174.869 0.871 1 1 326 . 7 1 1 A 27 27 TRP CA C 54 54.510 55.649 -1.139 1 1 327 . 7 1 1 A 27 27 TRP CB C 54 31.710 33.007 -1.297 1 1 333 . 7 1 1 A 27 27 TRP N N 54 122.650 128.006 -5.356 1 1 335 . 7 1 1 A 28 28 SER H H 55 9.240 8.491 0.749 1 1 336 . 7 1 1 A 28 28 SER HA H 55 5.490 5.291 0.199 1 1 339 . 7 1 1 A 28 28 SER C C 55 173.440 172.980 0.460 1 1 340 . 7 1 1 A 28 28 SER CA C 55 56.990 57.532 -0.542 1 1 341 . 7 1 1 A 28 28 SER CB C 55 66.150 65.849 0.301 1 1 342 . 7 1 1 A 28 28 SER N N 55 121.970 121.719 0.251 1 1 343 . 7 1 1 A 29 29 PHE H H 56 9.590 9.159 0.431 1 1 344 . 7 1 1 A 29 29 PHE HA H 56 5.150 4.714 0.436 1 1 352 . 7 1 1 A 29 29 PHE C C 56 175.810 175.439 0.371 1 1 353 . 7 1 1 A 29 29 PHE CA C 56 57.180 59.433 -2.253 1 1 354 . 7 1 1 A 29 29 PHE CB C 56 42.370 39.410 2.960 1 1 360 . 7 1 1 A 29 29 PHE N N 56 121.420 125.534 -4.114 1 1 361 . 7 1 1 A 30 30 ASN H H 57 9.400 9.378 0.022 1 1 362 . 7 1 1 A 30 30 ASN HA H 57 5.220 4.951 0.269 1 1 367 . 7 1 1 A 30 30 ASN C C 57 176.540 176.241 0.299 1 1 368 . 7 1 1 A 30 30 ASN CA C 57 52.320 51.840 0.480 1 1 369 . 7 1 1 A 30 30 ASN CB C 57 38.520 38.133 0.387 1 1 370 . 7 1 1 A 30 30 ASN N N 57 120.660 123.616 -2.956 1 1 372 . 7 1 1 A 31 31 THR H H 58 9.180 8.298 0.882 1 1 373 . 7 1 1 A 31 31 THR HA H 58 4.800 4.685 0.115 1 1 378 . 7 1 1 A 31 31 THR C C 58 176.950 174.794 2.156 1 1 379 . 7 1 1 A 31 31 THR CA C 58 63.430 62.357 1.073 1 1 380 . 7 1 1 A 31 31 THR CB C 58 68.110 69.292 -1.182 1 1 382 . 7 1 1 A 31 31 THR N N 58 114.630 117.732 -3.102 1 1 383 . 7 1 1 A 32 32 THR H H 59 8.450 7.599 0.851 1 1 384 . 7 1 1 A 32 32 THR HA H 59 4.130 4.238 -0.108 1 1 389 . 7 1 1 A 32 32 THR C C 59 175.130 176.183 -1.053 1 1 390 . 7 1 1 A 32 32 THR CA C 59 65.550 64.347 1.203 1 1 391 . 7 1 1 A 32 32 THR CB C 59 68.200 69.592 -1.392 1 1 393 . 7 1 1 A 32 32 THR N N 59 120.020 116.091 3.929 1 1 394 . 7 1 1 A 33 33 ASN H H 60 7.500 8.191 -0.691 1 1 395 . 7 1 1 A 33 33 ASN HA H 60 4.690 4.863 -0.173 1 1 400 . 7 1 1 A 33 33 ASN C C 60 174.230 174.729 -0.499 1 1 401 . 7 1 1 A 33 33 ASN CA C 60 51.650 51.850 -0.200 1 1 402 . 7 1 1 A 33 33 ASN CB C 60 37.870 38.640 -0.770 1 1 403 . 7 1 1 A 33 33 ASN N N 60 117.490 113.800 3.690 1 1 405 . 7 1 1 A 34 34 LYS H H 61 7.580 7.661 -0.081 1 1 406 . 7 1 1 A 34 34 LYS HA H 61 3.500 4.199 -0.699 1 1 415 . 7 1 1 A 34 34 LYS C C 61 172.880 175.071 -2.191 1 1 416 . 7 1 1 A 34 34 LYS CA C 61 57.160 57.246 -0.086 1 1 417 . 7 1 1 A 34 34 LYS CB C 61 28.540 29.855 -1.315 1 1 421 . 7 1 1 A 34 34 LYS N N 61 118.030 115.249 2.781 1 1 422 . 7 1 1 A 35 35 SER H H 62 8.560 8.078 0.482 1 1 423 . 7 1 1 A 35 35 SER HA H 62 5.670 5.140 0.530 1 1 426 . 7 1 1 A 35 35 SER C C 62 173.510 172.942 0.568 1 1 427 . 7 1 1 A 35 35 SER CA C 62 56.110 56.966 -0.856 1 1 428 . 7 1 1 A 35 35 SER CB C 62 67.800 66.186 1.614 1 1 429 . 7 1 1 A 35 35 SER N N 62 109.720 110.427 -0.707 1 1 430 . 7 1 1 A 36 36 ILE H H 63 8.750 9.419 -0.669 1 1 431 . 7 1 1 A 36 36 ILE HA H 63 4.940 4.544 0.396 1 1 441 . 7 1 1 A 36 36 ILE C C 63 174.660 175.286 -0.626 1 1 442 . 7 1 1 A 36 36 ILE CA C 63 58.180 60.683 -2.503 1 1 443 . 7 1 1 A 36 36 ILE CB C 63 40.660 37.922 2.738 1 1 447 . 7 1 1 A 36 36 ILE N N 63 117.490 123.153 -5.663 1 1 448 . 7 1 1 A 37 37 ASN H H 64 8.400 8.968 -0.568 1 1 449 . 7 1 1 A 37 37 ASN HA H 64 5.650 5.647 0.003 1 1 454 . 7 1 1 A 37 37 ASN C C 64 173.490 174.377 -0.887 1 1 455 . 7 1 1 A 37 37 ASN CA C 64 51.670 52.264 -0.594 1 1 456 . 7 1 1 A 37 37 ASN CB C 64 41.900 40.172 1.728 1 1 457 . 7 1 1 A 37 37 ASN N N 64 122.180 125.897 -3.717 1 1 459 . 7 1 1 A 38 38 VAL H H 65 8.900 8.710 0.190 1 1 460 . 7 1 1 A 38 38 VAL HA H 65 5.540 4.768 0.772 1 1 468 . 7 1 1 A 38 38 VAL C C 65 174.590 175.102 -0.512 1 1 469 . 7 1 1 A 38 38 VAL CA C 65 60.060 61.045 -0.985 1 1 470 . 7 1 1 A 38 38 VAL CB C 65 34.870 32.954 1.916 1 1 473 . 7 1 1 A 38 38 VAL N N 65 122.060 125.804 -3.744 1 1 474 . 7 1 1 A 39 39 TYR H H 66 8.910 8.833 0.077 1 1 475 . 7 1 1 A 39 39 TYR HA H 66 5.490 5.913 -0.423 1 1 482 . 7 1 1 A 39 39 TYR C C 66 172.810 173.441 -0.631 1 1 483 . 7 1 1 A 39 39 TYR CA C 66 56.220 55.669 0.551 1 1 484 . 7 1 1 A 39 39 TYR CB C 66 40.620 42.360 -1.740 1 1 489 . 7 1 1 A 39 39 TYR N N 66 123.530 124.317 -0.787 1 1 490 . 7 1 1 A 40 40 SER H H 67 8.970 9.332 -0.362 1 1 491 . 7 1 1 A 40 40 SER HA H 67 4.780 4.922 -0.142 1 1 495 . 7 1 1 A 40 40 SER C C 67 174.360 174.857 -0.497 1 1 496 . 7 1 1 A 40 40 SER CA C 67 56.580 56.973 -0.393 1 1 497 . 7 1 1 A 40 40 SER CB C 67 66.290 65.460 0.830 1 1 498 . 7 1 1 A 40 40 SER N N 67 115.210 114.207 1.003 1 1 499 . 7 1 1 A 41 41 LYS H H 68 9.020 8.783 0.237 1 1 500 . 7 1 1 A 41 41 LYS HA H 68 4.210 3.920 0.290 1 1 509 . 7 1 1 A 41 41 LYS C C 68 177.730 177.332 0.398 1 1 510 . 7 1 1 A 41 41 LYS CA C 68 59.240 59.615 -0.375 1 1 511 . 7 1 1 A 41 41 LYS CB C 68 31.660 31.937 -0.277 1 1 515 . 7 1 1 A 41 41 LYS N N 68 118.790 118.431 0.359 1 1 516 . 7 1 1 A 42 42 CYS H H 69 8.090 7.365 0.725 1 1 517 . 7 1 1 A 42 42 CYS HA H 69 4.750 4.701 0.049 1 1 520 . 7 1 1 A 42 42 CYS C C 69 173.260 173.880 -0.620 1 1 521 . 7 1 1 A 42 42 CYS CA C 69 52.780 56.842 -4.062 1 1 522 . 7 1 1 A 42 42 CYS CB C 69 39.470 44.574 -5.104 1 1 523 . 7 1 1 A 42 42 CYS N N 69 113.650 114.710 -1.060 1 1 524 . 7 1 1 A 43 43 ILE H H 70 7.550 7.640 -0.090 1 1 525 . 7 1 1 A 43 43 ILE HA H 70 5.210 4.860 0.350 1 1 535 . 7 1 1 A 43 43 ILE C C 70 171.870 174.979 -3.109 1 1 536 . 7 1 1 A 43 43 ILE CA C 70 59.800 61.269 -1.469 1 1 537 . 7 1 1 A 43 43 ILE CB C 70 42.550 39.674 2.876 1 1 541 . 7 1 1 A 43 43 ILE N N 70 118.580 121.365 -2.785 1 1 542 . 7 1 1 A 44 44 SER H H 71 8.190 8.827 -0.637 1 1 543 . 7 1 1 A 44 44 SER HA H 71 5.190 5.321 -0.131 1 1 546 . 7 1 1 A 44 44 SER C C 71 173.790 173.098 0.692 1 1 547 . 7 1 1 A 44 44 SER CA C 71 56.980 58.178 -1.198 1 1 548 . 7 1 1 A 44 44 SER CB C 71 64.910 65.207 -0.297 1 1 549 . 7 1 1 A 44 44 SER N N 71 117.640 122.060 -4.420 1 1 550 . 7 1 1 A 45 45 GLY H H 72 9.720 9.113 0.607 1 1 551 . 7 1 1 A 45 45 GLY HA2 H 72 5.280 4.470 0.810 1 1 552 . 7 1 1 A 45 45 GLY HA3 H 72 3.460 4.472 -1.012 1 1 553 . 7 1 1 A 45 45 GLY C C 72 171.300 172.629 -1.329 1 1 554 . 7 1 1 A 45 45 GLY CA C 72 45.230 44.400 0.830 1 1 555 . 7 1 1 A 45 45 GLY N N 72 114.160 113.615 0.545 1 1 556 . 7 1 1 A 46 46 LYS H H 73 8.340 8.482 -0.142 1 1 557 . 7 1 1 A 46 46 LYS HA H 73 5.530 5.440 0.090 1 1 566 . 7 1 1 A 46 46 LYS C C 73 174.510 175.116 -0.606 1 1 567 . 7 1 1 A 46 46 LYS CA C 73 54.930 54.385 0.545 1 1 568 . 7 1 1 A 46 46 LYS CB C 73 36.420 35.449 0.971 1 1 572 . 7 1 1 A 46 46 LYS N N 73 123.520 118.214 5.306 1 1 573 . 7 1 1 A 47 47 ALA H H 74 8.440 8.346 0.094 1 1 574 . 7 1 1 A 47 47 ALA HA H 74 4.400 4.891 -0.491 1 1 578 . 7 1 1 A 47 47 ALA C C 74 175.850 175.881 -0.031 1 1 579 . 7 1 1 A 47 47 ALA CA C 74 49.860 51.113 -1.253 1 1 580 . 7 1 1 A 47 47 ALA CB C 74 20.750 22.028 -1.278 1 1 581 . 7 1 1 A 47 47 ALA N N 74 125.710 120.564 5.146 1 1 582 . 7 1 1 A 48 48 VAL H H 75 7.840 8.192 -0.352 1 1 583 . 7 1 1 A 48 48 VAL HA H 75 4.640 4.282 0.358 1 1 591 . 7 1 1 A 48 48 VAL C C 75 176.660 175.399 1.261 1 1 592 . 7 1 1 A 48 48 VAL CA C 75 61.160 61.311 -0.151 1 1 593 . 7 1 1 A 48 48 VAL CB C 75 32.180 32.241 -0.061 1 1 596 . 7 1 1 A 48 48 VAL N N 75 120.660 120.159 0.501 1 1 597 . 7 1 1 A 49 49 TYR H H 76 8.340 8.348 -0.008 1 1 598 . 7 1 1 A 49 49 TYR HA H 76 5.230 5.536 -0.306 1 1 605 . 7 1 1 A 49 49 TYR C C 76 173.480 174.468 -0.988 1 1 606 . 7 1 1 A 49 49 TYR CA C 76 54.940 55.200 -0.260 1 1 607 . 7 1 1 A 49 49 TYR CB C 76 42.030 41.310 0.720 1 1 612 . 7 1 1 A 49 49 TYR N N 76 126.510 125.536 0.974 1 1 613 . 7 1 1 A 50 50 SER H H 77 8.360 8.196 0.164 1 1 614 . 7 1 1 A 50 50 SER HA H 77 4.560 5.211 -0.651 1 1 617 . 7 1 1 A 50 50 SER C C 77 171.180 172.902 -1.722 1 1 618 . 7 1 1 A 50 50 SER CA C 77 56.890 57.124 -0.234 1 1 619 . 7 1 1 A 50 50 SER CB C 77 65.650 66.286 -0.636 1 1 620 . 7 1 1 A 50 50 SER N N 77 111.300 116.030 -4.730 1 1 621 . 7 1 1 A 51 51 PHE H H 78 8.660 8.853 -0.193 1 1 622 . 7 1 1 A 51 51 PHE HA H 78 5.860 5.816 0.044 1 1 630 . 7 1 1 A 51 51 PHE C C 78 176.800 174.470 2.330 1 1 631 . 7 1 1 A 51 51 PHE CA C 78 56.090 56.338 -0.248 1 1 632 . 7 1 1 A 51 51 PHE CB C 78 42.280 42.756 -0.476 1 1 638 . 7 1 1 A 51 51 PHE N N 78 116.710 120.387 -3.677 1 1 639 . 7 1 1 A 52 52 ASN H H 79 9.190 9.164 0.026 1 1 640 . 7 1 1 A 52 52 ASN HA H 79 4.900 5.183 -0.283 1 1 645 . 7 1 1 A 52 52 ASN C C 79 174.870 174.503 0.367 1 1 646 . 7 1 1 A 52 52 ASN CA C 79 53.300 52.602 0.698 1 1 647 . 7 1 1 A 52 52 ASN CB C 79 41.350 40.850 0.500 1 1 648 . 7 1 1 A 52 52 ASN N N 79 119.620 120.751 -1.131 1 1 650 . 7 1 1 A 53 53 ALA H H 80 9.650 9.261 0.389 1 1 651 . 7 1 1 A 53 53 ALA HA H 80 4.110 4.100 0.010 1 1 655 . 7 1 1 A 53 53 ALA C C 80 176.800 177.184 -0.384 1 1 656 . 7 1 1 A 53 53 ALA CA C 80 52.860 53.381 -0.521 1 1 657 . 7 1 1 A 53 53 ALA CB C 80 16.760 17.892 -1.132 1 1 658 . 7 1 1 A 53 53 ALA N N 80 131.210 129.989 1.221 1 1 659 . 7 1 1 A 54 54 GLY H H 81 8.850 8.612 0.238 1 1 660 . 7 1 1 A 54 54 GLY HA2 H 81 4.320 3.890 0.430 1 1 661 . 7 1 1 A 54 54 GLY HA3 H 81 4.220 3.914 0.306 1 1 662 . 7 1 1 A 54 54 GLY C C 81 173.950 174.043 -0.093 1 1 663 . 7 1 1 A 54 54 GLY CA C 81 45.320 45.426 -0.106 1 1 664 . 7 1 1 A 54 54 GLY N N 81 104.570 102.728 1.842 1 1 665 . 7 1 1 A 55 55 LYS H H 82 8.030 7.807 0.223 1 1 666 . 7 1 1 A 55 55 LYS HA H 82 4.910 4.451 0.459 1 1 675 . 7 1 1 A 55 55 LYS C C 82 174.120 175.796 -1.676 1 1 676 . 7 1 1 A 55 55 LYS CA C 82 54.350 56.014 -1.664 1 1 677 . 7 1 1 A 55 55 LYS CB C 82 34.010 32.316 1.694 1 1 681 . 7 1 1 A 55 55 LYS N N 82 120.230 120.668 -0.438 1 1 682 . 7 1 1 A 56 56 PHE H H 83 9.390 9.261 0.129 1 1 683 . 7 1 1 A 56 56 PHE HA H 83 4.250 4.648 -0.398 1 1 691 . 7 1 1 A 56 56 PHE C C 83 173.870 174.253 -0.383 1 1 692 . 7 1 1 A 56 56 PHE CA C 83 56.630 57.015 -0.385 1 1 693 . 7 1 1 A 56 56 PHE CB C 83 40.940 40.717 0.223 1 1 699 . 7 1 1 A 56 56 PHE N N 83 125.150 125.724 -0.574 1 1 700 . 7 1 1 A 57 57 MET H H 84 8.270 8.835 -0.565 1 1 701 . 7 1 1 A 57 57 MET HA H 84 5.140 6.028 -0.888 1 1 709 . 7 1 1 A 57 57 MET C C 84 174.090 174.953 -0.863 1 1 710 . 7 1 1 A 57 57 MET CA C 84 53.600 53.981 -0.381 1 1 711 . 7 1 1 A 57 57 MET CB C 84 36.190 37.553 -1.363 1 1 714 . 7 1 1 A 57 57 MET N N 84 124.270 124.828 -0.558 1 1 715 . 7 1 1 A 58 58 GLY H H 85 7.420 8.291 -0.871 1 1 716 . 7 1 1 A 58 58 GLY HA2 H 85 3.900 3.780 0.120 1 1 717 . 7 1 1 A 58 58 GLY HA3 H 85 2.790 3.869 -1.079 1 1 718 . 7 1 1 A 58 58 GLY C C 85 169.900 171.665 -1.765 1 1 719 . 7 1 1 A 58 58 GLY CA C 85 45.620 45.429 0.191 1 1 720 . 7 1 1 A 58 58 GLY N N 85 103.440 107.735 -4.295 1 1 721 . 7 1 1 A 59 59 ASN H H 86 8.410 8.517 -0.107 1 1 722 . 7 1 1 A 59 59 ASN HA H 86 4.890 5.200 -0.310 1 1 727 . 7 1 1 A 59 59 ASN C C 86 174.650 174.104 0.546 1 1 728 . 7 1 1 A 59 59 ASN CA C 86 51.110 51.939 -0.829 1 1 729 . 7 1 1 A 59 59 ASN CB C 86 38.140 40.232 -2.092 1 1 730 . 7 1 1 A 59 59 ASN N N 86 122.270 121.819 0.451 1 1 732 . 7 1 1 A 60 60 PHE H H 87 8.870 9.046 -0.176 1 1 733 . 7 1 1 A 60 60 PHE HA H 87 4.120 5.207 -1.087 1 1 741 . 7 1 1 A 60 60 PHE C C 87 175.620 174.769 0.851 1 1 742 . 7 1 1 A 60 60 PHE CA C 87 58.850 56.584 2.266 1 1 743 . 7 1 1 A 60 60 PHE CB C 87 39.910 41.128 -1.218 1 1 749 . 7 1 1 A 60 60 PHE N N 87 123.420 125.860 -2.440 1 1 750 . 7 1 1 A 61 61 ASN H H 88 8.610 9.427 -0.817 1 1 751 . 7 1 1 A 61 61 ASN HA H 88 4.900 5.079 -0.179 1 1 756 . 7 1 1 A 61 61 ASN C C 88 175.090 173.836 1.254 1 1 757 . 7 1 1 A 61 61 ASN CA C 88 52.690 51.883 0.807 1 1 758 . 7 1 1 A 61 61 ASN CB C 88 39.830 38.614 1.216 1 1 759 . 7 1 1 A 61 61 ASN N N 88 121.520 120.575 0.945 1 1 761 . 7 1 1 A 62 62 VAL H H 89 8.890 8.560 0.330 1 1 762 . 7 1 1 A 62 62 VAL HA H 89 4.820 4.642 0.178 1 1 770 . 7 1 1 A 62 62 VAL C C 89 174.650 174.883 -0.233 1 1 771 . 7 1 1 A 62 62 VAL CA C 89 60.870 61.805 -0.935 1 1 772 . 7 1 1 A 62 62 VAL CB C 89 34.690 33.216 1.474 1 1 775 . 7 1 1 A 62 62 VAL N N 89 123.750 124.347 -0.597 1 1 776 . 7 1 1 A 63 63 LYS H H 90 8.750 9.221 -0.471 1 1 777 . 7 1 1 A 63 63 LYS HA H 90 4.670 4.846 -0.176 1 1 786 . 7 1 1 A 63 63 LYS C C 90 174.990 175.449 -0.459 1 1 787 . 7 1 1 A 63 63 LYS CA C 90 55.010 55.535 -0.525 1 1 788 . 7 1 1 A 63 63 LYS CB C 90 34.030 33.618 0.412 1 1 792 . 7 1 1 A 63 63 LYS N N 90 126.210 128.032 -1.822 1 1 793 . 7 1 1 A 64 64 GLU H H 91 9.170 9.039 0.131 1 1 794 . 7 1 1 A 64 64 GLU HA H 91 5.020 5.258 -0.238 1 1 799 . 7 1 1 A 64 64 GLU C C 91 175.680 175.107 0.573 1 1 800 . 7 1 1 A 64 64 GLU CA C 91 54.400 55.169 -0.769 1 1 801 . 7 1 1 A 64 64 GLU CB C 91 32.690 33.777 -1.087 1 1 803 . 7 1 1 A 64 64 GLU N N 91 128.500 127.981 0.519 1 1 804 . 7 1 1 A 65 65 VAL H H 92 8.330 9.270 -0.940 1 1 805 . 7 1 1 A 65 65 VAL HA H 92 3.880 5.096 -1.216 1 1 813 . 7 1 1 A 65 65 VAL C C 92 175.940 173.647 2.293 1 1 814 . 7 1 1 A 65 65 VAL CA C 92 62.290 60.096 2.194 1 1 815 . 7 1 1 A 65 65 VAL CB C 92 32.080 34.548 -2.468 1 1 818 . 7 1 1 A 65 65 VAL N N 92 126.870 120.203 6.667 1 1 819 . 7 1 1 A 66 66 ASP H H 93 8.810 8.910 -0.100 1 1 820 . 7 1 1 A 66 66 ASP HA H 93 4.440 5.364 -0.924 1 1 823 . 7 1 1 A 66 66 ASP C C 93 177.330 176.701 0.629 1 1 824 . 7 1 1 A 66 66 ASP CA C 93 55.950 52.603 3.347 1 1 825 . 7 1 1 A 66 66 ASP CB C 93 40.760 43.581 -2.821 1 1 826 . 7 1 1 A 66 66 ASP N N 93 130.720 123.309 7.411 1 1 827 . 7 1 1 A 67 67 GLY H H 94 8.910 8.843 0.067 1 1 828 . 7 1 1 A 67 67 GLY HA2 H 94 4.020 3.909 0.111 1 1 829 . 7 1 1 A 67 67 GLY HA3 H 94 3.820 3.923 -0.103 1 1 830 . 7 1 1 A 67 67 GLY C C 94 173.530 174.803 -1.273 1 1 831 . 7 1 1 A 67 67 GLY CA C 94 45.830 45.075 0.755 1 1 832 . 7 1 1 A 67 67 GLY N N 94 112.760 113.122 -0.362 1 1 833 . 7 1 1 A 68 68 CYS H H 95 7.540 7.990 -0.450 1 1 834 . 7 1 1 A 68 68 CYS HA H 95 4.260 4.151 0.109 1 1 837 . 7 1 1 A 68 68 CYS C C 95 175.640 175.324 0.316 1 1 838 . 7 1 1 A 68 68 CYS CA C 95 58.280 59.377 -1.097 1 1 839 . 7 1 1 A 68 68 CYS CB C 95 38.240 42.153 -3.913 1 1 840 . 7 1 1 A 68 68 CYS N N 95 119.700 119.922 -0.222 1 1 841 . 7 1 1 A 69 69 PHE H H 96 8.850 7.652 1.198 1 1 842 . 7 1 1 A 69 69 PHE HA H 96 5.010 4.602 0.408 1 1 850 . 7 1 1 A 69 69 PHE C C 96 177.330 175.406 1.924 1 1 851 . 7 1 1 A 69 69 PHE CA C 96 56.460 57.771 -1.311 1 1 852 . 7 1 1 A 69 69 PHE CB C 96 40.020 38.843 1.177 1 1 858 . 7 1 1 A 69 69 PHE N N 96 117.790 116.959 0.831 1 1 859 . 7 1 1 A 70 70 MET H H 97 8.710 8.187 0.523 1 1 860 . 7 1 1 A 70 70 MET HA H 97 4.700 4.173 0.527 1 1 868 . 7 1 1 A 70 70 MET C C 97 177.650 175.828 1.822 1 1 869 . 7 1 1 A 70 70 MET CA C 97 54.570 57.555 -2.985 1 1 870 . 7 1 1 A 70 70 MET CB C 97 33.990 31.345 2.645 1 1 873 . 7 1 1 A 70 70 MET N N 97 119.890 116.121 3.769 1 1 874 . 7 1 1 A 71 71 ASP H H 98 8.980 8.894 0.086 1 1 875 . 7 1 1 A 71 71 ASP HA H 98 4.280 4.710 -0.430 1 1 878 . 7 1 1 A 71 71 ASP C C 98 177.920 177.991 -0.071 1 1 879 . 7 1 1 A 71 71 ASP CA C 98 58.380 55.998 2.382 1 1 880 . 7 1 1 A 71 71 ASP CB C 98 40.100 41.927 -1.827 1 1 881 . 7 1 1 A 71 71 ASP N N 98 123.440 124.875 -1.435 1 1 882 . 7 1 1 A 72 72 ALA H H 99 8.950 8.087 0.863 1 1 883 . 7 1 1 A 72 72 ALA HA H 99 4.030 4.091 -0.061 1 1 887 . 7 1 1 A 72 72 ALA C C 99 180.740 179.330 1.410 1 1 888 . 7 1 1 A 72 72 ALA CA C 99 55.020 54.325 0.695 1 1 889 . 7 1 1 A 72 72 ALA CB C 99 18.280 18.374 -0.094 1 1 890 . 7 1 1 A 72 72 ALA N N 99 119.200 121.919 -2.719 1 1 891 . 7 1 1 A 73 73 GLN H H 100 7.120 7.705 -0.585 1 1 892 . 7 1 1 A 73 73 GLN HA H 100 4.020 4.192 -0.172 1 1 899 . 7 1 1 A 73 73 GLN C C 100 176.880 178.354 -1.474 1 1 900 . 7 1 1 A 73 73 GLN CA C 100 57.720 58.577 -0.857 1 1 901 . 7 1 1 A 73 73 GLN CB C 100 28.940 28.156 0.784 1 1 903 . 7 1 1 A 73 73 GLN N N 100 115.380 117.769 -2.389 1 1 905 . 7 1 1 A 74 74 LYS H H 101 7.760 7.899 -0.139 1 1 906 . 7 1 1 A 74 74 LYS HA H 101 3.510 4.047 -0.537 1 1 915 . 7 1 1 A 74 74 LYS C C 101 177.610 178.553 -0.943 1 1 916 . 7 1 1 A 74 74 LYS CA C 101 58.500 58.987 -0.487 1 1 917 . 7 1 1 A 74 74 LYS CB C 101 31.790 32.473 -0.683 1 1 921 . 7 1 1 A 74 74 LYS N N 101 119.560 121.502 -1.942 1 1 922 . 7 1 1 A 75 75 ILE H H 102 7.760 8.143 -0.383 1 1 923 . 7 1 1 A 75 75 ILE HA H 102 3.750 3.621 0.129 1 1 933 . 7 1 1 A 75 75 ILE C C 102 178.530 177.605 0.925 1 1 934 . 7 1 1 A 75 75 ILE CA C 102 64.200 65.573 -1.373 1 1 935 . 7 1 1 A 75 75 ILE CB C 102 38.170 37.582 0.588 1 1 939 . 7 1 1 A 75 75 ILE N N 102 117.490 120.117 -2.627 1 1 940 . 7 1 1 A 76 76 ALA H H 103 7.090 8.501 -1.411 1 1 941 . 7 1 1 A 76 76 ALA HA H 103 3.990 3.792 0.198 1 1 945 . 7 1 1 A 76 76 ALA C C 103 178.650 180.320 -1.670 1 1 946 . 7 1 1 A 76 76 ALA CA C 103 55.020 55.220 -0.200 1 1 947 . 7 1 1 A 76 76 ALA CB C 103 18.570 18.312 0.258 1 1 948 . 7 1 1 A 76 76 ALA N N 103 121.190 121.802 -0.612 1 1 949 . 7 1 1 A 77 77 ILE H H 104 8.150 7.634 0.516 1 1 950 . 7 1 1 A 77 77 ILE HA H 104 3.420 3.463 -0.043 1 1 960 . 7 1 1 A 77 77 ILE C C 104 176.670 177.200 -0.530 1 1 961 . 7 1 1 A 77 77 ILE CA C 104 63.130 64.626 -1.496 1 1 962 . 7 1 1 A 77 77 ILE CB C 104 36.680 36.414 0.266 1 1 966 . 7 1 1 A 77 77 ILE N N 104 119.240 118.395 0.845 1 1 967 . 7 1 1 A 78 78 ASP H H 105 8.290 8.517 -0.227 1 1 968 . 7 1 1 A 78 78 ASP HA H 105 4.440 4.276 0.164 1 1 971 . 7 1 1 A 78 78 ASP C C 105 180.350 178.580 1.770 1 1 972 . 7 1 1 A 78 78 ASP CA C 105 57.440 57.829 -0.389 1 1 973 . 7 1 1 A 78 78 ASP CB C 105 39.430 41.266 -1.836 1 1 974 . 7 1 1 A 78 78 ASP N N 105 121.080 121.938 -0.858 1 1 975 . 7 1 1 A 79 79 LYS H H 106 7.960 8.163 -0.203 1 1 976 . 7 1 1 A 79 79 LYS HA H 106 4.010 4.000 0.010 1 1 985 . 7 1 1 A 79 79 LYS C C 106 178.580 178.978 -0.398 1 1 986 . 7 1 1 A 79 79 LYS CA C 106 59.780 59.290 0.490 1 1 987 . 7 1 1 A 79 79 LYS CB C 106 31.800 32.289 -0.489 1 1 991 . 7 1 1 A 79 79 LYS N N 106 121.340 118.778 2.562 1 1 992 . 7 1 1 A 80 80 LEU H H 107 8.230 8.162 0.068 1 1 993 . 7 1 1 A 80 80 LEU HA H 107 3.990 4.124 -0.134 1 1 1003 . 7 1 1 A 80 80 LEU C C 107 178.230 178.362 -0.132 1 1 1004 . 7 1 1 A 80 80 LEU CA C 107 58.570 58.291 0.279 1 1 1005 . 7 1 1 A 80 80 LEU CB C 107 41.110 41.422 -0.312 1 1 1009 . 7 1 1 A 80 80 LEU N N 107 123.530 121.358 2.172 1 1 1010 . 7 1 1 A 81 81 PHE H H 108 8.050 8.542 -0.492 1 1 1011 . 7 1 1 A 81 81 PHE HA H 108 4.350 3.984 0.366 1 1 1019 . 7 1 1 A 81 81 PHE C C 108 179.570 178.971 0.599 1 1 1020 . 7 1 1 A 81 81 PHE CA C 108 61.070 60.693 0.377 1 1 1021 . 7 1 1 A 81 81 PHE CB C 108 37.010 38.084 -1.074 1 1 1027 . 7 1 1 A 81 81 PHE N N 108 116.720 117.733 -1.013 1 1 1028 . 7 1 1 A 82 82 SER H H 109 8.410 8.547 -0.137 1 1 1029 . 7 1 1 A 82 82 SER HA H 109 4.360 4.357 0.003 1 1 1032 . 7 1 1 A 82 82 SER C C 109 176.200 177.560 -1.360 1 1 1033 . 7 1 1 A 82 82 SER CA C 109 61.830 61.464 0.366 1 1 1034 . 7 1 1 A 82 82 SER CB C 109 62.570 62.651 -0.081 1 1 1035 . 7 1 1 A 82 82 SER N N 109 118.120 116.597 1.523 1 1 1036 . 7 1 1 A 83 83 MET H H 110 8.420 8.155 0.265 1 1 1037 . 7 1 1 A 83 83 MET HA H 110 4.210 4.136 0.074 1 1 1043 . 7 1 1 A 83 83 MET C C 110 178.260 178.702 -0.442 1 1 1044 . 7 1 1 A 83 83 MET CA C 110 59.170 58.983 0.187 1 1 1045 . 7 1 1 A 83 83 MET CB C 110 31.240 32.665 -1.425 1 1 1047 . 7 1 1 A 83 83 MET N N 110 123.040 120.484 2.556 1 1 1048 . 7 1 1 A 84 84 LEU H H 111 8.080 8.146 -0.066 1 1 1049 . 7 1 1 A 84 84 LEU HA H 111 4.140 4.055 0.085 1 1 1059 . 7 1 1 A 84 84 LEU C C 111 178.030 179.237 -1.207 1 1 1060 . 7 1 1 A 84 84 LEU CA C 111 57.390 58.290 -0.900 1 1 1061 . 7 1 1 A 84 84 LEU CB C 111 41.430 41.860 -0.430 1 1 1065 . 7 1 1 A 84 84 LEU N N 111 117.910 119.820 -1.910 1 1 1066 . 7 1 1 A 85 85 LYS H H 112 7.640 7.580 0.060 1 1 1067 . 7 1 1 A 85 85 LYS HA H 112 4.110 4.180 -0.070 1 1 1076 . 7 1 1 A 85 85 LYS C C 112 177.650 177.579 0.071 1 1 1077 . 7 1 1 A 85 85 LYS CA C 112 58.750 59.216 -0.466 1 1 1078 . 7 1 1 A 85 85 LYS CB C 112 32.240 32.240 0.000 1 1 1082 . 7 1 1 A 85 85 LYS N N 112 119.340 117.812 1.528 1 1 1083 . 7 1 1 A 86 86 ASP H H 113 7.350 7.610 -0.260 1 1 1084 . 7 1 1 A 86 86 ASP HA H 113 4.570 4.710 -0.140 1 1 1087 . 7 1 1 A 86 86 ASP C C 113 176.950 176.496 0.454 1 1 1088 . 7 1 1 A 86 86 ASP CA C 113 55.770 54.145 1.625 1 1 1089 . 7 1 1 A 86 86 ASP CB C 113 42.420 41.442 0.978 1 1 1090 . 7 1 1 A 86 86 ASP N N 113 117.210 117.377 -0.167 1 1 1091 . 7 1 1 A 87 87 GLY H H 114 7.760 7.821 -0.061 1 1 1092 . 7 1 1 A 87 87 GLY HA2 H 114 4.380 4.029 0.351 1 1 1093 . 7 1 1 A 87 87 GLY HA3 H 114 4.380 4.047 0.333 1 1 1094 . 7 1 1 A 87 87 GLY C C 114 173.000 174.146 -1.146 1 1 1095 . 7 1 1 A 87 87 GLY CA C 114 44.490 45.311 -0.821 1 1 1096 . 7 1 1 A 87 87 GLY N N 114 107.740 106.830 0.910 1 1 1097 . 7 1 1 A 88 88 VAL H H 115 9.350 8.908 0.442 1 1 1098 . 7 1 1 A 88 88 VAL HA H 115 4.960 4.942 0.018 1 1 1106 . 7 1 1 A 88 88 VAL C C 115 173.100 174.506 -1.406 1 1 1107 . 7 1 1 A 88 88 VAL CA C 115 58.650 62.230 -3.580 1 1 1108 . 7 1 1 A 88 88 VAL CB C 115 35.910 33.301 2.609 1 1 1111 . 7 1 1 A 88 88 VAL N N 115 118.050 124.838 -6.788 1 1 1112 . 7 1 1 A 89 89 VAL H H 116 9.000 9.707 -0.707 1 1 1113 . 7 1 1 A 89 89 VAL HA H 116 4.550 4.850 -0.300 1 1 1121 . 7 1 1 A 89 89 VAL C C 116 174.640 174.974 -0.334 1 1 1122 . 7 1 1 A 89 89 VAL CA C 116 61.360 60.105 1.255 1 1 1123 . 7 1 1 A 89 89 VAL CB C 116 33.760 34.108 -0.348 1 1 1126 . 7 1 1 A 89 89 VAL N N 116 121.030 128.692 -7.662 1 1 1127 . 7 1 1 A 90 90 LEU H H 117 8.950 8.630 0.320 1 1 1128 . 7 1 1 A 90 90 LEU HA H 117 5.160 5.382 -0.222 1 1 1138 . 7 1 1 A 90 90 LEU C C 117 176.150 176.735 -0.585 1 1 1139 . 7 1 1 A 90 90 LEU CA C 117 52.230 54.798 -2.568 1 1 1140 . 7 1 1 A 90 90 LEU CB C 117 44.280 41.097 3.183 1 1 1144 . 7 1 1 A 90 90 LEU N N 117 125.420 129.428 -4.008 1 1 1145 . 7 1 1 A 91 91 LYS H H 118 8.280 8.658 -0.378 1 1 1146 . 7 1 1 A 91 91 LYS HA H 118 4.900 4.593 0.307 1 1 1155 . 7 1 1 A 91 91 LYS C C 118 175.300 175.394 -0.094 1 1 1156 . 7 1 1 A 91 91 LYS CA C 118 53.810 55.433 -1.623 1 1 1157 . 7 1 1 A 91 91 LYS CB C 118 36.840 36.811 0.029 1 1 1161 . 7 1 1 A 91 91 LYS N N 118 119.720 122.022 -2.302 1 1 1162 . 7 1 1 A 92 92 GLY H H 119 9.030 8.223 0.807 1 1 1163 . 7 1 1 A 92 92 GLY HA2 H 119 3.750 4.217 -0.467 1 1 1164 . 7 1 1 A 92 92 GLY HA3 H 119 3.750 4.221 -0.471 1 1 1165 . 7 1 1 A 92 92 GLY CA C 119 43.980 45.461 -1.481 1 1 1166 . 7 1 1 A 92 92 GLY N N 119 109.730 109.121 0.609 1 1 1167 . 7 1 1 A 94 94 LYS HA H 121 4.760 4.434 0.326 1 1 1168 . 7 1 1 A 95 95 ILE H H 122 7.700 8.535 -0.835 1 1 1169 . 7 1 1 A 95 95 ILE HA H 122 4.160 4.928 -0.768 1 1 1179 . 7 1 1 A 95 95 ILE CA C 122 61.270 58.995 2.275 1 1 1180 . 7 1 1 A 95 95 ILE CB C 122 37.590 41.839 -4.249 1 1 1184 . 7 1 1 A 95 95 ILE N N 122 117.400 124.227 -6.827 1 1 1185 . 7 1 1 A 98 98 THR HA H 125 5.810 4.812 0.998 1 1 1190 . 7 1 1 A 98 98 THR CA C 125 61.740 61.023 0.717 1 1 1191 . 7 1 1 A 98 98 THR CB C 125 73.450 72.746 0.704 1 1 1193 . 7 1 1 A 99 99 ILE HA H 126 4.630 4.729 -0.099 1 1 1203 . 7 1 1 A 99 99 ILE C C 126 174.430 175.103 -0.673 1 1 1204 . 7 1 1 A 99 99 ILE CA C 126 59.980 59.701 0.279 1 1 1205 . 7 1 1 A 99 99 ILE CB C 126 40.970 39.207 1.763 1 1 1209 . 7 1 1 A 100 100 LEU H H 127 9.530 8.845 0.685 1 1 1210 . 7 1 1 A 100 100 LEU HA H 127 4.420 5.072 -0.652 1 1 1220 . 7 1 1 A 100 100 LEU C C 127 174.930 175.449 -0.519 1 1 1221 . 7 1 1 A 100 100 LEU CA C 127 54.030 53.583 0.447 1 1 1222 . 7 1 1 A 100 100 LEU CB C 127 42.520 45.270 -2.750 1 1 1226 . 7 1 1 A 100 100 LEU N N 127 127.300 126.020 1.280 1 1 1227 . 7 1 1 A 101 101 ILE H H 128 8.260 9.237 -0.977 1 1 1228 . 7 1 1 A 101 101 ILE HA H 128 4.320 4.536 -0.216 1 1 1238 . 7 1 1 A 101 101 ILE C C 128 173.880 174.300 -0.420 1 1 1239 . 7 1 1 A 101 101 ILE CA C 128 60.900 60.286 0.614 1 1 1240 . 7 1 1 A 101 101 ILE CB C 128 37.410 38.593 -1.183 1 1 1244 . 7 1 1 A 101 101 ILE N N 128 119.990 123.583 -3.593 1 1 1245 . 7 1 1 A 102 102 GLU H H 129 9.580 9.045 0.535 1 1 1246 . 7 1 1 A 102 102 GLU HA H 129 5.120 5.405 -0.285 1 1 1251 . 7 1 1 A 102 102 GLU C C 129 174.240 174.889 -0.649 1 1 1252 . 7 1 1 A 102 102 GLU CA C 129 54.050 54.905 -0.855 1 1 1253 . 7 1 1 A 102 102 GLU CB C 129 33.630 33.432 0.198 1 1 1255 . 7 1 1 A 102 102 GLU N N 129 129.780 129.816 -0.036 1 1 1256 . 7 1 1 A 103 103 LYS H H 130 8.680 8.562 0.118 1 1 1257 . 7 1 1 A 103 103 LYS HA H 130 4.720 4.781 -0.061 1 1 1264 . 7 1 1 A 103 103 LYS C C 130 175.280 174.759 0.521 1 1 1265 . 7 1 1 A 103 103 LYS CA C 130 55.190 55.267 -0.077 1 1 1266 . 7 1 1 A 103 103 LYS CB C 130 36.750 35.597 1.153 1 1 1270 . 7 1 1 A 103 103 LYS N N 130 123.420 124.154 -0.734 1 1 1271 . 7 1 1 A 104 104 ASP H H 131 9.530 9.274 0.256 1 1 1272 . 7 1 1 A 104 104 ASP HA H 131 4.290 4.354 -0.064 1 1 1275 . 7 1 1 A 104 104 ASP C C 131 176.090 176.197 -0.107 1 1 1276 . 7 1 1 A 104 104 ASP CA C 131 55.370 55.346 0.024 1 1 1277 . 7 1 1 A 104 104 ASP CB C 131 39.260 39.246 0.014 1 1 1278 . 7 1 1 A 104 104 ASP N N 131 127.440 120.353 7.087 1 1 1279 . 7 1 1 A 105 105 GLY H H 132 8.970 8.442 0.528 1 1 1280 . 7 1 1 A 105 105 GLY HA2 H 132 4.090 3.834 0.256 1 1 1281 . 7 1 1 A 105 105 GLY HA3 H 132 3.550 3.835 -0.285 1 1 1282 . 7 1 1 A 105 105 GLY C C 132 173.130 173.546 -0.416 1 1 1283 . 7 1 1 A 105 105 GLY CA C 132 45.230 45.534 -0.304 1 1 1284 . 7 1 1 A 105 105 GLY N N 132 103.820 105.117 -1.297 1 1 1285 . 7 1 1 A 106 106 GLU H H 133 7.720 7.708 0.012 1 1 1286 . 7 1 1 A 106 106 GLU HA H 133 4.720 4.887 -0.167 1 1 1291 . 7 1 1 A 106 106 GLU C C 133 174.940 174.643 0.297 1 1 1292 . 7 1 1 A 106 106 GLU CA C 133 53.770 54.439 -0.669 1 1 1293 . 7 1 1 A 106 106 GLU CB C 133 32.820 32.852 -0.032 1 1 1295 . 7 1 1 A 106 106 GLU N N 133 120.200 115.507 4.693 1 1 1296 . 7 1 1 A 107 107 VAL H H 134 8.900 8.740 0.160 1 1 1297 . 7 1 1 A 107 107 VAL HA H 134 3.760 4.414 -0.654 1 1 1305 . 7 1 1 A 107 107 VAL C C 134 175.340 176.182 -0.842 1 1 1306 . 7 1 1 A 107 107 VAL CA C 134 64.230 61.741 2.489 1 1 1307 . 7 1 1 A 107 107 VAL CB C 134 31.160 32.595 -1.435 1 1 1310 . 7 1 1 A 107 107 VAL N N 134 125.990 122.594 3.396 1 1 1311 . 7 1 1 A 108 108 LYS H H 135 9.250 8.570 0.680 1 1 1312 . 7 1 1 A 108 108 LYS HA H 135 4.810 4.499 0.311 1 1 1321 . 7 1 1 A 108 108 LYS C C 135 174.390 175.606 -1.216 1 1 1322 . 7 1 1 A 108 108 LYS CA C 135 54.740 55.765 -1.025 1 1 1323 . 7 1 1 A 108 108 LYS CB C 135 34.690 33.721 0.969 1 1 1327 . 7 1 1 A 108 108 LYS N N 135 126.060 124.317 1.743 1 1 1328 . 7 1 1 A 109 109 LEU H H 136 7.690 7.056 0.634 1 1 1329 . 7 1 1 A 109 109 LEU HA H 136 4.820 5.188 -0.368 1 1 1339 . 7 1 1 A 109 109 LEU C C 136 172.450 174.476 -2.026 1 1 1340 . 7 1 1 A 109 109 LEU CA C 136 53.250 53.658 -0.408 1 1 1341 . 7 1 1 A 109 109 LEU CB C 136 47.800 45.376 2.424 1 1 1345 . 7 1 1 A 109 109 LEU N N 136 116.670 119.901 -3.231 1 1 1346 . 7 1 1 A 110 110 LYS H H 137 9.170 8.747 0.423 1 1 1347 . 7 1 1 A 110 110 LYS HA H 137 5.050 4.888 0.162 1 1 1356 . 7 1 1 A 110 110 LYS C C 137 172.760 174.840 -2.080 1 1 1357 . 7 1 1 A 110 110 LYS CA C 137 54.090 54.670 -0.580 1 1 1358 . 7 1 1 A 110 110 LYS CB C 137 36.560 37.053 -0.493 1 1 1362 . 7 1 1 A 110 110 LYS N N 137 117.050 121.863 -4.813 1 1 1363 . 7 1 1 A 111 111 LEU H H 138 9.400 8.990 0.410 1 1 1364 . 7 1 1 A 111 111 LEU HA H 138 5.250 4.812 0.438 1 1 1374 . 7 1 1 A 111 111 LEU C C 138 176.470 176.654 -0.184 1 1 1375 . 7 1 1 A 111 111 LEU CA C 138 52.230 53.723 -1.493 1 1 1376 . 7 1 1 A 111 111 LEU CB C 138 42.810 41.811 0.999 1 1 1380 . 7 1 1 A 111 111 LEU N N 138 121.800 121.769 0.031 1 1 1381 . 7 1 1 A 112 112 ILE H H 139 9.080 8.934 0.146 1 1 1382 . 7 1 1 A 112 112 ILE HA H 139 5.420 4.404 1.016 1 1 1392 . 7 1 1 A 112 112 ILE C C 139 175.710 174.717 0.993 1 1 1393 . 7 1 1 A 112 112 ILE CA C 139 59.170 62.976 -3.806 1 1 1394 . 7 1 1 A 112 112 ILE CB C 139 41.010 37.235 3.775 1 1 1398 . 7 1 1 A 112 112 ILE N N 139 120.350 119.256 1.094 1 1 1399 . 7 1 1 A 113 113 ARG H H 140 8.550 8.755 -0.205 1 1 1400 . 7 1 1 A 113 113 ARG HA H 140 3.940 4.424 -0.484 1 1 1403 . 7 1 1 A 113 113 ARG C C 140 176.030 176.491 -0.461 1 1 1404 . 7 1 1 A 113 113 ARG CA C 140 56.180 56.212 -0.032 1 1 1405 . 7 1 1 A 113 113 ARG CB C 140 30.770 31.380 -0.610 1 1 1408 . 7 1 1 A 113 113 ARG N N 140 127.710 126.376 1.334 1 1 1409 . 7 1 1 A 114 114 GLY H H 141 8.530 8.501 0.029 1 1 1410 . 7 1 1 A 114 114 GLY HA2 H 141 4.000 4.180 -0.180 1 1 1411 . 7 1 1 A 114 114 GLY HA3 H 141 3.820 4.183 -0.363 1 1 1412 . 7 1 1 A 114 114 GLY C C 141 172.650 173.252 -0.602 1 1 1413 . 7 1 1 A 114 114 GLY CA C 141 45.100 44.675 0.425 1 1 1414 . 7 1 1 A 114 114 GLY N N 141 111.410 108.648 2.762 1 1 1 . 8 1 1 A 2 2 SER HA H 29 4.540 4.611 -0.071 1 1 4 . 8 1 1 A 2 2 SER C C 29 174.370 174.848 -0.478 1 1 5 . 8 1 1 A 2 2 SER CA C 29 58.380 58.726 -0.346 1 1 6 . 8 1 1 A 2 2 SER CB C 29 63.670 64.079 -0.409 1 1 7 . 8 1 1 A 3 3 SER H H 30 8.530 7.937 0.593 1 1 8 . 8 1 1 A 3 3 SER HA H 30 4.480 4.536 -0.056 1 1 11 . 8 1 1 A 3 3 SER C C 30 174.610 174.099 0.511 1 1 12 . 8 1 1 A 3 3 SER CA C 30 58.380 57.901 0.479 1 1 13 . 8 1 1 A 3 3 SER CB C 30 63.690 62.467 1.223 1 1 14 . 8 1 1 A 3 3 SER N N 30 117.760 114.150 3.610 1 1 15 . 8 1 1 A 4 4 ASN H H 31 8.600 8.248 0.352 1 1 16 . 8 1 1 A 4 4 ASN HA H 31 4.710 5.079 -0.369 1 1 21 . 8 1 1 A 4 4 ASN C C 31 175.840 175.377 0.463 1 1 22 . 8 1 1 A 4 4 ASN CA C 31 53.880 52.148 1.732 1 1 23 . 8 1 1 A 4 4 ASN CB C 31 38.520 39.269 -0.749 1 1 24 . 8 1 1 A 4 4 ASN N N 31 120.910 121.934 -1.024 1 1 26 . 8 1 1 A 5 5 SER H H 32 8.360 7.640 0.720 1 1 27 . 8 1 1 A 5 5 SER HA H 32 4.420 4.257 0.163 1 1 30 . 8 1 1 A 5 5 SER C C 32 174.700 174.305 0.395 1 1 31 . 8 1 1 A 5 5 SER CA C 32 59.310 60.838 -1.528 1 1 32 . 8 1 1 A 5 5 SER CB C 32 63.410 63.707 -0.297 1 1 33 . 8 1 1 A 5 5 SER N N 32 115.920 117.871 -1.951 1 1 34 . 8 1 1 A 6 6 GLU H H 33 8.370 8.116 0.254 1 1 35 . 8 1 1 A 6 6 GLU HA H 33 4.530 3.849 0.681 1 1 40 . 8 1 1 A 6 6 GLU C C 33 176.390 175.018 1.372 1 1 41 . 8 1 1 A 6 6 GLU CA C 33 56.510 57.356 -0.846 1 1 42 . 8 1 1 A 6 6 GLU CB C 33 29.850 27.299 2.551 1 1 44 . 8 1 1 A 6 6 GLU N N 33 121.670 120.569 1.101 1 1 45 . 8 1 1 A 7 7 LYS H H 34 8.120 7.392 0.728 1 1 46 . 8 1 1 A 7 7 LYS HA H 34 4.370 4.315 0.055 1 1 55 . 8 1 1 A 7 7 LYS C C 34 176.060 174.921 1.139 1 1 56 . 8 1 1 A 7 7 LYS CA C 34 56.140 54.358 1.782 1 1 57 . 8 1 1 A 7 7 LYS CB C 34 33.200 32.856 0.344 1 1 61 . 8 1 1 A 7 7 LYS N N 34 121.020 118.068 2.952 1 1 62 . 8 1 1 A 8 8 GLU H H 35 8.550 8.387 0.163 1 1 63 . 8 1 1 A 8 8 GLU HA H 35 4.830 4.396 0.434 1 1 68 . 8 1 1 A 8 8 GLU C C 35 175.050 175.324 -0.274 1 1 69 . 8 1 1 A 8 8 GLU CA C 35 56.390 56.023 0.367 1 1 70 . 8 1 1 A 8 8 GLU CB C 35 31.340 29.623 1.717 1 1 72 . 8 1 1 A 8 8 GLU N N 35 122.450 123.832 -1.382 1 1 73 . 8 1 1 A 9 9 TRP H H 36 9.680 8.600 1.080 1 1 74 . 8 1 1 A 9 9 TRP HA H 36 4.860 4.888 -0.028 1 1 80 . 8 1 1 A 9 9 TRP C C 36 175.390 176.672 -1.282 1 1 81 . 8 1 1 A 9 9 TRP CA C 36 55.890 57.869 -1.979 1 1 82 . 8 1 1 A 9 9 TRP CB C 36 30.810 30.650 0.160 1 1 85 . 8 1 1 A 9 9 TRP N N 36 122.800 127.438 -4.638 1 1 87 . 8 1 1 A 10 10 HIS H H 37 9.690 9.126 0.564 1 1 88 . 8 1 1 A 10 10 HIS HA H 37 4.990 5.327 -0.337 1 1 93 . 8 1 1 A 10 10 HIS C C 37 174.840 174.671 0.169 1 1 94 . 8 1 1 A 10 10 HIS CA C 37 54.720 55.405 -0.685 1 1 95 . 8 1 1 A 10 10 HIS CB C 37 29.840 31.644 -1.804 1 1 98 . 8 1 1 A 10 10 HIS N N 37 120.400 120.792 -0.392 1 1 99 . 8 1 1 A 11 11 ILE H H 38 7.740 8.630 -0.890 1 1 100 . 8 1 1 A 11 11 ILE HA H 38 4.360 4.709 -0.349 1 1 110 . 8 1 1 A 11 11 ILE C C 38 175.030 175.566 -0.536 1 1 111 . 8 1 1 A 11 11 ILE CA C 38 62.110 61.971 0.139 1 1 112 . 8 1 1 A 11 11 ILE CB C 38 37.590 37.863 -0.273 1 1 116 . 8 1 1 A 11 11 ILE N N 38 121.700 124.622 -2.922 1 1 117 . 8 1 1 A 12 12 VAL H H 39 9.370 9.395 -0.025 1 1 118 . 8 1 1 A 12 12 VAL HA H 39 4.690 4.541 0.149 1 1 126 . 8 1 1 A 12 12 VAL CA C 39 58.500 58.517 -0.017 1 1 127 . 8 1 1 A 12 12 VAL CB C 39 34.970 34.671 0.299 1 1 130 . 8 1 1 A 12 12 VAL N N 39 130.310 127.467 2.843 1 1 131 . 8 1 1 A 13 13 PRO HA H 40 4.470 4.898 -0.428 1 1 138 . 8 1 1 A 13 13 PRO C C 40 175.070 176.253 -1.183 1 1 139 . 8 1 1 A 13 13 PRO CA C 40 63.130 62.144 0.986 1 1 140 . 8 1 1 A 13 13 PRO CB C 40 33.580 32.233 1.347 1 1 143 . 8 1 1 A 14 14 VAL H H 41 7.970 9.034 -1.064 1 1 144 . 8 1 1 A 14 14 VAL HA H 41 4.170 4.118 0.052 1 1 152 . 8 1 1 A 14 14 VAL C C 41 175.360 175.990 -0.630 1 1 153 . 8 1 1 A 14 14 VAL CA C 41 63.600 63.495 0.105 1 1 154 . 8 1 1 A 14 14 VAL CB C 41 34.050 32.634 1.416 1 1 157 . 8 1 1 A 14 14 VAL N N 41 119.000 118.354 0.646 1 1 158 . 8 1 1 A 15 15 SER H H 42 8.040 7.709 0.331 1 1 159 . 8 1 1 A 15 15 SER HA H 42 4.530 4.391 0.139 1 1 162 . 8 1 1 A 15 15 SER C C 42 176.240 175.053 1.187 1 1 163 . 8 1 1 A 15 15 SER CA C 42 57.620 57.052 0.568 1 1 164 . 8 1 1 A 15 15 SER CB C 42 64.250 64.568 -0.318 1 1 165 . 8 1 1 A 15 15 SER N N 42 113.900 115.400 -1.500 1 1 166 . 8 1 1 A 16 16 LYS H H 43 8.690 8.622 0.068 1 1 167 . 8 1 1 A 16 16 LYS HA H 43 2.830 3.799 -0.969 1 1 176 . 8 1 1 A 16 16 LYS C C 43 177.790 178.295 -0.505 1 1 177 . 8 1 1 A 16 16 LYS CA C 43 58.100 58.882 -0.782 1 1 178 . 8 1 1 A 16 16 LYS CB C 43 31.840 31.917 -0.077 1 1 182 . 8 1 1 A 16 16 LYS N N 43 124.940 124.033 0.907 1 1 183 . 8 1 1 A 17 17 ASP H H 44 8.590 7.882 0.708 1 1 184 . 8 1 1 A 17 17 ASP HA H 44 4.100 4.301 -0.201 1 1 187 . 8 1 1 A 17 17 ASP C C 44 176.670 176.913 -0.243 1 1 188 . 8 1 1 A 17 17 ASP CA C 44 55.580 56.121 -0.541 1 1 189 . 8 1 1 A 17 17 ASP CB C 44 39.300 40.381 -1.081 1 1 190 . 8 1 1 A 17 17 ASP N N 44 118.140 120.120 -1.980 1 1 191 . 8 1 1 A 18 18 TYR H H 45 7.870 8.041 -0.171 1 1 192 . 8 1 1 A 18 18 TYR HA H 45 4.550 4.644 -0.094 1 1 199 . 8 1 1 A 18 18 TYR C C 45 174.860 176.618 -1.758 1 1 200 . 8 1 1 A 18 18 TYR CA C 45 58.510 57.958 0.552 1 1 201 . 8 1 1 A 18 18 TYR CB C 45 39.470 39.048 0.422 1 1 206 . 8 1 1 A 18 18 TYR N N 45 115.260 116.465 -1.205 1 1 207 . 8 1 1 A 19 19 PHE H H 46 7.430 7.917 -0.487 1 1 208 . 8 1 1 A 19 19 PHE HA H 46 4.360 4.470 -0.110 1 1 215 . 8 1 1 A 19 19 PHE C C 46 176.950 176.972 -0.022 1 1 216 . 8 1 1 A 19 19 PHE CA C 46 59.340 60.790 -1.450 1 1 217 . 8 1 1 A 19 19 PHE CB C 46 37.870 38.113 -0.243 1 1 222 . 8 1 1 A 19 19 PHE N N 46 120.020 120.780 -0.760 1 1 223 . 8 1 1 A 20 20 SER H H 47 8.620 7.855 0.765 1 1 224 . 8 1 1 A 20 20 SER HA H 47 4.430 4.647 -0.217 1 1 227 . 8 1 1 A 20 20 SER C C 47 173.980 174.897 -0.917 1 1 228 . 8 1 1 A 20 20 SER CA C 47 58.660 58.248 0.412 1 1 229 . 8 1 1 A 20 20 SER CB C 47 62.850 63.983 -1.133 1 1 230 . 8 1 1 A 20 20 SER N N 47 111.500 111.859 -0.359 1 1 231 . 8 1 1 A 21 21 ILE H H 48 7.660 7.758 -0.098 1 1 232 . 8 1 1 A 21 21 ILE HA H 48 4.110 4.232 -0.122 1 1 242 . 8 1 1 A 21 21 ILE CA C 48 59.780 60.755 -0.975 1 1 243 . 8 1 1 A 21 21 ILE CB C 48 38.330 38.056 0.274 1 1 247 . 8 1 1 A 21 21 ILE N N 48 119.380 124.249 -4.869 1 1 248 . 8 1 1 A 22 22 PRO HA H 49 4.500 4.557 -0.057 1 1 255 . 8 1 1 A 22 22 PRO C C 49 176.110 177.497 -1.387 1 1 256 . 8 1 1 A 22 22 PRO CA C 49 62.880 62.598 0.282 1 1 257 . 8 1 1 A 22 22 PRO CB C 49 32.570 33.389 -0.819 1 1 260 . 8 1 1 A 23 23 ASN H H 50 8.630 8.816 -0.186 1 1 261 . 8 1 1 A 23 23 ASN HA H 50 4.800 4.526 0.274 1 1 266 . 8 1 1 A 23 23 ASN C C 50 176.580 175.014 1.566 1 1 267 . 8 1 1 A 23 23 ASN CA C 50 53.610 56.158 -2.548 1 1 268 . 8 1 1 A 23 23 ASN CB C 50 38.490 38.793 -0.303 1 1 269 . 8 1 1 A 23 23 ASN N N 50 117.590 118.529 -0.939 1 1 271 . 8 1 1 A 24 24 ASP H H 51 8.580 7.859 0.721 1 1 272 . 8 1 1 A 24 24 ASP HA H 51 4.760 5.004 -0.244 1 1 275 . 8 1 1 A 24 24 ASP C C 51 175.090 174.056 1.034 1 1 276 . 8 1 1 A 24 24 ASP CA C 51 52.500 54.283 -1.783 1 1 277 . 8 1 1 A 24 24 ASP CB C 51 39.840 42.838 -2.998 1 1 278 . 8 1 1 A 24 24 ASP N N 51 120.490 117.766 2.724 1 1 279 . 8 1 1 A 25 25 LEU H H 52 8.400 9.066 -0.666 1 1 280 . 8 1 1 A 25 25 LEU HA H 52 4.390 5.020 -0.630 1 1 290 . 8 1 1 A 25 25 LEU C C 52 176.340 175.651 0.689 1 1 291 . 8 1 1 A 25 25 LEU CA C 52 55.460 53.828 1.632 1 1 292 . 8 1 1 A 25 25 LEU CB C 52 43.270 43.988 -0.718 1 1 296 . 8 1 1 A 25 25 LEU N N 52 119.530 127.285 -7.755 1 1 297 . 8 1 1 A 26 26 LEU H H 53 8.840 9.534 -0.694 1 1 298 . 8 1 1 A 26 26 LEU HA H 53 5.140 5.056 0.084 1 1 308 . 8 1 1 A 26 26 LEU C C 53 174.620 174.991 -0.371 1 1 309 . 8 1 1 A 26 26 LEU CA C 53 52.840 53.099 -0.259 1 1 310 . 8 1 1 A 26 26 LEU CB C 53 44.070 42.706 1.364 1 1 314 . 8 1 1 A 26 26 LEU N N 53 126.610 123.564 3.046 1 1 315 . 8 1 1 A 27 27 TRP H H 54 9.230 9.614 -0.384 1 1 316 . 8 1 1 A 27 27 TRP HA H 54 5.570 5.289 0.281 1 1 325 . 8 1 1 A 27 27 TRP C C 54 175.740 174.677 1.063 1 1 326 . 8 1 1 A 27 27 TRP CA C 54 54.510 55.173 -0.663 1 1 327 . 8 1 1 A 27 27 TRP CB C 54 31.710 32.502 -0.792 1 1 333 . 8 1 1 A 27 27 TRP N N 54 122.650 128.222 -5.572 1 1 335 . 8 1 1 A 28 28 SER H H 55 9.240 9.016 0.224 1 1 336 . 8 1 1 A 28 28 SER HA H 55 5.490 5.042 0.448 1 1 339 . 8 1 1 A 28 28 SER C C 55 173.440 173.382 0.058 1 1 340 . 8 1 1 A 28 28 SER CA C 55 56.990 56.385 0.605 1 1 341 . 8 1 1 A 28 28 SER CB C 55 66.150 65.363 0.787 1 1 342 . 8 1 1 A 28 28 SER N N 55 121.970 124.180 -2.210 1 1 343 . 8 1 1 A 29 29 PHE H H 56 9.590 9.358 0.232 1 1 344 . 8 1 1 A 29 29 PHE HA H 56 5.150 4.898 0.252 1 1 352 . 8 1 1 A 29 29 PHE C C 56 175.810 175.471 0.339 1 1 353 . 8 1 1 A 29 29 PHE CA C 56 57.180 59.275 -2.095 1 1 354 . 8 1 1 A 29 29 PHE CB C 56 42.370 39.489 2.881 1 1 360 . 8 1 1 A 29 29 PHE N N 56 121.420 127.288 -5.868 1 1 361 . 8 1 1 A 30 30 ASN H H 57 9.400 9.056 0.344 1 1 362 . 8 1 1 A 30 30 ASN HA H 57 5.220 5.012 0.208 1 1 367 . 8 1 1 A 30 30 ASN C C 57 176.540 176.334 0.206 1 1 368 . 8 1 1 A 30 30 ASN CA C 57 52.320 53.511 -1.191 1 1 369 . 8 1 1 A 30 30 ASN CB C 57 38.520 38.188 0.332 1 1 370 . 8 1 1 A 30 30 ASN N N 57 120.660 124.000 -3.340 1 1 372 . 8 1 1 A 31 31 THR H H 58 9.180 8.171 1.009 1 1 373 . 8 1 1 A 31 31 THR HA H 58 4.800 4.743 0.057 1 1 378 . 8 1 1 A 31 31 THR C C 58 176.950 175.798 1.152 1 1 379 . 8 1 1 A 31 31 THR CA C 58 63.430 62.210 1.220 1 1 380 . 8 1 1 A 31 31 THR CB C 58 68.110 70.168 -2.058 1 1 382 . 8 1 1 A 31 31 THR N N 58 114.630 115.417 -0.787 1 1 383 . 8 1 1 A 32 32 THR H H 59 8.450 8.148 0.302 1 1 384 . 8 1 1 A 32 32 THR HA H 59 4.130 4.224 -0.094 1 1 389 . 8 1 1 A 32 32 THR C C 59 175.130 176.015 -0.885 1 1 390 . 8 1 1 A 32 32 THR CA C 59 65.550 65.406 0.144 1 1 391 . 8 1 1 A 32 32 THR CB C 59 68.200 69.359 -1.159 1 1 393 . 8 1 1 A 32 32 THR N N 59 120.020 116.604 3.416 1 1 394 . 8 1 1 A 33 33 ASN H H 60 7.500 7.806 -0.306 1 1 395 . 8 1 1 A 33 33 ASN HA H 60 4.690 4.862 -0.172 1 1 400 . 8 1 1 A 33 33 ASN C C 60 174.230 175.101 -0.871 1 1 401 . 8 1 1 A 33 33 ASN CA C 60 51.650 51.920 -0.270 1 1 402 . 8 1 1 A 33 33 ASN CB C 60 37.870 38.935 -1.065 1 1 403 . 8 1 1 A 33 33 ASN N N 60 117.490 113.740 3.750 1 1 405 . 8 1 1 A 34 34 LYS H H 61 7.580 8.052 -0.472 1 1 406 . 8 1 1 A 34 34 LYS HA H 61 3.500 5.163 -1.663 1 1 415 . 8 1 1 A 34 34 LYS C C 61 172.880 175.023 -2.143 1 1 416 . 8 1 1 A 34 34 LYS CA C 61 57.160 56.769 0.391 1 1 417 . 8 1 1 A 34 34 LYS CB C 61 28.540 31.438 -2.898 1 1 421 . 8 1 1 A 34 34 LYS N N 61 118.030 115.906 2.124 1 1 422 . 8 1 1 A 35 35 SER H H 62 8.560 8.963 -0.403 1 1 423 . 8 1 1 A 35 35 SER HA H 62 5.670 5.021 0.649 1 1 426 . 8 1 1 A 35 35 SER C C 62 173.510 172.185 1.325 1 1 427 . 8 1 1 A 35 35 SER CA C 62 56.110 56.668 -0.558 1 1 428 . 8 1 1 A 35 35 SER CB C 62 67.800 64.846 2.954 1 1 429 . 8 1 1 A 35 35 SER N N 62 109.720 118.902 -9.182 1 1 430 . 8 1 1 A 36 36 ILE H H 63 8.750 8.730 0.020 1 1 431 . 8 1 1 A 36 36 ILE HA H 63 4.940 4.968 -0.028 1 1 441 . 8 1 1 A 36 36 ILE C C 63 174.660 174.936 -0.276 1 1 442 . 8 1 1 A 36 36 ILE CA C 63 58.180 60.089 -1.909 1 1 443 . 8 1 1 A 36 36 ILE CB C 63 40.660 40.713 -0.053 1 1 447 . 8 1 1 A 36 36 ILE N N 63 117.490 122.508 -5.018 1 1 448 . 8 1 1 A 37 37 ASN H H 64 8.400 9.259 -0.859 1 1 449 . 8 1 1 A 37 37 ASN HA H 64 5.650 5.779 -0.129 1 1 454 . 8 1 1 A 37 37 ASN C C 64 173.490 174.292 -0.802 1 1 455 . 8 1 1 A 37 37 ASN CA C 64 51.670 51.914 -0.244 1 1 456 . 8 1 1 A 37 37 ASN CB C 64 41.900 40.432 1.468 1 1 457 . 8 1 1 A 37 37 ASN N N 64 122.180 125.664 -3.484 1 1 459 . 8 1 1 A 38 38 VAL H H 65 8.900 8.897 0.003 1 1 460 . 8 1 1 A 38 38 VAL HA H 65 5.540 4.864 0.676 1 1 468 . 8 1 1 A 38 38 VAL C C 65 174.590 175.075 -0.485 1 1 469 . 8 1 1 A 38 38 VAL CA C 65 60.060 61.147 -1.087 1 1 470 . 8 1 1 A 38 38 VAL CB C 65 34.870 32.704 2.166 1 1 473 . 8 1 1 A 38 38 VAL N N 65 122.060 125.355 -3.295 1 1 474 . 8 1 1 A 39 39 TYR H H 66 8.910 9.025 -0.115 1 1 475 . 8 1 1 A 39 39 TYR HA H 66 5.490 5.641 -0.151 1 1 482 . 8 1 1 A 39 39 TYR C C 66 172.810 173.444 -0.634 1 1 483 . 8 1 1 A 39 39 TYR CA C 66 56.220 55.806 0.414 1 1 484 . 8 1 1 A 39 39 TYR CB C 66 40.620 42.050 -1.430 1 1 489 . 8 1 1 A 39 39 TYR N N 66 123.530 124.507 -0.977 1 1 490 . 8 1 1 A 40 40 SER H H 67 8.970 9.463 -0.493 1 1 491 . 8 1 1 A 40 40 SER HA H 67 4.780 4.889 -0.109 1 1 495 . 8 1 1 A 40 40 SER C C 67 174.360 174.683 -0.323 1 1 496 . 8 1 1 A 40 40 SER CA C 67 56.580 56.977 -0.397 1 1 497 . 8 1 1 A 40 40 SER CB C 67 66.290 65.492 0.798 1 1 498 . 8 1 1 A 40 40 SER N N 67 115.210 114.405 0.805 1 1 499 . 8 1 1 A 41 41 LYS H H 68 9.020 8.774 0.246 1 1 500 . 8 1 1 A 41 41 LYS HA H 68 4.210 3.963 0.247 1 1 509 . 8 1 1 A 41 41 LYS C C 68 177.730 177.254 0.476 1 1 510 . 8 1 1 A 41 41 LYS CA C 68 59.240 59.071 0.169 1 1 511 . 8 1 1 A 41 41 LYS CB C 68 31.660 31.897 -0.237 1 1 515 . 8 1 1 A 41 41 LYS N N 68 118.790 118.286 0.504 1 1 516 . 8 1 1 A 42 42 CYS H H 69 8.090 7.417 0.673 1 1 517 . 8 1 1 A 42 42 CYS HA H 69 4.750 4.720 0.030 1 1 520 . 8 1 1 A 42 42 CYS C C 69 173.260 173.936 -0.676 1 1 521 . 8 1 1 A 42 42 CYS CA C 69 52.780 56.924 -4.144 1 1 522 . 8 1 1 A 42 42 CYS CB C 69 39.470 44.565 -5.095 1 1 523 . 8 1 1 A 42 42 CYS N N 69 113.650 115.012 -1.362 1 1 524 . 8 1 1 A 43 43 ILE H H 70 7.550 7.720 -0.170 1 1 525 . 8 1 1 A 43 43 ILE HA H 70 5.210 4.899 0.311 1 1 535 . 8 1 1 A 43 43 ILE C C 70 171.870 174.973 -3.103 1 1 536 . 8 1 1 A 43 43 ILE CA C 70 59.800 60.957 -1.157 1 1 537 . 8 1 1 A 43 43 ILE CB C 70 42.550 40.090 2.460 1 1 541 . 8 1 1 A 43 43 ILE N N 70 118.580 120.885 -2.305 1 1 542 . 8 1 1 A 44 44 SER H H 71 8.190 8.886 -0.696 1 1 543 . 8 1 1 A 44 44 SER HA H 71 5.190 5.219 -0.029 1 1 546 . 8 1 1 A 44 44 SER C C 71 173.790 173.100 0.690 1 1 547 . 8 1 1 A 44 44 SER CA C 71 56.980 58.094 -1.114 1 1 548 . 8 1 1 A 44 44 SER CB C 71 64.910 65.077 -0.167 1 1 549 . 8 1 1 A 44 44 SER N N 71 117.640 122.028 -4.388 1 1 550 . 8 1 1 A 45 45 GLY H H 72 9.720 9.293 0.427 1 1 551 . 8 1 1 A 45 45 GLY HA2 H 72 5.280 4.347 0.933 1 1 552 . 8 1 1 A 45 45 GLY HA3 H 72 3.460 4.388 -0.928 1 1 553 . 8 1 1 A 45 45 GLY C C 72 171.300 171.921 -0.621 1 1 554 . 8 1 1 A 45 45 GLY CA C 72 45.230 44.359 0.871 1 1 555 . 8 1 1 A 45 45 GLY N N 72 114.160 113.581 0.579 1 1 556 . 8 1 1 A 46 46 LYS H H 73 8.340 8.472 -0.132 1 1 557 . 8 1 1 A 46 46 LYS HA H 73 5.530 5.485 0.045 1 1 566 . 8 1 1 A 46 46 LYS C C 73 174.510 174.839 -0.329 1 1 567 . 8 1 1 A 46 46 LYS CA C 73 54.930 55.139 -0.209 1 1 568 . 8 1 1 A 46 46 LYS CB C 73 36.420 34.589 1.831 1 1 572 . 8 1 1 A 46 46 LYS N N 73 123.520 122.924 0.596 1 1 573 . 8 1 1 A 47 47 ALA H H 74 8.440 8.414 0.026 1 1 574 . 8 1 1 A 47 47 ALA HA H 74 4.400 5.099 -0.699 1 1 578 . 8 1 1 A 47 47 ALA C C 74 175.850 175.121 0.729 1 1 579 . 8 1 1 A 47 47 ALA CA C 74 49.860 50.746 -0.886 1 1 580 . 8 1 1 A 47 47 ALA CB C 74 20.750 22.887 -2.137 1 1 581 . 8 1 1 A 47 47 ALA N N 74 125.710 125.689 0.021 1 1 582 . 8 1 1 A 48 48 VAL H H 75 7.840 7.921 -0.081 1 1 583 . 8 1 1 A 48 48 VAL HA H 75 4.640 4.504 0.136 1 1 591 . 8 1 1 A 48 48 VAL C C 75 176.660 174.814 1.846 1 1 592 . 8 1 1 A 48 48 VAL CA C 75 61.160 60.858 0.302 1 1 593 . 8 1 1 A 48 48 VAL CB C 75 32.180 34.481 -2.301 1 1 596 . 8 1 1 A 48 48 VAL N N 75 120.660 119.098 1.562 1 1 597 . 8 1 1 A 49 49 TYR H H 76 8.340 8.311 0.029 1 1 598 . 8 1 1 A 49 49 TYR HA H 76 5.230 5.615 -0.385 1 1 605 . 8 1 1 A 49 49 TYR C C 76 173.480 174.415 -0.935 1 1 606 . 8 1 1 A 49 49 TYR CA C 76 54.940 55.237 -0.297 1 1 607 . 8 1 1 A 49 49 TYR CB C 76 42.030 41.225 0.805 1 1 612 . 8 1 1 A 49 49 TYR N N 76 126.510 124.784 1.726 1 1 613 . 8 1 1 A 50 50 SER H H 77 8.360 8.438 -0.078 1 1 614 . 8 1 1 A 50 50 SER HA H 77 4.560 5.166 -0.606 1 1 617 . 8 1 1 A 50 50 SER C C 77 171.180 172.762 -1.582 1 1 618 . 8 1 1 A 50 50 SER CA C 77 56.890 57.135 -0.245 1 1 619 . 8 1 1 A 50 50 SER CB C 77 65.650 66.208 -0.558 1 1 620 . 8 1 1 A 50 50 SER N N 77 111.300 116.109 -4.809 1 1 621 . 8 1 1 A 51 51 PHE H H 78 8.660 8.841 -0.181 1 1 622 . 8 1 1 A 51 51 PHE HA H 78 5.860 5.694 0.166 1 1 630 . 8 1 1 A 51 51 PHE C C 78 176.800 174.414 2.386 1 1 631 . 8 1 1 A 51 51 PHE CA C 78 56.090 56.068 0.022 1 1 632 . 8 1 1 A 51 51 PHE CB C 78 42.280 42.126 0.154 1 1 638 . 8 1 1 A 51 51 PHE N N 78 116.710 120.712 -4.002 1 1 639 . 8 1 1 A 52 52 ASN H H 79 9.190 9.173 0.017 1 1 640 . 8 1 1 A 52 52 ASN HA H 79 4.900 5.191 -0.291 1 1 645 . 8 1 1 A 52 52 ASN C C 79 174.870 174.591 0.279 1 1 646 . 8 1 1 A 52 52 ASN CA C 79 53.300 52.585 0.715 1 1 647 . 8 1 1 A 52 52 ASN CB C 79 41.350 40.841 0.509 1 1 648 . 8 1 1 A 52 52 ASN N N 79 119.620 121.067 -1.447 1 1 650 . 8 1 1 A 53 53 ALA H H 80 9.650 9.264 0.386 1 1 651 . 8 1 1 A 53 53 ALA HA H 80 4.110 4.100 0.010 1 1 655 . 8 1 1 A 53 53 ALA C C 80 176.800 177.271 -0.471 1 1 656 . 8 1 1 A 53 53 ALA CA C 80 52.860 53.375 -0.515 1 1 657 . 8 1 1 A 53 53 ALA CB C 80 16.760 17.872 -1.112 1 1 658 . 