data_15944_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15944
_Entry.PDB_ID 2K8F
_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 10
_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 THR C C 2 174.280 175.055 -0.775 1
1 2 . 1 1 1 A 2 2 THR CA C 2 61.820 65.571 -3.751 1
1 3 . 1 1 1 A 2 2 THR CB C 2 69.660 68.675 0.985 1
1 4 . 1 1 1 A 3 3 GLN H H 3 8.502 7.652 0.850 1
1 5 . 1 1 1 A 3 3 GLN HA H 3 4.485 4.108 0.377 1
1 9 . 1 1 1 A 3 3 GLN C C 3 175.680 176.306 -0.626 1
1 10 . 1 1 1 A 3 3 GLN CA C 3 55.490 57.181 -1.691 1
1 11 . 1 1 1 A 3 3 GLN CB C 3 28.570 29.097 -0.527 1
1 13 . 1 1 1 A 3 3 GLN N N 3 123.346 123.500 -0.154 1
1 14 . 1 1 1 A 4 4 SER H H 4 8.586 8.464 0.122 1
1 15 . 1 1 1 A 4 4 SER HA H 4 4.860 4.774 0.086 1
1 18 . 1 1 1 A 4 4 SER C C 4 173.240 173.433 -0.193 1
1 19 . 1 1 1 A 4 4 SER CA C 4 56.280 56.199 0.081 1
1 20 . 1 1 1 A 4 4 SER CB C 4 63.080 65.290 -2.210 1
1 21 . 1 1 1 A 4 4 SER N N 4 119.430 117.767 1.663 1
1 22 . 1 1 1 A 5 5 PRO HA H 5 4.490 4.214 0.276 1
1 29 . 1 1 1 A 5 5 PRO C C 5 178.020 178.405 -0.385 1
1 30 . 1 1 1 A 5 5 PRO CA C 5 63.740 65.323 -1.583 1
1 31 . 1 1 1 A 5 5 PRO CB C 5 30.120 31.698 -1.578 1
1 34 . 1 1 1 A 6 6 GLY H H 6 8.420 8.461 -0.041 1
1 35 . 1 1 1 A 6 6 GLY HA3 H 6 3.980 3.864 0.116 1
1 36 . 1 1 1 A 6 6 GLY C C 6 174.600 175.214 -0.614 1
1 37 . 1 1 1 A 6 6 GLY CA C 6 45.580 46.718 -1.138 1
1 38 . 1 1 1 A 6 6 GLY N N 6 108.250 105.412 2.838 1
1 39 . 1 1 1 A 7 7 ASP H H 7 8.080 8.393 -0.313 1
1 40 . 1 1 1 A 7 7 ASP HA H 7 4.660 4.467 0.193 1
1 42 . 1 1 1 A 7 7 ASP C C 7 177.440 178.332 -0.892 1
1 43 . 1 1 1 A 7 7 ASP CA C 7 54.960 56.345 -1.385 1
1 44 . 1 1 1 A 7 7 ASP CB C 7 40.740 40.730 0.010 1
1 45 . 1 1 1 A 7 7 ASP N N 7 121.210 121.962 -0.752 1
1 46 . 1 1 1 A 8 8 SER H H 8 8.363 8.014 0.349 1
1 47 . 1 1 1 A 8 8 SER HA H 8 4.330 4.203 0.127 1
1 49 . 1 1 1 A 8 8 SER C C 8 177.520 177.264 0.256 1
1 50 . 1 1 1 A 8 8 SER CA C 8 59.990 61.218 -1.228 1
1 51 . 1 1 1 A 8 8 SER CB C 8 62.540 63.115 -0.575 1
1 52 . 1 1 1 A 8 8 SER N N 8 117.020 115.029 1.991 1
1 53 . 1 1 1 A 9 9 ARG H H 9 8.270 8.436 -0.166 1
1 54 . 1 1 1 A 9 9 ARG HA H 9 4.820 4.165 0.655 1
1 59 . 1 1 1 A 9 9 ARG C C 9 177.800 178.962 -1.162 1
1 60 . 1 1 1 A 9 9 ARG CA C 9 58.170 58.963 -0.793 1
1 61 . 1 1 1 A 9 9 ARG CB C 9 29.490 29.779 -0.289 1
1 64 . 1 1 1 A 9 9 ARG N N 9 123.050 121.820 1.230 1
1 65 . 1 1 1 A 10 10 ARG H H 10 8.030 7.421 0.609 1
1 66 . 1 1 1 A 10 10 ARG HA H 10 4.100 4.034 0.066 1
1 73 . 1 1 1 A 10 10 ARG C C 10 177.900 178.950 -1.050 1
1 74 . 1 1 1 A 10 10 ARG CA C 10 57.100 58.839 -1.739 1
1 75 . 1 1 1 A 10 10 ARG CB C 10 29.490 29.840 -0.350 1
1 78 . 1 1 1 A 10 10 ARG N N 10 119.730 118.954 0.776 1
1 79 . 1 1 1 A 11 11 LEU H H 11 8.100 8.373 -0.273 1
1 80 . 1 1 1 A 11 11 LEU HA H 11 4.220 4.083 0.137 1
1 87 . 1 1 1 A 11 11 LEU C C 11 178.600 179.244 -0.644 1
1 88 . 1 1 1 A 11 11 LEU CA C 11 57.100 57.265 -0.165 1
1 89 . 1 1 1 A 11 11 LEU CB C 11 41.270 41.585 -0.315 1
1 92 . 1 1 1 A 11 11 LEU N N 11 120.770 120.597 0.173 1
1 93 . 1 1 1 A 12 12 SER H H 12 8.052 8.277 -0.225 1
1 94 . 1 1 1 A 12 12 SER HA H 12 4.250 4.159 0.091 1
1 97 . 1 1 1 A 12 12 SER C C 12 178.790 176.491 2.299 1
1 98 . 1 1 1 A 12 12 SER CA C 12 60.960 61.452 -0.492 1
1 99 . 1 1 1 A 12 12 SER CB C 12 62.580 62.940 -0.360 1
1 100 . 1 1 1 A 12 12 SER N N 12 115.760 114.143 1.617 1
1 101 . 1 1 1 A 13 13 ILE H H 13 8.000 7.758 0.242 1
1 102 . 1 1 1 A 13 13 ILE HA H 13 3.730 3.850 -0.120 1
1 112 . 1 1 1 A 13 13 ILE C C 13 179.740 178.054 1.686 1
1 113 . 1 1 1 A 13 13 ILE CA C 13 64.920 64.404 0.516 1
1 114 . 1 1 1 A 13 13 ILE CB C 13 37.200 37.181 0.019 1
1 118 . 1 1 1 A 13 13 ILE N N 13 123.290 118.764 4.526 1
1 119 . 1 1 1 A 14 14 GLN H H 14 8.110 8.027 0.083 1
1 120 . 1 1 1 A 14 14 GLN HA H 14 4.030 3.903 0.127 1
1 124 . 1 1 1 A 14 14 GLN C C 14 178.850 178.564 0.286 1
1 125 . 1 1 1 A 14 14 GLN CA C 14 59.170 59.252 -0.082 1
1 126 . 1 1 1 A 14 14 GLN CB C 14 27.810 28.280 -0.470 1
1 128 . 1 1 1 A 14 14 GLN N N 14 119.020 120.930 -1.910 1
1 129 . 1 1 1 A 15 15 ARG H H 15 8.360 7.789 0.571 1
1 130 . 1 1 1 A 15 15 ARG HA H 15 3.980 4.122 -0.142 1
1 137 . 1 1 1 A 15 15 ARG C C 15 177.020 178.791 -1.771 1
1 138 . 1 1 1 A 15 15 ARG CA C 15 59.030 59.067 -0.037 1
1 139 . 1 1 1 A 15 15 ARG CB C 15 29.460 30.109 -0.649 1
1 142 . 1 1 1 A 15 15 ARG N N 15 118.820 119.495 -0.675 1
1 143 . 1 1 1 A 16 16 ALA H H 16 8.000 7.688 0.312 1
1 144 . 1 1 1 A 16 16 ALA HA H 16 4.230 4.068 0.162 1
1 148 . 1 1 1 A 16 16 ALA C C 16 179.750 179.992 -0.242 1
1 149 . 1 1 1 A 16 16 ALA CA C 16 55.190 54.997 0.193 1
1 150 . 1 1 1 A 16 16 ALA CB C 16 18.020 17.969 0.051 1
1 151 . 1 1 1 A 16 16 ALA N N 16 123.800 121.703 2.097 1
1 152 . 1 1 1 A 17 17 ILE H H 17 8.490 9.083 -0.593 1
1 153 . 1 1 1 A 17 17 ILE HA H 17 3.760 3.529 0.231 1
1 163 . 1 1 1 A 17 17 ILE C C 17 178.300 178.159 0.141 1
1 164 . 1 1 1 A 17 17 ILE CA C 17 64.710 65.554 -0.844 1
1 165 . 1 1 1 A 17 17 ILE CB C 17 36.560 37.505 -0.945 1
1 169 . 1 1 1 A 17 17 ILE N N 17 118.260 118.983 -0.723 1
1 170 . 1 1 1 A 18 18 GLN H H 18 8.230 9.158 -0.928 1
1 171 . 1 1 1 A 18 18 GLN HA H 18 4.110 3.961 0.149 1
1 175 . 1 1 1 A 18 18 GLN C C 18 178.950 178.043 0.907 1
1 176 . 1 1 1 A 18 18 GLN CA C 18 59.030 58.907 0.123 1
1 177 . 1 1 1 A 18 18 GLN CB C 18 27.540 28.134 -0.594 1
1 179 . 1 1 1 A 18 18 GLN N N 18 118.800 118.624 0.176 1
1 180 . 1 1 1 A 19 19 SER H H 19 8.230 7.673 0.557 1
1 181 . 1 1 1 A 19 19 SER HA H 19 4.430 4.498 -0.068 1
1 184 . 1 1 1 A 19 19 SER C C 19 176.120 176.983 -0.863 1
1 185 . 1 1 1 A 19 19 SER CA C 19 61.600 61.249 0.351 1
1 186 . 1 1 1 A 19 19 SER CB C 19 62.580 62.955 -0.375 1
1 187 . 1 1 1 A 19 19 SER N N 19 116.040 115.340 0.700 1
1 188 . 1 1 1 A 20 20 LEU H H 20 8.250 9.408 -1.158 1
1 189 . 1 1 1 A 20 20 LEU HA H 20 4.090 4.078 0.012 1
1 199 . 1 1 1 A 20 20 LEU C C 20 177.180 178.612 -1.432 1
1 200 . 1 1 1 A 20 20 LEU CA C 20 58.390 58.066 0.324 1
1 201 . 1 1 1 A 20 20 LEU CB C 20 41.810 41.822 -0.012 1
1 205 . 1 1 1 A 20 20 LEU N N 20 125.460 123.251 2.209 1
1 206 . 1 1 1 A 21 21 VAL H H 21 8.520 9.140 -0.620 1
1 207 . 1 1 1 A 21 21 VAL HA H 21 3.340 3.542 -0.202 1
1 212 . 1 1 1 A 21 21 VAL C C 21 178.430 178.221 0.209 1
1 213 . 1 1 1 A 21 21 VAL CA C 21 66.510 66.519 -0.009 1
1 214 . 1 1 1 A 21 21 VAL CB C 21 31.270 31.515 -0.245 1
1 217 . 1 1 1 A 21 21 VAL N N 21 118.590 119.070 -0.480 1
1 218 . 1 1 1 A 22 22 HIS H H 22 7.950 7.900 0.050 1
1 219 . 1 1 1 A 22 22 HIS HA H 22 4.260 4.224 0.036 1
1 222 . 1 1 1 A 22 22 HIS C C 22 178.020 177.231 0.789 1
1 223 . 1 1 1 A 22 22 HIS CA C 22 59.770 59.862 -0.092 1
1 224 . 1 1 1 A 22 22 HIS CB C 22 27.230 29.786 -2.556 1
1 225 . 1 1 1 A 22 22 HIS N N 22 115.760 119.193 -3.433 1
1 226 . 1 1 1 A 23 23 ALA H H 23 8.580 9.472 -0.892 1
1 227 . 1 1 1 A 23 23 ALA HA H 23 4.190 3.924 0.266 1
1 231 . 1 1 1 A 23 23 ALA C C 23 179.210 179.015 0.195 1
1 232 . 1 1 1 A 23 23 ALA CA C 23 54.420 54.788 -0.368 1
1 233 . 1 1 1 A 23 23 ALA CB C 23 19.010 17.846 1.164 1
1 234 . 1 1 1 A 23 23 ALA N N 23 121.190 120.811 0.379 1
1 235 . 1 1 1 A 24 24 ALA H H 24 8.240 8.012 0.228 1
1 236 . 1 1 1 A 24 24 ALA HA H 24 4.110 4.088 0.022 1
1 240 . 1 1 1 A 24 24 ALA C C 24 177.610 177.949 -0.339 1
1 241 . 1 1 1 A 24 24 ALA CA C 24 53.540 52.933 0.607 1
1 242 . 1 1 1 A 24 24 ALA CB C 24 18.060 19.087 -1.027 1
1 243 . 1 1 1 A 24 24 ALA N N 24 116.530 118.905 -2.375 1
1 244 . 1 1 1 A 25 25 GLN H H 25 7.230 7.691 -0.461 1
1 245 . 1 1 1 A 25 25 GLN HA H 25 4.540 4.427 0.113 1
1 250 . 1 1 1 A 25 25 GLN C C 25 174.530 176.296 -1.766 1
1 251 . 1 1 1 A 25 25 GLN CA C 25 54.400 56.168 -1.768 1
1 252 . 1 1 1 A 25 25 GLN CB C 25 30.090 31.210 -1.120 1
1 254 . 1 1 1 A 25 25 GLN N N 25 112.050 114.605 -2.555 1
1 255 . 1 1 1 A 26 26 CYS H H 26 7.320 8.595 -1.275 1
1 256 . 1 1 1 A 26 26 CYS HA H 26 3.920 4.425 -0.505 1
1 259 . 1 1 1 A 26 26 CYS C C 26 176.230 174.117 2.113 1
1 260 . 1 1 1 A 26 26 CYS CA C 26 60.480 57.556 2.924 1
1 261 . 1 1 1 A 26 26 CYS CB C 26 28.470 26.665 1.805 1
1 262 . 1 1 1 A 26 26 CYS N N 26 124.310 119.319 4.991 1
1 263 . 1 1 1 A 27 27 ARG H H 27 8.840 8.634 0.206 1
1 264 . 1 1 1 A 27 27 ARG HA H 27 4.650 4.325 0.325 1
1 271 . 1 1 1 A 27 27 ARG C C 27 175.270 176.174 -0.904 1
1 272 . 1 1 1 A 27 27 ARG CA C 27 54.320 54.916 -0.596 1
1 273 . 1 1 1 A 27 27 ARG CB C 27 29.490 28.541 0.949 1
1 276 . 1 1 1 A 27 27 ARG N N 27 129.620 128.186 1.434 1
1 277 . 1 1 1 A 28 28 ASN H H 28 7.930 7.867 0.063 1
1 278 . 1 1 1 A 28 28 ASN HA H 28 4.890 4.523 0.367 1
1 281 . 1 1 1 A 28 28 ASN C C 28 175.240 175.119 0.121 1
1 282 . 1 1 1 A 28 28 ASN CA C 28 51.540 55.986 -4.446 1
1 283 . 1 1 1 A 28 28 ASN CB C 28 38.460 39.202 -0.742 1
1 284 . 1 1 1 A 28 28 ASN N N 28 120.580 123.225 -2.645 1
1 285 . 1 1 1 A 29 29 ALA H H 29 9.100 7.890 1.210 1
1 286 . 1 1 1 A 29 29 ALA HA H 29 4.120 3.969 0.151 1
1 290 . 1 1 1 A 29 29 ALA C C 29 178.010 177.385 0.625 1
1 291 . 1 1 1 A 29 29 ALA CA C 29 54.040 55.188 -1.148 1
1 292 . 1 1 1 A 29 29 ALA CB C 29 18.020 17.044 0.976 1
1 293 . 1 1 1 A 29 29 ALA N N 29 130.290 120.632 9.658 1
1 294 . 1 1 1 A 30 30 ASN H H 30 8.080 8.225 -0.145 1
1 295 . 1 1 1 A 30 30 ASN HA H 30 4.900 4.885 0.015 1
1 298 . 1 1 1 A 30 30 ASN C C 30 174.150 174.741 -0.591 1
1 299 . 1 1 1 A 30 30 ASN CA C 30 51.490 53.403 -1.913 1
1 300 . 1 1 1 A 30 30 ASN CB C 30 38.200 38.890 -0.690 1
1 301 . 1 1 1 A 30 30 ASN N N 30 114.290 115.422 -1.132 1
1 302 . 1 1 1 A 31 31 CYS H H 31 7.170 7.396 -0.226 1
1 303 . 1 1 1 A 31 31 CYS HA H 31 4.079 4.306 -0.227 1
1 306 . 1 1 1 A 31 31 CYS C C 31 176.800 176.338 0.462 1
1 307 . 1 1 1 A 31 31 CYS CA C 31 61.430 60.052 1.378 1
1 308 . 1 1 1 A 31 31 CYS CB C 31 29.428 28.235 1.193 1
1 309 . 1 1 1 A 31 31 CYS N N 31 123.080 120.657 2.423 1
1 310 . 1 1 1 A 32 32 SER H H 32 8.740 8.818 -0.078 1
1 311 . 1 1 1 A 32 32 SER HA H 32 4.150 4.511 -0.361 1
1 314 . 1 1 1 A 32 32 SER C C 32 174.850 174.140 0.710 1
1 315 . 1 1 1 A 32 32 SER CA C 32 57.570 58.890 -1.320 1
1 316 . 1 1 1 A 32 32 SER CB C 32 63.540 63.685 -0.145 1
1 317 . 1 1 1 A 32 32 SER N N 32 124.210 121.242 2.968 1
1 318 . 1 1 1 A 33 33 LEU H H 33 8.520 7.651 0.869 1
1 319 . 1 1 1 A 33 33 LEU HA H 33 4.570 4.664 -0.094 1
1 329 . 1 1 1 A 33 33 LEU C C 33 176.850 175.940 0.910 1
1 330 . 1 1 1 A 33 33 LEU CA C 33 54.080 51.298 2.782 1
1 331 . 1 1 1 A 33 33 LEU CB C 33 40.420 41.744 -1.324 1
1 335 . 1 1 1 A 33 33 LEU N N 33 128.730 124.326 4.404 1
1 336 . 1 1 1 A 34 34 PRO HA H 34 4.360 4.329 0.031 1
1 343 . 1 1 1 A 34 34 PRO C C 34 178.380 178.152 0.228 1
1 344 . 1 1 1 A 34 34 PRO CA C 34 64.970 65.031 -0.061 1
1 345 . 1 1 1 A 34 34 PRO CB C 34 31.230 31.984 -0.754 1
1 348 . 1 1 1 A 35 35 SER H H 35 8.300 8.483 -0.183 1
1 349 . 1 1 1 A 35 35 SER HA H 35 4.320 4.232 0.088 1
1 352 . 1 1 1 A 35 35 SER C C 35 178.350 176.586 1.764 1
1 353 . 1 1 1 A 35 35 SER CA C 35 59.953 61.421 -1.468 1
1 354 . 1 1 1 A 35 35 SER CB C 35 62.470 62.831 -0.361 1
1 355 . 1 1 1 A 35 35 SER N N 35 111.680 112.950 -1.270 1
1 356 . 1 1 1 A 36 36 CYS H H 36 7.500 8.916 -1.416 1
1 357 . 1 1 1 A 36 36 CYS HA H 36 4.242 4.148 0.094 1
1 360 . 1 1 1 A 36 36 CYS C C 36 176.630 177.118 -0.488 1
1 361 . 1 1 1 A 36 36 CYS CA C 36 63.710 63.617 0.093 1
1 362 . 1 1 1 A 36 36 CYS CB C 36 29.170 27.515 1.655 1
1 363 . 1 1 1 A 36 36 CYS N N 36 125.580 120.171 5.409 1
1 364 . 1 1 1 A 37 37 GLN H H 37 8.170 7.827 0.343 1
1 365 . 1 1 1 A 37 37 GLN HA H 37 4.010 3.980 0.030 1
1 369 . 1 1 1 A 37 37 GLN C C 37 178.900 177.929 0.971 1
1 370 . 1 1 1 A 37 37 GLN CA C 37 59.580 58.692 0.888 1
1 371 . 1 1 1 A 37 37 GLN CB C 37 27.560 28.404 -0.844 1
1 373 . 1 1 1 A 37 37 GLN N N 37 116.020 120.055 -4.035 1
1 374 . 1 1 1 A 38 38 LYS H H 38 7.840 7.731 0.109 1
1 375 . 1 1 1 A 38 38 LYS HA H 38 4.079 4.137 -0.058 1
1 381 . 1 1 1 A 38 38 LYS C C 38 179.300 179.508 -0.208 1
1 382 . 1 1 1 A 38 38 LYS CA C 38 59.280 59.144 0.136 1
1 383 . 1 1 1 A 38 38 LYS CB C 38 32.120 31.959 0.161 1
1 387 . 1 1 1 A 38 38 LYS N N 38 117.000 120.062 -3.062 1
1 388 . 1 1 1 A 39 39 MET H H 39 8.270 8.283 -0.013 1
1 389 . 1 1 1 A 39 39 MET HA H 39 4.580 4.228 0.352 1
1 394 . 1 1 1 A 39 39 MET C C 39 179.710 178.806 0.904 1
1 395 . 1 1 1 A 39 39 MET CA C 39 56.330 58.749 -2.419 1
1 396 . 1 1 1 A 39 39 MET CB C 39 31.180 31.738 -0.558 1
1 398 . 1 1 1 A 39 39 MET N N 39 118.020 117.869 0.151 1
1 399 . 1 1 1 A 40 40 LYS H H 40 9.530 8.836 0.694 1
1 400 . 1 1 1 A 40 40 LYS HA H 40 3.860 4.019 -0.159 1
1 406 . 1 1 1 A 40 40 LYS C C 40 179.620 178.800 0.820 1
1 407 . 1 1 1 A 40 40 LYS CA C 40 61.360 59.959 1.401 1
1 408 . 1 1 1 A 40 40 LYS CB C 40 32.120 32.176 -0.056 1
1 412 . 1 1 1 A 40 40 LYS N N 40 122.280 119.332 2.948 1
1 413 . 1 1 1 A 41 41 ARG H H 41 7.560 7.754 -0.194 1
1 414 . 1 1 1 A 41 41 ARG HA H 41 4.200 4.137 0.063 1
1 421 . 1 1 1 A 41 41 ARG C C 41 179.650 178.894 0.756 1
1 422 . 1 1 1 A 41 41 ARG CA C 41 59.350 58.697 0.653 1
1 423 . 1 1 1 A 41 41 ARG CB C 41 29.300 29.913 -0.613 1
1 426 . 1 1 1 A 41 41 ARG N N 41 117.590 120.163 -2.573 1
1 427 . 1 1 1 A 42 42 VAL H H 42 7.570 7.530 0.040 1
1 428 . 1 1 1 A 42 42 VAL HA H 42 3.670 3.675 -0.005 1
1 436 . 1 1 1 A 42 42 VAL C C 42 177.480 178.521 -1.041 1
1 437 . 1 1 1 A 42 42 VAL CA C 42 66.420 66.201 0.219 1
1 438 . 1 1 1 A 42 42 VAL CB C 42 30.700 31.733 -1.033 1
1 441 . 1 1 1 A 42 42 VAL N N 42 121.450 119.560 1.890 1
1 442 . 1 1 1 A 43 43 VAL H H 43 8.450 8.904 -0.454 1
1 443 . 1 1 1 A 43 43 VAL HA H 43 3.540 3.675 -0.135 1
1 448 . 1 1 1 A 43 43 VAL C C 43 178.950 178.157 0.793 1
1 449 . 1 1 1 A 43 43 VAL CA C 43 66.940 66.590 0.350 1
1 450 . 1 1 1 A 43 43 VAL CB C 43 31.090 31.762 -0.672 1
1 452 . 1 1 1 A 43 43 VAL N N 43 120.380 120.827 -0.447 1
1 453 . 1 1 1 A 44 44 GLN H H 44 8.400 9.570 -1.170 1
1 454 . 1 1 1 A 44 44 GLN HA H 44 4.020 3.997 0.023 1
1 457 . 1 1 1 A 44 44 GLN C C 44 177.240 178.424 -1.184 1
1 458 . 1 1 1 A 44 44 GLN CA C 44 58.550 58.766 -0.216 1
1 459 . 1 1 1 A 44 44 GLN CB C 44 27.550 28.213 -0.663 1
1 461 . 1 1 1 A 44 44 GLN N N 44 119.280 117.828 1.452 1
1 462 . 1 1 1 A 45 45 HIS H H 45 8.070 8.041 0.029 1
1 463 . 1 1 1 A 45 45 HIS HA H 45 4.280 4.301 -0.021 1
1 465 . 1 1 1 A 45 45 HIS C C 45 177.800 177.073 0.727 1
1 466 . 1 1 1 A 45 45 HIS CA C 45 59.440 59.145 0.295 1
1 467 . 1 1 1 A 45 45 HIS CB C 45 26.760 29.763 -3.003 1
1 468 . 1 1 1 A 45 45 HIS N N 45 119.000 121.395 -2.395 1
1 469 . 1 1 1 A 46 46 THR H H 46 7.800 8.827 -1.027 1
1 470 . 1 1 1 A 46 46 THR HA H 46 3.870 3.704 0.166 1
1 475 . 1 1 1 A 46 46 THR C C 46 175.850 176.384 -0.534 1
1 476 . 1 1 1 A 46 46 THR CA C 46 65.410 66.915 -1.505 1
1 477 . 1 1 1 A 46 46 THR CB C 46 68.850 68.651 0.199 1
1 479 . 1 1 1 A 46 46 THR N N 46 110.300 115.399 -5.099 1
1 480 . 1 1 1 A 47 47 LYS H H 47 7.310 8.108 -0.798 1
1 481 . 1 1 1 A 47 47 LYS HA H 47 4.100 4.105 -0.005 1
1 488 . 1 1 1 A 47 47 LYS C C 47 177.640 179.856 -2.216 1
1 489 . 1 1 1 A 47 47 LYS CA C 47 58.310 59.348 -1.038 1
1 490 . 1 1 1 A 47 47 LYS CB C 47 31.420 32.070 -0.650 1
1 494 . 1 1 1 A 47 47 LYS N N 47 120.240 119.578 0.662 1
1 495 . 1 1 1 A 48 48 GLY H H 48 7.159 7.570 -0.411 1
1 496 . 1 1 1 A 48 48 GLY HA2 H 48 4.410 3.932 0.478 1
1 497 . 1 1 1 A 48 48 GLY HA3 H 48 3.680 3.960 -0.280 1
1 498 . 1 1 1 A 48 48 GLY C C 48 173.850 174.258 -0.408 1
1 499 . 1 1 1 A 48 48 GLY CA C 48 44.433 46.667 -2.234 1
1 500 . 1 1 1 A 48 48 GLY N N 48 103.360 106.720 -3.360 1
1 501 . 1 1 1 A 49 49 CYS H H 49 6.910 7.317 -0.407 1
1 502 . 1 1 1 A 49 49 CYS HA H 49 4.020 4.680 -0.660 1
1 505 . 1 1 1 A 49 49 CYS C C 49 176.710 174.208 2.502 1
1 506 . 1 1 1 A 49 49 CYS CA C 49 60.620 57.287 3.333 1
1 507 . 1 1 1 A 49 49 CYS CB C 49 29.260 28.809 0.451 1
1 508 . 1 1 1 A 49 49 CYS N N 49 123.280 119.019 4.261 1
1 509 . 1 1 1 A 50 50 LYS H H 50 8.960 9.037 -0.077 1
1 510 . 1 1 1 A 50 50 LYS HA H 50 3.980 4.105 -0.125 1
1 519 . 1 1 1 A 50 50 LYS C C 50 177.580 178.780 -1.200 1
1 520 . 1 1 1 A 50 50 LYS CA C 50 56.280 58.908 -2.628 1
1 521 . 1 1 1 A 50 50 LYS CB C 50 32.150 32.555 -0.405 1
1 525 . 1 1 1 A 50 50 LYS N N 50 128.200 125.866 2.334 1
1 526 . 1 1 1 A 51 51 ARG H H 51 8.530 7.996 0.534 1
1 527 . 1 1 1 A 51 51 ARG HA H 51 4.460 4.098 0.362 1
1 533 . 1 1 1 A 51 51 ARG C C 51 176.700 178.524 -1.824 1
1 534 . 1 1 1 A 51 51 ARG CA C 51 57.203 59.087 -1.884 1
1 535 . 1 1 1 A 51 51 ARG CB C 51 30.969 30.031 0.938 1
1 538 . 1 1 1 A 51 51 ARG N N 51 122.350 120.939 1.411 1
1 539 . 1 1 1 A 52 52 LYS H H 52 8.420 7.801 0.619 1
1 540 . 1 1 1 A 52 52 LYS HA H 52 4.470 4.230 0.240 1
1 549 . 1 1 1 A 52 52 LYS C C 52 177.300 179.167 -1.867 1
1 550 . 1 1 1 A 52 52 LYS CA C 52 57.600 58.881 -1.281 1
1 551 . 1 1 1 A 52 52 LYS CB C 52 31.627 32.116 -0.489 1
1 555 . 1 1 1 A 52 52 LYS N N 52 118.820 119.369 -0.549 1
1 556 . 1 1 1 A 53 53 THR H H 53 7.760 7.753 0.007 1
1 557 . 1 1 1 A 53 53 THR HA H 53 4.230 4.175 0.055 1
1 562 . 1 1 1 A 53 53 THR C C 53 175.700 175.266 0.434 1
1 563 . 1 1 1 A 53 53 THR CA C 53 63.390 65.874 -2.484 1
1 564 . 1 1 1 A 53 53 THR CB C 53 68.220 68.723 -0.503 1
1 566 . 1 1 1 A 53 53 THR N N 53 112.860 117.675 -4.815 1
1 567 . 1 1 1 A 54 54 ASN H H 54 8.260 8.026 0.234 1
1 568 . 1 1 1 A 54 54 ASN HA H 54 4.110 4.790 -0.680 1
1 570 . 1 1 1 A 54 54 ASN C C 54 175.970 175.639 0.331 1
1 571 . 1 1 1 A 54 54 ASN CA C 54 53.300 53.111 0.189 1
1 572 . 1 1 1 A 54 54 ASN CB C 54 37.810 39.076 -1.266 1
1 573 . 1 1 1 A 54 54 ASN N N 54 119.690 116.604 3.086 1
1 574 . 1 1 1 A 55 55 GLY H H 55 7.960 8.208 -0.248 1
1 575 . 1 1 1 A 55 55 GLY HA2 H 55 4.010 3.952 0.058 1
1 576 . 1 1 1 A 55 55 GLY HA3 H 55 4.010 3.960 0.050 1
1 577 . 1 1 1 A 55 55 GLY C C 55 175.270 175.814 -0.544 1
1 578 . 1 1 1 A 55 55 GLY CA C 55 45.610 45.457 0.153 1
1 579 . 1 1 1 A 55 55 GLY N N 55 107.340 107.042 0.298 1
1 580 . 1 1 1 A 56 56 GLY H H 56 7.820 7.730 0.090 1
1 581 . 1 1 1 A 56 56 GLY HA2 H 56 3.970 3.890 0.080 1
1 582 . 1 1 1 A 56 56 GLY HA3 H 56 3.970 3.894 0.076 1
1 583 . 1 1 1 A 56 56 GLY C C 56 173.320 174.561 -1.241 1
1 584 . 1 1 1 A 56 56 GLY CA C 56 45.350 47.366 -2.016 1
1 585 . 1 1 1 A 56 56 GLY N N 56 107.080 107.501 -0.421 1
1 586 . 1 1 1 A 57 57 CYS H H 57 8.010 7.743 0.267 1
1 587 . 1 1 1 A 57 57 CYS HA H 57 4.870 4.731 0.139 1
1 590 . 1 1 1 A 57 57 CYS C C 57 175.610 174.684 0.926 1
1 591 . 1 1 1 A 57 57 CYS CA C 57 55.340 56.950 -1.610 1
1 592 . 1 1 1 A 57 57 CYS CB C 57 30.160 28.826 1.334 1
1 593 . 1 1 1 A 57 57 CYS N N 57 122.570 118.256 4.314 1
1 594 . 1 1 1 A 58 58 PRO HA H 58 4.320 4.301 0.019 1
1 601 . 1 1 1 A 58 58 PRO CA C 58 64.550 65.300 -0.750 1
1 602 . 1 1 1 A 58 58 PRO CB C 58 32.050 31.871 0.179 1
1 605 . 1 1 1 A 59 59 ILE H H 59 7.917 7.135 0.782 1
1 606 . 1 1 1 A 59 59 ILE HA H 59 3.550 3.863 -0.313 1
1 616 . 1 1 1 A 59 59 ILE C C 59 178.040 177.909 0.131 1
1 617 . 1 1 1 A 59 59 ILE CA C 59 64.540 64.435 0.105 1
1 618 . 1 1 1 A 59 59 ILE CB C 59 38.160 37.983 0.177 1
1 622 . 1 1 1 A 59 59 ILE N N 59 120.680 116.706 3.974 1
1 623 . 1 1 1 A 60 60 CYS H H 60 8.920 8.209 0.711 1
1 624 . 1 1 1 A 60 60 CYS HA H 60 4.105 4.083 0.022 1
1 627 . 1 1 1 A 60 60 CYS C C 60 177.540 177.198 0.342 1
1 628 . 1 1 1 A 60 60 CYS CA C 60 66.000 63.312 2.688 1
1 629 . 1 1 1 A 60 60 CYS CB C 60 28.750 27.575 1.175 1
1 630 . 1 1 1 A 60 60 CYS N N 60 123.890 118.775 5.115 1
1 631 . 1 1 1 A 61 61 LYS H H 61 8.100 8.784 -0.684 1
1 632 . 1 1 1 A 61 61 LYS HA H 61 3.920 3.894 0.026 1
1 639 . 1 1 1 A 61 61 LYS C C 61 179.030 179.112 -0.082 1
1 640 . 1 1 1 A 61 61 LYS CA C 61 59.610 59.669 -0.059 1
1 641 . 1 1 1 A 61 61 LYS CB C 61 32.040 32.580 -0.540 1
1 645 . 1 1 1 A 61 61 LYS N N 61 117.130 121.593 -4.463 1
1 646 . 1 1 1 A 62 62 GLN H H 62 7.010 8.271 -1.261 1
1 647 . 1 1 1 A 62 62 GLN HA H 62 4.150 4.056 0.094 1
1 652 . 1 1 1 A 62 62 GLN C C 62 178.340 178.594 -0.254 1
1 653 . 1 1 1 A 62 62 GLN CA C 62 58.520 58.508 0.012 1
1 654 . 1 1 1 A 62 62 GLN CB C 62 27.587 28.506 -0.919 1
1 656 . 1 1 1 A 62 62 GLN N N 62 117.000 118.780 -1.780 1
1 657 . 1 1 1 A 63 63 LEU H H 63 7.980 8.017 -0.037 1
1 658 . 1 1 1 A 63 63 LEU HA H 63 4.160 4.024 0.136 1
1 667 . 1 1 1 A 63 63 LEU C C 63 179.060 178.167 0.893 1
1 668 . 1 1 1 A 63 63 LEU CA C 63 57.830 58.044 -0.214 1
1 669 . 1 1 1 A 63 63 LEU CB C 63 41.270 41.322 -0.052 1
1 673 . 1 1 1 A 63 63 LEU N N 63 119.730 121.443 -1.713 1
1 674 . 1 1 1 A 64 64 ILE H H 64 8.481 8.813 -0.332 1
1 675 . 1 1 1 A 64 64 ILE HA H 64 3.650 3.291 0.359 1
1 685 . 1 1 1 A 64 64 ILE C C 64 179.930 177.749 2.181 1
1 686 . 1 1 1 A 64 64 ILE CA C 64 65.220 65.691 -0.471 1
1 687 . 1 1 1 A 64 64 ILE CB C 64 36.960 37.610 -0.650 1
1 691 . 1 1 1 A 64 64 ILE N N 64 120.350 119.628 0.722 1
1 692 . 1 1 1 A 65 65 ALA H H 65 7.300 7.704 -0.404 1
1 693 . 1 1 1 A 65 65 ALA HA H 65 4.200 3.994 0.206 1
1 697 . 1 1 1 A 65 65 ALA C C 65 180.010 180.060 -0.050 1