8 1 1 A 53 53 ALA N N 80 131.210 129.987 1.223 1 1 659 . 8 1 1 A 54 54 GLY H H 81 8.850 8.636 0.214 1 1 660 . 8 1 1 A 54 54 GLY HA2 H 81 4.320 3.892 0.428 1 1 661 . 8 1 1 A 54 54 GLY HA3 H 81 4.220 3.919 0.301 1 1 662 . 8 1 1 A 54 54 GLY C C 81 173.950 173.911 0.039 1 1 663 . 8 1 1 A 54 54 GLY CA C 81 45.320 45.602 -0.282 1 1 664 . 8 1 1 A 54 54 GLY N N 81 104.570 102.916 1.654 1 1 665 . 8 1 1 A 55 55 LYS H H 82 8.030 7.913 0.117 1 1 666 . 8 1 1 A 55 55 LYS HA H 82 4.910 4.545 0.365 1 1 675 . 8 1 1 A 55 55 LYS C C 82 174.120 175.312 -1.192 1 1 676 . 8 1 1 A 55 55 LYS CA C 82 54.350 55.438 -1.088 1 1 677 . 8 1 1 A 55 55 LYS CB C 82 34.010 33.620 0.390 1 1 681 . 8 1 1 A 55 55 LYS N N 82 120.230 120.509 -0.279 1 1 682 . 8 1 1 A 56 56 PHE H H 83 9.390 9.412 -0.022 1 1 683 . 8 1 1 A 56 56 PHE HA H 83 4.250 4.782 -0.532 1 1 691 . 8 1 1 A 56 56 PHE C C 83 173.870 174.241 -0.371 1 1 692 . 8 1 1 A 56 56 PHE CA C 83 56.630 57.028 -0.398 1 1 693 . 8 1 1 A 56 56 PHE CB C 83 40.940 40.625 0.315 1 1 699 . 8 1 1 A 56 56 PHE N N 83 125.150 125.718 -0.568 1 1 700 . 8 1 1 A 57 57 MET H H 84 8.270 8.899 -0.629 1 1 701 . 8 1 1 A 57 57 MET HA H 84 5.140 6.104 -0.964 1 1 709 . 8 1 1 A 57 57 MET C C 84 174.090 175.059 -0.969 1 1 710 . 8 1 1 A 57 57 MET CA C 84 53.600 54.003 -0.403 1 1 711 . 8 1 1 A 57 57 MET CB C 84 36.190 37.040 -0.850 1 1 714 . 8 1 1 A 57 57 MET N N 84 124.270 125.183 -0.913 1 1 715 . 8 1 1 A 58 58 GLY H H 85 7.420 8.332 -0.912 1 1 716 . 8 1 1 A 58 58 GLY HA2 H 85 3.900 3.793 0.107 1 1 717 . 8 1 1 A 58 58 GLY HA3 H 85 2.790 3.920 -1.130 1 1 718 . 8 1 1 A 58 58 GLY C C 85 169.900 171.870 -1.970 1 1 719 . 8 1 1 A 58 58 GLY CA C 85 45.620 45.153 0.467 1 1 720 . 8 1 1 A 58 58 GLY N N 85 103.440 108.000 -4.560 1 1 721 . 8 1 1 A 59 59 ASN H H 86 8.410 8.695 -0.285 1 1 722 . 8 1 1 A 59 59 ASN HA H 86 4.890 4.908 -0.018 1 1 727 . 8 1 1 A 59 59 ASN C C 86 174.650 174.403 0.247 1 1 728 . 8 1 1 A 59 59 ASN CA C 86 51.110 52.714 -1.604 1 1 729 . 8 1 1 A 59 59 ASN CB C 86 38.140 39.116 -0.976 1 1 730 . 8 1 1 A 59 59 ASN N N 86 122.270 122.489 -0.219 1 1 732 . 8 1 1 A 60 60 PHE H H 87 8.870 8.971 -0.101 1 1 733 . 8 1 1 A 60 60 PHE HA H 87 4.120 5.126 -1.006 1 1 741 . 8 1 1 A 60 60 PHE C C 87 175.620 175.151 0.469 1 1 742 . 8 1 1 A 60 60 PHE CA C 87 58.850 56.596 2.254 1 1 743 . 8 1 1 A 60 60 PHE CB C 87 39.910 40.763 -0.853 1 1 749 . 8 1 1 A 60 60 PHE N N 87 123.420 126.119 -2.699 1 1 750 . 8 1 1 A 61 61 ASN H H 88 8.610 9.588 -0.978 1 1 751 . 8 1 1 A 61 61 ASN HA H 88 4.900 5.209 -0.309 1 1 756 . 8 1 1 A 61 61 ASN C C 88 175.090 174.013 1.077 1 1 757 . 8 1 1 A 61 61 ASN CA C 88 52.690 52.007 0.683 1 1 758 . 8 1 1 A 61 61 ASN CB C 88 39.830 39.766 0.064 1 1 759 . 8 1 1 A 61 61 ASN N N 88 121.520 120.032 1.488 1 1 761 . 8 1 1 A 62 62 VAL H H 89 8.890 8.637 0.253 1 1 762 . 8 1 1 A 62 62 VAL HA H 89 4.820 4.661 0.159 1 1 770 . 8 1 1 A 62 62 VAL C C 89 174.650 174.335 0.315 1 1 771 . 8 1 1 A 62 62 VAL CA C 89 60.870 61.814 -0.944 1 1 772 . 8 1 1 A 62 62 VAL CB C 89 34.690 33.007 1.683 1 1 775 . 8 1 1 A 62 62 VAL N N 89 123.750 124.449 -0.699 1 1 776 . 8 1 1 A 63 63 LYS H H 90 8.750 9.129 -0.379 1 1 777 . 8 1 1 A 63 63 LYS HA H 90 4.670 4.887 -0.217 1 1 786 . 8 1 1 A 63 63 LYS C C 90 174.990 175.473 -0.483 1 1 787 . 8 1 1 A 63 63 LYS CA C 90 55.010 54.855 0.155 1 1 788 . 8 1 1 A 63 63 LYS CB C 90 34.030 34.174 -0.144 1 1 792 . 8 1 1 A 63 63 LYS N N 90 126.210 127.866 -1.656 1 1 793 . 8 1 1 A 64 64 GLU H H 91 9.170 8.963 0.207 1 1 794 . 8 1 1 A 64 64 GLU HA H 91 5.020 5.156 -0.136 1 1 799 . 8 1 1 A 64 64 GLU C C 91 175.680 174.855 0.825 1 1 800 . 8 1 1 A 64 64 GLU CA C 91 54.400 54.524 -0.124 1 1 801 . 8 1 1 A 64 64 GLU CB C 91 32.690 33.289 -0.599 1 1 803 . 8 1 1 A 64 64 GLU N N 91 128.500 124.347 4.153 1 1 804 . 8 1 1 A 65 65 VAL H H 92 8.330 9.012 -0.682 1 1 805 . 8 1 1 A 65 65 VAL HA H 92 3.880 4.659 -0.779 1 1 813 . 8 1 1 A 65 65 VAL C C 92 175.940 174.129 1.811 1 1 814 . 8 1 1 A 65 65 VAL CA C 92 62.290 60.855 1.435 1 1 815 . 8 1 1 A 65 65 VAL CB C 92 32.080 33.114 -1.034 1 1 818 . 8 1 1 A 65 65 VAL N N 92 126.870 118.620 8.250 1 1 819 . 8 1 1 A 66 66 ASP H H 93 8.810 8.901 -0.091 1 1 820 . 8 1 1 A 66 66 ASP HA H 93 4.440 5.340 -0.900 1 1 823 . 8 1 1 A 66 66 ASP C C 93 177.330 176.871 0.459 1 1 824 . 8 1 1 A 66 66 ASP CA C 93 55.950 52.547 3.403 1 1 825 . 8 1 1 A 66 66 ASP CB C 93 40.760 43.484 -2.724 1 1 826 . 8 1 1 A 66 66 ASP N N 93 130.720 124.395 6.325 1 1 827 . 8 1 1 A 67 67 GLY H H 94 8.910 8.905 0.005 1 1 828 . 8 1 1 A 67 67 GLY HA2 H 94 4.020 3.912 0.108 1 1 829 . 8 1 1 A 67 67 GLY HA3 H 94 3.820 3.918 -0.098 1 1 830 . 8 1 1 A 67 67 GLY C C 94 173.530 174.831 -1.301 1 1 831 . 8 1 1 A 67 67 GLY CA C 94 45.830 45.072 0.758 1 1 832 . 8 1 1 A 67 67 GLY N N 94 112.760 113.144 -0.384 1 1 833 . 8 1 1 A 68 68 CYS H H 95 7.540 8.103 -0.563 1 1 834 . 8 1 1 A 68 68 CYS HA H 95 4.260 4.122 0.138 1 1 837 . 8 1 1 A 68 68 CYS C C 95 175.640 175.240 0.400 1 1 838 . 8 1 1 A 68 68 CYS CA C 95 58.280 59.593 -1.313 1 1 839 . 8 1 1 A 68 68 CYS CB C 95 38.240 41.897 -3.657 1 1 840 . 8 1 1 A 68 68 CYS N N 95 119.700 120.010 -0.310 1 1 841 . 8 1 1 A 69 69 PHE H H 96 8.850 7.885 0.965 1 1 842 . 8 1 1 A 69 69 PHE HA H 96 5.010 4.603 0.407 1 1 850 . 8 1 1 A 69 69 PHE C C 96 177.330 175.367 1.963 1 1 851 . 8 1 1 A 69 69 PHE CA C 96 56.460 57.746 -1.286 1 1 852 . 8 1 1 A 69 69 PHE CB C 96 40.020 38.837 1.183 1 1 858 . 8 1 1 A 69 69 PHE N N 96 117.790 116.939 0.851 1 1 859 . 8 1 1 A 70 70 MET H H 97 8.710 8.207 0.503 1 1 860 . 8 1 1 A 70 70 MET HA H 97 4.700 4.175 0.525 1 1 868 . 8 1 1 A 70 70 MET C C 97 177.650 176.234 1.416 1 1 869 . 8 1 1 A 70 70 MET CA C 97 54.570 57.551 -2.981 1 1 870 . 8 1 1 A 70 70 MET CB C 97 33.990 31.373 2.617 1 1 873 . 8 1 1 A 70 70 MET N N 97 119.890 116.376 3.514 1 1 874 . 8 1 1 A 71 71 ASP H H 98 8.980 8.706 0.274 1 1 875 . 8 1 1 A 71 71 ASP HA H 98 4.280 4.770 -0.490 1 1 878 . 8 1 1 A 71 71 ASP C C 98 177.920 177.361 0.559 1 1 879 . 8 1 1 A 71 71 ASP CA C 98 58.380 55.212 3.168 1 1 880 . 8 1 1 A 71 71 ASP CB C 98 40.100 42.477 -2.377 1 1 881 . 8 1 1 A 71 71 ASP N N 98 123.440 124.517 -1.077 1 1 882 . 8 1 1 A 72 72 ALA H H 99 8.950 8.111 0.839 1 1 883 . 8 1 1 A 72 72 ALA HA H 99 4.030 4.106 -0.076 1 1 887 . 8 1 1 A 72 72 ALA C C 99 180.740 179.368 1.372 1 1 888 . 8 1 1 A 72 72 ALA CA C 99 55.020 54.366 0.654 1 1 889 . 8 1 1 A 72 72 ALA CB C 99 18.280 18.455 -0.175 1 1 890 . 8 1 1 A 72 72 ALA N N 99 119.200 122.212 -3.012 1 1 891 . 8 1 1 A 73 73 GLN H H 100 7.120 7.772 -0.652 1 1 892 . 8 1 1 A 73 73 GLN HA H 100 4.020 4.790 -0.770 1 1 899 . 8 1 1 A 73 73 GLN C C 100 176.880 178.395 -1.515 1 1 900 . 8 1 1 A 73 73 GLN CA C 100 57.720 58.662 -0.942 1 1 901 . 8 1 1 A 73 73 GLN CB C 100 28.940 28.261 0.679 1 1 903 . 8 1 1 A 73 73 GLN N N 100 115.380 117.834 -2.454 1 1 905 . 8 1 1 A 74 74 LYS H H 101 7.760 7.964 -0.204 1 1 906 . 8 1 1 A 74 74 LYS HA H 101 3.510 4.062 -0.552 1 1 915 . 8 1 1 A 74 74 LYS C C 101 177.610 178.579 -0.969 1 1 916 . 8 1 1 A 74 74 LYS CA C 101 58.500 59.211 -0.711 1 1 917 . 8 1 1 A 74 74 LYS CB C 101 31.790 32.271 -0.481 1 1 921 . 8 1 1 A 74 74 LYS N N 101 119.560 121.357 -1.797 1 1 922 . 8 1 1 A 75 75 ILE H H 102 7.760 8.282 -0.522 1 1 923 . 8 1 1 A 75 75 ILE HA H 102 3.750 3.632 0.118 1 1 933 . 8 1 1 A 75 75 ILE C C 102 178.530 177.700 0.830 1 1 934 . 8 1 1 A 75 75 ILE CA C 102 64.200 65.494 -1.294 1 1 935 . 8 1 1 A 75 75 ILE CB C 102 38.170 37.647 0.523 1 1 939 . 8 1 1 A 75 75 ILE N N 102 117.490 119.905 -2.415 1 1 940 . 8 1 1 A 76 76 ALA H H 103 7.090 8.666 -1.576 1 1 941 . 8 1 1 A 76 76 ALA HA H 103 3.990 3.822 0.168 1 1 945 . 8 1 1 A 76 76 ALA C C 103 178.650 180.086 -1.436 1 1 946 . 8 1 1 A 76 76 ALA CA C 103 55.020 55.189 -0.169 1 1 947 . 8 1 1 A 76 76 ALA CB C 103 18.570 18.427 0.143 1 1 948 . 8 1 1 A 76 76 ALA N N 103 121.190 121.855 -0.665 1 1 949 . 8 1 1 A 77 77 ILE H H 104 8.150 7.820 0.330 1 1 950 . 8 1 1 A 77 77 ILE HA H 104 3.420 3.487 -0.067 1 1 960 . 8 1 1 A 77 77 ILE C C 104 176.670 177.202 -0.532 1 1 961 . 8 1 1 A 77 77 ILE CA C 104 63.130 64.714 -1.584 1 1 962 . 8 1 1 A 77 77 ILE CB C 104 36.680 37.252 -0.572 1 1 966 . 8 1 1 A 77 77 ILE N N 104 119.240 118.378 0.862 1 1 967 . 8 1 1 A 78 78 ASP H H 105 8.290 8.611 -0.321 1 1 968 . 8 1 1 A 78 78 ASP HA H 105 4.440 4.269 0.171 1 1 971 . 8 1 1 A 78 78 ASP C C 105 180.350 178.534 1.816 1 1 972 . 8 1 1 A 78 78 ASP CA C 105 57.440 57.874 -0.434 1 1 973 . 8 1 1 A 78 78 ASP CB C 105 39.430 41.544 -2.114 1 1 974 . 8 1 1 A 78 78 ASP N N 105 121.080 121.762 -0.682 1 1 975 . 8 1 1 A 79 79 LYS H H 106 7.960 8.028 -0.068 1 1 976 . 8 1 1 A 79 79 LYS HA H 106 4.010 3.994 0.016 1 1 985 . 8 1 1 A 79 79 LYS C C 106 178.580 178.994 -0.414 1 1 986 . 8 1 1 A 79 79 LYS CA C 106 59.780 59.225 0.555 1 1 987 . 8 1 1 A 79 79 LYS CB C 106 31.800 32.229 -0.429 1 1 991 . 8 1 1 A 79 79 LYS N N 106 121.340 118.707 2.633 1 1 992 . 8 1 1 A 80 80 LEU H H 107 8.230 8.108 0.122 1 1 993 . 8 1 1 A 80 80 LEU HA H 107 3.990 4.176 -0.186 1 1 1003 . 8 1 1 A 80 80 LEU C C 107 178.230 178.293 -0.063 1 1 1004 . 8 1 1 A 80 80 LEU CA C 107 58.570 58.017 0.553 1 1 1005 . 8 1 1 A 80 80 LEU CB C 107 41.110 41.208 -0.098 1 1 1009 . 8 1 1 A 80 80 LEU N N 107 123.530 120.944 2.586 1 1 1010 . 8 1 1 A 81 81 PHE H H 108 8.050 8.509 -0.459 1 1 1011 . 8 1 1 A 81 81 PHE HA H 108 4.350 3.913 0.437 1 1 1019 . 8 1 1 A 81 81 PHE C C 108 179.570 179.007 0.563 1 1 1020 . 8 1 1 A 81 81 PHE CA C 108 61.070 60.541 0.529 1 1 1021 . 8 1 1 A 81 81 PHE CB C 108 37.010 38.291 -1.281 1 1 1027 . 8 1 1 A 81 81 PHE N N 108 116.720 117.997 -1.277 1 1 1028 . 8 1 1 A 82 82 SER H H 109 8.410 8.528 -0.118 1 1 1029 . 8 1 1 A 82 82 SER HA H 109 4.360 4.358 0.002 1 1 1032 . 8 1 1 A 82 82 SER C C 109 176.200 177.625 -1.425 1 1 1033 . 8 1 1 A 82 82 SER CA C 109 61.830 61.466 0.364 1 1 1034 . 8 1 1 A 82 82 SER CB C 109 62.570 62.673 -0.103 1 1 1035 . 8 1 1 A 82 82 SER N N 109 118.120 116.359 1.761 1 1 1036 . 8 1 1 A 83 83 MET H H 110 8.420 8.145 0.275 1 1 1037 . 8 1 1 A 83 83 MET HA H 110 4.210 4.146 0.064 1 1 1043 . 8 1 1 A 83 83 MET C C 110 178.260 178.851 -0.591 1 1 1044 . 8 1 1 A 83 83 MET CA C 110 59.170 58.999 0.171 1 1 1045 . 8 1 1 A 83 83 MET CB C 110 31.240 32.732 -1.492 1 1 1047 . 8 1 1 A 83 83 MET N N 110 123.040 120.506 2.534 1 1 1048 . 8 1 1 A 84 84 LEU H H 111 8.080 8.171 -0.091 1 1 1049 . 8 1 1 A 84 84 LEU HA H 111 4.140 4.049 0.091 1 1 1059 . 8 1 1 A 84 84 LEU C C 111 178.030 179.137 -1.107 1 1 1060 . 8 1 1 A 84 84 LEU CA C 111 57.390 58.241 -0.851 1 1 1061 . 8 1 1 A 84 84 LEU CB C 111 41.430 41.767 -0.337 1 1 1065 . 8 1 1 A 84 84 LEU N N 111 117.910 119.835 -1.925 1 1 1066 . 8 1 1 A 85 85 LYS H H 112 7.640 7.693 -0.053 1 1 1067 . 8 1 1 A 85 85 LYS HA H 112 4.110 4.130 -0.020 1 1 1076 . 8 1 1 A 85 85 LYS C C 112 177.650 178.452 -0.802 1 1 1077 . 8 1 1 A 85 85 LYS CA C 112 58.750 59.267 -0.517 1 1 1078 . 8 1 1 A 85 85 LYS CB C 112 32.240 32.011 0.229 1 1 1082 . 8 1 1 A 85 85 LYS N N 112 119.340 117.697 1.643 1 1 1083 . 8 1 1 A 86 86 ASP H H 113 7.350 7.749 -0.399 1 1 1084 . 8 1 1 A 86 86 ASP HA H 113 4.570 4.706 -0.136 1 1 1087 . 8 1 1 A 86 86 ASP C C 113 176.950 176.461 0.489 1 1 1088 . 8 1 1 A 86 86 ASP CA C 113 55.770 54.230 1.540 1 1 1089 . 8 1 1 A 86 86 ASP CB C 113 42.420 41.484 0.936 1 1 1090 . 8 1 1 A 86 86 ASP N N 113 117.210 117.425 -0.215 1 1 1091 . 8 1 1 A 87 87 GLY H H 114 7.760 7.906 -0.146 1 1 1092 . 8 1 1 A 87 87 GLY HA2 H 114 4.380 4.041 0.339 1 1 1093 . 8 1 1 A 87 87 GLY HA3 H 114 4.380 4.057 0.323 1 1 1094 . 8 1 1 A 87 87 GLY C C 114 173.000 174.072 -1.072 1 1 1095 . 8 1 1 A 87 87 GLY CA C 114 44.490 45.538 -1.048 1 1 1096 . 8 1 1 A 87 87 GLY N N 114 107.740 106.853 0.887 1 1 1097 . 8 1 1 A 88 88 VAL H H 115 9.350 8.705 0.645 1 1 1098 . 8 1 1 A 88 88 VAL HA H 115 4.960 4.690 0.270 1 1 1106 . 8 1 1 A 88 88 VAL C C 115 173.100 174.822 -1.722 1 1 1107 . 8 1 1 A 88 88 VAL CA C 115 58.650 62.306 -3.656 1 1 1108 . 8 1 1 A 88 88 VAL CB C 115 35.910 33.154 2.756 1 1 1111 . 8 1 1 A 88 88 VAL N N 115 118.050 123.960 -5.910 1 1 1112 . 8 1 1 A 89 89 VAL H H 116 9.000 9.585 -0.585 1 1 1113 . 8 1 1 A 89 89 VAL HA H 116 4.550 4.861 -0.311 1 1 1121 . 8 1 1 A 89 89 VAL C C 116 174.640 174.917 -0.277 1 1 1122 . 8 1 1 A 89 89 VAL CA C 116 61.360 60.055 1.305 1 1 1123 . 8 1 1 A 89 89 VAL CB C 116 33.760 34.025 -0.265 1 1 1126 . 8 1 1 A 89 89 VAL N N 116 121.030 127.488 -6.458 1 1 1127 . 8 1 1 A 90 90 LEU H H 117 8.950 8.789 0.161 1 1 1128 . 8 1 1 A 90 90 LEU HA H 117 5.160 5.375 -0.215 1 1 1138 . 8 1 1 A 90 90 LEU C C 117 176.150 176.723 -0.573 1 1 1139 . 8 1 1 A 90 90 LEU CA C 117 52.230 54.534 -2.304 1 1 1140 . 8 1 1 A 90 90 LEU CB C 117 44.280 41.771 2.509 1 1 1144 . 8 1 1 A 90 90 LEU N N 117 125.420 129.481 -4.061 1 1 1145 . 8 1 1 A 91 91 LYS H H 118 8.280 8.665 -0.385 1 1 1146 . 8 1 1 A 91 91 LYS HA H 118 4.900 4.558 0.342 1 1 1155 . 8 1 1 A 91 91 LYS C C 118 175.300 175.129 0.171 1 1 1156 . 8 1 1 A 91 91 LYS CA C 118 53.810 55.486 -1.676 1 1 1157 . 8 1 1 A 91 91 LYS CB C 118 36.840 36.718 0.122 1 1 1161 . 8 1 1 A 91 91 LYS N N 118 119.720 121.600 -1.880 1 1 1162 . 8 1 1 A 92 92 GLY H H 119 9.030 8.233 0.797 1 1 1163 . 8 1 1 A 92 92 GLY HA2 H 119 3.750 4.277 -0.527 1 1 1164 . 8 1 1 A 92 92 GLY HA3 H 119 3.750 4.283 -0.533 1 1 1165 . 8 1 1 A 92 92 GLY CA C 119 43.980 45.085 -1.105 1 1 1166 . 8 1 1 A 92 92 GLY N N 119 109.730 108.698 1.032 1 1 1167 . 8 1 1 A 94 94 LYS HA H 121 4.760 4.792 -0.032 1 1 1168 . 8 1 1 A 95 95 ILE H H 122 7.700 8.656 -0.956 1 1 1169 . 8 1 1 A 95 95 ILE HA H 122 4.160 4.816 -0.656 1 1 1179 . 8 1 1 A 95 95 ILE CA C 122 61.270 59.043 2.227 1 1 1180 . 8 1 1 A 95 95 ILE CB C 122 37.590 41.247 -3.657 1 1 1184 . 8 1 1 A 95 95 ILE N N 122 117.400 126.308 -8.908 1 1 1185 . 8 1 1 A 98 98 THR HA H 125 5.810 4.715 1.095 1 1 1190 . 8 1 1 A 98 98 THR CA C 125 61.740 60.895 0.845 1 1 1191 . 8 1 1 A 98 98 THR CB C 125 73.450 72.391 1.059 1 1 1193 . 8 1 1 A 99 99 ILE HA H 126 4.630 4.726 -0.096 1 1 1203 . 8 1 1 A 99 99 ILE C C 126 174.430 175.110 -0.680 1 1 1204 . 8 1 1 A 99 99 ILE CA C 126 59.980 59.527 0.453 1 1 1205 . 8 1 1 A 99 99 ILE CB C 126 40.970 39.139 1.831 1 1 1209 . 8 1 1 A 100 100 LEU H H 127 9.530 8.880 0.650 1 1 1210 . 8 1 1 A 100 100 LEU HA H 127 4.420 5.061 -0.641 1 1 1220 . 8 1 1 A 100 100 LEU C C 127 174.930 175.488 -0.558 1 1 1221 . 8 1 1 A 100 100 LEU CA C 127 54.030 53.573 0.457 1 1 1222 . 8 1 1 A 100 100 LEU CB C 127 42.520 45.160 -2.640 1 1 1226 . 8 1 1 A 100 100 LEU N N 127 127.300 126.503 0.797 1 1 1227 . 8 1 1 A 101 101 ILE H H 128 8.260 9.379 -1.119 1 1 1228 . 8 1 1 A 101 101 ILE HA H 128 4.320 4.751 -0.431 1 1 1238 . 8 1 1 A 101 101 ILE C C 128 173.880 174.540 -0.660 1 1 1239 . 8 1 1 A 101 101 ILE CA C 128 60.900 60.230 0.670 1 1 1240 . 8 1 1 A 101 101 ILE CB C 128 37.410 38.573 -1.163 1 1 1244 . 8 1 1 A 101 101 ILE N N 128 119.990 123.390 -3.400 1 1 1245 . 8 1 1 A 102 102 GLU H H 129 9.580 8.740 0.840 1 1 1246 . 8 1 1 A 102 102 GLU HA H 129 5.120 5.256 -0.136 1 1 1251 . 8 1 1 A 102 102 GLU C C 129 174.240 174.674 -0.434 1 1 1252 . 8 1 1 A 102 102 GLU CA C 129 54.050 54.919 -0.869 1 1 1253 . 8 1 1 A 102 102 GLU CB C 129 33.630 33.693 -0.063 1 1 1255 . 8 1 1 A 102 102 GLU N N 129 129.780 129.418 0.362 1 1 1256 . 8 1 1 A 103 103 LYS H H 130 8.680 8.466 0.214 1 1 1257 . 8 1 1 A 103 103 LYS HA H 130 4.720 4.867 -0.147 1 1 1264 . 8 1 1 A 103 103 LYS C C 130 175.280 174.762 0.518 1 1 1265 . 8 1 1 A 103 103 LYS CA C 130 55.190 55.253 -0.063 1 1 1266 . 8 1 1 A 103 103 LYS CB C 130 36.750 35.563 1.187 1 1 1270 . 8 1 1 A 103 103 LYS N N 130 123.420 122.598 0.822 1 1 1271 . 8 1 1 A 104 104 ASP H H 131 9.530 9.351 0.179 1 1 1272 . 8 1 1 A 104 104 ASP HA H 131 4.290 4.349 -0.059 1 1 1275 . 8 1 1 A 104 104 ASP C C 131 176.090 176.259 -0.169 1 1 1276 . 8 1 1 A 104 104 ASP CA C 131 55.370 55.510 -0.140 1 1 1277 . 8 1 1 A 104 104 ASP CB C 131 39.260 39.111 0.149 1 1 1278 . 8 1 1 A 104 104 ASP N N 131 127.440 119.550 7.890 1 1 1279 . 8 1 1 A 105 105 GLY H H 132 8.970 8.632 0.338 1 1 1280 . 8 1 1 A 105 105 GLY HA2 H 132 4.090 3.842 0.248 1 1 1281 . 8 1 1 A 105 105 GLY HA3 H 132 3.550 3.843 -0.293 1 1 1282 . 8 1 1 A 105 105 GLY C C 132 173.130 173.511 -0.381 1 1 1283 . 8 1 1 A 105 105 GLY CA C 132 45.230 45.549 -0.319 1 1 1284 . 8 1 1 A 105 105 GLY N N 132 103.820 105.152 -1.332 1 1 1285 . 8 1 1 A 106 106 GLU H H 133 7.720 7.644 0.076 1 1 1286 . 8 1 1 A 106 106 GLU HA H 133 4.720 4.776 -0.056 1 1 1291 . 8 1 1 A 106 106 GLU C C 133 174.940 174.198 0.742 1 1 1292 . 8 1 1 A 106 106 GLU CA C 133 53.770 54.519 -0.749 1 1 1293 . 8 1 1 A 106 106 GLU CB C 133 32.820 32.248 0.572 1 1 1295 . 8 1 1 A 106 106 GLU N N 133 120.200 115.432 4.768 1 1 1296 . 8 1 1 A 107 107 VAL H H 134 8.900 8.777 0.123 1 1 1297 . 8 1 1 A 107 107 VAL HA H 134 3.760 4.170 -0.410 1 1 1305 . 8 1 1 A 107 107 VAL C C 134 175.340 175.986 -0.646 1 1 1306 . 8 1 1 A 107 107 VAL CA C 134 64.230 61.849 2.381 1 1 1307 . 8 1 1 A 107 107 VAL CB C 134 31.160 32.777 -1.617 1 1 1310 . 8 1 1 A 107 107 VAL N N 134 125.990 122.576 3.414 1 1 1311 . 8 1 1 A 108 108 LYS H H 135 9.250 8.583 0.667 1 1 1312 . 8 1 1 A 108 108 LYS HA H 135 4.810 4.471 0.339 1 1 1321 . 8 1 1 A 108 108 LYS C C 135 174.390 175.590 -1.200 1 1 1322 . 8 1 1 A 108 108 LYS CA C 135 54.740 55.726 -0.986 1 1 1323 . 8 1 1 A 108 108 LYS CB C 135 34.690 33.603 1.087 1 1 1327 . 8 1 1 A 108 108 LYS N N 135 126.060 124.116 1.944 1 1 1328 . 8 1 1 A 109 109 LEU H H 136 7.690 7.244 0.446 1 1 1329 . 8 1 1 A 109 109 LEU HA H 136 4.820 5.270 -0.450 1 1 1339 . 8 1 1 A 109 109 LEU C C 136 172.450 174.381 -1.931 1 1 1340 . 8 1 1 A 109 109 LEU CA C 136 53.250 53.640 -0.390 1 1 1341 . 8 1 1 A 109 109 LEU CB C 136 47.800 45.490 2.310 1 1 1345 . 8 1 1 A 109 109 LEU N N 136 116.670 120.556 -3.886 1 1 1346 . 8 1 1 A 110 110 LYS H H 137 9.170 8.801 0.369 1 1 1347 . 8 1 1 A 110 110 LYS HA H 137 5.050 4.899 0.151 1 1 1356 . 8 1 1 A 110 110 LYS C C 137 172.760 175.004 -2.244 1 1 1357 . 8 1 1 A 110 110 LYS CA C 137 54.090 54.733 -0.643 1 1 1358 . 8 1 1 A 110 110 LYS CB C 137 36.560 36.974 -0.414 1 1 1362 . 8 1 1 A 110 110 LYS N N 137 117.050 122.295 -5.245 1 1 1363 . 8 1 1 A 111 111 LEU H H 138 9.400 9.142 0.258 1 1 1364 . 8 1 1 A 111 111 LEU HA H 138 5.250 5.067 0.183 1 1 1374 . 8 1 1 A 111 111 LEU C C 138 176.470 176.655 -0.185 1 1 1375 . 8 1 1 A 111 111 LEU CA C 138 52.230 53.783 -1.553 1 1 1376 . 8 1 1 A 111 111 LEU CB C 138 42.810 41.802 1.008 1 1 1380 . 8 1 1 A 111 111 LEU N N 138 121.800 121.549 0.251 1 1 1381 . 8 1 1 A 112 112 ILE H H 139 9.080 9.344 -0.264 1 1 1382 . 8 1 1 A 112 112 ILE HA H 139 5.420 4.380 1.040 1 1 1392 . 8 1 1 A 112 112 ILE C C 139 175.710 176.404 -0.694 1 1 1393 . 8 1 1 A 112 112 ILE CA C 139 59.170 62.711 -3.541 1 1 1394 . 8 1 1 A 112 112 ILE CB C 139 41.010 36.950 4.060 1 1 1398 . 8 1 1 A 112 112 ILE N N 139 120.350 120.900 -0.550 1 1 1399 . 8 1 1 A 113 113 ARG H H 140 8.550 8.831 -0.281 1 1 1400 . 8 1 1 A 113 113 ARG HA H 140 3.940 4.339 -0.399 1 1 1403 . 8 1 1 A 113 113 ARG C C 140 176.030 176.078 -0.048 1 1 1404 . 8 1 1 A 113 113 ARG CA C 140 56.180 57.020 -0.840 1 1 1405 . 8 1 1 A 113 113 ARG CB C 140 30.770 30.593 0.177 1 1 1408 . 8 1 1 A 113 113 ARG N N 140 127.710 125.660 2.050 1 1 1409 . 8 1 1 A 114 114 GLY H H 141 8.530 7.947 0.583 1 1 1410 . 8 1 1 A 114 114 GLY HA2 H 141 4.000 4.114 -0.114 1 1 1411 . 8 1 1 A 114 114 GLY HA3 H 141 3.820 4.115 -0.295 1 1 1412 . 8 1 1 A 114 114 GLY C C 141 172.650 172.285 0.365 1 1 1413 . 8 1 1 A 114 114 GLY CA C 141 45.100 44.587 0.513 1 1 1414 . 8 1 1 A 114 114 GLY N N 141 111.410 107.547 3.863 1 1 1 . 9 1 1 A 2 2 SER HA H 29 4.540 4.207 0.333 1 1 4 . 9 1 1 A 2 2 SER C C 29 174.370 175.002 -0.632 1 1 5 . 9 1 1 A 2 2 SER CA C 29 58.380 61.209 -2.829 1 1 6 . 9 1 1 A 2 2 SER CB C 29 63.670 63.240 0.430 1 1 7 . 9 1 1 A 3 3 SER H H 30 8.530 7.990 0.540 1 1 8 . 9 1 1 A 3 3 SER HA H 30 4.480 4.887 -0.407 1 1 11 . 9 1 1 A 3 3 SER C C 30 174.610 173.692 0.918 1 1 12 . 9 1 1 A 3 3 SER CA C 30 58.380 57.328 1.052 1 1 13 . 9 1 1 A 3 3 SER CB C 30 63.690 63.728 -0.038 1 1 14 . 9 1 1 A 3 3 SER N N 30 117.760 114.469 3.291 1 1 15 . 9 1 1 A 4 4 ASN H H 31 8.600 8.710 -0.110 1 1 16 . 9 1 1 A 4 4 ASN HA H 31 4.710 4.962 -0.252 1 1 21 . 9 1 1 A 4 4 ASN C C 31 175.840 175.018 0.822 1 1 22 . 9 1 1 A 4 4 ASN CA C 31 53.880 54.767 -0.887 1 1 23 . 9 1 1 A 4 4 ASN CB C 31 38.520 40.821 -2.301 1 1 24 . 9 1 1 A 4 4 ASN N N 31 120.910 124.089 -3.179 1 1 26 . 9 1 1 A 5 5 SER H H 32 8.360 8.303 0.057 1 1 27 . 9 1 1 A 5 5 SER HA H 32 4.420 4.435 -0.015 1 1 30 . 9 1 1 A 5 5 SER C C 32 174.700 174.771 -0.071 1 1 31 . 9 1 1 A 5 5 SER CA C 32 59.310 59.877 -0.567 1 1 32 . 9 1 1 A 5 5 SER CB C 32 63.410 62.900 0.510 1 1 33 . 9 1 1 A 5 5 SER N N 32 115.920 114.704 1.216 1 1 34 . 9 1 1 A 6 6 GLU H H 33 8.370 8.828 -0.458 1 1 35 . 9 1 1 A 6 6 GLU HA H 33 4.530 3.937 0.593 1 1 40 . 9 1 1 A 6 6 GLU C C 33 176.390 175.546 0.844 1 1 41 . 9 1 1 A 6 6 GLU CA C 33 56.510 57.932 -1.422 1 1 42 . 9 1 1 A 6 6 GLU CB C 33 29.850 28.044 1.806 1 1 44 . 9 1 1 A 6 6 GLU N N 33 121.670 121.752 -0.082 1 1 45 . 9 1 1 A 7 7 LYS H H 34 8.120 7.913 0.207 1 1 46 . 9 1 1 A 7 7 LYS HA H 34 4.370 3.985 0.385 1 1 55 . 9 1 1 A 7 7 LYS C C 34 176.060 175.106 0.954 1 1 56 . 9 1 1 A 7 7 LYS CA C 34 56.140 55.232 0.908 1 1 57 . 9 1 1 A 7 7 LYS CB C 34 33.200 31.777 1.423 1 1 61 . 9 1 1 A 7 7 LYS N N 34 121.020 119.588 1.432 1 1 62 . 9 1 1 A 8 8 GLU H H 35 8.550 8.494 0.056 1 1 63 . 9 1 1 A 8 8 GLU HA H 35 4.830 4.416 0.414 1 1 68 . 9 1 1 A 8 8 GLU C C 35 175.050 175.056 -0.006 1 1 69 . 9 1 1 A 8 8 GLU CA C 35 56.390 56.011 0.379 1 1 70 . 9 1 1 A 8 8 GLU CB C 35 31.340 29.656 1.684 1 1 72 . 9 1 1 A 8 8 GLU N N 35 122.450 123.804 -1.354 1 1 73 . 9 1 1 A 9 9 TRP H H 36 9.680 8.917 0.763 1 1 74 . 9 1 1 A 9 9 TRP HA H 36 4.860 5.121 -0.261 1 1 80 . 9 1 1 A 9 9 TRP C C 36 175.390 175.855 -0.465 1 1 81 . 9 1 1 A 9 9 TRP CA C 36 55.890 56.199 -0.309 1 1 82 . 9 1 1 A 9 9 TRP CB C 36 30.810 30.390 0.420 1 1 85 . 9 1 1 A 9 9 TRP N N 36 122.800 127.087 -4.287 1 1 87 . 9 1 1 A 10 10 HIS H H 37 9.690 9.190 0.500 1 1 88 . 9 1 1 A 10 10 HIS HA H 37 4.990 4.942 0.048 1 1 93 . 9 1 1 A 10 10 HIS C C 37 174.840 174.670 0.170 1 1 94 . 9 1 1 A 10 10 HIS CA C 37 54.720 55.941 -1.221 1 1 95 . 9 1 1 A 10 10 HIS CB C 37 29.840 29.749 0.091 1 1 98 . 9 1 1 A 10 10 HIS N N 37 120.400 123.149 -2.749 1 1 99 . 9 1 1 A 11 11 ILE H H 38 7.740 8.192 -0.452 1 1 100 . 9 1 1 A 11 11 ILE HA H 38 4.360 4.638 -0.278 1 1 110 . 9 1 1 A 11 11 ILE C C 38 175.030 175.604 -0.574 1 1 111 . 9 1 1 A 11 11 ILE CA C 38 62.110 62.006 0.104 1 1 112 . 9 1 1 A 11 11 ILE CB C 38 37.590 37.971 -0.381 1 1 116 . 9 1 1 A 11 11 ILE N N 38 121.700 125.390 -3.690 1 1 117 . 9 1 1 A 12 12 VAL H H 39 9.370 9.111 0.259 1 1 118 . 9 1 1 A 12 12 VAL HA H 39 4.690 4.522 0.168 1 1 126 . 9 1 1 A 12 12 VAL CA C 39 58.500 58.539 -0.039 1 1 127 . 9 1 1 A 12 12 VAL CB C 39 34.970 34.370 0.600 1 1 130 . 9 1 1 A 12 12 VAL N N 39 130.310 127.683 2.627 1 1 131 . 9 1 1 A 13 13 PRO HA H 40 4.470 4.985 -0.515 1 1 138 . 9 1 1 A 13 13 PRO C C 40 175.070 176.834 -1.764 1 1 139 . 9 1 1 A 13 13 PRO CA C 40 63.130 62.302 0.828 1 1 140 . 9 1 1 A 13 13 PRO CB C 40 33.580 32.169 1.411 1 1 143 . 9 1 1 A 14 14 VAL H H 41 7.970 9.011 -1.041 1 1 144 . 9 1 1 A 14 14 VAL HA H 41 4.170 4.176 -0.006 1 1 152 . 9 1 1 A 14 14 VAL C C 41 175.360 176.457 -1.097 1 1 153 . 9 1 1 A 14 14 VAL CA C 41 63.600 63.870 -0.270 1 1 154 . 9 1 1 A 14 14 VAL CB C 41 34.050 32.962 1.088 1 1 157 . 9 1 1 A 14 14 VAL N N 41 119.000 119.273 -0.273 1 1 158 . 9 1 1 A 15 15 SER H H 42 8.040 7.477 0.563 1 1 159 . 9 1 1 A 15 15 SER HA H 42 4.530 4.467 0.063 1 1 162 . 9 1 1 A 15 15 SER C C 42 176.240 175.108 1.132 1 1 163 . 9 1 1 A 15 15 SER CA C 42 57.620 56.681 0.939 1 1 164 . 9 1 1 A 15 15 SER CB C 42 64.250 64.651 -0.401 1 1 165 . 9 1 1 A 15 15 SER N N 42 113.900 115.533 -1.633 1 1 166 . 9 1 1 A 16 16 LYS H H 43 8.690 8.790 -0.100 1 1 167 . 9 1 1 A 16 16 LYS HA H 43 2.830 2.205 0.625 1 1 176 . 9 1 1 A 16 16 LYS C C 43 177.790 178.372 -0.582 1 1 177 . 9 1 1 A 16 16 LYS CA C 43 58.100 59.072 -0.972 1 1 178 . 9 1 1 A 16 16 LYS CB C 43 31.840 31.672 0.168 1 1 182 . 9 1 1 A 16 16 LYS N N 43 124.940 127.441 -2.501 1 1 183 . 9 1 1 A 17 17 ASP H H 44 8.590 7.888 0.702 1 1 184 . 9 1 1 A 17 17 ASP HA H 44 4.100 4.314 -0.214 1 1 187 . 9 1 1 A 17 17 ASP C C 44 176.670 176.954 -0.284 1 1 188 . 9 1 1 A 17 17 ASP CA C 44 55.580 56.372 -0.792 1 1 189 . 9 1 1 A 17 17 ASP CB C 44 39.300 40.670 -1.370 1 1 190 . 9 1 1 A 17 17 ASP N N 44 118.140 119.345 -1.205 1 1 191 . 9 1 1 A 18 18 TYR H H 45 7.870 7.955 -0.085 1 1 192 . 9 1 1 A 18 18 TYR HA H 45 4.550 4.643 -0.093 1 1 199 . 9 1 1 A 18 18 TYR C C 45 174.860 176.740 -1.880 1 1 200 . 9 1 1 A 18 18 TYR CA C 45 58.510 58.125 0.385 1 1 201 . 9 1 1 A 18 18 TYR CB C 45 39.470 38.849 0.621 1 1 206 . 9 1 1 A 18 18 TYR N N 45 115.260 116.741 -1.481 1 1 207 . 9 1 1 A 19 19 PHE H H 46 7.430 8.121 -0.691 1 1 208 . 9 1 1 A 19 19 PHE HA H 46 4.360 4.441 -0.081 1 1 215 . 9 1 1 A 19 19 PHE C C 46 176.950 177.229 -0.279 1 1 216 . 9 1 1 A 19 19 PHE CA C 46 59.340 60.774 -1.434 1 1 217 . 9 1 1 A 19 19 PHE CB C 46 37.870 37.899 -0.029 1 1 222 . 9 1 1 A 19 19 PHE N N 46 120.020 121.000 -0.980 1 1 223 . 9 1 1 A 20 20 SER H H 47 8.620 7.819 0.801 1 1 224 . 9 1 1 A 20 20 SER HA H 47 4.430 4.598 -0.168 1 1 227 . 9 1 1 A 20 20 SER C C 47 173.980 175.237 -1.257 1 1 228 . 9 1 1 A 20 20 SER CA C 47 58.660 58.550 0.110 1 1 229 . 9 1 1 A 20 20 SER CB C 47 62.850 63.930 -1.080 1 1 230 . 9 1 1 A 20 20 SER N N 47 111.500 112.084 -0.584 1 1 231 . 9 1 1 A 21 21 ILE H H 48 7.660 7.638 0.022 1 1 232 . 9 1 1 A 21 21 ILE HA H 48 4.110 4.206 -0.096 1 1 242 . 9 1 1 A 21 21 ILE CA C 48 59.780 60.728 -0.948 1 1 243 . 9 1 1 A 21 21 ILE CB C 48 38.330 37.989 0.341 1 1 247 . 9 1 1 A 21 21 ILE N N 48 119.380 124.210 -4.830 1 1 248 . 9 1 1 A 22 22 PRO HA H 49 4.500 4.501 -0.001 1 1 255 . 9 1 1 A 22 22 PRO C C 49 176.110 177.499 -1.389 1 1 256 . 9 1 1 A 22 22 PRO CA C 49 62.880 62.701 0.179 1 1 257 . 9 1 1 A 22 22 PRO CB C 49 32.570 33.160 -0.590 1 1 260 . 9 1 1 A 23 23 ASN H H 50 8.630 8.795 -0.165 1 1 261 . 9 1 1 A 23 23 ASN HA H 50 4.800 4.509 0.291 1 1 266 . 9 1 1 A 23 23 ASN C C 50 176.580 174.928 1.652 1 1 267 . 9 1 1 A 23 23 ASN CA C 50 53.610 56.049 -2.439 1 1 268 . 9 1 1 A 23 23 ASN CB C 50 38.490 38.760 -0.270 1 1 269 . 9 1 1 A 23 23 ASN N N 50 117.590 118.683 -1.093 1 1 271 . 9 1 1 A 24 24 ASP H H 51 8.580 7.866 0.714 1 1 272 . 9 1 1 A 24 24 ASP HA H 51 4.760 5.000 -0.240 1 1 275 . 9 1 1 A 24 24 ASP C C 51 175.090 174.130 0.960 1 1 276 . 9 1 1 A 24 24 ASP CA C 51 52.500 54.187 -1.687 1 1 277 . 9 1 1 A 24 24 ASP CB C 51 39.840 42.533 -2.693 1 1 278 . 9 1 1 A 24 24 ASP N N 51 120.490 117.802 2.688 1 1 279 . 9 1 1 A 25 25 LEU H H 52 8.400 9.102 -0.702 1 1 280 . 9 1 1 A 25 25 LEU HA H 52 4.390 5.039 -0.649 1 1 290 . 9 1 1 A 25 25 LEU C C 52 176.340 175.800 0.540 1 1 291 . 9 1 1 A 25 25 LEU CA C 52 55.460 53.621 1.839 1 1 292 . 9 1 1 A 25 25 LEU CB C 52 43.270 44.347 -1.077 1 1 296 . 9 1 1 A 25 25 LEU N N 52 119.530 127.293 -7.763 1 1 297 . 9 1 1 A 26 26 LEU H H 53 8.840 9.333 -0.493 1 1 298 . 9 1 1 A 26 26 LEU HA H 53 5.140 4.829 0.311 1 1 308 . 9 1 1 A 26 26 LEU C C 53 174.620 175.087 -0.467 1 1 309 . 9 1 1 A 26 26 LEU CA C 53 52.840 53.140 -0.300 1 1 310 . 9 1 1 A 26 26 LEU CB C 53 44.070 42.825 1.245 1 1 314 . 9 1 1 A 26 26 LEU N N 53 126.610 123.000 3.610 1 1 315 . 9 1 1 A 27 27 TRP H H 54 9.230 9.355 -0.125 1 1 316 . 9 1 1 A 27 27 TRP HA H 54 5.570 5.179 0.391 1 1 325 . 9 1 1 A 27 27 TRP C C 54 175.740 174.991 0.749 1 1 326 . 9 1 1 A 27 27 TRP CA C 54 54.510 55.429 -0.919 1 1 327 . 9 1 1 A 27 27 TRP CB C 54 31.710 32.243 -0.533 1 1 333 . 9 1 1 A 27 27 TRP N N 54 122.650 128.204 -5.554 1 1 335 . 9 1 1 A 28 28 SER H H 55 9.240 8.928 0.312 1 1 336 . 9 1 1 A 28 28 SER HA H 55 5.490 5.505 -0.015 1 1 339 . 9 1 1 A 28 28 SER C C 55 173.440 173.781 -0.341 1 1 340 . 9 1 1 A 28 28 SER CA C 55 56.990 57.560 -0.570 1 1 341 . 9 1 1 A 28 28 SER CB C 55 66.150 65.442 0.708 1 1 342 . 9 1 1 A 28 28 SER N N 55 121.970 125.026 -3.056 1 1 343 . 9 1 1 A 29 29 PHE H H 56 9.590 9.561 0.029 1 1 344 . 9 1 1 A 29 29 PHE HA H 56 5.150 4.900 0.250 1 1 352 . 9 1 1 A 29 29 PHE C C 56 175.810 175.448 0.362 1 1 353 . 9 1 1 A 29 29 PHE CA C 56 57.180 59.457 -2.277 1 1 354 . 9 1 1 A 29 29 PHE CB C 56 42.370 39.424 2.946 1 1 360 . 9 1 1 A 29 29 PHE N N 56 121.420 127.075 -5.655 1 1 361 . 9 1 1 A 30 30 ASN H H 57 9.400 9.194 0.206 1 1 362 . 9 1 1 A 30 30 ASN HA H 57 5.220 4.978 0.242 1 1 367 . 9 1 1 A 30 30 ASN C C 57 176.540 176.232 0.308 1 1 368 . 9 1 1 A 30 30 ASN CA C 57 52.320 51.667 0.653 1 1 369 . 9 1 1 A 30 30 ASN CB C 57 38.520 38.049 0.471 1 1 370 . 9 1 1 A 30 30 ASN N N 57 120.660 123.613 -2.953 1 1 372 . 9 1 1 A 31 31 THR H H 58 9.180 8.252 0.928 1 1 373 . 9 1 1 A 31 31 THR HA H 58 4.800 4.653 0.147 1 1 378 . 9 1 1 A 31 31 THR C C 58 176.950 175.665 1.285 1 1 379 . 9 1 1 A 31 31 THR CA C 58 63.430 63.451 -0.021 1 1 380 . 9 1 1 A 31 31 THR CB C 58 68.110 69.148 -1.038 1 1 382 . 9 1 1 A 31 31 THR N N 58 114.630 118.376 -3.746 1 1 383 . 9 1 1 A 32 32 THR H H 59 8.450 7.725 0.725 1 1 384 . 9 1 1 A 32 32 THR HA H 59 4.130 4.312 -0.182 1 1 389 . 9 1 1 A 32 32 THR C C 59 175.130 174.664 0.466 1 1 390 . 9 1 1 A 32 32 THR CA C 59 65.550 64.783 0.767 1 1 391 . 9 1 1 A 32 32 THR CB C 59 68.200 69.488 -1.288 1 1 393 . 9 1 1 A 32 32 THR N N 59 120.020 116.523 3.497 1 1 394 . 9 1 1 A 33 33 ASN H H 60 7.500 7.929 -0.429 1 1 395 . 9 1 1 A 33 33 ASN HA H 60 4.690 4.940 -0.250 1 1 400 . 9 1 1 A 33 33 ASN C C 60 174.230 175.017 -0.787 1 1 401 . 9 1 1 A 33 33 ASN CA C 60 51.650 51.765 -0.115 1 1 402 . 9 1 1 A 33 33 ASN CB C 60 37.870 38.296 -0.426 1 1 403 . 9 1 1 A 33 33 ASN N N 60 117.490 116.832 0.658 1 1 405 . 9 1 1 A 34 34 LYS H H 61 7.580 7.926 -0.346 1 1 406 . 9 1 1 A 34 34 LYS HA H 61 3.500 4.154 -0.654 1 1 415 . 9 1 1 A 34 34 LYS C C 61 172.880 174.894 -2.014 1 1 416 . 9 1 1 A 34 34 LYS CA C 61 57.160 57.156 0.004 1 1 417 . 9 1 1 A 34 34 LYS CB C 61 28.540 30.009 -1.469 1 1 421 . 9 1 1 A 34 34 LYS N N 61 118.030 117.577 0.453 1 1 422 . 9 1 1 A 35 35 SER H H 62 8.560 8.460 0.100 1 1 423 . 9 1 1 A 35 35 SER HA H 62 5.670 5.114 0.556 1 1 426 . 9 1 1 A 35 35 SER C C 62 173.510 172.613 0.897 1 1 427 . 9 1 1 A 35 35 SER CA C 62 56.110 57.016 -0.906 1 1 428 . 9 1 1 A 35 35 SER CB C 62 67.800 66.267 1.533 1 1 429 . 9 1 1 A 35 35 SER N N 62 109.720 110.196 -0.476 1 1 430 . 9 1 1 A 36 36 ILE H H 63 8.750 9.618 -0.868 1 1 431 . 9 1 1 A 36 36 ILE HA H 63 4.940 4.851 0.089 1 1 441 . 9 1 1 A 36 36 ILE C C 63 174.660 174.886 -0.226 1 1 442 . 9 1 1 A 36 36 ILE CA C 63 58.180 60.438 -2.258 1 1 443 . 9 1 1 A 36 36 ILE CB C 63 40.660 38.671 1.989 1 1 447 . 9 1 1 A 36 36 ILE N N 63 117.490 122.495 -5.005 1 1 448 . 9 1 1 A 37 37 ASN H H 64 8.400 9.103 -0.703 1 1 449 . 9 1 1 A 37 37 ASN HA H 64 5.650 5.500 0.150 1 1 454 . 9 1 1 A 37 37 ASN C C 64 173.490 174.238 -0.748 1 1 455 . 9 1 1 A 37 37 ASN CA C 64 51.670 52.257 -0.587 1 1 456 . 9 1 1 A 37 37 ASN CB C 64 41.900 39.584 2.316 1 1 457 . 9 1 1 A 37 37 ASN N N 64 122.180 125.935 -3.755 1 1 459 . 9 1 1 A 38 38 VAL H H 65 8.900 8.824 0.076 1 1 460 . 9 1 1 A 38 38 VAL HA H 65 5.540 4.745 0.795 1 1 468 . 9 1 1 A 38 38 VAL C C 65 174.590 175.113 -0.523 1 1 469 . 9 1 1 A 38 38 VAL CA C 65 60.060 61.123 -1.063 1 1 470 . 9 1 1 A 38 38 VAL CB C 65 34.870 32.725 2.145 1 1 473 . 9 1 1 A 38 38 VAL N N 65 122.060 125.624 -3.564 1 1 474 . 9 1 1 A 39 39 TYR H H 66 8.910 8.844 0.066 1 1 475 . 9 1 1 A 39 39 TYR HA H 66 5.490 5.866 -0.376 1 1 482 . 9 1 1 A 39 39 TYR C C 66 172.810 173.505 -0.695 1 1 483 . 9 1 1 A 39 39 TYR CA C 66 56.220 55.708 0.512 1 1 484 . 9 1 1 A 39 39 TYR CB C 66 40.620 42.326 -1.706 1 1 489 . 9 1 1 A 39 39 TYR N N 66 123.530 124.307 -0.777 1 1 490 . 9 1 1 A 40 40 SER H H 67 8.970 9.417 -0.447 1 1 491 . 9 1 1 A 40 40 SER HA H 67 4.780 4.987 -0.207 1 1 495 . 9 1 1 A 40 40 SER C C 67 174.360 174.841 -0.481 1 1 496 . 9 1 1 A 40 40 SER CA C 67 56.580 56.724 -0.144 1 1 497 . 9 1 1 A 40 40 SER CB C 67 66.290 66.107 0.183 1 1 498 . 9 1 1 A 40 40 SER N N 67 115.210 114.702 0.508 1 1 499 . 9 1 1 A 41 41 LYS H H 68 9.020 8.594 0.426 1 1 500 . 9 1 1 A 41 41 LYS HA H 68 4.210 4.172 0.038 1 1 509 . 9 1 1 A 41 41 LYS C C 68 177.730 177.268 0.462 1 1 510 . 9 1 1 A 41 41 LYS CA C 68 59.240 58.407 0.833 1 1 511 . 9 1 1 A 41 41 LYS CB C 68 31.660 31.726 -0.066 1 1 515 . 9 1 1 A 41 41 LYS N N 68 118.790 117.830 0.960 1 1 516 . 9 1 1 A 42 42 CYS H H 69 8.090 7.795 0.295 1 1 517 . 9 1 1 A 42 42 CYS HA H 69 4.750 4.772 -0.022 1 1 520 . 9 1 1 A 42 42 CYS C C 69 173.260 173.605 -0.345 1 1 521 . 9 1 1 A 42 42 CYS CA C 69 52.780 56.824 -4.044 1 1 522 . 9 1 1 A 42 42 CYS CB C 69 39.470 45.155 -5.685 1 1 523 . 9 1 1 A 42 42 CYS N N 69 113.650 115.544 -1.894 1 1 524 . 9 1 1 A 43 43 ILE H H 70 7.550 7.783 -0.233 1 1 525 . 9 1 1 A 43 43 ILE HA H 70 5.210 5.061 0.149 1 1 535 . 9 1 1 A 43 43 ILE C C 70 171.870 174.496 -2.626 1 1 536 . 9 1 1 A 43 43 ILE CA C 70 59.800 60.324 -0.524 1 1 537 . 9 1 1 A 43 43 ILE CB C 70 42.550 40.962 1.588 1 1 541 . 9 1 1 A 43 43 ILE N N 70 118.580 121.666 -3.086 1 1 542 . 9 1 1 A 44 44 SER H H 71 8.190 9.208 -1.018 1 1 543 . 9 1 1 A 44 44 SER HA H 71 5.190 5.414 -0.224 1 1 546 . 9 1 1 A 44 44 SER C C 71 173.790 173.245 0.545 1 1 547 . 9 1 1 A 44 44 SER CA C 71 56.980 57.946 -0.966 1 1 548 . 9 1 1 A 44 44 SER CB C 71 64.910 65.602 -0.692 1 1 549 . 9 1 1 A 44 44 SER N N 71 117.640 124.037 -6.397 1 1 550 . 9 1 1 A 45 45 GLY H H 72 9.720 8.823 0.897 1 1 551 . 9 1 1 A 45 45 GLY HA2 H 72 5.280 4.440 0.840 1 1 552 . 9 1 1 A 45 45 GLY HA3 H 72 3.460 4.443 -0.983 1 1 553 . 9 1 1 A 45 45 GLY C C 72 171.300 172.568 -1.268 1 1 554 . 9 1 1 A 45 45 GLY CA C 72 45.230 44.662 0.568 1 1 555 . 9 1 1 A 45 45 GLY N N 72 114.160 112.720 1.440 1 1 556 . 9 1 1 A 46 46 LYS H H 73 8.340 8.377 -0.037 1 1 557 . 9 1 1 A 46 46 LYS HA H 73 5.530 5.239 0.291 1 1 566 . 9 1 1 A 46 46 LYS C C 73 174.510 175.160 -0.650 1 1 567 . 9 1 1 A 46 46 LYS CA C 73 54.930 54.491 0.439 1 1 568 . 9 1 1 A 46 46 LYS CB C 73 36.420 35.127 1.293 1 1 572 . 9 1 1 A 46 46 LYS N N 73 123.520 118.917 4.603 1 1 573 . 9 1 1 A 47 47 ALA H H 74 8.440 8.327 0.113 1 1 574 . 9 1 1 A 47 47 ALA HA H 74 4.400 5.172 -0.772 1 1 578 . 9 1 1 A 47 47 ALA C C 74 175.850 174.650 1.200 1 1 579 . 9 1 1 A 47 47 ALA CA C 74 49.860 51.156 -1.296 1 1 580 . 9 1 1 A 47 47 ALA CB C 74 20.750 22.079 -1.329 1 1 581 . 9 1 1 A 47 47 ALA N N 74 125.710 120.690 5.020 1 1 582 . 9 1 1 A 48 48 VAL H H 75 7.840 8.299 -0.459 1 1 583 . 9 1 1 A 48 48 VAL HA H 75 4.640 4.523 0.117 1 1 591 . 9 1 1 A 48 48 VAL C C 75 176.660 174.957 1.703 1 1 592 . 9 1 1 A 48 48 VAL CA C 75 61.160 59.781 1.379 1 1 593 . 9 1 1 A 48 48 VAL CB C 75 32.180 33.980 -1.800 1 1 596 . 9 1 1 A 48 48 VAL N N 75 120.660 119.777 0.883 1 1 597 . 9 1 1 A 49 49 TYR H H 76 8.340 8.427 -0.087 1 1 598 . 9 1 1 A 49 49 TYR HA H 76 5.230 5.822 -0.592 1 1 605 . 9 1 1 A 49 49 TYR C C 76 173.480 173.990 -0.510 1 1 606 . 9 1 1 A 49 49 TYR CA C 76 54.940 55.020 -0.080 1 1 607 . 9 1 1 A 49 49 TYR CB C 76 42.030 41.690 0.340 1 1 612 . 9 1 1 A 49 49 TYR N N 76 126.510 126.685 -0.175 1 1 613 . 9 1 1 A 50 50 SER H H 77 8.360 8.372 -0.012 1 1 614 . 9 1 1 A 50 50 SER HA H 77 4.560 5.192 -0.632 1 1 617 . 9 1 1 A 50 50 SER C C 77 171.180 172.506 -1.326 1 1 618 . 9 1 1 A 50 50 SER CA C 77 56.890 57.041 -0.151 1 1 619 . 9 1 1 A 50 50 SER CB C 77 65.650 66.486 -0.836 1 1 620 . 9 1 1 A 50 50 SER N N 77 111.300 114.156 -2.856 1 1 621 . 9 1 1 A 51 51 PHE H H 78 8.660 8.792 -0.132 1 1 622 . 9 1 1 A 51 51 PHE HA H 78 5.860 5.882 -0.022 1 1 630 . 9 1 1 A 51 51 PHE C C 78 176.800 174.554 2.246 1 1 631 . 9 1 1 A 51 51 PHE CA C 78 56.090 56.279 -0.189 1 1 632 . 9 1 1 A 51 51 PHE CB C 78 42.280 42.013 0.267 1 1 638 . 9 1 1 A 51 51 PHE N N 78 116.710 120.323 -3.613 1 1 639 . 9 1 1 A 52 52 ASN H H 79 9.190 9.103 0.087 1 1 640 . 9 1 1 A 52 52 ASN HA H 79 4.900 5.201 -0.301 1 1 645 . 9 1 1 A 52 52 ASN C C 79 174.870 174.572 0.298 1 1 646 . 9 1 1 A 52 52 ASN CA C 79 53.300 52.530 0.770 1 1 647 . 9 1 1 A 52 52 ASN CB C 79 41.350 40.825 0.525 1 1 648 . 9 1 1 A 52 52 ASN N N 79 119.620 120.911 -1.291 1 1 650 . 9 1 1 A 53 53 ALA H H 80 9.650 9.269 0.381 1 1 651 . 9 1 1 A 53 53 ALA HA H 80 4.110 4.095 0.015 1 1 655 . 9 1 1 A 53 53 ALA C C 80 176.800 177.178 -0.378 1 1 656 . 9 1 1 A 53 53 ALA CA C 80 52.860 53.380 -0.520 1 1 657 . 9 1 1 A 53 53 ALA CB C 80 16.760 17.881 -1.121 1 1 658 . 9 1 1 A 53 53 ALA N N 80 131.210 130.005 1.205 1 1 659 . 9 1 1 A 54 54 GLY H H 81 8.850 8.575 0.275 1 1 660 . 9 1 1 A 54 54 GLY HA2 H 81 4.320 3.897 0.423 1 1 661 . 9 1 1 A 54 54 GLY HA3 H 81 4.220 3.909 0.311 1 1 662 . 9 1 1 A 54 54 GLY C C 81 173.950 174.093 -0.143 1 1 663 . 9 1 1 A 54 54 GLY CA C 81 45.320 45.413 -0.093 1 1 664 . 9 1 1 A 54 54 GLY N N 81 104.570 102.722 1.848 1 1 665 . 9 1 1 A 55 55 LYS H H 82 8.030 7.820 0.210 1 1 666 . 9 1 1 A 55 55 LYS HA H 82 4.910 4.457 0.453 1 1 675 . 9 1 1 A 55 55 LYS C C 82 174.120 175.898 -1.778 1 1 676 . 9 1 1 A 55 55 LYS CA C 82 54.350 56.199 -1.849 1 1 677 . 9 1 1 A 55 55 LYS CB C 82 34.010 32.555 1.455 1 1 681 . 9 1 1 A 55 55 LYS N N 82 120.230 120.654 -0.424 1 1 682 . 9 1 1 A 56 56 PHE H H 83 9.390 9.237 0.153 1 1 683 . 9 1 1 A 56 56 PHE HA H 83 4.250 4.773 -0.523 1 1 691 . 9 1 1 A 56 56 PHE C C 83 173.870 174.233 -0.363 1 1 692 . 9 1 1 A 56 56 PHE CA C 83 56.630 56.673 -0.043 1 1 693 . 9 1 1 A 56 56 PHE CB C 83 40.940 40.294 0.646 1 1 699 . 9 1 1 A 56 56 PHE N N 83 125.150 125.623 -0.473 1 1 700 . 9 1 1 A 57 57 MET H H 84 8.270 8.699 -0.429 1 1 701 . 9 1 1 A 57 57 MET HA H 84 5.140 5.936 -0.796 1 1 709 . 9 1 1 A 57 57 MET C C 84 174.090 174.967 -0.877 1 1 710 . 9 1 1 A 57 57 MET CA C 84 53.600 54.095 -0.495 1 1 711 . 9 1 1 A 57 57 MET CB C 84 36.190 37.084 -0.894 1 1 714 . 9 1 1 A 57 57 MET N N 84 124.270 125.240 -0.970 1 1 715 . 9 1 1 A 58 58 GLY H H 85 7.420 8.380 -0.960 1 1 716 . 9 1 1 A 58 58 GLY HA2 H 85 3.900 3.921 -0.021 1 1 717 . 9 1 1 A 58 58 GLY HA3 H 85 2.790 4.013 -1.223 1 1 718 . 9 1 1 A 58 58 GLY C C 85 169.900 171.745 -1.845 1 1 719 . 9 1 1 A 58 58 GLY CA C 85 45.620 44.904 0.716 1 1 720 . 9 1 1 A 58 58 GLY N N 85 103.440 107.895 -4.455 1 1 721 . 9 1 1 A 59 59 ASN H H 86 8.410 8.635 -0.225 1 1 722 . 9 1 1 A 59 59 ASN HA H 86 4.890 5.013 -0.123 1 1 727 . 9 1 1 A 59 59 ASN C C 86 174.650 174.235 0.415 1 1 728 . 9 1 1 A 59 59 ASN CA C 86 51.110 52.288 -1.178 1 1 729 . 9 1 1 A 59 59 ASN CB C 86 38.140 39.353 -1.213 1 1 730 . 9 1 1 A 59 59 ASN N N 86 122.270 121.469 0.801 1 1 732 . 9 1 1 A 60 60 PHE H H 87 8.870 9.027 -0.157 1 1 733 . 9 1 1 A 60 60 PHE HA H 87 4.120 5.219 -1.099 1 1 741 . 9 1 1 A 60 60 PHE C C 87 175.620 175.049 0.571 1 1 742 . 9 1 1 A 60 60 PHE CA C 87 58.850 56.594 2.256 1 1 743 . 9 1 1 A 60 60 PHE CB C 87 39.910 41.026 -1.116 1 1 749 . 9 1 1 A 60 60 PHE N N 87 123.420 126.030 -2.610 1 1 750 . 9 1 1 A 61 61 ASN H H 88 8.610 9.420 -0.810 1 1 751 . 9 1 1 A 61 61 ASN HA H 88 4.900 5.222 -0.322 1 1 756 . 9 1 1 A 61 61 ASN C C 88 175.090 173.910 1.180 1 1 757 . 9 1 1 A 61 61 ASN CA C 88 52.690 52.171 0.519 1 1 758 . 9 1 1 A 61 61 ASN CB C 88 39.830 39.883 -0.053 1 1 759 . 9 1 1 A 61 61 ASN N N 88 121.520 119.430 2.090 1 1 761 . 9 1 1 A 62 62 VAL H H 89 8.890 8.647 0.243 1 1 762 . 9 1 1 A 62 62 VAL HA H 89 4.820 4.748 0.072 1 1 770 . 9 1 1 A 62 62 VAL C C 89 174.650 174.348 0.302 1 1 771 . 9 1 1 A 62 62 VAL CA C 89 60.870 61.654 -0.784 1 1 772 . 9 1 1 A 62 62 VAL CB C 89 34.690 33.318 1.372 1 1 775 . 9 1 1 A 62 62 VAL N N 89 123.750 124.444 -0.694 1 1 776 . 9 1 1 A 63 63 LYS H H 90 8.750 9.245 -0.495 1 1 777 . 9 1 1 A 63 63 LYS HA H 90 4.670 5.009 -0.339 1 1 786 . 9 1 1 A 63 63 LYS C C 90 174.990 175.466 -0.476 1 1 787 . 9 1 1 A 63 63 LYS CA C 90 55.010 54.912 0.098 1 1 788 . 9 1 1 A 63 63 LYS CB C 90 34.030 34.911 -0.881 1 1 792 . 9 1 1 A 63 63 LYS N N 90 126.210 127.484 -1.274 1 1 793 . 9 1 1 A 64 64 GLU H H 91 9.170 8.946 0.224 1 1 794 . 9 1 1 A 64 64 GLU HA H 91 5.020 5.112 -0.092 1 1 799 . 9 1 1 A 64 64 GLU C C 91 175.680 174.687 0.993 1 1 800 . 9 1 1 A 64 64 GLU CA C 91 54.400 54.706 -0.306 1 1 801 . 9 1 1 A 64 64 GLU CB C 91 32.690 33.563 -0.873 1 1 803 . 9 1 1 A 64 64 GLU N N 91 128.500 124.494 4.006 1 1 804 . 9 1 1 A 65 65 VAL H H 92 8.330 8.896 -0.566 1 1 805 . 9 1 1 A 65 65 VAL HA H 92 3.880 4.793 -0.913 1 1 813 . 9 1 1 A 65 65 VAL C C 92 175.940 175.191 0.749 1 1 814 . 9 1 1 A 65 65 VAL CA C 92 62.290 60.552 1.738 1 1 815 . 9 1 1 A 65 65 VAL CB C 92 32.080 33.542 -1.462 1 1 818 . 9 1 1 A 65 65 VAL N N 92 126.870 118.293 8.577 1 1 819 . 9 1 1 A 66 66 ASP H H 93 8.810 8.608 0.202 1 1 820 . 9 1 1 A 66 66 ASP HA H 93 4.440 5.104 -0.664 1 1 823 . 9 1 1 A 66 66 ASP C C 93 177.330 177.103 0.227 1 1 824 . 9 1 1 A 66 66 ASP CA C 93 55.950 53.352 2.598 1 1 825 . 9 1 1 A 66 66 ASP CB C 93 40.760 43.007 -2.247 1 1 826 . 9 1 1 A 66 66 ASP N N 93 130.720 122.205 8.515 1 1 827 . 9 1 1 A 67 67 GLY H H 94 8.910 8.556 0.354 1 1 828 . 9 1 1 A 67 67 GLY HA2 H 94 4.020 3.927 0.093 1 1 829 . 9 1 1 A 67 67 GLY HA3 H 94 3.820 3.929 -0.109 1 1 830 . 9 1 1 A 67 67 GLY C C 94 173.530 174.820 -1.290 1 1 831 . 9 1 1 A 67 67 GLY CA C 94 45.830 45.202 0.628 1 1 832 . 9 1 1 A 67 67 GLY N N 94 112.760 110.464 2.296 1 1 833 . 9 1 1 A 68 68 CYS H H 95 7.540 8.048 -0.508 1 1 834 . 9 1 1 A 68 68 CYS HA H 95 4.260 4.157 0.103 1 1 837 . 9 1 1 A 68 68 CYS C C 95 175.640 174.486 1.154 1 1 838 . 9 1 1 A 68 68 CYS CA C 95 58.280 58.621 -0.341 1 1 839 . 9 1 1 A 68 68 CYS CB C 95 38.240 41.851 -3.611 1 1 840 . 9 1 1 A 68 68 CYS N N 95 119.700 119.865 -0.165 1 1 841 . 9 1 1 A 69 69 PHE H H 96 8.850 7.809 1.041 1 1 842 . 9 1 1 A 69 69 PHE HA H 96 5.010 4.778 0.232 1 1 850 . 9 1 1 A 69 69 PHE C C 96 177.330 175.341 1.989 1 1 851 . 9 1 1 A 69 69 PHE CA C 96 56.460 57.114 -0.654 1 1 852 . 9 1 1 A 69 69 PHE CB C 96 40.020 39.039 0.981 1 1 858 . 9 1 1 A 69 69 PHE N N 96 117.790 117.159 0.631 1 1 859 . 9 1 1 A 70 70 MET H H 97 8.710 8.118 0.592 1 1 860 . 9 1 1 A 70 70 MET HA H 97 4.700 4.174 0.526 1 1 868 . 9 1 1 A 70 70 MET C C 97 177.650 176.044 1.606 1 1 869 . 9 1 1 A 70 70 MET CA C 97 54.570 57.605 -3.035 1 1 870 . 9 1 1 A 70 70 MET CB C 97 33.990 31.449 2.541 1 1 873 . 9 1 1 A 70 70 MET N N 97 119.890 116.307 3.583 1 1 874 . 9 1 1 A 71 71 ASP H H 98 8.980 8.648 0.332 1 1 875 . 9 1 1 A 71 71 ASP HA H 98 4.280 4.829 -0.549 1 1 878 . 9 1 1 A 71 71 ASP C C 98 177.920 177.009 0.911 1 1 879 . 9 1 1 A 71 71 ASP CA C 98 58.380 55.354 3.026 1 1 880 . 9 1 1 A 71 71 ASP CB C 98 40.100 43.253 -3.153 1 1 881 . 9 1 1 A 71 71 ASP N N 98 123.440 124.891 -1.451 1 1 882 . 9 1 1 A 72 72 ALA H H 99 8.950 8.081 0.869 1 1 883 . 9 1 1 A 72 72 ALA HA H 99 4.030 4.100 -0.070 1 1 887 . 9 1 1 A 72 72 ALA C C 99 180.740 179.386 1.354 1 1 888 . 9 1 1 A 72 72 ALA CA C 99 55.020 54.476 0.544 1 1 889 . 9 1 1 A 72 72 ALA CB C 99 18.280 18.375 -0.095 1 1 890 . 9 1 1 A 72 72 ALA N N 99 119.200 122.535 -3.335 1 1 891 . 9 1 1 A 73 73 GLN H H 100 7.120 7.758 -0.638 1 1 892 . 9 1 1 A 73 73 GLN HA H 100 4.020 4.562 -0.542 1 1 899 . 9 1 1 A 73 73 GLN C C 100 176.880 178.337 -1.457 1 1 900 . 9 1 1 A 73 73 GLN CA C 100 57.720 58.678 -0.958 1 1 901 . 9 1 1 A 73 73 GLN CB C 100 28.940 28.303 0.637 1 1 903 . 9 1 1 A 73 73 GLN N N 100 115.380 118.034 -2.654 1 1 905 . 9 1 1 A 74 74 LYS H H 101 7.760 7.840 -0.080 1 1 906 . 9 1 1 A 74 74 LYS HA H 101 3.510 4.062 -0.552 1 1 915 . 9 1 1 A 74 74 LYS C C 101 177.610 178.558 -0.948 1 1 916 . 9 1 1 A 74 74 LYS CA C 101 58.500 59.092 -0.592 1 1 917 . 9 1 1 A 74 74 LYS CB C 101 31.790 32.362 -0.572 1 1 921 . 9 1 1 A 74 74 LYS N N 101 119.560 121.248 -1.688 1 1 922 . 9 1 1 A 75 75 ILE H H 102 7.760 8.192 -0.432 1 1 923 . 9 1 1 A 75 75 ILE HA H 102 3.750 3.616 0.134 1 1 933 . 9 1 1 A 75 75 ILE C C 102 178.530 177.674 0.856 1 1 934 . 9 1 1 A 75 75 ILE CA C 102 64.200 65.477 -1.277 1 1 935 . 9 1 1 A 75 75 ILE CB C 102 38.170 37.605 0.565 1 1 939 . 9 1 1 A 75 75 ILE N N 102 117.490 119.956 -2.466 1 1 940 . 9 1 1 A 76 76 ALA H H 103 7.090 8.685 -1.595 1 1 941 . 9 1 1 A 76 76 ALA HA H 103 3.990 3.794 0.196 1 1 945 . 9 1 1 A 76 76 ALA C C 103 178.650 180.273 -1.623 1 1 946 . 9 1 1 A 76 76 ALA CA C 103 55.020 55.201 -0.181 1 1 947 . 9 1 1 A 76 76 ALA CB C 103 18.570 18.376 0.194 1 1 948 . 9 1 1 A 76 76 ALA N N 103 121.190 121.827 -0.637 1 1 949 . 9 1 1 A 77 77 ILE H H 104 8.150 7.658 0.492 1 1 950 . 9 1 1 A 77 77 ILE HA H 104 3.420 3.463 -0.043 1 1 960 . 9 1 1 A 77 77 ILE C C 104 176.670 177.145 -0.475 1 1 961 . 9 1 1 A 77 77 ILE CA C 104 63.130 64.635 -1.505 1 1 962 . 9 1 1 A 77 77 ILE CB C 104 36.680 36.444 0.236 1 1 966 . 9 1 1 A 77 77 ILE N N 104 119.240 118.383 0.857 1 1 967 . 9 1 1 A 78 78 ASP H H 105 8.290 8.745 -0.455 1 1 968 . 9 1 1 A 78 78 ASP HA H 105 4.440 4.224 0.216 1 1 971 . 9 1 1 A 78 78 ASP C C 105 180.350 178.519 1.831 1 1 972 . 9 1 1 A 78 78 ASP CA C 105 57.440 57.851 -0.411 1 1 973 . 9 1 1 A 78 78 ASP CB C 105 39.430 41.648 -2.218 1 1 974 . 9 1 1 A 78 78 ASP N N 105 121.080 121.812 -0.732 1 1 975 . 9 1 1 A 79 79 LYS H H 106 7.960 8.180 -0.220 1 1 976 . 9 1 1 A 79 79 LYS HA H 106 4.010 4.033 -0.023 1 1 985 . 9 1 1 A 79 79 LYS C C 106 178.580 178.969 -0.389 1 1 986 . 9 1 1 A 79 79 LYS CA C 106 59.780 59.296 0.484 1 1 987 . 9 1 1 A 79 79 LYS CB C 106 31.800 32.155 -0.355 1 1 991 . 9 1 1 A 79 79 LYS N N 106 121.340 118.755 2.585 1 1 992 . 9 1 1 A 80 80 LEU H H 107 8.230 8.025 0.205 1 1 993 . 9 1 1 A 80 80 LEU HA H 107 3.990 4.239 -0.249 1 1 1003 . 9 1 1 A 80 80 LEU C C 107 178.230 178.504 -0.274 1 1 1004 . 9 1 1 A 80 80 LEU CA C 107 58.570 58.209 0.361 1 1 1005 . 9 1 1 A 80 80 LEU CB C 107 41.110 41.367 -0.257 1 1 1009 . 9 1 1 A 80 80 LEU N N 107 123.530 121.088 2.442 1 1 1010 . 9 1 1 A 81 81 PHE H H 108 8.050 8.432 -0.382 1 1 1011 . 9 1 1 A 81 81 PHE HA H 108 4.350 3.869 0.481 1 1 1019 . 9 1 1 A 81 81 PHE C C 108 179.570 178.775 0.795 1 1 1020 . 9 1 1 A 81 81 PHE CA C 108 61.070 60.645 0.425 1 1 1021 . 9 1 1 A 81 81 PHE CB C 108 37.010 37.923 -0.913 1 1 1027 . 9 1 1 A 81 81 PHE N N 108 116.720 117.631 -0.911 1 1 1028 . 9 1 1 A 82 82 SER H H 109 8.410 8.404 0.006 1 1 1029 . 9 1 1 A 82 82 SER HA H 109 4.360 4.328 0.032 1 1 1032 . 9 1 1 A 82 82 SER C C 109 176.200 177.665 -1.465 1 1 1033 . 9 1 1 A 82 82 SER CA C 109 61.830 61.474 0.356 1 1 1034 . 9 1 1 A 82 82 SER CB C 109 62.570 62.671 -0.101 1 1 1035 . 9 1 1 A 82 82 SER N N 109 118.120 115.553 2.567 1 1 1036 . 9 1 1 A 83 83 MET H H 110 8.420 8.248 0.172 1 1 1037 . 9 1 1 A 83 83 MET HA H 110 4.210 4.147 0.063 1 1 1043 . 9 1 1 A 83 83 MET C C 110 178.260 178.823 -0.563 1 1 1044 . 9 1 1 A 83 83 MET CA C 110 59.170 59.059 0.111 1 1 1045 . 9 1 1 A 83 83 MET CB C 110 31.240 32.729 -1.489 1 1 1047 . 9 1 1 A 83 83 MET N N 110 123.040 120.507 2.533 1 1 1048 . 9 1 1 A 84 84 LEU H H 111 8.080 8.159 -0.079 1 1 1049 . 9 1 1 A 84 84 LEU HA H 111 4.140 4.032 0.108 1 1 1059 . 9 1 1 A 84 84 LEU C C 111 178.030 179.413 -1.383 1 1 1060 . 9 1 1 A 84 84 LEU CA C 111 57.390 58.290 -0.900 1 1 1061 . 9 1 1 A 84 84 LEU CB C 111 41.430 41.768 -0.338 1 1 1065 . 9 1 1 A 84 84 LEU N N 111 117.910 119.837 -1.927 1 1 1066 . 9 1 1 A 85 85 LYS H H 112 7.640 8.067 -0.427 1 1 1067 . 9 1 1 A 85 85 LYS HA H 112 4.110 4.119 -0.009 1 1 1076 . 9 1 1 A 85 85 LYS C C 112 177.650 177.979 -0.329 1 1 1077 . 9 1 1 A 85 85 LYS CA C 112 58.750 59.472 -0.722 1 1 1078 . 9 1 1 A 85 85 LYS CB C 112 32.240 31.977 0.263 1 1 1082 . 9 1 1 A 85 85 LYS N N 112 119.340 117.740 1.600 1 1 1083 . 9 1 1 A 86 86 ASP H H 113 7.350 7.646 -0.296 1 1 1084 . 9 1 1 A 86 86 ASP HA H 113 4.570 4.715 -0.145 1 1 1087 . 9 1 1 A 86 86 ASP C C 113 176.950 176.444 0.506 1 1 1088 . 9 1 1 A 86 86 ASP CA C 113 55.770 54.124 1.646 1 1 1089 . 9 1 1 A 86 86 ASP CB C 113 42.420 41.421 0.999 1 1 1090 . 9 1 1 A 86 86 ASP N N 113 117.210 117.318 -0.108 1 1 1091 . 9 1 1 A 87 87 GLY H H 114 7.760 7.812 -0.052 1 1 1092 . 9 1 1 A 87 87 GLY HA2 H 114 4.380 4.078 0.302 1 1 1093 . 9 1 1 A 87 87 GLY HA3 H 114 4.380 4.089 0.291 1 1 1094 . 9 1 1 A 87 87 GLY C C 114 173.000 174.162 -1.162 1 1 1095 . 9 1 1 A 87 87 GLY CA C 114 44.490 45.754 -1.264 1 1 1096 . 9 1 1 A 87 87 GLY N N 114 107.740 107.259 0.481 1 1 1097 . 9 1 1 A 88 88 VAL H H 115 9.350 8.509 0.841 1 1 1098 . 9 1 1 A 88 88 VAL HA H 115 4.960 4.673 0.287 1 1 1106 . 9 1 1 A 88 88 VAL C C 115 173.100 174.692 -1.592 1 1 1107 . 9 1 1 A 88 88 VAL CA C 115 58.650 62.686 -4.036 1 1 1108 . 9 1 1 A 88 88 VAL CB C 115 35.910 33.053 2.857 1 1 1111 . 9 1 1 A 88 88 VAL N N 115 118.050 123.175 -5.125 1 1 1112 . 9 1 1 A 89 89 VAL H H 116 9.000 9.600 -0.600 1 1 1113 . 9 1 1 A 89 89 VAL HA H 116 4.550 4.939 -0.389 1 1 1121 . 9 1 1 A 89 89 VAL C C 116 174.640 174.880 -0.240 1 1 1122 . 9 1 1 A 89 89 VAL CA C 116 61.360 59.962 1.398 1 1 1123 . 9 1 1 A 89 89 VAL CB C 116 33.760 34.188 -0.428 1 1 1126 . 9 1 1 A 89 89 VAL N N 116 121.030 127.880 -6.850 1 1 1127 . 9 1 1 A 90 90 LEU H H 117 8.950 8.693 0.257 1 1 1128 . 9 1 1 A 90 90 LEU HA H 117 5.160 5.333 -0.173 1 1 1138 . 9 1 1 A 90 90 LEU C C 117 176.150 176.675 -0.525 1 1 1139 . 9 1 1 A 90 90 LEU CA C 117 52.230 54.827 -2.597 1 1 1140 . 9 1 1 A 90 90 LEU CB C 117 44.280 41.658 2.622 1 1 1144 . 9 1 1 A 90 90 LEU N N 117 125.420 129.550 -4.130 1 1 1145 . 9 1 1 A 91 91 LYS H H 118 8.280 8.600 -0.320 1 1 1146 . 9 1 1 A 91 91 LYS HA H 118 4.900 4.547 0.353 1 1 1155 . 9 1 1 A 91 91 LYS C C 118 175.300 175.149 0.151 1 1 1156 . 9 1 1 A 91 91 LYS CA C 118 53.810 55.338 -1.528 1 1 1157 . 9 1 1 A 91 91 LYS CB C 118 36.840 36.680 0.160 1 1 1161 . 9 1 1 A 91 91 LYS N N 118 119.720 121.690 -1.970 1 1 1162 . 9 1 1 A 92 92 GLY H H 119 9.030 8.296 0.734 1 1 1163 . 9 1 1 A 92 92 GLY HA2 H 119 3.750 4.256 -0.506 1 1 1164 . 9 1 1 A 92 92 GLY HA3 H 119 3.750 4.261 -0.511 1 1 1165 . 9 1 1 A 92 92 GLY CA C 119 43.980 45.352 -1.372 1 1 1166 . 9 1 1 A 92 92 GLY N N 119 109.730 108.636 1.094 1 1 1167 . 9 1 1 A 94 94 LYS HA H 121 4.760 4.701 0.059 1 1 1168 . 9 1 1 A 95 95 ILE H H 122 7.700 8.877 -1.177 1 1 1169 . 9 1 1 A 95 95 ILE HA H 122 4.160 4.919 -0.759 1 1 1179 . 9 1 1 A 95 95 ILE CA C 122 61.270 58.794 2.476 1 1 1180 . 9 1 1 A 95 95 ILE CB C 122 37.590 42.212 -4.622 1 1 1184 . 9 1 1 A 95 95 ILE N N 122 117.400 125.331 -7.931 1 1 1185 . 9 1 1 A 98 98 THR HA H 125 5.810 4.858 0.952 1 1 1190 . 9 1 1 A 98 98 THR CA C 125 61.740 61.106 0.634 1 1 1191 . 9 1 1 A 98 98 THR CB C 125 73.450 72.427 1.023 1 1 1193 . 9 1 1 A 99 99 ILE HA H 126 4.630 4.470 0.160 1 1 1203 . 9 1 1 A 99 99 ILE C C 126 174.430 174.999 -0.569 1 1 1204 . 9 1 1 A 99 99 ILE CA C 126 59.980 60.652 -0.672 1 1 1205 . 9 1 1 A 99 99 ILE CB C 126 40.970 38.411 2.559 1 1 1209 . 9 1 1 A 100 100 LEU H H 127 9.530 8.628 0.902 1 1 1210 . 9 1 1 A 100 100 LEU HA H 127 4.420 5.077 -0.657 1 1 1220 . 9 1 1 A 100 100 LEU C C 127 174.930 175.433 -0.503 1 1 1221 . 9 1 1 A 100 100 LEU CA C 127 54.030 53.521 0.509 1 1 1222 . 9 1 1 A 100 100 LEU CB C 127 42.520 45.463 -2.943 1 1 1226 . 9 1 1 A 100 100 LEU N N 127 127.300 126.350 0.950 1 1 1227 . 9 1 1 A 101 101 ILE H H 128 8.260 9.348 -1.088 1 1 1228 . 9 1 1 A 101 101 ILE HA H 128 4.320 4.691 -0.371 1 1 1238 . 9 1 1 A 101 101 ILE C C 128 173.880 174.590 -0.710 1 1 1239 . 9 1 1 A 101 101 ILE CA C 128 60.900 60.278 0.622 1 1 1240 . 9 1 1 A 101 101 ILE CB C 128 37.410 38.429 -1.019 1 1 1244 . 9 1 1 A 101 101 ILE N N 128 119.990 123.809 -3.819 1 1 1245 . 9 1 1 A 102 102 GLU H H 129 9.580 8.731 0.849 1 1 1246 . 9 1 1 A 102 102 GLU HA H 129 5.120 5.416 -0.296 1 1 1251 . 9 1 1 A 102 102 GLU C C 129 174.240 174.689 -0.449 1 1 1252 . 9 1 1 A 102 102 GLU CA C 129 54.050 54.856 -0.806 1 1 1253 . 9 1 1 A 102 102 GLU CB C 129 33.630 33.675 -0.045 1 1 1255 . 9 1 1 A 102 102 GLU N N 129 129.780 129.698 0.082 1 1 1256 . 9 1 1 A 103 103 LYS H H 130 8.680 8.548 0.132 1 1 1257 . 9 1 1 A 103 103 LYS HA H 130 4.720 4.820 -0.100 1 1 1264 . 9 1 1 A 103 103 LYS C C 130 175.280 174.784 0.496 1 1 1265 . 9 1 1 A 103 103 LYS CA C 130 55.190 55.340 -0.150 1 1 1266 . 9 1 1 A 103 103 LYS CB C 130 36.750 35.598 1.152 1 1 1270 . 9 1 1 A 103 103 LYS N N 130 123.420 122.730 0.690 1 1 1271 . 9 1 1 A 104 104 ASP H H 131 9.530 9.398 0.132 1 1 1272 . 9 1 1 A 104 104 ASP HA H 131 4.290 4.373 -0.083 1 1 1275 . 9 1 1 A 104 104 ASP C C 131 176.090 176.412 -0.322 1 1 1276 . 9 1 1 A 104 104 ASP CA C 131 55.370 55.282 0.088 1 1 1277 . 9 1 1 A 104 104 ASP CB C 131 39.260 39.212 0.048 1 1 1278 . 9 1 1 A 104 104 ASP N N 131 127.440 120.202 7.238 1 1 1279 . 9 1 1 A 105 105 GLY H H 132 8.970 8.662 0.308 1 1 1280 . 9 1 1 A 105 105 GLY HA2 H 132 4.090 3.855 0.235 1 1 1281 . 9 1 1 A 105 105 GLY HA3 H 132 3.550 3.855 -0.305 1 1 1282 . 9 1 1 A 105 105 GLY C C 132 173.130 173.510 -0.380 1 1 1283 . 9 1 1 A 105 105 GLY CA C 132 45.230 45.456 -0.226 1 1 1284 . 9 1 1 A 105 105 GLY N N 132 103.820 104.768 -0.948 1 1 1285 . 9 1 1 A 106 106 GLU H H 133 7.720 7.672 0.048 1 1 1286 . 9 1 1 A 106 106 GLU HA H 133 4.720 4.821 -0.101 1 1 1291 . 9 1 1 A 106 106 GLU C C 133 174.940 174.427 0.513 1 1 1292 . 9 1 1 A 106 106 GLU CA C 133 53.770 54.511 -0.741 1 1 1293 . 9 1 1 A 106 106 GLU CB C 133 32.820 32.463 0.357 1 1 1295 . 9 1 1 A 106 106 GLU N N 133 120.200 115.458 4.742 1 1 1296 . 9 1 1 A 107 107 VAL H H 134 8.900 8.787 0.113 1 1 1297 . 9 1 1 A 107 107 VAL HA H 134 3.760 4.264 -0.504 1 1 1305 . 9 1 1 A 107 107 VAL C C 134 175.340 175.977 -0.637 1 1 1306 . 9 1 1 A 107 107 VAL CA C 134 64.230 61.685 2.545 1 1 1307 . 9 1 1 A 107 107 VAL CB C 134 31.160 32.889 -1.729 1 1 1310 . 9 1 1 A 107 107 VAL N N 134 125.990 122.606 3.384 1 1 1311 . 9 1 1 A 108 108 LYS H H 135 9.250 8.669 0.581 1 1 1312 . 9 1 1 A 108 108 LYS HA H 135 4.810 4.524 0.286 1 1 1321 . 9 1 1 A 108 108 LYS C C 135 174.390 175.690 -1.300 1 1 1322 . 9 1 1 A 108 108 LYS CA C 135 54.740 55.819 -1.079 1 1 1323 . 9 1 1 A 108 108 LYS CB C 135 34.690 33.646 1.044 1 1 1327 . 9 1 1 A 108 108 LYS N N 135 126.060 124.108 1.952 1 1 1328 . 9 1 1 A 109 109 LEU H H 136 7.690 7.269 0.421 1 1 1329 . 9 1 1 A 109 109 LEU HA H 136 4.820 5.347 -0.527 1 1 1339 . 9 1 1 A 109 109 LEU C C 136 172.450 174.445 -1.995 1 1 1340 . 9 1 1 A 109 109 LEU CA C 136 53.250 53.746 -0.496 1 1 1341 . 9 1 1 A 109 109 LEU CB C 136 47.800 46.040 1.760 1 1 1345 . 9 1 1 A 109 109 LEU N N 136 116.670 120.317 -3.647 1 1 1346 . 9 1 1 A 110 110 LYS H H 137 9.170 8.884 0.286 1 1 1347 . 9 1 1 A 110 110 LYS HA H 137 5.050 4.943 0.107 1 1 1356 . 9 1 1 A 110 110 LYS C C 137 172.760 174.903 -2.143 1 1 1357 . 9 1 1 A 110 110 LYS CA C 137 54.090 54.652 -0.562 1 1 1358 . 9 1 1 A 110 110 LYS CB C 137 36.560 37.106 -0.546 1 1 1362 . 9 1 1 A 110 110 LYS N N 137 117.050 122.225 -5.175 1 1 1363 . 9 1 1 A 111 111 LEU H H 138 9.400 9.153 0.247 1 1 1364 . 9 1 1 A 111 111 LEU HA H 138 5.250 4.868 0.382 1 1 1374 . 9 1 1 A 111 111 LEU C C 138 176.470 176.678 -0.208 1 1 1375 . 9 1 1 A 111 111 LEU CA C 138 52.230 53.774 -1.544 1 1 1376 . 9 1 1 A 111 111 LEU CB C 138 42.810 41.838 0.972 1 1 1380 . 9 1 1 A 111 111 LEU N N 138 121.800 121.570 0.230 1 1 1381 . 9 1 1 A 112 112 ILE H H 139 9.080 8.949 0.131 1 1 1382 . 9 1 1 A 112 112 ILE HA H 139 5.420 4.375 1.045 1 1 1392 . 9 1 1 A 112 112 ILE C C 139 175.710 174.583 1.127 1 1 1393 . 9 1 1 A 112 112 ILE CA C 139 59.170 62.982 -3.812 1 1 1394 . 9 1 1 A 112 112 ILE CB C 139 41.010 37.156 3.854 1 1 1398 . 9 1 1 A 112 112 ILE N N 139 120.350 120.160 0.190 1 1 1399 . 9 1 1 A 113 113 ARG H H 140 8.550 8.677 -0.127 1 1 1400 . 9 1 1 A 113 113 ARG HA H 140 3.940 4.483 -0.543 1 1 1403 . 9 1 1 A 113 113 ARG C C 140 176.030 176.733 -0.703 1 1 1404 . 9 1 1 A 113 113 ARG CA C 140 56.180 54.987 1.193 1 1 1405 . 9 1 1 A 113 113 ARG CB C 140 30.770 28.607 2.163 1 1 1408 . 9 1 1 A 113 113 ARG N N 140 127.710 126.329 1.381 1 1 1409 . 9 1 1 A 114 114 GLY H H 141 8.530 8.470 0.060 1 1 1410 . 9 1 1 A 114 114 GLY HA2 H 141 4.000 3.749 0.251 1 1 1411 . 9 1 1 A 114 114 GLY HA3 H 141 3.820 3.757 0.063 1 1 1412 . 9 1 1 A 114 114 GLY C C 141 172.650 175.895 -3.245 1 1 1413 . 9 1 1 A 114 114 GLY CA C 141 45.100 47.074 -1.974 1 1 1414 . 9 1 1 A 114 114 GLY N N 141 111.410 111.781 -0.371 1 1 1 . 10 1 1 A 2 2 SER HA H 29 4.540 4.144 0.396 1 1 4 . 10 1 1 A 2 2 SER C C 29 174.370 173.586 0.784 1 1 5 . 10 1 1 A 2 2 SER CA C 29 58.380 61.104 -2.724 1 1 6 . 10 1 1 A 2 2 SER CB C 29 63.670 61.752 1.918 1 1 7 . 10 1 1 A 3 3 SER H H 30 8.530 8.314 0.216 1 1 8 . 10 1 1 A 3 3 SER HA H 30 4.480 4.448 0.032 1 1 11 . 10 1 1 A 3 3 SER C C 30 174.610 173.766 0.844 1 1 12 . 10 1 1 A 3 3 SER CA C 30 58.380 59.006 -0.626 1 1 13 . 10 1 1 A 3 3 SER CB C 30 63.690 63.265 0.425 1 1 14 . 10 1 1 A 3 3 SER N N 30 117.760 114.725 3.035 1 1 15 . 10 1 1 A 4 4 ASN H H 31 8.600 8.951 -0.351 1 1 16 . 10 1 1 A 4 4 ASN HA H 31 4.710 4.916 -0.206 1 1 21 . 10 1 1 A 4 4 ASN C C 31 175.840 174.733 1.107 1 1 22 . 10 1 1 A 4 4 ASN CA C 31 53.880 54.827 -0.947 1 1 23 . 10 1 1 A 4 4 ASN CB C 31 38.520 39.694 -1.174 1 1 24 . 10 1 1 A 4 4 ASN N N 31 120.910 123.639 -2.729 1 1 26 . 10 1 1 A 5 5 SER H H 32 8.360 8.234 0.126 1 1 27 . 10 1 1 A 5 5 SER HA H 32 4.420 4.527 -0.107 1 1 30 . 10 1 1 A 5 5 SER C C 32 174.700 174.610 0.090 1 1 31 . 10 1 1 A 5 5 SER CA C 32 59.310 59.618 -0.308 1 1 32 . 10 1 1 A 5 5 SER CB C 32 63.410 63.014 0.396 1 1 33 . 10 1 1 A 5 5 SER N N 32 115.920 114.361 1.559 1 1 34 . 10 1 1 A 6 6 GLU H H 33 8.370 8.960 -0.590 1 1 35 . 10 1 1 A 6 6 GLU HA H 33 4.530 3.925 0.605 1 1 40 . 10 1 1 A 6 6 GLU C C 33 176.390 175.605 0.785 1 1 41 . 10 1 1 A 6 6 GLU CA C 33 56.510 58.038 -1.528 1 1 42 . 10 1 1 A 6 6 GLU CB C 33 29.850 28.401 1.449 1 1 44 . 10 1 1 A 6 6 GLU N N 33 121.670 120.087 1.583 1 1 45 . 10 1 1 A 7 7 LYS H H 34 8.120 7.961 0.159 1 1 46 . 10 1 1 A 7 7 LYS HA H 34 4.370 4.014 0.356 1 1 55 . 10 1 1 A 7 7 LYS C C 34 176.060 175.563 0.497 1 1 56 . 10 1 1 A 7 7 LYS CA C 34 56.140 56.024 0.116 1 1 57 . 10 1 1 A 7 7 LYS CB C 34 33.200 32.323 0.877 1 1 61 . 10 1 1 A 7 7 LYS N N 34 121.020 120.506 0.514 1 1 62 . 10 1 1 A 8 8 GLU H H 35 8.550 8.473 0.077 1 1 63 . 10 1 1 A 8 8 GLU HA H 35 4.830 4.545 0.285 1 1 68 . 10 1 1 A 8 8 GLU C C 35 175.050 174.931 0.119 1 1 69 . 10 1 1 A 8 8 GLU CA C 35 56.390 55.987 0.403 1 1 70 . 10 1 1 A 8 8 GLU CB C 35 31.340 29.793 1.547 1 1 72 . 10 1 1 A 8 8 GLU N N 35 122.450 123.638 -1.188 1 1 73 . 10 1 1 A 9 9 TRP H H 36 9.680 9.008 0.672 1 1 74 . 10 1 1 A 9 9 TRP HA H 36 4.860 5.244 -0.384 1 1 80 . 10 1 1 A 9 9 TRP C C 36 175.390 175.627 -0.237 1 1 81 . 10 1 1 A 9 9 TRP CA C 36 55.890 55.979 -0.089 1 1 82 . 10 1 1 A 9 9 TRP CB C 36 30.810 30.999 -0.189 1 1 85 . 10 1 1 A 9 9 TRP N N 36 122.800 126.305 -3.505 1 1 87 . 10 1 1 A 10 10 HIS H H 37 9.690 9.164 0.526 1 1 88 . 10 1 1 A 10 10 HIS HA H 37 4.990 5.081 -0.091 1 1 93 . 10 1 1 A 10 10 HIS C C 37 174.840 174.576 0.264 1 1 94 . 10 1 1 A 10 10 HIS CA C 37 54.720 55.466 -0.746 1 1 95 . 10 1 1 A 10 10 HIS CB C 37 29.840 30.804 -0.964 1 1 98 . 10 1 1 A 10 10 HIS N N 37 120.400 122.477 -2.077 1 1 99 . 10 1 1 A 11 11 ILE H H 38 7.740 8.095 -0.355 1 1 100 . 10 1 1 A 11 11 ILE HA H 38 4.360 4.762 -0.402 1 1 110 . 10 1 1 A 11 11 ILE C C 38 175.030 175.565 -0.535 1 1 111 . 10 1 1 A 11 11 ILE CA C 38 62.110 62.371 -0.261 1 1 112 . 10 1 1 A 11 11 ILE CB C 38 37.590 37.697 -0.107 1 1 116 . 10 1 1 A 11 11 ILE N N 38 121.700 125.475 -3.775 1 1 117 . 10 1 1 A 12 12 VAL H H 39 9.370 9.432 -0.062 1 1 118 . 10 1 1 A 12 12 VAL HA H 39 4.690 4.566 0.124 1 1 126 . 10 1 1 A 12 12 VAL CA C 39 58.500 58.537 -0.037 1 1 127 . 10 1 1 A 12 12 VAL CB C 39 34.970 34.051 0.919 1 1 130 . 10 1 1 A 12 12 VAL N N 39 130.310 127.816 2.494 1 1 131 . 10 1 1 A 13 13 PRO HA H 40 4.470 4.989 -0.519 1 1 138 . 10 1 1 A 13 13 PRO C C 40 175.070 176.156 -1.086 1 1 139 . 10 1 1 A 13 13 PRO CA C 40 63.130 62.218 0.912 1 1 140 . 10 1 1 A 13 13 PRO CB C 40 33.580 32.142 1.438 1 1 143 . 10 1 1 A 14 14 VAL H H 41 7.970 8.948 -0.978 1 1 144 . 10 1 1 A 14 14 VAL HA H 41 4.170 4.043 0.127 1 1 152 . 10 1 1 A 14 14 VAL C C 41 175.360 176.020 -0.660 1 1 153 . 10 1 1 A 14 14 VAL CA C 41 63.600 63.429 0.171 1 1 154 . 10 1 1 A 14 14 VAL CB C 41 34.050 32.532 1.518 1 1 157 . 10 1 1 A 14 14 VAL N N 41 119.000 118.248 0.752 1 1 158 . 10 1 1 A 15 15 SER H H 42 8.040 7.713 0.327 1 1 159 . 10 1 1 A 15 15 SER HA H 42 4.530 4.381 0.149 1 1 162 . 10 1 1 A 15 15 SER C C 42 176.240 174.645 1.595 1 1 163 . 10 1 1 A 15 15 SER CA C 42 57.620 57.430 0.190 1 1 164 . 10 1 1 A 15 15 SER CB C 42 64.250 64.287 -0.037 1 1 165 . 10 1 1 A 15 15 SER N N 42 113.900 115.440 -1.540 1 1 166 . 10 1 1 A 16 16 LYS H H 43 8.690 8.943 -0.253 1 1 167 . 10 1 1 A 16 16 LYS HA H 43 2.830 3.851 -1.021 1 1 176 . 10 1 1 A 16 16 LYS C C 43 177.790 178.280 -0.490 1 1 177 . 10 1 1 A 16 16 LYS CA C 43 58.100 59.000 -0.900 1 1 178 . 10 1 1 A 16 16 LYS CB C 43 31.840 31.916 -0.076 1 1 182 . 10 1 1 A 16 16 LYS N N 43 124.940 127.115 -2.175 1 1 183 . 10 1 1 A 17 17 ASP H H 44 8.590 7.826 0.764 1 1 184 . 10 1 1 A 17 17 ASP HA H 44 4.100 4.368 -0.268 1 1 187 . 10 1 1 A 17 17 ASP C C 44 176.670 176.897 -0.227 1 1 188 . 10 1 1 A 17 17 ASP CA C 44 55.580 56.378 -0.798 1 1 189 . 10 1 1 A 17 17 ASP CB C 44 39.300 40.705 -1.405 1 1 190 . 10 1 1 A 17 17 ASP N N 44 118.140 119.288 -1.148 1 1 191 . 10 1 1 A 18 18 TYR H H 45 7.870 7.785 0.085 1 1 192 . 10 1 1 A 18 18 TYR HA H 45 4.550 4.669 -0.119 1 1 199 . 10 1 1 A 18 18 TYR C C 45 174.860 176.568 -1.708 1 1 200 . 10 1 1 A 18 18 TYR CA C 45 58.510 57.835 0.675 1 1 201 . 10 1 1 A 18 18 TYR CB C 45 39.470 38.897 0.573 1 1 206 . 10 1 1 A 18 18 TYR N N 45 115.260 116.823 -1.563 1 1 207 . 10 1 1 A 19 19 PHE H H 46 7.430 7.872 -0.442 1 1 208 . 10 1 1 A 19 19 PHE HA H 46 4.360 4.443 -0.083 1 1 215 . 10 1 1 A 19 19 PHE C C 46 176.950 176.453 0.497 1 1 216 . 10 1 1 A 19 19 PHE CA C 46 59.340 60.869 -1.529 1 1 217 . 10 1 1 A 19 19 PHE CB C 46 37.870 37.949 -0.079 1 1 222 . 10 1 1 A 19 19 PHE N N 46 120.020 121.169 -1.149 1 1 223 . 10 1 1 A 20 20 SER H H 47 8.620 7.754 0.866 1 1 224 . 10 1 1 A 20 20 SER HA H 47 4.430 4.543 -0.113 1 1 227 . 10 1 1 A 20 20 SER C C 47 173.980 175.000 -1.020 1 1 228 . 10 1 1 A 20 20 SER CA C 47 58.660 58.690 -0.030 1 1 229 . 10 1 1 A 20 20 SER CB C 47 62.850 63.915 -1.065 1 1 230 . 10 1 1 A 20 20 SER N N 47 111.500 112.051 -0.551 1 1 231 . 10 1 1 A 21 21 ILE H H 48 7.660 7.555 0.105 1 1 232 . 10 1 1 A 21 21 ILE HA H 48 4.110 4.185 -0.075 1 1 242 . 10 1 1 A 21 21 ILE CA C 48 59.780 60.730 -0.950 1 1 243 . 10 1 1 A 21 21 ILE CB C 48 38.330 38.039 0.291 1 1 247 . 10 1 1 A 21 21 ILE N N 48 119.380 126.320 -6.940 1 1 248 . 10 1 1 A 22 22 PRO HA H 49 4.500 4.541 -0.041 1 1 255 . 10 1 1 A 22 22 PRO C C 49 176.110 177.536 -1.426 1 1 256 . 10 1 1 A 22 22 PRO CA C 49 62.880 62.718 0.162 1 1 257 . 10 1 1 A 22 22 PRO CB C 49 32.570 33.233 -0.663 1 1 260 . 10 1 1 A 23 23 ASN H H 50 8.630 8.848 -0.218 1 1 261 . 10 1 1 A 23 23 ASN HA H 50 4.800 4.547 0.253 1 1 266 . 10 1 1 A 23 23 ASN C C 50 176.580 174.970 1.610 1 1 267 . 10 1 1 A 23 23 ASN CA C 50 53.610 56.057 -2.447 1 1 268 . 10 1 1 A 23 23 ASN CB C 50 38.490 38.875 -0.385 1 1 269 . 10 1 1 A 23 23 ASN N N 50 117.590 118.767 -1.177 1 1 271 . 10 1 1 A 24 24 ASP H H 51 8.580 7.664 0.916 1 1 272 . 10 1 1 A 24 24 ASP HA H 51 4.760 5.050 -0.290 1 1 275 . 10 1 1 A 24 24 ASP C C 51 175.090 174.349 0.741 1 1 276 . 10 1 1 A 24 24 ASP CA C 51 52.500 53.649 -1.149 1 1 277 . 10 1 1 A 24 24 ASP CB C 51 39.840 42.661 -2.821 1 1 278 . 10 1 1 A 24 24 ASP N N 51 120.490 114.500 5.990 1 1 279 . 10 1 1 A 25 25 LEU H H 52 8.400 9.021 -0.621 1 1 280 . 10 1 1 A 25 25 LEU HA H 52 4.390 4.951 -0.561 1 1 290 . 10 1 1 A 25 25 LEU C C 52 176.340 176.199 0.141 1 1 291 . 10 1 1 A 25 25 LEU CA C 52 55.460 53.675 1.785 1 1 292 . 10 1 1 A 25 25 LEU CB C 52 43.270 44.020 -0.750 1 1 296 . 10 1 1 A 25 25 LEU N N 52 119.530 126.338 -6.808 1 1 297 . 10 1 1 A 26 26 LEU H H 53 8.840 9.493 -0.653 1 1 298 . 10 1 1 A 26 26 LEU HA H 53 5.140 4.790 0.350 1 1 308 . 10 1 1 A 26 26 LEU C C 53 174.620 174.707 -0.087 1 1 309 . 10 1 1 A 26 26 LEU CA C 53 52.840 52.784 0.056 1 1 310 . 10 1 1 A 26 26 LEU CB C 53 44.070 43.115 0.955 1 1 314 . 10 1 1 A 26 26 LEU N N 53 126.610 123.125 3.485 1 1 315 . 10 1 1 A 27 27 TRP H H 54 9.230 9.242 -0.012 1 1 316 . 10 1 1 A 27 27 TRP HA H 54 5.570 5.172 0.398 1 1 325 . 10 1 1 A 27 27 TRP C C 54 175.740 175.017 0.723 1 1 326 . 10 1 1 A 27 27 TRP CA C 54 54.510 55.546 -1.036 1 1 327 . 10 1 1 A 27 27 TRP CB C 54 31.710 32.847 -1.137 1 1 333 . 10 1 1 A 27 27 TRP N N 54 122.650 128.300 -5.650 1 1 335 . 10 1 1 A 28 28 SER H H 55 9.240 9.199 0.041 1 1 336 . 10 1 1 A 28 28 SER HA H 55 5.490 5.631 -0.141 1 1 339 . 10 1 1 A 28 28 SER C C 55 173.440 173.731 -0.291 1 1 340 . 10 1 1 A 28 28 SER CA C 55 56.990 57.683 -0.693 1 1 341 . 10 1 1 A 28 28 SER CB C 55 66.150 65.583 0.567 1 1 342 . 10 1 1 A 28 28 SER N N 55 121.970 124.331 -2.361 1 1 343 . 10 1 1 A 29 29 PHE H H 56 9.590 9.667 -0.077 1 1 344 . 10 1 1 A 29 29 PHE HA H 56 5.150 4.946 0.204 1 1 352 . 10 1 1 A 29 29 PHE C C 56 175.810 175.469 0.341 1 1 353 . 10 1 1 A 29 29 PHE CA C 56 57.180 59.300 -2.120 1 1 354 . 10 1 1 A 29 29 PHE CB C 56 42.370 39.418 2.952 1 1 360 . 10 1 1 A 29 29 PHE N N 56 121.420 126.875 -5.455 1 1 361 . 10 1 1 A 30 30 ASN H H 57 9.400 9.193 0.207 1 1 362 . 10 1 1 A 30 30 ASN HA H 57 5.220 4.986 0.234 1 1 367 . 10 1 1 A 30 30 ASN C C 57 176.540 176.258 0.282 1 1 368 . 10 1 1 A 30 30 ASN CA C 57 52.320 51.903 0.417 1 1 369 . 10 1 1 A 30 30 ASN CB C 57 38.520 38.152 0.368 1 1 370 . 10 1 1 A 30 30 ASN N N 57 120.660 123.549 -2.889 1 1 372 . 10 1 1 A 31 31 THR H H 58 9.180 8.746 0.434 1 1 373 . 10 1 1 A 31 31 THR HA H 58 4.800 4.759 0.041 1 1 378 . 10 1 1 A 31 31 THR C C 58 176.950 175.126 1.824 1 1 379 . 10 1 1 A 31 31 THR CA C 58 63.430 62.420 1.010 1 1 380 . 10 1 1 A 31 31 THR CB C 58 68.110 69.482 -1.372 1 1 382 . 10 1 1 A 31 31 THR N N 58 114.630 117.803 -3.173 1 1 383 . 10 1 1 A 32 32 THR H H 59 8.450 7.971 0.479 1 1 384 . 10 1 1 A 32 32 THR HA H 59 4.130 4.256 -0.126 1 1 389 . 10 1 1 A 32 32 THR C C 59 175.130 176.123 -0.993 1 1 390 . 10 1 1 A 32 32 THR CA C 59 65.550 64.358 1.192 1 1 391 . 10 1 1 A 32 32 THR CB C 59 68.200 69.570 -1.370 1 1 393 . 10 1 1 A 32 32 THR N N 59 120.020 116.404 3.616 1 1 394 . 10 1 1 A 33 33 ASN H H 60 7.500 7.779 -0.279 1 1 395 . 10 1 1 A 33 33 ASN HA H 60 4.690 4.851 -0.161 1 1 400 . 10 1 1 A 33 33 ASN C C 60 174.230 174.814 -0.584 1 1 401 . 10 1 1 A 33 33 ASN CA C 60 51.650 51.906 -0.256 1 1 402 . 10 1 1 A 33 33 ASN CB C 60 37.870 38.551 -0.681 1 1 403 . 10 1 1 A 33 33 ASN N N 60 117.490 113.807 3.683 1 1 405 . 10 1 1 A 34 34 LYS H H 61 7.580 7.967 -0.387 1 1 406 . 10 1 1 A 34 34 LYS HA H 61 3.500 3.972 -0.472 1 1 415 . 10 1 1 A 34 34 LYS C C 61 172.880 174.823 -1.943 1 1 416 . 10 1 1 A 34 34 LYS CA C 61 57.160 57.097 0.063 1 1 417 . 10 1 1 A 34 34 LYS CB C 61 28.540 29.451 -0.911 1 1 421 . 10 1 1 A 34 34 LYS N N 61 118.030 115.508 2.522 1 1 422 . 10 1 1 A 35 35 SER H H 62 8.560 8.064 0.496 1 1 423 . 10 1 1 A 35 35 SER HA H 62 5.670 5.517 0.153 1 1 426 . 10 1 1 A 35 35 SER C C 62 173.510 173.102 0.408 1 1 427 . 10 1 1 A 35 35 SER CA C 62 56.110 57.002 -0.892 1 1 428 . 10 1 1 A 35 35 SER CB C 62 67.800 66.705 1.095 1 1 429 . 10 1 1 A 35 35 SER N N 62 109.720 110.512 -0.792 1 1 430 . 10 1 1 A 36 36 ILE H H 63 8.750 9.465 -0.715 1 1 431 . 10 1 1 A 36 36 ILE HA H 63 4.940 4.735 0.205 1 1 441 . 10 1 1 A 36 36 ILE C C 63 174.660 174.946 -0.286 1 1 442 . 10 1 1 A 36 36 ILE CA C 63 58.180 60.437 -2.257 1 1 443 . 10 1 1 A 36 36 ILE CB C 63 40.660 38.270 2.390 1 1 447 . 10 1 1 A 36 36 ILE N N 63 117.490 122.384 -4.894 1 1 448 . 10 1 1 A 37 37 ASN H H 64 8.400 8.940 -0.540 1 1 449 . 10 1 1 A 37 37 ASN HA H 64 5.650 5.738 -0.088 1 1 454 . 10 1 1 A 37 37 ASN C C 64 173.490 174.071 -0.581 1 1 455 . 10 1 1 A 37 37 ASN CA C 64 51.670 52.276 -0.606 1 1 456 . 10 1 1 A 37 37 ASN CB C 64 41.900 39.248 2.652 1 1 457 . 10 1 1 A 37 37 ASN N N 64 122.180 126.041 -3.861 1 1 459 . 10 1 1 A 38 38 VAL H H 65 8.900 9.127 -0.227 1 1 460 . 10 1 1 A 38 38 VAL HA H 65 5.540 4.625 0.915 1 1 468 . 10 1 1 A 38 38 VAL C C 65 174.590 175.114 -0.524 1 1 469 . 10 1 1 A 38 38 VAL CA C 65 60.060 61.092 -1.032 1 1 470 . 10 1 1 A 38 38 VAL CB C 65 34.870 32.765 2.105 1 1 473 . 10 1 1 A 38 38 VAL N N 65 122.060 125.265 -3.205 1 1 474 . 10 1 1 A 39 39 TYR H H 66 8.910 8.856 0.054 1 1 475 . 10 1 1 A 39 39 TYR HA H 66 5.490 5.879 -0.389 1 1 482 . 10 1 1 A 39 39 TYR C C 66 172.810 173.359 -0.549 1 1 483 . 10 1 1 A 39 39 TYR CA C 66 56.220 55.493 0.727 1 1 484 . 10 1 1 A 39 39 TYR CB C 66 40.620 42.075 -1.455 1 1 489 . 10 1 1 A 39 39 TYR N N 66 123.530 124.354 -0.824 1 1 490 . 10 1 1 A 40 40 SER H H 67 8.970 9.015 -0.045 1 1 491 . 10 1 1 A 40 40 SER HA H 67 4.780 4.877 -0.097 1 1 495 . 10 1 1 A 40 40 SER C C 67 174.360 174.998 -0.638 1 1 496 . 10 1 1 A 40 40 SER CA C 67 56.580 56.794 -0.214 1 1 497 . 10 1 1 A 40 40 SER CB C 67 66.290 65.920 0.370 1 1 498 . 10 1 1 A 40 40 SER N N 67 115.210 114.572 0.638 1 1 499 . 10 1 1 A 41 41 LYS H H 68 9.020 8.636 0.384 1 1 500 . 10 1 1 A 41 41 LYS HA H 68 4.210 4.022 0.188 1 1 509 . 10 1 1 A 41 41 LYS C C 68 177.730 176.695 1.035 1 1 510 . 10 1 1 A 41 41 LYS CA C 68 59.240 58.466 0.774 1 1 511 . 10 1 1 A 41 41 LYS CB C 68 31.660 31.781 -0.121 1 1 515 . 10 1 1 A 41 41 LYS N N 68 118.790 118.341 0.449 1 1 516 . 10 1 1 A 42 42 CYS H H 69 8.090 7.587 0.503 1 1 517 . 10 1 1 A 42 42 CYS HA H 69 4.750 4.705 0.045 1 1 520 . 10 1 1 A 42 42 CYS C C 69 173.260 174.009 -0.749 1 1 521 . 10 1 1 A 42 42 CYS CA C 69 52.780 56.987 -4.207 1 1 522 . 10 1 1 A 42 42 CYS CB C 69 39.470 44.893 -5.423 1 1 523 . 10 1 1 A 42 42 CYS N N 69 113.650 114.904 -1.254 1 1 524 . 10 1 1 A 43 43 ILE H H 70 7.550 7.712 -0.162 1 1 525 . 10 1 1 A 43 43 ILE HA H 70 5.210 4.940 0.270 1 1 535 . 10 1 1 A 43 43 ILE C C 70 171.870 175.038 -3.168 1 1 536 . 10 1 1 A 43 43 ILE CA C 70 59.800 62.080 -2.280 1 1 537 . 10 1 1 A 43 43 ILE CB C 70 42.550 39.018 3.532 1 1 541 . 10 1 1 A 43 43 ILE N N 70 118.580 122.201 -3.621 1 1 542 . 10 1 1 A 44 44 SER H H 71 8.190 8.853 -0.663 1 1 543 . 10 1 1 A 44 44 SER HA H 71 5.190 5.134 0.056 1 1 546 . 10 1 1 A 44 44 SER C C 71 173.790 173.722 0.068 1 1 547 . 10 1 1 A 44 44 SER CA C 71 56.980 57.239 -0.259 1 1 548 . 10 1 1 A 44 44 SER CB C 71 64.910 65.132 -0.222 1 1 549 . 10 1 1 A 44 44 SER N N 71 117.640 122.876 -5.236 1 1 550 . 10 1 1 A 45 45 GLY H H 72 9.720 9.593 0.127 1 1 551 . 10 1 1 A 45 45 GLY HA2 H 72 5.280 4.263 1.017 1 1 552 . 10 1 1 A 45 45 GLY HA3 H 72 3.460 4.263 -0.803 1 1 553 . 10 1 1 A 45 45 GLY C C 72 171.300 171.955 -0.655 1 1 554 . 10 1 1 A 45 45 GLY CA C 72 45.230 44.763 0.467 1 1 555 . 10 1 1 A 45 45 GLY N N 72 114.160 114.423 -0.263 1 1 556 . 10 1 1 A 46 46 LYS H H 73 8.340 8.417 -0.077 1 1 557 . 10 1 1 A 46 46 LYS HA H 73 5.530 5.500 0.030 1 1 566 . 10 1 1 A 46 46 LYS C C 73 174.510 175.225 -0.715 1 1 567 . 10 1 1 A 46 46 LYS CA C 73 54.930 55.415 -0.485 1 1 568 . 10 1 1 A 46 46 LYS CB C 73 36.420 34.232 2.188 1 1 572 . 10 1 1 A 46 46 LYS N N 73 123.520 124.425 -0.905 1 1 573 . 10 1 1 A 47 47 ALA H H 74 8.440 8.205 0.235 1 1 574 . 10 1 1 A 47 47 ALA HA H 74 4.400 5.208 -0.808 1 1 578 . 10 1 1 A 47 47 ALA C C 74 175.850 175.955 -0.105 1 1 579 . 10 1 1 A 47 47 ALA CA C 74 49.860 50.847 -0.987 1 1 580 . 10 1 1 A 47 47 ALA CB C 74 20.750 22.527 -1.777 1 1 581 . 10 1 1 A 47 47 ALA N N 74 125.710 127.071 -1.361 1 1 582 . 10 1 1 A 48 48 VAL H H 75 7.840 8.444 -0.604 1 1 583 . 10 1 1 A 48 48 VAL HA H 75 4.640 4.372 0.268 1 1 591 . 10 1 1 A 48 48 VAL C C 75 176.660 175.262 1.398 1 1 592 . 10 1 1 A 48 48 VAL CA C 75 61.160 61.273 -0.113 1 1 593 . 10 1 1 A 48 48 VAL CB C 75 32.180 32.296 -0.116 1 1 596 . 10 1 1 A 48 48 VAL N N 75 120.660 119.815 0.845 1 1 597 . 10 1 1 A 49 49 TYR H H 76 8.340 8.606 -0.266 1 1 598 . 10 1 1 A 49 49 TYR HA H 76 5.230 5.237 -0.007 1 1 605 . 10 1 1 A 49 49 TYR C C 76 173.480 174.320 -0.840 1 1 606 . 10 1 1 A 49 49 TYR CA C 76 54.940 55.548 -0.608 1 1 607 . 10 1 1 A 49 49 TYR CB C 76 42.030 40.681 1.349 1 1 612 . 10 1 1 A 49 49 TYR N N 76 126.510 125.530 0.980 1 1 613 . 10 1 1 A 50 50 SER H H 77 8.360 8.546 -0.186 1 1 614 . 10 1 1 A 50 50 SER HA H 77 4.560 5.163 -0.603 1 1 617 . 10 1 1 A 50 50 SER C C 77 171.180 173.129 -1.949 1 1 618 . 10 1 1 A 50 50 SER CA C 77 56.890 56.211 0.679 1 1 619 . 10 1 1 A 50 50 SER CB C 77 65.650 66.539 -0.889 1 1 620 . 10 1 1 A 50 50 SER N N 77 111.300 115.211 -3.911 1 1 621 . 10 1 1 A 51 51 PHE H H 78 8.660 8.836 -0.176 1 1 622 . 10 1 1 A 51 51 PHE HA H 78 5.860 5.753 0.107 1 1 630 . 10 1 1 A 51 51 PHE C C 78 176.800 174.361 2.439 1 1 631 . 10 1 1 A 51 51 PHE CA C 78 56.090 56.202 -0.112 1 1 632 . 10 1 1 A 51 51 PHE CB C 78 42.280 42.273 0.007 1 1 638 . 10 1 1 A 51 51 PHE N N 78 116.710 119.422 -2.712 1 1 639 . 10 1 1 A 52 52 ASN H H 79 9.190 9.099 0.091 1 1 640 . 10 1 1 A 52 52 ASN HA H 79 4.900 5.192 -0.292 1 1 645 . 10 1 1 A 52 52 ASN C C 79 174.870 174.475 0.395 1 1 646 . 10 1 1 A 52 52 ASN CA C 79 53.300 52.596 0.704 1 1 647 . 10 1 1 A 52 52 ASN CB C 79 41.350 40.850 0.500 1 1 648 . 10 1 1 A 52 52 ASN N N 79 119.620 120.782 -1.162 1 1 650 . 10 1 1 A 53 53 ALA H H 80 9.650 9.268 0.382 1 1 651 . 10 1 1 A 53 53 ALA HA H 80 4.110 4.090 0.020 1 1 655 . 10 1 1 A 53 53 ALA C C 80 176.800 177.219 -0.419 1 1 656 . 10 1 1 A 53 53 ALA CA C 80 52.860 53.403 -0.543 1 1 657 . 10 1 1 A 53 53 ALA CB C 80 16.760 17.938 -1.178 1 1 658 . 10 1 1 A 53 53 ALA N N 80 131.210 130.009 1.201 1 1 659 . 10 1 1 A 54 54 GLY H H 81 8.850 8.615 0.235 1 1 660 . 10 1 1 A 54 54 GLY HA2 H 81 4.320 3.904 0.416 1 1 661 . 10 1 1 A 54 54 GLY HA3 H 81 4.220 3.931 0.289 1 1 662 . 10 1 1 A 54 54 GLY C C 81 173.950 173.935 0.015 1 1 663 . 10 1 1 A 54 54 GLY CA C 81 45.320 45.470 -0.150 1 1 664 . 10 1 1 A 54 54 GLY N N 81 104.570 102.776 1.794 1 1 665 . 10 1 1 A 55 55 LYS H H 82 8.030 7.978 0.052 1 1 666 . 10 1 1 A 55 55 LYS HA H 82 4.910 4.490 0.420 1 1 675 . 10 1 1 A 55 55 LYS C C 82 174.120 175.691 -1.571 1 1 676 . 10 1 1 A 55 55 LYS CA C 82 54.350 56.004 -1.654 1 1 677 . 10 1 1 A 55 55 LYS CB C 82 34.010 32.696 1.314 1 1 681 . 10 1 1 A 55 55 LYS N N 82 120.230 120.363 -0.133 1 1 682 . 10 1 1 A 56 56 PHE H H 83 9.390 9.447 -0.057 1 1 683 . 10 1 1 A 56 56 PHE HA H 83 4.250 4.769 -0.519 1 1 691 . 10 1 1 A 56 56 PHE C C 83 173.870 174.198 -0.328 1 1 692 . 10 1 1 A 56 56 PHE CA C 83 56.630 56.619 0.011 1 1 693 . 10 1 1 A 56 56 PHE CB C 83 40.940 40.873 0.067 1 1 699 . 10 1 1 A 56 56 PHE N N 83 125.150 125.619 -0.469 1 1 700 . 10 1 1 A 57 57 MET H H 84 8.270 8.679 -0.409 1 1 701 . 10 1 1 A 57 57 MET HA H 84 5.140 6.010 -0.870 1 1 709 . 10 1 1 A 57 57 MET C C 84 174.090 175.004 -0.914 1 1 710 . 10 1 1 A 57 57 MET CA C 84 53.600 53.932 -0.332 1 1 711 . 10 1 1 A 57 57 MET CB C 84 36.190 37.364 -1.174 1 1 714 . 10 1 1 A 57 57 MET N N 84 124.270 125.050 -0.780 1 1 715 . 10 1 1 A 58 58 GLY H H 85 7.420 8.183 -0.763 1 1 716 . 10 1 1 A 58 58 GLY HA2 H 85 3.900 3.739 0.161 1 1 717 . 10 1 1 A 58 58 GLY HA3 H 85 2.790 3.878 -1.088 1 1 718 . 10 1 1 A 58 58 GLY C C 85 169.900 172.019 -2.119 1 1 719 . 10 1 1 A 58 58 GLY CA C 85 45.620 45.388 0.232 1 1 720 . 10 1 1 A 58 58 GLY N N 85 103.440 107.638 -4.198 1 1 721 . 10 1 1 A 59 59 ASN H H 86 8.410 8.887 -0.477 1 1 722 . 10 1 1 A 59 59 ASN HA H 86 4.890 4.780 0.110 1 1 727 . 10 1 1 A 59 59 ASN C C 86 174.650 174.599 0.051 1 1 728 . 10 1 1 A 59 59 ASN CA C 86 51.110 53.048 -1.938 1 1 729 . 10 1 1 A 59 59 ASN CB C 86 38.140 39.171 -1.031 1 1 730 . 10 1 1 A 59 59 ASN N N 86 122.270 122.714 -0.444 1 1 732 . 10 1 1 A 60 60 PHE H H 87 8.870 8.921 -0.051 1 1 733 . 10 1 1 A 60 60 PHE HA H 87 4.120 4.894 -0.774 1 1 741 . 10 1 1 A 60 60 PHE C C 87 175.620 175.120 0.500 1 1 742 . 10 1 1 A 60 60 PHE CA C 87 58.850 57.309 1.541 1 1 743 . 10 1 1 A 60 60 PHE CB C 87 39.910 40.592 -0.682 1 1 749 . 10 1 1 A 60 60 PHE N N 87 123.420 126.100 -2.680 1 1 750 . 10 1 1 A 61 61 ASN H H 88 8.610 9.360 -0.750 1 1 751 . 10 1 1 A 61 61 ASN HA H 88 4.900 5.238 -0.338 1 1 756 . 10 1 1 A 61 61 ASN C C 88 175.090 173.957 1.133 1 1 757 . 10 1 1 A 61 61 ASN CA C 88 52.690 52.100 0.590 1 1 758 . 10 1 1 A 61 61 ASN CB C 88 39.830 39.761 0.069 1 1 759 . 10 1 1 A 61 61 ASN N N 88 121.520 120.050 1.470 1 1 761 . 10 1 1 A 62 62 VAL H H 89 8.890 8.559 0.331 1 1 762 . 10 1 1 A 62 62 VAL HA H 89 4.820 4.967 -0.147 1 1 770 . 10 1 1 A 62 62 VAL C C 89 174.650 175.063 -0.413 1 1 771 . 10 1 1 A 62 62 VAL CA C 89 60.870 61.734 -0.864 1 1 772 . 10 1 1 A 62 62 VAL CB C 89 34.690 33.440 1.250 1 1 775 . 10 1 1 A 62 62 VAL N N 89 123.750 124.217 -0.467 1 1 776 . 10 1 1 A 63 63 LYS H H 90 8.750 9.252 -0.502 1 1 777 . 10 1 1 A 63 63 LYS HA H 90 4.670 4.958 -0.288 1 1 786 . 10 1 1 A 63 63 LYS C C 90 174.990 175.600 -0.610 1 1 787 . 10 1 1 A 63 63 LYS CA C 90 55.010 55.487 -0.477 1 1 788 . 10 1 1 A 63 63 LYS CB C 90 34.030 33.830 0.200 1 1 792 . 10 1 1 A 63 63 LYS N N 90 126.210 127.296 -1.086 1 1 793 . 10 1 1 A 64 64 GLU H H 91 9.170 8.929 0.241 1 1 794 . 10 1 1 A 64 64 GLU HA H 91 5.020 5.198 -0.178 1 1 799 . 10 1 1 A 64 64 GLU C C 91 175.680 174.916 0.764 1 1 800 . 10 1 1 A 64 64 GLU CA C 91 54.400 55.220 -0.820 1 1 801 . 10 1 1 A 64 64 GLU CB C 91 32.690 33.732 -1.042 1 1 803 . 10 1 1 A 64 64 GLU N N 91 128.500 124.302 4.198 1 1 804 . 10 1 1 A 65 65 VAL H H 92 8.330 9.252 -0.922 1 1 805 . 10 1 1 A 65 65 VAL HA H 92 3.880 5.052 -1.172 1 1 813 . 10 1 1 A 65 65 VAL C C 92 175.940 174.703 1.237 1 1 814 . 10 1 1 A 65 65 VAL CA C 92 62.290 59.230 3.060 1 1 815 . 10 1 1 A 65 65 VAL CB C 92 32.080 35.232 -3.152 1 1 818 . 10 1 1 A 65 65 VAL N N 92 126.870 119.389 7.481 1 1 819 . 10 1 1 A 66 66 ASP H H 93 8.810 8.805 0.005 1 1 820 . 10 1 1 A 66 66 ASP HA H 93 4.440 5.130 -0.690 1 1 823 . 10 1 1 A 66 66 ASP C C 93 177.330 176.976 0.354 1 1 824 . 10 1 1 A 66 66 ASP CA C 93 55.950 53.307 2.643 1 1 825 . 10 1 1 A 66 66 ASP CB C 93 40.760 43.176 -2.416 1 1 826 . 10 1 1 A 66 66 ASP N N 93 130.720 121.857 8.863 1 1 827 . 10 1 1 A 67 67 GLY H H 94 8.910 8.451 0.459 1 1 828 . 10 1 1 A 67 67 GLY HA2 H 94 4.020 3.919 0.101 1 1 829 . 10 1 1 A 67 67 GLY HA3 H 94 3.820 3.931 -0.111 1 1 830 . 10 1 1 A 67 67 GLY C C 94 173.530 174.798 -1.268 1 1 831 . 10 1 1 A 67 67 GLY CA C 94 45.830 45.276 0.554 1 1 832 . 10 1 1 A 67 67 GLY N N 94 112.760 109.732 3.028 1 1 833 . 10 1 1 A 68 68 CYS H H 95 7.540 7.948 -0.408 1 1 834 . 10 1 1 A 68 68 CYS HA H 95 4.260 4.091 0.169 1 1 837 . 10 1 1 A 68 68 CYS C C 95 175.640 175.060 0.580 1 1 838 . 10 1 1 A 68 68 CYS CA C 95 58.280 59.137 -0.857 1 1 839 . 10 1 1 A 68 68 CYS CB C 95 38.240 41.784 -3.544 1 1 840 . 10 1 1 A 68 68 CYS N N 95 119.700 119.587 0.113 1 1 841 . 10 1 1 A 69 69 PHE H H 96 8.850 7.644 1.206 1 1 842 . 10 1 1 A 69 69 PHE HA H 96 5.010 4.678 0.332 1 1 850 . 10 1 1 A 69 69 PHE C C 96 177.330 175.299 2.031 1 1 851 . 10 1 1 A 69 69 PHE CA C 96 56.460 57.539 -1.079 1 1 852 . 10 1 1 A 69 69 PHE CB C 96 40.020 38.992 1.028 1 1 858 . 10 1 1 A 69 69 PHE N N 96 117.790 117.717 0.073 1 1 859 . 10 1 1 A 70 70 MET H H 97 8.710 8.054 0.656 1 1 860 . 10 1 1 A 70 70 MET HA H 97 4.700 4.149 0.551 1 1 868 . 10 1 1 A 70 70 MET C C 97 177.650 175.994 1.656 1 1 869 . 10 1 1 A 70 70 MET CA C 97 54.570 57.611 -3.041 1 1 870 . 10 1 1 A 70 70 MET CB C 97 33.990 31.387 2.603 1 1 873 . 10 1 1 A 70 70 MET N N 97 119.890 116.082 3.808 1 1 874 . 10 1 1 A 71 71 ASP H H 98 8.980 8.647 0.333 1 1 875 . 10 1 1 A 71 71 ASP HA H 98 4.280 4.845 -0.565 1 1 878 . 10 1 1 A 71 71 ASP C C 98 177.920 177.011 0.909 1 1 879 . 10 1 1 A 71 71 ASP CA C 98 58.380 55.343 3.037 1 1 880 . 10 1 1 A 71 71 ASP CB C 98 40.100 43.368 -3.268 1 1 881 . 10 1 1 A 71 71 ASP N N 98 123.440 124.518 -1.078 1 1 882 . 10 1 1 A 72 72 ALA H H 99 8.950 8.019 0.931 1 1 883 . 10 1 1 A 72 72 ALA HA H 99 4.030 4.107 -0.077 1 1 887 . 10 1 1 A 72 72 ALA C C 99 180.740 179.500 1.240 1 1 888 . 10 1 1 A 72 72 ALA CA C 99 55.020 54.359 0.661 1 1 889 . 10 1 1 A 72 72 ALA CB C 99 18.280 18.477 -0.197 1 1 890 . 10 1 1 A 72 72 ALA N N 99 119.200 122.331 -3.131 1 1 891 . 10 1 1 A 73 73 GLN H H 100 7.120 7.810 -0.690 1 1 892 . 10 1 1 A 73 73 GLN HA H 100 4.020 4.732 -0.712 1 1 899 . 10 1 1 A 73 73 GLN C C 100 176.880 178.244 -1.364 1 1 900 . 10 1 1 A 73 73 GLN CA C 100 57.720 58.734 -1.014 1 1 901 . 10 1 1 A 73 73 GLN CB C 100 28.940 28.388 0.552 1 1 903 . 10 1 1 A 73 73 GLN N N 100 115.380 117.892 -2.512 1 1 905 . 10 1 1 A 74 74 LYS H H 101 7.760 7.802 -0.042 1 1 906 . 10 1 1 A 74 74 LYS HA H 101 3.510 3.960 -0.450 1 1 915 . 10 1 1 A 74 74 LYS C C 101 177.610 178.497 -0.887 1 1 916 . 10 1 1 A 74 74 LYS CA C 101 58.500 59.157 -0.657 1 1 917 . 10 1 1 A 74 74 LYS CB C 101 31.790 32.237 -0.447 1 1 921 . 10 1 1 A 74 74 LYS N N 101 119.560 121.288 -1.728 1 1 922 . 10 1 1 A 75 75 ILE H H 102 7.760 8.102 -0.342 1 1 923 . 10 1 1 A 75 75 ILE HA H 102 3.750 3.588 0.162 1 1 933 . 10 1 1 A 75 75 ILE C C 102 178.530 177.722 0.808 1 1 934 . 10 1 1 A 75 75 ILE CA C 102 64.200 65.397 -1.197 1 1 935 . 10 1 1 A 75 75 ILE CB C 102 38.170 37.642 0.528 1 1 939 . 10 1 1 A 75 75 ILE N N 102 117.490 119.734 -2.244 1 1 940 . 10 1 1 A 76 76 ALA H H 103 7.090 8.546 -1.456 1 1 941 . 10 1 1 A 76 76 ALA HA H 103 3.990 3.728 0.262 1 1 945 . 10 1 1 A 76 76 ALA C C 103 178.650 180.265 -1.615 1 1 946 . 10 1 1 A 76 76 ALA CA C 103 55.020 55.171 -0.151 1 1 947 . 10 1 1 A 76 76 ALA CB C 103 18.570 18.301 0.269 1 1 948 . 10 1 1 A 76 76 ALA N N 103 121.190 121.837 -0.647 1 1 949 . 10 1 1 A 77 77 ILE H H 104 8.150 7.432 0.718 1 1 950 . 10 1 1 A 77 77 ILE HA H 104 3.420 3.495 -0.075 1 1 960 . 10 1 1 A 77 77 ILE C C 104 176.670 177.209 -0.539 1 1 961 . 10 1 1 A 77 77 ILE CA C 104 63.130 64.340 -1.210 1 1 962 . 10 1 1 A 77 77 ILE CB C 104 36.680 36.563 0.117 1 1 966 . 10 1 1 A 77 77 ILE N N 104 119.240 118.379 0.861 1 1 967 . 10 1 1 A 78 78 ASP H H 105 8.290 8.563 -0.273 1 1 968 . 10 1 1 A 78 78 ASP HA H 105 4.440 4.158 0.282 1 1 971 . 10 1 1 A 78 78 ASP C C 105 180.350 178.405 1.945 1 1 972 . 10 1 1 A 78 78 ASP CA C 105 57.440 57.837 -0.397 1 1 973 . 10 1 1 A 78 78 ASP CB C 105 39.430 42.101 -2.671 1 1 974 . 10 1 1 A 78 78 ASP N N 105 121.080 121.691 -0.611 1 1 975 . 10 1 1 A 79 79 LYS H H 106 7.960 7.959 0.001 1 1 976 . 10 1 1 A 79 79 LYS HA H 106 4.010 3.946 0.064 1 1 985 . 10 1 1 A 79 79 LYS C C 106 178.580 179.089 -0.509 1 1 986 . 10 1 1 A 79 79 LYS CA C 106 59.780 59.187 0.593 1 1 987 . 10 1 1 A 79 79 LYS CB C 106 31.800 32.196 -0.396 1 1 991 . 10 1 1 A 79 79 LYS N N 106 121.340 118.727 2.613 1 1 992 . 10 1 1 A 80 80 LEU H H 107 8.230 7.952 0.278 1 1 993 . 10 1 1 A 80 80 LEU HA H 107 3.990 4.172 -0.182 1 1 1003 . 10 1 1 A 80 80 LEU C C 107 178.230 178.342 -0.112 1 1 1004 . 10 1 1 A 80 80 LEU CA C 107 58.570 58.170 0.400 1 1 1005 . 10 1 1 A 80 80 LEU CB C 107 41.110 41.602 -0.492 1 1 1009 . 10 1 1 A 80 80 LEU N N 107 123.530 121.346 2.184 1 1 1010 . 10 1 1 A 81 81 PHE H H 108 8.050 8.502 -0.452 1 1 1011 . 10 1 1 A 81 81 PHE HA H 108 4.350 3.858 0.492 1 1 1019 . 10 1 1 A 81 81 PHE C C 108 179.570 177.846 1.724 1 1 1020 . 10 1 1 A 81 81 PHE CA C 108 61.070 60.719 0.351 1 1 1021 . 10 1 1 A 81 81 PHE CB C 108 37.010 37.916 -0.906 1 1 1027 . 10 1 1 A 81 81 PHE N N 108 116.720 117.757 -1.037 1 1 1028 . 10 1 1 A 82 82 SER H H 109 8.410 8.143 0.267 1 1 1029 . 10 1 1 A 82 82 SER HA H 109 4.360 4.220 0.140 1 1 1032 . 10 1 1 A 82 82 SER C C 109 176.200 177.435 -1.235 1 1 1033 . 10 1 1 A 82 82 SER CA C 109 61.830 61.336 0.494 1 1 1034 . 10 1 1 A 82 82 SER CB C 109 62.570 63.119 -0.549 1 1 1035 . 10 1 1 A 82 82 SER N N 109 118.120 115.685 2.435 1 1 1036 . 10 1 1 A 83 83 MET H H 110 8.420 8.240 0.180 1 1 1037 . 10 1 1 A 83 83 MET HA H 110 4.210 4.145 0.065 1 1 1043 . 10 1 1 A 83 83 MET C C 110 178.260 178.740 -0.480 1 1 1044 . 10 1 1 A 83 83 MET CA C 110 59.170 58.996 0.174 1 1 1045 . 10 1 1 A 83 83 MET CB C 110 31.240 32.728 -1.488 1 1 1047 . 10 1 1 A 83 83 MET N N 110 123.040 119.694 3.346 1 1 1048 . 10 1 1 A 84 84 LEU H H 111 8.080 8.130 -0.050 1 1 1049 . 10 1 1 A 84 84 LEU HA H 111 4.140 3.973 0.167 1 1 1059 . 10 1 1 A 84 84 LEU C C 111 178.030 178.733 -0.703 1 1 1060 . 10 1 1 A 84 84 LEU CA C 111 57.390 58.287 -0.897 1 1 1061 . 10 1 1 A 84 84 LEU CB C 111 41.430 41.680 -0.250 1 1 1065 . 10 1 1 A 84 84 LEU N N 111 117.910 119.800 -1.890 1 1 1066 . 10 1 1 A 85 85 LYS H H 112 7.640 7.647 -0.007 1 1 1067 . 10 1 1 A 85 85 LYS HA H 112 4.110 4.165 -0.055 1 1 1076 . 10 1 1 A 85 85 LYS C C 112 177.650 177.696 -0.046 1 1 1077 . 10 1 1 A 85 85 LYS CA C 112 58.750 59.035 -0.285 1 1 1078 . 10 1 1 A 85 85 LYS CB C 112 32.240 32.372 -0.132 1 1 1082 . 10 1 1 A 85 85 LYS N N 112 119.340 117.142 2.198 1 1 1083 . 10 1 1 A 86 86 ASP H H 113 7.350 7.700 -0.350 1 1 1084 . 10 1 1 A 86 86 ASP HA H 113 4.570 4.697 -0.127 1 1 1087 . 10 1 1 A 86 86 ASP C C 113 176.950 176.450 0.500 1 1 1088 . 10 1 1 A 86 86 ASP CA C 113 55.770 54.176 1.594 1 1 1089 . 10 1 1 A 86 86 ASP CB C 113 42.420 41.429 0.991 1 1 1090 . 10 1 1 A 86 86 ASP N N 113 117.210 117.522 -0.312 1 1 1091 . 10 1 1 A 87 87 GLY H H 114 7.760 7.892 -0.132 1 1 1092 . 10 1 1 A 87 87 GLY HA2 H 114 4.380 4.046 0.334 1 1 1093 . 10 1 1 A 87 87 GLY HA3 H 114 4.380 4.071 0.309 1 1 1094 . 10 1 1 A 87 87 GLY C C 114 173.000 174.112 -1.112 1 1 1095 . 10 1 1 A 87 87 GLY CA C 114 44.490 45.350 -0.860 1 1 1096 . 10 1 1 A 87 87 GLY N N 114 107.740 106.819 0.921 1 1 1097 . 10 1 1 A 88 88 VAL H H 115 9.350 8.779 0.571 1 1 1098 . 10 1 1 A 88 88 VAL HA H 115 4.960 4.663 0.297 1 1 1106 . 10 1 1 A 88 88 VAL C C 115 173.100 174.500 -1.400 1 1 1107 . 10 1 1 A 88 88 VAL CA C 115 58.650 62.524 -3.874 1 1 1108 . 10 1 1 A 88 88 VAL CB C 115 35.910 33.281 2.629 1 1 1111 . 10 1 1 A 88 88 VAL N N 115 118.050 124.076 -6.026 1 1 1112 . 10 1 1 A 89 89 VAL H H 116 9.000 9.523 -0.523 1 1 1113 . 10 1 1 A 89 89 VAL HA H 116 4.550 4.843 -0.293 1 1 1121 . 10 1 1 A 89 89 VAL C C 116 174.640 174.899 -0.259 1 1 1122 . 10 1 1 A 89 89 VAL CA C 116 61.360 60.052 1.308 1 1 1123 . 10 1 1 A 89 89 VAL CB C 116 33.760 33.983 -0.223 1 1 1126 . 10 1 1 A 89 89 VAL N N 116 121.030 128.101 -7.071 1 1 1127 . 10 1 1 A 90 90 LEU H H 117 8.950 8.671 0.279 1 1 1128 . 10 1 1 A 90 90 LEU HA H 117 5.160 5.332 -0.172 1 1 1138 . 10 1 1 A 90 90 LEU C C 117 176.150 176.722 -0.572 1 1 1139 . 10 1 1 A 90 90 LEU CA C 117 52.230 54.770 -2.540 1 1 1140 . 10 1 1 A 90 90 LEU CB C 117 44.280 41.489 2.791 1 1 1144 . 10 1 1 A 90 90 LEU N N 117 125.420 129.582 -4.162 1 1 1145 . 10 1 1 A 91 91 LYS H H 118 8.280 8.561 -0.281 1 1 1146 . 10 1 1 A 91 91 LYS HA H 118 4.900 4.557 0.343 1 1 1155 . 10 1 1 A 91 91 LYS C C 118 175.300 175.041 0.259 1 1 1156 . 10 1 1 A 91 91 LYS CA C 118 53.810 55.395 -1.585 1 1 1157 . 10 1 1 A 91 91 LYS CB C 118 36.840 36.828 0.012 1 1 1161 . 10 1 1 A 91 91 LYS N N 118 119.720 121.905 -2.185 1 1 1162 . 10 1 1 A 92 92 GLY H H 119 9.030 8.192 0.838 1 1 1163 . 10 1 1 A 92 92 GLY HA2 H 119 3.750 4.209 -0.459 1 1 1164 . 10 1 1 A 92 92 GLY HA3 H 119 3.750 4.214 -0.464 1 1 1165 . 10 1 1 A 92 92 GLY CA C 119 43.980 45.262 -1.282 1 1 1166 . 10 1 1 A 92 92 GLY N N 119 109.730 108.638 1.092 1 1 1167 . 10 1 1 A 94 94 LYS HA H 121 4.760 4.513 0.247 1 1 1168 . 10 1 1 A 95 95 ILE H H 122 7.700 8.566 -0.866 1 1 1169 . 10 1 1 A 95 95 ILE HA H 122 4.160 4.902 -0.742 1 1 1179 . 10 1 1 A 95 95 ILE CA C 122 61.270 58.788 2.482 1 1 1180 . 10 1 1 A 95 95 ILE CB C 122 37.590 41.245 -3.655 1 1 1184 . 10 1 1 A 95 95 ILE N N 122 117.400 123.763 -6.363 1 1 1185 . 10 1 1 A 98 98 THR HA H 125 5.810 4.894 0.916 1 1 1190 . 10 1 1 A 98 98 THR CA C 125 61.740 61.001 0.739 1 1 1191 . 10 1 1 A 98 98 THR CB C 125 73.450 72.774 0.676 1 1 1193 . 10 1 1 A 99 99 ILE HA H 126 4.630 4.624 0.006 1 1 1203 . 10 1 1 A 99 99 ILE C C 126 174.430 174.988 -0.558 1 1 1204 . 10 1 1 A 99 99 ILE CA C 126 59.980 60.261 -0.281 1 1 1205 . 10 1 1 A 99 99 ILE CB C 126 40.970 39.130 1.840 1 1 1209 . 10 1 1 A 100 100 LEU H H 127 9.530 8.744 0.786 1 1 1210 . 10 1 1 A 100 100 LEU HA H 127 4.420 5.086 -0.666 1 1 1220 . 10 1 1 A 100 100 LEU C C 127 174.930 175.448 -0.518 1 1 1221 . 10 1 1 A 100 100 LEU CA C 127 54.030 53.548 0.482 1 1 1222 . 10 1 1 A 100 100 LEU CB C 127 42.520 45.650 -3.130 1 1 1226 . 10 1 1 A 100 100 LEU N N 127 127.300 125.827 1.473 1 1 1227 . 10 1 1 A 101 101 ILE H H 128 8.260 9.250 -0.990 1 1 1228 . 10 1 1 A 101 101 ILE HA H 128 4.320 4.711 -0.391 1 1 1238 . 10 1 1 A 101 101 ILE C C 128 173.880 174.533 -0.653 1 1 1239 . 10 1 1 A 101 101 ILE CA C 128 60.900 60.332 0.568 1 1 1240 . 10 1 1 A 101 101 ILE CB C 128 37.410 38.548 -1.138 1 1 1244 . 10 1 1 A 101 101 ILE N N 128 119.990 123.424 -3.434 1 1 1245 . 10 1 1 A 102 102 GLU H H 129 9.580 8.748 0.832 1 1 1246 . 10 1 1 A 102 102 GLU HA H 129 5.120 5.390 -0.270 1 1 1251 . 10 1 1 A 102 102 GLU C C 129 174.240 174.730 -0.490 1 1 1252 . 10 1 1 A 102 102 GLU CA C 129 54.050 54.760 -0.710 1 1 1253 . 10 1 1 A 102 102 GLU CB C 129 33.630 33.663 -0.033 1 1 1255 . 10 1 1 A 102 102 GLU N N 129 129.780 129.875 -0.095 1 1 1256 . 10 1 1 A 103 103 LYS H H 130 8.680 8.566 0.114 1 1 1257 . 10 1 1 A 103 103 LYS HA H 130 4.720 4.775 -0.055 1 1 1264 . 10 1 1 A 103 103 LYS C C 130 175.280 174.782 0.498 1 1 1265 . 10 1 1 A 103 103 LYS CA C 130 55.190 55.340 -0.150 1 1 1266 . 10 1 1 A 103 103 LYS CB C 130 36.750 35.512 1.238 1 1 1270 . 10 1 1 A 103 103 LYS N N 130 123.420 122.813 0.607 1 1 1271 . 10 1 1 A 104 104 ASP H H 131 9.530 9.278 0.252 1 1 1272 . 10 1 1 A 104 104 ASP HA H 131 4.290 4.366 -0.076 1 1 1275 . 10 1 1 A 104 104 ASP C C 131 176.090 176.300 -0.210 1 1 1276 . 10 1 1 A 104 104 ASP CA C 131 55.370 55.304 0.066 1 1 1277 . 10 1 1 A 104 104 ASP CB C 131 39.260 39.212 0.048 1 1 1278 . 10 1 1 A 104 104 ASP N N 131 127.440 120.646 6.794 1 1 1279 . 10 1 1 A 105 105 GLY H H 132 8.970 8.535 0.435 1 1 1280 . 10 1 1 A 105 105 GLY HA2 H 132 4.090 3.841 0.249 1 1 1281 . 10 1 1 A 105 105 GLY HA3 H 132 3.550 3.843 -0.293 1 1 1282 . 10 1 1 A 105 105 GLY C C 132 173.130 173.640 -0.510 1 1 1283 . 10 1 1 A 105 105 GLY CA C 132 45.230 45.361 -0.131 1 1 1284 . 10 1 1 A 105 105 GLY N N 132 103.820 104.904 -1.084 1 1 1285 . 10 1 1 A 106 106 GLU H H 133 7.720 7.768 -0.048 1 1 1286 . 10 1 1 A 106 106 GLU HA H 133 4.720 4.933 -0.213 1 1 1291 . 10 1 1 A 106 106 GLU C C 133 174.940 175.093 -0.153 1 1 1292 . 10 1 1 A 106 106 GLU CA C 133 53.770 54.683 -0.913 1 1 1293 . 10 1 1 A 106 106 GLU CB C 133 32.820 32.636 0.184 1 1 1295 . 10 1 1 A 106 106 GLU N N 133 120.200 116.786 3.414 1 1 1296 . 10 1 1 A 107 107 VAL H H 134 8.900 8.667 0.233 1 1 1297 . 10 1 1 A 107 107 VAL HA H 134 3.760 4.397 -0.637 1 1 1305 . 10 1 1 A 107 107 VAL C C 134 175.340 175.953 -0.613 1 1 1306 . 10 1 1 A 107 107 VAL CA C 134 64.230 60.262 3.968 1 1 1307 . 10 1 1 A 107 107 VAL CB C 134 31.160 33.764 -2.604 1 1 1310 . 10 1 1 A 107 107 VAL N N 134 125.990 123.467 2.523 1 1 1311 . 10 1 1 A 108 108 LYS H H 135 9.250 8.411 0.839 1 1 1312 . 10 1 1 A 108 108 LYS HA H 135 4.810 4.467 0.343 1 1 1321 . 10 1 1 A 108 108 LYS C C 135 174.390 175.615 -1.225 1 1 1322 . 10 1 1 A 108 108 LYS CA C 135 54.740 55.660 -0.920 1 1 1323 . 