1 698 . 1 1 1 A 65 65 ALA CA C 65 54.940 55.613 -0.673 1
1 699 . 1 1 1 A 65 65 ALA CB C 65 18.010 18.692 -0.682 1
1 700 . 1 1 1 A 65 65 ALA N N 65 122.510 123.360 -0.850 1
1 701 . 1 1 1 A 66 66 LEU H H 66 8.120 8.406 -0.286 1
1 702 . 1 1 1 A 66 66 LEU HA H 66 4.100 4.308 -0.208 1
1 712 . 1 1 1 A 66 66 LEU C C 66 179.480 178.613 0.867 1
1 713 . 1 1 1 A 66 66 LEU CA C 66 57.540 57.925 -0.385 1
1 714 . 1 1 1 A 66 66 LEU CB C 66 41.940 41.351 0.589 1
1 718 . 1 1 1 A 66 66 LEU N N 66 115.490 120.153 -4.663 1
1 719 . 1 1 1 A 67 67 ALA H H 67 8.840 9.131 -0.291 1
1 720 . 1 1 1 A 67 67 ALA HA H 67 4.000 4.113 -0.113 1
1 724 . 1 1 1 A 67 67 ALA C C 67 179.000 179.644 -0.644 1
1 725 . 1 1 1 A 67 67 ALA CA C 67 55.490 55.191 0.299 1
1 726 . 1 1 1 A 67 67 ALA CB C 67 18.460 18.322 0.138 1
1 727 . 1 1 1 A 67 67 ALA N N 67 121.500 120.700 0.800 1
1 728 . 1 1 1 A 68 68 ALA H H 68 8.500 8.334 0.166 1
1 729 . 1 1 1 A 68 68 ALA HA H 68 4.160 3.982 0.178 1
1 733 . 1 1 1 A 68 68 ALA C C 68 179.070 179.533 -0.463 1
1 734 . 1 1 1 A 68 68 ALA CA C 68 55.290 54.975 0.315 1
1 735 . 1 1 1 A 68 68 ALA CB C 68 17.524 18.704 -1.180 1
1 736 . 1 1 1 A 68 68 ALA N N 68 120.100 119.984 0.116 1
1 737 . 1 1 1 A 69 69 TYR H H 69 7.850 8.022 -0.172 1
1 738 . 1 1 1 A 69 69 TYR HA H 69 4.310 4.350 -0.040 1
1 741 . 1 1 1 A 69 69 TYR CA C 69 56.141 60.926 -4.785 1
1 742 . 1 1 1 A 69 69 TYR CB C 69 37.943 38.200 -0.257 1
1 743 . 1 1 1 A 69 69 TYR N N 69 118.930 115.990 2.940 1
1 744 . 1 1 1 A 70 70 HIS H H 70 7.960 8.087 -0.127 1
1 745 . 1 1 1 A 70 70 HIS HA H 70 4.510 4.284 0.226 1
1 748 . 1 1 1 A 70 70 HIS CA C 70 54.640 60.532 -5.892 1
1 749 . 1 1 1 A 70 70 HIS CB C 70 27.560 29.877 -2.317 1
1 750 . 1 1 1 A 70 70 HIS N N 70 125.790 119.653 6.137 1
1 751 . 1 1 1 A 71 71 ALA H H 71 9.190 9.251 -0.061 1
1 752 . 1 1 1 A 71 71 ALA HA H 71 3.960 3.921 0.039 1
1 756 . 1 1 1 A 71 71 ALA C C 71 179.070 179.772 -0.702 1
1 757 . 1 1 1 A 71 71 ALA CA C 71 54.510 54.985 -0.475 1
1 758 . 1 1 1 A 71 71 ALA CB C 71 19.240 18.161 1.079 1
1 759 . 1 1 1 A 71 71 ALA N N 71 121.760 121.028 0.732 1
1 760 . 1 1 1 A 72 72 LYS H H 72 6.950 7.581 -0.631 1
1 761 . 1 1 1 A 72 72 LYS HA H 72 3.920 4.113 -0.193 1
1 770 . 1 1 1 A 72 72 LYS C C 72 176.750 179.108 -2.358 1
1 771 . 1 1 1 A 72 72 LYS CA C 72 57.690 59.099 -1.409 1
1 772 . 1 1 1 A 72 72 LYS CB C 72 31.720 32.744 -1.024 1
1 776 . 1 1 1 A 72 72 LYS N N 72 114.500 117.576 -3.076 1
1 777 . 1 1 1 A 73 73 HIS H H 73 7.140 8.443 -1.303 1
1 778 . 1 1 1 A 73 73 HIS HA H 73 4.830 4.210 0.620 1
1 781 . 1 1 1 A 73 73 HIS C C 73 173.590 175.973 -2.383 1
1 782 . 1 1 1 A 73 73 HIS CA C 73 54.070 59.746 -5.676 1
1 783 . 1 1 1 A 73 73 HIS CB C 73 29.640 29.793 -0.153 1
1 784 . 1 1 1 A 73 73 HIS N N 73 113.180 119.339 -6.159 1
1 785 . 1 1 1 A 74 74 CYS H H 74 7.020 8.202 -1.182 1
1 786 . 1 1 1 A 74 74 CYS HA H 74 4.140 4.211 -0.071 1
1 789 . 1 1 1 A 74 74 CYS C C 74 176.120 175.350 0.770 1
1 790 . 1 1 1 A 74 74 CYS CA C 74 59.829 58.552 1.277 1
1 791 . 1 1 1 A 74 74 CYS CB C 74 29.473 27.499 1.974 1
1 792 . 1 1 1 A 74 74 CYS N N 74 123.590 117.512 6.078 1
1 793 . 1 1 1 A 75 75 GLN H H 75 9.070 8.910 0.160 1
1 794 . 1 1 1 A 75 75 GLN HA H 75 4.705 4.336 0.369 1
1 798 . 1 1 1 A 75 75 GLN C C 75 175.620 175.259 0.361 1
1 799 . 1 1 1 A 75 75 GLN CA C 75 54.290 57.061 -2.771 1
1 800 . 1 1 1 A 75 75 GLN CB C 75 28.760 28.908 -0.148 1
1 802 . 1 1 1 A 75 75 GLN N N 75 128.650 127.970 0.680 1
1 803 . 1 1 1 A 76 76 GLU H H 76 8.260 7.673 0.587 1
1 804 . 1 1 1 A 76 76 GLU HA H 76 4.410 4.837 -0.427 1
1 809 . 1 1 1 A 76 76 GLU C C 76 176.700 175.333 1.367 1
1 810 . 1 1 1 A 76 76 GLU CA C 76 55.510 55.462 0.048 1
1 811 . 1 1 1 A 76 76 GLU CB C 76 29.860 32.439 -2.579 1
1 813 . 1 1 1 A 76 76 GLU N N 76 123.000 120.366 2.634 1
1 814 . 1 1 1 A 77 77 ASN H H 77 8.830 8.571 0.259 1
1 815 . 1 1 1 A 77 77 ASN HA H 77 4.530 4.728 -0.198 1
1 818 . 1 1 1 A 77 77 ASN C C 77 175.700 175.873 -0.173 1
1 819 . 1 1 1 A 77 77 ASN CA C 77 55.030 51.970 3.060 1
1 820 . 1 1 1 A 77 77 ASN CB C 77 38.030 37.881 0.149 1
1 821 . 1 1 1 A 77 77 ASN N N 77 125.100 124.076 1.024 1
1 822 . 1 1 1 A 78 78 LYS H H 78 8.660 8.407 0.253 1
1 823 . 1 1 1 A 78 78 LYS HA H 78 4.440 3.968 0.472 1
1 832 . 1 1 1 A 78 78 LYS C C 78 174.930 176.413 -1.483 1
1 833 . 1 1 1 A 78 78 LYS CA C 78 54.120 59.209 -5.089 1
1 834 . 1 1 1 A 78 78 LYS CB C 78 30.120 32.452 -2.332 1
1 838 . 1 1 1 A 78 78 LYS N N 78 120.580 125.568 -4.988 1
1 839 . 1 1 1 A 79 79 CYS H H 79 7.320 7.807 -0.487 1
1 840 . 1 1 1 A 79 79 CYS HA H 79 4.160 4.493 -0.333 1
1 843 . 1 1 1 A 79 79 CYS C C 79 176.230 174.682 1.548 1
1 844 . 1 1 1 A 79 79 CYS CA C 79 60.480 60.113 0.367 1
1 845 . 1 1 1 A 79 79 CYS CB C 79 28.440 28.410 0.030 1
1 846 . 1 1 1 A 79 79 CYS N N 79 124.350 113.228 11.122 1
1 847 . 1 1 1 A 80 80 PRO HA H 80 4.730 4.348 0.382 1
1 854 . 1 1 1 A 80 80 PRO CA C 80 62.580 64.830 -2.250 1
1 855 . 1 1 1 A 80 80 PRO CB C 80 31.540 31.580 -0.040 1
1 858 . 1 1 1 A 81 81 VAL H H 81 9.030 7.785 1.245 1
1 859 . 1 1 1 A 81 81 VAL HA H 81 3.570 4.084 -0.514 1
1 867 . 1 1 1 A 81 81 VAL CA C 81 62.220 61.070 1.150 1
1 868 . 1 1 1 A 81 81 VAL CB C 81 30.990 31.999 -1.009 1
1 871 . 1 1 1 A 81 81 VAL N N 81 127.570 119.567 8.003 1
1 872 . 1 1 1 A 82 82 PRO HA H 82 4.860 4.195 0.665 1
1 879 . 1 1 1 A 82 82 PRO CA C 82 62.860 65.481 -2.621 1
1 880 . 1 1 1 A 82 82 PRO CB C 82 31.550 31.206 0.344 1
1 883 . 1 1 1 A 83 83 PHE H H 83 6.940 6.680 0.260 1
1 884 . 1 1 1 A 83 83 PHE HA H 83 4.460 4.261 0.199 1
1 887 . 1 1 1 A 83 83 PHE C C 83 177.240 178.352 -1.112 1
1 888 . 1 1 1 A 83 83 PHE CA C 83 59.880 60.926 -1.046 1
1 889 . 1 1 1 A 83 83 PHE CB C 83 37.550 38.265 -0.715 1
1 890 . 1 1 1 A 83 83 PHE N N 83 123.530 117.166 6.364 1
1 891 . 1 1 1 A 84 84 CYS H H 84 7.020 8.324 -1.304 1
1 892 . 1 1 1 A 84 84 CYS HA H 84 4.100 4.228 -0.128 1
1 895 . 1 1 1 A 84 84 CYS CA C 84 66.560 62.308 4.252 1
1 896 . 1 1 1 A 84 84 CYS CB C 84 29.770 27.345 2.425 1
1 897 . 1 1 1 A 84 84 CYS N N 84 111.010 118.363 -7.353 1
1 898 . 1 1 1 A 85 85 LEU H H 85 8.190 7.874 0.316 1
1 899 . 1 1 1 A 85 85 LEU HA H 85 4.130 3.890 0.240 1
1 908 . 1 1 1 A 85 85 LEU C C 85 178.700 179.405 -0.705 1
1 909 . 1 1 1 A 85 85 LEU CA C 85 57.450 58.011 -0.561 1
1 910 . 1 1 1 A 85 85 LEU CB C 85 41.720 41.456 0.264 1
1 914 . 1 1 1 A 85 85 LEU N N 85 120.080 121.226 -1.146 1
1 915 . 1 1 1 A 86 86 ASN H H 86 7.740 7.948 -0.208 1
1 916 . 1 1 1 A 86 86 ASN HA H 86 4.530 4.528 0.002 1
1 919 . 1 1 1 A 86 86 ASN C C 86 177.040 176.588 0.452 1
1 920 . 1 1 1 A 86 86 ASN CA C 86 55.510 56.154 -0.644 1
1 921 . 1 1 1 A 86 86 ASN CB C 86 38.650 38.372 0.278 1
1 922 . 1 1 1 A 86 86 ASN N N 86 115.410 118.426 -3.016 1
1 923 . 1 1 1 A 87 87 ILE H H 87 8.190 7.808 0.382 1
1 924 . 1 1 1 A 87 87 ILE HA H 87 3.960 3.976 -0.016 1
1 934 . 1 1 1 A 87 87 ILE C C 87 177.980 178.128 -0.148 1
1 935 . 1 1 1 A 87 87 ILE CA C 87 63.050 63.703 -0.653 1
1 936 . 1 1 1 A 87 87 ILE CB C 87 36.950 38.776 -1.826 1
1 940 . 1 1 1 A 87 87 ILE N N 87 120.100 117.930 2.170 1
1 941 . 1 1 1 A 88 88 LYS H H 88 8.300 9.289 -0.989 1
1 942 . 1 1 1 A 88 88 LYS HA H 88 4.160 4.059 0.101 1
1 949 . 1 1 1 A 88 88 LYS C C 88 179.730 179.353 0.377 1
1 950 . 1 1 1 A 88 88 LYS CA C 88 59.030 59.416 -0.386 1
1 951 . 1 1 1 A 88 88 LYS CB C 88 27.530 32.872 -5.342 1
1 953 . 1 1 1 A 88 88 LYS N N 88 118.760 120.162 -1.402 1
1 954 . 1 1 1 A 89 89 GLN H H 89 8.730 7.646 1.084 1
1 955 . 1 1 1 A 89 89 GLN HA H 89 4.440 4.075 0.365 1
1 958 . 1 1 1 A 89 89 GLN CA C 89 56.350 58.572 -2.222 1
1 959 . 1 1 1 A 89 89 GLN CB C 89 27.750 28.435 -0.685 1
1 961 . 1 1 1 A 89 89 GLN N N 89 122.660 119.557 3.103 1
1 978 . 1 2 2 B 2 2 GLU C C 2 176.270 176.557 -0.287 1
1 979 . 1 2 2 B 2 2 GLU CA C 2 56.070 59.035 -2.965 1
1 980 . 1 2 2 B 2 2 GLU CB C 2 29.100 29.901 -0.801 1
1 981 . 1 2 2 B 3 3 GLU HA H 3 4.650 4.400 0.250 1
1 986 . 1 2 2 B 3 3 GLU C C 3 176.270 176.888 -0.618 1
1 987 . 1 2 2 B 3 3 GLU CA C 3 53.970 57.642 -3.672 1
1 988 . 1 2 2 B 3 3 GLU CB C 3 29.200 32.399 -3.199 1
1 990 . 1 2 2 B 4 4 PRO HA H 4 4.510 4.313 0.197 1
1 997 . 1 2 2 B 4 4 PRO C C 4 181.100 177.387 3.713 1
1 998 . 1 2 2 B 4 4 PRO CA C 4 62.900 64.348 -1.448 1
1 999 . 1 2 2 B 4 4 PRO CB C 4 31.402 32.020 -0.618 1
1 1002 . 1 2 2 B 5 5 GLN H H 5 8.530 7.986 0.544 1
1 1003 . 1 2 2 B 5 5 GLN HA H 5 4.430 4.420 0.010 1
1 1007 . 1 2 2 B 5 5 GLN C C 5 176.100 175.151 0.949 1
1 1008 . 1 2 2 B 5 5 GLN CA C 5 53.450 57.490 -4.040 1
1 1009 . 1 2 2 B 5 5 GLN CB C 5 28.990 27.635 1.355 1
1 1011 . 1 2 2 B 5 5 GLN N N 5 120.510 117.431 3.079 1
1 1012 . 1 2 2 B 6 6 SER H H 6 8.330 8.521 -0.191 1
1 1013 . 1 2 2 B 6 6 SER HA H 6 4.500 4.375 0.125 1
1 1015 . 1 2 2 B 6 6 SER C C 6 173.920 174.792 -0.872 1
1 1016 . 1 2 2 B 6 6 SER CA C 6 57.860 59.176 -1.316 1
1 1017 . 1 2 2 B 6 6 SER CB C 6 63.230 63.456 -0.226 1
1 1018 . 1 2 2 B 6 6 SER N N 6 117.080 117.202 -0.122 1
1 1019 . 1 2 2 B 7 7 ASP H H 7 8.380 9.099 -0.719 1
1 1020 . 1 2 2 B 7 7 ASP HA H 7 4.960 4.518 0.442 1
1 1023 . 1 2 2 B 7 7 ASP C C 7 174.780 176.442 -1.662 1
1 1024 . 1 2 2 B 7 7 ASP CA C 7 51.960 57.105 -5.145 1
1 1025 . 1 2 2 B 7 7 ASP CB C 7 40.850 41.233 -0.383 1
1 1026 . 1 2 2 B 7 7 ASP N N 7 123.030 125.433 -2.403 1
1 1027 . 1 2 2 B 8 8 PRO HA H 8 4.450 4.330 0.120 1
1 1034 . 1 2 2 B 8 8 PRO C C 8 177.080 177.730 -0.650 1
1 1035 . 1 2 2 B 8 8 PRO CA C 8 63.520 65.647 -2.127 1
1 1036 . 1 2 2 B 8 8 PRO CB C 8 31.612 30.803 0.809 1
1 1039 . 1 2 2 B 9 9 SER H H 9 8.520 8.326 0.194 1
1 1040 . 1 2 2 B 9 9 SER HA H 9 4.450 4.618 -0.168 1
1 1042 . 1 2 2 B 9 9 SER C C 9 174.420 174.562 -0.142 1
1 1043 . 1 2 2 B 9 9 SER CA C 9 58.590 59.241 -0.651 1
1 1044 . 1 2 2 B 9 9 SER CB C 9 63.330 63.993 -0.663 1
1 1045 . 1 2 2 B 9 9 SER N N 9 116.010 111.950 4.060 1
1 1046 . 1 2 2 B 10 10 VAL H H 10 7.771 7.611 0.160 1
1 1047 . 1 2 2 B 10 10 VAL HA H 10 4.200 4.093 0.107 1
1 1055 . 1 2 2 B 10 10 VAL C C 10 174.430 174.706 -0.276 1
1 1056 . 1 2 2 B 10 10 VAL CA C 10 61.330 62.134 -0.804 1
1 1057 . 1 2 2 B 10 10 VAL CB C 10 32.340 30.313 2.027 1
1 1060 . 1 2 2 B 10 10 VAL N N 10 121.350 120.272 1.078 1
1 1061 . 1 2 2 B 11 11 GLU H H 11 8.000 8.569 -0.569 1
1 1062 . 1 2 2 B 11 11 GLU HA H 11 4.660 4.805 -0.145 1
1 1067 . 1 2 2 B 11 11 GLU C C 11 173.740 174.523 -0.783 1
1 1068 . 1 2 2 B 11 11 GLU CA C 11 53.130 52.919 0.211 1
1 1069 . 1 2 2 B 11 11 GLU CB C 11 29.826 30.507 -0.681 1