10 1 1 A 108 108 LYS CB C 135 34.690 33.530 1.160 1 1 1327 . 10 1 1 A 108 108 LYS N N 135 126.060 124.141 1.919 1 1 1328 . 10 1 1 A 109 109 LEU H H 136 7.690 7.127 0.563 1 1 1329 . 10 1 1 A 109 109 LEU HA H 136 4.820 5.394 -0.574 1 1 1339 . 10 1 1 A 109 109 LEU C C 136 172.450 174.363 -1.913 1 1 1340 . 10 1 1 A 109 109 LEU CA C 136 53.250 53.683 -0.433 1 1 1341 . 10 1 1 A 109 109 LEU CB C 136 47.800 46.186 1.614 1 1 1345 . 10 1 1 A 109 109 LEU N N 136 116.670 120.583 -3.913 1 1 1346 . 10 1 1 A 110 110 LYS H H 137 9.170 8.778 0.392 1 1 1347 . 10 1 1 A 110 110 LYS HA H 137 5.050 4.929 0.121 1 1 1356 . 10 1 1 A 110 110 LYS C C 137 172.760 175.066 -2.306 1 1 1357 . 10 1 1 A 110 110 LYS CA C 137 54.090 54.729 -0.639 1 1 1358 . 10 1 1 A 110 110 LYS CB C 137 36.560 37.093 -0.533 1 1 1362 . 10 1 1 A 110 110 LYS N N 137 117.050 122.528 -5.478 1 1 1363 . 10 1 1 A 111 111 LEU H H 138 9.400 9.068 0.332 1 1 1364 . 10 1 1 A 111 111 LEU HA H 138 5.250 4.877 0.373 1 1 1374 . 10 1 1 A 111 111 LEU C C 138 176.470 176.821 -0.351 1 1 1375 . 10 1 1 A 111 111 LEU CA C 138 52.230 53.852 -1.622 1 1 1376 . 10 1 1 A 111 111 LEU CB C 138 42.810 40.987 1.823 1 1 1380 . 10 1 1 A 111 111 LEU N N 138 121.800 122.180 -0.380 1 1 1381 . 10 1 1 A 112 112 ILE H H 139 9.080 9.379 -0.299 1 1 1382 . 10 1 1 A 112 112 ILE HA H 139 5.420 4.337 1.083 1 1 1392 . 10 1 1 A 112 112 ILE C C 139 175.710 174.531 1.179 1 1 1393 . 10 1 1 A 112 112 ILE CA C 139 59.170 63.115 -3.945 1 1 1394 . 10 1 1 A 112 112 ILE CB C 139 41.010 37.194 3.816 1 1 1398 . 10 1 1 A 112 112 ILE N N 139 120.350 120.423 -0.073 1 1 1399 . 10 1 1 A 113 113 ARG H H 140 8.550 8.662 -0.112 1 1 1400 . 10 1 1 A 113 113 ARG HA H 140 3.940 4.406 -0.466 1 1 1403 . 10 1 1 A 113 113 ARG C C 140 176.030 176.537 -0.507 1 1 1404 . 10 1 1 A 113 113 ARG CA C 140 56.180 54.871 1.309 1 1 1405 . 10 1 1 A 113 113 ARG CB C 140 30.770 29.012 1.758 1 1 1408 . 10 1 1 A 113 113 ARG N N 140 127.710 126.223 1.487 1 1 1409 . 10 1 1 A 114 114 GLY H H 141 8.530 8.497 0.033 1 1 1410 . 10 1 1 A 114 114 GLY HA2 H 141 4.000 3.764 0.236 1 1 1411 . 10 1 1 A 114 114 GLY HA3 H 141 3.820 3.772 0.048 1 1 1412 . 10 1 1 A 114 114 GLY C C 141 172.650 175.828 -3.178 1 1 1413 . 10 1 1 A 114 114 GLY CA C 141 45.100 47.025 -1.925 1 1 1414 . 10 1 1 A 114 114 GLY N N 141 111.410 112.331 -0.921 1 1 1 . 11 1 1 A 2 2 SER HA H 29 4.540 4.990 -0.450 1 1 4 . 11 1 1 A 2 2 SER C C 29 174.370 173.224 1.146 1 1 5 . 11 1 1 A 2 2 SER CA C 29 58.380 57.672 0.708 1 1 6 . 11 1 1 A 2 2 SER CB C 29 63.670 61.791 1.879 1 1 7 . 11 1 1 A 3 3 SER H H 30 8.530 8.774 -0.244 1 1 8 . 11 1 1 A 3 3 SER HA H 30 4.480 5.869 -1.389 1 1 11 . 11 1 1 A 3 3 SER C C 30 174.610 173.886 0.724 1 1 12 . 11 1 1 A 3 3 SER CA C 30 58.380 56.647 1.733 1 1 13 . 11 1 1 A 3 3 SER CB C 30 63.690 65.665 -1.975 1 1 14 . 11 1 1 A 3 3 SER N N 30 117.760 118.293 -0.533 1 1 15 . 11 1 1 A 4 4 ASN H H 31 8.600 8.854 -0.254 1 1 16 . 11 1 1 A 4 4 ASN HA H 31 4.710 4.917 -0.207 1 1 21 . 11 1 1 A 4 4 ASN C C 31 175.840 174.387 1.453 1 1 22 . 11 1 1 A 4 4 ASN CA C 31 53.880 55.696 -1.816 1 1 23 . 11 1 1 A 4 4 ASN CB C 31 38.520 37.650 0.870 1 1 24 . 11 1 1 A 4 4 ASN N N 31 120.910 117.812 3.098 1 1 26 . 11 1 1 A 5 5 SER H H 32 8.360 8.494 -0.134 1 1 27 . 11 1 1 A 5 5 SER HA H 32 4.420 5.951 -1.531 1 1 30 . 11 1 1 A 5 5 SER C C 32 174.700 174.782 -0.082 1 1 31 . 11 1 1 A 5 5 SER CA C 32 59.310 59.804 -0.494 1 1 32 . 11 1 1 A 5 5 SER CB C 32 63.410 65.172 -1.762 1 1 33 . 11 1 1 A 5 5 SER N N 32 115.920 117.066 -1.146 1 1 34 . 11 1 1 A 6 6 GLU H H 33 8.370 8.763 -0.393 1 1 35 . 11 1 1 A 6 6 GLU HA H 33 4.530 4.544 -0.014 1 1 40 . 11 1 1 A 6 6 GLU C C 33 176.390 177.025 -0.635 1 1 41 . 11 1 1 A 6 6 GLU CA C 33 56.510 57.152 -0.642 1 1 42 . 11 1 1 A 6 6 GLU CB C 33 29.850 29.831 0.019 1 1 44 . 11 1 1 A 6 6 GLU N N 33 121.670 120.337 1.333 1 1 45 . 11 1 1 A 7 7 LYS H H 34 8.120 7.684 0.436 1 1 46 . 11 1 1 A 7 7 LYS HA H 34 4.370 4.076 0.294 1 1 55 . 11 1 1 A 7 7 LYS C C 34 176.060 175.952 0.108 1 1 56 . 11 1 1 A 7 7 LYS CA C 34 56.140 57.160 -1.020 1 1 57 . 11 1 1 A 7 7 LYS CB C 34 33.200 32.687 0.513 1 1 61 . 11 1 1 A 7 7 LYS N N 34 121.020 122.677 -1.657 1 1 62 . 11 1 1 A 8 8 GLU H H 35 8.550 8.392 0.158 1 1 63 . 11 1 1 A 8 8 GLU HA H 35 4.830 4.641 0.189 1 1 68 . 11 1 1 A 8 8 GLU C C 35 175.050 174.949 0.101 1 1 69 . 11 1 1 A 8 8 GLU CA C 35 56.390 55.487 0.903 1 1 70 . 11 1 1 A 8 8 GLU CB C 35 31.340 29.949 1.391 1 1 72 . 11 1 1 A 8 8 GLU N N 35 122.450 122.902 -0.452 1 1 73 . 11 1 1 A 9 9 TRP H H 36 9.680 9.448 0.232 1 1 74 . 11 1 1 A 9 9 TRP HA H 36 4.860 5.247 -0.387 1 1 80 . 11 1 1 A 9 9 TRP C C 36 175.390 175.826 -0.436 1 1 81 . 11 1 1 A 9 9 TRP CA C 36 55.890 56.061 -0.171 1 1 82 . 11 1 1 A 9 9 TRP CB C 36 30.810 30.423 0.387 1 1 85 . 11 1 1 A 9 9 TRP N N 36 122.800 125.753 -2.953 1 1 87 . 11 1 1 A 10 10 HIS H H 37 9.690 9.064 0.626 1 1 88 . 11 1 1 A 10 10 HIS HA H 37 4.990 4.924 0.066 1 1 93 . 11 1 1 A 10 10 HIS C C 37 174.840 174.743 0.097 1 1 94 . 11 1 1 A 10 10 HIS CA C 37 54.720 56.018 -1.298 1 1 95 . 11 1 1 A 10 10 HIS CB C 37 29.840 29.912 -0.072 1 1 98 . 11 1 1 A 10 10 HIS N N 37 120.400 123.222 -2.822 1 1 99 . 11 1 1 A 11 11 ILE H H 38 7.740 8.474 -0.734 1 1 100 . 11 1 1 A 11 11 ILE HA H 38 4.360 4.655 -0.295 1 1 110 . 11 1 1 A 11 11 ILE C C 38 175.030 175.657 -0.627 1 1 111 . 11 1 1 A 11 11 ILE CA C 38 62.110 61.642 0.468 1 1 112 . 11 1 1 A 11 11 ILE CB C 38 37.590 37.878 -0.288 1 1 116 . 11 1 1 A 11 11 ILE N N 38 121.700 125.209 -3.509 1 1 117 . 11 1 1 A 12 12 VAL H H 39 9.370 8.743 0.627 1 1 118 . 11 1 1 A 12 12 VAL HA H 39 4.690 4.496 0.194 1 1 126 . 11 1 1 A 12 12 VAL CA C 39 58.500 58.676 -0.176 1 1 127 . 11 1 1 A 12 12 VAL CB C 39 34.970 34.964 0.006 1 1 130 . 11 1 1 A 12 12 VAL N N 39 130.310 127.158 3.152 1 1 131 . 11 1 1 A 13 13 PRO HA H 40 4.470 5.064 -0.594 1 1 138 . 11 1 1 A 13 13 PRO C C 40 175.070 176.178 -1.108 1 1 139 . 11 1 1 A 13 13 PRO CA C 40 63.130 62.241 0.889 1 1 140 . 11 1 1 A 13 13 PRO CB C 40 33.580 32.323 1.257 1 1 143 . 11 1 1 A 14 14 VAL H H 41 7.970 8.936 -0.966 1 1 144 . 11 1 1 A 14 14 VAL HA H 41 4.170 4.159 0.011 1 1 152 . 11 1 1 A 14 14 VAL C C 41 175.360 176.048 -0.688 1 1 153 . 11 1 1 A 14 14 VAL CA C 41 63.600 63.242 0.358 1 1 154 . 11 1 1 A 14 14 VAL CB C 41 34.050 32.615 1.435 1 1 157 . 11 1 1 A 14 14 VAL N N 41 119.000 118.193 0.807 1 1 158 . 11 1 1 A 15 15 SER H H 42 8.040 7.697 0.343 1 1 159 . 11 1 1 A 15 15 SER HA H 42 4.530 4.344 0.186 1 1 162 . 11 1 1 A 15 15 SER C C 42 176.240 175.039 1.201 1 1 163 . 11 1 1 A 15 15 SER CA C 42 57.620 56.457 1.163 1 1 164 . 11 1 1 A 15 15 SER CB C 42 64.250 64.484 -0.234 1 1 165 . 11 1 1 A 15 15 SER N N 42 113.900 115.361 -1.461 1 1 166 . 11 1 1 A 16 16 LYS H H 43 8.690 8.586 0.104 1 1 167 . 11 1 1 A 16 16 LYS HA H 43 2.830 3.621 -0.791 1 1 176 . 11 1 1 A 16 16 LYS C C 43 177.790 178.526 -0.736 1 1 177 . 11 1 1 A 16 16 LYS CA C 43 58.100 58.768 -0.668 1 1 178 . 11 1 1 A 16 16 LYS CB C 43 31.840 31.912 -0.072 1 1 182 . 11 1 1 A 16 16 LYS N N 43 124.940 123.779 1.161 1 1 183 . 11 1 1 A 17 17 ASP H H 44 8.590 7.783 0.807 1 1 184 . 11 1 1 A 17 17 ASP HA H 44 4.100 4.402 -0.302 1 1 187 . 11 1 1 A 17 17 ASP C C 44 176.670 177.054 -0.384 1 1 188 . 11 1 1 A 17 17 ASP CA C 44 55.580 56.560 -0.980 1 1 189 . 11 1 1 A 17 17 ASP CB C 44 39.300 40.818 -1.518 1 1 190 . 11 1 1 A 17 17 ASP N N 44 118.140 120.154 -2.014 1 1 191 . 11 1 1 A 18 18 TYR H H 45 7.870 8.054 -0.184 1 1 192 . 11 1 1 A 18 18 TYR HA H 45 4.550 4.672 -0.122 1 1 199 . 11 1 1 A 18 18 TYR C C 45 174.860 176.628 -1.768 1 1 200 . 11 1 1 A 18 18 TYR CA C 45 58.510 57.880 0.630 1 1 201 . 11 1 1 A 18 18 TYR CB C 45 39.470 38.865 0.605 1 1 206 . 11 1 1 A 18 18 TYR N N 45 115.260 116.699 -1.439 1 1 207 . 11 1 1 A 19 19 PHE H H 46 7.430 7.923 -0.493 1 1 208 . 11 1 1 A 19 19 PHE HA H 46 4.360 4.431 -0.071 1 1 215 . 11 1 1 A 19 19 PHE C C 46 176.950 176.973 -0.023 1 1 216 . 11 1 1 A 19 19 PHE CA C 46 59.340 60.889 -1.549 1 1 217 . 11 1 1 A 19 19 PHE CB C 46 37.870 38.048 -0.178 1 1 222 . 11 1 1 A 19 19 PHE N N 46 120.020 121.014 -0.994 1 1 223 . 11 1 1 A 20 20 SER H H 47 8.620 7.849 0.771 1 1 224 . 11 1 1 A 20 20 SER HA H 47 4.430 4.666 -0.236 1 1 227 . 11 1 1 A 20 20 SER C C 47 173.980 174.952 -0.972 1 1 228 . 11 1 1 A 20 20 SER CA C 47 58.660 58.394 0.266 1 1 229 . 11 1 1 A 20 20 SER CB C 47 62.850 63.973 -1.123 1 1 230 . 11 1 1 A 20 20 SER N N 47 111.500 111.824 -0.324 1 1 231 . 11 1 1 A 21 21 ILE H H 48 7.660 7.626 0.034 1 1 232 . 11 1 1 A 21 21 ILE HA H 48 4.110 4.203 -0.093 1 1 242 . 11 1 1 A 21 21 ILE CA C 48 59.780 60.689 -0.909 1 1 243 . 11 1 1 A 21 21 ILE CB C 48 38.330 37.818 0.512 1 1 247 . 11 1 1 A 21 21 ILE N N 48 119.380 124.472 -5.092 1 1 248 . 11 1 1 A 22 22 PRO HA H 49 4.500 4.561 -0.061 1 1 255 . 11 1 1 A 22 22 PRO C C 49 176.110 177.512 -1.402 1 1 256 . 11 1 1 A 22 22 PRO CA C 49 62.880 62.596 0.284 1 1 257 . 11 1 1 A 22 22 PRO CB C 49 32.570 33.217 -0.647 1 1 260 . 11 1 1 A 23 23 ASN H H 50 8.630 8.829 -0.199 1 1 261 . 11 1 1 A 23 23 ASN HA H 50 4.800 4.546 0.254 1 1 266 . 11 1 1 A 23 23 ASN C C 50 176.580 175.013 1.567 1 1 267 . 11 1 1 A 23 23 ASN CA C 50 53.610 56.173 -2.563 1 1 268 . 11 1 1 A 23 23 ASN CB C 50 38.490 38.859 -0.369 1 1 269 . 11 1 1 A 23 23 ASN N N 50 117.590 118.553 -0.963 1 1 271 . 11 1 1 A 24 24 ASP H H 51 8.580 7.850 0.730 1 1 272 . 11 1 1 A 24 24 ASP HA H 51 4.760 4.919 -0.159 1 1 275 . 11 1 1 A 24 24 ASP C C 51 175.090 174.140 0.950 1 1 276 . 11 1 1 A 24 24 ASP CA C 51 52.500 54.137 -1.637 1 1 277 . 11 1 1 A 24 24 ASP CB C 51 39.840 43.137 -3.297 1 1 278 . 11 1 1 A 24 24 ASP N N 51 120.490 117.784 2.706 1 1 279 . 11 1 1 A 25 25 LEU H H 52 8.400 8.960 -0.560 1 1 280 . 11 1 1 A 25 25 LEU HA H 52 4.390 4.866 -0.476 1 1 290 . 11 1 1 A 25 25 LEU C C 52 176.340 176.212 0.128 1 1 291 . 11 1 1 A 25 25 LEU CA C 52 55.460 53.806 1.654 1 1 292 . 11 1 1 A 25 25 LEU CB C 52 43.270 43.709 -0.439 1 1 296 . 11 1 1 A 25 25 LEU N N 52 119.530 127.300 -7.770 1 1 297 . 11 1 1 A 26 26 LEU H H 53 8.840 9.442 -0.602 1 1 298 . 11 1 1 A 26 26 LEU HA H 53 5.140 4.848 0.292 1 1 308 . 11 1 1 A 26 26 LEU C C 53 174.620 175.246 -0.626 1 1 309 . 11 1 1 A 26 26 LEU CA C 53 52.840 53.081 -0.241 1 1 310 . 11 1 1 A 26 26 LEU CB C 53 44.070 42.662 1.408 1 1 314 . 11 1 1 A 26 26 LEU N N 53 126.610 123.112 3.498 1 1 315 . 11 1 1 A 27 27 TRP H H 54 9.230 9.476 -0.246 1 1 316 . 11 1 1 A 27 27 TRP HA H 54 5.570 5.144 0.426 1 1 325 . 11 1 1 A 27 27 TRP C C 54 175.740 175.163 0.577 1 1 326 . 11 1 1 A 27 27 TRP CA C 54 54.510 55.837 -1.327 1 1 327 . 11 1 1 A 27 27 TRP CB C 54 31.710 32.514 -0.804 1 1 333 . 11 1 1 A 27 27 TRP N N 54 122.650 128.289 -5.639 1 1 335 . 11 1 1 A 28 28 SER H H 55 9.240 8.855 0.385 1 1 336 . 11 1 1 A 28 28 SER HA H 55 5.490 5.886 -0.396 1 1 339 . 11 1 1 A 28 28 SER C C 55 173.440 173.405 0.035 1 1 340 . 11 1 1 A 28 28 SER CA C 55 56.990 57.709 -0.719 1 1 341 . 11 1 1 A 28 28 SER CB C 55 66.150 65.699 0.451 1 1 342 . 11 1 1 A 28 28 SER N N 55 121.970 124.099 -2.129 1 1 343 . 11 1 1 A 29 29 PHE H H 56 9.590 8.840 0.750 1 1 344 . 11 1 1 A 29 29 PHE HA H 56 5.150 4.846 0.304 1 1 352 . 11 1 1 A 29 29 PHE C C 56 175.810 175.406 0.404 1 1 353 . 11 1 1 A 29 29 PHE CA C 56 57.180 58.689 -1.509 1 1 354 . 11 1 1 A 29 29 PHE CB C 56 42.370 38.750 3.620 1 1 360 . 11 1 1 A 29 29 PHE N N 56 121.420 126.780 -5.360 1 1 361 . 11 1 1 A 30 30 ASN H H 57 9.400 9.117 0.283 1 1 362 . 11 1 1 A 30 30 ASN HA H 57 5.220 5.198 0.022 1 1 367 . 11 1 1 A 30 30 ASN C C 57 176.540 176.071 0.469 1 1 368 . 11 1 1 A 30 30 ASN CA C 57 52.320 52.597 -0.277 1 1 369 . 11 1 1 A 30 30 ASN CB C 57 38.520 38.654 -0.134 1 1 370 . 11 1 1 A 30 30 ASN N N 57 120.660 123.657 -2.997 1 1 372 . 11 1 1 A 31 31 THR H H 58 9.180 8.274 0.906 1 1 373 . 11 1 1 A 31 31 THR HA H 58 4.800 4.753 0.047 1 1 378 . 11 1 1 A 31 31 THR C C 58 176.950 175.962 0.988 1 1 379 . 11 1 1 A 31 31 THR CA C 58 63.430 62.421 1.009 1 1 380 . 11 1 1 A 31 31 THR CB C 58 68.110 70.004 -1.894 1 1 382 . 11 1 1 A 31 31 THR N N 58 114.630 115.482 -0.852 1 1 383 . 11 1 1 A 32 32 THR H H 59 8.450 8.062 0.388 1 1 384 . 11 1 1 A 32 32 THR HA H 59 4.130 4.453 -0.323 1 1 389 . 11 1 1 A 32 32 THR C C 59 175.130 176.334 -1.204 1 1 390 . 11 1 1 A 32 32 THR CA C 59 65.550 64.604 0.946 1 1 391 . 11 1 1 A 32 32 THR CB C 59 68.200 69.328 -1.128 1 1 393 . 11 1 1 A 32 32 THR N N 59 120.020 116.792 3.228 1 1 394 . 11 1 1 A 33 33 ASN H H 60 7.500 7.984 -0.484 1 1 395 . 11 1 1 A 33 33 ASN HA H 60 4.690 4.693 -0.003 1 1 400 . 11 1 1 A 33 33 ASN C C 60 174.230 174.818 -0.588 1 1 401 . 11 1 1 A 33 33 ASN CA C 60 51.650 52.096 -0.446 1 1 402 . 11 1 1 A 33 33 ASN CB C 60 37.870 37.946 -0.076 1 1 403 . 11 1 1 A 33 33 ASN N N 60 117.490 114.606 2.884 1 1 405 . 11 1 1 A 34 34 LYS H H 61 7.580 7.975 -0.395 1 1 406 . 11 1 1 A 34 34 LYS HA H 61 3.500 4.593 -1.093 1 1 415 . 11 1 1 A 34 34 LYS C C 61 172.880 174.956 -2.076 1 1 416 . 11 1 1 A 34 34 LYS CA C 61 57.160 57.087 0.073 1 1 417 . 11 1 1 A 34 34 LYS CB C 61 28.540 30.602 -2.062 1 1 421 . 11 1 1 A 34 34 LYS N N 61 118.030 116.420 1.610 1 1 422 . 11 1 1 A 35 35 SER H H 62 8.560 9.002 -0.442 1 1 423 . 11 1 1 A 35 35 SER HA H 62 5.670 4.818 0.852 1 1 426 . 11 1 1 A 35 35 SER C C 62 173.510 172.232 1.278 1 1 427 . 11 1 1 A 35 35 SER CA C 62 56.110 56.791 -0.681 1 1 428 . 11 1 1 A 35 35 SER CB C 62 67.800 64.268 3.532 1 1 429 . 11 1 1 A 35 35 SER N N 62 109.720 115.255 -5.535 1 1 430 . 11 1 1 A 36 36 ILE H H 63 8.750 8.879 -0.129 1 1 431 . 11 1 1 A 36 36 ILE HA H 63 4.940 5.011 -0.071 1 1 441 . 11 1 1 A 36 36 ILE C C 63 174.660 175.201 -0.541 1 1 442 . 11 1 1 A 36 36 ILE CA C 63 58.180 59.716 -1.536 1 1 443 . 11 1 1 A 36 36 ILE CB C 63 40.660 40.498 0.162 1 1 447 . 11 1 1 A 36 36 ILE N N 63 117.490 122.123 -4.633 1 1 448 . 11 1 1 A 37 37 ASN H H 64 8.400 8.808 -0.408 1 1 449 . 11 1 1 A 37 37 ASN HA H 64 5.650 5.953 -0.303 1 1 454 . 11 1 1 A 37 37 ASN C C 64 173.490 174.486 -0.996 1 1 455 . 11 1 1 A 37 37 ASN CA C 64 51.670 51.860 -0.190 1 1 456 . 11 1 1 A 37 37 ASN CB C 64 41.900 41.415 0.485 1 1 457 . 11 1 1 A 37 37 ASN N N 64 122.180 124.141 -1.961 1 1 459 . 11 1 1 A 38 38 VAL H H 65 8.900 9.239 -0.339 1 1 460 . 11 1 1 A 38 38 VAL HA H 65 5.540 4.875 0.665 1 1 468 . 11 1 1 A 38 38 VAL C C 65 174.590 175.072 -0.482 1 1 469 . 11 1 1 A 38 38 VAL CA C 65 60.060 61.149 -1.089 1 1 470 . 11 1 1 A 38 38 VAL CB C 65 34.870 32.992 1.878 1 1 473 . 11 1 1 A 38 38 VAL N N 65 122.060 125.778 -3.718 1 1 474 . 11 1 1 A 39 39 TYR H H 66 8.910 8.936 -0.026 1 1 475 . 11 1 1 A 39 39 TYR HA H 66 5.490 5.920 -0.430 1 1 482 . 11 1 1 A 39 39 TYR C C 66 172.810 173.443 -0.633 1 1 483 . 11 1 1 A 39 39 TYR CA C 66 56.220 55.733 0.487 1 1 484 . 11 1 1 A 39 39 TYR CB C 66 40.620 42.256 -1.636 1 1 489 . 11 1 1 A 39 39 TYR N N 66 123.530 124.247 -0.717 1 1 490 . 11 1 1 A 40 40 SER H H 67 8.970 9.331 -0.361 1 1 491 . 11 1 1 A 40 40 SER HA H 67 4.780 4.844 -0.064 1 1 495 . 11 1 1 A 40 40 SER C C 67 174.360 174.413 -0.053 1 1 496 . 11 1 1 A 40 40 SER CA C 67 56.580 57.082 -0.502 1 1 497 . 11 1 1 A 40 40 SER CB C 67 66.290 65.515 0.775 1 1 498 . 11 1 1 A 40 40 SER N N 67 115.210 114.185 1.025 1 1 499 . 11 1 1 A 41 41 LYS H H 68 9.020 8.700 0.320 1 1 500 . 11 1 1 A 41 41 LYS HA H 68 4.210 3.956 0.254 1 1 509 . 11 1 1 A 41 41 LYS C C 68 177.730 177.099 0.631 1 1 510 . 11 1 1 A 41 41 LYS CA C 68 59.240 59.539 -0.299 1 1 511 . 11 1 1 A 41 41 LYS CB C 68 31.660 31.984 -0.324 1 1 515 . 11 1 1 A 41 41 LYS N N 68 118.790 118.394 0.396 1 1 516 . 11 1 1 A 42 42 CYS H H 69 8.090 7.385 0.705 1 1 517 . 11 1 1 A 42 42 CYS HA H 69 4.750 4.762 -0.012 1 1 520 . 11 1 1 A 42 42 CYS C C 69 173.260 172.789 0.471 1 1 521 . 11 1 1 A 42 42 CYS CA C 69 52.780 55.965 -3.185 1 1 522 . 11 1 1 A 42 42 CYS CB C 69 39.470 44.104 -4.634 1 1 523 . 11 1 1 A 42 42 CYS N N 69 113.650 114.743 -1.093 1 1 524 . 11 1 1 A 43 43 ILE H H 70 7.550 7.639 -0.089 1 1 525 . 11 1 1 A 43 43 ILE HA H 70 5.210 5.341 -0.131 1 1 535 . 11 1 1 A 43 43 ILE C C 70 171.870 174.054 -2.184 1 1 536 . 11 1 1 A 43 43 ILE CA C 70 59.800 59.923 -0.123 1 1 537 . 11 1 1 A 43 43 ILE CB C 70 42.550 42.624 -0.074 1 1 541 . 11 1 1 A 43 43 ILE N N 70 118.580 122.017 -3.437 1 1 542 . 11 1 1 A 44 44 SER H H 71 8.190 8.521 -0.331 1 1 543 . 11 1 1 A 44 44 SER HA H 71 5.190 5.283 -0.093 1 1 546 . 11 1 1 A 44 44 SER C C 71 173.790 173.166 0.624 1 1 547 . 11 1 1 A 44 44 SER CA C 71 56.980 57.868 -0.888 1 1 548 . 11 1 1 A 44 44 SER CB C 71 64.910 65.277 -0.367 1 1 549 . 11 1 1 A 44 44 SER N N 71 117.640 121.385 -3.745 1 1 550 . 11 1 1 A 45 45 GLY H H 72 9.720 9.374 0.346 1 1 551 . 11 1 1 A 45 45 GLY HA2 H 72 5.280 4.353 0.927 1 1 552 . 11 1 1 A 45 45 GLY HA3 H 72 3.460 4.375 -0.915 1 1 553 . 11 1 1 A 45 45 GLY C C 72 171.300 171.746 -0.446 1 1 554 . 11 1 1 A 45 45 GLY CA C 72 45.230 44.464 0.766 1 1 555 . 11 1 1 A 45 45 GLY N N 72 114.160 113.648 0.512 1 1 556 . 11 1 1 A 46 46 LYS H H 73 8.340 8.589 -0.249 1 1 557 . 11 1 1 A 46 46 LYS HA H 73 5.530 5.713 -0.183 1 1 566 . 11 1 1 A 46 46 LYS C C 73 174.510 174.634 -0.124 1 1 567 . 11 1 1 A 46 46 LYS CA C 73 54.930 54.945 -0.015 1 1 568 . 11 1 1 A 46 46 LYS CB C 73 36.420 35.431 0.989 1 1 572 . 11 1 1 A 46 46 LYS N N 73 123.520 122.984 0.536 1 1 573 . 11 1 1 A 47 47 ALA H H 74 8.440 8.744 -0.304 1 1 574 . 11 1 1 A 47 47 ALA HA H 74 4.400 5.208 -0.808 1 1 578 . 11 1 1 A 47 47 ALA C C 74 175.850 175.239 0.611 1 1 579 . 11 1 1 A 47 47 ALA CA C 74 49.860 50.520 -0.660 1 1 580 . 11 1 1 A 47 47 ALA CB C 74 20.750 23.031 -2.281 1 1 581 . 11 1 1 A 47 47 ALA N N 74 125.710 126.244 -0.534 1 1 582 . 11 1 1 A 48 48 VAL H H 75 7.840 8.209 -0.369 1 1 583 . 11 1 1 A 48 48 VAL HA H 75 4.640 4.394 0.246 1 1 591 . 11 1 1 A 48 48 VAL C C 75 176.660 174.816 1.844 1 1 592 . 11 1 1 A 48 48 VAL CA C 75 61.160 60.771 0.389 1 1 593 . 11 1 1 A 48 48 VAL CB C 75 32.180 34.094 -1.914 1 1 596 . 11 1 1 A 48 48 VAL N N 75 120.660 119.009 1.651 1 1 597 . 11 1 1 A 49 49 TYR H H 76 8.340 8.213 0.127 1 1 598 . 11 1 1 A 49 49 TYR HA H 76 5.230 5.442 -0.212 1 1 605 . 11 1 1 A 49 49 TYR C C 76 173.480 174.243 -0.763 1 1 606 . 11 1 1 A 49 49 TYR CA C 76 54.940 55.459 -0.519 1 1 607 . 11 1 1 A 49 49 TYR CB C 76 42.030 41.037 0.993 1 1 612 . 11 1 1 A 49 49 TYR N N 76 126.510 124.830 1.680 1 1 613 . 11 1 1 A 50 50 SER H H 77 8.360 8.232 0.128 1 1 614 . 11 1 1 A 50 50 SER HA H 77 4.560 5.065 -0.505 1 1 617 . 11 1 1 A 50 50 SER C C 77 171.180 172.959 -1.779 1 1 618 . 11 1 1 A 50 50 SER CA C 77 56.890 57.298 -0.408 1 1 619 . 11 1 1 A 50 50 SER CB C 77 65.650 66.523 -0.873 1 1 620 . 11 1 1 A 50 50 SER N N 77 111.300 115.872 -4.572 1 1 621 . 11 1 1 A 51 51 PHE H H 78 8.660 8.779 -0.119 1 1 622 . 11 1 1 A 51 51 PHE HA H 78 5.860 5.747 0.113 1 1 630 . 11 1 1 A 51 51 PHE C C 78 176.800 174.471 2.329 1 1 631 . 11 1 1 A 51 51 PHE CA C 78 56.090 56.335 -0.245 1 1 632 . 11 1 1 A 51 51 PHE CB C 78 42.280 42.698 -0.418 1 1 638 . 11 1 1 A 51 51 PHE N N 78 116.710 119.739 -3.029 1 1 639 . 11 1 1 A 52 52 ASN H H 79 9.190 9.104 0.086 1 1 640 . 11 1 1 A 52 52 ASN HA H 79 4.900 5.185 -0.285 1 1 645 . 11 1 1 A 52 52 ASN C C 79 174.870 174.507 0.363 1 1 646 . 11 1 1 A 52 52 ASN CA C 79 53.300 52.607 0.693 1 1 647 . 11 1 1 A 52 52 ASN CB C 79 41.350 40.855 0.495 1 1 648 . 11 1 1 A 52 52 ASN N N 79 119.620 120.844 -1.224 1 1 650 . 11 1 1 A 53 53 ALA H H 80 9.650 9.253 0.397 1 1 651 . 11 1 1 A 53 53 ALA HA H 80 4.110 4.091 0.019 1 1 655 . 11 1 1 A 53 53 ALA C C 80 176.800 177.067 -0.267 1 1 656 . 11 1 1 A 53 53 ALA CA C 80 52.860 53.380 -0.520 1 1 657 . 11 1 1 A 53 53 ALA CB C 80 16.760 17.910 -1.150 1 1 658 . 11 1 1 A 53 53 ALA N N 80 131.210 129.995 1.215 1 1 659 . 11 1 1 A 54 54 GLY H H 81 8.850 8.511 0.339 1 1 660 . 11 1 1 A 54 54 GLY HA2 H 81 4.320 3.898 0.422 1 1 661 . 11 1 1 A 54 54 GLY HA3 H 81 4.220 3.911 0.309 1 1 662 . 11 1 1 A 54 54 GLY C C 81 173.950 174.106 -0.156 1 1 663 . 11 1 1 A 54 54 GLY CA C 81 45.320 45.290 0.030 1 1 664 . 11 1 1 A 54 54 GLY N N 81 104.570 102.607 1.963 1 1 665 . 11 1 1 A 55 55 LYS H H 82 8.030 7.908 0.122 1 1 666 . 11 1 1 A 55 55 LYS HA H 82 4.910 4.453 0.457 1 1 675 . 11 1 1 A 55 55 LYS C C 82 174.120 175.735 -1.615 1 1 676 . 11 1 1 A 55 55 LYS CA C 82 54.350 56.177 -1.827 1 1 677 . 11 1 1 A 55 55 LYS CB C 82 34.010 32.838 1.172 1 1 681 . 11 1 1 A 55 55 LYS N N 82 120.230 120.627 -0.397 1 1 682 . 11 1 1 A 56 56 PHE H H 83 9.390 9.345 0.045 1 1 683 . 11 1 1 A 56 56 PHE HA H 83 4.250 4.891 -0.641 1 1 691 . 11 1 1 A 56 56 PHE C C 83 173.870 174.169 -0.299 1 1 692 . 11 1 1 A 56 56 PHE CA C 83 56.630 56.556 0.074 1 1 693 . 11 1 1 A 56 56 PHE CB C 83 40.940 41.544 -0.604 1 1 699 . 11 1 1 A 56 56 PHE N N 83 125.150 125.386 -0.236 1 1 700 . 11 1 1 A 57 57 MET H H 84 8.270 8.479 -0.209 1 1 701 . 11 1 1 A 57 57 MET HA H 84 5.140 5.871 -0.731 1 1 709 . 11 1 1 A 57 57 MET C C 84 174.090 175.036 -0.946 1 1 710 . 11 1 1 A 57 57 MET CA C 84 53.600 53.956 -0.356 1 1 711 . 11 1 1 A 57 57 MET CB C 84 36.190 37.630 -1.440 1 1 714 . 11 1 1 A 57 57 MET N N 84 124.270 124.604 -0.334 1 1 715 . 11 1 1 A 58 58 GLY H H 85 7.420 8.366 -0.946 1 1 716 . 11 1 1 A 58 58 GLY HA2 H 85 3.900 3.970 -0.070 1 1 717 . 11 1 1 A 58 58 GLY HA3 H 85 2.790 4.085 -1.295 1 1 718 . 11 1 1 A 58 58 GLY C C 85 169.900 171.819 -1.919 1 1 719 . 11 1 1 A 58 58 GLY CA C 85 45.620 45.273 0.347 1 1 720 . 11 1 1 A 58 58 GLY N N 85 103.440 107.513 -4.073 1 1 721 . 11 1 1 A 59 59 ASN H H 86 8.410 7.925 0.485 1 1 722 . 11 1 1 A 59 59 ASN HA H 86 4.890 5.346 -0.456 1 1 727 . 11 1 1 A 59 59 ASN C C 86 174.650 173.713 0.937 1 1 728 . 11 1 1 A 59 59 ASN CA C 86 51.110 52.002 -0.892 1 1 729 . 11 1 1 A 59 59 ASN CB C 86 38.140 41.880 -3.740 1 1 730 . 11 1 1 A 59 59 ASN N N 86 122.270 117.925 4.345 1 1 732 . 11 1 1 A 60 60 PHE H H 87 8.870 8.973 -0.103 1 1 733 . 11 1 1 A 60 60 PHE HA H 87 4.120 5.271 -1.151 1 1 741 . 11 1 1 A 60 60 PHE C C 87 175.620 175.115 0.505 1 1 742 . 11 1 1 A 60 60 PHE CA C 87 58.850 56.392 2.458 1 1 743 . 11 1 1 A 60 60 PHE CB C 87 39.910 40.975 -1.065 1 1 749 . 11 1 1 A 60 60 PHE N N 87 123.420 125.890 -2.470 1 1 750 . 11 1 1 A 61 61 ASN H H 88 8.610 9.322 -0.712 1 1 751 . 11 1 1 A 61 61 ASN HA H 88 4.900 5.115 -0.215 1 1 756 . 11 1 1 A 61 61 ASN C C 88 175.090 174.060 1.030 1 1 757 . 11 1 1 A 61 61 ASN CA C 88 52.690 51.822 0.868 1 1 758 . 11 1 1 A 61 61 ASN CB C 88 39.830 39.274 0.556 1 1 759 . 11 1 1 A 61 61 ASN N N 88 121.520 121.093 0.427 1 1 761 . 11 1 1 A 62 62 VAL H H 89 8.890 8.543 0.347 1 1 762 . 11 1 1 A 62 62 VAL HA H 89 4.820 4.706 0.114 1 1 770 . 11 1 1 A 62 62 VAL C C 89 174.650 174.363 0.287 1 1 771 . 11 1 1 A 62 62 VAL CA C 89 60.870 61.829 -0.959 1 1 772 . 11 1 1 A 62 62 VAL CB C 89 34.690 33.204 1.486 1 1 775 . 11 1 1 A 62 62 VAL N N 89 123.750 124.548 -0.798 1 1 776 . 11 1 1 A 63 63 LYS H H 90 8.750 9.323 -0.573 1 1 777 . 11 1 1 A 63 63 LYS HA H 90 4.670 4.903 -0.233 1 1 786 . 11 1 1 A 63 63 LYS C C 90 174.990 175.490 -0.500 1 1 787 . 11 1 1 A 63 63 LYS CA C 90 55.010 54.933 0.077 1 1 788 . 11 1 1 A 63 63 LYS CB C 90 34.030 34.030 0.000 1 1 792 . 11 1 1 A 63 63 LYS N N 90 126.210 128.175 -1.965 1 1 793 . 11 1 1 A 64 64 GLU H H 91 9.170 9.006 0.164 1 1 794 . 11 1 1 A 64 64 GLU HA H 91 5.020 5.273 -0.253 1 1 799 . 11 1 1 A 64 64 GLU C C 91 175.680 175.099 0.581 1 1 800 . 11 1 1 A 64 64 GLU CA C 91 54.400 54.599 -0.199 1 1 801 . 11 1 1 A 64 64 GLU CB C 91 32.690 33.389 -0.699 1 1 803 . 11 1 1 A 64 64 GLU N N 91 128.500 124.414 4.086 1 1 804 . 11 1 1 A 65 65 VAL H H 92 8.330 8.768 -0.438 1 1 805 . 11 1 1 A 65 65 VAL HA H 92 3.880 4.815 -0.935 1 1 813 . 11 1 1 A 65 65 VAL C C 92 175.940 173.859 2.081 1 1 814 . 11 1 1 A 65 65 VAL CA C 92 62.290 60.590 1.700 1 1 815 . 11 1 1 A 65 65 VAL CB C 92 32.080 33.508 -1.428 1 1 818 . 11 1 1 A 65 65 VAL N N 92 126.870 118.294 8.576 1 1 819 . 11 1 1 A 66 66 ASP H H 93 8.810 8.889 -0.079 1 1 820 . 11 1 1 A 66 66 ASP HA H 93 4.440 5.343 -0.903 1 1 823 . 11 1 1 A 66 66 ASP C C 93 177.330 176.900 0.430 1 1 824 . 11 1 1 A 66 66 ASP CA C 93 55.950 52.564 3.386 1 1 825 . 11 1 1 A 66 66 ASP CB C 93 40.760 42.964 -2.204 1 1 826 . 11 1 1 A 66 66 ASP N N 93 130.720 124.251 6.469 1 1 827 . 11 1 1 A 67 67 GLY H H 94 8.910 8.420 0.490 1 1 828 . 11 1 1 A 67 67 GLY HA2 H 94 4.020 3.919 0.101 1 1 829 . 11 1 1 A 67 67 GLY HA3 H 94 3.820 3.928 -0.108 1 1 830 . 11 1 1 A 67 67 GLY C C 94 173.530 174.795 -1.265 1 1 831 . 11 1 1 A 67 67 GLY CA C 94 45.830 45.189 0.641 1 1 832 . 11 1 1 A 67 67 GLY N N 94 112.760 113.077 -0.317 1 1 833 . 11 1 1 A 68 68 CYS H H 95 7.540 8.063 -0.523 1 1 834 . 11 1 1 A 68 68 CYS HA H 95 4.260 4.160 0.100 1 1 837 . 11 1 1 A 68 68 CYS C C 95 175.640 174.982 0.658 1 1 838 . 11 1 1 A 68 68 CYS CA C 95 58.280 58.651 -0.371 1 1 839 . 11 1 1 A 68 68 CYS CB C 95 38.240 41.947 -3.707 1 1 840 . 11 1 1 A 68 68 CYS N N 95 119.700 120.044 -0.344 1 1 841 . 11 1 1 A 69 69 PHE H H 96 8.850 7.799 1.051 1 1 842 . 11 1 1 A 69 69 PHE HA H 96 5.010 4.638 0.372 1 1 850 . 11 1 1 A 69 69 PHE C C 96 177.330 175.366 1.964 1 1 851 . 11 1 1 A 69 69 PHE CA C 96 56.460 57.561 -1.101 1 1 852 . 11 1 1 A 69 69 PHE CB C 96 40.020 38.868 1.152 1 1 858 . 11 1 1 A 69 69 PHE N N 96 117.790 117.957 -0.167 1 1 859 . 11 1 1 A 70 70 MET H H 97 8.710 8.086 0.624 1 1 860 . 11 1 1 A 70 70 MET HA H 97 4.700 4.274 0.426 1 1 868 . 11 1 1 A 70 70 MET C C 97 177.650 176.107 1.543 1 1 869 . 11 1 1 A 70 70 MET CA C 97 54.570 57.565 -2.995 1 1 870 . 11 1 1 A 70 70 MET CB C 97 33.990 31.416 2.574 1 1 873 . 11 1 1 A 70 70 MET N N 97 119.890 116.357 3.533 1 1 874 . 11 1 1 A 71 71 ASP H H 98 8.980 8.697 0.283 1 1 875 . 11 1 1 A 71 71 ASP HA H 98 4.280 4.838 -0.558 1 1 878 . 11 1 1 A 71 71 ASP C C 98 177.920 177.010 0.910 1 1 879 . 11 1 1 A 71 71 ASP CA C 98 58.380 55.350 3.030 1 1 880 . 11 1 1 A 71 71 ASP CB C 98 40.100 42.633 -2.533 1 1 881 . 11 1 1 A 71 71 ASP N N 98 123.440 124.787 -1.347 1 1 882 . 11 1 1 A 72 72 ALA H H 99 8.950 8.141 0.809 1 1 883 . 11 1 1 A 72 72 ALA HA H 99 4.030 4.106 -0.076 1 1 887 . 11 1 1 A 72 72 ALA C C 99 180.740 179.265 1.475 1 1 888 . 11 1 1 A 72 72 ALA CA C 99 55.020 54.273 0.747 1 1 889 . 11 1 1 A 72 72 ALA CB C 99 18.280 18.438 -0.158 1 1 890 . 11 1 1 A 72 72 ALA N N 99 119.200 122.408 -3.208 1 1 891 . 11 1 1 A 73 73 GLN H H 100 7.120 7.694 -0.574 1 1 892 . 11 1 1 A 73 73 GLN HA H 100 4.020 4.690 -0.670 1 1 899 . 11 1 1 A 73 73 GLN C C 100 176.880 178.182 -1.302 1 1 900 . 11 1 1 A 73 73 GLN CA C 100 57.720 58.685 -0.965 1 1 901 . 11 1 1 A 73 73 GLN CB C 100 28.940 28.081 0.859 1 1 903 . 11 1 1 A 73 73 GLN N N 100 115.380 117.797 -2.417 1 1 905 . 11 1 1 A 74 74 LYS H H 101 7.760 8.047 -0.287 1 1 906 . 11 1 1 A 74 74 LYS HA H 101 3.510 3.965 -0.455 1 1 915 . 11 1 1 A 74 74 LYS C C 101 177.610 178.506 -0.896 1 1 916 . 11 1 1 A 74 74 LYS CA C 101 58.500 59.240 -0.740 1 1 917 . 11 1 1 A 74 74 LYS CB C 101 31.790 32.393 -0.603 1 1 921 . 11 1 1 A 74 74 LYS N N 101 119.560 121.311 -1.751 1 1 922 . 11 1 1 A 75 75 ILE H H 102 7.760 8.131 -0.371 1 1 923 . 11 1 1 A 75 75 ILE HA H 102 3.750 3.593 0.157 1 1 933 . 11 1 1 A 75 75 ILE C C 102 178.530 177.718 0.812 1 1 934 . 11 1 1 A 75 75 ILE CA C 102 64.200 65.393 -1.193 1 1 935 . 11 1 1 A 75 75 ILE CB C 102 38.170 37.728 0.442 1 1 939 . 11 1 1 A 75 75 ILE N N 102 117.490 119.643 -2.153 1 1 940 . 11 1 1 A 76 76 ALA H H 103 7.090 8.516 -1.426 1 1 941 . 11 1 1 A 76 76 ALA HA H 103 3.990 3.637 0.353 1 1 945 . 11 1 1 A 76 76 ALA C C 103 178.650 180.156 -1.506 1 1 946 . 11 1 1 A 76 76 ALA CA C 103 55.020 55.128 -0.108 1 1 947 . 11 1 1 A 76 76 ALA CB C 103 18.570 18.249 0.321 1 1 948 . 11 1 1 A 76 76 ALA N N 103 121.190 121.785 -0.595 1 1 949 . 11 1 1 A 77 77 ILE H H 104 8.150 7.549 0.601 1 1 950 . 11 1 1 A 77 77 ILE HA H 104 3.420 3.449 -0.029 1 1 960 . 11 1 1 A 77 77 ILE C C 104 176.670 177.205 -0.535 1 1 961 . 11 1 1 A 77 77 ILE CA C 104 63.130 64.422 -1.292 1 1 962 . 11 1 1 A 77 77 ILE CB C 104 36.680 36.773 -0.093 1 1 966 . 11 1 1 A 77 77 ILE N N 104 119.240 118.299 0.941 1 1 967 . 11 1 1 A 78 78 ASP H H 105 8.290 8.540 -0.250 1 1 968 . 11 1 1 A 78 78 ASP HA H 105 4.440 4.228 0.212 1 1 971 . 11 1 1 A 78 78 ASP C C 105 180.350 178.476 1.874 1 1 972 . 11 1 1 A 78 78 ASP CA C 105 57.440 57.854 -0.414 1 1 973 . 11 1 1 A 78 78 ASP CB C 105 39.430 41.941 -2.511 1 1 974 . 11 1 1 A 78 78 ASP N N 105 121.080 121.612 -0.532 1 1 975 . 11 1 1 A 79 79 LYS H H 106 7.960 7.911 0.049 1 1 976 . 11 1 1 A 79 79 LYS HA H 106 4.010 3.961 0.049 1 1 985 . 11 1 1 A 79 79 LYS C C 106 178.580 178.917 -0.337 1 1 986 . 11 1 1 A 79 79 LYS CA C 106 59.780 59.169 0.611 1 1 987 . 11 1 1 A 79 79 LYS CB C 106 31.800 32.041 -0.241 1 1 991 . 11 1 1 A 79 79 LYS N N 106 121.340 118.785 2.555 1 1 992 . 11 1 1 A 80 80 LEU H H 107 8.230 7.968 0.262 1 1 993 . 11 1 1 A 80 80 LEU HA H 107 3.990 4.235 -0.245 1 1 1003 . 11 1 1 A 80 80 LEU C C 107 178.230 178.305 -0.075 1 1 1004 . 11 1 1 A 80 80 LEU CA C 107 58.570 58.125 0.445 1 1 1005 . 11 1 1 A 80 80 LEU CB C 107 41.110 41.359 -0.249 1 1 1009 . 11 1 1 A 80 80 LEU N N 107 123.530 120.939 2.591 1 1 1010 . 11 1 1 A 81 81 PHE H H 108 8.050 8.340 -0.290 1 1 1011 . 11 1 1 A 81 81 PHE HA H 108 4.350 3.879 0.471 1 1 1019 . 11 1 1 A 81 81 PHE C C 108 179.570 179.032 0.538 1 1 1020 . 11 1 1 A 81 81 PHE CA C 108 61.070 60.311 0.759 1 1 1021 . 11 1 1 A 81 81 PHE CB C 108 37.010 38.107 -1.097 1 1 1027 . 11 1 1 A 81 81 PHE N N 108 116.720 118.016 -1.296 1 1 1028 . 11 1 1 A 82 82 SER H H 109 8.410 8.486 -0.076 1 1 1029 . 11 1 1 A 82 82 SER HA H 109 4.360 4.329 0.031 1 1 1032 . 11 1 1 A 82 82 SER C C 109 176.200 177.594 -1.394 1 1 1033 . 11 1 1 A 82 82 SER CA C 109 61.830 61.439 0.391 1 1 1034 . 11 1 1 A 82 82 SER CB C 109 62.570 62.659 -0.089 1 1 1035 . 11 1 1 A 82 82 SER N N 109 118.120 116.329 1.791 1 1 1036 . 11 1 1 A 83 83 MET H H 110 8.420 8.243 0.177 1 1 1037 . 11 1 1 A 83 83 MET HA H 110 4.210 4.128 0.082 1 1 1043 . 11 1 1 A 83 83 MET C C 110 178.260 178.742 -0.482 1 1 1044 . 11 1 1 A 83 83 MET CA C 110 59.170 58.989 0.181 1 1 1045 . 11 1 1 A 83 83 MET CB C 110 31.240 32.704 -1.464 1 1 1047 . 11 1 1 A 83 83 MET N N 110 123.040 120.468 2.572 1 1 1048 . 11 1 1 A 84 84 LEU H H 111 8.080 8.129 -0.049 1 1 1049 . 11 1 1 A 84 84 LEU HA H 111 4.140 4.011 0.129 1 1 1059 . 11 1 1 A 84 84 LEU C C 111 178.030 178.807 -0.777 1 1 1060 . 11 1 1 A 84 84 LEU CA C 111 57.390 58.314 -0.924 1 1 1061 . 11 1 1 A 84 84 LEU CB C 111 41.430 41.819 -0.389 1 1 1065 . 11 1 1 A 84 84 LEU N N 111 117.910 119.813 -1.903 1 1 1066 . 11 1 1 A 85 85 LYS H H 112 7.640 7.675 -0.035 1 1 1067 . 11 1 1 A 85 85 LYS HA H 112 4.110 4.205 -0.095 1 1 1076 . 11 1 1 A 85 85 LYS C C 112 177.650 177.510 0.140 1 1 1077 . 11 1 1 A 85 85 LYS CA C 112 58.750 59.084 -0.334 1 1 1078 . 11 1 1 A 85 85 LYS CB C 112 32.240 32.462 -0.222 1 1 1082 . 11 1 1 A 85 85 LYS N N 112 119.340 117.649 1.691 1 1 1083 . 11 1 1 A 86 86 ASP H H 113 7.350 7.700 -0.350 1 1 1084 . 11 1 1 A 86 86 ASP HA H 113 4.570 4.718 -0.148 1 1 1087 . 11 1 1 A 86 86 ASP C C 113 176.950 176.358 0.592 1 1 1088 . 11 1 1 A 86 86 ASP CA C 113 55.770 54.146 1.624 1 1 1089 . 11 1 1 A 86 86 ASP CB C 113 42.420 41.439 0.981 1 1 1090 . 11 1 1 A 86 86 ASP N N 113 117.210 117.508 -0.298 1 1 1091 . 11 1 1 A 87 87 GLY H H 114 7.760 7.917 -0.157 1 1 1092 . 11 1 1 A 87 87 GLY HA2 H 114 4.380 4.053 0.327 1 1 1093 . 11 1 1 A 87 87 GLY HA3 H 114 4.380 4.066 0.314 1 1 1094 . 11 1 1 A 87 87 GLY C C 114 173.000 174.244 -1.244 1 1 1095 . 11 1 1 A 87 87 GLY CA C 114 44.490 45.826 -1.336 1 1 1096 . 11 1 1 A 87 87 GLY N N 114 107.740 107.238 0.502 1 1 1097 . 11 1 1 A 88 88 VAL H H 115 9.350 8.345 1.005 1 1 1098 . 11 1 1 A 88 88 VAL HA H 115 4.960 4.429 0.531 1 1 1106 . 11 1 1 A 88 88 VAL C C 115 173.100 174.716 -1.616 1 1 1107 . 11 1 1 A 88 88 VAL CA C 115 58.650 62.641 -3.991 1 1 1108 . 11 1 1 A 88 88 VAL CB C 115 35.910 32.736 3.174 1 1 1111 . 11 1 1 A 88 88 VAL N N 115 118.050 122.376 -4.326 1 1 1112 . 11 1 1 A 89 89 VAL H H 116 9.000 9.663 -0.663 1 1 1113 . 11 1 1 A 89 89 VAL HA H 116 4.550 4.896 -0.346 1 1 1121 . 11 1 1 A 89 89 VAL C C 116 174.640 174.824 -0.184 1 1 1122 . 11 1 1 A 89 89 VAL CA C 116 61.360 59.957 1.403 1 1 1123 . 11 1 1 A 89 89 VAL CB C 116 33.760 34.176 -0.416 1 1 1126 . 11 1 1 A 89 89 VAL N N 116 121.030 127.805 -6.775 1 1 1127 . 11 1 1 A 90 90 LEU H H 117 8.950 8.694 0.256 1 1 1128 . 11 1 1 A 90 90 LEU HA H 117 5.160 5.368 -0.208 1 1 1138 . 11 1 1 A 90 90 LEU C C 117 176.150 176.683 -0.533 1 1 1139 . 11 1 1 A 90 90 LEU CA C 117 52.230 54.887 -2.657 1 1 1140 . 11 1 1 A 90 90 LEU CB C 117 44.280 41.461 2.819 1 1 1144 . 11 1 1 A 90 90 LEU N N 117 125.420 129.576 -4.156 1 1 1145 . 11 1 1 A 91 91 LYS H H 118 8.280 8.511 -0.231 1 1 1146 . 11 1 1 A 91 91 LYS HA H 118 4.900 4.563 0.337 1 1 1155 . 11 1 1 A 91 91 LYS C C 118 175.300 175.374 -0.074 1 1 1156 . 11 1 1 A 91 91 LYS CA C 118 53.810 55.474 -1.664 1 1 1157 . 11 1 1 A 91 91 LYS CB C 118 36.840 36.547 0.293 1 1 1161 . 11 1 1 A 91 91 LYS N N 118 119.720 121.818 -2.098 1 1 1162 . 11 1 1 A 92 92 GLY H H 119 9.030 8.424 0.606 1 1 1163 . 11 1 1 A 92 92 GLY HA2 H 119 3.750 4.253 -0.503 1 1 1164 . 11 1 1 A 92 92 GLY HA3 H 119 3.750 4.253 -0.503 1 1 1165 . 11 1 1 A 92 92 GLY CA C 119 43.980 46.088 -2.108 1 1 1166 . 11 1 1 A 92 92 GLY N N 119 109.730 108.392 1.338 1 1 1167 . 11 1 1 A 94 94 LYS HA H 121 4.760 3.961 0.799 1 1 1168 . 11 1 1 A 95 95 ILE H H 122 7.700 7.823 -0.123 1 1 1169 . 11 1 1 A 95 95 ILE HA H 122 4.160 4.779 -0.619 1 1 1179 . 11 1 1 A 95 95 ILE CA C 122 61.270 59.325 1.945 1 1 1180 . 11 1 1 A 95 95 ILE CB C 122 37.590 41.781 -4.191 1 1 1184 . 11 1 1 A 95 95 ILE N N 122 117.400 121.289 -3.889 1 1 1185 . 11 1 1 A 98 98 THR HA H 125 5.810 4.936 0.874 1 1 1190 . 11 1 1 A 98 98 THR CA C 125 61.740 61.128 0.612 1 1 1191 . 11 1 1 A 98 98 THR CB C 125 73.450 72.933 0.517 1 1 1193 . 11 1 1 A 99 99 ILE HA H 126 4.630 4.854 -0.224 1 1 1203 . 11 1 1 A 99 99 ILE C C 126 174.430 175.375 -0.945 1 1 1204 . 11 1 1 A 99 99 ILE CA C 126 59.980 59.936 0.044 1 1 1205 . 11 1 1 A 99 99 ILE CB C 126 40.970 39.744 1.226 1 1 1209 . 11 1 1 A 100 100 LEU H H 127 9.530 8.943 0.587 1 1 1210 . 11 1 1 A 100 100 LEU HA H 127 4.420 5.129 -0.709 1 1 1220 . 11 1 1 A 100 100 LEU C C 127 174.930 175.501 -0.571 1 1 1221 . 11 1 1 A 100 100 LEU CA C 127 54.030 53.696 0.334 1 1 1222 . 11 1 1 A 100 100 LEU CB C 127 42.520 45.298 -2.778 1 1 1226 . 11 1 1 A 100 100 LEU N N 127 127.300 126.281 1.019 1 1 1227 . 11 1 1 A 101 101 ILE H H 128 8.260 9.267 -1.007 1 1 1228 . 11 1 1 A 101 101 ILE HA H 128 4.320 4.595 -0.275 1 1 1238 . 11 1 1 A 101 101 ILE C C 128 173.880 174.586 -0.706 1 1 1239 . 11 1 1 A 101 101 ILE CA C 128 60.900 60.470 0.430 1 1 1240 . 11 1 1 A 101 101 ILE CB C 128 37.410 38.580 -1.170 1 1 1244 . 11 1 1 A 101 101 ILE N N 128 119.990 123.638 -3.648 1 1 1245 . 11 1 1 A 102 102 GLU H H 129 9.580 8.796 0.784 1 1 1246 . 11 1 1 A 102 102 GLU HA H 129 5.120 5.358 -0.238 1 1 1251 . 11 1 1 A 102 102 GLU C C 129 174.240 174.735 -0.495 1 1 1252 . 11 1 1 A 102 102 GLU CA C 129 54.050 54.846 -0.796 1 1 1253 . 11 1 1 A 102 102 GLU CB C 129 33.630 33.587 0.043 1 1 1255 . 11 1 1 A 102 102 GLU N N 129 129.780 129.994 -0.214 1 1 1256 . 11 1 1 A 103 103 LYS H H 130 8.680 8.630 0.050 1 1 1257 . 11 1 1 A 103 103 LYS HA H 130 4.720 4.844 -0.124 1 1 1264 . 11 1 1 A 103 103 LYS C C 130 175.280 174.733 0.547 1 1 1265 . 11 1 1 A 103 103 LYS CA C 130 55.190 55.263 -0.073 1 1 1266 . 11 1 1 A 103 103 LYS CB C 130 36.750 35.505 1.245 1 1 1270 . 11 1 1 A 103 103 LYS N N 130 123.420 122.728 0.692 1 1 1271 . 11 1 1 A 104 104 ASP H H 131 9.530 9.334 0.196 1 1 1272 . 11 1 1 A 104 104 ASP HA H 131 4.290 4.339 -0.049 1 1 1275 . 11 1 1 A 104 104 ASP C C 131 176.090 176.265 -0.175 1 1 1276 . 11 1 1 A 104 104 ASP CA C 131 55.370 55.446 -0.076 1 1 1277 . 11 1 1 A 104 104 ASP CB C 131 39.260 39.165 0.095 1 1 1278 . 11 1 1 A 104 104 ASP N N 131 127.440 120.143 7.297 1 1 1279 . 11 1 1 A 105 105 GLY H H 132 8.970 8.571 0.399 1 1 1280 . 11 1 1 A 105 105 GLY HA2 H 132 4.090 3.826 0.264 1 1 1281 . 11 1 1 A 105 105 GLY HA3 H 132 3.550 3.826 -0.276 1 1 1282 . 11 1 1 A 105 105 GLY C C 132 173.130 173.536 -0.406 1 1 1283 . 11 1 1 A 105 105 GLY CA C 132 45.230 45.471 -0.241 1 1 1284 . 11 1 1 A 105 105 GLY N N 132 103.820 105.247 -1.427 1 1 1285 . 11 1 1 A 106 106 GLU H H 133 7.720 7.710 0.010 1 1 1286 . 11 1 1 A 106 106 GLU HA H 133 4.720 4.905 -0.185 1 1 1291 . 11 1 1 A 106 106 GLU C C 133 174.940 174.888 0.052 1 1 1292 . 11 1 1 A 106 106 GLU CA C 133 53.770 54.458 -0.688 1 1 1293 . 11 1 1 A 106 106 GLU CB C 133 32.820 33.028 -0.208 1 1 1295 . 11 1 1 A 106 106 GLU N N 133 120.200 115.751 4.449 1 1 1296 . 11 1 1 A 107 107 VAL H H 134 8.900 8.675 0.225 1 1 1297 . 11 1 1 A 107 107 VAL HA H 134 3.760 4.363 -0.603 1 1 1305 . 11 1 1 A 107 107 VAL C C 134 175.340 176.074 -0.734 1 1 1306 . 11 1 1 A 107 107 VAL CA C 134 64.230 60.529 3.701 1 1 1307 . 11 1 1 A 107 107 VAL CB C 134 31.160 33.336 -2.176 1 1 1310 . 11 1 1 A 107 107 VAL N N 134 125.990 122.974 3.016 1 1 1311 . 11 1 1 A 108 108 LYS H H 135 9.250 8.336 0.914 1 1 1312 . 11 1 1 A 108 108 LYS HA H 135 4.810 4.490 0.320 1 1 1321 . 11 1 1 A 108 108 LYS C C 135 174.390 175.741 -1.351 1 1 1322 . 11 1 1 A 108 108 LYS CA C 135 54.740 55.663 -0.923 1 1 1323 . 11 1 1 A 108 108 LYS CB C 135 34.690 33.488 1.202 1 1 1327 . 11 1 1 A 108 108 LYS N N 135 126.060 124.046 2.014 1 1 1328 . 11 1 1 A 109 109 LEU H H 136 7.690 7.083 0.607 1 1 1329 . 11 1 1 A 109 109 LEU HA H 136 4.820 5.464 -0.644 1 1 1339 . 11 1 1 A 109 109 LEU C C 136 172.450 174.339 -1.889 1 1 1340 . 11 1 1 A 109 109 LEU CA C 136 53.250 53.587 -0.337 1 1 1341 . 11 1 1 A 109 109 LEU CB C 136 47.800 45.889 1.911 1 1 1345 . 11 1 1 A 109 109 LEU N N 136 116.670 120.799 -4.129 1 1 1346 . 11 1 1 A 110 110 LYS H H 137 9.170 8.759 0.411 1 1 1347 . 11 1 1 A 110 110 LYS HA H 137 5.050 4.978 0.072 1 1 1356 . 11 1 1 A 110 110 LYS C C 137 172.760 174.804 -2.044 1 1 1357 . 11 1 1 A 110 110 LYS CA C 137 54.090 54.679 -0.589 1 1 1358 . 11 1 1 A 110 110 LYS CB C 137 36.560 37.092 -0.532 1 1 1362 . 11 1 1 A 110 110 LYS N N 137 117.050 122.829 -5.779 1 1 1363 . 11 1 1 A 111 111 LEU H H 138 9.400 9.100 0.300 1 1 1364 . 11 1 1 A 111 111 LEU HA H 138 5.250 4.954 0.296 1 1 1374 . 11 1 1 A 111 111 LEU C C 138 176.470 176.898 -0.428 1 1 1375 . 11 1 1 A 111 111 LEU CA C 138 52.230 53.965 -1.735 1 1 1376 . 11 1 1 A 111 111 LEU CB C 138 42.810 41.822 0.988 1 1 1380 . 11 1 1 A 111 111 LEU N N 138 121.800 121.699 0.101 1 1 1381 . 11 1 1 A 112 112 ILE H H 139 9.080 9.050 0.030 1 1 1382 . 11 1 1 A 112 112 ILE HA H 139 5.420 4.342 1.078 1 1 1392 . 11 1 1 A 112 112 ILE C C 139 175.710 175.138 0.572 1 1 1393 . 11 1 1 A 112 112 ILE CA C 139 59.170 63.021 -3.851 1 1 1394 . 11 1 1 A 112 112 ILE CB C 139 41.010 37.137 3.873 1 1 1398 . 11 1 1 A 112 112 ILE N N 139 120.350 120.529 -0.179 1 1 1399 . 11 1 1 A 113 113 ARG H H 140 8.550 8.608 -0.058 1 1 1400 . 11 1 1 A 113 113 ARG HA H 140 3.940 4.434 -0.494 1 1 1403 . 11 1 1 A 113 113 ARG C C 140 176.030 177.197 -1.167 1 1 1404 . 11 1 1 A 113 113 ARG CA C 140 56.180 55.657 0.523 1 1 1405 . 11 1 1 A 113 113 ARG CB C 140 30.770 29.282 1.488 1 1 1408 . 11 1 1 A 113 113 ARG N N 140 127.710 124.272 3.438 1 1 1409 . 11 1 1 A 114 114 GLY H H 141 8.530 8.627 -0.097 1 1 1410 . 11 1 1 A 114 114 GLY HA2 H 141 4.000 3.783 0.217 1 1 1411 . 11 1 1 A 114 114 GLY HA3 H 141 3.820 3.786 0.034 1 1 1412 . 11 1 1 A 114 114 GLY C C 141 172.650 175.766 -3.116 1 1 1413 . 11 1 1 A 114 114 GLY CA C 141 45.100 46.924 -1.824 1 1 1414 . 11 1 1 A 114 114 GLY N N 141 111.410 108.853 2.557 1 1 1 . 12 1 1 A 2 2 SER HA H 29 4.540 4.121 0.419 1 1 4 . 12 1 1 A 2 2 SER C C 29 174.370 173.890 0.480 1 1 5 . 12 1 1 A 2 2 SER CA C 29 58.380 59.146 -0.766 1 1 6 . 12 1 1 A 2 2 SER CB C 29 63.670 61.734 1.936 1 1 7 . 12 1 1 A 3 3 SER H H 30 8.530 7.971 0.559 1 1 8 . 12 1 1 A 3 3 SER HA H 30 4.480 5.737 -1.257 1 1 11 . 12 1 1 A 3 3 SER C C 30 174.610 173.346 1.264 1 1 12 . 12 1 1 A 3 3 SER CA C 30 58.380 56.809 1.571 1 1 13 . 12 1 1 A 3 3 SER CB C 30 63.690 64.406 -0.716 1 1 14 . 12 1 1 A 3 3 SER N N 30 117.760 112.830 4.930 1 1 15 . 12 1 1 A 4 4 ASN H H 31 8.600 9.101 -0.501 1 1 16 . 12 1 1 A 4 4 ASN HA H 31 4.710 4.885 -0.175 1 1 21 . 12 1 1 A 4 4 ASN C C 31 175.840 174.951 0.889 1 1 22 . 12 1 1 A 4 4 ASN CA C 31 53.880 54.304 -0.424 1 1 23 . 12 1 1 A 4 4 ASN CB C 31 38.520 41.047 -2.527 1 1 24 . 12 1 1 A 4 4 ASN N N 31 120.910 123.365 -2.455 1 1 26 . 12 1 1 A 5 5 SER H H 32 8.360 8.291 0.069 1 1 27 . 12 1 1 A 5 5 SER HA H 32 4.420 4.459 -0.039 1 1 30 . 12 1 1 A 5 5 SER C C 32 174.700 175.027 -0.327 1 1 31 . 12 1 1 A 5 5 SER CA C 32 59.310 59.980 -0.670 1 1 32 . 12 1 1 A 5 5 SER CB C 32 63.410 62.880 0.530 1 1 33 . 12 1 1 A 5 5 SER N N 32 115.920 115.080 0.840 1 1 34 . 12 1 1 A 6 6 GLU H H 33 8.370 8.933 -0.563 1 1 35 . 12 1 1 A 6 6 GLU HA H 33 4.530 3.962 0.568 1 1 40 . 12 1 1 A 6 6 GLU C C 33 176.390 174.709 1.681 1 1 41 . 12 1 1 A 6 6 GLU CA C 33 56.510 57.566 -1.056 1 1 42 . 12 1 1 A 6 6 GLU CB C 33 29.850 28.083 1.767 1 1 44 . 12 1 1 A 6 6 GLU N N 33 121.670 124.363 -2.693 1 1 45 . 12 1 1 A 7 7 LYS H H 34 8.120 7.876 0.244 1 1 46 . 12 1 1 A 7 7 LYS HA H 34 4.370 4.454 -0.084 1 1 55 . 12 1 1 A 7 7 LYS C C 34 176.060 175.039 1.021 1 1 56 . 12 1 1 A 7 7 LYS CA C 34 56.140 55.256 0.884 1 1 57 . 12 1 1 A 7 7 LYS CB C 34 33.200 33.751 -0.551 1 1 61 . 12 1 1 A 7 7 LYS N N 34 121.020 119.849 1.171 1 1 62 . 12 1 1 A 8 8 GLU H H 35 8.550 8.440 0.110 1 1 63 . 12 1 1 A 8 8 GLU HA H 35 4.830 4.472 0.358 1 1 68 . 12 1 1 A 8 8 GLU C C 35 175.050 175.140 -0.090 1 1 69 . 12 1 1 A 8 8 GLU CA C 35 56.390 56.177 0.213 1 1 70 . 12 1 1 A 8 8 GLU CB C 35 31.340 29.759 1.581 1 1 72 . 12 1 1 A 8 8 GLU N N 35 122.450 126.150 -3.700 1 1 73 . 12 1 1 A 9 9 TRP H H 36 9.680 8.739 0.941 1 1 74 . 12 1 1 A 9 9 TRP HA H 36 4.860 5.325 -0.465 1 1 80 . 12 1 1 A 9 9 TRP C C 36 175.390 175.651 -0.261 1 1 81 . 12 1 1 A 9 9 TRP CA C 36 55.890 55.870 0.020 1 1 82 . 12 1 1 A 9 9 TRP CB C 36 30.810 31.392 -0.582 1 1 85 . 12 1 1 A 9 9 TRP N N 36 122.800 126.048 -3.248 1 1 87 . 12 1 1 A 10 10 HIS H H 37 9.690 9.180 0.510 1 1 88 . 12 1 1 A 10 10 HIS HA H 37 4.990 5.097 -0.107 1 1 93 . 12 1 1 A 10 10 HIS C C 37 174.840 174.773 0.067 1 1 94 . 12 1 1 A 10 10 HIS CA C 37 54.720 55.682 -0.962 1 1 95 . 12 1 1 A 10 10 HIS CB C 37 29.840 30.957 -1.117 1 1 98 . 12 1 1 A 10 10 HIS N N 37 120.400 122.425 -2.025 1 1 99 . 12 1 1 A 11 11 ILE H H 38 7.740 8.647 -0.907 1 1 100 . 12 1 1 A 11 11 ILE HA H 38 4.360 4.706 -0.346 1 1 110 . 12 1 1 A 11 11 ILE C C 38 175.030 175.627 -0.597 1 1 111 . 12 1 1 A 11 11 ILE CA C 38 62.110 62.203 -0.093 1 1 112 . 12 1 1 A 11 11 ILE CB C 38 37.590 37.559 0.031 1 1 116 . 12 1 1 A 11 11 ILE N N 38 121.700 124.965 -3.265 1 1 117 . 12 1 1 A 12 12 VAL H H 39 9.370 9.470 -0.100 1 1 118 . 12 1 1 A 12 12 VAL HA H 39 4.690 4.579 0.111 1 1 126 . 12 1 1 A 12 12 VAL CA C 39 58.500 58.578 -0.078 1 1 127 . 12 1 1 A 12 12 VAL CB C 39 34.970 34.337 0.633 1 1 130 . 12 1 1 A 12 12 VAL N N 39 130.310 127.527 2.783 1 1 131 . 12 1 1 A 13 13 PRO HA H 40 4.470 4.837 -0.367 1 1 138 . 12 1 1 A 13 13 PRO C C 40 175.070 176.230 -1.160 1 1 139 . 12 1 1 A 13 13 PRO CA C 40 63.130 62.353 0.777 1 1 140 . 12 1 1 A 13 13 PRO CB C 40 33.580 32.338 1.242 1 1 143 . 12 1 1 A 14 14 VAL H H 41 7.970 8.852 -0.882 1 1 144 . 12 1 1 A 14 14 VAL HA H 41 4.170 4.145 0.025 1 1 152 . 12 1 1 A 14 14 VAL C C 41 175.360 176.058 -0.698 1 1 153 . 12 1 1 A 14 14 VAL CA C 41 63.600 63.503 0.097 1 1 154 . 12 1 1 A 14 14 VAL CB C 41 34.050 32.728 1.322 1 1 157 . 12 1 1 A 14 14 VAL N N 41 119.000 118.374 0.626 1 1 158 . 12 1 1 A 15 15 SER H H 42 8.040 7.265 0.775 1 1 159 . 12 1 1 A 15 15 SER HA H 42 4.530 4.336 0.194 1 1 162 . 12 1 1 A 15 15 SER C C 42 176.240 175.197 1.043 1 1 163 . 12 1 1 A 15 15 SER CA C 42 57.620 57.019 0.601 1 1 164 . 12 1 1 A 15 15 SER CB C 42 64.250 65.533 -1.283 1 1 165 . 12 1 1 A 15 15 SER N N 42 113.900 115.356 -1.456 1 1 166 . 12 1 1 A 16 16 LYS H H 43 8.690 8.757 -0.067 1 1 167 . 12 1 1 A 16 16 LYS HA H 43 2.830 3.579 -0.749 1 1 176 . 12 1 1 A 16 16 LYS C C 43 177.790 178.395 -0.605 1 1 177 . 12 1 1 A 16 16 LYS CA C 43 58.100 58.771 -0.671 1 1 178 . 12 1 1 A 16 16 LYS CB C 43 31.840 31.949 -0.109 1 1 182 . 12 1 1 A 16 16 LYS N N 43 124.940 119.041 5.899 1 1 183 . 12 1 1 A 17 17 ASP H H 44 8.590 7.748 0.842 1 1 184 . 12 1 1 A 17 17 ASP HA H 44 4.100 4.373 -0.273 1 1 187 . 12 1 1 A 17 17 ASP C C 44 176.670 177.050 -0.380 1 1 188 . 12 1 1 A 17 17 ASP CA C 44 55.580 56.441 -0.861 1 1 189 . 12 1 1 A 17 17 ASP CB C 44 39.300 40.976 -1.676 1 1 190 . 12 1 1 A 17 17 ASP N N 44 118.140 119.960 -1.820 1 1 191 . 12 1 1 A 18 18 TYR H H 45 7.870 7.665 0.205 1 1 192 . 12 1 1 A 18 18 TYR HA H 45 4.550 4.660 -0.110 1 1 199 . 12 1 1 A 18 18 TYR C C 45 174.860 176.623 -1.763 1 1 200 . 12 1 1 A 18 18 TYR CA C 45 58.510 57.947 0.563 1 1 201 . 12 1 1 A 18 18 TYR CB C 45 39.470 39.041 0.429 1 1 206 . 12 1 1 A 18 18 TYR N N 45 115.260 116.562 -1.302 1 1 207 . 12 1 1 A 19 19 PHE H H 46 7.430 7.876 -0.446 1 1 208 . 12 1 1 A 19 19 PHE HA H 46 4.360 4.429 -0.069 1 1 215 . 12 1 1 A 19 19 PHE C C 46 176.950 176.755 0.195 1 1 216 . 12 1 1 A 19 19 PHE CA C 46 59.340 60.891 -1.551 1 1 217 . 12 1 1 A 19 19 PHE CB C 46 37.870 38.037 -0.167 1 1 222 . 12 1 1 A 19 19 PHE N N 46 120.020 120.771 -0.751 1 1 223 . 12 1 1 A 20 20 SER H H 47 8.620 7.793 0.827 1 1 224 . 12 1 1 A 20 20 SER HA H 47 4.430 4.497 -0.067 1 1 227 . 12 1 1 A 20 20 SER C C 47 173.980 174.991 -1.011 1 1 228 . 