1 1071 . 1 2 2 B 11 11 GLU N N 11 125.070 127.035 -1.965 1
1 1072 . 1 2 2 B 12 12 PRO HA H 12 4.520 4.417 0.103 1
1 1079 . 1 2 2 B 12 12 PRO CA C 12 63.570 63.232 0.338 1
1 1080 . 1 2 2 B 12 12 PRO CB C 12 31.350 31.682 -0.332 1
1 1083 . 1 2 2 B 13 13 PRO HA H 13 4.510 4.507 0.003 1
1 1090 . 1 2 2 B 13 13 PRO C C 13 175.980 177.276 -1.296 1
1 1091 . 1 2 2 B 13 13 PRO CB C 13 31.720 32.277 -0.557 1
1 1094 . 1 2 2 B 14 14 LEU H H 14 7.900 8.920 -1.020 1
1 1095 . 1 2 2 B 14 14 LEU HA H 14 4.480 4.471 0.009 1
1 1101 . 1 2 2 B 14 14 LEU C C 14 177.260 177.123 0.137 1
1 1102 . 1 2 2 B 14 14 LEU CA C 14 52.290 54.649 -2.359 1
1 1103 . 1 2 2 B 14 14 LEU CB C 14 41.270 42.420 -1.150 1
1 1106 . 1 2 2 B 14 14 LEU N N 14 120.860 121.949 -1.089 1
1 1107 . 1 2 2 B 15 15 SER H H 15 8.620 8.398 0.222 1
1 1108 . 1 2 2 B 15 15 SER HA H 15 4.510 4.530 -0.020 1
1 1111 . 1 2 2 B 15 15 SER C C 15 175.040 174.554 0.486 1
1 1112 . 1 2 2 B 15 15 SER CA C 15 57.330 60.480 -3.150 1
1 1113 . 1 2 2 B 15 15 SER CB C 15 63.960 61.582 2.378 1
1 1114 . 1 2 2 B 15 15 SER N N 15 117.360 113.771 3.589 1
1 1115 . 1 2 2 B 16 16 GLN H H 16 8.700 8.094 0.606 1
1 1116 . 1 2 2 B 16 16 GLN HA H 16 4.400 4.954 -0.554 1
1 1120 . 1 2 2 B 16 16 GLN C C 16 176.280 176.548 -0.268 1
1 1121 . 1 2 2 B 16 16 GLN CA C 16 56.170 55.223 0.947 1
1 1122 . 1 2 2 B 16 16 GLN CB C 16 29.310 29.611 -0.301 1
1 1124 . 1 2 2 B 16 16 GLN N N 16 122.480 118.693 3.787 1
1 1125 . 1 2 2 B 18 18 THR H H 18 7.860 8.119 -0.259 1
1 1126 . 1 2 2 B 18 18 THR HA H 18 4.080 3.947 0.133 1
1 1131 . 1 2 2 B 18 18 THR C C 18 175.900 176.372 -0.472 1
1 1132 . 1 2 2 B 18 18 THR CA C 18 66.280 66.563 -0.283 1
1 1133 . 1 2 2 B 18 18 THR CB C 18 67.550 68.703 -1.153 1
1 1135 . 1 2 2 B 18 18 THR N N 18 116.790 115.404 1.386 1
1 1136 . 1 2 2 B 19 19 PHE H H 19 8.640 8.463 0.177 1
1 1137 . 1 2 2 B 19 19 PHE HA H 19 4.340 4.364 -0.024 1
1 1140 . 1 2 2 B 19 19 PHE C C 19 176.340 178.342 -2.002 1
1 1141 . 1 2 2 B 19 19 PHE CA C 19 59.680 61.445 -1.765 1
1 1142 . 1 2 2 B 19 19 PHE CB C 19 38.070 39.184 -1.114 1
1 1143 . 1 2 2 B 19 19 PHE N N 19 120.710 120.549 0.161 1
1 1144 . 1 2 2 B 20 20 SER H H 20 8.260 8.887 -0.627 1
1 1145 . 1 2 2 B 20 20 SER C C 20 176.100 176.676 -0.576 1
1 1146 . 1 2 2 B 20 20 SER CA C 20 61.280 61.749 -0.469 1
1 1147 . 1 2 2 B 20 20 SER CB C 20 61.980 63.257 -1.277 1
1 1148 . 1 2 2 B 20 20 SER N N 20 114.000 114.550 -0.550 1
1 1149 . 1 2 2 B 21 21 ASP H H 21 7.660 7.995 -0.335 1
1 1150 . 1 2 2 B 21 21 ASP HA H 21 4.520 4.303 0.217 1
1 1153 . 1 2 2 B 21 21 ASP C C 21 177.890 178.777 -0.887 1
1 1154 . 1 2 2 B 21 21 ASP CA C 21 56.070 57.228 -1.158 1
1 1155 . 1 2 2 B 21 21 ASP CB C 21 40.020 40.390 -0.370 1
1 1156 . 1 2 2 B 21 21 ASP N N 21 120.570 121.105 -0.535 1
1 1157 . 1 2 2 B 22 22 LEU H H 22 7.990 8.001 -0.011 1
1 1158 . 1 2 2 B 22 22 LEU HA H 22 3.940 3.994 -0.054 1
1 1165 . 1 2 2 B 22 22 LEU C C 22 178.390 179.060 -0.670 1
1 1166 . 1 2 2 B 22 22 LEU CA C 22 57.440 58.275 -0.835 1
1 1167 . 1 2 2 B 22 22 LEU CB C 22 41.270 41.832 -0.562 1
1 1170 . 1 2 2 B 22 22 LEU N N 22 120.860 119.590 1.270 1
1 1171 . 1 2 2 B 23 23 TRP H H 23 8.920 8.019 0.901 1
1 1172 . 1 2 2 B 23 23 TRP HA H 23 4.200 4.630 -0.430 1
1 1175 . 1 2 2 B 23 23 TRP C C 23 178.090 177.142 0.948 1
1 1176 . 1 2 2 B 23 23 TRP CA C 23 59.310 58.495 0.815 1
1 1177 . 1 2 2 B 23 23 TRP CB C 23 28.550 29.033 -0.483 1
1 1178 . 1 2 2 B 23 23 TRP N N 23 119.580 116.606 2.974 1
1 1179 . 1 2 2 B 24 24 LYS H H 24 7.380 6.838 0.542 1
1 1180 . 1 2 2 B 24 24 LYS HA H 24 4.090 3.739 0.351 1
1 1189 . 1 2 2 B 24 24 LYS C C 24 177.360 177.466 -0.106 1
1 1190 . 1 2 2 B 24 24 LYS CA C 24 57.750 56.663 1.087 1
1 1191 . 1 2 2 B 24 24 LYS CB C 24 31.980 32.303 -0.323 1
1 1195 . 1 2 2 B 24 24 LYS N N 24 116.010 118.272 -2.262 1
1 1196 . 1 2 2 B 25 25 LEU H H 25 7.700 7.527 0.173 1
1 1197 . 1 2 2 B 25 25 LEU HA H 25 4.330 4.521 -0.191 1
1 1207 . 1 2 2 B 25 25 LEU C C 25 177.290 176.183 1.107 1
1 1208 . 1 2 2 B 25 25 LEU CA C 25 54.920 54.099 0.821 1
1 1209 . 1 2 2 B 25 25 LEU CB C 25 42.220 41.438 0.782 1
1 1213 . 1 2 2 B 25 25 LEU N N 25 118.160 117.104 1.056 1
1 1214 . 1 2 2 B 26 26 LEU H H 26 7.350 7.269 0.081 1
1 1215 . 1 2 2 B 26 26 LEU HA H 26 4.540 4.526 0.014 1
1 1225 . 1 2 2 B 26 26 LEU C C 26 175.090 176.943 -1.853 1
1 1226 . 1 2 2 B 26 26 LEU CA C 26 53.130 53.132 -0.002 1
1 1227 . 1 2 2 B 26 26 LEU CB C 26 40.650 42.096 -1.446 1
1 1231 . 1 2 2 B 26 26 LEU N N 26 120.260 119.194 1.066 1
1 1232 . 1 2 2 B 27 27 PRO HA H 27 4.550 4.428 0.122 1
1 1239 . 1 2 2 B 27 27 PRO C C 27 177.410 176.379 1.031 1
1 1240 . 1 2 2 B 27 27 PRO CA C 27 62.420 64.469 -2.049 1
1 1241 . 1 2 2 B 27 27 PRO CB C 27 31.080 32.025 -0.945 1
1 1244 . 1 2 2 B 28 28 GLU H H 28 8.670 7.710 0.960 1
1 1245 . 1 2 2 B 28 28 GLU HA H 28 4.210 4.486 -0.276 1
1 1250 . 1 2 2 B 28 28 GLU C C 28 176.540 174.925 1.615 1
1 1251 . 1 2 2 B 28 28 GLU CA C 28 57.020 56.161 0.859 1
1 1252 . 1 2 2 B 28 28 GLU CB C 28 28.980 32.903 -3.923 1
1 1254 . 1 2 2 B 28 28 GLU N N 28 119.490 116.183 3.307 1
1 1255 . 1 2 2 B 29 29 ASN H H 29 8.220 8.634 -0.414 1
1 1256 . 1 2 2 B 29 29 ASN HA H 29 4.720 4.616 0.104 1
1 1259 . 1 2 2 B 29 29 ASN C C 29 174.980 175.077 -0.097 1
1 1260 . 1 2 2 B 29 29 ASN CA C 29 53.130 53.774 -0.644 1
1 1261 . 1 2 2 B 29 29 ASN CB C 29 38.350 38.573 -0.223 1
1 1262 . 1 2 2 B 29 29 ASN N N 29 118.090 124.792 -6.702 1
1 1263 . 1 2 2 B 30 30 ASN H H 30 8.260 8.177 0.083 1
1 1264 . 1 2 2 B 30 30 ASN HA H 30 4.740 4.631 0.109 1
1 1267 . 1 2 2 B 30 30 ASN C C 30 175.120 175.254 -0.134 1
1 1268 . 1 2 2 B 30 30 ASN CA C 30 53.230 54.367 -1.137 1
1 1269 . 1 2 2 B 30 30 ASN CB C 30 38.550 39.065 -0.515 1
1 1270 . 1 2 2 B 30 30 ASN N N 30 118.720 124.149 -5.429 1
1 1271 . 1 2 2 B 31 31 VAL H H 31 8.010 8.844 -0.834 1
1 1272 . 1 2 2 B 31 31 VAL HA H 31 4.150 4.454 -0.304 1
1 1277 . 1 2 2 B 31 31 VAL C C 31 175.990 175.641 0.349 1
1 1278 . 1 2 2 B 31 31 VAL CA C 31 62.270 61.844 0.426 1
1 1279 . 1 2 2 B 31 31 VAL CB C 31 31.820 33.447 -1.627 1
1 1281 . 1 2 2 B 31 31 VAL N N 31 118.920 121.962 -3.042 1
1 1282 . 1 2 2 B 32 32 LEU H H 32 8.190 8.482 -0.292 1
1 1283 . 1 2 2 B 32 32 LEU HA H 32 4.420 4.454 -0.034 1
1 1292 . 1 2 2 B 32 32 LEU C C 32 176.960 176.462 0.498 1
1 1293 . 1 2 2 B 32 32 LEU CA C 32 54.490 54.544 -0.054 1
1 1294 . 1 2 2 B 32 32 LEU CB C 32 41.800 42.031 -0.231 1
1 1298 . 1 2 2 B 32 32 LEU N N 32 123.760 127.067 -3.307 1
1 1299 . 1 2 2 B 33 33 SER H H 33 7.920 7.445 0.475 1
1 1300 . 1 2 2 B 33 33 SER HA H 33 4.790 4.324 0.466 1
1 1303 . 1 2 2 B 33 33 SER C C 33 172.710 173.495 -0.785 1
1 1304 . 1 2 2 B 33 33 SER CA C 33 55.970 56.972 -1.002 1
1 1305 . 1 2 2 B 33 33 SER CB C 33 63.020 63.509 -0.489 1
1 1306 . 1 2 2 B 33 33 SER N N 33 117.150 117.147 0.003 1
1 1307 . 1 2 2 B 34 34 PRO HA H 34 4.510 4.558 -0.048 1
1 1314 . 1 2 2 B 34 34 PRO C C 34 176.750 176.074 0.676 1
1 1315 . 1 2 2 B 34 34 PRO CA C 34 62.690 63.015 -0.325 1
1 1316 . 1 2 2 B 34 34 PRO CB C 34 31.420 32.118 -0.698 1
1 1319 . 1 2 2 B 35 35 LEU H H 35 8.200 8.502 -0.302 1
1 1320 . 1 2 2 B 35 35 LEU HA H 35 4.620 4.831 -0.211 1
1 1326 . 1 2 2 B 35 35 LEU C C 35 175.560 175.187 0.373 1
1 1327 . 1 2 2 B 35 35 LEU CA C 35 52.710 52.474 0.236 1
1 1328 . 1 2 2 B 35 35 LEU CB C 35 41.280 42.306 -1.026 1
1 1331 . 1 2 2 B 35 35 LEU N N 35 123.000 123.336 -0.336 1
1 1332 . 1 2 2 B 36 36 PRO HA H 36 4.850 4.494 0.356 1
1 1339 . 1 2 2 B 36 36 PRO C C 36 176.970 176.861 0.109 1
1 1340 . 1 2 2 B 36 36 PRO CA C 36 62.690 62.688 0.002 1
1 1341 . 1 2 2 B 36 36 PRO CB C 36 31.420 32.206 -0.786 1
1 1344 . 1 2 2 B 37 37 SER H H 37 8.280 8.495 -0.215 1
1 1345 . 1 2 2 B 37 37 SER HA H 37 4.520 4.271 0.249 1
1 1347 . 1 2 2 B 37 37 SER C C 37 174.580 174.345 0.235 1
1 1348 . 1 2 2 B 37 37 SER CA C 37 55.870 59.944 -4.074 1
1 1349 . 1 2 2 B 37 37 SER CB C 37 63.360 62.935 0.425 1
1 1350 . 1 2 2 B 37 37 SER N N 37 115.170 118.510 -3.340 1
1 1351 . 1 2 2 B 38 38 GLN H H 38 8.310 8.982 -0.672 1
1 1352 . 1 2 2 B 38 38 GLN HA H 38 4.410 4.403 0.007 1
1 1356 . 1 2 2 B 38 38 GLN C C 38 174.650 176.875 -2.225 1
1 1357 . 1 2 2 B 38 38 GLN CA C 38 55.550 57.331 -1.781 1
1 1358 . 1 2 2 B 38 38 GLN CB C 38 29.190 29.790 -0.600 1
1 1360 . 1 2 2 B 38 38 GLN N N 38 122.270 127.697 -5.427 1
1 1 . 2 1 1 A 2 2 THR C C 2 174.280 175.168 -0.888 1
1 2 . 2 1 1 A 2 2 THR CA C 2 61.820 64.609 -2.789 1
1 3 . 2 1 1 A 2 2 THR CB C 2 69.660 68.743 0.917 1
1 4 . 2 1 1 A 3 3 GLN H H 3 8.502 7.735 0.767 1
1 5 . 2 1 1 A 3 3 GLN HA H 3 4.485 4.858 -0.373 1
1 9 . 2 1 1 A 3 3 GLN C C 3 175.680 175.175 0.505 1
1 10 . 2 1 1 A 3 3 GLN CA C 3 55.490 55.559 -0.069 1
1 11 . 2 1 1 A 3 3 GLN CB C 3 28.570 30.363 -1.793 1
1 13 . 2 1 1 A 3 3 GLN N N 3 123.346 121.705 1.641 1
1 14 . 2 1 1 A 4 4 SER H H 4 8.586 8.836 -0.250 1
1 15 . 2 1 1 A 4 4 SER HA H 4 4.860 4.911 -0.051 1
1 18 . 2 1 1 A 4 4 SER C C 4 173.240 173.899 -0.659 1
1 19 . 2 1 1 A 4 4 SER CA C 4 56.280 56.505 -0.225 1
1 20 . 2 1 1 A 4 4 SER CB C 4 63.080 66.639 -3.559 1
1 21 . 2 1 1 A 4 4 SER N N 4 119.430 117.289 2.141 1
1 22 . 2 1 1 A 5 5 PRO HA H 5 4.490 4.206 0.284 1
1 29 . 2 1 1 A 5 5 PRO C C 5 178.020 178.400 -0.380 1
1 30 . 2 1 1 A 5 5 PRO CA C 5 63.740 65.299 -1.559 1
1 31 . 2 1 1 A 5 5 PRO CB C 5 30.120 31.697 -1.577 1
1 34 . 2 1 1 A 6 6 GLY H H 6 8.420 8.452 -0.032 1
1 35 . 2 1 1 A 6 6 GLY HA3 H 6 3.980 3.865 0.115 1
1 36 . 2 1 1 A 6 6 GLY C C 6 174.600 175.223 -0.623 1
1 37 . 2 1 1 A 6 6 GLY CA C 6 45.580 46.719 -1.139 1
1 38 . 2 1 1 A 6 6 GLY N N 6 108.250 105.394 2.856 1
1 39 . 2 1 1 A 7 7 ASP H H 7 8.080 8.360 -0.280 1
1 40 . 2 1 1 A 7 7 ASP HA H 7 4.660 4.469 0.191 1
1 42 . 2 1 1 A 7 7 ASP C C 7 177.440 178.305 -0.865 1
1 43 . 2 1 1 A 7 7 ASP CA C 7 54.960 56.349 -1.389 1
1 44 . 2 1 1 A 7 7 ASP CB C 7 40.740 40.730 0.010 1
1 45 . 2 1 1 A 7 7 ASP N N 7 121.210 121.964 -0.754 1
1 46 . 2 1 1 A 8 8 SER H H 8 8.363 7.994 0.369 1
1 47 . 2 1 1 A 8 8 SER HA H 8 4.330 4.202 0.128 1
1 49 . 2 1 1 A 8 8 SER C C 8 177.520 177.250 0.270 1
1 50 . 2 1 1 A 8 8 SER CA C 8 59.990 61.216 -1.226 1
1 51 . 2 1 1 A 8 8 SER CB C 8 62.540 63.101 -0.561 1
1 52 . 2 1 1 A 8 8 SER N N 8 117.020 115.029 1.991 1
1 53 . 2 1 1 A 9 9 ARG H H 9 8.270 8.409 -0.139 1
1 54 . 2 1 1 A 9 9 ARG HA H 9 4.820 4.161 0.659 1
1 59 . 2 1 1 A 9 9 ARG C C 9 177.800 178.840 -1.040 1
1 60 . 2 1 1 A 9 9 ARG CA C 9 58.170 58.949 -0.779 1
1 61 . 2 1 1 A 9 9 ARG CB C 9 29.490 29.783 -0.293 1
1 64 . 2 1 1 A 9 9 ARG N N 9 123.050 121.818 1.232 1
1 65 . 2 1 1 A 10 10 ARG H H 10 8.030 7.428 0.602 1
1 66 . 2 1 1 A 10 10 ARG HA H 10 4.100 4.034 0.066 1
1 73 . 2 1 1 A 10 10 ARG C C 10 177.900 178.738 -0.838 1
1 74 . 2 1 1 A 10 10 ARG CA C 10 57.100 58.950 -1.850 1
1 75 . 2 1 1 A 10 10 ARG CB C 10 29.490 29.850 -0.360 1
1 78 . 2 1 1 A 10 10 ARG N N 10 119.730 118.963 0.767 1
1 79 . 2 1 1 A 11 11 LEU H H 11 8.100 8.416 -0.316 1
1 80 . 2 1 1 A 11 11 LEU HA H 11 4.220 4.086 0.134 1
1 87 . 2 1 1 A 11 11 LEU C C 11 178.600 179.253 -0.653 1
1 88 . 2 1 1 A 11 11 LEU CA C 11 57.100 57.091 0.009 1
1 89 . 2 1 1 A 11 11 LEU CB C 11 41.270 41.663 -0.393 1
1 92 . 2 1 1 A 11 11 LEU N N 11 120.770 120.440 0.330 1
1 93 . 2 1 1 A 12 12 SER H H 12 8.052 8.423 -0.371 1
1 94 . 2 1 1 A 12 12 SER HA H 12 4.250 4.149 0.101 1
1 97 . 2 1 1 A 12 12 SER C C 12 178.790 176.460 2.330 1
1 98 . 2 1 1 A 12 12 SER CA C 12 60.960 61.494 -0.534 1
1 99 . 2 1 1 A 12 12 SER CB C 12 62.580 62.916 -0.336 1
1 100 . 2 1 1 A 12 12 SER N N 12 115.760 114.119 1.641 1
1 101 . 2 1 1 A 13 13 ILE H H 13 8.000 7.756 0.244 1
1 102 . 2 1 1 A 13 13 ILE HA H 13 3.730 3.836 -0.106 1
1 112 . 2 1 1 A 13 13 ILE C C 13 179.740 177.914 1.826 1
1 113 . 2 1 1 A 13 13 ILE CA C 13 64.920 64.398 0.522 1
1 114 . 2 1 1 A 13 13 ILE CB C 13 37.200 37.128 0.072 1
1 118 . 2 1 1 A 13 13 ILE N N 13 123.290 118.768 4.522 1
1 119 . 2 1 1 A 14 14 GLN H H 14 8.110 8.025 0.085 1
1 120 . 2 1 1 A 14 14 GLN HA H 14 4.030 3.910 0.120 1
1 124 . 2 1 1 A 14 14 GLN C C 14 178.850 178.669 0.181 1
1 125 . 2 1 1 A 14 14 GLN CA C 14 59.170 59.269 -0.099 1
1 126 . 2 1 1 A 14 14 GLN CB C 14 27.810 28.272 -0.462 1
1 128 . 2 1 1 A 14 14 GLN N N 14 119.020 121.003 -1.983 1
1 129 . 2 1 1 A 15 15 ARG H H 15 8.360 7.801 0.559 1
1 130 . 2 1 1 A 15 15 ARG HA H 15 3.980 3.969 0.011 1
1 137 . 2 1 1 A 15 15 ARG C C 15 177.020 178.802 -1.782 1
1 138 . 2 1 1 A 15 15 ARG CA C 15 59.030 59.112 -0.082 1
1 139 . 2 1 1 A 15 15 ARG CB C 15 29.460 30.114 -0.654 1
1 142 . 2 1 1 A 15 15 ARG N N 15 118.820 119.298 -0.478 1
1 143 . 2 1 1 A 16 16 ALA H H 16 8.000 7.738 0.262 1
1 144 . 2 1 1 A 16 16 ALA HA H 16 4.230 4.064 0.166 1
1 148 . 2 1 1 A 16 16 ALA C C 16 179.750 179.984 -0.234 1
1 149 . 2 1 1 A 16 16 ALA CA C 16 55.190 54.989 0.201 1
1 150 . 2 1 1 A 16 16 ALA CB C 16 18.020 18.130 -0.110 1
1 151 . 2 1 1 A 16 16 ALA N N 16 123.800 121.681 2.119 1
1 152 . 2 1 1 A 17 17 ILE H H 17 8.490 9.095 -0.605 1
1 153 . 2 1 1 A 17 17 ILE HA H 17 3.760 3.529 0.231 1
1 163 . 2 1 1 A 17 17 ILE C C 17 178.300 178.129 0.171 1
1 164 . 2 1 1 A 17 17 ILE CA C 17 64.710 65.544 -0.834 1
1 165 . 2 1 1 A 17 17 ILE CB C 17 36.560 37.484 -0.924 1
1 169 . 2 1 1 A 17 17 ILE N N 17 118.260 118.964 -0.704 1
1 170 . 2 1 1 A 18 18 GLN H H 18 8.230 9.178 -0.948 1
1 171 . 2 1 1 A 18 18 GLN HA H 18 4.110 3.954 0.156 1
1 175 . 2 1 1 A 18 18 GLN C C 18 178.950 178.046 0.904 1
1 176 . 2 1 1 A 18 18 GLN CA C 18 59.030 58.902 0.128 1
1 177 . 2 1 1 A 18 18 GLN CB C 18 27.540 28.105 -0.565 1
1 179 . 2 1 1 A 18 18 GLN N N 18 118.800 118.741 0.059 1
1 180 . 2 1 1 A 19 19 SER H H 19 8.230 7.689 0.541 1
1 181 . 2 1 1 A 19 19 SER HA H 19 4.430 4.499 -0.069 1
1 184 . 2 1 1 A 19 19 SER C C 19 176.120 177.049 -0.929 1
1 185 . 2 1 1 A 19 19 SER CA C 19 61.600 61.247 0.353 1
1 186 . 2 1 1 A 19 19 SER CB C 19 62.580 63.037 -0.457 1
1 187 . 2 1 1 A 19 19 SER N N 19 116.040 115.299 0.741 1
1 188 . 2 1 1 A 20 20 LEU H H 20 8.250 9.271 -1.021 1
1 189 . 2 1 1 A 20 20 LEU HA H 20 4.090 4.084 0.006 1
1 199 . 2 1 1 A 20 20 LEU C C 20 177.180 178.541 -1.361 1
1 200 . 2 1 1 A 20 20 LEU CA C 20 58.390 57.998 0.392 1
1 201 . 2 1 1 A 20 20 LEU CB C 20 41.810 41.755 0.055 1
1 205 . 2 1 1 A 20 20 LEU N N 20 125.460 123.228 2.232 1
1 206 . 2 1 1 A 21 21 VAL H H 21 8.520 9.293 -0.773 1
1 207 . 2 1 1 A 21 21 VAL HA H 21 3.340 3.579 -0.239 1
1 212 . 2 1 1 A 21 21 VAL C C 21 178.430 178.272 0.158 1
1 213 . 2 1 1 A 21 21 VAL CA C 21 66.510 66.263 0.247 1
1 214 . 2 1 1 A 21 21 VAL CB C 21 31.270 31.402 -0.132 1
1 217 . 2 1 1 A 21 21 VAL N N 21 118.590 118.853 -0.263 1
1 218 . 2 1 1 A 22 22 HIS H H 22 7.950 7.736 0.214 1
1 219 . 2 1 1 A 22 22 HIS HA H 22 4.260 4.182 0.078 1
1 222 . 2 1 1 A 22 22 HIS C C 22 178.020 177.788 0.232 1
1 223 . 2 1 1 A 22 22 HIS CA C 22 59.770 59.197 0.573 1
1 224 . 2 1 1 A 22 22 HIS CB C 22 27.230 29.965 -2.735 1
1 225 . 2 1 1 A 22 22 HIS N N 22 115.760 119.560 -3.800 1
1 226 . 2 1 1 A 23 23 ALA H H 23 8.580 9.436 -0.856 1
1 227 . 2 1 1 A 23 23 ALA HA H 23 4.190 3.908 0.282 1
1 231 . 2 1 1 A 23 23 ALA C C 23 179.210 178.798 0.412 1
1 232 . 2 1 1 A 23 23 ALA CA C 23 54.420 54.446 -0.026 1
1 233 . 2 1 1 A 23 23 ALA CB C 23 19.010 18.114 0.896 1
1 234 . 2 1 1 A 23 23 ALA N N 23 121.190 120.807 0.383 1
1 235 . 2 1 1 A 24 24 ALA H H 24 8.240 7.808 0.432 1
1 236 . 2 1 1 A 24 24 ALA HA H 24 4.110 4.184 -0.074 1
1 240 . 2 1 1 A 24 24 ALA C C 24 177.610 178.216 -0.606 1
1 241 . 2 1 1 A 24 24 ALA CA C 24 53.540 52.605 0.935 1
1 242 . 2 1 1 A 24 24 ALA CB C 24 18.060 19.195 -1.135 1
1 243 . 2 1 1 A 24 24 ALA N N 24 116.530 118.834 -2.304 1
1 244 . 2 1 1 A 25 25 GLN H H 25 7.230 7.861 -0.631 1
1 245 . 2 1 1 A 25 25 GLN HA H 25 4.540 4.432 0.108 1
1 250 . 2 1 1 A 25 25 GLN C C 25 174.530 176.260 -1.730 1
1 251 . 2 1 1 A 25 25 GLN CA C 25 54.400 55.991 -1.591 1
1 252 . 2 1 1 A 25 25 GLN CB C 25 30.090 31.673 -1.583 1
1 254 . 2 1 1 A 25 25 GLN N N 25 112.050 114.450 -2.400 1
1 255 . 2 1 1 A 26 26 CYS H H 26 7.320 8.396 -1.076 1
1 256 . 2 1 1 A 26 26 CYS HA H 26 3.920 4.438 -0.518 1
1 259 . 2 1 1 A 26 26 CYS C C 26 176.230 174.024 2.206 1
1 260 . 2 1 1 A 26 26 CYS CA C 26 60.480 57.561 2.919 1
1 261 . 2 1 1 A 26 26 CYS CB C 26 28.470 26.719 1.751 1
1 262 . 2 1 1 A 26 26 CYS N N 26 124.310 119.903 4.407 1
1 263 . 2 1 1 A 27 27 ARG H H 27 8.840 8.622 0.218 1
1 264 . 2 1 1 A 27 27 ARG HA H 27 4.650 4.322 0.328 1
1 271 . 2 1 1 A 27 27 ARG C C 27 175.270 176.161 -0.891 1
1 272 . 2 1 1 A 27 27 ARG CA C 27 54.320 54.985 -0.665 1
1 273 . 2 1 1 A 27 27 ARG CB C 27 29.490 28.387 1.103 1
1 276 . 2 1 1 A 27 27 ARG N N 27 129.620 128.194 1.426 1
1 277 . 2 1 1 A 28 28 ASN H H 28 7.930 7.823 0.107 1
1 278 . 2 1 1 A 28 28 ASN HA H 28 4.890 4.445 0.445 1
1 281 . 2 1 1 A 28 28 ASN C C 28 175.240 175.125 0.115 1
1 282 . 2 1 1 A 28 28 ASN CA C 28 51.540 56.149 -4.609 1
1 283 . 2 1 1 A 28 28 ASN CB C 28 38.460 39.229 -0.769 1
1 284 . 2 1 1 A 28 28 ASN N N 28 120.580 123.544 -2.964 1
1 285 . 2 1 1 A 29 29 ALA H H 29 9.100 7.888 1.212 1
1 286 . 2 1 1 A 29 29 ALA HA H 29 4.120 3.961 0.159 1
1 290 . 2 1 1 A 29 29 ALA C C 29 178.010 177.388 0.622 1
1 291 . 2 1 1 A 29 29 ALA CA C 29 54.040 55.114 -1.074 1
1 292 . 2 1 1 A 29 29 ALA CB C 29 18.020 16.939 1.081 1
1 293 . 2 1 1 A 29 29 ALA N N 29 130.290 120.628 9.662 1
1 294 . 2 1 1 A 30 30 ASN H H 30 8.080 8.261 -0.181 1
1 295 . 2 1 1 A 30 30 ASN HA H 30 4.900 4.864 0.036 1
1 298 . 2 1 1 A 30 30 ASN C C 30 174.150 174.831 -0.681 1
1 299 . 2 1 1 A 30 30 ASN CA C 30 51.490 53.238 -1.748 1
1 300 . 2 1 1 A 30 30 ASN CB C 30 38.200 38.906 -0.706 1
1 301 . 2 1 1 A 30 30 ASN N N 30 114.290 114.755 -0.465 1
1 302 . 2 1 1 A 31 31 CYS H H 31 7.170 7.444 -0.274 1
1 303 . 2 1 1 A 31 31 CYS HA H 31 4.079 4.308 -0.229 1
1 306 . 2 1 1 A 31 31 CYS C C 31 176.800 176.394 0.406 1
1 307 . 2 1 1 A 31 31 CYS CA C 31 61.430 60.089 1.341 1
1 308 . 2 1 1 A 31 31 CYS CB C 31 29.428 28.205 1.223 1
1 309 . 2 1 1 A 31 31 CYS N N 31 123.080 120.744 2.336 1
1 310 . 2 1 1 A 32 32 SER H H 32 8.740 8.878 -0.138 1
1 311 . 2 1 1 A 32 32 SER HA H 32 4.150 4.485 -0.335 1
1 314 . 2 1 1 A 32 32 SER C C 32 174.850 174.024 0.826 1
1 315 . 2 1 1 A 32 32 SER CA C 32 57.570 58.965 -1.395 1
1 316 . 2 1 1 A 32 32 SER CB C 32 63.540 63.579 -0.039 1
1 317 . 2 1 1 A 32 32 SER N N 32 124.210 122.003 2.207 1
1 318 . 2 1 1 A 33 33 LEU H H 33 8.520 7.627 0.893 1
1 319 . 2 1 1 A 33 33 LEU HA H 33 4.570 4.707 -0.137 1
1 329 . 2 1 1 A 33 33 LEU C C 33 176.850 175.852 0.998 1
1 330 . 2 1 1 A 33 33 LEU CA C 33 54.080 51.296 2.784 1
1 331 . 2 1 1 A 33 33 LEU CB C 33 40.420 41.944 -1.524 1
1 335 . 2 1 1 A 33 33 LEU N N 33 128.730 124.420 4.310 1
1 336 . 2 1 1 A 34 34 PRO HA H 34 4.360 4.354 0.006 1
1 343 . 2 1 1 A 34 34 PRO C C 34 178.380 178.131 0.249 1
1 344 . 2 1 1 A 34 34 PRO CA C 34 64.970 65.027 -0.057 1
1 345 . 2 1 1 A 34 34 PRO CB C 34 31.230 31.951 -0.721 1
1 348 . 2 1 1 A 35 35 SER H H 35 8.300 8.534 -0.234 1
1 349 . 2 1 1 A 35 35 SER HA H 35 4.320 4.234 0.086 1
1 352 . 2 1 1 A 35 35 SER C C 35 178.350 176.586 1.764 1
1 353 . 2 1 1 A 35 35 SER CA C 35 59.953 61.422 -1.469 1
1 354 . 2 1 1 A 35 35 SER CB C 35 62.470 62.834 -0.364 1
1 355 . 2 1 1 A 35 35 SER N N 35 111.680 113.320 -1.640 1
1 356 . 2 1 1 A 36 36 CYS H H 36 7.500 8.986 -1.486 1
1 357 . 2 1 1 A 36 36 CYS HA H 36 4.242 4.135 0.107 1
1 360 . 2 1 1 A 36 36 CYS C C 36 176.630 177.116 -0.486 1
1 361 . 2 1 1 A 36 36 CYS CA C 36 63.710 63.617 0.093 1
1 362 . 2 1 1 A 36 36 CYS CB C 36 29.170 27.506 1.664 1
1 363 . 2 1 1 A 36 36 CYS N N 36 125.580 120.168 5.412 1
1 364 . 2 1 1 A 37 37 GLN H H 37 8.170 7.787 0.383 1
1 365 . 2 1 1 A 37 37 GLN HA H 37 4.010 3.980 0.030 1
1 369 . 2 1 1 A 37 37 GLN C C 37 178.900 177.868 1.032 1
1 370 . 2 1 1 A 37 37 GLN CA C 37 59.580 58.691 0.889 1
1 371 . 2 1 1 A 37 37 GLN CB C 37 27.560 28.458 -0.898 1
1 373 . 2 1 1 A 37 37 GLN N N 37 116.020 120.052 -4.032 1
1 374 . 2 1 1 A 38 38 LYS H H 38 7.840 7.712 0.128 1
1 375 . 2 1 1 A 38 38 LYS HA H 38 4.079 4.161 -0.082 1
1 381 . 2 1 1 A 38 38 LYS C C 38 179.300 179.610 -0.310 1
1 382 . 2 1 1 A 38 38 LYS CA C 38 59.280 59.150 0.130 1
1 383 . 2 1 1 A 38 38 LYS CB C 38 32.120 31.945 0.175 1
1 387 . 2 1 1 A 38 38 LYS N N 38 117.000 119.988 -2.988 1
1 388 . 2 1 1 A 39 39 MET H H 39 8.270 8.294 -0.024 1
1 389 . 2 1 1 A 39 39 MET HA H 39 4.580 4.220 0.360 1
1 394 . 2 1 1 A 39 39 MET C C 39 179.710 178.867 0.843 1
1 395 . 2 1 1 A 39 39 MET CA C 39 56.330 58.664 -2.334 1
1 396 . 2 1 1 A 39 39 MET CB C 39 31.180 31.585 -0.405 1
1 398 . 2 1 1 A 39 39 MET N N 39 118.020 117.870 0.150 1
1 399 . 2 1 1 A 40 40 LYS H H 40 9.530 8.816 0.714 1
1 400 . 2 1 1 A 40 40 LYS HA H 40 3.860 4.029 -0.169 1
1 406 . 2 1 1 A 40 40 LYS C C 40 179.620 179.085 0.535 1
1 407 . 2 1 1 A 40 40 LYS CA C 40 61.360 59.954 1.406 1
1 408 . 2 1 1 A 40 40 LYS CB C 40 32.120 32.218 -0.098 1