12 1 1 A 20 20 SER CA C 47 58.660 58.879 -0.219 1 1 229 . 12 1 1 A 20 20 SER CB C 47 62.850 63.893 -1.043 1 1 230 . 12 1 1 A 20 20 SER N N 47 111.500 112.100 -0.600 1 1 231 . 12 1 1 A 21 21 ILE H H 48 7.660 7.681 -0.021 1 1 232 . 12 1 1 A 21 21 ILE HA H 48 4.110 4.205 -0.095 1 1 242 . 12 1 1 A 21 21 ILE CA C 48 59.780 60.729 -0.949 1 1 243 . 12 1 1 A 21 21 ILE CB C 48 38.330 37.951 0.379 1 1 247 . 12 1 1 A 21 21 ILE N N 48 119.380 126.397 -7.017 1 1 248 . 12 1 1 A 22 22 PRO HA H 49 4.500 4.540 -0.040 1 1 255 . 12 1 1 A 22 22 PRO C C 49 176.110 177.527 -1.417 1 1 256 . 12 1 1 A 22 22 PRO CA C 49 62.880 62.550 0.330 1 1 257 . 12 1 1 A 22 22 PRO CB C 49 32.570 33.210 -0.640 1 1 260 . 12 1 1 A 23 23 ASN H H 50 8.630 8.840 -0.210 1 1 261 . 12 1 1 A 23 23 ASN HA H 50 4.800 4.533 0.267 1 1 266 . 12 1 1 A 23 23 ASN C C 50 176.580 174.955 1.625 1 1 267 . 12 1 1 A 23 23 ASN CA C 50 53.610 56.192 -2.582 1 1 268 . 12 1 1 A 23 23 ASN CB C 50 38.490 38.957 -0.467 1 1 269 . 12 1 1 A 23 23 ASN N N 50 117.590 118.589 -0.999 1 1 271 . 12 1 1 A 24 24 ASP H H 51 8.580 7.844 0.736 1 1 272 . 12 1 1 A 24 24 ASP HA H 51 4.760 4.928 -0.168 1 1 275 . 12 1 1 A 24 24 ASP C C 51 175.090 173.948 1.142 1 1 276 . 12 1 1 A 24 24 ASP CA C 51 52.500 54.149 -1.649 1 1 277 . 12 1 1 A 24 24 ASP CB C 51 39.840 43.745 -3.905 1 1 278 . 12 1 1 A 24 24 ASP N N 51 120.490 117.755 2.735 1 1 279 . 12 1 1 A 25 25 LEU H H 52 8.400 9.000 -0.600 1 1 280 . 12 1 1 A 25 25 LEU HA H 52 4.390 5.037 -0.647 1 1 290 . 12 1 1 A 25 25 LEU C C 52 176.340 175.569 0.771 1 1 291 . 12 1 1 A 25 25 LEU CA C 52 55.460 53.802 1.658 1 1 292 . 12 1 1 A 25 25 LEU CB C 52 43.270 43.789 -0.519 1 1 296 . 12 1 1 A 25 25 LEU N N 52 119.530 127.266 -7.736 1 1 297 . 12 1 1 A 26 26 LEU H H 53 8.840 9.257 -0.417 1 1 298 . 12 1 1 A 26 26 LEU HA H 53 5.140 4.848 0.292 1 1 308 . 12 1 1 A 26 26 LEU C C 53 174.620 175.285 -0.665 1 1 309 . 12 1 1 A 26 26 LEU CA C 53 52.840 53.240 -0.400 1 1 310 . 12 1 1 A 26 26 LEU CB C 53 44.070 42.208 1.862 1 1 314 . 12 1 1 A 26 26 LEU N N 53 126.610 124.398 2.212 1 1 315 . 12 1 1 A 27 27 TRP H H 54 9.230 9.558 -0.328 1 1 316 . 12 1 1 A 27 27 TRP HA H 54 5.570 5.128 0.442 1 1 325 . 12 1 1 A 27 27 TRP C C 54 175.740 175.088 0.652 1 1 326 . 12 1 1 A 27 27 TRP CA C 54 54.510 55.858 -1.348 1 1 327 . 12 1 1 A 27 27 TRP CB C 54 31.710 32.566 -0.856 1 1 333 . 12 1 1 A 27 27 TRP N N 54 122.650 128.009 -5.359 1 1 335 . 12 1 1 A 28 28 SER H H 55 9.240 8.981 0.259 1 1 336 . 12 1 1 A 28 28 SER HA H 55 5.490 5.663 -0.173 1 1 339 . 12 1 1 A 28 28 SER C C 55 173.440 173.667 -0.227 1 1 340 . 12 1 1 A 28 28 SER CA C 55 56.990 57.719 -0.729 1 1 341 . 12 1 1 A 28 28 SER CB C 55 66.150 65.662 0.488 1 1 342 . 12 1 1 A 28 28 SER N N 55 121.970 124.248 -2.278 1 1 343 . 12 1 1 A 29 29 PHE H H 56 9.590 9.704 -0.114 1 1 344 . 12 1 1 A 29 29 PHE HA H 56 5.150 5.029 0.121 1 1 352 . 12 1 1 A 29 29 PHE C C 56 175.810 175.495 0.315 1 1 353 . 12 1 1 A 29 29 PHE CA C 56 57.180 59.262 -2.082 1 1 354 . 12 1 1 A 29 29 PHE CB C 56 42.370 39.260 3.110 1 1 360 . 12 1 1 A 29 29 PHE N N 56 121.420 126.523 -5.103 1 1 361 . 12 1 1 A 30 30 ASN H H 57 9.400 9.404 -0.004 1 1 362 . 12 1 1 A 30 30 ASN HA H 57 5.220 5.093 0.127 1 1 367 . 12 1 1 A 30 30 ASN C C 57 176.540 176.193 0.347 1 1 368 . 12 1 1 A 30 30 ASN CA C 57 52.320 52.743 -0.423 1 1 369 . 12 1 1 A 30 30 ASN CB C 57 38.520 38.020 0.500 1 1 370 . 12 1 1 A 30 30 ASN N N 57 120.660 124.046 -3.386 1 1 372 . 12 1 1 A 31 31 THR H H 58 9.180 8.216 0.964 1 1 373 . 12 1 1 A 31 31 THR HA H 58 4.800 4.719 0.081 1 1 378 . 12 1 1 A 31 31 THR C C 58 176.950 175.440 1.510 1 1 379 . 12 1 1 A 31 31 THR CA C 58 63.430 63.110 0.320 1 1 380 . 12 1 1 A 31 31 THR CB C 58 68.110 69.402 -1.292 1 1 382 . 12 1 1 A 31 31 THR N N 58 114.630 116.507 -1.877 1 1 383 . 12 1 1 A 32 32 THR H H 59 8.450 8.021 0.429 1 1 384 . 12 1 1 A 32 32 THR HA H 59 4.130 4.281 -0.151 1 1 389 . 12 1 1 A 32 32 THR C C 59 175.130 176.135 -1.005 1 1 390 . 12 1 1 A 32 32 THR CA C 59 65.550 64.402 1.148 1 1 391 . 12 1 1 A 32 32 THR CB C 59 68.200 69.436 -1.236 1 1 393 . 12 1 1 A 32 32 THR N N 59 120.020 116.413 3.607 1 1 394 . 12 1 1 A 33 33 ASN H H 60 7.500 7.886 -0.386 1 1 395 . 12 1 1 A 33 33 ASN HA H 60 4.690 4.772 -0.082 1 1 400 . 12 1 1 A 33 33 ASN C C 60 174.230 174.838 -0.608 1 1 401 . 12 1 1 A 33 33 ASN CA C 60 51.650 51.927 -0.277 1 1 402 . 12 1 1 A 33 33 ASN CB C 60 37.870 37.847 0.023 1 1 403 . 12 1 1 A 33 33 ASN N N 60 117.490 114.056 3.434 1 1 405 . 12 1 1 A 34 34 LYS H H 61 7.580 8.009 -0.429 1 1 406 . 12 1 1 A 34 34 LYS HA H 61 3.500 4.442 -0.942 1 1 415 . 12 1 1 A 34 34 LYS C C 61 172.880 174.866 -1.986 1 1 416 . 12 1 1 A 34 34 LYS CA C 61 57.160 57.088 0.072 1 1 417 . 12 1 1 A 34 34 LYS CB C 61 28.540 30.522 -1.982 1 1 421 . 12 1 1 A 34 34 LYS N N 61 118.030 115.655 2.375 1 1 422 . 12 1 1 A 35 35 SER H H 62 8.560 8.830 -0.270 1 1 423 . 12 1 1 A 35 35 SER HA H 62 5.670 5.347 0.323 1 1 426 . 12 1 1 A 35 35 SER C C 62 173.510 172.849 0.661 1 1 427 . 12 1 1 A 35 35 SER CA C 62 56.110 57.219 -1.109 1 1 428 . 12 1 1 A 35 35 SER CB C 62 67.800 64.466 3.334 1 1 429 . 12 1 1 A 35 35 SER N N 62 109.720 115.271 -5.551 1 1 430 . 12 1 1 A 36 36 ILE H H 63 8.750 9.835 -1.085 1 1 431 . 12 1 1 A 36 36 ILE HA H 63 4.940 4.803 0.137 1 1 441 . 12 1 1 A 36 36 ILE C C 63 174.660 174.604 0.056 1 1 442 . 12 1 1 A 36 36 ILE CA C 63 58.180 60.342 -2.162 1 1 443 . 12 1 1 A 36 36 ILE CB C 63 40.660 38.527 2.133 1 1 447 . 12 1 1 A 36 36 ILE N N 63 117.490 124.472 -6.982 1 1 448 . 12 1 1 A 37 37 ASN H H 64 8.400 9.000 -0.600 1 1 449 . 12 1 1 A 37 37 ASN HA H 64 5.650 5.816 -0.166 1 1 454 . 12 1 1 A 37 37 ASN C C 64 173.490 174.047 -0.557 1 1 455 . 12 1 1 A 37 37 ASN CA C 64 51.670 52.458 -0.788 1 1 456 . 12 1 1 A 37 37 ASN CB C 64 41.900 39.156 2.744 1 1 457 . 12 1 1 A 37 37 ASN N N 64 122.180 126.100 -3.920 1 1 459 . 12 1 1 A 38 38 VAL H H 65 8.900 8.980 -0.080 1 1 460 . 12 1 1 A 38 38 VAL HA H 65 5.540 4.631 0.909 1 1 468 . 12 1 1 A 38 38 VAL C C 65 174.590 175.148 -0.558 1 1 469 . 12 1 1 A 38 38 VAL CA C 65 60.060 61.236 -1.176 1 1 470 . 12 1 1 A 38 38 VAL CB C 65 34.870 32.689 2.181 1 1 473 . 12 1 1 A 38 38 VAL N N 65 122.060 125.567 -3.507 1 1 474 . 12 1 1 A 39 39 TYR H H 66 8.910 9.083 -0.173 1 1 475 . 12 1 1 A 39 39 TYR HA H 66 5.490 5.973 -0.483 1 1 482 . 12 1 1 A 39 39 TYR C C 66 172.810 173.421 -0.611 1 1 483 . 12 1 1 A 39 39 TYR CA C 66 56.220 55.524 0.696 1 1 484 . 12 1 1 A 39 39 TYR CB C 66 40.620 42.395 -1.775 1 1 489 . 12 1 1 A 39 39 TYR N N 66 123.530 124.369 -0.839 1 1 490 . 12 1 1 A 40 40 SER H H 67 8.970 9.204 -0.234 1 1 491 . 12 1 1 A 40 40 SER HA H 67 4.780 4.905 -0.125 1 1 495 . 12 1 1 A 40 40 SER C C 67 174.360 174.871 -0.511 1 1 496 . 12 1 1 A 40 40 SER CA C 67 56.580 56.961 -0.381 1 1 497 . 12 1 1 A 40 40 SER CB C 67 66.290 65.520 0.770 1 1 498 . 12 1 1 A 40 40 SER N N 67 115.210 114.920 0.290 1 1 499 . 12 1 1 A 41 41 LYS H H 68 9.020 8.871 0.149 1 1 500 . 12 1 1 A 41 41 LYS HA H 68 4.210 3.916 0.294 1 1 509 . 12 1 1 A 41 41 LYS C C 68 177.730 177.499 0.231 1 1 510 . 12 1 1 A 41 41 LYS CA C 68 59.240 59.770 -0.530 1 1 511 . 12 1 1 A 41 41 LYS CB C 68 31.660 31.797 -0.137 1 1 515 . 12 1 1 A 41 41 LYS N N 68 118.790 118.467 0.323 1 1 516 . 12 1 1 A 42 42 CYS H H 69 8.090 7.256 0.834 1 1 517 . 12 1 1 A 42 42 CYS HA H 69 4.750 4.676 0.074 1 1 520 . 12 1 1 A 42 42 CYS C C 69 173.260 173.990 -0.730 1 1 521 . 12 1 1 A 42 42 CYS CA C 69 52.780 57.289 -4.509 1 1 522 . 12 1 1 A 42 42 CYS CB C 69 39.470 44.316 -4.846 1 1 523 . 12 1 1 A 42 42 CYS N N 69 113.650 114.713 -1.063 1 1 524 . 12 1 1 A 43 43 ILE H H 70 7.550 7.534 0.016 1 1 525 . 12 1 1 A 43 43 ILE HA H 70 5.210 4.798 0.412 1 1 535 . 12 1 1 A 43 43 ILE C C 70 171.870 175.116 -3.246 1 1 536 . 12 1 1 A 43 43 ILE CA C 70 59.800 61.799 -1.999 1 1 537 . 12 1 1 A 43 43 ILE CB C 70 42.550 39.003 3.547 1 1 541 . 12 1 1 A 43 43 ILE N N 70 118.580 121.051 -2.471 1 1 542 . 12 1 1 A 44 44 SER H H 71 8.190 8.814 -0.624 1 1 543 . 12 1 1 A 44 44 SER HA H 71 5.190 5.580 -0.390 1 1 546 . 12 1 1 A 44 44 SER C C 71 173.790 173.491 0.299 1 1 547 . 12 1 1 A 44 44 SER CA C 71 56.980 57.951 -0.971 1 1 548 . 12 1 1 A 44 44 SER CB C 71 64.910 65.675 -0.765 1 1 549 . 12 1 1 A 44 44 SER N N 71 117.640 124.258 -6.618 1 1 550 . 12 1 1 A 45 45 GLY H H 72 9.720 9.527 0.193 1 1 551 . 12 1 1 A 45 45 GLY HA2 H 72 5.280 4.404 0.876 1 1 552 . 12 1 1 A 45 45 GLY HA3 H 72 3.460 4.416 -0.956 1 1 553 . 12 1 1 A 45 45 GLY C C 72 171.300 172.266 -0.966 1 1 554 . 12 1 1 A 45 45 GLY CA C 72 45.230 44.422 0.808 1 1 555 . 12 1 1 A 45 45 GLY N N 72 114.160 113.507 0.653 1 1 556 . 12 1 1 A 46 46 LYS H H 73 8.340 8.521 -0.181 1 1 557 . 12 1 1 A 46 46 LYS HA H 73 5.530 5.310 0.220 1 1 566 . 12 1 1 A 46 46 LYS C C 73 174.510 174.520 -0.010 1 1 567 . 12 1 1 A 46 46 LYS CA C 73 54.930 55.034 -0.104 1 1 568 . 12 1 1 A 46 46 LYS CB C 73 36.420 35.179 1.241 1 1 572 . 12 1 1 A 46 46 LYS N N 73 123.520 123.095 0.425 1 1 573 . 12 1 1 A 47 47 ALA H H 74 8.440 8.467 -0.027 1 1 574 . 12 1 1 A 47 47 ALA HA H 74 4.400 4.900 -0.500 1 1 578 . 12 1 1 A 47 47 ALA C C 74 175.850 175.512 0.338 1 1 579 . 12 1 1 A 47 47 ALA CA C 74 49.860 51.312 -1.452 1 1 580 . 12 1 1 A 47 47 ALA CB C 74 20.750 21.854 -1.104 1 1 581 . 12 1 1 A 47 47 ALA N N 74 125.710 125.414 0.296 1 1 582 . 12 1 1 A 48 48 VAL H H 75 7.840 8.085 -0.245 1 1 583 . 12 1 1 A 48 48 VAL HA H 75 4.640 4.195 0.445 1 1 591 . 12 1 1 A 48 48 VAL C C 75 176.660 175.409 1.251 1 1 592 . 12 1 1 A 48 48 VAL CA C 75 61.160 61.960 -0.800 1 1 593 . 12 1 1 A 48 48 VAL CB C 75 32.180 31.503 0.677 1 1 596 . 12 1 1 A 48 48 VAL N N 75 120.660 122.882 -2.222 1 1 597 . 12 1 1 A 49 49 TYR H H 76 8.340 8.443 -0.103 1 1 598 . 12 1 1 A 49 49 TYR HA H 76 5.230 5.587 -0.357 1 1 605 . 12 1 1 A 49 49 TYR C C 76 173.480 174.679 -1.199 1 1 606 . 12 1 1 A 49 49 TYR CA C 76 54.940 55.233 -0.293 1 1 607 . 12 1 1 A 49 49 TYR CB C 76 42.030 41.516 0.514 1 1 612 . 12 1 1 A 49 49 TYR N N 76 126.510 125.952 0.558 1 1 613 . 12 1 1 A 50 50 SER H H 77 8.360 8.288 0.072 1 1 614 . 12 1 1 A 50 50 SER HA H 77 4.560 5.214 -0.654 1 1 617 . 12 1 1 A 50 50 SER C C 77 171.180 172.907 -1.727 1 1 618 . 12 1 1 A 50 50 SER CA C 77 56.890 57.368 -0.478 1 1 619 . 12 1 1 A 50 50 SER CB C 77 65.650 66.243 -0.593 1 1 620 . 12 1 1 A 50 50 SER N N 77 111.300 116.287 -4.987 1 1 621 . 12 1 1 A 51 51 PHE H H 78 8.660 8.842 -0.182 1 1 622 . 12 1 1 A 51 51 PHE HA H 78 5.860 5.813 0.047 1 1 630 . 12 1 1 A 51 51 PHE C C 78 176.800 174.638 2.162 1 1 631 . 12 1 1 A 51 51 PHE CA C 78 56.090 56.347 -0.257 1 1 632 . 12 1 1 A 51 51 PHE CB C 78 42.280 42.023 0.257 1 1 638 . 12 1 1 A 51 51 PHE N N 78 116.710 121.915 -5.205 1 1 639 . 12 1 1 A 52 52 ASN H H 79 9.190 8.999 0.191 1 1 640 . 12 1 1 A 52 52 ASN HA H 79 4.900 5.094 -0.194 1 1 645 . 12 1 1 A 52 52 ASN C C 79 174.870 174.323 0.547 1 1 646 . 12 1 1 A 52 52 ASN CA C 79 53.300 52.974 0.326 1 1 647 . 12 1 1 A 52 52 ASN CB C 79 41.350 41.004 0.346 1 1 648 . 12 1 1 A 52 52 ASN N N 79 119.620 120.408 -0.788 1 1 650 . 12 1 1 A 53 53 ALA H H 80 9.650 9.264 0.386 1 1 651 . 12 1 1 A 53 53 ALA HA H 80 4.110 4.105 0.005 1 1 655 . 12 1 1 A 53 53 ALA C C 80 176.800 177.137 -0.337 1 1 656 . 12 1 1 A 53 53 ALA CA C 80 52.860 53.404 -0.544 1 1 657 . 12 1 1 A 53 53 ALA CB C 80 16.760 17.960 -1.200 1 1 658 . 12 1 1 A 53 53 ALA N N 80 131.210 129.980 1.230 1 1 659 . 12 1 1 A 54 54 GLY H H 81 8.850 8.592 0.258 1 1 660 . 12 1 1 A 54 54 GLY HA2 H 81 4.320 3.911 0.409 1 1 661 . 12 1 1 A 54 54 GLY HA3 H 81 4.220 3.945 0.275 1 1 662 . 12 1 1 A 54 54 GLY C C 81 173.950 174.109 -0.159 1 1 663 . 12 1 1 A 54 54 GLY CA C 81 45.320 45.461 -0.141 1 1 664 . 12 1 1 A 54 54 GLY N N 81 104.570 102.550 2.020 1 1 665 . 12 1 1 A 55 55 LYS H H 82 8.030 7.692 0.338 1 1 666 . 12 1 1 A 55 55 LYS HA H 82 4.910 4.419 0.491 1 1 675 . 12 1 1 A 55 55 LYS C C 82 174.120 175.663 -1.543 1 1 676 . 12 1 1 A 55 55 LYS CA C 82 54.350 56.181 -1.831 1 1 677 . 12 1 1 A 55 55 LYS CB C 82 34.010 32.671 1.339 1 1 681 . 12 1 1 A 55 55 LYS N N 82 120.230 120.569 -0.339 1 1 682 . 12 1 1 A 56 56 PHE H H 83 9.390 9.142 0.248 1 1 683 . 12 1 1 A 56 56 PHE HA H 83 4.250 4.683 -0.433 1 1 691 . 12 1 1 A 56 56 PHE C C 83 173.870 174.122 -0.252 1 1 692 . 12 1 1 A 56 56 PHE CA C 83 56.630 56.074 0.556 1 1 693 . 12 1 1 A 56 56 PHE CB C 83 40.940 41.069 -0.129 1 1 699 . 12 1 1 A 56 56 PHE N N 83 125.150 125.308 -0.158 1 1 700 . 12 1 1 A 57 57 MET H H 84 8.270 8.734 -0.464 1 1 701 . 12 1 1 A 57 57 MET HA H 84 5.140 6.021 -0.881 1 1 709 . 12 1 1 A 57 57 MET C C 84 174.090 175.116 -1.026 1 1 710 . 12 1 1 A 57 57 MET CA C 84 53.600 53.817 -0.217 1 1 711 . 12 1 1 A 57 57 MET CB C 84 36.190 36.829 -0.639 1 1 714 . 12 1 1 A 57 57 MET N N 84 124.270 125.260 -0.990 1 1 715 . 12 1 1 A 58 58 GLY H H 85 7.420 8.175 -0.755 1 1 716 . 12 1 1 A 58 58 GLY HA2 H 85 3.900 3.798 0.102 1 1 717 . 12 1 1 A 58 58 GLY HA3 H 85 2.790 3.935 -1.145 1 1 718 . 12 1 1 A 58 58 GLY C C 85 169.900 171.945 -2.045 1 1 719 . 12 1 1 A 58 58 GLY CA C 85 45.620 45.451 0.169 1 1 720 . 12 1 1 A 58 58 GLY N N 85 103.440 107.760 -4.320 1 1 721 . 12 1 1 A 59 59 ASN H H 86 8.410 8.494 -0.084 1 1 722 . 12 1 1 A 59 59 ASN HA H 86 4.890 5.026 -0.136 1 1 727 . 12 1 1 A 59 59 ASN C C 86 174.650 174.428 0.222 1 1 728 . 12 1 1 A 59 59 ASN CA C 86 51.110 52.814 -1.704 1 1 729 . 12 1 1 A 59 59 ASN CB C 86 38.140 39.388 -1.248 1 1 730 . 12 1 1 A 59 59 ASN N N 86 122.270 122.069 0.201 1 1 732 . 12 1 1 A 60 60 PHE H H 87 8.870 8.934 -0.064 1 1 733 . 12 1 1 A 60 60 PHE HA H 87 4.120 4.923 -0.803 1 1 741 . 12 1 1 A 60 60 PHE C C 87 175.620 174.822 0.798 1 1 742 . 12 1 1 A 60 60 PHE CA C 87 58.850 56.897 1.953 1 1 743 . 12 1 1 A 60 60 PHE CB C 87 39.910 40.723 -0.813 1 1 749 . 12 1 1 A 60 60 PHE N N 87 123.420 126.042 -2.622 1 1 750 . 12 1 1 A 61 61 ASN H H 88 8.610 9.284 -0.674 1 1 751 . 12 1 1 A 61 61 ASN HA H 88 4.900 5.171 -0.271 1 1 756 . 12 1 1 A 61 61 ASN C C 88 175.090 173.822 1.268 1 1 757 . 12 1 1 A 61 61 ASN CA C 88 52.690 51.900 0.790 1 1 758 . 12 1 1 A 61 61 ASN CB C 88 39.830 39.286 0.544 1 1 759 . 12 1 1 A 61 61 ASN N N 88 121.520 121.104 0.416 1 1 761 . 12 1 1 A 62 62 VAL H H 89 8.890 8.668 0.222 1 1 762 . 12 1 1 A 62 62 VAL HA H 89 4.820 4.667 0.153 1 1 770 . 12 1 1 A 62 62 VAL C C 89 174.650 175.817 -1.167 1 1 771 . 12 1 1 A 62 62 VAL CA C 89 60.870 61.102 -0.232 1 1 772 . 12 1 1 A 62 62 VAL CB C 89 34.690 34.096 0.594 1 1 775 . 12 1 1 A 62 62 VAL N N 89 123.750 125.023 -1.273 1 1 776 . 12 1 1 A 63 63 LYS H H 90 8.750 9.022 -0.272 1 1 777 . 12 1 1 A 63 63 LYS HA H 90 4.670 5.019 -0.349 1 1 786 . 12 1 1 A 63 63 LYS C C 90 174.990 175.124 -0.134 1 1 787 . 12 1 1 A 63 63 LYS CA C 90 55.010 55.379 -0.369 1 1 788 . 12 1 1 A 63 63 LYS CB C 90 34.030 34.375 -0.345 1 1 792 . 12 1 1 A 63 63 LYS N N 90 126.210 123.347 2.863 1 1 793 . 12 1 1 A 64 64 GLU H H 91 9.170 8.659 0.511 1 1 794 . 12 1 1 A 64 64 GLU HA H 91 5.020 4.966 0.054 1 1 799 . 12 1 1 A 64 64 GLU C C 91 175.680 174.864 0.816 1 1 800 . 12 1 1 A 64 64 GLU CA C 91 54.400 55.602 -1.202 1 1 801 . 12 1 1 A 64 64 GLU CB C 91 32.690 34.114 -1.424 1 1 803 . 12 1 1 A 64 64 GLU N N 91 128.500 121.220 7.280 1 1 804 . 12 1 1 A 65 65 VAL H H 92 8.330 9.207 -0.877 1 1 805 . 12 1 1 A 65 65 VAL HA H 92 3.880 5.117 -1.237 1 1 813 . 12 1 1 A 65 65 VAL C C 92 175.940 173.384 2.556 1 1 814 . 12 1 1 A 65 65 VAL CA C 92 62.290 59.603 2.687 1 1 815 . 12 1 1 A 65 65 VAL CB C 92 32.080 35.070 -2.990 1 1 818 . 12 1 1 A 65 65 VAL N N 92 126.870 119.645 7.225 1 1 819 . 12 1 1 A 66 66 ASP H H 93 8.810 8.849 -0.039 1 1 820 . 12 1 1 A 66 66 ASP HA H 93 4.440 5.344 -0.904 1 1 823 . 12 1 1 A 66 66 ASP C C 93 177.330 176.726 0.604 1 1 824 . 12 1 1 A 66 66 ASP CA C 93 55.950 52.474 3.476 1 1 825 . 12 1 1 A 66 66 ASP CB C 93 40.760 43.683 -2.923 1 1 826 . 12 1 1 A 66 66 ASP N N 93 130.720 123.691 7.029 1 1 827 . 12 1 1 A 67 67 GLY H H 94 8.910 8.880 0.030 1 1 828 . 12 1 1 A 67 67 GLY HA2 H 94 4.020 3.905 0.115 1 1 829 . 12 1 1 A 67 67 GLY HA3 H 94 3.820 3.918 -0.098 1 1 830 . 12 1 1 A 67 67 GLY C C 94 173.530 174.824 -1.294 1 1 831 . 12 1 1 A 67 67 GLY CA C 94 45.830 45.041 0.789 1 1 832 . 12 1 1 A 67 67 GLY N N 94 112.760 113.064 -0.304 1 1 833 . 12 1 1 A 68 68 CYS H H 95 7.540 7.999 -0.459 1 1 834 . 12 1 1 A 68 68 CYS HA H 95 4.260 4.070 0.190 1 1 837 . 12 1 1 A 68 68 CYS C C 95 175.640 175.135 0.505 1 1 838 . 12 1 1 A 68 68 CYS CA C 95 58.280 59.189 -0.909 1 1 839 . 12 1 1 A 68 68 CYS CB C 95 38.240 41.691 -3.451 1 1 840 . 12 1 1 A 68 68 CYS N N 95 119.700 119.734 -0.034 1 1 841 . 12 1 1 A 69 69 PHE H H 96 8.850 7.627 1.223 1 1 842 . 12 1 1 A 69 69 PHE HA H 96 5.010 4.616 0.394 1 1 850 . 12 1 1 A 69 69 PHE C C 96 177.330 175.309 2.021 1 1 851 . 12 1 1 A 69 69 PHE CA C 96 56.460 57.534 -1.074 1 1 852 . 12 1 1 A 69 69 PHE CB C 96 40.020 38.868 1.152 1 1 858 . 12 1 1 A 69 69 PHE N N 96 117.790 117.380 0.410 1 1 859 . 12 1 1 A 70 70 MET H H 97 8.710 8.026 0.684 1 1 860 . 12 1 1 A 70 70 MET HA H 97 4.700 4.160 0.540 1 1 868 . 12 1 1 A 70 70 MET C C 97 177.650 176.021 1.629 1 1 869 . 12 1 1 A 70 70 MET CA C 97 54.570 57.600 -3.030 1 1 870 . 12 1 1 A 70 70 MET CB C 97 33.990 31.410 2.580 1 1 873 . 12 1 1 A 70 70 MET N N 97 119.890 116.395 3.495 1 1 874 . 12 1 1 A 71 71 ASP H H 98 8.980 8.642 0.338 1 1 875 . 12 1 1 A 71 71 ASP HA H 98 4.280 4.870 -0.590 1 1 878 . 12 1 1 A 71 71 ASP C C 98 177.920 177.236 0.684 1 1 879 . 12 1 1 A 71 71 ASP CA C 98 58.380 55.371 3.009 1 1 880 . 12 1 1 A 71 71 ASP CB C 98 40.100 42.914 -2.814 1 1 881 . 12 1 1 A 71 71 ASP N N 98 123.440 124.851 -1.411 1 1 882 . 12 1 1 A 72 72 ALA H H 99 8.950 8.037 0.913 1 1 883 . 12 1 1 A 72 72 ALA HA H 99 4.030 4.101 -0.071 1 1 887 . 12 1 1 A 72 72 ALA C C 99 180.740 179.368 1.372 1 1 888 . 12 1 1 A 72 72 ALA CA C 99 55.020 54.360 0.660 1 1 889 . 12 1 1 A 72 72 ALA CB C 99 18.280 18.505 -0.225 1 1 890 . 12 1 1 A 72 72 ALA N N 99 119.200 122.641 -3.441 1 1 891 . 12 1 1 A 73 73 GLN H H 100 7.120 7.758 -0.638 1 1 892 . 12 1 1 A 73 73 GLN HA H 100 4.020 4.600 -0.580 1 1 899 . 12 1 1 A 73 73 GLN C C 100 176.880 178.340 -1.460 1 1 900 . 12 1 1 A 73 73 GLN CA C 100 57.720 58.696 -0.976 1 1 901 . 12 1 1 A 73 73 GLN CB C 100 28.940 28.357 0.583 1 1 903 . 12 1 1 A 73 73 GLN N N 100 115.380 117.914 -2.534 1 1 905 . 12 1 1 A 74 74 LYS H H 101 7.760 7.850 -0.090 1 1 906 . 12 1 1 A 74 74 LYS HA H 101 3.510 4.002 -0.492 1 1 915 . 12 1 1 A 74 74 LYS C C 101 177.610 178.550 -0.940 1 1 916 . 12 1 1 A 74 74 LYS CA C 101 58.500 59.010 -0.510 1 1 917 . 12 1 1 A 74 74 LYS CB C 101 31.790 32.312 -0.522 1 1 921 . 12 1 1 A 74 74 LYS N N 101 119.560 121.332 -1.772 1 1 922 . 12 1 1 A 75 75 ILE H H 102 7.760 8.059 -0.299 1 1 923 . 12 1 1 A 75 75 ILE HA H 102 3.750 3.578 0.172 1 1 933 . 12 1 1 A 75 75 ILE C C 102 178.530 177.568 0.962 1 1 934 . 12 1 1 A 75 75 ILE CA C 102 64.200 65.455 -1.255 1 1 935 . 12 1 1 A 75 75 ILE CB C 102 38.170 37.599 0.571 1 1 939 . 12 1 1 A 75 75 ILE N N 102 117.490 119.904 -2.414 1 1 940 . 12 1 1 A 76 76 ALA H H 103 7.090 8.587 -1.497 1 1 941 . 12 1 1 A 76 76 ALA HA H 103 3.990 3.683 0.307 1 1 945 . 12 1 1 A 76 76 ALA C C 103 178.650 180.419 -1.769 1 1 946 . 12 1 1 A 76 76 ALA CA C 103 55.020 55.142 -0.122 1 1 947 . 12 1 1 A 76 76 ALA CB C 103 18.570 18.164 0.406 1 1 948 . 12 1 1 A 76 76 ALA N N 103 121.190 121.842 -0.652 1 1 949 . 12 1 1 A 77 77 ILE H H 104 8.150 7.573 0.577 1 1 950 . 12 1 1 A 77 77 ILE HA H 104 3.420 3.429 -0.009 1 1 960 . 12 1 1 A 77 77 ILE C C 104 176.670 177.141 -0.471 1 1 961 . 12 1 1 A 77 77 ILE CA C 104 63.130 64.474 -1.344 1 1 962 . 12 1 1 A 77 77 ILE CB C 104 36.680 36.389 0.291 1 1 966 . 12 1 1 A 77 77 ILE N N 104 119.240 118.430 0.810 1 1 967 . 12 1 1 A 78 78 ASP H H 105 8.290 8.544 -0.254 1 1 968 . 12 1 1 A 78 78 ASP HA H 105 4.440 4.181 0.259 1 1 971 . 12 1 1 A 78 78 ASP C C 105 180.350 178.465 1.885 1 1 972 . 12 1 1 A 78 78 ASP CA C 105 57.440 57.809 -0.369 1 1 973 . 12 1 1 A 78 78 ASP CB C 105 39.430 41.467 -2.037 1 1 974 . 12 1 1 A 78 78 ASP N N 105 121.080 121.746 -0.666 1 1 975 . 12 1 1 A 79 79 LYS H H 106 7.960 7.905 0.055 1 1 976 . 12 1 1 A 79 79 LYS HA H 106 4.010 3.964 0.046 1 1 985 . 12 1 1 A 79 79 LYS C C 106 178.580 178.992 -0.412 1 1 986 . 12 1 1 A 79 79 LYS CA C 106 59.780 59.165 0.615 1 1 987 . 12 1 1 A 79 79 LYS CB C 106 31.800 32.061 -0.261 1 1 991 . 12 1 1 A 79 79 LYS N N 106 121.340 118.683 2.657 1 1 992 . 12 1 1 A 80 80 LEU H H 107 8.230 7.942 0.288 1 1 993 . 12 1 1 A 80 80 LEU HA H 107 3.990 4.275 -0.285 1 1 1003 . 12 1 1 A 80 80 LEU C C 107 178.230 178.281 -0.051 1 1 1004 . 12 1 1 A 80 80 LEU CA C 107 58.570 58.123 0.447 1 1 1005 . 12 1 1 A 80 80 LEU CB C 107 41.110 41.541 -0.431 1 1 1009 . 12 1 1 A 80 80 LEU N N 107 123.530 121.253 2.277 1 1 1010 . 12 1 1 A 81 81 PHE H H 108 8.050 8.469 -0.419 1 1 1011 . 12 1 1 A 81 81 PHE HA H 108 4.350 3.797 0.553 1 1 1019 . 12 1 1 A 81 81 PHE C C 108 179.570 178.873 0.697 1 1 1020 . 12 1 1 A 81 81 PHE CA C 108 61.070 60.632 0.438 1 1 1021 . 12 1 1 A 81 81 PHE CB C 108 37.010 38.084 -1.074 1 1 1027 . 12 1 1 A 81 81 PHE N N 108 116.720 117.824 -1.104 1 1 1028 . 12 1 1 A 82 82 SER H H 109 8.410 8.518 -0.108 1 1 1029 . 12 1 1 A 82 82 SER HA H 109 4.360 4.319 0.041 1 1 1032 . 12 1 1 A 82 82 SER C C 109 176.200 177.581 -1.381 1 1 1033 . 12 1 1 A 82 82 SER CA C 109 61.830 61.441 0.389 1 1 1034 . 12 1 1 A 82 82 SER CB C 109 62.570 62.641 -0.071 1 1 1035 . 12 1 1 A 82 82 SER N N 109 118.120 116.262 1.858 1 1 1036 . 12 1 1 A 83 83 MET H H 110 8.420 8.169 0.251 1 1 1037 . 12 1 1 A 83 83 MET HA H 110 4.210 4.154 0.056 1 1 1043 . 12 1 1 A 83 83 MET C C 110 178.260 178.723 -0.463 1 1 1044 . 12 1 1 A 83 83 MET CA C 110 59.170 58.981 0.189 1 1 1045 . 12 1 1 A 83 83 MET CB C 110 31.240 32.715 -1.475 1 1 1047 . 12 1 1 A 83 83 MET N N 110 123.040 120.471 2.569 1 1 1048 . 12 1 1 A 84 84 LEU H H 111 8.080 8.124 -0.044 1 1 1049 . 12 1 1 A 84 84 LEU HA H 111 4.140 3.991 0.149 1 1 1059 . 12 1 1 A 84 84 LEU C C 111 178.030 178.774 -0.744 1 1 1060 . 12 1 1 A 84 84 LEU CA C 111 57.390 58.187 -0.797 1 1 1061 . 12 1 1 A 84 84 LEU CB C 111 41.430 41.648 -0.218 1 1 1065 . 12 1 1 A 84 84 LEU N N 111 117.910 119.812 -1.902 1 1 1066 . 12 1 1 A 85 85 LYS H H 112 7.640 7.677 -0.037 1 1 1067 . 12 1 1 A 85 85 LYS HA H 112 4.110 4.175 -0.065 1 1 1076 . 12 1 1 A 85 85 LYS C C 112 177.650 178.001 -0.351 1 1 1077 . 12 1 1 A 85 85 LYS CA C 112 58.750 59.033 -0.283 1 1 1078 . 12 1 1 A 85 85 LYS CB C 112 32.240 32.370 -0.130 1 1 1082 . 12 1 1 A 85 85 LYS N N 112 119.340 117.284 2.056 1 1 1083 . 12 1 1 A 86 86 ASP H H 113 7.350 7.668 -0.318 1 1 1084 . 12 1 1 A 86 86 ASP HA H 113 4.570 4.697 -0.127 1 1 1087 . 12 1 1 A 86 86 ASP C C 113 176.950 176.365 0.585 1 1 1088 . 12 1 1 A 86 86 ASP CA C 113 55.770 54.191 1.579 1 1 1089 . 12 1 1 A 86 86 ASP CB C 113 42.420 41.425 0.995 1 1 1090 . 12 1 1 A 86 86 ASP N N 113 117.210 117.514 -0.304 1 1 1091 . 12 1 1 A 87 87 GLY H H 114 7.760 7.875 -0.115 1 1 1092 . 12 1 1 A 87 87 GLY HA2 H 114 4.380 4.010 0.370 1 1 1093 . 12 1 1 A 87 87 GLY HA3 H 114 4.380 4.038 0.342 1 1 1094 . 12 1 1 A 87 87 GLY C C 114 173.000 174.198 -1.198 1 1 1095 . 12 1 1 A 87 87 GLY CA C 114 44.490 45.723 -1.233 1 1 1096 . 12 1 1 A 87 87 GLY N N 114 107.740 106.888 0.852 1 1 1097 . 12 1 1 A 88 88 VAL H H 115 9.350 8.583 0.767 1 1 1098 . 12 1 1 A 88 88 VAL HA H 115 4.960 4.583 0.377 1 1 1106 . 12 1 1 A 88 88 VAL C C 115 173.100 174.496 -1.396 1 1 1107 . 12 1 1 A 88 88 VAL CA C 115 58.650 62.609 -3.959 1 1 1108 . 12 1 1 A 88 88 VAL CB C 115 35.910 32.941 2.969 1 1 1111 . 12 1 1 A 88 88 VAL N N 115 118.050 123.090 -5.040 1 1 1112 . 12 1 1 A 89 89 VAL H H 116 9.000 9.727 -0.727 1 1 1113 . 12 1 1 A 89 89 VAL HA H 116 4.550 4.958 -0.408 1 1 1121 . 12 1 1 A 89 89 VAL C C 116 174.640 174.994 -0.354 1 1 1122 . 12 1 1 A 89 89 VAL CA C 116 61.360 59.857 1.503 1 1 1123 . 12 1 1 A 89 89 VAL CB C 116 33.760 34.309 -0.549 1 1 1126 . 12 1 1 A 89 89 VAL N N 116 121.030 127.896 -6.866 1 1 1127 . 12 1 1 A 90 90 LEU H H 117 8.950 8.749 0.201 1 1 1128 . 12 1 1 A 90 90 LEU HA H 117 5.160 5.309 -0.149 1 1 1138 . 12 1 1 A 90 90 LEU C C 117 176.150 176.540 -0.390 1 1 1139 . 12 1 1 A 90 90 LEU CA C 117 52.230 54.795 -2.565 1 1 1140 . 12 1 1 A 90 90 LEU CB C 117 44.280 41.911 2.369 1 1 1144 . 12 1 1 A 90 90 LEU N N 117 125.420 129.569 -4.149 1 1 1145 . 12 1 1 A 91 91 LYS H H 118 8.280 8.575 -0.295 1 1 1146 . 12 1 1 A 91 91 LYS HA H 118 4.900 4.567 0.333 1 1 1155 . 12 1 1 A 91 91 LYS C C 118 175.300 175.048 0.252 1 1 1156 . 12 1 1 A 91 91 LYS CA C 118 53.810 55.256 -1.446 1 1 1157 . 12 1 1 A 91 91 LYS CB C 118 36.840 36.784 0.056 1 1 1161 . 12 1 1 A 91 91 LYS N N 118 119.720 121.723 -2.003 1 1 1162 . 12 1 1 A 92 92 GLY H H 119 9.030 8.308 0.722 1 1 1163 . 12 1 1 A 92 92 GLY HA2 H 119 3.750 4.320 -0.570 1 1 1164 . 12 1 1 A 92 92 GLY HA3 H 119 3.750 4.321 -0.571 1 1 1165 . 12 1 1 A 92 92 GLY CA C 119 43.980 44.914 -0.934 1 1 1166 . 12 1 1 A 92 92 GLY N N 119 109.730 108.883 0.847 1 1 1167 . 12 1 1 A 94 94 LYS HA H 121 4.760 4.832 -0.072 1 1 1168 . 12 1 1 A 95 95 ILE H H 122 7.700 8.485 -0.785 1 1 1169 . 12 1 1 A 95 95 ILE HA H 122 4.160 4.723 -0.563 1 1 1179 . 12 1 1 A 95 95 ILE CA C 122 61.270 59.331 1.939 1 1 1180 . 12 1 1 A 95 95 ILE CB C 122 37.590 40.030 -2.440 1 1 1184 . 12 1 1 A 95 95 ILE N N 122 117.400 125.643 -8.243 1 1 1185 . 12 1 1 A 98 98 THR HA H 125 5.810 4.883 0.927 1 1 1190 . 12 1 1 A 98 98 THR CA C 125 61.740 61.007 0.733 1 1 1191 . 12 1 1 A 98 98 THR CB C 125 73.450 72.633 0.817 1 1 1193 . 12 1 1 A 99 99 ILE HA H 126 4.630 4.649 -0.019 1 1 1203 . 12 1 1 A 99 99 ILE C C 126 174.430 175.040 -0.610 1 1 1204 . 12 1 1 A 99 99 ILE CA C 126 59.980 60.314 -0.334 1 1 1205 . 12 1 1 A 99 99 ILE CB C 126 40.970 38.915 2.055 1 1 1209 . 12 1 1 A 100 100 LEU H H 127 9.530 8.748 0.782 1 1 1210 . 12 1 1 A 100 100 LEU HA H 127 4.420 5.090 -0.670 1 1 1220 . 12 1 1 A 100 100 LEU C C 127 174.930 175.316 -0.386 1 1 1221 . 12 1 1 A 100 100 LEU CA C 127 54.030 53.536 0.494 1 1 1222 . 12 1 1 A 100 100 LEU CB C 127 42.520 45.583 -3.063 1 1 1226 . 12 1 1 A 100 100 LEU N N 127 127.300 125.465 1.835 1 1 1227 . 12 1 1 A 101 101 ILE H H 128 8.260 9.273 -1.013 1 1 1228 . 12 1 1 A 101 101 ILE HA H 128 4.320 4.636 -0.316 1 1 1238 . 12 1 1 A 101 101 ILE C C 128 173.880 174.691 -0.811 1 1 1239 . 12 1 1 A 101 101 ILE CA C 128 60.900 60.333 0.567 1 1 1240 . 12 1 1 A 101 101 ILE CB C 128 37.410 38.514 -1.104 1 1 1244 . 12 1 1 A 101 101 ILE N N 128 119.990 123.438 -3.448 1 1 1245 . 12 1 1 A 102 102 GLU H H 129 9.580 8.742 0.838 1 1 1246 . 12 1 1 A 102 102 GLU HA H 129 5.120 5.406 -0.286 1 1 1251 . 12 1 1 A 102 102 GLU C C 129 174.240 174.686 -0.446 1 1 1252 . 12 1 1 A 102 102 GLU CA C 129 54.050 54.743 -0.693 1 1 1253 . 12 1 1 A 102 102 GLU CB C 129 33.630 33.712 -0.082 1 1 1255 . 12 1 1 A 102 102 GLU N N 129 129.780 129.815 -0.035 1 1 1256 . 12 1 1 A 103 103 LYS H H 130 8.680 8.490 0.190 1 1 1257 . 12 1 1 A 103 103 LYS HA H 130 4.720 4.779 -0.059 1 1 1264 . 12 1 1 A 103 103 LYS C C 130 175.280 174.772 0.508 1 1 1265 . 12 1 1 A 103 103 LYS CA C 130 55.190 55.328 -0.138 1 1 1266 . 12 1 1 A 103 103 LYS CB C 130 36.750 35.522 1.228 1 1 1270 . 12 1 1 A 103 103 LYS N N 130 123.420 122.653 0.767 1 1 1271 . 12 1 1 A 104 104 ASP H H 131 9.530 9.273 0.257 1 1 1272 . 12 1 1 A 104 104 ASP HA H 131 4.290 4.356 -0.066 1 1 1275 . 12 1 1 A 104 104 ASP C C 131 176.090 176.243 -0.153 1 1 1276 . 12 1 1 A 104 104 ASP CA C 131 55.370 55.295 0.075 1 1 1277 . 12 1 1 A 104 104 ASP CB C 131 39.260 39.209 0.051 1 1 1278 . 12 1 1 A 104 104 ASP N N 131 127.440 120.609 6.831 1 1 1279 . 12 1 1 A 105 105 GLY H H 132 8.970 8.599 0.371 1 1 1280 . 12 1 1 A 105 105 GLY HA2 H 132 4.090 3.838 0.252 1 1 1281 . 12 1 1 A 105 105 GLY HA3 H 132 3.550 3.839 -0.289 1 1 1282 . 12 1 1 A 105 105 GLY C C 132 173.130 173.489 -0.359 1 1 1283 . 12 1 1 A 105 105 GLY CA C 132 45.230 45.533 -0.303 1 1 1284 . 12 1 1 A 105 105 GLY N N 132 103.820 104.849 -1.029 1 1 1285 . 12 1 1 A 106 106 GLU H H 133 7.720 7.628 0.092 1 1 1286 . 12 1 1 A 106 106 GLU HA H 133 4.720 4.752 -0.032 1 1 1291 . 12 1 1 A 106 106 GLU C C 133 174.940 174.249 0.691 1 1 1292 . 12 1 1 A 106 106 GLU CA C 133 53.770 54.563 -0.793 1 1 1293 . 12 1 1 A 106 106 GLU CB C 133 32.820 32.128 0.692 1 1 1295 . 12 1 1 A 106 106 GLU N N 133 120.200 115.386 4.814 1 1 1296 . 12 1 1 A 107 107 VAL H H 134 8.900 8.781 0.119 1 1 1297 . 12 1 1 A 107 107 VAL HA H 134 3.760 4.401 -0.641 1 1 1305 . 12 1 1 A 107 107 VAL C C 134 175.340 175.806 -0.466 1 1 1306 . 12 1 1 A 107 107 VAL CA C 134 64.230 61.765 2.465 1 1 1307 . 12 1 1 A 107 107 VAL CB C 134 31.160 32.835 -1.675 1 1 1310 . 12 1 1 A 107 107 VAL N N 134 125.990 122.599 3.391 1 1 1311 . 12 1 1 A 108 108 LYS H H 135 9.250 8.589 0.661 1 1 1312 . 12 1 1 A 108 108 LYS HA H 135 4.810 4.493 0.317 1 1 1321 . 12 1 1 A 108 108 LYS C C 135 174.390 175.512 -1.122 1 1 1322 . 12 1 1 A 108 108 LYS CA C 135 54.740 55.550 -0.810 1 1 1323 . 12 1 1 A 108 108 LYS CB C 135 34.690 33.530 1.160 1 1 1327 . 12 1 1 A 108 108 LYS N N 135 126.060 124.109 1.951 1 1 1328 . 12 1 1 A 109 109 LEU H H 136 7.690 7.211 0.479 1 1 1329 . 12 1 1 A 109 109 LEU HA H 136 4.820 5.120 -0.300 1 1 1339 . 12 1 1 A 109 109 LEU C C 136 172.450 174.353 -1.903 1 1 1340 . 12 1 1 A 109 109 LEU CA C 136 53.250 53.630 -0.380 1 1 1341 . 12 1 1 A 109 109 LEU CB C 136 47.800 45.377 2.423 1 1 1345 . 12 1 1 A 109 109 LEU N N 136 116.670 120.804 -4.134 1 1 1346 . 12 1 1 A 110 110 LYS H H 137 9.170 8.974 0.196 1 1 1347 . 12 1 1 A 110 110 LYS HA H 137 5.050 4.946 0.104 1 1 1356 . 12 1 1 A 110 110 LYS C C 137 172.760 175.089 -2.329 1 1 1357 . 12 1 1 A 110 110 LYS CA C 137 54.090 54.748 -0.658 1 1 1358 . 12 1 1 A 110 110 LYS CB C 137 36.560 37.103 -0.543 1 1 1362 . 12 1 1 A 110 110 LYS N N 137 117.050 122.107 -5.057 1 1 1363 . 12 1 1 A 111 111 LEU H H 138 9.400 9.012 0.388 1 1 1364 . 12 1 1 A 111 111 LEU HA H 138 5.250 4.893 0.357 1 1 1374 . 12 1 1 A 111 111 LEU C C 138 176.470 176.876 -0.406 1 1 1375 . 12 1 1 A 111 111 LEU CA C 138 52.230 53.851 -1.621 1 1 1376 . 12 1 1 A 111 111 LEU CB C 138 42.810 41.088 1.722 1 1 1380 . 12 1 1 A 111 111 LEU N N 138 121.800 122.019 -0.219 1 1 1381 . 12 1 1 A 112 112 ILE H H 139 9.080 9.413 -0.333 1 1 1382 . 12 1 1 A 112 112 ILE HA H 139 5.420 4.335 1.085 1 1 1392 . 12 1 1 A 112 112 ILE C C 139 175.710 174.815 0.895 1 1 1393 . 12 1 1 A 112 112 ILE CA C 139 59.170 63.149 -3.979 1 1 1394 . 12 1 1 A 112 112 ILE CB C 139 41.010 37.202 3.808 1 1 1398 . 12 1 1 A 112 112 ILE N N 139 120.350 119.828 0.522 1 1 1399 . 12 1 1 A 113 113 ARG H H 140 8.550 8.647 -0.097 1 1 1400 . 12 1 1 A 113 113 ARG HA H 140 3.940 4.477 -0.537 1 1 1403 . 12 1 1 A 113 113 ARG C C 140 176.030 176.351 -0.321 1 1 1404 . 12 1 1 A 113 113 ARG CA C 140 56.180 54.773 1.407 1 1 1405 . 12 1 1 A 113 113 ARG CB C 140 30.770 29.111 1.659 1 1 1408 . 12 1 1 A 113 113 ARG N N 140 127.710 126.796 0.914 1 1 1409 . 12 1 1 A 114 114 GLY H H 141 8.530 8.341 0.189 1 1 1410 . 12 1 1 A 114 114 GLY HA2 H 141 4.000 3.834 0.166 1 1 1411 . 12 1 1 A 114 114 GLY HA3 H 141 3.820 3.840 -0.020 1 1 1412 . 12 1 1 A 114 114 GLY C C 141 172.650 174.341 -1.691 1 1 1413 . 12 1 1 A 114 114 GLY CA C 141 45.100 47.388 -2.288 1 1 1414 . 12 1 1 A 114 114 GLY N N 141 111.410 112.802 -1.392 1 1 1 . 13 1 1 A 2 2 SER HA H 29 4.540 4.182 0.358 1 1 4 . 13 1 1 A 2 2 SER C C 29 174.370 175.115 -0.745 1 1 5 . 13 1 1 A 2 2 SER CA C 29 58.380 59.248 -0.868 1 1 6 . 13 1 1 A 2 2 SER CB C 29 63.670 61.063 2.607 1 1 7 . 13 1 1 A 3 3 SER H H 30 8.530 8.203 0.327 1 1 8 . 13 1 1 A 3 3 SER HA H 30 4.480 5.006 -0.526 1 1 11 . 13 1 1 A 3 3 SER C C 30 174.610 174.168 0.442 1 1 12 . 13 1 1 A 3 3 SER CA C 30 58.380 57.701 0.679 1 1 13 . 13 1 1 A 3 3 SER CB C 30 63.690 62.519 1.171 1 1 14 . 13 1 1 A 3 3 SER N N 30 117.760 116.195 1.565 1 1 15 . 13 1 1 A 4 4 ASN H H 31 8.600 8.139 0.461 1 1 16 . 13 1 1 A 4 4 ASN HA H 31 4.710 5.144 -0.434 1 1 21 . 13 1 1 A 4 4 ASN C C 31 175.840 174.944 0.896 1 1 22 . 13 1 1 A 4 4 ASN CA C 31 53.880 52.142 1.738 1 1 23 . 13 1 1 A 4 4 ASN CB C 31 38.520 38.361 0.159 1 1 24 . 13 1 1 A 4 4 ASN N N 31 120.910 119.208 1.702 1 1 26 . 13 1 1 A 5 5 SER H H 32 8.360 8.386 -0.026 1 1 27 . 13 1 1 A 5 5 SER HA H 32 4.420 4.682 -0.262 1 1 30 . 13 1 1 A 5 5 SER C C 32 174.700 174.727 -0.027 1 1 31 . 13 1 1 A 5 5 SER CA C 32 59.310 56.830 2.480 1 1 32 . 13 1 1 A 5 5 SER CB C 32 63.410 64.422 -1.012 1 1 33 . 13 1 1 A 5 5 SER N N 32 115.920 116.293 -0.373 1 1 34 . 13 1 1 A 6 6 GLU H H 33 8.370 8.901 -0.531 1 1 35 . 13 1 1 A 6 6 GLU HA H 33 4.530 3.924 0.606 1 1 40 . 13 1 1 A 6 6 GLU C C 33 176.390 175.593 0.797 1 1 41 . 13 1 1 A 6 6 GLU CA C 33 56.510 57.832 -1.322 1 1 42 . 13 1 1 A 6 6 GLU CB C 33 29.850 27.758 2.092 1 1 44 . 13 1 1 A 6 6 GLU N N 33 121.670 119.549 2.121 1 1 45 . 13 1 1 A 7 7 LYS H H 34 8.120 7.978 0.142 1 1 46 . 13 1 1 A 7 7 LYS HA H 34 4.370 4.057 0.313 1 1 55 . 13 1 1 A 7 7 LYS C C 34 176.060 175.594 0.466 1 1 56 . 13 1 1 A 7 7 LYS CA C 34 56.140 55.742 0.398 1 1 57 . 13 1 1 A 7 7 LYS CB C 34 33.200 32.152 1.048 1 1 61 . 13 1 1 A 7 7 LYS N N 34 121.020 119.640 1.380 1 1 62 . 13 1 1 A 8 8 GLU H H 35 8.550 8.331 0.219 1 1 63 . 13 1 1 A 8 8 GLU HA H 35 4.830 4.555 0.275 1 1 68 . 13 1 1 A 8 8 GLU C C 35 175.050 175.508 -0.458 1 1 69 . 13 1 1 A 8 8 GLU CA C 35 56.390 55.674 0.716 1 1 70 . 13 1 1 A 8 8 GLU CB C 35 31.340 30.019 1.321 1 1 72 . 13 1 1 A 8 8 GLU N N 35 122.450 125.116 -2.666 1 1 73 . 13 1 1 A 9 9 TRP H H 36 9.680 9.303 0.377 1 1 74 . 13 1 1 A 9 9 TRP HA H 36 4.860 5.328 -0.468 1 1 80 . 13 1 1 A 9 9 TRP C C 36 175.390 175.690 -0.300 1 1 81 . 13 1 1 A 9 9 TRP CA C 36 55.890 55.843 0.047 1 1 82 . 13 1 1 A 9 9 TRP CB C 36 30.810 30.748 0.062 1 1 85 . 13 1 1 A 9 9 TRP N N 36 122.800 126.256 -3.456 1 1 87 . 13 1 1 A 10 10 HIS H H 37 9.690 9.184 0.506 1 1 88 . 13 1 1 A 10 10 HIS HA H 37 4.990 5.120 -0.130 1 1 93 . 13 1 1 A 10 10 HIS C C 37 174.840 174.718 0.122 1 1 94 . 13 1 1 A 10 10 HIS CA C 37 54.720 55.365 -0.645 1 1 95 . 13 1 1 A 10 10 HIS CB C 37 29.840 30.816 -0.976 1 1 98 . 13 1 1 A 10 10 HIS N N 37 120.400 121.693 -1.293 1 1 99 . 13 1 1 A 11 11 ILE H H 38 7.740 8.206 -0.466 1 1 100 . 13 1 1 A 11 11 ILE HA H 38 4.360 4.556 -0.196 1 1 110 . 13 1 1 A 11 11 ILE C C 38 175.030 175.446 -0.416 1 1 111 . 13 1 1 A 11 11 ILE CA C 38 62.110 62.427 -0.317 1 1 112 . 13 1 1 A 11 11 ILE CB C 38 37.590 37.654 -0.064 1 1 116 . 13 1 1 A 11 11 ILE N N 38 121.700 125.368 -3.668 1 1 117 . 13 1 1 A 12 12 VAL H H 39 9.370 9.465 -0.095 1 1 118 . 13 1 1 A 12 12 VAL HA H 39 4.690 4.549 0.141 1 1 126 . 13 1 1 A 12 12 VAL CA C 39 58.500 58.545 -0.045 1 1 127 . 13 1 1 A 12 12 VAL CB C 39 34.970 33.791 1.179 1 1 130 . 13 1 1 A 12 12 VAL N N 39 130.310 127.237 3.073 1 1 131 . 13 1 1 A 13 13 PRO HA H 40 4.470 4.871 -0.401 1 1 138 . 13 1 1 A 13 13 PRO C C 40 175.070 176.358 -1.288 1 1 139 . 13 1 1 A 13 13 PRO CA C 40 63.130 62.178 0.952 1 1 140 . 13 1 1 A 13 13 PRO CB C 40 33.580 32.165 1.415 1 1 143 . 13 1 1 A 14 14 VAL H H 41 7.970 9.009 -1.039 1 1 144 . 13 1 1 A 14 14 VAL HA H 41 4.170 4.193 -0.023 1 1 152 . 13 1 1 A 14 14 VAL C C 41 175.360 176.185 -0.825 1 1 153 . 13 1 1 A 14 14 VAL CA C 41 63.600 63.600 0.000 1 1 154 . 13 1 1 A 14 14 VAL CB C 41 34.050 32.748 1.302 1 1 157 . 13 1 1 A 14 14 VAL N N 41 119.000 118.516 0.484 1 1 158 . 13 1 1 A 15 15 SER H H 42 8.040 7.490 0.550 1 1 159 . 13 1 1 A 15 15 SER HA H 42 4.530 4.385 0.145 1 1 162 . 13 1 1 A 15 15 SER C C 42 176.240 175.239 1.001 1 1 163 . 13 1 1 A 15 15 SER CA C 42 57.620 57.608 0.012 1 1 164 . 13 1 1 A 15 15 SER CB C 42 64.250 64.209 0.041 1 1 165 . 13 1 1 A 15 15 SER N N 42 113.900 115.604 -1.704 1 1 166 . 13 1 1 A 16 16 LYS H H 43 8.690 8.796 -0.106 1 1 167 . 13 1 1 A 16 16 LYS HA H 43 2.830 2.791 0.039 1 1 176 . 13 1 1 A 16 16 LYS C C 43 177.790 178.076 -0.286 1 1 177 . 13 1 1 A 16 16 LYS CA C 43 58.100 58.902 -0.802 1 1 178 . 13 1 1 A 16 16 LYS CB C 43 31.840 31.819 0.021 1 1 182 . 13 1 1 A 16 16 LYS N N 43 124.940 127.117 -2.177 1 1 183 . 13 1 1 A 17 17 ASP H H 44 8.590 7.332 1.258 1 1 184 . 13 1 1 A 17 17 ASP HA H 44 4.100 4.313 -0.213 1 1 187 . 13 1 1 A 17 17 ASP C C 44 176.670 176.872 -0.202 1 1 188 . 13 1 1 A 17 17 ASP CA C 44 55.580 56.264 -0.684 1 1 189 . 13 1 1 A 17 17 ASP CB C 44 39.300 40.517 -1.217 1 1 190 . 13 1 1 A 17 17 ASP N N 44 118.140 118.992 -0.852 1 1 191 . 13 1 1 A 18 18 TYR H H 45 7.870 7.760 0.110 1 1 192 . 13 1 1 A 18 18 TYR HA H 45 4.550 4.671 -0.121 1 1 199 . 13 1 1 A 18 18 TYR C C 45 174.860 176.625 -1.765 1 1 200 . 13 1 1 A 18 18 TYR CA C 45 58.510 57.816 0.694 1 1 201 . 13 1 1 A 18 18 TYR CB C 45 39.470 38.843 0.627 1 1 206 . 13 1 1 A 18 18 TYR N N 45 115.260 116.784 -1.524 1 1 207 . 13 1 1 A 19 19 PHE H H 46 7.430 7.556 -0.126 1 1 208 . 13 1 1 A 19 19 PHE HA H 46 4.360 4.477 -0.117 1 1 215 . 13 1 1 A 19 19 PHE C C 46 176.950 176.759 0.191 1 1 216 . 13 1 1 A 19 19 PHE CA C 46 59.340 60.738 -1.398 1 1 217 . 13 1 1 A 19 19 PHE CB C 46 37.870 38.254 -0.384 1 1 222 . 13 1 1 A 19 19 PHE N N 46 120.020 121.134 -1.114 1 1 223 . 13 1 1 A 20 20 SER H H 47 8.620 7.804 0.816 1 1 224 . 13 1 1 A 20 20 SER HA H 47 4.430 4.760 -0.330 1 1 227 . 13 1 1 A 20 20 SER C C 47 173.980 174.177 -0.197 1 1 228 . 13 1 1 A 20 20 SER CA C 47 58.660 57.910 0.750 1 1 229 . 13 1 1 A 20 20 SER CB C 47 62.850 63.321 -0.471 1 1 230 . 13 1 1 A 20 20 SER N N 47 111.500 111.354 0.146 1 1 231 . 13 1 1 A 21 21 ILE H H 48 7.660 7.392 0.268 1 1 232 . 13 1 1 A 21 21 ILE HA H 48 4.110 4.236 -0.126 1 1 242 . 13 1 1 A 21 21 ILE CA C 48 59.780 60.646 -0.866 1 1 243 . 13 1 1 A 21 21 ILE CB C 48 38.330 38.039 0.291 1 1 247 . 13 1 1 A 21 21 ILE N N 48 119.380 123.996 -4.616 1 1 248 . 13 1 1 A 22 22 PRO HA H 49 4.500 4.557 -0.057 1 1 255 . 13 1 1 A 22 22 PRO C C 49 176.110 177.503 -1.393 1 1 256 . 13 1 1 A 22 22 PRO CA C 49 62.880 62.890 -0.010 1 1 257 . 13 1 1 A 22 22 PRO CB C 49 32.570 32.977 -0.407 1 1 260 . 13 1 1 A 23 23 ASN H H 50 8.630 8.783 -0.153 1 1 261 . 13 1 1 A 23 23 ASN HA H 50 4.800 4.593 0.207 1 1 266 . 13 1 1 A 23 23 ASN C C 50 176.580 174.758 1.822 1 1 267 . 13 1 1 A 23 23 ASN CA C 50 53.610 55.674 -2.064 1 1 268 . 13 1 1 A 23 23 ASN CB C 50 38.490 38.781 -0.291 1 1 269 . 13 1 1 A 23 23 ASN N N 50 117.590 120.207 -2.617 1 1 271 . 13 1 1 A 24 24 ASP H H 51 8.580 7.671 0.909 1 1 272 . 13 1 1 A 24 24 ASP HA H 51 4.760 5.028 -0.268 1 1 275 . 13 1 1 A 24 24 ASP C C 51 175.090 173.985 1.105 1 1 276 . 13 1 1 A 24 24 ASP CA C 51 52.500 53.644 -1.144 1 1 277 . 13 1 1 A 24 24 ASP CB C 51 39.840 43.587 -3.747 1 1 278 . 13 1 1 A 24 24 ASP N N 51 120.490 114.933 5.557 1 1 279 . 13 1 1 A 25 25 LEU H H 52 8.400 8.989 -0.589 1 1 280 . 13 1 1 A 25 25 LEU HA H 52 4.390 5.105 -0.715 1 1 290 . 13 1 1 A 25 25 LEU C C 52 176.340 175.271 1.069 1 1 291 . 13 1 1 A 25 25 LEU CA C 52 55.460 53.380 2.080 1 1 292 . 13 1 1 A 25 25 LEU CB C 52 43.270 43.781 -0.511 1 1 296 . 13 1 1 A 25 25 LEU N N 52 119.530 124.895 -5.365 1 1 297 . 13 1 1 A 26 26 LEU H H 53 8.840 9.245 -0.405 1 1 298 . 13 1 1 A 26 26 LEU HA H 53 5.140 4.820 0.320 1 1 308 . 13 1 1 A 26 26 LEU C C 53 174.620 175.228 -0.608 1 1 309 . 13 1 1 A 26 26 LEU CA C 53 52.840 53.024 -0.184 1 1 310 . 13 1 1 A 26 26 LEU CB C 53 44.070 42.743 1.327 1 1 314 . 13 1 1 A 26 26 LEU N N 53 126.610 124.120 2.490 1 1 315 . 13 1 1 A 27 27 TRP H H 54 9.230 9.232 -0.002 1 1 316 . 13 1 1 A 27 27 TRP HA H 54 5.570 5.247 0.323 1 1 325 . 13 1 1 A 27 27 TRP C C 54 175.740 175.150 0.590 1 1 326 . 13 1 1 A 27 27 TRP CA C 54 54.510 55.569 -1.059 1 1 327 . 13 1 1 A 27 27 TRP CB C 54 31.710 33.088 -1.378 1 1 333 . 13 1 1 A 27 27 TRP N N 54 122.650 128.248 -5.598 1 1 335 . 13 1 1 A 28 28 SER H H 55 9.240 8.464 0.776 1 1 336 . 13 1 1 A 28 28 SER HA H 55 5.490 5.233 0.257 1 1 339 . 13 1 1 A 28 28 SER C C 55 173.440 173.263 0.177 1 1 340 . 13 1 1 A 28 28 SER CA C 55 56.990 56.590 0.400 1 1 341 . 13 1 1 A 28 28 SER CB C 55 66.150 66.171 -0.021 1 1 342 . 13 1 1 A 28 28 SER N N 55 121.970 123.220 -1.250 1 1 343 . 13 1 1 A 29 29 PHE H H 56 9.590 9.555 0.035 1 1 344 . 13 1 1 A 29 29 PHE HA H 56 5.150 4.834 0.316 1 1 352 . 13 1 1 A 29 29 PHE C C 56 175.810 175.518 0.292 1 1 353 . 13 1 1 A 29 29 PHE CA C 56 57.180 59.208 -2.028 1 1 354 . 13 1 1 A 29 29 PHE CB C 56 42.370 39.419 2.951 1 1 360 . 13 1 1 A 29 29 PHE N N 56 121.420 127.008 -5.588 1 1 361 . 13 1 1 A 30 30 ASN H H 57 9.400 9.265 0.135 1 1 362 . 13 1 1 A 30 30 ASN HA H 57 5.220 4.938 0.282 1 1 367 . 13 1 1 A 30 30 ASN C C 57 176.540 176.238 0.302 1 1 368 . 13 1 1 A 30 30 ASN CA C 57 52.320 51.852 0.468 1 1 369 . 13 1 1 A 30 30 ASN CB C 57 38.520 38.095 0.425 1 1 370 . 13 1 1 A 30 30 ASN N N 57 120.660 123.319 -2.659 1 1 372 . 13 1 1 A 31 31 THR H H 58 9.180 8.684 0.496 1 1 373 . 13 1 1 A 31 31 THR HA H 58 4.800 4.661 0.139 1 1 378 . 13 1 1 A 31 31 THR C C 58 176.950 175.979 0.971 1 1 379 . 13 1 1 A 31 31 THR CA C 58 63.430 63.767 -0.337 1 1 380 . 13 1 1 A 31 31 THR CB C 58 68.110 69.088 -0.978 1 1 382 . 13 1 1 A 31 31 THR N N 58 114.630 118.666 -4.036 1 1 383 . 13 1 1 A 32 32 THR H H 59 8.450 7.863 0.587 1 1 384 . 13 1 1 A 32 32 THR HA H 59 4.130 4.310 -0.180 1 1 389 . 13 1 1 A 32 32 THR C C 59 175.130 175.617 -0.487 1 1 390 . 13 1 1 A 32 32 THR CA C 59 65.550 65.078 0.472 1 1 391 . 13 1 1 A 32 32 THR CB C 59 68.200 69.402 -1.202 1 1 393 . 13 1 1 A 32 32 THR N N 59 120.020 116.495 3.525 1 1 394 . 13 1 1 A 33 33 ASN H H 60 7.500 7.763 -0.263 1 1 395 . 13 1 1 A 33 33 ASN HA H 60 4.690 4.811 -0.121 1 1 400 . 13 1 1 A 33 33 ASN C C 60 174.230 174.423 -0.193 1 1 401 . 13 1 1 A 33 33 ASN CA C 60 51.650 52.505 -0.855 1 1 402 . 13 1 1 A 33 33 ASN CB C 60 37.870 39.384 -1.514 1 1 403 . 13 1 1 A 33 33 ASN N N 60 117.490 116.469 1.021 1 1 405 . 13 1 1 A 34 34 LYS H H 61 7.580 7.912 -0.332 1 1 406 . 13 1 1 A 34 34 LYS HA H 61 3.500 3.990 -0.490 1 1 415 . 13 1 1 A 34 34 LYS C C 61 172.880 174.499 -1.619 1 1 416 . 13 1 1 A 34 34 LYS CA C 61 57.160 57.018 0.142 1 1 417 . 13 1 1 A 34 34 LYS CB C 61 28.540 29.341 -0.801 1 1 421 . 13 1 1 A 34 34 LYS N N 61 118.030 116.899 1.131 1 1 422 . 13 1 1 A 35 35 SER H H 62 8.560 8.681 -0.121 1 1 423 . 13 1 1 A 35 35 SER HA H 62 5.670 5.135 0.535 1 1 426 . 13 1 1 A 35 35 SER C C 62 173.510 172.745 0.765 1 1 427 . 13 1 1 A 35 35 SER CA C 62 56.110 56.325 -0.215 1 1 428 . 13 1 1 A 35 35 SER CB C 62 67.800 66.195 1.605 1 1 429 . 13 1 1 A 35 35 SER N N 62 109.720 112.966 -3.246 1 1 430 . 13 1 1 A 36 36 ILE H H 63 8.750 9.329 -0.579 1 1 431 . 13 1 1 A 36 36 ILE HA H 63 4.940 4.801 0.139 1 1 441 . 13 1 1 A 36 36 ILE C C 63 174.660 174.426 0.234 1 1 442 . 13 1 1 A 36 36 ILE CA C 63 58.180 60.364 -2.184 1 1 443 . 13 1 1 A 36 36 ILE CB C 63 40.660 39.075 1.585 1 1 447 . 13 1 1 A 36 36 ILE N N 63 117.490 122.931 -5.441 1 1 448 . 13 1 1 A 37 37 ASN H H 64 8.400 9.231 -0.831 1 1 449 . 13 1 1 A 37 37 ASN HA H 64 5.650 5.452 0.198 1 1 454 . 13 1 1 A 37 37 ASN C C 64 173.490 174.293 -0.803 1 1 455 . 13 1 1 A 37 37 ASN CA C 64 51.670 52.156 -0.486 1 1 456 . 13 1 1 A 37 37 ASN CB C 64 41.900 39.512 2.388 1 1 457 . 13 1 1 A 37 37 ASN N N 64 122.180 126.021 -3.841 1 1 459 . 13 1 1 A 38 38 VAL H H 65 8.900 8.634 0.266 1 1 460 . 13 1 1 A 38 38 VAL HA H 65 5.540 4.783 0.757 1 1 468 . 13 1 1 A 38 38 VAL C C 65 174.590 175.128 -0.538 1 1 469 . 13 1 1 A 38 38 VAL CA C 65 60.060 61.068 -1.008 1 1 470 . 13 1 1 A 38 38 VAL CB C 65 34.870 32.766 2.104 1 1 473 . 13 1 1 A 38 38 VAL N N 65 122.060 125.426 -3.366 1 1 474 . 13 1 1 A 39 39 TYR H H 66 8.910 8.907 0.003 1 1 475 . 13 1 1 A 39 39 TYR HA H 66 5.490 5.828 -0.338 1 1 482 . 13 1 1 A 39 39 TYR C C 66 172.810 173.502 -0.692 1 1 483 . 13 1 1 A 39 39 TYR CA C 66 56.220 55.776 0.444 1 1 484 . 13 1 1 A 39 39 TYR CB C 66 40.620 42.338 -1.718 1 1 489 . 13 1 1 A 39 39 TYR N N 66 123.530 124.160 -0.630 1 1 490 . 13 1 1 A 40 40 SER H H 67 8.970 9.423 -0.453 1 1 491 . 13 1 1 A 40 40 SER HA H 67 4.780 4.838 -0.058 1 1 495 . 13 1 1 A 40 40 SER C C 67 174.360 174.416 -0.056 1 1 496 . 13 1 1 A 40 40 SER CA C 67 56.580 56.800 -0.220 1 1 497 . 13 1 1 A 40 40 SER CB C 67 66.290 65.929 0.361 1 1 498 . 13 1 1 A 40 40 SER N N 67 115.210 114.783 0.427 1 1 499 . 13 1 1 A 41 41 LYS H H 68 9.020 8.613 0.407 1 1 500 . 13 1 1 A 41 41 LYS HA H 68 4.210 4.178 0.032 1 1 509 . 13 1 1 A 41 41 LYS C C 68 177.730 176.641 1.089 1 1 510 . 13 1 1 A 41 41 LYS CA C 68 59.240 58.084 1.156 1 1 511 . 13 1 1 A 41 41 LYS CB C 68 31.660 31.884 -0.224 1 1 515 . 13 1 1 A 41 41 LYS N N 68 118.790 117.498 1.292 1 1 516 . 13 1 1 A 42 42 CYS H H 69 8.090 7.702 0.388 1 1 517 . 13 1 1 A 42 42 CYS HA H 69 4.750 4.701 0.049 1 1 520 . 13 1 1 A 42 42 CYS C C 69 173.260 173.909 -0.649 1 1 521 . 13 1 1 A 42 42 CYS CA C 69 52.780 56.992 -4.212 1 1 522 . 13 1 1 A 42 42 CYS CB C 69 39.470 44.900 -5.430 1 1 523 . 13 1 1 A 42 42 CYS N N 69 113.650 115.291 -1.641 1 1 524 . 13 1 1 A 43 43 ILE H H 70 7.550 7.738 -0.188 1 1 525 . 13 1 1 A 43 43 ILE HA H 70 5.210 5.093 0.117 1 1 535 . 13 1 1 A 43 43 ILE C C 70 171.870 174.983 -3.113 1 1 536 . 13 1 1 A 43 43 ILE CA C 70 59.800 61.009 -1.209 1 1 537 . 13 1 1 A 43 43 ILE CB C 70 42.550 39.734 2.816 1 1 541 . 13 1 1 A 43 43 ILE N N 70 118.580 121.641 -3.061 1 1 542 . 13 1 1 A 44 44 SER H H 71 8.190 8.805 -0.615 1 1 543 . 13 1 1 A 44 44 SER HA H 71 5.190 5.204 -0.014 1 1 546 . 13 1 1 A 44 44 SER C C 71 173.790 173.209 0.581 1 1 547 . 13 1 1 A 44 44 SER CA C 71 56.980 58.219 -1.239 1 1 548 . 13 1 1 A 44 44 SER CB C 71 64.910 65.164 -0.254 1 1 549 . 13 1 1 A 44 44 SER N N 71 117.640 122.196 -4.556 1 1 550 . 13 1 1 A 45 45 GLY H H 72 9.720 9.057 0.663 1 1 551 . 13 1 1 A 45 45 GLY HA2 H 72 5.280 4.481 0.799 1 1 552 . 13 1 1 A 45 45 GLY HA3 H 72 3.460 4.482 -1.022 1 1 553 . 13 1 1 A 45 45 GLY C C 72 171.300 172.038 -0.738 1 1 554 . 13 1 1 A 45 45 GLY CA C 72 45.230 44.787 0.443 1 1 555 . 13 1 1 A 45 45 GLY N N 72 114.160 113.602 0.558 1 1 556 . 13 1 1 A 46 46 LYS H H 73 8.340 8.473 -0.133 1 1 557 . 13 1 1 A 46 46 LYS HA H 73 5.530 5.425 0.105 1 1 566 . 13 1 1 A 46 46 LYS C C 73 174.510 174.562 -0.052 1 1 567 . 13 1 1 A 46 46 LYS CA C 73 54.930 54.816 0.114 1 1 568 . 13 1 1 A 46 46 LYS CB C 73 36.420 36.450 -0.030 1 1 572 . 13 1 1 A 46 46 LYS N N 73 123.520 121.373 2.147 1 1 573 . 13 1 1 A 47 47 ALA H H 74 8.440 8.230 0.210 1 1 574 . 13 1 1 A 47 47 ALA HA H 74 4.400 4.785 -0.385 1 1 578 . 13 1 1 A 47 47 ALA C C 74 175.850 175.167 0.683 1 1 579 . 13 1 1 A 47 47 ALA CA C 74 49.860 51.011 -1.151 1 1 580 . 13 1 1 A 47 47 ALA CB C 74 20.750 23.102 -2.352 1 1 581 . 13 1 1 A 47 47 ALA N N 74 125.710 125.580 0.130 1 1 582 . 13 1 1 A 48 48 VAL H H 75 7.840 8.284 -0.444 1 1 583 . 13 1 1 A 48 48 VAL HA H 75 4.640 4.490 0.150 1 1 591 . 13 1 1 A 48 48 VAL C C 75 176.660 174.560 2.100 1 1 592 . 13 1 1 A 48 48 VAL CA C 75 61.160 61.073 0.087 1 1 593 . 13 1 1 A 48 48 VAL CB C 75 32.180 34.165 -1.985 1 1 596 . 13 1 1 A 48 48 VAL N N 75 120.660 119.165 1.495 1 1 597 . 13 1 1 A 49 49 TYR H H 76 8.340 7.973 0.367 1 1 598 . 13 1 1 A 49 49 TYR HA H 76 5.230 6.058 -0.828 1 1 605 . 13 1 1 A 49 49 TYR C C 76 173.480 174.613 -1.133 1 1 606 . 13 1 1 A 49 49 TYR CA C 76 54.940 55.374 -0.434 1 1 607 . 13 1 1 A 49 49 TYR CB C 76 42.030 41.027 1.003 1 1 612 . 13 1 1 A 49 49 TYR N N 76 126.510 124.461 2.049 1 1 613 . 13 1 1 A 50 50 SER H H 77 8.360 8.888 -0.528 1 1 614 . 13 1 1 A 50 50 SER HA H 77 4.560 5.496 -0.936 1 1 617 . 13 1 1 A 50 50 SER C C 77 171.180 172.871 -1.691 1 1 618 . 13 1 1 A 50 50 SER CA C 77 56.890 57.024 -0.134 1 1 619 . 13 1 1 A 50 50 SER CB C 77 65.650 66.596 -0.946 1 1 620 . 13 1 1 A 50 50 SER N N 77 111.300 117.596 -6.296 1 1 621 . 13 1 1 A 51 51 PHE H H 78 8.660 8.759 -0.099 1 1 622 . 13 1 1 A 51 51 PHE HA H 78 5.860 5.697 0.163 1 1 630 . 13 1 1 A 51 51 PHE C C 78 176.800 174.396 2.404 1 1 631 . 13 1 1 A 51 51 PHE CA C 78 56.090 56.532 -0.442 1 1 632 . 13 1 1 A 51 51 PHE CB C 78 42.280 43.728 -1.448 1 1 638 . 13 1 1 A 51 51 PHE N N 78 116.710 119.375 -2.665 1 1 639 . 13 1 1 A 52 52 ASN H H 79 9.190 9.209 -0.019 1 1 640 . 13 1 1 A 52 52 ASN HA H 79 4.900 5.193 -0.293 1 1 645 . 13 1 1 A 52 52 ASN C C 79 174.870 174.460 0.410 1 1 646 . 13 1 1 A 52 52 ASN CA C 79 53.300 52.585 0.715 1 1 647 . 13 1 1 A 52 52 ASN CB C 79 41.350 40.842 0.508 1 1 648 . 13 1 1 A 52 52 ASN N N 79 119.620 120.557 -0.937 1 1 650 . 13 1 1 A 53 53 ALA H H 80 9.650 9.259 0.391 1 1 651 . 13 1 1 A 53 53 ALA HA H 80 4.110 4.073 0.037 1 1 655 . 13 1 1 A 53 53 ALA C C 80 176.800 176.959 -0.159 1 1 656 . 13 1 1 A 53 53 ALA CA C 80 52.860 53.437 -0.577 1 1 657 . 13 1 1 A 53 53 ALA CB C 80 16.760 18.085 -1.325 1 1 658 . 13 1 1 A 53 53 ALA N N 80 131.210 130.012 1.198 1 1 659 . 13 1 1 A 54 54 GLY H H 81 8.850 8.464 0.386 1 1 660 . 13 1 1 A 54 54 GLY HA2 H 81 4.320 3.895 0.425 1 1 661 . 13 1 1 A 54 54 GLY HA3 H 81 4.220 3.898 0.322 1 1 662 . 13 1 1 A 54 54 GLY C C 81 173.950 174.106 -0.156 1 1 663 . 13 1 1 A 54 54 GLY CA C 81 45.320 45.270 0.050 1 1 664 . 13 1 1 A 54 54 GLY N N 81 104.570 102.597 1.973 1 1 665 . 13 1 1 A 55 55 LYS H H 82 8.030 7.977 0.053 1 1 666 . 13 1 1 A 55 55 LYS HA H 82 4.910 4.462 0.448 1 1 675 . 13 1 1 A 55 55 LYS C C 82 174.120 175.680 -1.560 1 1 676 . 13 1 1 A 55 55 LYS CA C 82 54.350 55.885 -1.535 1 1 677 . 13 1 1 A 55 55 LYS CB C 82 34.010 32.383 1.627 1 1 681 . 13 1 1 A 55 55 LYS N N 82 120.230 120.654 -0.424 1 1 682 . 13 1 1 A 56 56 PHE H H 83 9.390 9.478 -0.088 1 1 683 . 13 1 1 A 56 56 PHE HA H 83 4.250 4.229 0.021 1 1 691 . 13 1 1 A 56 56 PHE C C 83 173.870 174.046 -0.176 1 1 692 . 13 1 1 A 56 56 PHE CA C 83 56.630 56.857 -0.227 1 1 693 . 13 1 1 A 56 56 PHE CB C 83 40.940 39.961 0.979 1 1 699 . 13 1 1 A 56 56 PHE N N 83 125.150 125.749 -0.599 1 1 700 . 13 1 1 A 57 57 MET H H 84 8.270 8.768 -0.498 1 1 701 . 13 1 1 A 57 57 MET HA H 84 5.140 5.815 -0.675 1 1 709 . 13 1 1 A 57 57 MET C C 84 174.090 174.943 -0.853 1 1 710 . 13 1 1 A 57 57 MET CA C 84 53.600 54.062 -0.462 1 1 711 . 13 1 1 A 57 57 MET CB C 84 36.190 36.958 -0.768 1 1 714 . 13 1 1 A 57 57 MET N N 84 124.270 125.370 -1.100 1 1 715 . 13 1 1 A 58 58 GLY H H 85 7.420 8.446 -1.026 1 1 716 . 13 1 1 A 58 58 GLY HA2 H 85 3.900 3.809 0.091 1 1 717 . 13 1 1 A 58 58 GLY HA3 H 85 2.790 3.971 -1.181 1 1 718 . 13 1 1 A 58 58 GLY C C 85 169.900 172.131 -2.231 1 1 719 . 13 1 1 A 58 58 GLY CA C 85 45.620 44.598 1.022 1 1 720 . 13 1 1 A 58 58 GLY N N 85 103.440 109.097 -5.657 1 1 721 . 13 1 1 A 59 59 ASN H H 86 8.410 8.734 -0.324 1 1 722 . 13 1 1 A 59 59 ASN HA H 86 4.890 4.800 0.090 1 1 727 . 13 1 1 A 59 59 ASN C C 86 174.650 174.932 -0.282 1 1 728 . 13 1 1 A 59 59 ASN CA C 86 51.110 53.403 -2.293 1 1 729 . 13 1 1 A 59 59 ASN CB C 86 38.140 38.978 -0.838 1 1 730 . 13 1 1 A 59 59 ASN N N 86 122.270 123.448 -1.178 1 1 732 . 13 1 1 A 60 60 PHE H H 87 8.870 8.951 -0.081 1 1 733 . 13 1 1 A 60 60 PHE HA H 87 4.120 4.927 -0.807 1 1 741 . 13 1 1 A 60 60 PHE C C 87 175.620 174.986 0.634 1 1 742 . 13 1 1 A 60 60 PHE CA C 87 58.850 56.611 2.239 1 1 743 . 13 1 1 A 60 60 PHE CB C 87 39.910 41.072 -1.162 1 1 749 . 13 1 1 A 60 60 PHE N N 87 123.420 125.752 -2.332 1 1 750 . 13 1 1 A 61 61 ASN H H 88 8.610 9.469 -0.859 1 1 751 . 13 1 1 A 61 61 ASN HA H 88 4.900 5.258 -0.358 1 1 756 . 13 1 1 A 61 61 ASN C C 88 175.090 174.136 0.954 1 1 757 . 13 1 1 A 61 61 ASN CA C 88 52.690 51.972 0.718 1 1 758 . 13 1 1 A 61 61 ASN CB C 88 39.830 39.262 0.568 1 1 759 . 13 1 1 A 61 61 ASN N N 88 121.520 120.408 1.112 1 1 761 . 13 1 1 A 62 62 VAL H H 89 8.890 8.267 0.623 1 1 762 . 13 1 1 A 62 62 VAL HA H 89 4.820 4.543 0.277 1 1 770 . 13 1 1 A 62 62 VAL C C 89 174.650 174.780 -0.130 1 1 771 . 13 1 1 A 62 62 VAL CA C 89 60.870 61.843 -0.973 1 1 772 . 13 1 1 A 62 62 VAL CB C 89 34.690 33.188 1.502 1 1 775 . 13 1 1 A 62 62 VAL N N 89 123.750 122.404 1.346 1 1 776 . 13 1 1 A 63 63 LYS H H 90 8.750 9.230 -0.480 1 1 777 . 13 1 1 A 63 63 LYS HA H 90 4.670 5.036 -0.366 1 1 786 . 13 1 1 A 63 63 LYS C C 90 174.990 175.323 -0.333 1 1 787 . 13 1 1 A 63 63 LYS CA C 90 55.010 55.107 -0.097 1 1 788 . 13 1 1 A 63 63 LYS CB C 90 34.030 34.084 -0.054 1 1 792 . 13 1 1 A 63 63 LYS N N 90 126.210 127.890 -1.680 1 1 793 . 13 1 1 A 64 64 GLU H H 91 9.170 9.042 0.128 1 1 794 . 13 1 1 A 64 64 GLU HA H 91 5.020 5.270 -0.250 1 1 799 . 13 1 1 A 64 64 GLU C C 91 175.680 175.049 0.631 1 1 800 . 13 1 1 A 64 64 GLU CA C 91 54.400 54.855 -0.455 1 1 801 . 13 1 1 A 64 64 GLU CB C 91 32.690 33.562 -0.872 1 1 803 . 13 1 1 A 64 64 GLU N N 91 128.500 128.285 0.215 1 1 804 . 13 1 1 A 65 65 VAL H H 92 8.330 9.383 -1.053 1 1 805 . 13 1 1 A 65 65 VAL HA H 92 3.880 5.097 -1.217 1 1 813 . 13 1 1 A 65 65 VAL C C 92 175.940 174.754 1.186 1 1 814 . 13 1 1 A 65 65 VAL CA C 92 62.290 59.756 2.534 1 1 815 . 13 1 1 A 65 65 VAL CB C 92 32.080 34.844 -2.764 1 1 818 . 13 1 1 A 65 65 VAL N N 92 126.870 120.154 6.716 1 1 819 . 13 1 1 A 66 66 ASP H H 93 8.810 8.764 0.046 1 1 820 . 13 1 1 A 66 66 ASP HA H 93 4.440 5.452 -1.012 1 1 823 . 13 1 1 A 66 66 ASP C C 93 177.330 176.706 0.624 1 1 824 . 13 1 1 A 66 66 ASP CA C 93 55.950 52.849 3.101 1 1 825 . 13 1 1 A 66 66 ASP CB C 93 40.760 43.457 -2.697 1 1 826 . 13 1 1 A 66 66 ASP N N 93 130.720 121.539 9.181 1 1 827 . 13 1 1 A 67 67 GLY H H 94 8.910 8.866 0.044 1 1 828 . 13 1 1 A 67 67 GLY HA2 H 94 4.020 3.902 0.118 1 1 829 . 13 1 1 A 67 67 GLY HA3 H 94 3.820 3.908 -0.088 1 1 830 . 13 1 1 A 67 67 GLY C C 94 173.530 174.610 -1.080 1 1 831 . 13 1 1 A 67 67 GLY CA C 94 45.830 45.038 0.792 1 1 832 . 13 1 1 A 67 67 GLY N N 94 112.760 110.369 2.391 1 1 833 . 13 1 1 A 68 68 CYS H H 95 7.540 7.997 -0.457 1 1 834 . 13 1 1 A 68 68 CYS HA H 95 4.260 4.312 -0.052 1 1 837 . 13 1 1 A 68 68 CYS C C 95 175.640 175.193 0.447 1 1 838 . 13 1 1 A 68 68 CYS CA C 95 58.280 58.774 -0.494 1 1 839 . 13 1 1 A 68 68 CYS CB C 95 38.240 42.299 -4.059 1 1 840 . 13 1 1 A 68 68 CYS N N 95 119.700 119.908 -0.208 1 1 841 . 13 1 1 A 69 69 PHE H H 96 8.850 7.749 1.101 1 1 842 . 13 1 1 A 69 69 PHE HA H 96 5.010 4.595 0.415 1 1 850 . 13 1 1 A 69 69 PHE C C 96 177.330 175.294 2.036 1 1 851 . 13 1 1 A 69 69 PHE CA C 96 56.460 57.698 -1.238 1 1 852 . 13 1 1 A 69 69 PHE CB C 96 40.020 38.873 1.147 1 1 858 . 13 1 1 A 69 69 PHE N N 96 117.790 117.443 0.347 1 1 859 . 13 1 1 A 70 70 MET H H 97 8.710 8.229 0.481 1 1 860 . 13 1 1 A 70 70 MET HA H 97 4.700 4.161 0.539 1 1 868 . 13 1 1 A 70 70 MET C C 97 177.650 176.052 1.598 1 1 869 . 13 1 1 A 70 70 MET CA C 97 54.570 57.591 -3.021 1 1 870 . 13 1 1 A 70 70 MET CB C 97 33.990 31.419 2.571 1 1 873 . 13 1 1 A 70 70 MET N N 97 119.890 115.866 4.024 1 1 874 . 13 1 1 A 71 71 ASP H H 98 8.980 8.647 0.333 1 1 875 . 13 1 1 A 71 71 ASP HA H 98 4.280 4.846 -0.566 1 1 878 . 13 1 1 A 71 71 ASP C C 98 177.920 177.050 0.870 1 1 879 . 13 1 1 A 71 71 ASP CA C 98 58.380 55.378 3.002 1 1 880 . 13 1 1 A 71 71 ASP CB C 98 40.100 43.084 -2.984 1 1 881 . 13 1 1 A 71 71 ASP N N 98 123.440 124.873 -1.433 1 1 882 . 13 1 1 A 72 72 ALA H H 99 8.950 8.199 0.751 1 1 883 . 13 1 1 A 72 72 ALA HA H 99 4.030 4.117 -0.087 1 1 887 . 13 1 1 A 72 72 ALA C C 99 180.740 179.568 1.172 1 1 888 . 13 1 1 A 72 72 ALA CA C 99 55.020 54.382 0.638 1 1 889 . 13 1 1 A 72 72 ALA CB C 99 18.280 18.462 -0.182 1 1 890 . 13 1 1 A 72 72 ALA N N 99 119.200 122.125 -2.925 1 1 891 . 13 1 1 A 73 73 GLN H H 100 7.120 7.788 -0.668 1 1 892 . 13 1 1 A 73 73 GLN HA H 100 4.020 4.794 -0.774 1 1 899 . 13 1 1 A 73 73 GLN C C 100 176.880 178.008 -1.128 1 1 900 . 13 1 1 A 73 73 GLN CA C 100 57.720 58.763 -1.043 1 1 901 . 13 1 1 A 73 73 GLN CB C 100 28.940 28.438 0.502 1 1 903 . 13 1 1 A 73 73 GLN N N 100 115.380 118.110 -2.730 1 1 905 . 13 1 1 A 74 74 LYS H H 101 7.760 8.000 -0.240 1 1 906 . 13 1 1 A 74 74 LYS HA H 101 3.510 3.970 -0.460 1 1 915 . 13 1 1 A 74 74 LYS C C 101 177.610 178.517 -0.907 1 1 916 . 13 1 1 A 74 74 LYS CA C 101 58.500 59.227 -0.727 1 1 917 . 13 1 1 A 74 74 LYS CB C 101 31.790 32.373 -0.583 1 1 921 . 13 1 1 A 74 74 LYS N N 101 119.560 120.919 -1.359 1 1 922 . 13 1 1 A 75 75 ILE H H 102 7.760 8.256 -0.496 1 1 923 . 13 1 1 A 75 75 ILE HA H 102 3.750 3.613 0.137 1 1 933 . 13 1 1 A 75 75 ILE C C 102 178.530 177.694 0.836 1 1 934 . 13 1 1 A 75 75 ILE CA C 102 64.200 65.430 -1.230 1 1 935 . 13 1 1 A 75 75 ILE CB C 102 38.170 37.636 0.534 1 1 939 . 13 1 1 A 75 75 ILE N N 102 117.490 119.702 -2.212 1 1 940 . 13 1 1 A 76 76 ALA H H 103 7.090 8.722 -1.632 1 1 941 . 13 1 1 A 76 76 ALA HA H 103 3.990 3.837 0.153 1 1 945 . 13 1 1 A 76 76 ALA C C 103 178.650 180.060 -1.410 1 1 946 . 13 1 1 A 76 76 ALA CA C 103 55.020 55.161 -0.141 1 1 947 . 13 1 1 A 76 76 ALA CB C 103 18.570 18.489 0.081 1 1 948 . 13 1 1 A 76 76 ALA N N 103 121.190 121.909 -0.719 1 1 949 . 13 1 1 A 77 77 ILE H H 104 8.150 7.709 0.441 1 1 950 . 13 1 1 A 77 77 ILE HA H 104 3.420 3.422 -0.002 1 1 960 . 13 1 1 A 77 77 ILE C C 104 176.670 177.123 -0.453 1 1 961 . 13 1 1 A 77 77 ILE CA C 104 63.130 64.531 -1.401 1 1 962 . 13 1 1 A 77 77 ILE CB C 104 36.680 37.077 -0.397 1 1 966 . 13 1 1 A 77 77 ILE N N 104 119.240 118.300 0.940 1 1 967 . 13 1 1 A 78 78 ASP H H 105 8.290 8.578 -0.288 1 1 968 . 13 1 1 A 78 78 ASP HA H 105 4.440 4.202 0.238 1 1 971 . 13 1 1 A 78 78 ASP C C 105 180.350 178.578 1.772 1 1 972 . 13 1 1 A 78 78 ASP CA C 105 57.440 57.890 -0.450 1 1 973 . 13 1 1 A 78 78 ASP CB C 105 39.430 42.068 -2.638 1 1 974 . 13 1 1 A 78 78 ASP N N 105 121.080 121.503 -0.423 1 1 975 . 13 1 1 A 79 79 LYS H H 106 7.960 7.983 -0.023 1 1 976 . 13 1 1 A 79 79 LYS HA H 106 4.010 4.074 -0.064 1 1 985 . 13 1 1 A 79 79 LYS C C 106 178.580 179.020 -0.440 1 1 986 . 13 1 1 A 79 79 LYS CA C 106 59.780 59.317 0.463 1 1 987 . 13 1 1 A 79 79 LYS CB C 106 31.800 32.196 -0.396 1 1 991 . 13 1 1 A 79 79 LYS N N 106 121.340 118.630 2.710 1 1 992 . 13 1 1 A 80 80 LEU H H 107 8.230 8.245 -0.015 1 1 993 . 13 1 1 A 80 80 LEU HA H 107 3.990 4.183 -0.193 1 1 1003 . 13 1 1 A 80 80 LEU C C 107 178.230 178.557 -0.327 1 1 1004 . 13 1 1 A 80 80 LEU CA C 107 58.570 58.230 0.340 1 1 1005 . 13 1 1 A 80 80 LEU CB C 107 41.110 41.382 -0.272 1 1 1009 . 13 1 1 A 80 80 LEU N N 107 123.530 121.121 2.409 1 1 1010 . 13 1 1 A 81 81 PHE H H 108 8.050 8.696 -0.646 1 1 1011 . 13 1 1 A 81 81 PHE HA H 108 4.350 4.159 0.191 1 1 1019 . 13 1 1 A 81 81 PHE C C 108 179.570 177.982 1.588 1 1 1020 . 13 1 1 A 81 81 PHE CA C 108 61.070 60.463 0.607 1 1 1021 . 13 1 1 A 81 81 PHE CB C 108 37.010 37.805 -0.795 1 1 1027 . 13 1 1 A 81 81 PHE N N 108 116.720 118.174 -1.454 1 1 1028 . 13 1 1 A 82 82 SER H H 109 8.410 8.056 0.354 1 1 1029 . 13 1 1 A 82 82 SER HA H 109 4.360 4.258 0.102 1 1 1032 . 13 1 1 A 82 82 SER C C 109 176.200 177.462 -1.262 1 1 1033 . 13 1 1 A 82 82 SER CA C 109 61.830 61.375 0.455 1 1 1034 . 13 1 1 A 82 82 SER CB C 109 62.570 63.141 -0.571 1 1 1035 . 13 1 1 A 82 82 SER N N 109 118.120 115.801 2.319 1 1 1036 . 13 1 1 A 83 83 MET H H 110 8.420 8.209 0.211 1 1 1037 . 13 1 1 A 83 83 MET HA H 110 4.210 4.133 0.077 1 1 1043 . 13 1 1 A 83 83 MET C C 110 178.260 178.739 -0.479 1 1 1044 . 13 1 1 A 83 83 MET CA C 110 59.170 58.993 0.177 1 1 1045 . 13 1 1 A 83 83 MET CB C 110 31.240 32.778 -1.538 1 1 1047 . 13 1 1 A 83 83 MET N N 110 123.040 119.718 3.322 1 1 1048 . 13 1 1 A 84 84 LEU H H 111 8.080 8.126 -0.046 1 1 1049 . 13 1 1 A 84 84 LEU HA H 111 4.140 3.990 0.150 1 1 1059 . 13 1 1 A 84 84 LEU C C 111 178.030 178.765 -0.735 1 1 1060 . 13 1 1 A 84 84 LEU CA C 111 57.390 58.206 -0.816 1 1 1061 . 13 1 1 A 84 84 LEU CB C 111 41.430 41.669 -0.239 1 1 1065 . 13 1 1 A 84 84 LEU N N 111 117.910 119.822 -1.912 1 1 1066 . 13 1 1 A 85 85 LYS H H 112 7.640 7.662 -0.022 1 1 1067 . 13 1 1 A 85 85 LYS HA H 112 4.110 4.147 -0.037 1 1 1076 . 13 1 1 A 85 85 LYS C C 112 177.650 177.694 -0.044 1 1 1077 . 13 1 1 A 85 85 LYS CA C 112 58.750 59.020 -0.270 1 1 1078 . 13 1 1 A 85 85 LYS CB C 112 32.240 32.313 -0.073 1 1 1082 . 13 1 1 A 85 85 LYS N N 112 119.340 117.143 2.197 1 1 1083 . 13 1 1 A 86 86 ASP H H 113 7.350 7.772 -0.422 1 1 1084 . 13 1 1 A 86 86 ASP HA H 113 4.570 4.712 -0.142 1 1 1087 . 13 1 1 A 86 86 ASP C C 113 176.950 176.434 0.516 1 1 1088 . 13 1 1 A 86 86 ASP CA C 113 55.770 54.178 1.592 1 1 1089 . 13 1 1 A 86 86 ASP CB C 113 42.420 41.426 0.994 1 1 1090 . 13 1 1 A 86 86 ASP N N 113 117.210 117.520 -0.310 1 1 1091 . 13 1 1 A 87 87 GLY H H 114 7.760 7.889 -0.129 1 1 1092 . 13 1 1 A 87 87 GLY HA2 H 114 4.380 4.059 0.321 1 1 1093 . 13 1 1 A 87 87 GLY HA3 H 114 4.380 4.082 0.298 1 1 1094 . 13 1 1 A 87 87 GLY C C 114 173.000 174.083 -1.083 1 1 1095 . 13 1 1 A 87 87 GLY CA C 114 44.490 45.619 -1.129 1 1 1096 . 13 1 1 A 87 87 GLY N N 114 107.740 107.234 0.506 1 1 1097 . 13 1 1 A 88 88 VAL H H 115 9.350 8.463 0.887 1 1 1098 . 13 1 1 A 88 88 VAL HA H 115 4.960 4.699 0.261 1 1 1106 . 13 1 1 A 88 88 VAL C C 115 173.100 174.498 -1.398 1 1 1107 . 13 1 1 A 88 88 VAL CA C 115 58.650 62.360 -3.710 1 1 1108 . 13 1 1 A 88 88 VAL CB C 115 35.910 33.463 2.447 1 1 1111 . 13 1 1 A 88 88 VAL N N 115 118.050 123.460 -5.410 1 1 1112 . 13 1 1 A 89 89 VAL H H 116 9.000 9.698 -0.698 1 1 1113 . 13 1 1 A 89 89 VAL HA H 116 4.550 4.919 -0.369 1 1 1121 . 13 1 1 A 89 89 VAL C C 116 174.640 174.535 0.105 1 1 1122 . 13 1 1 A 89 89 VAL CA C 116 61.360 59.985 1.375 1 1 1123 . 13 1 1 A 89 89 VAL CB C 116 33.760 34.105 -0.345 1 1 1126 . 13 1 1 A 89 89 VAL N N 116 121.030 127.889 -6.859 1 1 1127 . 13 1 1 A 90 90 LEU H H 117 8.950 8.632 0.318 1 1 1128 . 13 1 1 A 90 90 LEU HA H 117 5.160 5.665 -0.505 1 1 1138 . 13 1 1 A 90 90 LEU C C 117 176.150 176.683 -0.533 1 1 1139 . 13 1 1 A 90 90 LEU CA C 117 52.230 54.561 -2.331 1 1 1140 . 13 1 1 A 90 90 LEU CB C 117 44.280 40.956 3.324 1 1 1144 . 13 1 1 A 90 90 LEU N N 117 125.420 129.009 -3.589 1 1 1145 . 13 1 1 A 91 91 LYS H H 118 8.280 8.387 -0.107 1 1 1146 . 13 1 1 A 91 91 LYS HA H 118 4.900 4.597 0.303 1 1 1155 . 13 1 1 A 91 91 LYS C C 118 175.300 175.426 -0.126 1 1 1156 . 13 1 1 A 91 91 LYS CA C 118 53.810 55.640 -1.830 1 1 1157 . 13 1 1 A 91 91 LYS CB C 118 36.840 36.617 0.223 1 1 1161 . 13 1 1 A 91 91 LYS N N 118 119.720 121.900 -2.180 1 1 1162 . 13 1 1 A 92 92 GLY H H 119 9.030 8.369 0.661 1 1 1163 . 13 1 1 A 92 92 GLY HA2 H 119 3.750 4.212 -0.462 1 1 1164 . 13 1 1 A 92 92 GLY HA3 H 119 3.750 4.216 -0.466 1 1 1165 . 13 1 1 A 92 92 GLY CA C 119 43.980 45.581 -1.601 1 1 1166 . 13 1 1 A 92 92 GLY N N 119 109.730 109.062 0.668 1 1 1167 . 13 1 1 A 94 94 LYS HA H 121 4.760 4.562 0.198 1 1 1168 . 13 1 1 A 95 95 ILE H H 122 7.700 7.434 0.266 1 1 1169 . 13 1 1 A 95 95 ILE HA H 122 4.160 4.758 -0.598 1 1 1179 . 13 1 1 A 95 95 ILE CA C 122 61.270 59.257 2.013 1 1 1180 . 13 1 1 A 95 95 ILE CB C 122 37.590 41.965 -4.375 1 1 1184 . 13 1 1 A 95 95 ILE N N 122 117.400 120.376 -2.976 1 1 1185 . 13 1 1 A 98 98 THR HA H 125 5.810 4.873 0.937 1 1 1190 . 13 1 1 A 98 98 THR CA C 125 61.740 61.099 0.641 1 1 1191 . 13 1 1 A 98 98 THR CB C 125 73.450 72.860 0.590 1 1 1193 . 13 1 1 A 99 99 ILE HA H 126 4.630 4.691 -0.061 1 1 1203 . 13 1 1 A 99 99 ILE C C 126 174.430 175.126 -0.696 1 1 1204 . 13 1 1 A 99 99 ILE CA C 126 59.980 59.884 0.096 1 1 1205 . 13 1 1 A 99 99 ILE CB C 126 40.970 39.446 1.524 1 1 1209 . 13 1 1 A 100 100 LEU H H 127 9.530 8.872 0.658 1 1 1210 . 13 1 1 A 100 100 LEU HA H 127 4.420 5.068 -0.648 1 1 1220 . 13 1 1 A 100 100 LEU C C 127 174.930 175.490 -0.560 1 1 1221 . 13 1 1 A 100 100 LEU CA C 127 54.030 53.658 0.372 1 1 1222 . 13 1 1 A 100 100 LEU CB C 127 42.520 45.101 -2.581 1 1 1226 . 13 1 1 A 100 100 LEU N N 127 127.300 126.190 1.110 1 1 1227 . 13 1 1 A 101 101 ILE H H 128 8.260 9.240 -0.980 1 1 1228 . 13 1 1 A 101 101 ILE HA H 128 4.320 4.626 -0.306 1 1 1238 . 13 1 1 A 101 101 ILE C C 128 173.880 174.494 -0.614 1 1 1239 . 13 1 1 A 101 101 ILE CA C 128 60.900 60.375 0.525 1 1 1240 . 13 1 1 A 101 101 ILE CB C 128 37.410 38.702 -1.292 1 1 1244 . 13 1 1 A 101 101 ILE N N 128 119.990 123.457 -3.467 1 1 1245 . 13 1 1 A 102 102 GLU H H 129 9.580 9.042 0.538 1 1 1246 . 13 1 1 A 102 102 GLU HA H 129 5.120 5.515 -0.395 1 1 1251 . 13 1 1 A 102 102 GLU C C 129 174.240 174.804 -0.564 1 1 1252 . 13 1 1 A 102 102 GLU CA C 129 54.050 54.861 -0.811 1 1 1253 . 13 1 1 A 102 102 GLU CB C 129 33.630 33.660 -0.030 1 1 1255 . 13 1 1 A 102 102 GLU N N 129 129.780 130.253 -0.473 1 1 1256 . 13 1 1 A 103 103 LYS H H 130 8.680 8.503 0.177 1 1 1257 . 13 1 1 A 103 103 LYS HA H 130 4.720 4.837 -0.117 1 1 1264 . 13 1 1 A 103 103 LYS C C 130 175.280 174.786 0.494 1 1 1265 . 13 1 1 A 103 103 LYS CA C 130 55.190 55.262 -0.072 1 1 1266 . 13 1 1 A 103 103 LYS CB C 130 36.750 35.815 0.935 1 1 1270 . 13 1 1 A 103 103 LYS N N 130 123.420 123.284 0.136 1 1 1271 . 13 1 1 A 104 104 ASP H H 131 9.530 9.284 0.246 1 1 1272 . 13 1 1 A 104 104 ASP HA H 131 4.290 4.381 -0.091 1 1 1275 . 13 1 1 A 104 104 ASP C C 131 176.090 176.439 -0.349 1 1 1276 . 13 1 1 A 104 104 ASP CA C 131 55.370 55.337 0.033 1 1 1277 . 13 1 1 A 104 104 ASP CB C 131 39.260 39.362 -0.102 1 1 1278 . 13 1 1 A 104 104 ASP N N 131 127.440 120.277 7.163 1 1 1279 . 13 1 1 A 105 105 GLY H H 132 8.970 8.708 0.262 1 1 1280 . 13 1 1 A 105 105 GLY HA2 H 132 4.090 3.881 0.209 1 1 1281 . 13 1 1 A 105 105 GLY HA3 H 132 3.550 3.882 -0.332 1 1 1282 . 13 1 1 A 105 105 GLY C C 132 173.130 173.465 -0.335 1 1 1283 . 13 1 1 A 105 105 GLY CA C 132 45.230 45.790 -0.560 1 1 1284 . 13 1 1 A 105 105 GLY N N 132 103.820 104.742 -0.922 1 1 1285 . 13 1 1 A 106 106 GLU H H 133 7.720 7.600 0.120 1 1 1286 . 13 1 1 A 106 106 GLU HA H 133 4.720 4.775 -0.055 1 1 1291 . 13 1 1 A 106 106 GLU C C 133 174.940 174.220 0.720 1 1 1292 . 13 1 1 A 106 106 GLU CA C 133 53.770 54.614 -0.844 1 1 1293 . 13 1 1 A 106 106 GLU CB C 133 32.820 32.106 0.714 1 1 1295 . 13 1 1 A 106 106 GLU N N 133 120.200 115.651 4.549 1 1 1296 . 13 1 1 A 107 107 VAL H H 134 8.900 8.791 0.109 1 1 1297 . 13 1 1 A 107 107 VAL HA H 134 3.760 4.327 -0.567 1 1 1305 . 13 1 1 A 107 107 VAL C C 134 175.340 176.044 -0.704 1 1 1306 . 13 1 1 A 107 107 VAL CA C 134 64.230 61.864 2.366 1 1 1307 . 13 1 1 A 107 107 VAL CB C 134 31.160 32.516 -1.356 1 1 1310 . 13 1 1 A 107 107 VAL N N 134 125.990 122.515 3.475 1 1 1311 . 13 1 1 A 108 108 LYS H H 135 9.250 8.621 0.629 1 1 1312 . 13 1 1 A 108 108 LYS HA H 135 4.810 4.547 0.263 1 1 1321 . 13 1 1 A 108 108 LYS C C 135 174.390 175.651 -1.261 1 1 1322 . 13 1 1 A 108 108 LYS CA C 135 54.740 55.819 -1.079 1 1 1323 . 13 1 1 A 108 108 LYS CB C 135 34.690 33.848 0.842 1 1 1327 . 13 1 1 A 108 108 LYS N N 135 126.060 124.213 1.847 1 1 1328 . 13 1 1 A 109 109 LEU H H 136 7.690 7.199 0.491 1 1 1329 . 13 1 1 A 109 109 LEU HA H 136 4.820 5.314 -0.494 1 1 1339 . 13 1 1 A 109 109 LEU C C 136 172.450 174.508 -2.058 1 1 1340 . 13 1 1 A 109 109 LEU CA C 136 53.250 53.675 -0.425 1 1 1341 . 13 1 1 A 109 109 LEU CB C 136 47.800 45.327 2.473 1 1 1345 . 13 1 1 A 109 109 LEU N N 136 116.670 119.927 -3.257 1 1 1346 . 13 1 1 A 110 110 LYS H H 137 9.170 8.728 0.442 1 1 1347 . 13 1 1 A 110 110 LYS HA H 137 5.050 4.885 0.165 1 1 1356 . 13 1 1 A 110 110 LYS C C 137 172.760 174.912 -2.152 1 1 1357 . 13 1 1 A 110 110 LYS CA C 137 54.090 54.707 -0.617 1 1 1358 . 13 1 1 A 110 110 LYS CB C 137 36.560 36.907 -0.347 1 1 1362 . 13 1 1 A 110 110 LYS N N 137 117.050 122.041 -4.991 1 1 1363 . 13 1 1 A 111 111 LEU H H 138 9.400 8.862 0.538 1 1 1364 . 13 1 1 A 111 111 LEU HA H 138 5.250 4.907 0.343 1 1 1374 . 13 1 1 A 111 111 LEU C C 138 176.470 176.641 -0.171 1 1 1375 . 13 1 1 A 111 111 LEU CA C 138 52.230 53.769 -1.539 1 1 1376 . 13 1 1 A 111 111 LEU CB C 138 42.810 41.825 0.985 1 1 1380 . 13 1 1 A 111 111 LEU N N 138 121.800 121.325 0.475 1 1 1381 . 13 1 1 A 112 112 ILE H H 139 9.080 9.228 -0.148 1 1 1382 . 13 1 1 A 112 112 ILE HA H 139 5.420 4.369 1.051 1 1 1392 . 13 1 1 A 112 112 ILE C C 139 175.710 174.392 1.318 1 1 1393 . 13 1 1 A 112 112 ILE CA C 139 59.170 62.785 -3.615 1 1 1394 . 13 1 1 A 112 112 ILE CB C 139 41.010 37.064 3.946 1 1 1398 . 13 1 1 A 112 112 ILE N N 139 120.350 120.000 0.350 1 1 1399 . 13 1 1 A 113 113 ARG H H 140 8.550 8.643 -0.093 1 1 1400 . 13 1 1 A 113 113 ARG HA H 140 3.940 4.410 -0.470 1 1 1403 . 13 1 1 A 113 113 ARG C C 140 176.030 175.380 0.650 1 1 1404 . 13 1 1 A 113 113 ARG CA C 140 56.180 55.087 1.093 1 1 1405 . 13 1 1 A 113 113 ARG CB C 140 30.770 28.774 1.996 1 1 1408 . 13 1 1 A 113 113 ARG N N 140 127.710 127.123 0.587 1 1 1409 . 13 1 1 A 114 114 GLY H H 141 8.530 8.510 0.020 1 1 1410 . 13 1 1 A 114 114 GLY HA2 H 141 4.000 4.059 -0.059 1 1 1411 . 13 1 1 A 114 114 GLY HA3 H 141 3.820 4.062 -0.242 1 1 1412 . 13 1 1 A 114 114 GLY C C 141 172.650 174.527 -1.877 1 1 1413 . 13 1 1 A 114 114 GLY CA C 141 45.100 44.429 0.671 1 1 1414 . 13 1 1 A 114 114 GLY N N 141 111.410 111.995 -0.585 1 1 1 . 14 1 1 A 2 2 SER HA H 29 4.540 4.559 -0.019 1 1 4 . 14 1 1 A 2 2 SER C C 29 174.370 172.995 1.375 1 1 5 . 14 1 1 A 2 2 SER CA C 29 58.380 57.614 0.766 1 1 6 . 14 1 1 A 2 2 SER CB C 29 63.670 61.606 2.064 1 1 7 . 14 1 1 A 3 3 SER H H 30 8.530 8.327 0.203 1 1 8 . 14 1 1 A 3 3 SER HA H 30 4.480 5.550 -1.070 1 1 11 . 14 1 1 A 3 3 SER C C 30 174.610 172.627 1.983 1 1 12 . 14 1 1 A 3 3 SER CA C 30 58.380 57.707 0.673 1 1 13 . 14 1 1 A 3 3 SER CB C 30 63.690 65.158 -1.468 1 1 14 . 14 1 1 A 3 3 SER N N 30 117.760 117.520 0.240 1 1 15 . 14 1 1 A 4 4 ASN H H 31 8.600 9.327 -0.727 1 1 16 . 14 1 1 A 4 4 ASN HA H 31 4.710 4.842 -0.132 1 1 21 . 14 1 1 A 4 4 ASN C C 31 175.840 174.867 0.973 1 1 22 . 14 1 1 A 4 4 ASN CA C 31 53.880 54.679 -0.799 1 1 23 . 14 1 1 A 4 4 ASN CB C 31 38.520 40.562 -2.042 1 1 24 . 14 1 1 A 4 4 ASN N N 31 120.910 122.818 -1.908 1 1 26 . 14 1 1 A 5 5 SER H H 32 8.360 8.309 0.051 1 1 27 . 14 1 1 A 5 5 SER HA H 32 4.420 4.370 0.050 1 1 30 . 14 1 1 A 5 5 SER C C 32 174.700 175.079 -0.379 1 1 31 . 14 1 1 A 5 5 SER CA C 32 59.310 60.090 -0.780 1 1 32 . 14 1 1 A 5 5 SER CB C 32 63.410 62.913 0.497 1 1 33 . 14 1 1 A 5 5 SER N N 32 115.920 115.518 0.402 1 1 34 . 14 1 1 A 6 6 GLU H H 33 8.370 8.646 -0.276 1 1 35 . 14 1 1 A 6 6 GLU HA H 33 4.530 3.928 0.602 1 1 40 . 14 1 1 A 6 6 GLU C C 33 176.390 175.225 1.165 1 1 41 . 14 1 1 A 6 6 GLU CA C 33 56.510 57.621 -1.111 1 1 42 . 14 1 1 A 6 6 GLU CB C 33 29.850 27.768 2.082 1 1 44 . 14 1 1 A 6 6 GLU N N 33 121.670 122.641 -0.971 1 1 45 . 14 1 1 A 7 7 LYS H H 34 8.120 7.822 0.298 1 1 46 . 14 1 1 A 7 7 LYS HA H 34 4.370 4.136 0.234 1 1 55 . 14 1 1 A 7 7 LYS C C 34 176.060 174.905 1.155 1 1 56 . 14 1 1 A 7 7 LYS CA C 34 56.140 54.725 1.415 1 1 57 . 14 1 1 A 7 7 LYS CB C 34 33.200 31.845 1.355 1 1 61 . 14 1 1 A 7 7 LYS N N 34 121.020 119.406 1.614 1 1 62 . 14 1 1 A 8 8 GLU H H 35 8.550 8.492 0.058 1 1 63 . 14 1 1 A 8 8 GLU HA H 35 4.830 4.492 0.338 1 1 68 . 14 1 1 A 8 8 GLU C C 35 175.050 175.652 -0.602 1 1 69 . 14 1 1 A 8 8 GLU CA C 35 56.390 55.697 0.693 1 1 70 . 14 1 1 A 8 8 GLU CB C 35 31.340 29.237 2.103 1 1 72 . 14 1 1 A 8 8 GLU N N 35 122.450 124.868 -2.418 1 1 73 . 14 1 1 A 9 9 TRP H H 36 9.680 9.210 0.470 1 1 74 . 14 1 1 A 9 9 TRP HA H 36 4.860 4.996 -0.136 1 1 80 . 14 1 1 A 9 9 TRP C C 36 175.390 176.005 -0.615 1 1 81 . 14 1 1 A 9 9 TRP CA C 36 55.890 57.265 -1.375 1 1 82 . 14 1 1 A 9 9 TRP CB C 36 30.810 30.159 0.651 1 1 85 . 14 1 1 A 9 9 TRP N N 36 122.800 127.020 -4.220 1 1 87 . 14 1 1 A 10 10 HIS H H 37 9.690 9.193 0.497 1 1 88 . 14 1 1 A 10 10 HIS HA H 37 4.990 4.920 0.070 1 1 93 . 14 1 1 A 10 10 HIS C C 37 174.840 174.537 0.303 1 1 94 . 14 1 1 A 10 10 HIS CA C 37 54.720 55.861 -1.141 1 1 95 . 14 1 1 A 10 10 HIS CB C 37 29.840 29.521 0.319 1 1 98 . 14 1 1 A 10 10 HIS N N 37 120.400 123.035 -2.635 1 1 99 . 14 1 1 A 11 11 ILE H H 38 7.740 8.331 -0.591 1 1 100 . 14 1 1 A 11 11 ILE HA H 38 4.360 4.788 -0.428 1 1 110 . 14 1 1 A 11 11 ILE C C 38 175.030 175.506 -0.476 1 1 111 . 14 1 1 A 11 11 ILE CA C 38 62.110 62.377 -0.267 1 1 112 . 14 1 1 A 11 11 ILE CB C 38 37.590 37.704 -0.114 1 1 116 . 14 1 1 A 11 11 ILE N N 38 121.700 125.318 -3.618 1 1 117 . 14 1 1 A 12 12 VAL H H 39 9.370 9.199 0.171 1 1 118 . 14 1 1 A 12 12 VAL HA H 39 4.690 4.530 0.160 1 1 126 . 14 1 1 A 12 12 VAL CA C 39 58.500 58.548 -0.048 1 1 127 . 14 1 1 A 12 12 VAL CB C 39 34.970 34.585 0.385 1 1 130 . 14 1 1 A 12 12 VAL N N 39 130.310 127.463 2.847 1 1 131 . 14 1 1 A 13 13 PRO HA H 40 4.470 4.867 -0.397 1 1 138 . 14 1 1 A 13 13 PRO C C 40 175.070 176.136 -1.066 1 1 139 . 14 1 1 A 13 13 PRO CA C 40 63.130 62.047 1.083 1 1 140 . 14 1 1 A 13 13 PRO CB C 40 33.580 32.031 1.549 1 1 143 . 14 1 1 A 14 14 VAL H H 41 7.970 8.890 -0.920 1 1 144 . 14 1 1 A 14 14 VAL HA H 41 4.170 3.933 0.237 1 1 152 . 14 1 1 A 14 14 VAL C C 41 175.360 176.074 -0.714 1 1 153 . 14 1 1 A 14 14 VAL CA C 41 63.600 63.433 0.167 1 1 154 . 14 1 1 A 14 14 VAL CB C 41 34.050 32.476 1.574 1 1 157 . 14 1 1 A 14 14 VAL N N 41 119.000 118.285 0.715 1 1 158 . 14 1 1 A 15 15 SER H H 42 8.040 7.710 0.330 1 1 159 . 14 1 1 A 15 15 SER HA H 42 4.530 4.368 0.162 1 1 162 . 14 1 1 A 15 15 SER C C 42 176.240 174.500 1.740 1 1 163 . 14 1 1 A 15 15 SER CA C 42 57.620 57.683 -0.063 1 1 164 . 14 1 1 A 15 15 SER CB C 42 64.250 64.599 -0.349 1 1 165 . 14 1 1 A 15 15 SER N N 42 113.900 115.721 -1.821 1 1 166 . 14 1 1 A 16 16 LYS H H 43 8.690 8.947 -0.257 1 1 167 . 14 1 1 A 16 16 LYS HA H 43 2.830 4.127 -1.297 1 1 176 . 14 1 1 A 16 16 LYS C C 43 177.790 178.627 -0.837 1 1 177 . 14 1 1 A 16 16 LYS CA C 43 58.100 59.544 -1.444 1 1 178 . 14 1 1 A 16 16 LYS CB C 43 31.840 32.285 -0.445 1 1 182 . 14 1 1 A 16 16 LYS N N 43 124.940 126.651 -1.711 1 1 183 . 14 1 1 A 17 17 ASP H H 44 8.590 8.017 0.573 1 1 184 . 14 1 1 A 17 17 ASP HA H 44 4.100 4.413 -0.313 1 1 187 . 14 1 1 A 17 17 ASP C C 44 176.670 177.042 -0.372 1 1 188 . 14 1 1 A 17 17 ASP CA C 44 55.580 56.427 -0.847 1 1 189 . 14 1 1 A 17 17 ASP CB C 44 39.300 41.112 -1.812 1 1 190 . 14 1 1 A 17 17 ASP N N 44 118.140 118.994 -0.854 1 1 191 . 14 1 1 A 18 18 TYR H H 45 7.870 7.490 0.380 1 1 192 . 14 1 1 A 18 18 TYR HA H 45 4.550 4.627 -0.077 1 1 199 . 14 1 1 A 18 18 TYR C C 45 174.860 176.611 -1.751 1 1 200 . 14 1 1 A 18 18 TYR CA C 45 58.510 57.833 0.677 1 1 201 . 14 1 1 A 18 18 TYR CB C 45 39.470 38.676 0.794 1 1 206 . 14 1 1 A 18 18 TYR N N 45 115.260 116.919 -1.659 1 1 207 . 14 1 1 A 19 19 PHE H H 46 7.430 7.852 -0.422 1 1 208 . 14 1 1 A 19 19 PHE HA H 46 4.360 4.434 -0.074 1 1 215 . 14 1 1 A 19 19 PHE C C 46 176.950 176.686 0.264 1 1 216 . 14 1 1 A 19 19 PHE CA C 46 59.340 60.828 -1.488 1 1 217 . 14 1 1 A 19 19 PHE CB C 46 37.870 37.961 -0.091 1 1 222 . 14 1 1 A 19 19 PHE N N 46 120.020 120.991 -0.971 1 1 223 . 14 1 1 A 20 20 SER H H 47 8.620 7.862 0.758 1 1 224 . 14 1 1 A 20 20 SER HA H 47 4.430 4.468 -0.038 1 1 227 . 14 1 1 A 20 20 SER C C 47 173.980 174.961 -0.981 1 1 228 . 14 1 1 A 20 20 SER CA C 47 58.660 59.248 -0.588 1 1 229 . 14 1 1 A 20 20 SER CB C 47 62.850 63.750 -0.900 1 1 230 . 14 1 1 A 20 20 SER N N 47 111.500 112.523 -1.023 1 1 231 . 14 1 1 A 21 21 ILE H H 48 7.660 7.735 -0.075 1 1 232 . 14 1 1 A 21 21 ILE HA H 48 4.110 4.186 -0.076 1 1 242 . 14 1 1 A 21 21 ILE CA C 48 59.780 60.622 -0.842 1 1 243 . 14 1 1 A 21 21 ILE CB C 48 38.330 37.951 0.379 1 1 247 . 14 1 1 A 21 21 ILE N N 48 119.380 126.070 -6.690 1 1 248 . 14 1 1 A 22 22 PRO HA H 49 4.500 4.531 -0.031 1 1 255 . 14 1 1 A 22 22 PRO C C 49 176.110 177.508 -1.398 1 1 256 . 14 1 1 A 22 22 PRO CA C 49 62.880 62.556 0.324 1 1 257 . 14 1 1 A 22 22 PRO CB C 49 32.570 33.312 -0.742 1 1 260 . 14 1 1 A 23 23 ASN H H 50 8.630 8.815 -0.185 1 1 261 . 14 1 1 A 23 23 ASN HA H 50 4.800 4.522 0.278 1 1 266 . 14 1 1 A 23 23 ASN C C 50 176.580 174.963 1.617 1 1 267 . 14 1 1 A 23 23 ASN CA C 50 53.610 56.201 -2.591 1 1 268 . 14 1 1 A 23 23 ASN CB C 50 38.490 38.828 -0.338 1 1 269 . 14 1 1 A 23 23 ASN N N 50 117.590 118.614 -1.024 1 1 271 . 14 1 1 A 24 24 ASP H H 51 8.580 7.835 0.745 1 1 272 . 14 1 1 A 24 24 ASP HA H 51 4.760 4.915 -0.155 1 1 275 . 14 1 1 A 24 24 ASP C C 51 175.090 173.958 1.132 1 1 276 . 14 1 1 A 24 24 ASP CA C 51 52.500 54.227 -1.727 1 1 277 . 14 1 1 A 24 24 ASP CB C 51 39.840 42.496 -2.656 1 1 278 . 14 1 1 A 24 24 ASP N N 51 120.490 117.758 2.732 1 1 279 . 14 1 1 A 25 25 LEU H H 52 8.400 9.017 -0.617 1 1 280 . 14 1 1 A 25 25 LEU HA H 52 4.390 5.129 -0.739 1 1 290 . 14 1 1 A 25 25 LEU C C 52 176.340 175.423 0.917 1 1 291 . 14 1 1 A 25 25 LEU CA C 52 55.460 53.585 1.875 1 1 292 . 14 1 1 A 25 25 LEU CB C 52 43.270 43.292 -0.022 1 1 296 . 14 1 1 A 25 25 LEU N N 52 119.530 126.957 -7.427 1 1 297 . 14 1 1 A 26 26 LEU H H 53 8.840 9.490 -0.650 1 1 298 . 14 1 1 A 26 26 LEU HA H 53 5.140 4.966 0.174 1 1 308 . 14 1 1 A 26 26 LEU C C 53 174.620 175.101 -0.481 1 1 309 . 14 1 1 A 26 26 LEU CA C 53 52.840 53.050 -0.210 1 1 310 . 14 1 1 A 26 26 LEU CB C 53 44.070 42.857 1.213 1 1 314 . 14 1 1 A 26 26 LEU N N 53 126.610 124.035 2.575 1 1 315 . 14 1 1 A 27 27 TRP H H 54 9.230 9.491 -0.261 1 1 316 . 14 1 1 A 27 27 TRP HA H 54 5.570 5.240 0.330 1 1 325 . 14 1 1 A 27 27 TRP C C 54 175.740 174.883 0.857 1 1 326 . 14 1 1 A 27 27 TRP CA C 54 54.510 55.520 -1.010 1 1 327 . 14 1 1 A 27 27 TRP CB C 54 31.710 32.889 -1.179 1 1 333 . 14 1 1 A 27 27 TRP N N 54 122.650 128.337 -5.687 1 1 335 . 14 1 1 A 28 28 SER H H 55 9.240 9.186 0.054 1 1 336 . 14 1 1 A 28 28 SER HA H 55 5.490 5.463 0.027 1 1 339 . 14 1 1 A 28 28 SER C C 55 173.440 173.084 0.356 1 1 340 . 14 1 1 A 28 28 SER CA C 55 56.990 57.086 -0.096 1 1 341 . 14 1 1 A 28 28 SER CB C 55 66.150 65.676 0.474 1 1 342 . 14 1 1 A 28 28 SER N N 55 121.970 122.476 -0.506 1 1 343 . 14 1 1 A 29 29 PHE H H 56 9.590 9.514 0.076 1 1 344 . 14 1 1 A 29 29 PHE HA H 56 5.150 4.938 0.212 1 1 352 . 14 1 1 A 29 29 PHE C C 56 175.810 175.433 0.377 1 1 353 . 14 1 1 A 29 29 PHE CA C 56 57.180 59.281 -2.101 1 1 354 . 14 1 1 A 29 29 PHE CB C 56 42.370 39.360 3.010 1 1 360 . 14 1 1 A 29 29 PHE N N 56 121.420 125.668 -4.248 1 1 361 . 14 1 1 A 30 30 ASN H H 57 9.400 9.155 0.245 1 1 362 . 14 1 1 A 30 30 ASN HA H 57 5.220 4.980 0.240 1 1 367 . 14 1 1 A 30 30 ASN C C 57 176.540 176.223 0.317 1 1 368 . 14 1 1 A 30 30 ASN CA C 57 52.320 51.682 0.638 1 1 369 . 14 1 1 A 30 30 ASN CB C 57 38.520 38.268 0.252 1 1 370 . 14 1 1 A 30 30 ASN N N 57 120.660 123.716 -3.056 1 1 372 . 14 1 1 A 31 31 THR H H 58 9.180 8.749 0.431 1 1 373 . 14 1 1 A 31 31 THR HA H 58 4.800 4.733 0.067 1 1 378 . 14 1 1 A 31 31 THR C C 58 176.950 175.060 1.890 1 1 379 . 14 1 1 A 31 31 THR CA C 58 63.430 62.669 0.761 1 1 380 . 14 1 1 A 31 31 THR CB C 58 68.110 69.464 -1.354 1 1 382 . 14 1 1 A 31 31 THR N N 58 114.630 117.920 -3.290 1 1 383 . 14 1 1 A 32 32 THR H H 59 8.450 7.884 0.566 1 1 384 . 14 1 1 A 32 32 THR HA H 59 4.130 4.287 -0.157 1 1 389 . 14 1 1 A 32 32 THR C C 59 175.130 176.013 -0.883 1 1 390 . 14 1 1 A 32 32 THR CA C 59 65.550 64.352 1.198 1 1 391 . 14 1 1 A 32 32 THR CB C 59 68.200 69.558 -1.358 1 1 393 . 14 1 1 A 32 32 THR N N 59 120.020 116.191 3.829 1 1 394 . 14 1 1 A 33 33 ASN H H 60 7.500 7.772 -0.272 1 1 395 . 14 1 1 A 33 33 ASN HA H 60 4.690 4.827 -0.137 1 1 400 . 14 1 1 A 33 33 ASN C C 60 174.230 174.861 -0.631 1 1 401 . 14 1 1 A 33 33 ASN CA C 60 51.650 51.929 -0.279 1 1 402 . 14 1 1 A 33 33 ASN CB C 60 37.870 38.099 -0.229 1 1 403 . 14 1 1 A 33 33 ASN N N 60 117.490 113.902 3.588 1 1 405 . 14 1 1 A 34 34 LYS H H 61 7.580 7.659 -0.079 1 1 406 . 14 1 1 A 34 34 LYS HA H 61 3.500 4.256 -0.756 1 1 415 . 14 1 1 A 34 34 LYS C C 61 172.880 175.102 -2.222 1 1 416 . 14 1 1 A 34 34 LYS CA C 61 57.160 57.273 -0.113 1 1 417 . 14 1 1 A 34 34 LYS CB C 61 28.540 29.711 -1.171 1 1 421 . 14 1 1 A 34 34 LYS N N 61 118.030 115.294 2.736 1 1 422 . 14 1 1 A 35 35 SER H H 62 8.560 8.216 0.344 1 1 423 . 14 1 1 A 35 35 SER HA H 62 5.670 5.076 0.594 1 1 426 . 14 1 1 A 35 35 SER C C 62 173.510 173.061 0.449 1 1 427 . 14 1 1 A 35 35 SER CA C 62 56.110 56.897 -0.787 1 1 428 . 14 1 1 A 35 35 SER CB C 62 67.800 66.177 1.623 1 1 429 . 14 1 1 A 35 35 SER N N 62 109.720 110.444 -0.724 1 1 430 . 14 1 1 A 36 36 ILE H H 63 8.750 9.211 -0.461 1 1 431 . 14 1 1 A 36 36 ILE HA H 63 4.940 4.588 0.352 1 1 441 . 14 1 1 A 36 36 ILE C C 63 174.660 175.054 -0.394 1 1 442 . 14 1 1 A 36 36 ILE CA C 63 58.180 60.547 -2.367 1 1 443 . 14 1 1 A 36 36 ILE CB C 63 40.660 37.745 2.915 1 1 447 . 14 1 1 A 36 36 ILE N N 63 117.490 123.506 -6.016 1 1 448 . 14 1 1 A 37 37 ASN H H 64 8.400 9.043 -0.643 1 1 449 . 14 1 1 A 37 37 ASN HA H 64 5.650 5.610 0.040 1 1 454 . 14 1 1 A 37 37 ASN C C 64 173.490 174.502 -1.012 1 1 455 . 14 1 1 A 37 37 ASN CA C 64 51.670 51.962 -0.292 1 1 456 . 14 1 1 A 37 37 ASN CB C 64 41.900 40.902 0.998 1 1 457 . 14 1 1 A 37 37 ASN N N 64 122.180 125.229 -3.049 1 1 459 . 14 1 1 A 38 38 VAL H H 65 8.900 9.244 -0.344 1 1 460 . 14 1 1 A 38 38 VAL HA H 65 5.540 4.825 0.715 1 1 468 . 14 1 1 A 38 38 VAL C C 65 174.590 175.019 -0.429 1 1 469 . 14 1 1 A 38 38 VAL CA C 65 60.060 61.034 -0.974 1 1 470 . 14 1 1 A 38 38 VAL CB C 65 34.870 32.904 1.966 1 1 473 . 14 1 1 A 38 38 VAL N N 65 122.060 125.812 -3.752 1 1 474 . 14 1 1 A 39 39 TYR H H 66 8.910 8.908 0.002 1 1 475 . 14 1 1 A 39 39 TYR HA H 66 5.490 5.852 -0.362 1 1 482 . 14 1 1 A 39 39 TYR C C 66 172.810 173.477 -0.667 1 1 483 . 14 1 1 A 39 39 TYR CA C 66 56.220 55.654 0.566 1 1 484 . 14 1 1 A 39 39 TYR CB C 66 40.620 42.293 -1.673 1 1 489 . 14 1 1 A 39 39 TYR N N 66 123.530 124.287 -0.757 1 1 490 . 14 1 1 A 40 40 SER H H 67 8.970 9.281 -0.311 1 1 491 . 14 1 1 A 40 40 SER HA H 67 4.780 4.887 -0.107 1 1 495 . 14 1 1 A 40 40 SER C C 67 174.360 174.886 -0.526 1 1 496 . 14 1 1 A 40 40 SER CA C 67 56.580 56.799 -0.219 1 1 497 . 14 1 1 A 40 40 SER CB C 67 66.290 65.601 0.689 1 1 498 . 14 1 1 A 40 40 SER N N 67 115.210 114.473 0.737 1 1 499 . 14 1 1 A 41 41 LYS H H 68 9.020 8.711 0.309 1 1 500 . 14 1 1 A 41 41 LYS HA H 68 4.210 3.894 0.316 1 1 509 . 14 1 1 A 41 41 LYS C C 68 177.730 177.336 0.394 1 1 510 . 14 1 1 A 41 41 LYS CA C 68 59.240 59.709 -0.469 1 1 511 . 14 1 1 A 41 41 LYS CB C 68 31.660 31.884 -0.224 1 1 515 . 14 1 1 A 41 41 LYS N N 68 118.790 118.428 0.362 1 1 516 . 14 1 1 A 42 42 CYS H H 69 8.090 7.365 0.725 1 1 517 . 14 1 1 A 42 42 CYS HA H 69 4.750 4.732 0.018 1 1 520 . 14 1 1 A 42 42 CYS C C 69 173.260 173.587 -0.327 1 1 521 . 14 1 1 A 42 42 CYS CA C 69 52.780 56.281 -3.501 1 1 522 . 14 1 1 A 42 42 CYS CB C 69 39.470 44.479 -5.009 1 1 523 . 14 1 1 A 42 42 CYS N N 69 113.650 114.613 -0.963 1 1 524 . 14 1 1 A 43 43 ILE H H 70 7.550 7.588 -0.038 1 1 525 . 14 1 1 A 43 43 ILE HA H 70 5.210 5.216 -0.006 1 1 535 . 14 1 1 A 43 43 ILE C C 70 171.870 174.508 -2.638 1 1 536 . 14 1 1 A 43 43 ILE CA C 70 59.800 60.222 -0.422 1 1 537 . 14 1 1 A 43 43 ILE CB C 70 42.550 41.496 1.054 1 1 541 . 14 1 1 A 43 43 ILE N N 70 118.580 122.217 -3.637 1 1 542 . 14 1 1 A 44 44 SER H H 71 8.190 8.584 -0.394 1 1 543 . 14 1 1 A 44 44 SER HA H 71 5.190 5.367 -0.177 1 1 546 . 14 1 1 A 44 44 SER C C 71 173.790 173.080 0.710 1 1 547 . 14 1 1 A 44 44 SER CA C 71 56.980 58.109 -1.129 1 1 548 . 14 1 1 A 44 44 SER CB C 71 64.910 65.350 -0.440 1 1 549 . 14 1 1 A 44 44 SER N N 71 117.640 121.843 -4.203 1 1 550 . 14 1 1 A 45 45 GLY H H 72 9.720 9.416 0.304 1 1 551 . 14 1 1 A 45 45 GLY HA2 H 72 5.280 4.377 0.903 1 1 552 . 14 1 1 A 45 45 GLY HA3 H 72 3.460 4.420 -0.960 1 1 553 . 14 1 1 A 45 45 GLY C C 72 171.300 172.642 -1.342 1 1 554 . 14 1 1 A 45 45 GLY CA C 72 45.230 44.551 0.679 1 1 555 . 14 1 1 A 45 45 GLY N N 72 114.160 113.492 0.668 1 1 556 . 14 1 1 A 46 46 LYS H H 73 8.340 8.491 -0.151 1 1 557 . 14 1 1 A 46 46 LYS HA H 73 5.530 5.611 -0.081 1 1 566 . 14 1 1 A 46 46 LYS C C 73 174.510 175.383 -0.873 1 1 567 . 14 1 1 A 46 46 LYS CA C 73 54.930 54.958 -0.028 1 1 568 . 14 1 1 A 46 46 LYS CB C 73 36.420 34.286 2.134 1 1 572 . 14 1 1 A 46 46 LYS N N 73 123.520 119.543 3.977 1 1 573 . 14 1 1 A 47 47 ALA H H 74 8.440 8.268 0.172 1 1 574 . 14 1 1 A 47 47 ALA HA H 74 4.400 4.997 -0.597 1 1 578 . 14 1 1 A 47 47 ALA C C 74 175.850 175.874 -0.024 1 1 579 . 14 1 1 A 47 47 ALA CA C 74 49.860 51.026 -1.166 1 1 580 . 14 1 1 A 47 47 ALA CB C 74 20.750 22.494 -1.744 1 1 581 . 14 1 1 A 47 47 ALA N N 74 125.710 120.891 4.819 1 1 582 . 14 1 1 A 48 48 VAL H H 75 7.840 8.158 -0.318 1 1 583 . 14 1 1 A 48 48 VAL HA H 75 4.640 4.315 0.325 1 1 591 . 14 1 1 A 48 48 VAL C C 75 176.660 175.318 1.342 1 1 592 . 14 1 1 A 48 48 VAL CA C 75 61.160 61.213 -0.053 1 1 593 . 14 1 1 A 48 48 VAL CB C 75 32.180 33.136 -0.956 1 1 596 . 14 1 1 A 48 48 VAL N N 75 120.660 119.004 1.656 1 1 597 . 14 1 1 A 49 49 TYR H H 76 8.340 8.410 -0.070 1 1 598 . 14 1 1 A 49 49 TYR HA H 76 5.230 5.631 -0.401 1 1 605 . 14 1 1 A 49 49 TYR C C 76 173.480 173.909 -0.429 1 1 606 . 14 1 1 A 49 49 TYR CA C 76 54.940 54.963 -0.023 1 1 607 . 14 1 1 A 49 49 TYR CB C 76 42.030 41.620 0.410 1 1 612 . 14 1 1 A 49 49 TYR N N 76 126.510 125.313 1.197 1 1 613 . 14 1 1 A 50 50 SER H H 77 8.360 8.237 0.123 1 1 614 . 14 1 1 A 50 50 SER HA H 77 4.560 5.284 -0.724 1 1 617 . 14 1 1 A 50 50 SER C C 77 171.180 172.609 -1.429 1 1 618 . 14 1 1 A 50 50 SER CA C 77 56.890 57.058 -0.168 1 1 619 . 14 1 1 A 50 50 SER CB C 77 65.650 66.704 -1.054 1 1 620 . 14 1 1 A 50 50 SER N N 77 111.300 114.050 -2.750 1 1 621 . 14 1 1 A 51 51 PHE H H 78 8.660 8.933 -0.273 1 1 622 . 14 1 1 A 51 51 PHE HA H 78 5.860 5.702 0.158 1 1 630 . 14 1 1 A 51 51 PHE C C 78 176.800 174.202 2.598 1 1 631 . 14 1 1 A 51 51 PHE CA C 78 56.090 56.186 -0.096 1 1 632 . 14 1 1 A 51 51 PHE CB C 78 42.280 42.532 -0.252 1 1 638 . 14 1 1 A 51 51 PHE N N 78 116.710 119.410 -2.700 1 1 639 . 14 1 1 A 52 52 ASN H H 79 9.190 9.244 -0.054 1 1 640 . 14 1 1 A 52 52 ASN HA H 79 4.900 5.246 -0.346 1 1 645 . 14 1 1 A 52 52 ASN C C 79 174.870 174.888 -0.018 1 1 646 . 14 1 1 A 52 52 ASN CA C 79 53.300 51.999 1.301 1 1 647 . 14 1 1 A 52 52 ASN CB C 79 41.350 40.255 1.095 1 1 648 . 14 1 1 A 52 52 ASN N N 79 119.620 121.761 -2.141 1 1 650 . 14 1 1 A 53 53 ALA H H 80 9.650 8.769 0.881 1 1 651 . 14 1 1 A 53 53 ALA HA H 80 4.110 3.920 0.190 1 1 655 . 14 1 1 A 53 53 ALA C C 80 176.800 177.836 -1.036 1 1 656 . 14 1 1 A 53 53 ALA CA C 80 52.860 54.842 -1.982 1 1 657 . 14 1 1 A 53 53 ALA CB C 80 16.760 17.958 -1.198 1 1 658 . 14 1 1 A 53 53 ALA N N 80 131.210 127.577 3.633 1 1 659 . 14 1 1 A 54 54 GLY H H 81 8.850 8.509 0.341 1 1 660 . 14 1 1 A 54 54 GLY HA2 H 81 4.320 4.115 0.205 1 1 661 . 14 1 1 A 54 54 GLY HA3 H 81 4.220 4.141 0.079 1 1 662 . 14 1 1 A 54 54 GLY C C 81 173.950 173.451 0.499 1 1 663 . 14 1 1 A 54 54 GLY CA C 81 45.320 45.595 -0.275 1 1 664 . 14 1 1 A 54 54 GLY N N 81 104.570 105.167 -0.597 1 1 665 . 14 1 1 A 55 55 LYS H H 82 8.030 8.147 -0.117 1 1 666 . 14 1 1 A 55 55 LYS HA H 82 4.910 4.552 0.358 1 1 675 . 14 1 1 A 55 55 LYS C C 82 174.120 175.719 -1.599 1 1 676 . 14 1 1 A 55 55 LYS CA C 82 54.350 55.791 -1.441 1 1 677 . 14 1 1 A 55 55 LYS CB C 82 34.010 33.641 0.369 1 1 681 . 14 1 1 A 55 55 LYS N N 82 120.230 120.120 0.110 1 1 682 . 14 1 1 A 56 56 PHE H H 83 9.390 9.425 -0.035 1 1 683 . 14 1 1 A 56 56 PHE HA H 83 4.250 4.710 -0.460 1 1 691 . 14 1 1 A 56 56 PHE C C 83 173.870 174.159 -0.289 1 1 692 . 14 1 1 A 56 56 PHE CA C 83 56.630 56.748 -0.118 1 1 693 . 14 1 1 A 56 56 PHE CB C 83 40.940 41.268 -0.328 1 1 699 . 14 1 1 A 56 56 PHE N N 83 125.150 125.649 -0.499 1 1 700 . 14 1 1 A 57 57 MET H H 84 8.270 8.747 -0.477 1 1 701 . 14 1 1 A 57 57 MET HA H 84 5.140 6.039 -0.899 1 1 709 . 14 1 1 A 57 57 MET C C 84 174.090 175.035 -0.945 1 1 710 . 14 1 1 A 57 57 MET CA C 84 53.600 53.938 -0.338 1 1 711 . 14 1 1 A 57 57 MET CB C 84 36.190 37.137 -0.947 1 1 714 . 14 1 1 A 57 57 MET N N 84 124.270 124.819 -0.549 1 1 715 . 14 1 1 A 58 58 GLY H H 85 7.420 8.181 -0.761 1 1 716 . 14 1 1 A 58 58 GLY HA2 H 85 3.900 3.768 0.132 1 1 717 . 14 1 1 A 58 58 GLY HA3 H 85 2.790 3.885 -1.095 1 1 718 . 14 1 1 A 58 58 GLY C C 85 169.900 171.819 -1.919 1 1 719 . 14 1 1 A 58 58 GLY CA C 85 45.620 45.237 0.383 1 1 720 . 14 1 1 A 58 58 GLY N N 85 103.440 107.785 -4.345 1 1 721 . 14 1 1 A 59 59 ASN H H 86 8.410 8.535 -0.125 1 1 722 . 14 1 1 A 59 59 ASN HA H 86 4.890 4.920 -0.030 1 1 727 . 14 1 1 A 59 59 ASN C C 86 174.650 174.400 0.250 1 1 728 . 14 1 1 A 59 59 ASN CA C 86 51.110 52.843 -1.733 1 1 729 . 14 1 1 A 59 59 ASN CB C 86 38.140 39.294 -1.154 1 1 730 . 14 1 1 A 59 59 ASN N N 86 122.270 122.850 -0.580 1 1 732 . 14 1 1 A 60 60 PHE H H 87 8.870 8.950 -0.080 1 1 733 . 14 1 1 A 60 60 PHE HA H 87 4.120 5.153 -1.033 1 1 741 . 14 1 1 A 60 60 PHE C C 87 175.620 175.130 0.490 1 1 742 . 14 1 1 A 60 60 PHE CA C 87 58.850 56.659 2.191 1 1 743 . 14 1 1 A 60 60 PHE CB C 87 39.910 40.751 -0.841 1 1 749 . 14 1 1 A 60 60 PHE N N 87 123.420 126.024 -2.604 1 1 750 . 14 1 1 A 61 61 ASN H H 88 8.610 9.445 -0.835 1 1 751 . 14 1 1 A 61 61 ASN HA H 88 4.900 5.205 -0.305 1 1 756 . 14 1 1 A 61 61 ASN C C 88 175.090 173.888 1.202 1 1 757 . 14 1 1 A 61 61 ASN CA C 88 52.690 51.950 0.740 1 1 758 . 14 1 1 A 61 61 ASN CB C 88 39.830 39.739 0.091 1 1 759 . 14 1 1 A 61 61 ASN N N 88 121.520 120.339 1.181 1 1 761 . 14 1 1 A 62 62 VAL H H 89 8.890 8.459 0.431 1 1 762 . 14 1 1 A 62 62 VAL HA H 89 4.820 4.636 0.184 1 1 770 . 14 1 1 A 62 62 VAL C C 89 174.650 174.306 0.344 1 1 771 . 14 1 1 A 62 62 VAL CA C 89 60.870 61.168 -0.298 1 1 772 . 14 1 1 A 62 62 VAL CB C 89 34.690 33.959 0.731 1 1 775 . 14 1 1 A 62 62 VAL N N 89 123.750 124.840 -1.090 1 1 776 . 14 1 1 A 63 63 LYS H H 90 8.750 9.359 -0.609 1 1 777 . 14 1 1 A 63 63 LYS HA H 90 4.670 4.963 -0.293 1 1 786 . 14 1 1 A 63 63 LYS C C 90 174.990 175.337 -0.347 1 1 787 . 14 1 1 A 63 63 LYS CA C 90 55.010 55.005 0.005 1 1 788 . 14 1 1 A 63 63 LYS CB C 90 34.030 34.201 -0.171 1 1 792 . 14 1 1 A 63 63 LYS N N 90 126.210 127.965 -1.755 1 1 793 . 14 1 1 A 64 64 GLU H H 91 9.170 9.020 0.150 1 1 794 . 14 1 1 A 64 64 GLU HA H 91 5.020 5.182 -0.162 1 1 799 . 14 1 1 A 64 64 GLU C C 91 175.680 175.013 0.667 1 1 800 . 14 1 1 A 64 64 GLU CA C 91 54.400 54.930 -0.530 1 1 801 . 14 1 1 A 64 64 GLU CB C 91 32.690 33.422 -0.732 1 1 803 . 14 1 1 A 64 64 GLU N N 91 128.500 128.250 0.250 1 1 804 . 14 1 1 A 65 65 VAL H H 92 8.330 9.283 -0.953 1 1 805 . 14 1 1 A 65 65 VAL HA H 92 3.880 5.100 -1.220 1 1 813 . 14 1 1 A 65 65 VAL C C 92 175.940 174.967 0.973 1 1 814 . 14 1 1 A 65 65 VAL CA C 92 62.290 59.810 2.480 1 1 815 . 14 1 1 A 65 65 VAL CB C 92 32.080 34.928 -2.848 1 1 818 . 14 1 1 A 65 65 VAL N N 92 126.870 119.658 7.212 1 1 819 . 14 1 1 A 66 66 ASP H H 93 8.810 8.731 0.079 1 1 820 . 14 1 1 A 66 66 ASP HA H 93 4.440 5.272 -0.832 1 1 823 . 14 1 1 A 66 66 ASP C C 93 177.330 176.605 0.725 1 1 824 . 14 1 1 A 66 66 ASP CA C 93 55.950 52.419 3.531 1 1 825 . 14 1 1 A 66 66 ASP CB C 93 40.760 43.148 -2.388 1 1 826 . 14 1 1 A 66 66 ASP N N 93 130.720 122.089 8.631 1 1 827 . 14 1 1 A 67 67 GLY H H 94 8.910 8.708 0.202 1 1 828 . 14 1 1 A 67 67 GLY HA2 H 94 4.020 3.970 0.050 1 1 829 . 14 1 1 A 67 67 GLY HA3 H 94 3.820 3.976 -0.156 1 1 830 . 14 1 1 A 67 67 GLY C C 94 173.530 174.440 -0.910 1 1 831 . 14 1 1 A 67 67 GLY CA C 94 45.830 45.372 0.458 1 1 832 . 14 1 1 A 67 67 GLY N N 94 112.760 110.365 2.395 1 1 833 . 14 1 1 A 68 68 CYS H H 95 7.540 7.973 -0.433 1 1 834 . 14 1 1 A 68 68 CYS HA H 95 4.260 4.329 -0.069 1 1 837 . 14 1 1 A 68 68 CYS C C 95 175.640 175.093 0.547 1 1 838 . 14 1 1 A 68 68 CYS CA C 95 58.280 58.751 -0.471 1 1 839 . 14 1 1 A 68 68 CYS CB C 95 38.240 42.659 -4.419 1 1 840 . 14 1 1 A 68 68 CYS N N 95 119.700 119.739 -0.039 1 1 841 . 