1 412 . 2 1 1 A 40 40 LYS N N 40 122.280 119.303 2.977 1
1 413 . 2 1 1 A 41 41 ARG H H 41 7.560 7.649 -0.089 1
1 414 . 2 1 1 A 41 41 ARG HA H 41 4.200 4.137 0.063 1
1 421 . 2 1 1 A 41 41 ARG C C 41 179.650 178.891 0.759 1
1 422 . 2 1 1 A 41 41 ARG CA C 41 59.350 58.786 0.564 1
1 423 . 2 1 1 A 41 41 ARG CB C 41 29.300 29.857 -0.557 1
1 426 . 2 1 1 A 41 41 ARG N N 41 117.590 119.934 -2.344 1
1 427 . 2 1 1 A 42 42 VAL H H 42 7.570 7.479 0.091 1
1 428 . 2 1 1 A 42 42 VAL HA H 42 3.670 3.725 -0.055 1
1 436 . 2 1 1 A 42 42 VAL C C 42 177.480 178.623 -1.143 1
1 437 . 2 1 1 A 42 42 VAL CA C 42 66.420 66.197 0.223 1
1 438 . 2 1 1 A 42 42 VAL CB C 42 30.700 31.754 -1.054 1
1 441 . 2 1 1 A 42 42 VAL N N 42 121.450 119.545 1.905 1
1 442 . 2 1 1 A 43 43 VAL H H 43 8.450 8.698 -0.248 1
1 443 . 2 1 1 A 43 43 VAL HA H 43 3.540 3.670 -0.130 1
1 448 . 2 1 1 A 43 43 VAL C C 43 178.950 178.132 0.818 1
1 449 . 2 1 1 A 43 43 VAL CA C 43 66.940 66.603 0.337 1
1 450 . 2 1 1 A 43 43 VAL CB C 43 31.090 31.784 -0.694 1
1 452 . 2 1 1 A 43 43 VAL N N 43 120.380 120.737 -0.357 1
1 453 . 2 1 1 A 44 44 GLN H H 44 8.400 9.371 -0.971 1
1 454 . 2 1 1 A 44 44 GLN HA H 44 4.020 4.015 0.005 1
1 457 . 2 1 1 A 44 44 GLN C C 44 177.240 178.435 -1.195 1
1 458 . 2 1 1 A 44 44 GLN CA C 44 58.550 58.716 -0.166 1
1 459 . 2 1 1 A 44 44 GLN CB C 44 27.550 28.154 -0.604 1
1 461 . 2 1 1 A 44 44 GLN N N 44 119.280 117.850 1.430 1
1 462 . 2 1 1 A 45 45 HIS H H 45 8.070 7.998 0.072 1
1 463 . 2 1 1 A 45 45 HIS HA H 45 4.280 4.295 -0.015 1
1 465 . 2 1 1 A 45 45 HIS C C 45 177.800 177.141 0.659 1
1 466 . 2 1 1 A 45 45 HIS CA C 45 59.440 59.052 0.388 1
1 467 . 2 1 1 A 45 45 HIS CB C 45 26.760 29.990 -3.230 1
1 468 . 2 1 1 A 45 45 HIS N N 45 119.000 121.470 -2.470 1
1 469 . 2 1 1 A 46 46 THR H H 46 7.800 8.639 -0.839 1
1 470 . 2 1 1 A 46 46 THR HA H 46 3.870 3.456 0.414 1
1 475 . 2 1 1 A 46 46 THR C C 46 175.850 176.214 -0.364 1
1 476 . 2 1 1 A 46 46 THR CA C 46 65.410 66.754 -1.344 1
1 477 . 2 1 1 A 46 46 THR CB C 46 68.850 68.514 0.336 1
1 479 . 2 1 1 A 46 46 THR N N 46 110.300 115.000 -4.700 1
1 480 . 2 1 1 A 47 47 LYS H H 47 7.310 8.062 -0.752 1
1 481 . 2 1 1 A 47 47 LYS HA H 47 4.100 4.350 -0.250 1
1 488 . 2 1 1 A 47 47 LYS C C 47 177.640 179.830 -2.190 1
1 489 . 2 1 1 A 47 47 LYS CA C 47 58.310 59.190 -0.880 1
1 490 . 2 1 1 A 47 47 LYS CB C 47 31.420 32.164 -0.744 1
1 494 . 2 1 1 A 47 47 LYS N N 47 120.240 119.313 0.927 1
1 495 . 2 1 1 A 48 48 GLY H H 48 7.159 7.615 -0.456 1
1 496 . 2 1 1 A 48 48 GLY HA2 H 48 4.410 3.989 0.421 1
1 497 . 2 1 1 A 48 48 GLY HA3 H 48 3.680 4.028 -0.348 1
1 498 . 2 1 1 A 48 48 GLY C C 48 173.850 174.193 -0.343 1
1 499 . 2 1 1 A 48 48 GLY CA C 48 44.433 46.866 -2.433 1
1 500 . 2 1 1 A 48 48 GLY N N 48 103.360 106.984 -3.624 1
1 501 . 2 1 1 A 49 49 CYS H H 49 6.910 7.346 -0.436 1
1 502 . 2 1 1 A 49 49 CYS HA H 49 4.020 4.621 -0.601 1
1 505 . 2 1 1 A 49 49 CYS C C 49 176.710 174.592 2.118 1
1 506 . 2 1 1 A 49 49 CYS CA C 49 60.620 57.753 2.867 1
1 507 . 2 1 1 A 49 49 CYS CB C 49 29.260 29.386 -0.126 1
1 508 . 2 1 1 A 49 49 CYS N N 49 123.280 119.774 3.506 1
1 509 . 2 1 1 A 50 50 LYS H H 50 8.960 9.098 -0.138 1
1 510 . 2 1 1 A 50 50 LYS HA H 50 3.980 4.092 -0.112 1
1 519 . 2 1 1 A 50 50 LYS C C 50 177.580 178.782 -1.202 1
1 520 . 2 1 1 A 50 50 LYS CA C 50 56.280 58.952 -2.672 1
1 521 . 2 1 1 A 50 50 LYS CB C 50 32.150 32.655 -0.505 1
1 525 . 2 1 1 A 50 50 LYS N N 50 128.200 128.466 -0.266 1
1 526 . 2 1 1 A 51 51 ARG H H 51 8.530 8.035 0.495 1
1 527 . 2 1 1 A 51 51 ARG HA H 51 4.460 4.022 0.438 1
1 533 . 2 1 1 A 51 51 ARG C C 51 176.700 178.693 -1.993 1
1 534 . 2 1 1 A 51 51 ARG CA C 51 57.203 59.274 -2.071 1
1 535 . 2 1 1 A 51 51 ARG CB C 51 30.969 29.761 1.208 1
1 538 . 2 1 1 A 51 51 ARG N N 51 122.350 120.643 1.707 1
1 539 . 2 1 1 A 52 52 LYS H H 52 8.420 7.699 0.721 1
1 540 . 2 1 1 A 52 52 LYS HA H 52 4.470 4.112 0.358 1
1 549 . 2 1 1 A 52 52 LYS C C 52 177.300 179.373 -2.073 1
1 550 . 2 1 1 A 52 52 LYS CA C 52 57.600 58.844 -1.244 1
1 551 . 2 1 1 A 52 52 LYS CB C 52 31.627 32.294 -0.667 1
1 555 . 2 1 1 A 52 52 LYS N N 52 118.820 119.179 -0.359 1
1 556 . 2 1 1 A 53 53 THR H H 53 7.760 7.907 -0.147 1
1 557 . 2 1 1 A 53 53 THR HA H 53 4.230 4.197 0.033 1
1 562 . 2 1 1 A 53 53 THR C C 53 175.700 175.248 0.452 1
1 563 . 2 1 1 A 53 53 THR CA C 53 63.390 65.567 -2.177 1
1 564 . 2 1 1 A 53 53 THR CB C 53 68.220 68.563 -0.343 1
1 566 . 2 1 1 A 53 53 THR N N 53 112.860 117.330 -4.470 1
1 567 . 2 1 1 A 54 54 ASN H H 54 8.260 7.747 0.513 1
1 568 . 2 1 1 A 54 54 ASN HA H 54 4.110 4.816 -0.706 1
1 570 . 2 1 1 A 54 54 ASN C C 54 175.970 175.604 0.366 1
1 571 . 2 1 1 A 54 54 ASN CA C 54 53.300 53.123 0.177 1
1 572 . 2 1 1 A 54 54 ASN CB C 54 37.810 39.132 -1.322 1
1 573 . 2 1 1 A 54 54 ASN N N 54 119.690 116.502 3.188 1
1 574 . 2 1 1 A 55 55 GLY H H 55 7.960 8.646 -0.686 1
1 575 . 2 1 1 A 55 55 GLY HA2 H 55 4.010 3.935 0.075 1
1 576 . 2 1 1 A 55 55 GLY HA3 H 55 4.010 3.949 0.061 1
1 577 . 2 1 1 A 55 55 GLY C C 55 175.270 175.932 -0.662 1
1 578 . 2 1 1 A 55 55 GLY CA C 55 45.610 45.389 0.221 1
1 579 . 2 1 1 A 55 55 GLY N N 55 107.340 107.279 0.061 1
1 580 . 2 1 1 A 56 56 GLY H H 56 7.820 7.568 0.252 1
1 581 . 2 1 1 A 56 56 GLY HA2 H 56 3.970 3.860 0.110 1
1 582 . 2 1 1 A 56 56 GLY HA3 H 56 3.970 3.861 0.109 1
1 583 . 2 1 1 A 56 56 GLY C C 56 173.320 174.837 -1.517 1
1 584 . 2 1 1 A 56 56 GLY CA C 56 45.350 47.370 -2.020 1
1 585 . 2 1 1 A 56 56 GLY N N 56 107.080 107.686 -0.606 1
1 586 . 2 1 1 A 57 57 CYS H H 57 8.010 7.753 0.257 1
1 587 . 2 1 1 A 57 57 CYS HA H 57 4.870 4.608 0.262 1
1 590 . 2 1 1 A 57 57 CYS C C 57 175.610 174.545 1.065 1
1 591 . 2 1 1 A 57 57 CYS CA C 57 55.340 57.285 -1.945 1
1 592 . 2 1 1 A 57 57 CYS CB C 57 30.160 28.452 1.708 1
1 593 . 2 1 1 A 57 57 CYS N N 57 122.570 118.657 3.913 1
1 594 . 2 1 1 A 58 58 PRO HA H 58 4.320 4.264 0.056 1
1 601 . 2 1 1 A 58 58 PRO CA C 58 64.550 65.250 -0.700 1
1 602 . 2 1 1 A 58 58 PRO CB C 58 32.050 31.817 0.233 1
1 605 . 2 1 1 A 59 59 ILE H H 59 7.917 7.550 0.367 1
1 606 . 2 1 1 A 59 59 ILE HA H 59 3.550 3.833 -0.283 1
1 616 . 2 1 1 A 59 59 ILE C C 59 178.040 177.630 0.410 1
1 617 . 2 1 1 A 59 59 ILE CA C 59 64.540 64.394 0.146 1
1 618 . 2 1 1 A 59 59 ILE CB C 59 38.160 38.119 0.041 1
1 622 . 2 1 1 A 59 59 ILE N N 59 120.680 116.574 4.106 1
1 623 . 2 1 1 A 60 60 CYS H H 60 8.920 8.224 0.696 1
1 624 . 2 1 1 A 60 60 CYS HA H 60 4.105 4.082 0.023 1
1 627 . 2 1 1 A 60 60 CYS C C 60 177.540 176.819 0.721 1
1 628 . 2 1 1 A 60 60 CYS CA C 60 66.000 62.199 3.801 1
1 629 . 2 1 1 A 60 60 CYS CB C 60 28.750 26.980 1.770 1
1 630 . 2 1 1 A 60 60 CYS N N 60 123.890 120.996 2.894 1
1 631 . 2 1 1 A 61 61 LYS H H 61 8.100 8.701 -0.601 1
1 632 . 2 1 1 A 61 61 LYS HA H 61 3.920 3.888 0.032 1
1 639 . 2 1 1 A 61 61 LYS C C 61 179.030 179.099 -0.069 1
1 640 . 2 1 1 A 61 61 LYS CA C 61 59.610 59.604 0.006 1
1 641 . 2 1 1 A 61 61 LYS CB C 61 32.040 32.515 -0.475 1
1 645 . 2 1 1 A 61 61 LYS N N 61 117.130 120.769 -3.639 1
1 646 . 2 1 1 A 62 62 GLN H H 62 7.010 8.681 -1.671 1
1 647 . 2 1 1 A 62 62 GLN HA H 62 4.150 4.039 0.111 1
1 652 . 2 1 1 A 62 62 GLN C C 62 178.340 178.529 -0.189 1
1 653 . 2 1 1 A 62 62 GLN CA C 62 58.520 58.515 0.005 1
1 654 . 2 1 1 A 62 62 GLN CB C 62 27.587 28.477 -0.890 1
1 656 . 2 1 1 A 62 62 GLN N N 62 117.000 118.683 -1.683 1
1 657 . 2 1 1 A 63 63 LEU H H 63 7.980 7.831 0.149 1
1 658 . 2 1 1 A 63 63 LEU HA H 63 4.160 3.952 0.208 1
1 667 . 2 1 1 A 63 63 LEU C C 63 179.060 178.034 1.026 1
1 668 . 2 1 1 A 63 63 LEU CA C 63 57.830 58.046 -0.216 1
1 669 . 2 1 1 A 63 63 LEU CB C 63 41.270 41.065 0.205 1
1 673 . 2 1 1 A 63 63 LEU N N 63 119.730 121.480 -1.750 1
1 674 . 2 1 1 A 64 64 ILE H H 64 8.481 8.298 0.183 1
1 675 . 2 1 1 A 64 64 ILE HA H 64 3.650 3.347 0.303 1
1 685 . 2 1 1 A 64 64 ILE C C 64 179.930 177.981 1.949 1
1 686 . 2 1 1 A 64 64 ILE CA C 64 65.220 65.749 -0.529 1
1 687 . 2 1 1 A 64 64 ILE CB C 64 36.960 37.664 -0.704 1
1 691 . 2 1 1 A 64 64 ILE N N 64 120.350 119.541 0.809 1
1 692 . 2 1 1 A 65 65 ALA H H 65 7.300 7.716 -0.416 1
1 693 . 2 1 1 A 65 65 ALA HA H 65 4.200 4.005 0.195 1
1 697 . 2 1 1 A 65 65 ALA C C 65 180.010 180.020 -0.010 1
1 698 . 2 1 1 A 65 65 ALA CA C 65 54.940 55.696 -0.756 1
1 699 . 2 1 1 A 65 65 ALA CB C 65 18.010 18.607 -0.597 1
1 700 . 2 1 1 A 65 65 ALA N N 65 122.510 122.685 -0.175 1
1 701 . 2 1 1 A 66 66 LEU H H 66 8.120 8.600 -0.480 1
1 702 . 2 1 1 A 66 66 LEU HA H 66 4.100 4.296 -0.196 1
1 712 . 2 1 1 A 66 66 LEU C C 66 179.480 178.578 0.902 1
1 713 . 2 1 1 A 66 66 LEU CA C 66 57.540 57.894 -0.354 1
1 714 . 2 1 1 A 66 66 LEU CB C 66 41.940 41.306 0.634 1
1 718 . 2 1 1 A 66 66 LEU N N 66 115.490 119.984 -4.494 1
1 719 . 2 1 1 A 67 67 ALA H H 67 8.840 9.038 -0.198 1
1 720 . 2 1 1 A 67 67 ALA HA H 67 4.000 4.100 -0.100 1
1 724 . 2 1 1 A 67 67 ALA C C 67 179.000 179.700 -0.700 1
1 725 . 2 1 1 A 67 67 ALA CA C 67 55.490 55.301 0.189 1
1 726 . 2 1 1 A 67 67 ALA CB C 67 18.460 18.347 0.113 1
1 727 . 2 1 1 A 67 67 ALA N N 67 121.500 120.527 0.973 1
1 728 . 2 1 1 A 68 68 ALA H H 68 8.500 8.212 0.288 1
1 729 . 2 1 1 A 68 68 ALA HA H 68 4.160 3.991 0.169 1
1 733 . 2 1 1 A 68 68 ALA C C 68 179.070 179.545 -0.475 1
1 734 . 2 1 1 A 68 68 ALA CA C 68 55.290 54.957 0.333 1
1 735 . 2 1 1 A 68 68 ALA CB C 68 17.524 18.437 -0.913 1
1 736 . 2 1 1 A 68 68 ALA N N 68 120.100 120.210 -0.110 1
1 737 . 2 1 1 A 69 69 TYR H H 69 7.850 7.973 -0.123 1
1 738 . 2 1 1 A 69 69 TYR HA H 69 4.310 4.357 -0.047 1
1 741 . 2 1 1 A 69 69 TYR CA C 69 56.141 60.926 -4.785 1
1 742 . 2 1 1 A 69 69 TYR CB C 69 37.943 38.387 -0.444 1
1 743 . 2 1 1 A 69 69 TYR N N 69 118.930 115.961 2.969 1
1 744 . 2 1 1 A 70 70 HIS H H 70 7.960 8.065 -0.105 1
1 745 . 2 1 1 A 70 70 HIS HA H 70 4.510 4.290 0.220 1
1 748 . 2 1 1 A 70 70 HIS CA C 70 54.640 60.586 -5.946 1
1 749 . 2 1 1 A 70 70 HIS CB C 70 27.560 29.720 -2.160 1
1 750 . 2 1 1 A 70 70 HIS N N 70 125.790 119.645 6.145 1
1 751 . 2 1 1 A 71 71 ALA H H 71 9.190 9.269 -0.079 1
1 752 . 2 1 1 A 71 71 ALA HA H 71 3.960 3.977 -0.017 1
1 756 . 2 1 1 A 71 71 ALA C C 71 179.070 179.926 -0.856 1
1 757 . 2 1 1 A 71 71 ALA CA C 71 54.510 54.965 -0.455 1
1 758 . 2 1 1 A 71 71 ALA CB C 71 19.240 18.121 1.119 1
1 759 . 2 1 1 A 71 71 ALA N N 71 121.760 121.170 0.590 1
1 760 . 2 1 1 A 72 72 LYS H H 72 6.950 7.690 -0.740 1
1 761 . 2 1 1 A 72 72 LYS HA H 72 3.920 4.110 -0.190 1
1 770 . 2 1 1 A 72 72 LYS C C 72 176.750 179.009 -2.259 1