14 1 1 A 69 69 PHE H H 96 8.850 7.809 1.041 1 1 842 . 14 1 1 A 69 69 PHE HA H 96 5.010 4.666 0.344 1 1 850 . 14 1 1 A 69 69 PHE C C 96 177.330 175.315 2.015 1 1 851 . 14 1 1 A 69 69 PHE CA C 96 56.460 57.427 -0.967 1 1 852 . 14 1 1 A 69 69 PHE CB C 96 40.020 38.815 1.205 1 1 858 . 14 1 1 A 69 69 PHE N N 96 117.790 117.377 0.413 1 1 859 . 14 1 1 A 70 70 MET H H 97 8.710 8.304 0.406 1 1 860 . 14 1 1 A 70 70 MET HA H 97 4.700 4.153 0.547 1 1 868 . 14 1 1 A 70 70 MET C C 97 177.650 175.897 1.753 1 1 869 . 14 1 1 A 70 70 MET CA C 97 54.570 57.614 -3.044 1 1 870 . 14 1 1 A 70 70 MET CB C 97 33.990 31.431 2.559 1 1 873 . 14 1 1 A 70 70 MET N N 97 119.890 115.807 4.083 1 1 874 . 14 1 1 A 71 71 ASP H H 98 8.980 8.710 0.270 1 1 875 . 14 1 1 A 71 71 ASP HA H 98 4.280 4.928 -0.648 1 1 878 . 14 1 1 A 71 71 ASP C C 98 177.920 177.147 0.773 1 1 879 . 14 1 1 A 71 71 ASP CA C 98 58.380 55.296 3.084 1 1 880 . 14 1 1 A 71 71 ASP CB C 98 40.100 43.962 -3.862 1 1 881 . 14 1 1 A 71 71 ASP N N 98 123.440 125.805 -2.365 1 1 882 . 14 1 1 A 72 72 ALA H H 99 8.950 8.066 0.884 1 1 883 . 14 1 1 A 72 72 ALA HA H 99 4.030 4.152 -0.122 1 1 887 . 14 1 1 A 72 72 ALA C C 99 180.740 179.532 1.208 1 1 888 . 14 1 1 A 72 72 ALA CA C 99 55.020 54.266 0.754 1 1 889 . 14 1 1 A 72 72 ALA CB C 99 18.280 18.803 -0.523 1 1 890 . 14 1 1 A 72 72 ALA N N 99 119.200 122.657 -3.457 1 1 891 . 14 1 1 A 73 73 GLN H H 100 7.120 7.706 -0.586 1 1 892 . 14 1 1 A 73 73 GLN HA H 100 4.020 4.408 -0.388 1 1 899 . 14 1 1 A 73 73 GLN C C 100 176.880 178.265 -1.385 1 1 900 . 14 1 1 A 73 73 GLN CA C 100 57.720 58.756 -1.036 1 1 901 . 14 1 1 A 73 73 GLN CB C 100 28.940 28.419 0.521 1 1 903 . 14 1 1 A 73 73 GLN N N 100 115.380 117.996 -2.616 1 1 905 . 14 1 1 A 74 74 LYS H H 101 7.760 7.947 -0.187 1 1 906 . 14 1 1 A 74 74 LYS HA H 101 3.510 3.936 -0.426 1 1 915 . 14 1 1 A 74 74 LYS C C 101 177.610 178.406 -0.796 1 1 916 . 14 1 1 A 74 74 LYS CA C 101 58.500 59.256 -0.756 1 1 917 . 14 1 1 A 74 74 LYS CB C 101 31.790 32.265 -0.475 1 1 921 . 14 1 1 A 74 74 LYS N N 101 119.560 120.902 -1.342 1 1 922 . 14 1 1 A 75 75 ILE H H 102 7.760 8.013 -0.253 1 1 923 . 14 1 1 A 75 75 ILE HA H 102 3.750 3.600 0.150 1 1 933 . 14 1 1 A 75 75 ILE C C 102 178.530 177.577 0.953 1 1 934 . 14 1 1 A 75 75 ILE CA C 102 64.200 65.565 -1.365 1 1 935 . 14 1 1 A 75 75 ILE CB C 102 38.170 37.582 0.588 1 1 939 . 14 1 1 A 75 75 ILE N N 102 117.490 119.751 -2.261 1 1 940 . 14 1 1 A 76 76 ALA H H 103 7.090 8.489 -1.399 1 1 941 . 14 1 1 A 76 76 ALA HA H 103 3.990 3.792 0.198 1 1 945 . 14 1 1 A 76 76 ALA C C 103 178.650 180.230 -1.580 1 1 946 . 14 1 1 A 76 76 ALA CA C 103 55.020 55.207 -0.187 1 1 947 . 14 1 1 A 76 76 ALA CB C 103 18.570 18.302 0.268 1 1 948 . 14 1 1 A 76 76 ALA N N 103 121.190 121.899 -0.709 1 1 949 . 14 1 1 A 77 77 ILE H H 104 8.150 7.738 0.412 1 1 950 . 14 1 1 A 77 77 ILE HA H 104 3.420 3.397 0.023 1 1 960 . 14 1 1 A 77 77 ILE C C 104 176.670 177.192 -0.522 1 1 961 . 14 1 1 A 77 77 ILE CA C 104 63.130 64.870 -1.740 1 1 962 . 14 1 1 A 77 77 ILE CB C 104 36.680 37.557 -0.877 1 1 966 . 14 1 1 A 77 77 ILE N N 104 119.240 118.556 0.684 1 1 967 . 14 1 1 A 78 78 ASP H H 105 8.290 8.554 -0.264 1 1 968 . 14 1 1 A 78 78 ASP HA H 105 4.440 4.236 0.204 1 1 971 . 14 1 1 A 78 78 ASP C C 105 180.350 178.429 1.921 1 1 972 . 14 1 1 A 78 78 ASP CA C 105 57.440 57.914 -0.474 1 1 973 . 14 1 1 A 78 78 ASP CB C 105 39.430 42.037 -2.607 1 1 974 . 14 1 1 A 78 78 ASP N N 105 121.080 121.343 -0.263 1 1 975 . 14 1 1 A 79 79 LYS H H 106 7.960 8.038 -0.078 1 1 976 . 14 1 1 A 79 79 LYS HA H 106 4.010 3.950 0.060 1 1 985 . 14 1 1 A 79 79 LYS C C 106 178.580 178.989 -0.409 1 1 986 . 14 1 1 A 79 79 LYS CA C 106 59.780 59.185 0.595 1 1 987 . 14 1 1 A 79 79 LYS CB C 106 31.800 32.167 -0.367 1 1 991 . 14 1 1 A 79 79 LYS N N 106 121.340 118.735 2.605 1 1 992 . 14 1 1 A 80 80 LEU H H 107 8.230 8.083 0.147 1 1 993 . 14 1 1 A 80 80 LEU HA H 107 3.990 4.210 -0.220 1 1 1003 . 14 1 1 A 80 80 LEU C C 107 178.230 178.356 -0.126 1 1 1004 . 14 1 1 A 80 80 LEU CA C 107 58.570 58.098 0.472 1 1 1005 . 14 1 1 A 80 80 LEU CB C 107 41.110 41.315 -0.205 1 1 1009 . 14 1 1 A 80 80 LEU N N 107 123.530 120.708 2.822 1 1 1010 . 14 1 1 A 81 81 PHE H H 108 8.050 8.532 -0.482 1 1 1011 . 14 1 1 A 81 81 PHE HA H 108 4.350 3.974 0.376 1 1 1019 . 14 1 1 A 81 81 PHE C C 108 179.570 177.982 1.588 1 1 1020 . 14 1 1 A 81 81 PHE CA C 108 61.070 60.706 0.364 1 1 1021 . 14 1 1 A 81 81 PHE CB C 108 37.010 38.003 -0.993 1 1 1027 . 14 1 1 A 81 81 PHE N N 108 116.720 118.040 -1.320 1 1 1028 . 14 1 1 A 82 82 SER H H 109 8.410 8.282 0.128 1 1 1029 . 14 1 1 A 82 82 SER HA H 109 4.360 4.266 0.094 1 1 1032 . 14 1 1 A 82 82 SER C C 109 176.200 177.425 -1.225 1 1 1033 . 14 1 1 A 82 82 SER CA C 109 61.830 61.382 0.448 1 1 1034 . 14 1 1 A 82 82 SER CB C 109 62.570 63.177 -0.607 1 1 1035 . 14 1 1 A 82 82 SER N N 109 118.120 115.716 2.404 1 1 1036 . 14 1 1 A 83 83 MET H H 110 8.420 8.118 0.302 1 1 1037 . 14 1 1 A 83 83 MET HA H 110 4.210 4.168 0.042 1 1 1043 . 14 1 1 A 83 83 MET C C 110 178.260 178.781 -0.521 1 1 1044 . 14 1 1 A 83 83 MET CA C 110 59.170 59.012 0.158 1 1 1045 . 14 1 1 A 83 83 MET CB C 110 31.240 32.740 -1.500 1 1 1047 . 14 1 1 A 83 83 MET N N 110 123.040 119.718 3.322 1 1 1048 . 14 1 1 A 84 84 LEU H H 111 8.080 8.145 -0.065 1 1 1049 . 14 1 1 A 84 84 LEU HA H 111 4.140 4.052 0.088 1 1 1059 . 14 1 1 A 84 84 LEU C C 111 178.030 179.040 -1.010 1 1 1060 . 14 1 1 A 84 84 LEU CA C 111 57.390 58.301 -0.911 1 1 1061 . 14 1 1 A 84 84 LEU CB C 111 41.430 41.850 -0.420 1 1 1065 . 14 1 1 A 84 84 LEU N N 111 117.910 119.878 -1.968 1 1 1066 . 14 1 1 A 85 85 LYS H H 112 7.640 8.100 -0.460 1 1 1067 . 14 1 1 A 85 85 LYS HA H 112 4.110 4.186 -0.076 1 1 1076 . 14 1 1 A 85 85 LYS C C 112 177.650 177.632 0.018 1 1 1077 . 14 1 1 A 85 85 LYS CA C 112 58.750 59.039 -0.289 1 1 1078 . 14 1 1 A 85 85 LYS CB C 112 32.240 32.370 -0.130 1 1 1082 . 14 1 1 A 85 85 LYS N N 112 119.340 117.644 1.696 1 1 1083 . 14 1 1 A 86 86 ASP H H 113 7.350 7.632 -0.282 1 1 1084 . 14 1 1 A 86 86 ASP HA H 113 4.570 4.704 -0.134 1 1 1087 . 14 1 1 A 86 86 ASP C C 113 176.950 176.438 0.512 1 1 1088 . 14 1 1 A 86 86 ASP CA C 113 55.770 54.185 1.585 1 1 1089 . 14 1 1 A 86 86 ASP CB C 113 42.420 41.438 0.982 1 1 1090 . 14 1 1 A 86 86 ASP N N 113 117.210 117.537 -0.327 1 1 1091 . 14 1 1 A 87 87 GLY H H 114 7.760 7.861 -0.101 1 1 1092 . 14 1 1 A 87 87 GLY HA2 H 114 4.380 4.053 0.327 1 1 1093 . 14 1 1 A 87 87 GLY HA3 H 114 4.380 4.077 0.303 1 1 1094 . 14 1 1 A 87 87 GLY C C 114 173.000 173.911 -0.911 1 1 1095 . 14 1 1 A 87 87 GLY CA C 114 44.490 45.353 -0.863 1 1 1096 . 14 1 1 A 87 87 GLY N N 114 107.740 106.855 0.885 1 1 1097 . 14 1 1 A 88 88 VAL H H 115 9.350 8.871 0.479 1 1 1098 . 14 1 1 A 88 88 VAL HA H 115 4.960 4.810 0.150 1 1 1106 . 14 1 1 A 88 88 VAL C C 115 173.100 174.364 -1.264 1 1 1107 . 14 1 1 A 88 88 VAL CA C 115 58.650 61.781 -3.131 1 1 1108 . 14 1 1 A 88 88 VAL CB C 115 35.910 33.612 2.298 1 1 1111 . 14 1 1 A 88 88 VAL N N 115 118.050 124.233 -6.183 1 1 1112 . 14 1 1 A 89 89 VAL H H 116 9.000 9.619 -0.619 1 1 1113 . 14 1 1 A 89 89 VAL HA H 116 4.550 4.877 -0.327 1 1 1121 . 14 1 1 A 89 89 VAL C C 116 174.640 174.833 -0.193 1 1 1122 . 14 1 1 A 89 89 VAL CA C 116 61.360 59.927 1.433 1 1 1123 . 14 1 1 A 89 89 VAL CB C 116 33.760 34.179 -0.419 1 1 1126 . 14 1 1 A 89 89 VAL N N 116 121.030 127.495 -6.465 1 1 1127 . 14 1 1 A 90 90 LEU H H 117 8.950 8.661 0.289 1 1 1128 . 14 1 1 A 90 90 LEU HA H 117 5.160 5.446 -0.286 1 1 1138 . 14 1 1 A 90 90 LEU C C 117 176.150 176.600 -0.450 1 1 1139 . 14 1 1 A 90 90 LEU CA C 117 52.230 54.346 -2.116 1 1 1140 . 14 1 1 A 90 90 LEU CB C 117 44.280 41.909 2.371 1 1 1144 . 14 1 1 A 90 90 LEU N N 117 125.420 129.410 -3.990 1 1 1145 . 14 1 1 A 91 91 LYS H H 118 8.280 8.583 -0.303 1 1 1146 . 14 1 1 A 91 91 LYS HA H 118 4.900 4.498 0.402 1 1 1155 . 14 1 1 A 91 91 LYS C C 118 175.300 175.280 0.020 1 1 1156 . 14 1 1 A 91 91 LYS CA C 118 53.810 55.613 -1.803 1 1 1157 . 14 1 1 A 91 91 LYS CB C 118 36.840 36.670 0.170 1 1 1161 . 14 1 1 A 91 91 LYS N N 118 119.720 122.084 -2.364 1 1 1162 . 14 1 1 A 92 92 GLY H H 119 9.030 8.246 0.784 1 1 1163 . 14 1 1 A 92 92 GLY HA2 H 119 3.750 4.195 -0.445 1 1 1164 . 14 1 1 A 92 92 GLY HA3 H 119 3.750 4.200 -0.450 1 1 1165 . 14 1 1 A 92 92 GLY CA C 119 43.980 45.330 -1.350 1 1 1166 . 14 1 1 A 92 92 GLY N N 119 109.730 109.236 0.494 1 1 1167 . 14 1 1 A 94 94 LYS HA H 121 4.760 4.564 0.196 1 1 1168 . 14 1 1 A 95 95 ILE H H 122 7.700 8.563 -0.863 1 1 1169 . 14 1 1 A 95 95 ILE HA H 122 4.160 4.907 -0.747 1 1 1179 . 14 1 1 A 95 95 ILE CA C 122 61.270 58.796 2.474 1 1 1180 . 14 1 1 A 95 95 ILE CB C 122 37.590 40.831 -3.241 1 1 1184 . 14 1 1 A 95 95 ILE N N 122 117.400 125.897 -8.497 1 1 1185 . 14 1 1 A 98 98 THR HA H 125 5.810 4.203 1.607 1 1 1190 . 14 1 1 A 98 98 THR CA C 125 61.740 62.865 -1.125 1 1 1191 . 14 1 1 A 98 98 THR CB C 125 73.450 69.878 3.572 1 1 1193 . 14 1 1 A 99 99 ILE HA H 126 4.630 4.350 0.280 1 1 1203 . 14 1 1 A 99 99 ILE C C 126 174.430 175.264 -0.834 1 1 1204 . 14 1 1 A 99 99 ILE CA C 126 59.980 60.489 -0.509 1 1 1205 . 14 1 1 A 99 99 ILE CB C 126 40.970 37.929 3.041 1 1 1209 . 14 1 1 A 100 100 LEU H H 127 9.530 8.794 0.736 1 1 1210 . 14 1 1 A 100 100 LEU HA H 127 4.420 5.035 -0.615 1 1 1220 . 14 1 1 A 100 100 LEU C C 127 174.930 175.231 -0.301 1 1 1221 . 14 1 1 A 100 100 LEU CA C 127 54.030 53.327 0.703 1 1 1222 . 14 1 1 A 100 100 LEU CB C 127 42.520 44.896 -2.376 1 1 1226 . 14 1 1 A 100 100 LEU N N 127 127.300 127.120 0.180 1 1 1227 . 14 1 1 A 101 101 ILE H H 128 8.260 9.422 -1.162 1 1 1228 . 14 1 1 A 101 101 ILE HA H 128 4.320 4.745 -0.425 1 1 1238 . 14 1 1 A 101 101 ILE C C 128 173.880 174.567 -0.687 1 1 1239 . 14 1 1 A 101 101 ILE CA C 128 60.900 60.120 0.780 1 1 1240 . 14 1 1 A 101 101 ILE CB C 128 37.410 38.387 -0.977 1 1 1244 . 14 1 1 A 101 101 ILE N N 128 119.990 123.746 -3.756 1 1 1245 . 14 1 1 A 102 102 GLU H H 129 9.580 8.829 0.751 1 1 1246 . 14 1 1 A 102 102 GLU HA H 129 5.120 5.338 -0.218 1 1 1251 . 14 1 1 A 102 102 GLU C C 129 174.240 174.693 -0.453 1 1 1252 . 14 1 1 A 102 102 GLU CA C 129 54.050 54.865 -0.815 1 1 1253 . 14 1 1 A 102 102 GLU CB C 129 33.630 33.566 0.064 1 1 1255 . 14 1 1 A 102 102 GLU N N 129 129.780 129.668 0.112 1 1 1256 . 14 1 1 A 103 103 LYS H H 130 8.680 8.429 0.251 1 1 1257 . 14 1 1 A 103 103 LYS HA H 130 4.720 4.869 -0.149 1 1 1264 . 14 1 1 A 103 103 LYS C C 130 175.280 174.771 0.509 1 1 1265 . 14 1 1 A 103 103 LYS CA C 130 55.190 55.191 -0.001 1 1 1266 . 14 1 1 A 103 103 LYS CB C 130 36.750 35.644 1.106 1 1 1270 . 14 1 1 A 103 103 LYS N N 130 123.420 123.012 0.408 1 1 1271 . 14 1 1 A 104 104 ASP H H 131 9.530 9.350 0.180 1 1 1272 . 14 1 1 A 104 104 ASP HA H 131 4.290 4.347 -0.057 1 1 1275 . 14 1 1 A 104 104 ASP C C 131 176.090 176.243 -0.153 1 1 1276 . 14 1 1 A 104 104 ASP CA C 131 55.370 55.622 -0.252 1 1 1277 . 14 1 1 A 104 104 ASP CB C 131 39.260 39.223 0.037 1 1 1278 . 14 1 1 A 104 104 ASP N N 131 127.440 119.790 7.650 1 1 1279 . 14 1 1 A 105 105 GLY H H 132 8.970 8.579 0.391 1 1 1280 . 14 1 1 A 105 105 GLY HA2 H 132 4.090 3.850 0.240 1 1 1281 . 14 1 1 A 105 105 GLY HA3 H 132 3.550 3.852 -0.302 1 1 1282 . 14 1 1 A 105 105 GLY C C 132 173.130 173.456 -0.326 1 1 1283 . 14 1 1 A 105 105 GLY CA C 132 45.230 45.568 -0.338 1 1 1284 . 14 1 1 A 105 105 GLY N N 132 103.820 105.257 -1.437 1 1 1285 . 14 1 1 A 106 106 GLU H H 133 7.720 7.670 0.050 1 1 1286 . 14 1 1 A 106 106 GLU HA H 133 4.720 4.806 -0.086 1 1 1291 . 14 1 1 A 106 106 GLU C C 133 174.940 174.363 0.577 1 1 1292 . 14 1 1 A 106 106 GLU CA C 133 53.770 54.519 -0.749 1 1 1293 . 14 1 1 A 106 106 GLU CB C 133 32.820 32.501 0.319 1 1 1295 . 14 1 1 A 106 106 GLU N N 133 120.200 115.336 4.864 1 1 1296 . 14 1 1 A 107 107 VAL H H 134 8.900 8.796 0.104 1 1 1297 . 14 1 1 A 107 107 VAL HA H 134 3.760 4.147 -0.387 1 1 1305 . 14 1 1 A 107 107 VAL C C 134 175.340 175.979 -0.639 1 1 1306 . 14 1 1 A 107 107 VAL CA C 134 64.230 62.160 2.070 1 1 1307 . 14 1 1 A 107 107 VAL CB C 134 31.160 32.435 -1.275 1 1 1310 . 14 1 1 A 107 107 VAL N N 134 125.990 122.746 3.244 1 1 1311 . 14 1 1 A 108 108 LYS H H 135 9.250 8.577 0.673 1 1 1312 . 14 1 1 A 108 108 LYS HA H 135 4.810 4.470 0.340 1 1 1321 . 14 1 1 A 108 108 LYS C C 135 174.390 175.480 -1.090 1 1 1322 . 14 1 1 A 108 108 LYS CA C 135 54.740 55.725 -0.985 1 1 1323 . 14 1 1 A 108 108 LYS CB C 135 34.690 33.619 1.071 1 1 1327 . 14 1 1 A 108 108 LYS N N 135 126.060 124.104 1.956 1 1 1328 . 14 1 1 A 109 109 LEU H H 136 7.690 7.177 0.513 1 1 1329 . 14 1 1 A 109 109 LEU HA H 136 4.820 5.267 -0.447 1 1 1339 . 14 1 1 A 109 109 LEU C C 136 172.450 174.392 -1.942 1 1 1340 . 14 1 1 A 109 109 LEU CA C 136 53.250 53.660 -0.410 1 1 1341 . 14 1 1 A 109 109 LEU CB C 136 47.800 45.015 2.785 1 1 1345 . 14 1 1 A 109 109 LEU N N 136 116.670 120.532 -3.862 1 1 1346 . 14 1 1 A 110 110 LYS H H 137 9.170 8.792 0.378 1 1 1347 . 14 1 1 A 110 110 LYS HA H 137 5.050 4.886 0.164 1 1 1356 . 14 1 1 A 110 110 LYS C C 137 172.760 174.770 -2.010 1 1 1357 . 14 1 1 A 110 110 LYS CA C 137 54.090 54.631 -0.541 1 1 1358 . 14 1 1 A 110 110 LYS CB C 137 36.560 37.012 -0.452 1 1 1362 . 14 1 1 A 110 110 LYS N N 137 117.050 121.839 -4.789 1 1 1363 . 14 1 1 A 111 111 LEU H H 138 9.400 9.081 0.319 1 1 1364 . 14 1 1 A 111 111 LEU HA H 138 5.250 4.827 0.423 1 1 1374 . 14 1 1 A 111 111 LEU C C 138 176.470 176.810 -0.340 1 1 1375 . 14 1 1 A 111 111 LEU CA C 138 52.230 53.594 -1.364 1 1 1376 . 14 1 1 A 111 111 LEU CB C 138 42.810 42.367 0.443 1 1 1380 . 14 1 1 A 111 111 LEU N N 138 121.800 121.609 0.191 1 1 1381 . 14 1 1 A 112 112 ILE H H 139 9.080 8.703 0.377 1 1 1382 . 14 1 1 A 112 112 ILE HA H 139 5.420 4.303 1.117 1 1 1392 . 14 1 1 A 112 112 ILE C C 139 175.710 176.160 -0.450 1 1 1393 . 14 1 1 A 112 112 ILE CA C 139 59.170 63.495 -4.325 1 1 1394 . 14 1 1 A 112 112 ILE CB C 139 41.010 37.121 3.889 1 1 1398 . 14 1 1 A 112 112 ILE N N 139 120.350 118.122 2.228 1 1 1399 . 14 1 1 A 113 113 ARG H H 140 8.550 8.416 0.134 1 1 1400 . 14 1 1 A 113 113 ARG HA H 140 3.940 4.898 -0.958 1 1 1403 . 14 1 1 A 113 113 ARG C C 140 176.030 175.658 0.372 1 1 1404 . 14 1 1 A 113 113 ARG CA C 140 56.180 54.586 1.594 1 1 1405 . 14 1 1 A 113 113 ARG CB C 140 30.770 32.588 -1.818 1 1 1408 . 14 1 1 A 113 113 ARG N N 140 127.710 123.089 4.621 1 1 1409 . 14 1 1 A 114 114 GLY H H 141 8.530 8.395 0.135 1 1 1410 . 14 1 1 A 114 114 GLY HA2 H 141 4.000 4.139 -0.139 1 1 1411 . 14 1 1 A 114 114 GLY HA3 H 141 3.820 4.143 -0.323 1 1 1412 . 14 1 1 A 114 114 GLY C C 141 172.650 173.418 -0.768 1 1 1413 . 14 1 1 A 114 114 GLY CA C 141 45.100 44.640 0.460 1 1 1414 . 14 1 1 A 114 114 GLY N N 141 111.410 108.768 2.642 1 1 1 . 15 1 1 A 2 2 SER HA H 29 4.540 4.464 0.076 1 1 4 . 15 1 1 A 2 2 SER C C 29 174.370 174.182 0.188 1 1 5 . 15 1 1 A 2 2 SER CA C 29 58.380 60.104 -1.724 1 1 6 . 15 1 1 A 2 2 SER CB C 29 63.670 61.916 1.754 1 1 7 . 15 1 1 A 3 3 SER H H 30 8.530 9.038 -0.508 1 1 8 . 15 1 1 A 3 3 SER HA H 30 4.480 4.435 0.045 1 1 11 . 15 1 1 A 3 3 SER C C 30 174.610 173.721 0.889 1 1 12 . 15 1 1 A 3 3 SER CA C 30 58.380 58.719 -0.339 1 1 13 . 15 1 1 A 3 3 SER CB C 30 63.690 62.770 0.920 1 1 14 . 15 1 1 A 3 3 SER N N 30 117.760 114.770 2.990 1 1 15 . 15 1 1 A 4 4 ASN H H 31 8.600 8.080 0.520 1 1 16 . 15 1 1 A 4 4 ASN HA H 31 4.710 5.055 -0.345 1 1 21 . 15 1 1 A 4 4 ASN C C 31 175.840 173.836 2.004 1 1 22 . 15 1 1 A 4 4 ASN CA C 31 53.880 52.921 0.959 1 1 23 . 15 1 1 A 4 4 ASN CB C 31 38.520 38.466 0.054 1 1 24 . 15 1 1 A 4 4 ASN N N 31 120.910 123.917 -3.007 1 1 26 . 15 1 1 A 5 5 SER H H 32 8.360 8.523 -0.163 1 1 27 . 15 1 1 A 5 5 SER HA H 32 4.420 4.740 -0.320 1 1 30 . 15 1 1 A 5 5 SER C C 32 174.700 173.927 0.773 1 1 31 . 15 1 1 A 5 5 SER CA C 32 59.310 57.084 2.226 1 1 32 . 15 1 1 A 5 5 SER CB C 32 63.410 64.102 -0.692 1 1 33 . 15 1 1 A 5 5 SER N N 32 115.920 119.887 -3.967 1 1 34 . 15 1 1 A 6 6 GLU H H 33 8.370 8.843 -0.473 1 1 35 . 15 1 1 A 6 6 GLU HA H 33 4.530 3.875 0.655 1 1 40 . 15 1 1 A 6 6 GLU C C 33 176.390 175.519 0.871 1 1 41 . 15 1 1 A 6 6 GLU CA C 33 56.510 57.601 -1.091 1 1 42 . 15 1 1 A 6 6 GLU CB C 33 29.850 27.731 2.119 1 1 44 . 15 1 1 A 6 6 GLU N N 33 121.670 119.782 1.888 1 1 45 . 15 1 1 A 7 7 LYS H H 34 8.120 8.027 0.093 1 1 46 . 15 1 1 A 7 7 LYS HA H 34 4.370 4.014 0.356 1 1 55 . 15 1 1 A 7 7 LYS C C 34 176.060 175.098 0.962 1 1 56 . 15 1 1 A 7 7 LYS CA C 34 56.140 55.023 1.117 1 1 57 . 15 1 1 A 7 7 LYS CB C 34 33.200 31.310 1.890 1 1 61 . 15 1 1 A 7 7 LYS N N 34 121.020 119.600 1.420 1 1 62 . 15 1 1 A 8 8 GLU H H 35 8.550 8.418 0.132 1 1 63 . 15 1 1 A 8 8 GLU HA H 35 4.830 4.544 0.286 1 1 68 . 15 1 1 A 8 8 GLU C C 35 175.050 174.910 0.140 1 1 69 . 15 1 1 A 8 8 GLU CA C 35 56.390 55.944 0.446 1 1 70 . 15 1 1 A 8 8 GLU CB C 35 31.340 29.877 1.463 1 1 72 . 15 1 1 A 8 8 GLU N N 35 122.450 124.002 -1.552 1 1 73 . 15 1 1 A 9 9 TRP H H 36 9.680 8.943 0.737 1 1 74 . 15 1 1 A 9 9 TRP HA H 36 4.860 5.130 -0.270 1 1 80 . 15 1 1 A 9 9 TRP C C 36 175.390 175.843 -0.453 1 1 81 . 15 1 1 A 9 9 TRP CA C 36 55.890 56.276 -0.386 1 1 82 . 15 1 1 A 9 9 TRP CB C 36 30.810 30.885 -0.075 1 1 85 . 15 1 1 A 9 9 TRP N N 36 122.800 126.792 -3.992 1 1 87 . 15 1 1 A 10 10 HIS H H 37 9.690 9.125 0.565 1 1 88 . 15 1 1 A 10 10 HIS HA H 37 4.990 5.133 -0.143 1 1 93 . 15 1 1 A 10 10 HIS C C 37 174.840 174.741 0.099 1 1 94 . 15 1 1 A 10 10 HIS CA C 37 54.720 55.282 -0.562 1 1 95 . 15 1 1 A 10 10 HIS CB C 37 29.840 30.726 -0.886 1 1 98 . 15 1 1 A 10 10 HIS N N 37 120.400 121.536 -1.136 1 1 99 . 15 1 1 A 11 11 ILE H H 38 7.740 8.499 -0.759 1 1 100 . 15 1 1 A 11 11 ILE HA H 38 4.360 4.687 -0.327 1 1 110 . 15 1 1 A 11 11 ILE C C 38 175.030 175.535 -0.505 1 1 111 . 15 1 1 A 11 11 ILE CA C 38 62.110 62.168 -0.058 1 1 112 . 15 1 1 A 11 11 ILE CB C 38 37.590 37.861 -0.271 1 1 116 . 15 1 1 A 11 11 ILE N N 38 121.700 125.448 -3.748 1 1 117 . 15 1 1 A 12 12 VAL H H 39 9.370 9.168 0.202 1 1 118 . 15 1 1 A 12 12 VAL HA H 39 4.690 4.552 0.138 1 1 126 . 15 1 1 A 12 12 VAL CA C 39 58.500 58.581 -0.081 1 1 127 . 15 1 1 A 12 12 VAL CB C 39 34.970 34.296 0.674 1 1 130 . 15 1 1 A 12 12 VAL N N 39 130.310 127.842 2.468 1 1 131 . 15 1 1 A 13 13 PRO HA H 40 4.470 4.811 -0.341 1 1 138 . 15 1 1 A 13 13 PRO C C 40 175.070 176.968 -1.898 1 1 139 . 15 1 1 A 13 13 PRO CA C 40 63.130 62.129 1.001 1 1 140 . 15 1 1 A 13 13 PRO CB C 40 33.580 31.801 1.779 1 1 143 . 15 1 1 A 14 14 VAL H H 41 7.970 8.625 -0.655 1 1 144 . 15 1 1 A 14 14 VAL HA H 41 4.170 3.912 0.258 1 1 152 . 15 1 1 A 14 14 VAL C C 41 175.360 176.298 -0.938 1 1 153 . 15 1 1 A 14 14 VAL CA C 41 63.600 64.530 -0.930 1 1 154 . 15 1 1 A 14 14 VAL CB C 41 34.050 32.444 1.606 1 1 157 . 15 1 1 A 14 14 VAL N N 41 119.000 120.122 -1.122 1 1 158 . 15 1 1 A 15 15 SER H H 42 8.040 7.207 0.833 1 1 159 . 15 1 1 A 15 15 SER HA H 42 4.530 4.385 0.145 1 1 162 . 15 1 1 A 15 15 SER C C 42 176.240 174.585 1.655 1 1 163 . 15 1 1 A 15 15 SER CA C 42 57.620 56.954 0.666 1 1 164 . 15 1 1 A 15 15 SER CB C 42 64.250 65.736 -1.486 1 1 165 . 15 1 1 A 15 15 SER N N 42 113.900 115.196 -1.296 1 1 166 . 15 1 1 A 16 16 LYS H H 43 8.690 8.668 0.022 1 1 167 . 15 1 1 A 16 16 LYS HA H 43 2.830 3.784 -0.954 1 1 176 . 15 1 1 A 16 16 LYS C C 43 177.790 178.580 -0.790 1 1 177 . 15 1 1 A 16 16 LYS CA C 43 58.100 59.407 -1.307 1 1 178 . 15 1 1 A 16 16 LYS CB C 43 31.840 32.395 -0.555 1 1 182 . 15 1 1 A 16 16 LYS N N 43 124.940 120.663 4.277 1 1 183 . 15 1 1 A 17 17 ASP H H 44 8.590 7.905 0.685 1 1 184 . 15 1 1 A 17 17 ASP HA H 44 4.100 4.458 -0.358 1 1 187 . 15 1 1 A 17 17 ASP C C 44 176.670 177.040 -0.370 1 1 188 . 15 1 1 A 17 17 ASP CA C 44 55.580 56.791 -1.211 1 1 189 . 15 1 1 A 17 17 ASP CB C 44 39.300 41.083 -1.783 1 1 190 . 15 1 1 A 17 17 ASP N N 44 118.140 118.637 -0.497 1 1 191 . 15 1 1 A 18 18 TYR H H 45 7.870 7.811 0.059 1 1 192 . 15 1 1 A 18 18 TYR HA H 45 4.550 4.637 -0.087 1 1 199 . 15 1 1 A 18 18 TYR C C 45 174.860 176.610 -1.750 1 1 200 . 15 1 1 A 18 18 TYR CA C 45 58.510 58.078 0.432 1 1 201 . 15 1 1 A 18 18 TYR CB C 45 39.470 38.934 0.536 1 1 206 . 15 1 1 A 18 18 TYR N N 45 115.260 116.859 -1.599 1 1 207 . 15 1 1 A 19 19 PHE H H 46 7.430 7.745 -0.315 1 1 208 . 15 1 1 A 19 19 PHE HA H 46 4.360 4.428 -0.068 1 1 215 . 15 1 1 A 19 19 PHE C C 46 176.950 177.313 -0.363 1 1 216 . 15 1 1 A 19 19 PHE CA C 46 59.340 60.886 -1.546 1 1 217 . 15 1 1 A 19 19 PHE CB C 46 37.870 38.026 -0.156 1 1 222 . 15 1 1 A 19 19 PHE N N 46 120.020 120.888 -0.868 1 1 223 . 15 1 1 A 20 20 SER H H 47 8.620 7.799 0.821 1 1 224 . 15 1 1 A 20 20 SER HA H 47 4.430 4.599 -0.169 1 1 227 . 15 1 1 A 20 20 SER C C 47 173.980 175.230 -1.250 1 1 228 . 15 1 1 A 20 20 SER CA C 47 58.660 58.537 0.123 1 1 229 . 15 1 1 A 20 20 SER CB C 47 62.850 63.888 -1.038 1 1 230 . 15 1 1 A 20 20 SER N N 47 111.500 112.034 -0.534 1 1 231 . 15 1 1 A 21 21 ILE H H 48 7.660 7.710 -0.050 1 1 232 . 15 1 1 A 21 21 ILE HA H 48 4.110 4.186 -0.076 1 1 242 . 15 1 1 A 21 21 ILE CA C 48 59.780 60.710 -0.930 1 1 243 . 15 1 1 A 21 21 ILE CB C 48 38.330 37.965 0.365 1 1 247 . 15 1 1 A 21 21 ILE N N 48 119.380 124.198 -4.818 1 1 248 . 15 1 1 A 22 22 PRO HA H 49 4.500 4.535 -0.035 1 1 255 . 15 1 1 A 22 22 PRO C C 49 176.110 177.566 -1.456 1 1 256 . 15 1 1 A 22 22 PRO CA C 49 62.880 62.634 0.246 1 1 257 . 15 1 1 A 22 22 PRO CB C 49 32.570 33.190 -0.620 1 1 260 . 15 1 1 A 23 23 ASN H H 50 8.630 8.833 -0.203 1 1 261 . 15 1 1 A 23 23 ASN HA H 50 4.800 4.541 0.259 1 1 266 . 15 1 1 A 23 23 ASN C C 50 176.580 174.939 1.641 1 1 267 . 15 1 1 A 23 23 ASN CA C 50 53.610 56.322 -2.712 1 1 268 . 15 1 1 A 23 23 ASN CB C 50 38.490 38.904 -0.414 1 1 269 . 15 1 1 A 23 23 ASN N N 50 117.590 119.042 -1.452 1 1 271 . 15 1 1 A 24 24 ASP H H 51 8.580 7.853 0.727 1 1 272 . 15 1 1 A 24 24 ASP HA H 51 4.760 5.001 -0.241 1 1 275 . 15 1 1 A 24 24 ASP C C 51 175.090 174.008 1.082 1 1 276 . 15 1 1 A 24 24 ASP CA C 51 52.500 54.237 -1.737 1 1 277 . 15 1 1 A 24 24 ASP CB C 51 39.840 42.881 -3.041 1 1 278 . 15 1 1 A 24 24 ASP N N 51 120.490 117.779 2.711 1 1 279 . 15 1 1 A 25 25 LEU H H 52 8.400 9.079 -0.679 1 1 280 . 15 1 1 A 25 25 LEU HA H 52 4.390 4.998 -0.608 1 1 290 . 15 1 1 A 25 25 LEU C C 52 176.340 175.561 0.779 1 1 291 . 15 1 1 A 25 25 LEU CA C 52 55.460 53.751 1.709 1 1 292 . 15 1 1 A 25 25 LEU CB C 52 43.270 44.183 -0.913 1 1 296 . 15 1 1 A 25 25 LEU N N 52 119.530 127.329 -7.799 1 1 297 . 15 1 1 A 26 26 LEU H H 53 8.840 9.679 -0.839 1 1 298 . 15 1 1 A 26 26 LEU HA H 53 5.140 4.999 0.141 1 1 308 . 15 1 1 A 26 26 LEU C C 53 174.620 175.225 -0.605 1 1 309 . 15 1 1 A 26 26 LEU CA C 53 52.840 53.000 -0.160 1 1 310 . 15 1 1 A 26 26 LEU CB C 53 44.070 42.484 1.586 1 1 314 . 15 1 1 A 26 26 LEU N N 53 126.610 123.575 3.035 1 1 315 . 15 1 1 A 27 27 TRP H H 54 9.230 9.354 -0.124 1 1 316 . 15 1 1 A 27 27 TRP HA H 54 5.570 5.313 0.257 1 1 325 . 15 1 1 A 27 27 TRP C C 54 175.740 174.872 0.868 1 1 326 . 15 1 1 A 27 27 TRP CA C 54 54.510 55.204 -0.694 1 1 327 . 15 1 1 A 27 27 TRP CB C 54 31.710 33.048 -1.338 1 1 333 . 15 1 1 A 27 27 TRP N N 54 122.650 128.117 -5.467 1 1 335 . 15 1 1 A 28 28 SER H H 55 9.240 8.913 0.327 1 1 336 . 15 1 1 A 28 28 SER HA H 55 5.490 5.432 0.058 1 1 339 . 15 1 1 A 28 28 SER C C 55 173.440 173.064 0.376 1 1 340 . 15 1 1 A 28 28 SER CA C 55 56.990 57.061 -0.071 1 1 341 . 15 1 1 A 28 28 SER CB C 55 66.150 65.537 0.613 1 1 342 . 15 1 1 A 28 28 SER N N 55 121.970 122.318 -0.348 1 1 343 . 15 1 1 A 29 29 PHE H H 56 9.590 9.564 0.026 1 1 344 . 15 1 1 A 29 29 PHE HA H 56 5.150 4.907 0.243 1 1 352 . 15 1 1 A 29 29 PHE C C 56 175.810 175.427 0.383 1 1 353 . 15 1 1 A 29 29 PHE CA C 56 57.180 59.211 -2.031 1 1 354 . 15 1 1 A 29 29 PHE CB C 56 42.370 39.248 3.122 1 1 360 . 15 1 1 A 29 29 PHE N N 56 121.420 125.627 -4.207 1 1 361 . 15 1 1 A 30 30 ASN H H 57 9.400 9.596 -0.196 1 1 362 . 15 1 1 A 30 30 ASN HA H 57 5.220 5.074 0.146 1 1 367 . 15 1 1 A 30 30 ASN C C 57 176.540 176.085 0.455 1 1 368 . 15 1 1 A 30 30 ASN CA C 57 52.320 52.636 -0.316 1 1 369 . 15 1 1 A 30 30 ASN CB C 57 38.520 37.836 0.684 1 1 370 . 15 1 1 A 30 30 ASN N N 57 120.660 124.063 -3.403 1 1 372 . 15 1 1 A 31 31 THR H H 58 9.180 8.705 0.475 1 1 373 . 15 1 1 A 31 31 THR HA H 58 4.800 4.751 0.049 1 1 378 . 15 1 1 A 31 31 THR C C 58 176.950 176.287 0.663 1 1 379 . 15 1 1 A 31 31 THR CA C 58 63.430 63.761 -0.331 1 1 380 . 15 1 1 A 31 31 THR CB C 58 68.110 69.055 -0.945 1 1 382 . 15 1 1 A 31 31 THR N N 58 114.630 116.327 -1.697 1 1 383 . 15 1 1 A 32 32 THR H H 59 8.450 8.128 0.322 1 1 384 . 15 1 1 A 32 32 THR HA H 59 4.130 4.221 -0.091 1 1 389 . 15 1 1 A 32 32 THR C C 59 175.130 176.131 -1.001 1 1 390 . 15 1 1 A 32 32 THR CA C 59 65.550 65.230 0.320 1 1 391 . 15 1 1 A 32 32 THR CB C 59 68.200 69.222 -1.022 1 1 393 . 15 1 1 A 32 32 THR N N 59 120.020 116.134 3.886 1 1 394 . 15 1 1 A 33 33 ASN H H 60 7.500 7.803 -0.303 1 1 395 . 15 1 1 A 33 33 ASN HA H 60 4.690 4.816 -0.126 1 1 400 . 15 1 1 A 33 33 ASN C C 60 174.230 175.028 -0.798 1 1 401 . 15 1 1 A 33 33 ASN CA C 60 51.650 51.892 -0.242 1 1 402 . 15 1 1 A 33 33 ASN CB C 60 37.870 38.342 -0.472 1 1 403 . 15 1 1 A 33 33 ASN N N 60 117.490 113.828 3.662 1 1 405 . 15 1 1 A 34 34 LYS H H 61 7.580 7.936 -0.356 1 1 406 . 15 1 1 A 34 34 LYS HA H 61 3.500 4.319 -0.819 1 1 415 . 15 1 1 A 34 34 LYS C C 61 172.880 174.806 -1.926 1 1 416 . 15 1 1 A 34 34 LYS CA C 61 57.160 57.062 0.098 1 1 417 . 15 1 1 A 34 34 LYS CB C 61 28.540 29.942 -1.402 1 1 421 . 15 1 1 A 34 34 LYS N N 61 118.030 115.972 2.058 1 1 422 . 15 1 1 A 35 35 SER H H 62 8.560 8.458 0.102 1 1 423 . 15 1 1 A 35 35 SER HA H 62 5.670 5.390 0.280 1 1 426 . 15 1 1 A 35 35 SER C C 62 173.510 172.777 0.733 1 1 427 . 15 1 1 A 35 35 SER CA C 62 56.110 56.514 -0.404 1 1 428 . 15 1 1 A 35 35 SER CB C 62 67.800 66.577 1.223 1 1 429 . 15 1 1 A 35 35 SER N N 62 109.720 113.433 -3.713 1 1 430 . 15 1 1 A 36 36 ILE H H 63 8.750 9.346 -0.596 1 1 431 . 15 1 1 A 36 36 ILE HA H 63 4.940 4.556 0.384 1 1 441 . 15 1 1 A 36 36 ILE C C 63 174.660 174.405 0.255 1 1 442 . 15 1 1 A 36 36 ILE CA C 63 58.180 60.659 -2.479 1 1 443 . 15 1 1 A 36 36 ILE CB C 63 40.660 39.183 1.477 1 1 447 . 15 1 1 A 36 36 ILE N N 63 117.490 123.338 -5.848 1 1 448 . 15 1 1 A 37 37 ASN H H 64 8.400 8.786 -0.386 1 1 449 . 15 1 1 A 37 37 ASN HA H 64 5.650 6.015 -0.365 1 1 454 . 15 1 1 A 37 37 ASN C C 64 173.490 174.318 -0.828 1 1 455 . 15 1 1 A 37 37 ASN CA C 64 51.670 52.734 -1.064 1 1 456 . 15 1 1 A 37 37 ASN CB C 64 41.900 39.354 2.546 1 1 457 . 15 1 1 A 37 37 ASN N N 64 122.180 125.742 -3.562 1 1 459 . 15 1 1 A 38 38 VAL H H 65 8.900 8.856 0.044 1 1 460 . 15 1 1 A 38 38 VAL HA H 65 5.540 4.785 0.755 1 1 468 . 15 1 1 A 38 38 VAL C C 65 174.590 175.036 -0.446 1 1 469 . 15 1 1 A 38 38 VAL CA C 65 60.060 61.226 -1.166 1 1 470 . 15 1 1 A 38 38 VAL CB C 65 34.870 32.662 2.208 1 1 473 . 15 1 1 A 38 38 VAL N N 65 122.060 125.826 -3.766 1 1 474 . 15 1 1 A 39 39 TYR H H 66 8.910 9.156 -0.246 1 1 475 . 15 1 1 A 39 39 TYR HA H 66 5.490 5.718 -0.228 1 1 482 . 15 1 1 A 39 39 TYR C C 66 172.810 173.297 -0.487 1 1 483 . 15 1 1 A 39 39 TYR CA C 66 56.220 55.528 0.692 1 1 484 . 15 1 1 A 39 39 TYR CB C 66 40.620 41.953 -1.333 1 1 489 . 15 1 1 A 39 39 TYR N N 66 123.530 124.579 -1.049 1 1 490 . 15 1 1 A 40 40 SER H H 67 8.970 9.292 -0.322 1 1 491 . 15 1 1 A 40 40 SER HA H 67 4.780 4.895 -0.115 1 1 495 . 15 1 1 A 40 40 SER C C 67 174.360 174.606 -0.246 1 1 496 . 15 1 1 A 40 40 SER CA C 67 56.580 57.034 -0.454 1 1 497 . 15 1 1 A 40 40 SER CB C 67 66.290 65.458 0.832 1 1 498 . 15 1 1 A 40 40 SER N N 67 115.210 113.753 1.457 1 1 499 . 15 1 1 A 41 41 LYS H H 68 9.020 8.879 0.141 1 1 500 . 15 1 1 A 41 41 LYS HA H 68 4.210 3.920 0.290 1 1 509 . 15 1 1 A 41 41 LYS C C 68 177.730 177.515 0.215 1 1 510 . 15 1 1 A 41 41 LYS CA C 68 59.240 59.770 -0.530 1 1 511 . 15 1 1 A 41 41 LYS CB C 68 31.660 31.912 -0.252 1 1 515 . 15 1 1 A 41 41 LYS N N 68 118.790 118.767 0.023 1 1 516 . 15 1 1 A 42 42 CYS H H 69 8.090 7.342 0.748 1 1 517 . 15 1 1 A 42 42 CYS HA H 69 4.750 4.692 0.058 1 1 520 . 15 1 1 A 42 42 CYS C C 69 173.260 174.405 -1.145 1 1 521 . 15 1 1 A 42 42 CYS CA C 69 52.780 57.326 -4.546 1 1 522 . 15 1 1 A 42 42 CYS CB C 69 39.470 44.350 -4.880 1 1 523 . 15 1 1 A 42 42 CYS N N 69 113.650 114.843 -1.193 1 1 524 . 15 1 1 A 43 43 ILE H H 70 7.550 7.724 -0.174 1 1 525 . 15 1 1 A 43 43 ILE HA H 70 5.210 4.692 0.518 1 1 535 . 15 1 1 A 43 43 ILE C C 70 171.870 175.081 -3.211 1 1 536 . 15 1 1 A 43 43 ILE CA C 70 59.800 62.184 -2.384 1 1 537 . 15 1 1 A 43 43 ILE CB C 70 42.550 38.976 3.574 1 1 541 . 15 1 1 A 43 43 ILE N N 70 118.580 121.286 -2.706 1 1 542 . 15 1 1 A 44 44 SER H H 71 8.190 9.018 -0.828 1 1 543 . 15 1 1 A 44 44 SER HA H 71 5.190 5.151 0.039 1 1 546 . 15 1 1 A 44 44 SER C C 71 173.790 173.556 0.234 1 1 547 . 15 1 1 A 44 44 SER CA C 71 56.980 57.215 -0.235 1 1 548 . 15 1 1 A 44 44 SER CB C 71 64.910 65.146 -0.236 1 1 549 . 15 1 1 A 44 44 SER N N 71 117.640 122.683 -5.043 1 1 550 . 15 1 1 A 45 45 GLY H H 72 9.720 9.663 0.057 1 1 551 . 15 1 1 A 45 45 GLY HA2 H 72 5.280 4.270 1.010 1 1 552 . 15 1 1 A 45 45 GLY HA3 H 72 3.460 4.296 -0.836 1 1 553 . 15 1 1 A 45 45 GLY C C 72 171.300 171.949 -0.649 1 1 554 . 15 1 1 A 45 45 GLY CA C 72 45.230 44.392 0.838 1 1 555 . 15 1 1 A 45 45 GLY N N 72 114.160 114.493 -0.333 1 1 556 . 15 1 1 A 46 46 LYS H H 73 8.340 8.681 -0.341 1 1 557 . 15 1 1 A 46 46 LYS HA H 73 5.530 5.245 0.285 1 1 566 . 15 1 1 A 46 46 LYS C C 73 174.510 174.423 0.087 1 1 567 . 15 1 1 A 46 46 LYS CA C 73 54.930 54.597 0.333 1 1 568 . 15 1 1 A 46 46 LYS CB C 73 36.420 36.399 0.021 1 1 572 . 15 1 1 A 46 46 LYS N N 73 123.520 122.899 0.621 1 1 573 . 15 1 1 A 47 47 ALA H H 74 8.440 7.994 0.446 1 1 574 . 15 1 1 A 47 47 ALA HA H 74 4.400 4.708 -0.308 1 1 578 . 15 1 1 A 47 47 ALA C C 74 175.850 174.997 0.853 1 1 579 . 15 1 1 A 47 47 ALA CA C 74 49.860 51.113 -1.253 1 1 580 . 15 1 1 A 47 47 ALA CB C 74 20.750 22.348 -1.598 1 1 581 . 15 1 1 A 47 47 ALA N N 74 125.710 125.655 0.055 1 1 582 . 15 1 1 A 48 48 VAL H H 75 7.840 7.862 -0.022 1 1 583 . 15 1 1 A 48 48 VAL HA H 75 4.640 4.556 0.084 1 1 591 . 15 1 1 A 48 48 VAL C C 75 176.660 174.479 2.181 1 1 592 . 15 1 1 A 48 48 VAL CA C 75 61.160 60.882 0.278 1 1 593 . 15 1 1 A 48 48 VAL CB C 75 32.180 34.679 -2.499 1 1 596 . 15 1 1 A 48 48 VAL N N 75 120.660 118.786 1.874 1 1 597 . 15 1 1 A 49 49 TYR H H 76 8.340 8.394 -0.054 1 1 598 . 15 1 1 A 49 49 TYR HA H 76 5.230 5.829 -0.599 1 1 605 . 15 1 1 A 49 49 TYR C C 76 173.480 174.088 -0.608 1 1 606 . 15 1 1 A 49 49 TYR CA C 76 54.940 54.842 0.098 1 1 607 . 15 1 1 A 49 49 TYR CB C 76 42.030 41.856 0.174 1 1 612 . 15 1 1 A 49 49 TYR N N 76 126.510 124.169 2.341 1 1 613 . 15 1 1 A 50 50 SER H H 77 8.360 8.400 -0.040 1 1 614 . 15 1 1 A 50 50 SER HA H 77 4.560 5.146 -0.586 1 1 617 . 15 1 1 A 50 50 SER C C 77 171.180 172.955 -1.775 1 1 618 . 15 1 1 A 50 50 SER CA C 77 56.890 57.231 -0.341 1 1 619 . 15 1 1 A 50 50 SER CB C 77 65.650 66.734 -1.084 1 1 620 . 15 1 1 A 50 50 SER N N 77 111.300 115.734 -4.434 1 1 621 . 15 1 1 A 51 51 PHE H H 78 8.660 8.757 -0.097 1 1 622 . 15 1 1 A 51 51 PHE HA H 78 5.860 5.730 0.130 1 1 630 . 15 1 1 A 51 51 PHE C C 78 176.800 174.557 2.243 1 1 631 . 15 1 1 A 51 51 PHE CA C 78 56.090 56.453 -0.363 1 1 632 . 15 1 1 A 51 51 PHE CB C 78 42.280 43.478 -1.198 1 1 638 . 15 1 1 A 51 51 PHE N N 78 116.710 119.598 -2.888 1 1 639 . 15 1 1 A 52 52 ASN H H 79 9.190 9.109 0.081 1 1 640 . 15 1 1 A 52 52 ASN HA H 79 4.900 5.119 -0.219 1 1 645 . 15 1 1 A 52 52 ASN C C 79 174.870 174.408 0.462 1 1 646 . 15 1 1 A 52 52 ASN CA C 79 53.300 52.939 0.361 1 1 647 . 15 1 1 A 52 52 ASN CB C 79 41.350 41.029 0.321 1 1 648 . 15 1 1 A 52 52 ASN N N 79 119.620 120.423 -0.803 1 1 650 . 15 1 1 A 53 53 ALA H H 80 9.650 9.270 0.380 1 1 651 . 15 1 1 A 53 53 ALA HA H 80 4.110 4.111 -0.001 1 1 655 . 15 1 1 A 53 53 ALA C C 80 176.800 177.224 -0.424 1 1 656 . 15 1 1 A 53 53 ALA CA C 80 52.860 53.402 -0.542 1 1 657 . 15 1 1 A 53 53 ALA CB C 80 16.760 17.893 -1.133 1 1 658 . 15 1 1 A 53 53 ALA N N 80 131.210 129.973 1.237 1 1 659 . 15 1 1 A 54 54 GLY H H 81 8.850 8.653 0.197 1 1 660 . 15 1 1 A 54 54 GLY HA2 H 81 4.320 3.893 0.427 1 1 661 . 15 1 1 A 54 54 GLY HA3 H 81 4.220 3.907 0.313 1 1 662 . 15 1 1 A 54 54 GLY C C 81 173.950 173.975 -0.025 1 1 663 . 15 1 1 A 54 54 GLY CA C 81 45.320 45.495 -0.175 1 1 664 . 15 1 1 A 54 54 GLY N N 81 104.570 102.503 2.067 1 1 665 . 15 1 1 A 55 55 LYS H H 82 8.030 7.815 0.215 1 1 666 . 15 1 1 A 55 55 LYS HA H 82 4.910 4.510 0.400 1 1 675 . 15 1 1 A 55 55 LYS C C 82 174.120 175.712 -1.592 1 1 676 . 15 1 1 A 55 55 LYS CA C 82 54.350 56.026 -1.676 1 1 677 . 15 1 1 A 55 55 LYS CB C 82 34.010 32.722 1.288 1 1 681 . 15 1 1 A 55 55 LYS N N 82 120.230 120.422 -0.192 1 1 682 . 15 1 1 A 56 56 PHE H H 83 9.390 9.320 0.070 1 1 683 . 15 1 1 A 56 56 PHE HA H 83 4.250 4.835 -0.585 1 1 691 . 15 1 1 A 56 56 PHE C C 83 173.870 174.319 -0.449 1 1 692 . 15 1 1 A 56 56 PHE CA C 83 56.630 56.770 -0.140 1 1 693 . 15 1 1 A 56 56 PHE CB C 83 40.940 40.753 0.187 1 1 699 . 15 1 1 A 56 56 PHE N N 83 125.150 125.625 -0.475 1 1 700 . 15 1 1 A 57 57 MET H H 84 8.270 8.611 -0.341 1 1 701 . 15 1 1 A 57 57 MET HA H 84 5.140 6.077 -0.937 1 1 709 . 15 1 1 A 57 57 MET C C 84 174.090 174.929 -0.839 1 1 710 . 15 1 1 A 57 57 MET CA C 84 53.600 54.054 -0.454 1 1 711 . 15 1 1 A 57 57 MET CB C 84 36.190 37.007 -0.817 1 1 714 . 15 1 1 A 57 57 MET N N 84 124.270 125.149 -0.879 1 1 715 . 15 1 1 A 58 58 GLY H H 85 7.420 8.305 -0.885 1 1 716 . 15 1 1 A 58 58 GLY HA2 H 85 3.900 3.867 0.033 1 1 717 . 15 1 1 A 58 58 GLY HA3 H 85 2.790 3.921 -1.131 1 1 718 . 15 1 1 A 58 58 GLY C C 85 169.900 171.733 -1.833 1 1 719 . 15 1 1 A 58 58 GLY CA C 85 45.620 45.292 0.328 1 1 720 . 15 1 1 A 58 58 GLY N N 85 103.440 107.703 -4.263 1 1 721 . 15 1 1 A 59 59 ASN H H 86 8.410 8.337 0.073 1 1 722 . 15 1 1 A 59 59 ASN HA H 86 4.890 5.033 -0.143 1 1 727 . 15 1 1 A 59 59 ASN C C 86 174.650 174.071 0.579 1 1 728 . 15 1 1 A 59 59 ASN CA C 86 51.110 52.264 -1.154 1 1 729 . 15 1 1 A 59 59 ASN CB C 86 38.140 39.928 -1.788 1 1 730 . 15 1 1 A 59 59 ASN N N 86 122.270 121.954 0.316 1 1 732 . 15 1 1 A 60 60 PHE H H 87 8.870 9.057 -0.187 1 1 733 . 15 1 1 A 60 60 PHE HA H 87 4.120 5.081 -0.961 1 1 741 . 15 1 1 A 60 60 PHE C C 87 175.620 174.748 0.872 1 1 742 . 15 1 1 A 60 60 PHE CA C 87 58.850 56.374 2.476 1 1 743 . 15 1 1 A 60 60 PHE CB C 87 39.910 41.245 -1.335 1 1 749 . 15 1 1 A 60 60 PHE N N 87 123.420 125.875 -2.455 1 1 750 . 15 1 1 A 61 61 ASN H H 88 8.610 9.580 -0.970 1 1 751 . 15 1 1 A 61 61 ASN HA H 88 4.900 5.120 -0.220 1 1 756 . 15 1 1 A 61 61 ASN C C 88 175.090 174.041 1.049 1 1 757 . 15 1 1 A 61 61 ASN CA C 88 52.690 52.275 0.415 1 1 758 . 15 1 1 A 61 61 ASN CB C 88 39.830 39.899 -0.069 1 1 759 . 15 1 1 A 61 61 ASN N N 88 121.520 119.826 1.694 1 1 761 . 15 1 1 A 62 62 VAL H H 89 8.890 8.948 -0.058 1 1 762 . 15 1 1 A 62 62 VAL HA H 89 4.820 4.557 0.263 1 1 770 . 15 1 1 A 62 62 VAL C C 89 174.650 174.358 0.292 1 1 771 . 15 1 1 A 62 62 VAL CA C 89 60.870 61.100 -0.230 1 1 772 . 15 1 1 A 62 62 VAL CB C 89 34.690 34.191 0.499 1 1 775 . 15 1 1 A 62 62 VAL N N 89 123.750 125.125 -1.375 1 1 776 . 15 1 1 A 63 63 LYS H H 90 8.750 9.498 -0.748 1 1 777 . 15 1 1 A 63 63 LYS HA H 90 4.670 4.950 -0.280 1 1 786 . 15 1 1 A 63 63 LYS C C 90 174.990 175.411 -0.421 1 1 787 . 15 1 1 A 63 63 LYS CA C 90 55.010 55.205 -0.195 1 1 788 . 15 1 1 A 63 63 LYS CB C 90 34.030 34.012 0.018 1 1 792 . 15 1 1 A 63 63 LYS N N 90 126.210 127.752 -1.542 1 1 793 . 15 1 1 A 64 64 GLU H H 91 9.170 8.988 0.182 1 1 794 . 15 1 1 A 64 64 GLU HA H 91 5.020 5.123 -0.103 1 1 799 . 15 1 1 A 64 64 GLU C C 91 175.680 175.216 0.464 1 1 800 . 15 1 1 A 64 64 GLU CA C 91 54.400 55.105 -0.705 1 1 801 . 15 1 1 A 64 64 GLU CB C 91 32.690 33.669 -0.979 1 1 803 . 15 1 1 A 64 64 GLU N N 91 128.500 127.653 0.847 1 1 804 . 15 1 1 A 65 65 VAL H H 92 8.330 9.177 -0.847 1 1 805 . 15 1 1 A 65 65 VAL HA H 92 3.880 5.109 -1.229 1 1 813 . 15 1 1 A 65 65 VAL C C 92 175.940 174.566 1.374 1 1 814 . 15 1 1 A 65 65 VAL CA C 92 62.290 60.045 2.245 1 1 815 . 15 1 1 A 65 65 VAL CB C 92 32.080 34.662 -2.582 1 1 818 . 15 1 1 A 65 65 VAL N N 92 126.870 119.636 7.234 1 1 819 . 15 1 1 A 66 66 ASP H H 93 8.810 8.771 0.039 1 1 820 . 15 1 1 A 66 66 ASP HA H 93 4.440 5.361 -0.921 1 1 823 . 15 1 1 A 66 66 ASP C C 93 177.330 176.944 0.386 1 1 824 . 15 1 1 A 66 66 ASP CA C 93 55.950 52.876 3.074 1 1 825 . 15 1 1 A 66 66 ASP CB C 93 40.760 44.097 -3.337 1 1 826 . 15 1 1 A 66 66 ASP N N 93 130.720 122.198 8.522 1 1 827 . 15 1 1 A 67 67 GLY H H 94 8.910 8.814 0.096 1 1 828 . 15 1 1 A 67 67 GLY HA2 H 94 4.020 3.931 0.089 1 1 829 . 15 1 1 A 67 67 GLY HA3 H 94 3.820 3.939 -0.119 1 1 830 . 15 1 1 A 67 67 GLY C C 94 173.530 174.865 -1.335 1 1 831 . 15 1 1 A 67 67 GLY CA C 94 45.830 45.235 0.595 1 1 832 . 15 1 1 A 67 67 GLY N N 94 112.760 110.425 2.335 1 1 833 . 15 1 1 A 68 68 CYS H H 95 7.540 8.028 -0.488 1 1 834 . 15 1 1 A 68 68 CYS HA H 95 4.260 4.052 0.208 1 1 837 . 15 1 1 A 68 68 CYS C C 95 175.640 175.197 0.443 1 1 838 . 15 1 1 A 68 68 CYS CA C 95 58.280 59.549 -1.269 1 1 839 . 15 1 1 A 68 68 CYS CB C 95 38.240 41.623 -3.383 1 1 840 . 15 1 1 A 68 68 CYS N N 95 119.700 119.800 -0.100 1 1 841 . 15 1 1 A 69 69 PHE H H 96 8.850 7.727 1.123 1 1 842 . 15 1 1 A 69 69 PHE HA H 96 5.010 4.623 0.387 1 1 850 . 15 1 1 A 69 69 PHE C C 96 177.330 175.307 2.023 1 1 851 . 15 1 1 A 69 69 PHE CA C 96 56.460 57.630 -1.170 1 1 852 . 15 1 1 A 69 69 PHE CB C 96 40.020 38.779 1.241 1 1 858 . 15 1 1 A 69 69 PHE N N 96 117.790 116.989 0.801 1 1 859 . 15 1 1 A 70 70 MET H H 97 8.710 7.993 0.717 1 1 860 . 15 1 1 A 70 70 MET HA H 97 4.700 4.157 0.543 1 1 868 . 15 1 1 A 70 70 MET C C 97 177.650 176.074 1.576 1 1 869 . 15 1 1 A 70 70 MET CA C 97 54.570 57.585 -3.015 1 1 870 . 15 1 1 A 70 70 MET CB C 97 33.990 31.405 2.585 1 1 873 . 15 1 1 A 70 70 MET N N 97 119.890 116.432 3.458 1 1 874 . 15 1 1 A 71 71 ASP H H 98 8.980 8.644 0.336 1 1 875 . 15 1 1 A 71 71 ASP HA H 98 4.280 4.836 -0.556 1 1 878 . 15 1 1 A 71 71 ASP C C 98 177.920 177.060 0.860 1 1 879 . 15 1 1 A 71 71 ASP CA C 98 58.380 55.352 3.028 1 1 880 . 15 1 1 A 71 71 ASP CB C 98 40.100 42.902 -2.802 1 1 881 . 15 1 1 A 71 71 ASP N N 98 123.440 124.859 -1.419 1 1 882 . 15 1 1 A 72 72 ALA H H 99 8.950 8.202 0.748 1 1 883 . 15 1 1 A 72 72 ALA HA H 99 4.030 4.108 -0.078 1 1 887 . 15 1 1 A 72 72 ALA C C 99 180.740 179.334 1.406 1 1 888 . 15 1 1 A 72 72 ALA CA C 99 55.020 54.489 0.531 1 1 889 . 15 1 1 A 72 72 ALA CB C 99 18.280 18.427 -0.147 1 1 890 . 15 1 1 A 72 72 ALA N N 99 119.200 122.519 -3.319 1 1 891 . 15 1 1 A 73 73 GLN H H 100 7.120 7.778 -0.658 1 1 892 . 15 1 1 A 73 73 GLN HA H 100 4.020 4.514 -0.494 1 1 899 . 15 1 1 A 73 73 GLN C C 100 176.880 178.138 -1.258 1 1 900 . 15 1 1 A 73 73 GLN CA C 100 57.720 58.703 -0.983 1 1 901 . 15 1 1 A 73 73 GLN CB C 100 28.940 28.344 0.596 1 1 903 . 15 1 1 A 73 73 GLN N N 100 115.380 117.899 -2.519 1 1 905 . 15 1 1 A 74 74 LYS H H 101 7.760 7.965 -0.205 1 1 906 . 15 1 1 A 74 74 LYS HA H 101 3.510 3.994 -0.484 1 1 915 . 15 1 1 A 74 74 LYS C C 101 177.610 178.525 -0.915 1 1 916 . 15 1 1 A 74 74 LYS CA C 101 58.500 59.299 -0.799 1 1 917 . 15 1 1 A 74 74 LYS CB C 101 31.790 32.340 -0.550 1 1 921 . 15 1 1 A 74 74 LYS N N 101 119.560 121.048 -1.488 1 1 922 . 15 1 1 A 75 75 ILE H H 102 7.760 8.277 -0.517 1 1 923 . 15 1 1 A 75 75 ILE HA H 102 3.750 3.610 0.140 1 1 933 . 15 1 1 A 75 75 ILE C C 102 178.530 177.717 0.813 1 1 934 . 15 1 1 A 75 75 ILE CA C 102 64.200 65.391 -1.191 1 1 935 . 15 1 1 A 75 75 ILE CB C 102 38.170 37.650 0.520 1 1 939 . 15 1 1 A 75 75 ILE N N 102 117.490 119.641 -2.151 1 1 940 . 15 1 1 A 76 76 ALA H H 103 7.090 8.796 -1.706 1 1 941 . 15 1 1 A 76 76 ALA HA H 103 3.990 3.653 0.337 1 1 945 . 15 1 1 A 76 76 ALA C C 103 178.650 180.176 -1.526 1 1 946 . 15 1 1 A 76 76 ALA CA C 103 55.020 55.135 -0.115 1 1 947 . 15 1 1 A 76 76 ALA CB C 103 18.570 18.254 0.316 1 1 948 . 15 1 1 A 76 76 ALA N N 103 121.190 121.837 -0.647 1 1 949 . 15 1 1 A 77 77 ILE H H 104 8.150 7.545 0.605 1 1 950 . 15 1 1 A 77 77 ILE HA H 104 3.420 3.476 -0.056 1 1 960 . 15 1 1 A 77 77 ILE C C 104 176.670 177.243 -0.573 1 1 961 . 15 1 1 A 77 77 ILE CA C 104 63.130 64.404 -1.274 1 1 962 . 15 1 1 A 77 77 ILE CB C 104 36.680 36.426 0.254 1 1 966 . 15 1 1 A 77 77 ILE N N 104 119.240 118.330 0.910 1 1 967 . 15 1 1 A 78 78 ASP H H 105 8.290 8.654 -0.364 1 1 968 . 15 1 1 A 78 78 ASP HA H 105 4.440 4.184 0.256 1 1 971 . 15 1 1 A 78 78 ASP C C 105 180.350 178.379 1.971 1 1 972 . 15 1 1 A 78 78 ASP CA C 105 57.440 57.803 -0.363 1 1 973 . 15 1 1 A 78 78 ASP CB C 105 39.430 41.666 -2.236 1 1 974 . 15 1 1 A 78 78 ASP N N 105 121.080 121.758 -0.678 1 1 975 . 15 1 1 A 79 79 LYS H H 106 7.960 8.199 -0.239 1 1 976 . 15 1 1 A 79 79 LYS HA H 106 4.010 3.923 0.087 1 1 985 . 15 1 1 A 79 79 LYS C C 106 178.580 179.160 -0.580 1 1 986 . 15 1 1 A 79 79 LYS CA C 106 59.780 59.160 0.620 1 1 987 . 15 1 1 A 79 79 LYS CB C 106 31.800 32.049 -0.249 1 1 991 . 15 1 1 A 79 79 LYS N N 106 121.340 118.681 2.659 1 1 992 . 15 1 1 A 80 80 LEU H H 107 8.230 7.981 0.249 1 1 993 . 15 1 1 A 80 80 LEU HA H 107 3.990 4.264 -0.274 1 1 1003 . 15 1 1 A 80 80 LEU C C 107 178.230 178.220 0.010 1 1 1004 . 15 1 1 A 80 80 LEU CA C 107 58.570 58.190 0.380 1 1 1005 . 15 1 1 A 80 80 LEU CB C 107 41.110 41.617 -0.507 1 1 1009 . 15 1 1 A 80 80 LEU N N 107 123.530 121.345 2.185 1 1 1010 . 15 1 1 A 81 81 PHE H H 108 8.050 8.503 -0.453 1 1 1011 . 15 1 1 A 81 81 PHE HA H 108 4.350 3.830 0.520 1 1 1019 . 15 1 1 A 81 81 PHE C C 108 179.570 178.946 0.624 1 1 1020 . 15 1 1 A 81 81 PHE CA C 108 61.070 60.378 0.692 1 1 1021 . 15 1 1 A 81 81 PHE CB C 108 37.010 38.184 -1.174 1 1 1027 . 15 1 1 A 81 81 PHE N N 108 116.720 117.753 -1.033 1 1 1028 . 15 1 1 A 82 82 SER H H 109 8.410 8.847 -0.437 1 1 1029 . 15 1 1 A 82 82 SER HA H 109 4.360 4.323 0.037 1 1 1032 . 15 1 1 A 82 82 SER C C 109 176.200 177.648 -1.448 1 1 1033 . 15 1 1 A 82 82 SER CA C 109 61.830 61.450 0.380 1 1 1034 . 15 1 1 A 82 82 SER CB C 109 62.570 62.658 -0.088 1 1 1035 . 15 1 1 A 82 82 SER N N 109 118.120 116.361 1.759 1 1 1036 . 15 1 1 A 83 83 MET H H 110 8.420 8.242 0.178 1 1 1037 . 15 1 1 A 83 83 MET HA H 110 4.210 4.142 0.068 1 1 1043 . 15 1 1 A 83 83 MET C C 110 178.260 178.832 -0.572 1 1 1044 . 15 1 1 A 83 83 MET CA C 110 59.170 59.072 0.098 1 1 1045 . 15 1 1 A 83 83 MET CB C 110 31.240 32.742 -1.502 1 1 1047 . 15 1 1 A 83 83 MET N N 110 123.040 120.491 2.549 1 1 1048 . 15 1 1 A 84 84 LEU H H 111 8.080 8.151 -0.071 1 1 1049 . 15 1 1 A 84 84 LEU HA H 111 4.140 4.041 0.099 1 1 1059 . 15 1 1 A 84 84 LEU C C 111 178.030 179.427 -1.397 1 1 1060 . 15 1 1 A 84 84 LEU CA C 111 57.390 58.219 -0.829 1 1 1061 . 15 1 1 A 84 84 LEU CB C 111 41.430 41.737 -0.307 1 1 1065 . 15 1 1 A 84 84 LEU N N 111 117.910 119.827 -1.917 1 1 1066 . 15 1 1 A 85 85 LYS H H 112 7.640 7.654 -0.014 1 1 1067 . 15 1 1 A 85 85 LYS HA H 112 4.110 4.124 -0.014 1 1 1076 . 15 1 1 A 85 85 LYS C C 112 177.650 178.457 -0.807 1 1 1077 . 15 1 1 A 85 85 LYS CA C 112 58.750 59.542 -0.792 1 1 1078 . 15 1 1 A 85 85 LYS CB C 112 32.240 31.919 0.321 1 1 1082 . 15 1 1 A 85 85 LYS N N 112 119.340 117.817 1.523 1 1 1083 . 15 1 1 A 86 86 ASP H H 113 7.350 7.694 -0.344 1 1 1084 . 15 1 1 A 86 86 ASP HA H 113 4.570 4.705 -0.135 1 1 1087 . 15 1 1 A 86 86 ASP C C 113 176.950 176.378 0.572 1 1 1088 . 15 1 1 A 86 86 ASP CA C 113 55.770 54.203 1.567 1 1 1089 . 15 1 1 A 86 86 ASP CB C 113 42.420 41.474 0.946 1 1 1090 . 15 1 1 A 86 86 ASP N N 113 117.210 117.315 -0.105 1 1 1091 . 15 1 1 A 87 87 GLY H H 114 7.760 7.862 -0.102 1 1 1092 . 15 1 1 A 87 87 GLY HA2 H 114 4.380 4.039 0.341 1 1 1093 . 15 1 1 A 87 87 GLY HA3 H 114 4.380 4.053 0.327 1 1 1094 . 15 1 1 A 87 87 GLY C C 114 173.000 174.241 -1.241 1 1 1095 . 15 1 1 A 87 87 GLY CA C 114 44.490 45.541 -1.051 1 1 1096 . 15 1 1 A 87 87 GLY N N 114 107.740 106.838 0.902 1 1 1097 . 15 1 1 A 88 88 VAL H H 115 9.350 8.716 0.634 1 1 1098 . 15 1 1 A 88 88 VAL HA H 115 4.960 4.534 0.426 1 1 1106 . 15 1 1 A 88 88 VAL C C 115 173.100 174.608 -1.508 1 1 1107 . 15 1 1 A 88 88 VAL CA C 115 58.650 62.617 -3.967 1 1 1108 . 15 1 1 A 88 88 VAL CB C 115 35.910 32.880 3.030 1 1 1111 . 15 1 1 A 88 88 VAL N N 115 118.050 123.680 -5.630 1 1 1112 . 15 1 1 A 89 89 VAL H H 116 9.000 9.584 -0.584 1 1 1113 . 15 1 1 A 89 89 VAL HA H 116 4.550 4.936 -0.386 1 1 1121 . 15 1 1 A 89 89 VAL C C 116 174.640 174.860 -0.220 1 1 1122 . 15 1 1 A 89 89 VAL CA C 116 61.360 59.883 1.477 1 1 1123 . 15 1 1 A 89 89 VAL CB C 116 33.760 34.216 -0.456 1 1 1126 . 15 1 1 A 89 89 VAL N N 116 121.030 127.690 -6.660 1 1 1127 . 15 1 1 A 90 90 LEU H H 117 8.950 8.687 0.263 1 1 1128 . 15 1 1 A 90 90 LEU HA H 117 5.160 5.452 -0.292 1 1 1138 . 15 1 1 A 90 90 LEU C C 117 176.150 176.719 -0.569 1 1 1139 . 15 1 1 A 90 90 LEU CA C 117 52.230 54.686 -2.456 1 1 1140 . 15 1 1 A 90 90 LEU CB C 117 44.280 41.674 2.606 1 1 1144 . 15 1 1 A 90 90 LEU N N 117 125.420 129.468 -4.048 1 1 1145 . 15 1 1 A 91 91 LYS H H 118 8.280 8.349 -0.069 1 1 1146 . 15 1 1 A 91 91 LYS HA H 118 4.900 4.554 0.346 1 1 1155 . 15 1 1 A 91 91 LYS C C 118 175.300 175.128 0.172 1 1 1156 . 15 1 1 A 91 91 LYS CA C 118 53.810 55.442 -1.632 1 1 1157 . 15 1 1 A 91 91 LYS CB C 118 36.840 36.537 0.303 1 1 1161 . 15 1 1 A 91 91 LYS N N 118 119.720 121.680 -1.960 1 1 1162 . 15 1 1 A 92 92 GLY H H 119 9.030 8.401 0.629 1 1 1163 . 15 1 1 A 92 92 GLY HA2 H 119 3.750 4.243 -0.493 1 1 1164 . 15 1 1 A 92 92 GLY HA3 H 119 3.750 4.250 -0.500 1 1 1165 . 