1 771 . 2 1 1 A 72 72 LYS CA C 72 57.690 58.998 -1.308 1
1 772 . 2 1 1 A 72 72 LYS CB C 72 31.720 32.784 -1.064 1
1 776 . 2 1 1 A 72 72 LYS N N 72 114.500 117.442 -2.942 1
1 777 . 2 1 1 A 73 73 HIS H H 73 7.140 8.462 -1.322 1
1 778 . 2 1 1 A 73 73 HIS HA H 73 4.830 4.210 0.620 1
1 781 . 2 1 1 A 73 73 HIS C C 73 173.590 175.969 -2.379 1
1 782 . 2 1 1 A 73 73 HIS CA C 73 54.070 59.743 -5.673 1
1 783 . 2 1 1 A 73 73 HIS CB C 73 29.640 29.887 -0.247 1
1 784 . 2 1 1 A 73 73 HIS N N 73 113.180 119.341 -6.161 1
1 785 . 2 1 1 A 74 74 CYS H H 74 7.020 8.208 -1.188 1
1 786 . 2 1 1 A 74 74 CYS HA H 74 4.140 4.325 -0.185 1
1 789 . 2 1 1 A 74 74 CYS C C 74 176.120 175.448 0.672 1
1 790 . 2 1 1 A 74 74 CYS CA C 74 59.829 58.750 1.079 1
1 791 . 2 1 1 A 74 74 CYS CB C 74 29.473 27.441 2.032 1
1 792 . 2 1 1 A 74 74 CYS N N 74 123.590 117.608 5.982 1
1 793 . 2 1 1 A 75 75 GLN H H 75 9.070 8.985 0.085 1
1 794 . 2 1 1 A 75 75 GLN HA H 75 4.705 4.307 0.398 1
1 798 . 2 1 1 A 75 75 GLN C C 75 175.620 175.533 0.087 1
1 799 . 2 1 1 A 75 75 GLN CA C 75 54.290 57.409 -3.119 1
1 800 . 2 1 1 A 75 75 GLN CB C 75 28.760 28.692 0.068 1
1 802 . 2 1 1 A 75 75 GLN N N 75 128.650 127.624 1.026 1
1 803 . 2 1 1 A 76 76 GLU H H 76 8.260 7.691 0.569 1
1 804 . 2 1 1 A 76 76 GLU HA H 76 4.410 4.690 -0.280 1
1 809 . 2 1 1 A 76 76 GLU C C 76 176.700 175.512 1.188 1
1 810 . 2 1 1 A 76 76 GLU CA C 76 55.510 55.756 -0.246 1
1 811 . 2 1 1 A 76 76 GLU CB C 76 29.860 31.330 -1.470 1
1 813 . 2 1 1 A 76 76 GLU N N 76 123.000 120.717 2.283 1
1 814 . 2 1 1 A 77 77 ASN H H 77 8.830 8.565 0.265 1
1 815 . 2 1 1 A 77 77 ASN HA H 77 4.530 4.722 -0.192 1
1 818 . 2 1 1 A 77 77 ASN C C 77 175.700 175.918 -0.218 1
1 819 . 2 1 1 A 77 77 ASN CA C 77 55.030 52.134 2.896 1
1 820 . 2 1 1 A 77 77 ASN CB C 77 38.030 37.194 0.836 1
1 821 . 2 1 1 A 77 77 ASN N N 77 125.100 124.802 0.298 1
1 822 . 2 1 1 A 78 78 LYS H H 78 8.660 8.544 0.116 1
1 823 . 2 1 1 A 78 78 LYS HA H 78 4.440 3.973 0.467 1
1 832 . 2 1 1 A 78 78 LYS C C 78 174.930 176.410 -1.480 1
1 833 . 2 1 1 A 78 78 LYS CA C 78 54.120 59.252 -5.132 1
1 834 . 2 1 1 A 78 78 LYS CB C 78 30.120 32.571 -2.451 1
1 838 . 2 1 1 A 78 78 LYS N N 78 120.580 125.516 -4.936 1
1 839 . 2 1 1 A 79 79 CYS H H 79 7.320 7.791 -0.471 1
1 840 . 2 1 1 A 79 79 CYS HA H 79 4.160 4.490 -0.330 1
1 843 . 2 1 1 A 79 79 CYS C C 79 176.230 174.689 1.541 1
1 844 . 2 1 1 A 79 79 CYS CA C 79 60.480 60.111 0.369 1
1 845 . 2 1 1 A 79 79 CYS CB C 79 28.440 28.538 -0.098 1
1 846 . 2 1 1 A 79 79 CYS N N 79 124.350 113.400 10.950 1
1 847 . 2 1 1 A 80 80 PRO HA H 80 4.730 4.321 0.409 1
1 854 . 2 1 1 A 80 80 PRO CA C 80 62.580 64.976 -2.396 1
1 855 . 2 1 1 A 80 80 PRO CB C 80 31.540 31.453 0.087 1
1 858 . 2 1 1 A 81 81 VAL H H 81 9.030 7.868 1.162 1
1 859 . 2 1 1 A 81 81 VAL HA H 81 3.570 4.117 -0.547 1
1 867 . 2 1 1 A 81 81 VAL CA C 81 62.220 60.667 1.553 1
1 868 . 2 1 1 A 81 81 VAL CB C 81 30.990 31.990 -1.000 1
1 871 . 2 1 1 A 81 81 VAL N N 81 127.570 119.554 8.016 1
1 872 . 2 1 1 A 82 82 PRO HA H 82 4.860 4.147 0.713 1
1 879 . 2 1 1 A 82 82 PRO CA C 82 62.860 65.538 -2.678 1
1 880 . 2 1 1 A 82 82 PRO CB C 82 31.550 31.122 0.428 1
1 883 . 2 1 1 A 83 83 PHE H H 83 6.940 6.141 0.799 1
1 884 . 2 1 1 A 83 83 PHE HA H 83 4.460 4.234 0.226 1
1 887 . 2 1 1 A 83 83 PHE C C 83 177.240 178.442 -1.202 1
1 888 . 2 1 1 A 83 83 PHE CA C 83 59.880 60.707 -0.827 1
1 889 . 2 1 1 A 83 83 PHE CB C 83 37.550 37.779 -0.229 1
1 890 . 2 1 1 A 83 83 PHE N N 83 123.530 117.168 6.362 1
1 891 . 2 1 1 A 84 84 CYS H H 84 7.020 8.268 -1.248 1
1 892 . 2 1 1 A 84 84 CYS HA H 84 4.100 4.065 0.035 1
1 895 . 2 1 1 A 84 84 CYS CA C 84 66.560 63.359 3.201 1
1 896 . 2 1 1 A 84 84 CYS CB C 84 29.770 27.807 1.963 1
1 897 . 2 1 1 A 84 84 CYS N N 84 111.010 118.407 -7.397 1
1 898 . 2 1 1 A 85 85 LEU H H 85 8.190 7.765 0.425 1
1 899 . 2 1 1 A 85 85 LEU HA H 85 4.130 3.904 0.226 1
1 908 . 2 1 1 A 85 85 LEU C C 85 178.700 179.397 -0.697 1
1 909 . 2 1 1 A 85 85 LEU CA C 85 57.450 57.957 -0.507 1
1 910 . 2 1 1 A 85 85 LEU CB C 85 41.720 41.431 0.289 1
1 914 . 2 1 1 A 85 85 LEU N N 85 120.080 120.890 -0.810 1
1 915 . 2 1 1 A 86 86 ASN H H 86 7.740 8.053 -0.313 1
1 916 . 2 1 1 A 86 86 ASN HA H 86 4.530 4.501 0.029 1
1 919 . 2 1 1 A 86 86 ASN C C 86 177.040 176.673 0.367 1
1 920 . 2 1 1 A 86 86 ASN CA C 86 55.510 56.446 -0.936 1
1 921 . 2 1 1 A 86 86 ASN CB C 86 38.650 38.258 0.392 1
1 922 . 2 1 1 A 86 86 ASN N N 86 115.410 118.488 -3.078 1
1 923 . 2 1 1 A 87 87 ILE H H 87 8.190 7.514 0.676 1
1 924 . 2 1 1 A 87 87 ILE HA H 87 3.960 3.961 -0.001 1
1 934 . 2 1 1 A 87 87 ILE C C 87 177.980 178.248 -0.268 1
1 935 . 2 1 1 A 87 87 ILE CA C 87 63.050 63.745 -0.695 1
1 936 . 2 1 1 A 87 87 ILE CB C 87 36.950 38.220 -1.270 1
1 940 . 2 1 1 A 87 87 ILE N N 87 120.100 119.127 0.973 1
1 941 . 2 1 1 A 88 88 LYS H H 88 8.300 9.156 -0.856 1
1 942 . 2 1 1 A 88 88 LYS HA H 88 4.160 3.939 0.221 1
1 949 . 2 1 1 A 88 88 LYS C C 88 179.730 179.101 0.629 1
1 950 . 2 1 1 A 88 88 LYS CA C 88 59.030 59.819 -0.789 1
1 951 . 2 1 1 A 88 88 LYS CB C 88 27.530 32.112 -4.582 1
1 953 . 2 1 1 A 88 88 LYS N N 88 118.760 120.216 -1.456 1
1 954 . 2 1 1 A 89 89 GLN H H 89 8.730 8.164 0.566 1
1 955 . 2 1 1 A 89 89 GLN HA H 89 4.440 4.125 0.315 1
1 958 . 2 1 1 A 89 89 GLN CA C 89 56.350 58.653 -2.303 1
1 959 . 2 1 1 A 89 89 GLN CB C 89 27.750 28.120 -0.370 1
1 961 . 2 1 1 A 89 89 GLN N N 89 122.660 120.005 2.655 1
1 978 . 2 2 2 B 2 2 GLU C C 2 176.270 176.537 -0.267 1
1 979 . 2 2 2 B 2 2 GLU CA C 2 56.070 59.338 -3.268 1
1 980 . 2 2 2 B 2 2 GLU CB C 2 29.100 30.156 -1.056 1
1 981 . 2 2 2 B 3 3 GLU HA H 3 4.650 4.394 0.256 1
1 986 . 2 2 2 B 3 3 GLU C C 3 176.270 177.034 -0.764 1
1 987 . 2 2 2 B 3 3 GLU CA C 3 53.970 57.596 -3.626 1
1 988 . 2 2 2 B 3 3 GLU CB C 3 29.200 32.182 -2.982 1
1 990 . 2 2 2 B 4 4 PRO HA H 4 4.510 4.265 0.245 1
1 997 . 2 2 2 B 4 4 PRO C C 4 181.100 177.421 3.679 1
1 998 . 2 2 2 B 4 4 PRO CA C 4 62.900 64.675 -1.775 1
1 999 . 2 2 2 B 4 4 PRO CB C 4 31.402 31.654 -0.252 1
1 1002 . 2 2 2 B 5 5 GLN H H 5 8.530 7.937 0.593 1
1 1003 . 2 2 2 B 5 5 GLN HA H 5 4.430 4.425 0.005 1
1 1007 . 2 2 2 B 5 5 GLN C C 5 176.100 174.909 1.191 1
1 1008 . 2 2 2 B 5 5 GLN CA C 5 53.450 57.090 -3.640 1
1 1009 . 2 2 2 B 5 5 GLN CB C 5 28.990 27.664 1.326 1
1 1011 . 2 2 2 B 5 5 GLN N N 5 120.510 116.643 3.867 1
1 1012 . 2 2 2 B 6 6 SER H H 6 8.330 8.280 0.050 1
1 1013 . 2 2 2 B 6 6 SER HA H 6 4.500 4.377 0.123 1
1 1015 . 2 2 2 B 6 6 SER C C 6 173.920 174.222 -0.302 1
1 1016 . 2 2 2 B 6 6 SER CA C 6 57.860 59.037 -1.177 1
1 1017 . 2 2 2 B 6 6 SER CB C 6 63.230 63.599 -0.369 1
1 1018 . 2 2 2 B 6 6 SER N N 6 117.080 118.111 -1.031 1
1 1019 . 2 2 2 B 7 7 ASP H H 7 8.380 8.859 -0.479 1
1 1020 . 2 2 2 B 7 7 ASP HA H 7 4.960 4.594 0.366 1
1 1023 . 2 2 2 B 7 7 ASP C C 7 174.780 176.729 -1.949 1
1 1024 . 2 2 2 B 7 7 ASP CA C 7 51.960 57.385 -5.425 1
1 1025 . 2 2 2 B 7 7 ASP CB C 7 40.850 40.859 -0.009 1
1 1026 . 2 2 2 B 7 7 ASP N N 7 123.030 124.915 -1.885 1
1 1027 . 2 2 2 B 8 8 PRO HA H 8 4.450 4.274 0.176 1
1 1034 . 2 2 2 B 8 8 PRO C C 8 177.080 178.159 -1.079 1
1 1035 . 2 2 2 B 8 8 PRO CA C 8 63.520 65.913 -2.393 1
1 1036 . 2 2 2 B 8 8 PRO CB C 8 31.612 30.818 0.794 1
1 1039 . 2 2 2 B 9 9 SER H H 9 8.520 8.083 0.437 1
1 1040 . 2 2 2 B 9 9 SER HA H 9 4.450 4.438 0.012 1
1 1042 . 2 2 2 B 9 9 SER C C 9 174.420 174.440 -0.020 1
1 1043 . 2 2 2 B 9 9 SER CA C 9 58.590 58.515 0.075 1
1 1044 . 2 2 2 B 9 9 SER CB C 9 63.330 64.368 -1.038 1
1 1045 . 2 2 2 B 9 9 SER N N 9 116.010 110.059 5.951 1
1 1046 . 2 2 2 B 10 10 VAL H H 10 7.771 7.567 0.204 1
1 1047 . 2 2 2 B 10 10 VAL HA H 10 4.200 4.097 0.103 1
1 1055 . 2 2 2 B 10 10 VAL C C 10 174.430 174.533 -0.103 1
1 1056 . 2 2 2 B 10 10 VAL CA C 10 61.330 61.938 -0.608 1
1 1057 . 2 2 2 B 10 10 VAL CB C 10 32.340 30.792 1.548 1
1 1060 . 2 2 2 B 10 10 VAL N N 10 121.350 123.300 -1.950 1
1 1061 . 2 2 2 B 11 11 GLU H H 11 8.000 8.616 -0.616 1
1 1062 . 2 2 2 B 11 11 GLU HA H 11 4.660 5.005 -0.345 1
1 1067 . 2 2 2 B 11 11 GLU C C 11 173.740 174.665 -0.925 1
1 1068 . 2 2 2 B 11 11 GLU CA C 11 53.130 53.508 -0.378 1
1 1069 . 2 2 2 B 11 11 GLU CB C 11 29.826 30.721 -0.895 1
1 1071 . 2 2 2 B 11 11 GLU N N 11 125.070 127.167 -2.097 1
1 1072 . 2 2 2 B 12 12 PRO HA H 12 4.520 4.444 0.076 1
1 1079 . 2 2 2 B 12 12 PRO CA C 12 63.570 63.233 0.337 1
1 1080 . 2 2 2 B 12 12 PRO CB C 12 31.350 31.684 -0.334 1
1 1083 . 2 2 2 B 13 13 PRO HA H 13 4.510 4.501 0.009 1
1 1090 . 2 2 2 B 13 13 PRO C C 13 175.980 177.275 -1.295 1
1 1091 . 2 2 2 B 13 13 PRO CB C 13 31.720 32.204 -0.484 1
1 1094 . 2 2 2 B 14 14 LEU H H 14 7.900 8.918 -1.018 1
1 1095 . 2 2 2 B 14 14 LEU HA H 14 4.480 4.489 -0.009 1
1 1101 . 2 2 2 B 14 14 LEU C C 14 177.260 176.962 0.298 1
1 1102 . 2 2 2 B 14 14 LEU CA C 14 52.290 54.518 -2.228 1
1 1103 . 2 2 2 B 14 14 LEU CB C 14 41.270 42.191 -0.921 1
1 1106 . 2 2 2 B 14 14 LEU N N 14 120.860 122.275 -1.415 1
1 1107 . 2 2 2 B 15 15 SER H H 15 8.620 8.213 0.407 1
1 1108 . 2 2 2 B 15 15 SER HA H 15 4.510 4.147 0.363 1
1 1111 . 2 2 2 B 15 15 SER C C 15 175.040 174.486 0.554 1
1 1112 . 2 2 2 B 15 15 SER CA C 15 57.330 60.764 -3.434 1
1 1113 . 2 2 2 B 15 15 SER CB C 15 63.960 61.231 2.729 1
1 1114 . 2 2 2 B 15 15 SER N N 15 117.360 112.008 5.352 1
1 1115 . 2 2 2 B 16 16 GLN H H 16 8.700 8.054 0.646 1
1 1116 . 2 2 2 B 16 16 GLN HA H 16 4.400 4.899 -0.499 1
1 1120 . 2 2 2 B 16 16 GLN C C 16 176.280 176.520 -0.240 1
1 1121 . 2 2 2 B 16 16 GLN CA C 16 56.170 55.224 0.946 1
1 1122 . 2 2 2 B 16 16 GLN CB C 16 29.310 29.474 -0.164 1
1 1124 . 2 2 2 B 16 16 GLN N N 16 122.480 118.414 4.066 1
1 1125 . 2 2 2 B 18 18 THR H H 18 7.860 8.095 -0.235 1
1 1126 . 2 2 2 B 18 18 THR HA H 18 4.080 3.959 0.121 1
1 1131 . 2 2 2 B 18 18 THR C C 18 175.900 176.485 -0.585 1
1 1132 . 2 2 2 B 18 18 THR CA C 18 66.280 66.711 -0.431 1
1 1133 . 2 2 2 B 18 18 THR CB C 18 67.550 68.737 -1.187 1
1 1135 . 2 2 2 B 18 18 THR N N 18 116.790 115.522 1.268 1
1 1136 . 2 2 2 B 19 19 PHE H H 19 8.640 8.631 0.009 1
1 1137 . 2 2 2 B 19 19 PHE HA H 19 4.340 4.360 -0.020 1
1 1140 . 2 2 2 B 19 19 PHE C C 19 176.340 178.341 -2.001 1
1 1141 . 2 2 2 B 19 19 PHE CA C 19 59.680 61.442 -1.762 1
1 1142 . 2 2 2 B 19 19 PHE CB C 19 38.070 39.180 -1.110 1
1 1143 . 2 2 2 B 19 19 PHE N N 19 120.710 120.712 -0.002 1
1 1144 . 2 2 2 B 20 20 SER H H 20 8.260 9.103 -0.843 1
1 1145 . 2 2 2 B 20 20 SER C C 20 176.100 176.668 -0.568 1