15 1 1 A 92 92 GLY CA C 119 43.980 45.830 -1.850 1 1 1166 . 15 1 1 A 92 92 GLY N N 119 109.730 108.376 1.354 1 1 1167 . 15 1 1 A 94 94 LYS HA H 121 4.760 4.627 0.133 1 1 1168 . 15 1 1 A 95 95 ILE H H 122 7.700 8.682 -0.982 1 1 1169 . 15 1 1 A 95 95 ILE HA H 122 4.160 4.865 -0.705 1 1 1179 . 15 1 1 A 95 95 ILE CA C 122 61.270 58.681 2.589 1 1 1180 . 15 1 1 A 95 95 ILE CB C 122 37.590 42.246 -4.656 1 1 1184 . 15 1 1 A 95 95 ILE N N 122 117.400 119.672 -2.272 1 1 1185 . 15 1 1 A 98 98 THR HA H 125 5.810 4.774 1.036 1 1 1190 . 15 1 1 A 98 98 THR CA C 125 61.740 61.327 0.413 1 1 1191 . 15 1 1 A 98 98 THR CB C 125 73.450 72.599 0.851 1 1 1193 . 15 1 1 A 99 99 ILE HA H 126 4.630 4.655 -0.025 1 1 1203 . 15 1 1 A 99 99 ILE C C 126 174.430 174.761 -0.331 1 1 1204 . 15 1 1 A 99 99 ILE CA C 126 59.980 59.666 0.314 1 1 1205 . 15 1 1 A 99 99 ILE CB C 126 40.970 39.883 1.087 1 1 1209 . 15 1 1 A 100 100 LEU H H 127 9.530 8.881 0.649 1 1 1210 . 15 1 1 A 100 100 LEU HA H 127 4.420 5.067 -0.647 1 1 1220 . 15 1 1 A 100 100 LEU C C 127 174.930 175.499 -0.569 1 1 1221 . 15 1 1 A 100 100 LEU CA C 127 54.030 53.619 0.411 1 1 1222 . 15 1 1 A 100 100 LEU CB C 127 42.520 45.090 -2.570 1 1 1226 . 15 1 1 A 100 100 LEU N N 127 127.300 126.050 1.250 1 1 1227 . 15 1 1 A 101 101 ILE H H 128 8.260 9.278 -1.018 1 1 1228 . 15 1 1 A 101 101 ILE HA H 128 4.320 4.754 -0.434 1 1 1238 . 15 1 1 A 101 101 ILE C C 128 173.880 174.623 -0.743 1 1 1239 . 15 1 1 A 101 101 ILE CA C 128 60.900 60.309 0.591 1 1 1240 . 15 1 1 A 101 101 ILE CB C 128 37.410 38.637 -1.227 1 1 1244 . 15 1 1 A 101 101 ILE N N 128 119.990 123.163 -3.173 1 1 1245 . 15 1 1 A 102 102 GLU H H 129 9.580 8.729 0.851 1 1 1246 . 15 1 1 A 102 102 GLU HA H 129 5.120 5.328 -0.208 1 1 1251 . 15 1 1 A 102 102 GLU C C 129 174.240 174.578 -0.338 1 1 1252 . 15 1 1 A 102 102 GLU CA C 129 54.050 54.889 -0.839 1 1 1253 . 15 1 1 A 102 102 GLU CB C 129 33.630 33.604 0.026 1 1 1255 . 15 1 1 A 102 102 GLU N N 129 129.780 129.446 0.334 1 1 1256 . 15 1 1 A 103 103 LYS H H 130 8.680 8.528 0.152 1 1 1257 . 15 1 1 A 103 103 LYS HA H 130 4.720 4.849 -0.129 1 1 1264 . 15 1 1 A 103 103 LYS C C 130 175.280 174.761 0.519 1 1 1265 . 15 1 1 A 103 103 LYS CA C 130 55.190 55.272 -0.082 1 1 1266 . 15 1 1 A 103 103 LYS CB C 130 36.750 35.577 1.173 1 1 1270 . 15 1 1 A 103 103 LYS N N 130 123.420 122.542 0.878 1 1 1271 . 15 1 1 A 104 104 ASP H H 131 9.530 9.396 0.134 1 1 1272 . 15 1 1 A 104 104 ASP HA H 131 4.290 4.357 -0.067 1 1 1275 . 15 1 1 A 104 104 ASP C C 131 176.090 176.426 -0.336 1 1 1276 . 15 1 1 A 104 104 ASP CA C 131 55.370 55.264 0.106 1 1 1277 . 15 1 1 A 104 104 ASP CB C 131 39.260 39.179 0.081 1 1 1278 . 15 1 1 A 104 104 ASP N N 131 127.440 119.828 7.612 1 1 1279 . 15 1 1 A 105 105 GLY H H 132 8.970 8.735 0.235 1 1 1280 . 15 1 1 A 105 105 GLY HA2 H 132 4.090 3.882 0.208 1 1 1281 . 15 1 1 A 105 105 GLY HA3 H 132 3.550 3.883 -0.333 1 1 1282 . 15 1 1 A 105 105 GLY C C 132 173.130 173.430 -0.300 1 1 1283 . 15 1 1 A 105 105 GLY CA C 132 45.230 45.779 -0.549 1 1 1284 . 15 1 1 A 105 105 GLY N N 132 103.820 104.856 -1.036 1 1 1285 . 15 1 1 A 106 106 GLU H H 133 7.720 7.600 0.120 1 1 1286 . 15 1 1 A 106 106 GLU HA H 133 4.720 4.712 0.008 1 1 1291 . 15 1 1 A 106 106 GLU C C 133 174.940 173.888 1.052 1 1 1292 . 15 1 1 A 106 106 GLU CA C 133 53.770 54.733 -0.963 1 1 1293 . 15 1 1 A 106 106 GLU CB C 133 32.820 32.197 0.623 1 1 1295 . 15 1 1 A 106 106 GLU N N 133 120.200 115.660 4.540 1 1 1296 . 15 1 1 A 107 107 VAL H H 134 8.900 8.740 0.160 1 1 1297 . 15 1 1 A 107 107 VAL HA H 134 3.760 4.247 -0.487 1 1 1305 . 15 1 1 A 107 107 VAL C C 134 175.340 175.930 -0.590 1 1 1306 . 15 1 1 A 107 107 VAL CA C 134 64.230 61.749 2.481 1 1 1307 . 15 1 1 A 107 107 VAL CB C 134 31.160 32.836 -1.676 1 1 1310 . 15 1 1 A 107 107 VAL N N 134 125.990 122.572 3.418 1 1 1311 . 15 1 1 A 108 108 LYS H H 135 9.250 8.610 0.640 1 1 1312 . 15 1 1 A 108 108 LYS HA H 135 4.810 4.489 0.321 1 1 1321 . 15 1 1 A 108 108 LYS C C 135 174.390 175.638 -1.248 1 1 1322 . 15 1 1 A 108 108 LYS CA C 135 54.740 55.673 -0.933 1 1 1323 . 15 1 1 A 108 108 LYS CB C 135 34.690 33.685 1.005 1 1 1327 . 15 1 1 A 108 108 LYS N N 135 126.060 124.212 1.848 1 1 1328 . 15 1 1 A 109 109 LEU H H 136 7.690 7.234 0.456 1 1 1329 . 15 1 1 A 109 109 LEU HA H 136 4.820 5.294 -0.474 1 1 1339 . 15 1 1 A 109 109 LEU C C 136 172.450 174.372 -1.922 1 1 1340 . 15 1 1 A 109 109 LEU CA C 136 53.250 53.651 -0.401 1 1 1341 . 15 1 1 A 109 109 LEU CB C 136 47.800 45.672 2.128 1 1 1345 . 15 1 1 A 109 109 LEU N N 136 116.670 120.628 -3.958 1 1 1346 . 15 1 1 A 110 110 LYS H H 137 9.170 8.775 0.395 1 1 1347 . 15 1 1 A 110 110 LYS HA H 137 5.050 4.912 0.138 1 1 1356 . 15 1 1 A 110 110 LYS C C 137 172.760 174.920 -2.160 1 1 1357 . 15 1 1 A 110 110 LYS CA C 137 54.090 54.698 -0.608 1 1 1358 . 15 1 1 A 110 110 LYS CB C 137 36.560 36.909 -0.349 1 1 1362 . 15 1 1 A 110 110 LYS N N 137 117.050 122.063 -5.013 1 1 1363 . 15 1 1 A 111 111 LEU H H 138 9.400 9.042 0.358 1 1 1364 . 15 1 1 A 111 111 LEU HA H 138 5.250 4.884 0.366 1 1 1374 . 15 1 1 A 111 111 LEU C C 138 176.470 176.644 -0.174 1 1 1375 . 15 1 1 A 111 111 LEU CA C 138 52.230 53.710 -1.480 1 1 1376 . 15 1 1 A 111 111 LEU CB C 138 42.810 41.678 1.132 1 1 1380 . 15 1 1 A 111 111 LEU N N 138 121.800 121.320 0.480 1 1 1381 . 15 1 1 A 112 112 ILE H H 139 9.080 8.995 0.085 1 1 1382 . 15 1 1 A 112 112 ILE HA H 139 5.420 4.382 1.038 1 1 1392 . 15 1 1 A 112 112 ILE C C 139 175.710 174.435 1.275 1 1 1393 . 15 1 1 A 112 112 ILE CA C 139 59.170 62.767 -3.597 1 1 1394 . 15 1 1 A 112 112 ILE CB C 139 41.010 37.046 3.964 1 1 1398 . 15 1 1 A 112 112 ILE N N 139 120.350 120.071 0.279 1 1 1399 . 15 1 1 A 113 113 ARG H H 140 8.550 8.576 -0.026 1 1 1400 . 15 1 1 A 113 113 ARG HA H 140 3.940 4.488 -0.548 1 1 1403 . 15 1 1 A 113 113 ARG C C 140 176.030 174.723 1.307 1 1 1404 . 15 1 1 A 113 113 ARG CA C 140 56.180 55.212 0.968 1 1 1405 . 15 1 1 A 113 113 ARG CB C 140 30.770 28.792 1.978 1 1 1408 . 15 1 1 A 113 113 ARG N N 140 127.710 127.476 0.234 1 1 1409 . 15 1 1 A 114 114 GLY H H 141 8.530 7.622 0.908 1 1 1410 . 15 1 1 A 114 114 GLY HA2 H 141 4.000 4.138 -0.138 1 1 1411 . 15 1 1 A 114 114 GLY HA3 H 141 3.820 4.139 -0.319 1 1 1412 . 15 1 1 A 114 114 GLY C C 141 172.650 171.726 0.924 1 1 1413 . 15 1 1 A 114 114 GLY CA C 141 45.100 45.588 -0.488 1 1 1414 . 15 1 1 A 114 114 GLY N N 141 111.410 112.257 -0.847 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 104 1.095 1 2 1 1 1 "RMS(OBS, PRED)" CA 109 1.329 1 3 1 1 1 "RMS(OBS, PRED)" CB 101 1.598 1 4 1 1 1 "RMS(OBS, PRED)" H 104 0.509 1 5 1 1 1 "RMS(OBS, PRED)" HA 118 0.437 1 6 1 1 1 "RMS(OBS, PRED)" N 104 3.308 1 7 1 2 1 "RMS(OBS, PRED)" C 104 1.050 1 8 1 2 1 "RMS(OBS, PRED)" CA 109 1.318 1 9 1 2 1 "RMS(OBS, PRED)" CB 101 1.655 1 10 1 2 1 "RMS(OBS, PRED)" H 104 0.485 1 11 1 2 1 "RMS(OBS, PRED)" HA 118 0.436 1 12 1 2 1 "RMS(OBS, PRED)" N 104 3.002 1 13 1 3 1 "RMS(OBS, PRED)" C 104 1.033 1 14 1 3 1 "RMS(OBS, PRED)" CA 109 1.277 1 15 1 3 1 "RMS(OBS, PRED)" CB 101 1.506 1 16 1 3 1 "RMS(OBS, PRED)" H 104 0.504 1 17 1 3 1 "RMS(OBS, PRED)" HA 118 0.422 1 18 1 3 1 "RMS(OBS, PRED)" N 104 3.189 1 19 1 4 1 "RMS(OBS, PRED)" C 104 1.125 1 20 1 4 1 "RMS(OBS, PRED)" CA 109 1.403 1 21 1 4 1 "RMS(OBS, PRED)" CB 101 1.607 1 22 1 4 1 "RMS(OBS, PRED)" H 104 0.512 1 23 1 4 1 "RMS(OBS, PRED)" HA 118 0.441 1 24 1 4 1 "RMS(OBS, PRED)" N 104 3.032 1 25 1 5 1 "RMS(OBS, PRED)" C 104 1.075 1 26 1 5 1 "RMS(OBS, PRED)" CA 109 1.370 1 27 1 5 1 "RMS(OBS, PRED)" CB 101 1.620 1 28 1 5 1 "RMS(OBS, PRED)" H 104 0.509 1 29 1 5 1 "RMS(OBS, PRED)" HA 118 0.439 1 30 1 5 1 "RMS(OBS, PRED)" N 104 3.143 1 31 1 6 1 "RMS(OBS, PRED)" C 104 1.065 1 32 1 6 1 "RMS(OBS, PRED)" CA 109 1.338 1 33 1 6 1 "RMS(OBS, PRED)" CB 101 1.595 1 34 1 6 1 "RMS(OBS, PRED)" H 104 0.512 1 35 1 6 1 "RMS(OBS, PRED)" HA 118 0.429 1 36 1 6 1 "RMS(OBS, PRED)" N 104 3.306 1 37 1 7 1 "RMS(OBS, PRED)" C 104 1.054 1 38 1 7 1 "RMS(OBS, PRED)" CA 109 1.303 1 39 1 7 1 "RMS(OBS, PRED)" CB 101 1.623 1 40 1 7 1 "RMS(OBS, PRED)" H 104 0.521 1 41 1 7 1 "RMS(OBS, PRED)" HA 118 0.422 1 42 1 7 1 "RMS(OBS, PRED)" N 104 3.142 1 43 1 8 1 "RMS(OBS, PRED)" C 104 1.039 1 44 1 8 1 "RMS(OBS, PRED)" CA 109 1.302 1 45 1 8 1 "RMS(OBS, PRED)" CB 101 1.569 1 46 1 8 1 "RMS(OBS, PRED)" H 104 0.522 1 47 1 8 1 "RMS(OBS, PRED)" HA 118 0.439 1 48 1 8 1 "RMS(OBS, PRED)" N 104 3.254 1 49 1 9 1 "RMS(OBS, PRED)" C 104 1.083 1 50 1 9 1 "RMS(OBS, PRED)" CA 109 1.337 1 51 1 9 1 "RMS(OBS, PRED)" CB 101 1.585 1 52 1 9 1 "RMS(OBS, PRED)" H 104 0.522 1 53 1 9 1 "RMS(OBS, PRED)" HA 118 0.420 1 54 1 9 1 "RMS(OBS, PRED)" N 104 3.225 1 55 1 10 1 "RMS(OBS, PRED)" C 104 1.085 1 56 1 10 1 "RMS(OBS, PRED)" CA 109 1.384 1 57 1 10 1 "RMS(OBS, PRED)" CB 101 1.626 1 58 1 10 1 "RMS(OBS, PRED)" H 104 0.496 1 59 1 10 1 "RMS(OBS, PRED)" HA 118 0.419 1 60 1 10 1 "RMS(OBS, PRED)" N 104 3.140 1 61 1 11 1 "RMS(OBS, PRED)" C 104 1.063 1 62 1 11 1 "RMS(OBS, PRED)" CA 109 1.320 1 63 1 11 1 "RMS(OBS, PRED)" CB 101 1.609 1 64 1 11 1 "RMS(OBS, PRED)" H 104 0.484 1 65 1 11 1 "RMS(OBS, PRED)" HA 118 0.481 1 66 1 11 1 "RMS(OBS, PRED)" N 104 3.015 1 67 1 12 1 "RMS(OBS, PRED)" C 104 1.079 1 68 1 12 1 "RMS(OBS, PRED)" CA 109 1.367 1 69 1 12 1 "RMS(OBS, PRED)" CB 101 1.645 1 70 1 12 1 "RMS(OBS, PRED)" H 104 0.514 1 71 1 12 1 "RMS(OBS, PRED)" HA 118 0.442 1 72 1 12 1 "RMS(OBS, PRED)" N 104 3.353 1 73 1 13 1 "RMS(OBS, PRED)" C 104 1.031 1 74 1 13 1 "RMS(OBS, PRED)" CA 109 1.320 1 75 1 13 1 "RMS(OBS, PRED)" CB 101 1.664 1 76 1 13 1 "RMS(OBS, PRED)" H 104 0.511 1 77 1 13 1 "RMS(OBS, PRED)" HA 118 0.421 1 78 1 13 1 "RMS(OBS, PRED)" N 104 3.015 1 79 1 14 1 "RMS(OBS, PRED)" C 104 1.057 1 80 1 14 1 "RMS(OBS, PRED)" CA 109 1.328 1 81 1 14 1 "RMS(OBS, PRED)" CB 101 1.645 1 82 1 14 1 "RMS(OBS, PRED)" H 104 0.479 1 83 1 14 1 "RMS(OBS, PRED)" HA 118 0.461 1 84 1 14 1 "RMS(OBS, PRED)" N 104 3.230 1 85 1 15 1 "RMS(OBS, PRED)" C 104 1.091 1 86 1 15 1 "RMS(OBS, PRED)" CA 109 1.363 1 87 1 15 1 "RMS(OBS, PRED)" CB 101 1.642 1 88 1 15 1 "RMS(OBS, PRED)" H 104 0.508 1 89 1 15 1 "RMS(OBS, PRED)" HA 118 0.431 1 90 1 15 1 "RMS(OBS, PRED)" N 104 3.027 1 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Conformer_type "average" _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 A 2 2 SER HA H 29 4.540 4.427 0.113 2 1 4 . 1 1 A 2 2 SER C C 29 174.370 174.281 0.089 2 1 5 . 1 1 A 2 2 SER CA C 29 58.380 59.529 -1.149 2 1 6 . 1 1 A 2 2 SER CB C 29 63.670 62.479 1.191 2 1 7 . 1 1 A 3 3 SER H H 30 8.530 8.195 0.335 2 1 8 . 1 1 A 3 3 SER HA H 30 4.480 4.910 -0.430 2 1 11 . 1 1 A 3 3 SER C C 30 174.610 173.651 0.959 2 1 12 . 1 1 A 3 3 SER CA C 30 58.380 58.080 0.300 2 1 13 . 1 1 A 3 3 SER CB C 30 63.690 63.377 0.313 2 1 14 . 1 1 A 3 3 SER N N 30 117.760 115.788 1.972 2 1 15 . 1 1 A 4 4 ASN H H 31 8.600 8.601 -0.001 2 1 16 . 1 1 A 4 4 ASN HA H 31 4.710 4.962 -0.252 2 1 21 . 1 1 A 4 4 ASN C C 31 175.840 174.761 1.079 2 1 22 . 1 1 A 4 4 ASN CA C 31 53.880 53.724 0.156 2 1 23 . 1 1 A 4 4 ASN CB C 31 38.520 39.284 -0.764 2 1 24 . 1 1 A 4 4 ASN N N 31 120.910 122.006 -1.096 2 1 26 . 1 1 A 5 5 SER H H 32 8.360 8.249 0.111 2 1 27 . 1 1 A 5 5 SER HA H 32 4.420 4.590 -0.170 2 1 30 . 1 1 A 5 5 SER C C 32 174.700 174.545 0.155 2 1 31 . 1 1 A 5 5 SER CA C 32 59.310 59.100 0.210 2 1 32 . 1 1 A 5 5 SER CB C 32 63.410 63.664 -0.254 2 1 33 . 1 1 A 5 5 SER N N 32 115.920 116.407 -0.487 2 1 34 . 1 1 A 6 6 GLU H H 33 8.370 8.666 -0.296 2 1 35 . 1 1 A 6 6 GLU HA H 33 4.530 3.964 0.566 2 1 40 . 1 1 A 6 6 GLU C C 33 176.390 175.574 0.816 2 1 41 . 1 1 A 6 6 GLU CA C 33 56.510 57.603 -1.093 2 1 42 . 1 1 A 6 6 GLU CB C 33 29.850 28.135 1.715 2 1 44 . 1 1 A 6 6 GLU N N 33 121.670 120.659 1.011 2 1 45 . 1 1 A 7 7 LYS H H 34 8.120 7.782 0.338 2 1 46 . 1 1 A 7 7 LYS HA H 34 4.370 4.107 0.263 2 1 55 . 1 1 A 7 7 LYS C C 34 176.060 175.231 0.829 2 1 56 . 1 1 A 7 7 LYS CA C 34 56.140 55.378 0.762 2 1 57 . 1 1 A 7 7 LYS CB C 34 33.200 32.317 0.883 2 1 61 . 1 1 A 7 7 LYS N N 34 121.020 119.781 1.239 2 1 62 . 1 1 A 8 8 GLU H H 35 8.550 8.434 0.116 2 1 63 . 1 1 A 8 8 GLU HA H 35 4.830 4.462 0.368 2 1 68 . 1 1 A 8 8 GLU C C 35 175.050 175.185 -0.135 2 1 69 . 1 1 A 8 8 GLU CA C 35 56.390 55.886 0.504 2 1 70 . 1 1 A 8 8 GLU CB C 35 31.340 29.805 1.535 2 1 72 . 1 1 A 8 8 GLU N N 35 122.450 124.151 -1.701 2 1 73 . 1 1 A 9 9 TRP H H 36 9.680 8.964 0.716 2 1 74 . 1 1 A 9 9 TRP HA H 36 4.860 5.137 -0.277 2 1 80 . 1 1 A 9 9 TRP C C 36 175.390 175.849 -0.459 2 1 81 . 1 1 A 9 9 TRP CA C 36 55.890 56.320 -0.430 2 1 82 . 1 1 A 9 9 TRP CB C 36 30.810 30.668 0.142 2 1 85 . 1 1 A 9 9 TRP N N 36 122.800 126.619 -3.819 2 1 87 . 1 1 A 10 10 HIS H H 37 9.690 9.128 0.562 2 1 88 . 1 1 A 10 10 HIS HA H 37 4.990 5.047 -0.057 2 1 93 . 1 1 A 10 10 HIS C C 37 174.840 174.713 0.127 2 1 94 . 1 1 A 10 10 HIS CA C 37 54.720 55.641 -0.921 2 1 95 . 1 1 A 10 10 HIS CB C 37 29.840 30.493 -0.653 2 1 98 . 1 1 A 10 10 HIS N N 37 120.400 122.301 -1.901 2 1 99 . 1 1 A 11 11 ILE H H 38 7.740 8.428 -0.688 2 1 100 . 1 1 A 11 11 ILE HA H 38 4.360 4.642 -0.282 2 1 110 . 1 1 A 11 11 ILE C C 38 175.030 175.579 -0.549 2 1 111 . 1 1 A 11 11 ILE CA C 38 62.110 62.221 -0.111 2 1 112 . 1 1 A 11 11 ILE CB C 38 37.590 37.786 -0.196 2 1 116 . 1 1 A 11 11 ILE N N 38 121.700 125.239 -3.539 2 1 117 . 1 1 A 12 12 VAL H H 39 9.370 9.135 0.235 2 1 118 . 1 1 A 12 12 VAL HA H 39 4.690 4.521 0.169 2 1 126 . 1 1 A 12 12 VAL CA C 39 58.500 58.568 -0.068 2 1 127 . 1 1 A 12 12 VAL CB C 39 34.970 34.408 0.562 2 1 130 . 1 1 A 12 12 VAL N N 39 130.310 127.538 2.772 2 1 131 . 1 1 A 13 13 PRO HA H 40 4.470 4.893 -0.423 2 1 138 . 1 1 A 13 13 PRO C C 40 175.070 176.353 -1.283 2 1 139 . 1 1 A 13 13 PRO CA C 40 63.130 62.197 0.933 2 1 140 . 1 1 A 13 13 PRO CB C 40 33.580 32.122 1.458 2 1 143 . 1 1 A 14 14 VAL H H 41 7.970 8.886 -0.916 2 1 144 . 1 1 A 14 14 VAL HA H 41 4.170 4.084 0.086 2 1 152 . 1 1 A 14 14 VAL C C 41 175.360 176.173 -0.813 2 1 153 . 1 1 A 14 14 VAL CA C 41 63.600 63.616 -0.016 2 1 154 . 1 1 A 14 14 VAL CB C 41 34.050 32.634 1.416 2 1 157 . 1 1 A 14 14 VAL N N 41 119.000 118.728 0.272 2 1 158 . 1 1 A 15 15 SER H H 42 8.040 7.541 0.499 2 1 159 . 1 1 A 15 15 SER HA H 42 4.530 4.430 0.100 2 1 162 . 1 1 A 15 15 SER C C 42 176.240 175.009 1.231 2 1 163 . 1 1 A 15 15 SER CA C 42 57.620 57.250 0.370 2 1 164 . 1 1 A 15 15 SER CB C 42 64.250 64.615 -0.365 2 1 165 . 1 1 A 15 15 SER N N 42 113.900 115.574 -1.674 2 1 166 . 1 1 A 16 16 LYS H H 43 8.690 8.806 -0.116 2 1 167 . 1 1 A 16 16 LYS HA H 43 2.830 3.431 -0.601 2 1 176 . 1 1 A 16 16 LYS C C 43 177.790 178.318 -0.528 2 1 177 . 1 1 A 16 16 LYS CA C 43 58.100 59.079 -0.979 2 1 178 . 1 1 A 16 16 LYS CB C 43 31.840 32.010 -0.170 2 1 182 . 1 1 A 16 16 LYS N N 43 124.940 125.236 -0.296 2 1 183 . 1 1 A 17 17 ASP H H 44 8.590 7.845 0.745 2 1 184 . 1 1 A 17 17 ASP HA H 44 4.100 4.359 -0.259 2 1 187 . 1 1 A 17 17 ASP C C 44 176.670 176.963 -0.293 2 1 188 . 1 1 A 17 17 ASP CA C 44 55.580 56.381 -0.801 2 1 189 . 1 1 A 17 17 ASP CB C 44 39.300 40.773 -1.473 2 1 190 . 1 1 A 17 17 ASP N N 44 118.140 119.303 -1.163 2 1 191 . 1 1 A 18 18 TYR H H 45 7.870 7.820 0.050 2 1 192 . 1 1 A 18 18 TYR HA H 45 4.550 4.652 -0.102 2 1 199 . 1 1 A 18 18 TYR C C 45 174.860 176.632 -1.772 2 1 200 . 1 1 A 18 18 TYR CA C 45 58.510 57.905 0.605 2 1 201 . 1 1 A 18 18 TYR CB C 45 39.470 38.728 0.742 2 1 206 . 1 1 A 18 18 TYR N N 45 115.260 116.922 -1.662 2 1 207 . 1 1 A 19 19 PHE H H 46 7.430 7.863 -0.433 2 1 208 . 1 1 A 19 19 PHE HA H 46 4.360 4.444 -0.084 2 1 215 . 1 1 A 19 19 PHE C C 46 176.950 176.766 0.184 2 1 216 . 1 1 A 19 19 PHE CA C 46 59.340 60.827 -1.487 2 1 217 . 1 1 A 19 19 PHE CB C 46 37.870 38.038 -0.168 2 1 222 . 1 1 A 19 19 PHE N N 46 120.020 121.038 -1.018 2 1 223 . 1 1 A 20 20 SER H H 47 8.620 7.813 0.807 2 1 224 . 1 1 A 20 20 SER HA H 47 4.430 4.583 -0.153 2 1 227 . 1 1 A 20 20 SER C C 47 173.980 174.940 -0.960 2 1 228 . 1 1 A 20 20 SER CA C 47 58.660 58.582 0.078 2 1 229 . 1 1 A 20 20 SER CB C 47 62.850 63.870 -1.020 2 1 230 . 1 1 A 20 20 SER N N 47 111.500 111.933 -0.433 2 1 231 . 1 1 A 21 21 ILE H H 48 7.660 7.598 0.062 2 1 232 . 1 1 A 21 21 ILE HA H 48 4.110 4.201 -0.091 2 1 242 . 1 1 A 21 21 ILE CA C 48 59.780 60.693 -0.913 2 1 243 . 1 1 A 21 21 ILE CB C 48 38.330 37.974 0.356 2 1 247 . 1 1 A 21 21 ILE N N 48 119.380 125.290 -5.910 2 1 248 . 1 1 A 22 22 PRO HA H 49 4.500 4.538 -0.038 2 1 255 . 1 1 A 22 22 PRO C C 49 176.110 177.532 -1.422 2 1 256 . 1 1 A 22 22 PRO CA C 49 62.880 62.644 0.236 2 1 257 . 1 1 A 22 22 PRO CB C 49 32.570 33.237 -0.667 2 1 260 . 1 1 A 23 23 ASN H H 50 8.630 8.831 -0.201 2 1 261 . 1 1 A 23 23 ASN HA H 50 4.800 4.538 0.262 2 1 266 . 1 1 A 23 23 ASN C C 50 176.580 174.965 1.615 2 1 267 . 1 1 A 23 23 ASN CA C 50 53.610 56.118 -2.508 2 1 268 . 1 1 A 23 23 ASN CB C 50 38.490 38.837 -0.347 2 1 269 . 1 1 A 23 23 ASN N N 50 117.590 118.833 -1.243 2 1 271 . 1 1 A 24 24 ASP H H 51 8.580 7.836 0.744 2 1 272 . 1 1 A 24 24 ASP HA H 51 4.760 4.983 -0.223 2 1 275 . 1 1 A 24 24 ASP C C 51 175.090 174.034 1.056 2 1 276 . 1 1 A 24 24 ASP CA C 51 52.500 54.143 -1.643 2 1 277 . 1 1 A 24 24 ASP CB C 51 39.840 43.051 -3.211 2 1 278 . 1 1 A 24 24 ASP N N 51 120.490 117.374 3.116 2 1 279 . 1 1 A 25 25 LEU H H 52 8.400 9.052 -0.652 2 1 280 . 1 1 A 25 25 LEU HA H 52 4.390 5.047 -0.657 2 1 290 . 1 1 A 25 25 LEU C C 52 176.340 175.650 0.690 2 1 291 . 1 1 A 25 25 LEU CA C 52 55.460 53.655 1.805 2 1 292 . 1 1 A 25 25 LEU CB C 52 43.270 43.877 -0.607 2 1 296 . 1 1 A 25 25 LEU N N 52 119.530 126.961 -7.431 2 1 297 . 1 1 A 26 26 LEU H H 53 8.840 9.410 -0.570 2 1 298 . 1 1 A 26 26 LEU HA H 53 5.140 4.899 0.241 2 1 308 . 1 1 A 26 26 LEU C C 53 174.620 175.121 -0.501 2 1 309 . 1 1 A 26 26 LEU CA C 53 52.840 53.095 -0.255 2 1 310 . 1 1 A 26 26 LEU CB C 53 44.070 42.617 1.453 2 1 314 . 1 1 A 26 26 LEU N N 53 126.610 123.605 3.005 2 1 315 . 1 1 A 27 27 TRP H H 54 9.230 9.377 -0.147 2 1 316 . 1 1 A 27 27 TRP HA H 54 5.570 5.213 0.357 2 1 325 . 1 1 A 27 27 TRP C C 54 175.740 174.943 0.797 2 1 326 . 1 1 A 27 27 TRP CA C 54 54.510 55.470 -0.960 2 1 327 . 1 1 A 27 27 TRP CB C 54 31.710 32.818 -1.108 2 1 333 . 1 1 A 27 27 TRP N N 54 122.650 128.180 -5.530 2 1 335 . 1 1 A 28 28 SER H H 55 9.240 8.856 0.384 2 1 336 . 1 1 A 28 28 SER HA H 55 5.490 5.394 0.096 2 1 339 . 1 1 A 28 28 SER C C 55 173.440 173.311 0.129 2 1 340 . 1 1 A 28 28 SER CA C 55 56.990 57.269 -0.279 2 1 341 . 1 1 A 28 28 SER CB C 55 66.150 65.629 0.521 2 1 342 . 1 1 A 28 28 SER N N 55 121.970 123.251 -1.281 2 1 343 . 1 1 A 29 29 PHE H H 56 9.590 9.408 0.182 2 1 344 . 1 1 A 29 29 PHE HA H 56 5.150 4.854 0.296 2 1 352 . 1 1 A 29 29 PHE C C 56 175.810 175.522 0.288 2 1 353 . 1 1 A 29 29 PHE CA C 56 57.180 59.286 -2.106 2 1 354 . 1 1 A 29 29 PHE CB C 56 42.370 39.397 2.973 2 1 360 . 1 1 A 29 29 PHE N N 56 121.420 126.226 -4.806 2 1 361 . 1 1 A 30 30 ASN H H 57 9.400 9.247 0.153 2 1 362 . 1 1 A 30 30 ASN HA H 57 5.220 5.121 0.099 2 1 367 . 1 1 A 30 30 ASN C C 57 176.540 176.193 0.347 2 1 368 . 1 1 A 30 30 ASN CA C 57 52.320 52.195 0.125 2 1 369 . 1 1 A 30 30 ASN CB C 57 38.520 38.156 0.364 2 1 370 . 1 1 A 30 30 ASN N N 57 120.660 123.583 -2.923 2 1 372 . 1 1 A 31 31 THR H H 58 9.180 8.440 0.740 2 1 373 . 1 1 A 31 31 THR HA H 58 4.800 4.724 0.076 2 1 378 . 1 1 A 31 31 THR C C 58 176.950 175.772 1.178 2 1 379 . 1 1 A 31 31 THR CA C 58 63.430 63.178 0.252 2 1 380 . 1 1 A 31 31 THR CB C 58 68.110 69.326 -1.216 2 1 382 . 1 1 A 31 31 THR N N 58 114.630 117.267 -2.637 2 1 383 . 1 1 A 32 32 THR H H 59 8.450 7.949 0.501 2 1 384 . 1 1 A 32 32 THR HA H 59 4.130 4.313 -0.183 2 1 389 . 1 1 A 32 32 THR C C 59 175.130 175.795 -0.665 2 1 390 . 1 1 A 32 32 THR CA C 59 65.550 64.927 0.623 2 1 391 . 1 1 A 32 32 THR CB C 59 68.200 69.399 -1.199 2 1 393 . 1 1 A 32 32 THR N N 59 120.020 116.394 3.626 2 1 394 . 1 1 A 33 33 ASN H H 60 7.500 7.849 -0.349 2 1 395 . 1 1 A 33 33 ASN HA H 60 4.690 4.841 -0.151 2 1 400 . 1 1 A 33 33 ASN C C 60 174.230 174.832 -0.602 2 1 401 . 1 1 A 33 33 ASN CA C 60 51.650 52.100 -0.450 2 1 402 . 1 1 A 33 33 ASN CB C 60 37.870 38.601 -0.731 2 1 403 . 1 1 A 33 33 ASN N N 60 117.490 114.959 2.531 2 1 405 . 1 1 A 34 34 LYS H H 61 7.580 7.890 -0.310 2 1 406 . 1 1 A 34 34 LYS HA H 61 3.500 4.324 -0.824 2 1 415 . 1 1 A 34 34 LYS C C 61 172.880 174.865 -1.985 2 1 416 . 1 1 A 34 34 LYS CA C 61 57.160 57.088 0.072 2 1 417 . 1 1 A 34 34 LYS CB C 61 28.540 30.032 -1.492 2 1 421 . 1 1 A 34 34 LYS N N 61 118.030 116.322 1.708 2 1 422 . 1 1 A 35 35 SER H H 62 8.560 8.499 0.061 2 1 423 . 1 1 A 35 35 SER HA H 62 5.670 5.172 0.498 2 1 426 . 1 1 A 35 35 SER C C 62 173.510 172.837 0.673 2 1 427 . 1 1 A 35 35 SER CA C 62 56.110 56.824 -0.714 2 1 428 . 1 1 A 35 35 SER CB C 62 67.800 65.858 1.942 2 1 429 . 1 1 A 35 35 SER N N 62 109.720 112.937 -3.217 2 1 430 . 1 1 A 36 36 ILE H H 63 8.750 9.263 -0.513 2 1 431 . 1 1 A 36 36 ILE HA H 63 4.940 4.708 0.232 2 1 441 . 1 1 A 36 36 ILE C C 63 174.660 174.934 -0.274 2 1 442 . 1 1 A 36 36 ILE CA C 63 58.180 60.406 -2.226 2 1 443 . 1 1 A 36 36 ILE CB C 63 40.660 38.778 1.882 2 1 447 . 1 1 A 36 36 ILE N N 63 117.490 123.358 -5.868 2 1 448 . 1 1 A 37 37 ASN H H 64 8.400 8.967 -0.567 2 1 449 . 1 1 A 37 37 ASN HA H 64 5.650 5.733 -0.083 2 1 454 . 1 1 A 37 37 ASN C C 64 173.490 174.267 -0.777 2 1 455 . 1 1 A 37 37 ASN CA C 64 51.670 52.173 -0.503 2 1 456 . 1 1 A 37 37 ASN CB C 64 41.900 40.057 1.843 2 1 457 . 1 1 A 37 37 ASN N N 64 122.180 125.559 -3.379 2 1 459 . 1 1 A 38 38 VAL H H 65 8.900 8.935 -0.035 2 1 460 . 1 1 A 38 38 VAL HA H 65 5.540 4.764 0.776 2 1 468 . 1 1 A 38 38 VAL C C 65 174.590 175.065 -0.475 2 1 469 . 1 1 A 38 38 VAL CA C 65 60.060 61.107 -1.047 2 1 470 . 1 1 A 38 38 VAL CB C 65 34.870 32.917 1.953 2 1 473 . 1 1 A 38 38 VAL N N 65 122.060 125.454 -3.394 2 1 474 . 1 1 A 39 39 TYR H H 66 8.910 8.904 0.006 2 1 475 . 1 1 A 39 39 TYR HA H 66 5.490 5.837 -0.347 2 1 482 . 1 1 A 39 39 TYR C C 66 172.810 173.438 -0.628 2 1 483 . 1 1 A 39 39 TYR CA C 66 56.220 55.639 0.581 2 1 484 . 1 1 A 39 39 TYR CB C 66 40.620 42.265 -1.645 2 1 489 . 1 1 A 39 39 TYR N N 66 123.530 124.296 -0.766 2 1 490 . 1 1 A 40 40 SER H H 67 8.970 9.279 -0.309 2 1 491 . 1 1 A 40 40 SER HA H 67 4.780 4.906 -0.126 2 1 495 . 1 1 A 40 40 SER C C 67 174.360 174.816 -0.456 2 1 496 . 1 1 A 40 40 SER CA C 67 56.580 56.815 -0.235 2 1 497 . 1 1 A 40 40 SER CB C 67 66.290 65.781 0.509 2 1 498 . 1 1 A 40 40 SER N N 67 115.210 114.580 0.630 2 1 499 . 1 1 A 41 41 LYS H H 68 9.020 8.734 0.286 2 1 500 . 1 1 A 41 41 LYS HA H 68 4.210 3.996 0.214 2 1 509 . 1 1 A 41 41 LYS C C 68 177.730 177.132 0.598 2 1 510 . 1 1 A 41 41 LYS CA C 68 59.240 59.146 0.094 2 1 511 . 1 1 A 41 41 LYS CB C 68 31.660 31.863 -0.203 2 1 515 . 1 1 A 41 41 LYS N N 68 118.790 118.283 0.507 2 1 516 . 1 1 A 42 42 CYS H H 69 8.090 7.469 0.621 2 1 517 . 1 1 A 42 42 CYS HA H 69 4.750 4.717 0.033 2 1 520 . 1 1 A 42 42 CYS C C 69 173.260 173.823 -0.563 2 1 521 . 1 1 A 42 42 CYS CA C 69 52.780 56.843 -4.063 2 1 522 . 1 1 A 42 42 CYS CB C 69 39.470 44.547 -5.077 2 1 523 . 1 1 A 42 42 CYS N N 69 113.650 114.969 -1.319 2 1 524 . 1 1 A 43 43 ILE H H 70 7.550 7.717 -0.167 2 1 525 . 1 1 A 43 43 ILE HA H 70 5.210 4.895 0.315 2 1 535 . 1 1 A 43 43 ILE C C 70 171.870 174.821 -2.951 2 1 536 . 1 1 A 43 43 ILE CA C 70 59.800 61.338 -1.538 2 1 537 . 1 1 A 43 43 ILE CB C 70 42.550 39.925 2.625 2 1 541 . 1 1 A 43 43 ILE N N 70 118.580 121.678 -3.098 2 1 542 . 1 1 A 44 44 SER H H 71 8.190 8.879 -0.689 2 1 543 . 1 1 A 44 44 SER HA H 71 5.190 5.303 -0.113 2 1 546 . 1 1 A 44 44 SER C C 71 173.790 173.355 0.435 2 1 547 . 1 1 A 44 44 SER CA C 71 56.980 57.863 -0.883 2 1 548 . 1 1 A 44 44 SER CB C 71 64.910 65.313 -0.403 2 1 549 . 1 1 A 44 44 SER N N 71 117.640 122.901 -5.261 2 1 550 . 1 1 A 45 45 GLY H H 72 9.720 9.285 0.435 2 1 551 . 1 1 A 45 45 GLY HA2 H 72 5.280 4.378 0.902 2 1 552 . 1 1 A 45 45 GLY HA3 H 72 3.460 4.393 -0.933 2 1 553 . 1 1 A 45 45 GLY C C 72 171.300 172.182 -0.882 2 1 554 . 1 1 A 45 45 GLY CA C 72 45.230 44.598 0.632 2 1 555 . 1 1 A 45 45 GLY N N 72 114.160 113.637 0.523 2 1 556 . 1 1 A 46 46 LYS H H 73 8.340 8.561 -0.221 2 1 557 . 1 1 A 46 46 LYS HA H 73 5.530 5.414 0.116 2 1 566 . 1 1 A 46 46 LYS C C 73 174.510 174.889 -0.379 2 1 567 . 1 1 A 46 46 LYS CA C 73 54.930 54.907 0.023 2 1 568 . 1 1 A 46 46 LYS CB C 73 36.420 35.177 1.243 2 1 572 . 1 1 A 46 46 LYS N N 73 123.520 121.769 1.751 2 1 573 . 1 1 A 47 47 ALA H H 74 8.440 8.328 0.112 2 1 574 . 1 1 A 47 47 ALA HA H 74 4.400 5.052 -0.652 2 1 578 . 1 1 A 47 47 ALA C C 74 175.850 175.383 0.467 2 1 579 . 1 1 A 47 47 ALA CA C 74 49.860 50.931 -1.071 2 1 580 . 1 1 A 47 47 ALA CB C 74 20.750 22.576 -1.826 2 1 581 . 1 1 A 47 47 ALA N N 74 125.710 124.254 1.456 2 1 582 . 1 1 A 48 48 VAL H H 75 7.840 8.107 -0.267 2 1 583 . 1 1 A 48 48 VAL HA H 75 4.640 4.425 0.215 2 1 591 . 1 1 A 48 48 VAL C C 75 176.660 174.894 1.766 2 1 592 . 1 1 A 48 48 VAL CA C 75 61.160 61.019 0.141 2 1 593 . 1 1 A 48 48 VAL CB C 75 32.180 33.555 -1.375 2 1 596 . 1 1 A 48 48 VAL N N 75 120.660 119.472 1.188 2 1 597 . 1 1 A 49 49 TYR H H 76 8.340 8.335 0.005 2 1 598 . 1 1 A 49 49 TYR HA H 76 5.230 5.670 -0.440 2 1 605 . 1 1 A 49 49 TYR C C 76 173.480 174.285 -0.805 2 1 606 . 1 1 A 49 49 TYR CA C 76 54.940 55.207 -0.267 2 1 607 . 1 1 A 49 49 TYR CB C 76 42.030 41.356 0.674 2 1 612 . 1 1 A 49 49 TYR N N 76 126.510 125.084 1.426 2 1 613 . 1 1 A 50 50 SER H H 77 8.360 8.407 -0.047 2 1 614 . 1 1 A 50 50 SER HA H 77 4.560 5.218 -0.658 2 1 617 . 1 1 A 50 50 SER C C 77 171.180 172.790 -1.610 2 1 618 . 1 1 A 50 50 SER CA C 77 56.890 57.062 -0.172 2 1 619 . 1 1 A 50 50 SER CB C 77 65.650 66.469 -0.819 2 1 620 . 1 1 A 50 50 SER N N 77 111.300 115.702 -4.402 2 1 621 . 1 1 A 51 51 PHE H H 78 8.660 8.808 -0.148 2 1 622 . 1 1 A 51 51 PHE HA H 78 5.860 5.734 0.126 2 1 630 . 1 1 A 51 51 PHE C C 78 176.800 174.478 2.322 2 1 631 . 1 1 A 51 51 PHE CA C 78 56.090 56.323 -0.233 2 1 632 . 1 1 A 51 51 PHE CB C 78 42.280 42.692 -0.412 2 1 638 . 1 1 A 51 51 PHE N N 78 116.710 119.967 -3.257 2 1 639 . 1 1 A 52 52 ASN H H 79 9.190 9.146 0.044 2 1 640 . 1 1 A 52 52 ASN HA H 79 4.900 5.176 -0.276 2 1 645 . 1 1 A 52 52 ASN C C 79 174.870 174.525 0.345 2 1 646 . 1 1 A 52 52 ASN CA C 79 53.300 52.632 0.668 2 1 647 . 1 1 A 52 52 ASN CB C 79 41.350 40.840 0.510 2 1 648 . 1 1 A 52 52 ASN N N 79 119.620 120.795 -1.175 2 1 650 . 1 1 A 53 53 ALA H H 80 9.650 9.229 0.421 2 1 651 . 1 1 A 53 53 ALA HA H 80 4.110 4.086 0.024 2 1 655 . 1 1 A 53 53 ALA C C 80 176.800 177.192 -0.392 2 1 656 . 1 1 A 53 53 ALA CA C 80 52.860 53.492 -0.632 2 1 657 . 1 1 A 53 53 ALA CB C 80 16.760 17.928 -1.168 2 1 658 . 1 1 A 53 53 ALA N N 80 131.210 129.831 1.379 2 1 659 . 1 1 A 54 54 GLY H H 81 8.850 8.576 0.274 2 1 660 . 1 1 A 54 54 GLY HA2 H 81 4.320 3.916 0.404 2 1 661 . 1 1 A 54 54 GLY HA3 H 81 4.220 3.935 0.285 2 1 662 . 1 1 A 54 54 GLY C C 81 173.950 174.056 -0.106 2 1 663 . 1 1 A 54 54 GLY CA C 81 45.320 45.414 -0.094 2 1 664 . 1 1 A 54 54 GLY N N 81 104.570 102.841 1.729 2 1 665 . 1 1 A 55 55 LYS H H 82 8.030 7.875 0.155 2 1 666 . 1 1 A 55 55 LYS HA H 82 4.910 4.469 0.441 2 1 675 . 1 1 A 55 55 LYS C C 82 174.120 175.758 -1.638 2 1 676 . 1 1 A 55 55 LYS CA C 82 54.350 56.067 -1.717 2 1 677 . 1 1 A 55 55 LYS CB C 82 34.010 32.694 1.316 2 1 681 . 1 1 A 55 55 LYS N N 82 120.230 120.533 -0.303 2 1 682 . 1 1 A 56 56 PHE H H 83 9.390 9.382 0.008 2 1 683 . 1 1 A 56 56 PHE HA H 83 4.250 4.645 -0.395 2 1 691 . 1 1 A 56 56 PHE C C 83 173.870 174.221 -0.351 2 1 692 . 1 1 A 56 56 PHE CA C 83 56.630 56.883 -0.253 2 1 693 . 1 1 A 56 56 PHE CB C 83 40.940 40.661 0.279 2 1 699 . 1 1 A 56 56 PHE N N 83 125.150 125.712 -0.562 2 1 700 . 1 1 A 57 57 MET H H 84 8.270 8.725 -0.455 2 1 701 . 1 1 A 57 57 MET HA H 84 5.140 6.018 -0.878 2 1 709 . 1 1 A 57 57 MET C C 84 174.090 174.983 -0.893 2 1 710 . 1 1 A 57 57 MET CA C 84 53.600 53.954 -0.354 2 1 711 . 1 1 A 57 57 MET CB C 84 36.190 37.147 -0.957 2 1 714 . 1 1 A 57 57 MET N N 84 124.270 125.004 -0.734 2 1 715 . 1 1 A 58 58 GLY H H 85 7.420 8.278 -0.858 2 1 716 . 1 1 A 58 58 GLY HA2 H 85 3.900 3.813 0.087 2 1 717 . 1 1 A 58 58 GLY HA3 H 85 2.790 3.932 -1.142 2 1 718 . 1 1 A 58 58 GLY C C 85 169.900 171.873 -1.973 2 1 719 . 1 1 A 58 58 GLY CA C 85 45.620 45.158 0.462 2 1 720 . 1 1 A 58 58 GLY N N 85 103.440 107.902 -4.462 2 1 721 . 1 1 A 59 59 ASN H H 86 8.410 8.580 -0.170 2 1 722 . 1 1 A 59 59 ASN HA H 86 4.890 4.972 -0.082 2 1 727 . 1 1 A 59 59 ASN C C 86 174.650 174.422 0.228 2 1 728 . 1 1 A 59 59 ASN CA C 86 51.110 52.693 -1.583 2 1 729 . 1 1 A 59 59 ASN CB C 86 38.140 39.500 -1.360 2 1 730 . 1 1 A 59 59 ASN N N 86 122.270 122.140 0.130 2 1 732 . 1 1 A 60 60 PHE H H 87 8.870 8.973 -0.103 2 1 733 . 1 1 A 60 60 PHE HA H 87 4.120 5.090 -0.970 2 1 741 . 1 1 A 60 60 PHE C C 87 175.620 175.018 0.602 2 1 742 . 1 1 A 60 60 PHE CA C 87 58.850 56.786 2.064 2 1 743 . 1 1 A 60 60 PHE CB C 87 39.910 40.898 -0.988 2 1 749 . 1 1 A 60 60 PHE N N 87 123.420 126.013 -2.593 2 1 750 . 1 1 A 61 61 ASN H H 88 8.610 9.408 -0.798 2 1 751 . 1 1 A 61 61 ASN HA H 88 4.900 5.180 -0.280 2 1 756 . 1 1 A 61 61 ASN C C 88 175.090 173.940 1.150 2 1 757 . 1 1 A 61 61 ASN CA C 88 52.690 52.062 0.628 2 1 758 . 1 1 A 61 61 ASN CB C 88 39.830 39.451 0.379 2 1 759 . 1 1 A 61 61 ASN N N 88 121.520 120.148 1.372 2 1 761 . 1 1 A 62 62 VAL H H 89 8.890 8.516 0.374 2 1 762 . 1 1 A 62 62 VAL HA H 89 4.820 4.648 0.172 2 1 770 . 1 1 A 62 62 VAL C C 89 174.650 174.922 -0.272 2 1 771 . 1 1 A 62 62 VAL CA C 89 60.870 61.636 -0.766 2 1 772 . 1 1 A 62 62 VAL CB C 89 34.690 33.429 1.261 2 1 775 . 1 1 A 62 62 VAL N N 89 123.750 124.182 -0.432 2 1 776 . 1 1 A 63 63 LYS H H 90 8.750 9.274 -0.524 2 1 777 . 1 1 A 63 63 LYS HA H 90 4.670 4.964 -0.294 2 1 786 . 1 1 A 63 63 LYS C C 90 174.990 175.416 -0.426 2 1 787 . 1 1 A 63 63 LYS CA C 90 55.010 55.172 -0.162 2 1 788 . 1 1 A 63 63 LYS CB C 90 34.030 34.187 -0.157 2 1 792 . 1 1 A 63 63 LYS N N 90 126.210 126.987 -0.777 2 1 793 . 1 1 A 64 64 GLU H H 91 9.170 8.953 0.217 2 1 794 . 1 1 A 64 64 GLU HA H 91 5.020 5.169 -0.149 2 1 799 . 1 1 A 64 64 GLU C C 91 175.680 174.986 0.694 2 1 800 . 1 1 A 64 64 GLU CA C 91 54.400 55.016 -0.616 2 1 801 . 1 1 A 64 64 GLU CB C 91 32.690 33.635 -0.945 2 1 803 . 1 1 A 64 64 GLU N N 91 128.500 124.977 3.523 2 1 804 . 1 1 A 65 65 VAL H H 92 8.330 9.109 -0.779 2 1 805 . 1 1 A 65 65 VAL HA H 92 3.880 4.963 -1.083 2 1 813 . 1 1 A 65 65 VAL C C 92 175.940 174.330 1.610 2 1 814 . 1 1 A 65 65 VAL CA C 92 62.290 60.132 2.158 2 1 815 . 1 1 A 65 65 VAL CB C 92 32.080 34.326 -2.246 2 1 818 . 1 1 A 65 65 VAL N N 92 126.870 119.397 7.473 2 1 819 . 1 1 A 66 66 ASP H H 93 8.810 8.811 -0.001 2 1 820 . 1 1 A 66 66 ASP HA H 93 4.440 5.301 -0.861 2 1 823 . 1 1 A 66 66 ASP C C 93 177.330 176.835 0.495 2 1 824 . 1 1 A 66 66 ASP CA C 93 55.950 52.783 3.167 2 1 825 . 1 1 A 66 66 ASP CB C 93 40.760 43.440 -2.680 2 1 826 . 1 1 A 66 66 ASP N N 93 130.720 122.923 7.797 2 1 827 . 1 1 A 67 67 GLY H H 94 8.910 8.698 0.212 2 1 828 . 1 1 A 67 67 GLY HA2 H 94 4.020 3.921 0.099 2 1 829 . 1 1 A 67 67 GLY HA3 H 94 3.820 3.930 -0.110 2 1 830 . 1 1 A 67 67 GLY C C 94 173.530 174.757 -1.227 2 1 831 . 1 1 A 67 67 GLY CA C 94 45.830 45.152 0.678 2 1 832 . 1 1 A 67 67 GLY N N 94 112.760 111.727 1.033 2 1 833 . 1 1 A 68 68 CYS H H 95 7.540 8.010 -0.470 2 1 834 . 1 1 A 68 68 CYS HA H 95 4.260 4.166 0.094 2 1 837 . 1 1 A 68 68 CYS C C 95 175.640 175.081 0.559 2 1 838 . 1 1 A 68 68 CYS CA C 95 58.280 59.090 -0.810 2 1 839 . 1 1 A 68 68 CYS CB C 95 38.240 42.012 -3.772 2 1 840 . 1 1 A 68 68 CYS N N 95 119.700 119.853 -0.153 2 1 841 . 1 1 A 69 69 PHE H H 96 8.850 7.741 1.109 2 1 842 . 1 1 A 69 69 PHE HA H 96 5.010 4.644 0.366 2 1 850 . 1 1 A 69 69 PHE C C 96 177.330 175.342 1.988 2 1 851 . 1 1 A 69 69 PHE CA C 96 56.460 57.562 -1.102 2 1 852 . 1 1 A 69 69 PHE CB C 96 40.020 38.879 1.141 2 1 858 . 1 1 A 69 69 PHE N N 96 117.790 117.322 0.468 2 1 859 . 1 1 A 70 70 MET H H 97 8.710 8.161 0.549 2 1 860 . 1 1 A 70 70 MET HA H 97 4.700 4.169 0.531 2 1 868 . 1 1 A 70 70 MET C C 97 177.650 176.022 1.628 2 1 869 . 1 1 A 70 70 MET CA C 97 54.570 57.589 -3.019 2 1 870 . 1 1 A 70 70 MET CB C 97 33.990 31.402 2.588 2 1 873 . 1 1 A 70 70 MET N N 97 119.890 116.154 3.736 2 1 874 . 1 1 A 71 71 ASP H H 98 8.980 8.693 0.287 2 1 875 . 1 1 A 71 71 ASP HA H 98 4.280 4.826 -0.546 2 1 878 . 1 1 A 71 71 ASP C C 98 177.920 177.208 0.712 2 1 879 . 1 1 A 71 71 ASP CA C 98 58.380 55.432 2.948 2 1 880 . 1 1 A 71 71 ASP CB C 98 40.100 42.924 -2.824 2 1 881 . 1 1 A 71 71 ASP N N 98 123.440 124.805 -1.365 2 1 882 . 1 1 A 72 72 ALA H H 99 8.950 8.090 0.860 2 1 883 . 1 1 A 72 72 ALA HA H 99 4.030 4.112 -0.082 2 1 887 . 1 1 A 72 72 ALA C C 99 180.740 179.419 1.321 2 1 888 . 1 1 A 72 72 ALA CA C 99 55.020 54.359 0.661 2 1 889 . 1 1 A 72 72 ALA CB C 99 18.280 18.488 -0.208 2 1 890 . 1 1 A 72 72 ALA N N 99 119.200 122.324 -3.124 2 1 891 . 1 1 A 73 73 GLN H H 100 7.120 7.757 -0.637 2 1 892 . 1 1 A 73 73 GLN HA H 100 4.020 4.611 -0.591 2 1 899 . 1 1 A 73 73 GLN C C 100 176.880 178.284 -1.404 2 1 900 . 1 1 A 73 73 GLN CA C 100 57.720 58.694 -0.974 2 1 901 . 1 1 A 73 73 GLN CB C 100 28.940 28.321 0.619 2 1 903 . 1 1 A 73 73 GLN N N 100 115.380 117.918 -2.538 2 1 905 . 1 1 A 74 74 LYS H H 101 7.760 7.888 -0.128 2 1 906 . 1 1 A 74 74 LYS HA H 101 3.510 4.016 -0.506 2 1 915 . 1 1 A 74 74 LYS C C 101 177.610 178.550 -0.940 2 1 916 . 1 1 A 74 74 LYS CA C 101 58.500 59.127 -0.627 2 1 917 . 1 1 A 74 74 LYS CB C 101 31.790 32.362 -0.572 2 1 921 . 1 1 A 74 74 LYS N N 101 119.560 121.225 -1.665 2 1 922 . 1 1 A 75 75 ILE H H 102 7.760 8.145 -0.385 2 1 923 . 1 1 A 75 75 ILE HA H 102 3.750 3.607 0.143 2 1 933 . 1 1 A 75 75 ILE C C 102 178.530 177.655 0.875 2 1 934 . 1 1 A 75 75 ILE CA C 102 64.200 65.481 -1.281 2 1 935 . 1 1 A 75 75 ILE CB C 102 38.170 37.628 0.542 2 1 939 . 1 1 A 75 75 ILE N N 102 117.490 119.890 -2.400 2 1 940 . 1 1 A 76 76 ALA H H 103 7.090 8.617 -1.527 2 1 941 . 1 1 A 76 76 ALA HA H 103 3.990 3.783 0.207 2 1 945 . 1 1 A 76 76 ALA C C 103 178.650 180.268 -1.618 2 1 946 . 1 1 A 76 76 ALA CA C 103 55.020 55.195 -0.175 2 1 947 . 1 1 A 76 76 ALA CB C 103 18.570 18.321 0.249 2 1 948 . 1 1 A 76 76 ALA N N 103 121.190 121.870 -0.680 2 1 949 . 1 1 A 77 77 ILE H H 104 8.150 7.646 0.504 2 1 950 . 1 1 A 77 77 ILE HA H 104 3.420 3.463 -0.043 2 1 960 . 1 1 A 77 77 ILE C C 104 176.670 177.204 -0.534 2 1 961 . 1 1 A 77 77 ILE CA C 104 63.130 64.581 -1.451 2 1 962 . 1 1 A 77 77 ILE CB C 104 36.680 36.631 0.049 2 1 966 . 1 1 A 77 77 ILE N N 104 119.240 118.427 0.813 2 1 967 . 1 1 A 78 78 ASP H H 105 8.290 8.610 -0.320 2 1 968 . 1 1 A 78 78 ASP HA H 105 4.440 4.217 0.223 2 1 971 . 1 1 A 78 78 ASP C C 105 180.350 178.484 1.866 2 1 972 . 1 1 A 78 78 ASP CA C 105 57.440 57.865 -0.425 2 1 973 . 1 1 A 78 78 ASP CB C 105 39.430 41.816 -2.386 2 1 974 . 1 1 A 78 78 ASP N N 105 121.080 121.715 -0.635 2 1 975 . 1 1 A 79 79 LYS H H 106 7.960 8.053 -0.093 2 1 976 . 1 1 A 79 79 LYS HA H 106 4.010 3.990 0.020 2 1 985 . 1 1 A 79 79 LYS C C 106 178.580 179.013 -0.433 2 1 986 . 1 1 A 79 79 LYS CA C 106 59.780 59.244 0.536 2 1 987 . 1 1 A 79 79 LYS CB C 106 31.800 32.192 -0.392 2 1 991 . 1 1 A 79 79 LYS N N 106 121.340 118.691 2.649 2 1 992 . 1 1 A 80 80 LEU H H 107 8.230 8.080 0.150 2 1 993 . 1 1 A 80 80 LEU HA H 107 3.990 4.196 -0.206 2 1 1003 . 1 1 A 80 80 LEU C C 107 178.230 178.378 -0.148 2 1 1004 . 1 1 A 80 80 LEU CA C 107 58.570 58.159 0.411 2 1 1005 . 1 1 A 80 80 LEU CB C 107 41.110 41.423 -0.313 2 1 1009 . 1 1 A 80 80 LEU N N 107 123.530 121.135 2.395 2 1 1010 . 1 1 A 81 81 PHE H H 108 8.050 8.509 -0.459 2 1 1011 . 1 1 A 81 81 PHE HA H 108 4.350 3.935 0.415 2 1 1019 . 1 1 A 81 81 PHE C C 108 179.570 178.460 1.110 2 1 1020 . 1 1 A 81 81 PHE CA C 108 61.070 60.589 0.481 2 1 1021 . 1 1 A 81 81 PHE CB C 108 37.010 38.016 -1.006 2 1 1027 . 1 1 A 81 81 PHE N N 108 116.720 117.888 -1.168 2 1 1028 . 1 1 A 82 82 SER H H 109 8.410 8.393 0.017 2 1 1029 . 1 1 A 82 82 SER HA H 109 4.360 4.303 0.057 2 1 1032 . 1 1 A 82 82 SER C C 109 176.200 177.534 -1.334 2 1 1033 . 1 1 A 82 82 SER CA C 109 61.830 61.415 0.415 2 1 1034 . 1 1 A 82 82 SER CB C 109 62.570 62.891 -0.321 2 1 1035 . 1 1 A 82 82 SER N N 109 118.120 115.955 2.165 2 1 1036 . 1 1 A 83 83 MET H H 110 8.420 8.201 0.219 2 1 1037 . 1 1 A 83 83 MET HA H 110 4.210 4.152 0.058 2 1 1043 . 1 1 A 83 83 MET C C 110 178.260 178.787 -0.527 2 1 1044 . 1 1 A 83 83 MET CA C 110 59.170 58.993 0.177 2 1 1045 . 1 1 A 83 83 MET CB C 110 31.240 32.724 -1.484 2 1 1047 . 1 1 A 83 83 MET N N 110 123.040 120.167 2.873 2 1 1048 . 1 1 A 84 84 LEU H H 111 8.080 8.150 -0.070 2 1 1049 . 1 1 A 84 84 LEU HA H 111 4.140 4.030 0.110 2 1 1059 . 1 1 A 84 84 LEU C C 111 178.030 178.996 -0.966 2 1 1060 . 1 1 A 84 84 LEU CA C 111 57.390 58.258 -0.868 2 1 1061 . 1 1 A 84 84 LEU CB C 111 41.430 41.768 -0.338 2 1 1065 . 1 1 A 84 84 LEU N N 111 117.910 119.842 -1.932 2 1 1066 . 1 1 A 85 85 LYS H H 112 7.640 7.696 -0.056 2 1 1067 . 1 1 A 85 85 LYS HA H 112 4.110 4.160 -0.050 2 1 1076 . 1 1 A 85 85 LYS C C 112 177.650 177.837 -0.187 2 1 1077 . 1 1 A 85 85 LYS CA C 112 58.750 59.176 -0.426 2 1 1078 . 1 1 A 85 85 LYS CB C 112 32.240 32.229 0.011 2 1 1082 . 1 1 A 85 85 LYS N N 112 119.340 117.575 1.765 2 1 1083 . 1 1 A 86 86 ASP H H 113 7.350 7.689 -0.339 2 1 1084 . 1 1 A 86 86 ASP HA H 113 4.570 4.710 -0.140 2 1 1087 . 1 1 A 86 86 ASP C C 113 176.950 176.448 0.502 2 1 1088 . 1 1 A 86 86 ASP CA C 113 55.770 54.177 1.593 2 1 1089 . 1 1 A 86 86 ASP CB C 113 42.420 41.441 0.979 2 1 1090 . 1 1 A 86 86 ASP N N 113 117.210 117.467 -0.257 2 1 1091 . 1 1 A 87 87 GLY H H 114 7.760 7.874 -0.114 2 1 1092 . 1 1 A 87 87 GLY HA2 H 114 4.380 4.052 0.328 2 1 1093 . 1 1 A 87 87 GLY HA3 H 114 4.380 4.072 0.308 2 1 1094 . 1 1 A 87 87 GLY C C 114 173.000 174.074 -1.074 2 1 1095 . 1 1 A 87 87 GLY CA C 114 44.490 45.481 -0.991 2 1 1096 . 1 1 A 87 87 GLY N N 114 107.740 106.953 0.787 2 1 1097 . 1 1 A 88 88 VAL H H 115 9.350 8.760 0.590 2 1 1098 . 1 1 A 88 88 VAL HA H 115 4.960 4.701 0.259 2 1 1106 . 1 1 A 88 88 VAL C C 115 173.100 174.528 -1.428 2 1 1107 . 1 1 A 88 88 VAL CA C 115 58.650 62.325 -3.675 2 1 1108 . 1 1 A 88 88 VAL CB C 115 35.910 33.285 2.625 2 1 1111 . 1 1 A 88 88 VAL N N 115 118.050 123.925 -5.875 2 1 1112 . 1 1 A 89 89 VAL H H 116 9.000 9.629 -0.629 2 1 1113 . 1 1 A 89 89 VAL HA H 116 4.550 4.893 -0.343 2 1 1121 . 1 1 A 89 89 VAL C C 116 174.640 174.801 -0.161 2 1 1122 . 1 1 A 89 89 VAL CA C 116 61.360 59.994 1.366 2 1 1123 . 1 1 A 89 89 VAL CB C 116 33.760 34.125 -0.365 2 1 1126 . 1 1 A 89 89 VAL N N 116 121.030 127.923 -6.893 2 1 1127 . 1 1 A 90 90 LEU H H 117 8.950 8.717 0.233 2 1 1128 . 1 1 A 90 90 LEU HA H 117 5.160 5.426 -0.266 2 1 1138 . 1 1 A 90 90 LEU C C 117 176.150 176.672 -0.522 2 1 1139 . 1 1 A 90 90 LEU CA C 117 52.230 54.592 -2.362 2 1 1140 . 1 1 A 90 90 LEU CB C 117 44.280 41.618 2.662 2 1 1144 . 1 1 A 90 90 LEU N N 117 125.420 129.481 -4.061 2 1 1145 . 1 1 A 91 91 LYS H H 118 8.280 8.489 -0.209 2 1 1146 . 1 1 A 91 91 LYS HA H 118 4.900 4.557 0.343 2 1 1155 . 1 1 A 91 91 LYS C C 118 175.300 175.190 0.110 2 1 1156 . 1 1 A 91 91 LYS CA C 118 53.810 55.476 -1.666 2 1 1157 . 1 1 A 91 91 LYS CB C 118 36.840 36.673 0.167 2 1 1161 . 1 1 A 91 91 LYS N N 118 119.720 121.831 -2.111 2 1 1162 . 1 1 A 92 92 GLY H H 119 9.030 8.291 0.739 2 1 1163 . 1 1 A 92 92 GLY HA2 H 119 3.750 4.231 -0.481 2 1 1164 . 1 1 A 92 92 GLY HA3 H 119 3.750 4.237 -0.487 2 1 1165 . 1 1 A 92 92 GLY CA C 119 43.980 45.551 -1.571 2 1 1166 . 1 1 A 92 92 GLY N N 119 109.730 108.768 0.962 2 1 1167 . 1 1 A 94 94 LYS HA H 121 4.760 4.453 0.307 2 1 1168 . 1 1 A 95 95 ILE H H 122 7.700 8.349 -0.649 2 1 1169 . 1 1 A 95 95 ILE HA H 122 4.160 4.785 -0.625 2 1 1179 . 1 1 A 95 95 ILE CA C 122 61.270 59.274 1.996 2 1 1180 . 1 1 A 95 95 ILE CB C 122 37.590 41.216 -3.626 2 1 1184 . 1 1 A 95 95 ILE N N 122 117.400 123.131 -5.731 2 1 1185 . 1 1 A 98 98 THR HA H 125 5.810 4.769 1.041 2 1 1190 . 1 1 A 98 98 THR CA C 125 61.740 61.179 0.561 2 1 1191 . 1 1 A 98 98 THR CB C 125 73.450 72.427 1.023 2 1 1193 . 1 1 A 99 99 ILE HA H 126 4.630 4.662 -0.032 2 1 1203 . 1 1 A 99 99 ILE C C 126 174.430 175.076 -0.646 2 1 1204 . 1 1 A 99 99 ILE CA C 126 59.980 59.931 0.049 2 1 1205 . 1 1 A 99 99 ILE CB C 126 40.970 39.250 1.720 2 1 1209 . 1 1 A 100 100 LEU H H 127 9.530 8.797 0.733 2 1 1210 . 1 1 A 100 100 LEU HA H 127 4.420 5.066 -0.646 2 1 1220 . 1 1 A 100 100 LEU C C 127 174.930 175.432 -0.502 2 1 1221 . 1 1 A 100 100 LEU CA C 127 54.030 53.538 0.492 2 1 1222 . 1 1 A 100 100 LEU CB C 127 42.520 45.276 -2.756 2 1 1226 . 1 1 A 100 100 LEU N N 127 127.300 126.140 1.160 2 1 1227 . 1 1 A 101 101 ILE H H 128 8.260 9.265 -1.005 2 1 1228 . 1 1 A 101 101 ILE HA H 128 4.320 4.671 -0.351 2 1 1238 . 1 1 A 101 101 ILE C C 128 173.880 174.551 -0.671 2 1 1239 . 1 1 A 101 101 ILE CA C 128 60.900 60.299 0.601 2 1 1240 . 1 1 A 101 101 ILE CB C 128 37.410 38.575 -1.165 2 1 1244 . 1 1 A 101 101 ILE N N 128 119.990 123.513 -3.523 2 1 1245 . 1 1 A 102 102 GLU H H 129 9.580 8.841 0.739 2 1 1246 . 1 1 A 102 102 GLU HA H 129 5.120 5.369 -0.249 2 1 1251 . 1 1 A 102 102 GLU C C 129 174.240 174.728 -0.488 2 1 1252 . 1 1 A 102 102 GLU CA C 129 54.050 54.844 -0.794 2 1 1253 . 1 1 A 102 102 GLU CB C 129 33.630 33.613 0.017 2 1 1255 . 1 1 A 102 102 GLU N N 129 129.780 129.874 -0.094 2 1 1256 . 1 1 A 103 103 LYS H H 130 8.680 8.485 0.195 2 1 1257 . 1 1 A 103 103 LYS HA H 130 4.720 4.826 -0.106 2 1 1264 . 1 1 A 103 103 LYS C C 130 175.280 174.775 0.505 2 1 1265 . 1 1 A 103 103 LYS CA C 130 55.190 55.314 -0.124 2 1 1266 . 1 1 A 103 103 LYS CB C 130 36.750 35.564 1.186 2 1 1270 . 1 1 A 103 103 LYS N N 130 123.420 123.049 0.371 2 1 1271 . 1 1 A 104 104 ASP H H 131 9.530 9.339 0.191 2 1 1272 . 1 1 A 104 104 ASP HA H 131 4.290 4.363 -0.073 2 1 1275 . 1 1 A 104 104 ASP C C 131 176.090 176.307 -0.217 2 1 1276 . 1 1 A 104 104 ASP CA C 131 55.370 55.396 -0.026 2 1 1277 . 1 1 A 104 104 ASP CB C 131 39.260 39.221 0.039 2 1 1278 . 1 1 A 104 104 ASP N N 131 127.440 120.305 7.135 2 1 1279 . 1 1 A 105 105 GLY H H 132 8.970 8.553 0.417 2 1 1280 . 1 1 A 105 105 GLY HA2 H 132 4.090 3.859 0.231 2 1 1281 . 1 1 A 105 105 GLY HA3 H 132 3.550 3.860 -0.310 2 1 1282 . 1 1 A 105 105 GLY C C 132 173.130 173.522 -0.392 2 1 1283 . 1 1 A 105 105 GLY CA C 132 45.230 45.522 -0.292 2 1 1284 . 1 1 A 105 105 GLY N N 132 103.820 104.977 -1.157 2 1 1285 . 1 1 A 106 106 GLU H H 133 7.720 7.676 0.044 2 1 1286 . 1 1 A 106 106 GLU HA H 133 4.720 4.830 -0.110 2 1 1291 . 1 1 A 106 106 GLU C C 133 174.940 174.484 0.456 2 1 1292 . 1 1 A 106 106 GLU CA C 133 53.770 54.575 -0.805 2 1 1293 . 1 1 A 106 106 GLU CB C 133 32.820 32.529 0.291 2 1 1295 . 1 1 A 106 106 GLU N N 133 120.200 115.725 4.475 2 1 1296 . 1 1 A 107 107 VAL H H 134 8.900 8.743 0.157 2 1 1297 . 1 1 A 107 107 VAL HA H 134 3.760 4.296 -0.536 2 1 1305 . 1 1 A 107 107 VAL C C 134 175.340 176.011 -0.671 2 1 1306 . 1 1 A 107 107 VAL CA C 134 64.230 61.564 2.666 2 1 1307 . 1 1 A 107 107 VAL CB C 134 31.160 32.827 -1.667 2 1 1310 . 1 1 A 107 107 VAL N N 134 125.990 122.729 3.261 2 1 1311 . 1 1 A 108 108 LYS H H 135 9.250 8.544 0.706 2 1 1312 . 1 1 A 108 108 LYS HA H 135 4.810 4.512 0.298 2 1 1321 . 1 1 A 108 108 LYS C C 135 174.390 175.629 -1.239 2 1 1322 . 1 1 A 108 108 LYS CA C 135 54.740 55.721 -0.981 2 1 1323 . 1 1 A 108 108 LYS CB C 135 34.690 33.635 1.055 2 1 1327 . 1 1 A 108 108 LYS N N 135 126.060 124.146 1.914 2 1 1328 . 1 1 A 109 109 LEU H H 136 7.690 7.171 0.519 2 1 1329 . 1 1 A 109 109 LEU HA H 136 4.820 5.281 -0.461 2 1 1339 . 1 1 A 109 109 LEU C C 136 172.450 174.396 -1.946 2 1 1340 . 1 1 A 109 109 LEU CA C 136 53.250 53.642 -0.392 2 1 1341 . 1 1 A 109 109 LEU CB C 136 47.800 45.551 2.249 2 1 1345 . 1 1 A 109 109 LEU N N 136 116.670 120.368 -3.698 2 1 1346 . 1 1 A 110 110 LYS H H 137 9.170 8.772 0.398 2 1 1347 . 1 1 A 110 110 LYS HA H 137 5.050 4.917 0.133 2 1 1356 . 1 1 A 110 110 LYS C C 137 172.760 174.836 -2.076 2 1 1357 . 1 1 A 110 110 LYS CA C 137 54.090 54.665 -0.575 2 1 1358 . 1 1 A 110 110 LYS CB C 137 36.560 36.941 -0.381 2 1 1362 . 1 1 A 110 110 LYS N N 137 117.050 122.171 -5.121 2 1 1363 . 1 1 A 111 111 LEU H H 138 9.400 9.031 0.369 2 1 1364 . 1 1 A 111 111 LEU HA H 138 5.250 4.876 0.374 2 1 1374 . 1 1 A 111 111 LEU C C 138 176.470 176.729 -0.259 2 1 1375 . 1 1 A 111 111 LEU CA C 138 52.230 53.763 -1.533 2 1 1376 . 1 1 A 111 111 LEU CB C 138 42.810 41.615 1.195 2 1 1380 . 1 1 A 111 111 LEU N N 138 121.800 121.718 0.082 2 1 1381 . 1 1 A 112 112 ILE H H 139 9.080 9.054 0.026 2 1 1382 . 1 1 A 112 112 ILE HA H 139 5.420 4.358 1.062 2 1 1392 . 1 1 A 112 112 ILE C C 139 175.710 175.039 0.671 2 1 1393 . 1 1 A 112 112 ILE CA C 139 59.170 63.006 -3.836 2 1 1394 . 1 1 A 112 112 ILE CB C 139 41.010 37.118 3.892 2 1 1398 . 1 1 A 112 112 ILE N N 139 120.350 120.023 0.327 2 1 1399 . 1 1 A 113 113 ARG H H 140 8.550 8.658 -0.108 2 1 1400 . 1 1 A 113 113 ARG HA H 140 3.940 4.455 -0.515 2 1 1403 . 1 1 A 113 113 ARG C C 140 176.030 176.246 -0.216 2 1 1404 . 1 1 A 113 113 ARG CA C 140 56.180 55.451 0.729 2 1 1405 . 1 1 A 113 113 ARG CB C 140 30.770 29.539 1.231 2 1 1408 . 1 1 A 113 113 ARG N N 140 127.710 125.881 1.829 2 1 1409 . 1 1 A 114 114 GLY H H 141 8.530 8.359 0.171 2 1 1410 . 1 1 A 114 114 GLY HA2 H 141 4.000 3.920 0.080 2 1 1411 . 1 1 A 114 114 GLY HA3 H 141 3.820 3.929 -0.109 2 1 1412 . 1 1 A 114 114 GLY C C 141 172.650 174.439 -1.789 2 1 1413 . 1 1 A 114 114 GLY CA C 141 45.100 46.062 -0.962 2 1 1414 . 1 1 A 114 114 GLY N N 141 111.410 110.491 0.919 2 stop_ save_