1 1146 . 2 2 2 B 20 20 SER CA C 20 61.280 61.745 -0.465 1
1 1147 . 2 2 2 B 20 20 SER CB C 20 61.980 63.297 -1.317 1
1 1148 . 2 2 2 B 20 20 SER N N 20 114.000 114.544 -0.544 1
1 1149 . 2 2 2 B 21 21 ASP H H 21 7.660 8.074 -0.414 1
1 1150 . 2 2 2 B 21 21 ASP HA H 21 4.520 4.301 0.219 1
1 1153 . 2 2 2 B 21 21 ASP C C 21 177.890 178.777 -0.887 1
1 1154 . 2 2 2 B 21 21 ASP CA C 21 56.070 57.245 -1.175 1
1 1155 . 2 2 2 B 21 21 ASP CB C 21 40.020 40.444 -0.424 1
1 1156 . 2 2 2 B 21 21 ASP N N 21 120.570 121.116 -0.546 1
1 1157 . 2 2 2 B 22 22 LEU H H 22 7.990 8.028 -0.038 1
1 1158 . 2 2 2 B 22 22 LEU HA H 22 3.940 4.006 -0.066 1
1 1165 . 2 2 2 B 22 22 LEU C C 22 178.390 179.063 -0.673 1
1 1166 . 2 2 2 B 22 22 LEU CA C 22 57.440 58.272 -0.832 1
1 1167 . 2 2 2 B 22 22 LEU CB C 22 41.270 41.776 -0.506 1
1 1170 . 2 2 2 B 22 22 LEU N N 22 120.860 119.590 1.270 1
1 1171 . 2 2 2 B 23 23 TRP H H 23 8.920 8.045 0.875 1
1 1172 . 2 2 2 B 23 23 TRP HA H 23 4.200 4.623 -0.423 1
1 1175 . 2 2 2 B 23 23 TRP C C 23 178.090 177.076 1.014 1
1 1176 . 2 2 2 B 23 23 TRP CA C 23 59.310 58.609 0.701 1
1 1177 . 2 2 2 B 23 23 TRP CB C 23 28.550 28.918 -0.368 1
1 1178 . 2 2 2 B 23 23 TRP N N 23 119.580 116.603 2.977 1
1 1179 . 2 2 2 B 24 24 LYS H H 24 7.380 6.887 0.493 1
1 1180 . 2 2 2 B 24 24 LYS HA H 24 4.090 3.762 0.328 1
1 1189 . 2 2 2 B 24 24 LYS C C 24 177.360 177.470 -0.110 1
1 1190 . 2 2 2 B 24 24 LYS CA C 24 57.750 56.278 1.472 1
1 1191 . 2 2 2 B 24 24 LYS CB C 24 31.980 32.333 -0.353 1
1 1195 . 2 2 2 B 24 24 LYS N N 24 116.010 118.053 -2.043 1
1 1196 . 2 2 2 B 25 25 LEU H H 25 7.700 7.612 0.088 1
1 1197 . 2 2 2 B 25 25 LEU HA H 25 4.330 4.503 -0.173 1
1 1207 . 2 2 2 B 25 25 LEU C C 25 177.290 176.246 1.044 1
1 1208 . 2 2 2 B 25 25 LEU CA C 25 54.920 53.913 1.007 1
1 1209 . 2 2 2 B 25 25 LEU CB C 25 42.220 41.653 0.567 1
1 1213 . 2 2 2 B 25 25 LEU N N 25 118.160 116.821 1.339 1
1 1214 . 2 2 2 B 26 26 LEU H H 26 7.350 7.216 0.134 1
1 1215 . 2 2 2 B 26 26 LEU HA H 26 4.540 4.732 -0.192 1
1 1225 . 2 2 2 B 26 26 LEU C C 26 175.090 176.709 -1.619 1
1 1226 . 2 2 2 B 26 26 LEU CA C 26 53.130 53.070 0.060 1
1 1227 . 2 2 2 B 26 26 LEU CB C 26 40.650 41.641 -0.991 1
1 1231 . 2 2 2 B 26 26 LEU N N 26 120.260 119.017 1.243 1
1 1232 . 2 2 2 B 27 27 PRO HA H 27 4.550 4.400 0.150 1
1 1239 . 2 2 2 B 27 27 PRO C C 27 177.410 176.672 0.738 1
1 1240 . 2 2 2 B 27 27 PRO CA C 27 62.420 65.009 -2.589 1
1 1241 . 2 2 2 B 27 27 PRO CB C 27 31.080 31.820 -0.740 1
1 1244 . 2 2 2 B 28 28 GLU H H 28 8.670 7.728 0.942 1
1 1245 . 2 2 2 B 28 28 GLU HA H 28 4.210 4.450 -0.240 1
1 1250 . 2 2 2 B 28 28 GLU C C 28 176.540 176.194 0.346 1
1 1251 . 2 2 2 B 28 28 GLU CA C 28 57.020 57.206 -0.186 1
1 1252 . 2 2 2 B 28 28 GLU CB C 28 28.980 32.200 -3.220 1
1 1254 . 2 2 2 B 28 28 GLU N N 28 119.490 115.408 4.082 1
1 1255 . 2 2 2 B 29 29 ASN H H 29 8.220 7.990 0.230 1
1 1256 . 2 2 2 B 29 29 ASN HA H 29 4.720 4.953 -0.233 1
1 1259 . 2 2 2 B 29 29 ASN C C 29 174.980 174.018 0.962 1
1 1260 . 2 2 2 B 29 29 ASN CA C 29 53.130 52.289 0.841 1
1 1261 . 2 2 2 B 29 29 ASN CB C 29 38.350 38.904 -0.554 1
1 1262 . 2 2 2 B 29 29 ASN N N 29 118.090 120.031 -1.941 1
1 1263 . 2 2 2 B 30 30 ASN H H 30 8.260 8.874 -0.614 1
1 1264 . 2 2 2 B 30 30 ASN HA H 30 4.740 5.110 -0.370 1
1 1267 . 2 2 2 B 30 30 ASN C C 30 175.120 174.632 0.488 1
1 1268 . 2 2 2 B 30 30 ASN CA C 30 53.230 53.072 0.158 1
1 1269 . 2 2 2 B 30 30 ASN CB C 30 38.550 39.527 -0.977 1
1 1270 . 2 2 2 B 30 30 ASN N N 30 118.720 125.284 -6.564 1
1 1271 . 2 2 2 B 31 31 VAL H H 31 8.010 9.008 -0.998 1
1 1272 . 2 2 2 B 31 31 VAL HA H 31 4.150 4.551 -0.401 1
1 1277 . 2 2 2 B 31 31 VAL C C 31 175.990 175.571 0.419 1
1 1278 . 2 2 2 B 31 31 VAL CA C 31 62.270 61.572 0.698 1
1 1279 . 2 2 2 B 31 31 VAL CB C 31 31.820 33.819 -1.999 1
1 1281 . 2 2 2 B 31 31 VAL N N 31 118.920 124.876 -5.956 1
1 1282 . 2 2 2 B 32 32 LEU H H 32 8.190 8.447 -0.257 1
1 1283 . 2 2 2 B 32 32 LEU HA H 32 4.420 4.581 -0.161 1
1 1292 . 2 2 2 B 32 32 LEU C C 32 176.960 176.366 0.594 1
1 1293 . 2 2 2 B 32 32 LEU CA C 32 54.490 54.325 0.165 1
1 1294 . 2 2 2 B 32 32 LEU CB C 32 41.800 41.958 -0.158 1
1 1298 . 2 2 2 B 32 32 LEU N N 32 123.760 126.003 -2.243 1
1 1299 . 2 2 2 B 33 33 SER H H 33 7.920 7.499 0.421 1
1 1300 . 2 2 2 B 33 33 SER HA H 33 4.790 4.306 0.484 1
1 1303 . 2 2 2 B 33 33 SER C C 33 172.710 173.516 -0.806 1
1 1304 . 2 2 2 B 33 33 SER CA C 33 55.970 56.958 -0.988 1
1 1305 . 2 2 2 B 33 33 SER CB C 33 63.020 63.498 -0.478 1
1 1306 . 2 2 2 B 33 33 SER N N 33 117.150 117.168 -0.018 1
1 1307 . 2 2 2 B 34 34 PRO HA H 34 4.510 4.564 -0.054 1
1 1314 . 2 2 2 B 34 34 PRO C C 34 176.750 176.381 0.369 1
1 1315 . 2 2 2 B 34 34 PRO CA C 34 62.690 63.013 -0.323 1
1 1316 . 2 2 2 B 34 34 PRO CB C 34 31.420 32.120 -0.700 1
1 1319 . 2 2 2 B 35 35 LEU H H 35 8.200 8.442 -0.242 1
1 1320 . 2 2 2 B 35 35 LEU HA H 35 4.620 4.743 -0.123 1
1 1326 . 2 2 2 B 35 35 LEU C C 35 175.560 174.672 0.888 1
1 1327 . 2 2 2 B 35 35 LEU CA C 35 52.710 52.713 -0.003 1
1 1328 . 2 2 2 B 35 35 LEU CB C 35 41.280 41.986 -0.706 1
1 1331 . 2 2 2 B 35 35 LEU N N 35 123.000 123.146 -0.146 1
1 1332 . 2 2 2 B 36 36 PRO HA H 36 4.850 4.489 0.361 1
1 1339 . 2 2 2 B 36 36 PRO C C 36 176.970 177.866 -0.896 1
1 1340 . 2 2 2 B 36 36 PRO CA C 36 62.690 63.062 -0.372 1
1 1341 . 2 2 2 B 36 36 PRO CB C 36 31.420 32.623 -1.203 1
1 1344 . 2 2 2 B 37 37 SER H H 37 8.280 8.722 -0.442 1
1 1345 . 2 2 2 B 37 37 SER HA H 37 4.520 4.104 0.416 1
1 1347 . 2 2 2 B 37 37 SER C C 37 174.580 174.923 -0.343 1
1 1348 . 2 2 2 B 37 37 SER CA C 37 55.870 61.586 -5.716 1
1 1349 . 2 2 2 B 37 37 SER CB C 37 63.360 63.401 -0.041 1
1 1350 . 2 2 2 B 37 37 SER N N 37 115.170 118.647 -3.477 1
1 1351 . 2 2 2 B 38 38 GLN H H 38 8.310 7.634 0.676 1
1 1352 . 2 2 2 B 38 38 GLN HA H 38 4.410 4.664 -0.254 1
1 1356 . 2 2 2 B 38 38 GLN C C 38 174.650 174.696 -0.046 1
1 1357 . 2 2 2 B 38 38 GLN CA C 38 55.550 54.869 0.681 1
1 1358 . 2 2 2 B 38 38 GLN CB C 38 29.190 30.486 -1.296 1
1 1360 . 2 2 2 B 38 38 GLN N N 38 122.270 119.875 2.395 1
1 1 . 3 1 1 A 2 2 THR C C 2 174.280 175.452 -1.172 1
1 2 . 3 1 1 A 2 2 THR CA C 2 61.820 65.552 -3.732 1
1 3 . 3 1 1 A 2 2 THR CB C 2 69.660 68.635 1.025 1
1 4 . 3 1 1 A 3 3 GLN H H 3 8.502 7.617 0.885 1
1 5 . 3 1 1 A 3 3 GLN HA H 3 4.485 4.899 -0.414 1
1 9 . 3 1 1 A 3 3 GLN C C 3 175.680 175.132 0.548 1
1 10 . 3 1 1 A 3 3 GLN CA C 3 55.490 55.445 0.045 1
1 11 . 3 1 1 A 3 3 GLN CB C 3 28.570 30.382 -1.812 1
1 13 . 3 1 1 A 3 3 GLN N N 3 123.346 120.937 2.409 1
1 14 . 3 1 1 A 4 4 SER H H 4 8.586 8.640 -0.054 1
1 15 . 3 1 1 A 4 4 SER HA H 4 4.860 4.697 0.163 1
1 18 . 3 1 1 A 4 4 SER C C 4 173.240 173.973 -0.733 1
1 19 . 3 1 1 A 4 4 SER CA C 4 56.280 56.497 -0.217 1
1 20 . 3 1 1 A 4 4 SER CB C 4 63.080 65.683 -2.603 1
1 21 . 3 1 1 A 4 4 SER N N 4 119.430 116.949 2.481 1
1 22 . 3 1 1 A 5 5 PRO HA H 5 4.490 4.217 0.273 1
1 29 . 3 1 1 A 5 5 PRO C C 5 178.020 178.395 -0.375 1
1 30 . 3 1 1 A 5 5 PRO CA C 5 63.740 65.311 -1.571 1
1 31 . 3 1 1 A 5 5 PRO CB C 5 30.120 31.679 -1.559 1
1 34 . 3 1 1 A 6 6 GLY H H 6 8.420 8.417 0.003 1
1 35 . 3 1 1 A 6 6 GLY HA3 H 6 3.980 3.877 0.103 1
1 36 . 3 1 1 A 6 6 GLY C C 6 174.600 175.315 -0.715 1
1 37 . 3 1 1 A 6 6 GLY CA C 6 45.580 46.689 -1.109 1
1 38 . 3 1 1 A 6 6 GLY N N 6 108.250 105.340 2.910 1
1 39 . 3 1 1 A 7 7 ASP H H 7 8.080 8.397 -0.317 1
1 40 . 3 1 1 A 7 7 ASP HA H 7 4.660 4.446 0.214 1
1 42 . 3 1 1 A 7 7 ASP C C 7 177.440 178.751 -1.311 1
1 43 . 3 1 1 A 7 7 ASP CA C 7 54.960 56.375 -1.415 1
1 44 . 3 1 1 A 7 7 ASP CB C 7 40.740 40.696 0.044 1
1 45 . 3 1 1 A 7 7 ASP N N 7 121.210 121.946 -0.736 1
1 46 . 3 1 1 A 8 8 SER H H 8 8.363 8.133 0.230 1
1 47 . 3 1 1 A 8 8 SER HA H 8 4.330 4.192 0.138 1
1 49 . 3 1 1 A 8 8 SER C C 8 177.520 177.103 0.417 1
1 50 . 3 1 1 A 8 8 SER CA C 8 59.990 61.358 -1.368 1
1 51 . 3 1 1 A 8 8 SER CB C 8 62.540 62.895 -0.355 1
1 52 . 3 1 1 A 8 8 SER N N 8 117.020 116.476 0.544 1
1 53 . 3 1 1 A 9 9 ARG H H 9 8.270 8.654 -0.384 1
1 54 . 3 1 1 A 9 9 ARG HA H 9 4.820 4.154 0.666 1
1 59 . 3 1 1 A 9 9 ARG C C 9 177.800 178.755 -0.955 1
1 60 . 3 1 1 A 9 9 ARG CA C 9 58.170 58.734 -0.564 1
1 61 . 3 1 1 A 9 9 ARG CB C 9 29.490 29.833 -0.343 1
1 64 . 3 1 1 A 9 9 ARG N N 9 123.050 121.796 1.254 1
1 65 . 3 1 1 A 10 10 ARG H H 10 8.030 7.508 0.522 1
1 66 . 3 1 1 A 10 10 ARG HA H 10 4.100 4.045 0.055 1
1 73 . 3 1 1 A 10 10 ARG C C 10 177.900 178.738 -0.838 1
1 74 . 3 1 1 A 10 10 ARG CA C 10 57.100 59.026 -1.926 1
1 75 . 3 1 1 A 10 10 ARG CB C 10 29.490 29.904 -0.414 1
1 78 . 3 1 1 A 10 10 ARG N N 10 119.730 119.109 0.621 1
1 79 . 3 1 1 A 11 11 LEU H H 11 8.100 8.719 -0.619 1
1 80 . 3 1 1 A 11 11 LEU HA H 11 4.220 4.094 0.126 1
1 87 . 3 1 1 A 11 11 LEU C C 11 178.600 179.331 -0.731 1
1 88 . 3 1 1 A 11 11 LEU CA C 11 57.100 57.524 -0.424 1
1 89 . 3 1 1 A 11 11 LEU CB C 11 41.270 41.255 0.015 1
1 92 . 3 1 1 A 11 11 LEU N N 11 120.770 119.788 0.982 1
1 93 . 3 1 1 A 12 12 SER H H 12 8.052 8.652 -0.600 1
1 94 . 3 1 1 A 12 12 SER HA H 12 4.250 4.141 0.109 1
1 97 . 3 1 1 A 12 12 SER C C 12 178.790 176.384 2.406 1
1 98 . 3 1 1 A 12 12 SER CA C 12 60.960 61.424 -0.464 1
1 99 . 3 1 1 A 12 12 SER CB C 12 62.580 62.884 -0.304 1
1 100 . 3 1 1 A 12 12 SER N N 12 115.760 113.967 1.793 1
1 101 . 3 1 1 A 13 13 ILE H H 13 8.000 7.741 0.259 1
1 102 . 3 1 1 A 13 13 ILE HA H 13 3.730 3.826 -0.096 1
1 112 . 3 1 1 A 13 13 ILE C C 13 179.740 177.977 1.763 1
1 113 . 3 1 1 A 13 13 ILE CA C 13 64.920 64.398 0.522 1
1 114 . 3 1 1 A 13 13 ILE CB C 13 37.200 37.173 0.027 1
1 118 . 3 1 1 A 13 13 ILE N N 13 123.290 118.841 4.449 1
1 119 . 3 1 1 A 14 14 GLN H H 14 8.110 8.139 -0.029 1
1 120 . 3 1 1 A 14 14 GLN HA H 14 4.030 3.947 0.083 1
1 124 . 3 1 1 A 14 14 GLN C C 14 178.850 178.903 -0.053 1
1 125 . 3 1 1 A 14 14 GLN CA C 14 59.170 58.981 0.189 1
1 126 . 3 1 1 A 14 14 GLN CB C 14 27.810 28.566 -0.756 1
1 128 . 3 1 1 A 14 14 GLN N N 14 119.020 120.677 -1.657 1
1 129 . 3 1 1 A 15 15 ARG H H 15 8.360 7.751 0.609 1
1 130 . 3 1 1 A 15 15 ARG HA H 15 3.980 3.969 0.011 1
1 137 . 3 1 1 A 15 15 ARG C C 15 177.020 178.796 -1.776 1
1 138 . 3 1 1 A 15 15 ARG CA C 15 59.030 59.109 -0.079 1
1 139 . 3 1 1 A 15 15 ARG CB C 15 29.460 30.159 -0.699 1
1 142 . 3 1 1 A 15 15 ARG N N 15 118.820 119.011 -0.191 1
1 143 . 3 1 1 A 16 16 ALA H H 16 8.000 7.705 0.295 1
1 144 . 3 1 1 A 16 16 ALA HA H 16 4.230 4.061 0.169 1
1 148 . 3 1 1 A 16 16 ALA C C 16 179.750 179.910 -0.160 1
1 149 . 3 1 1 A 16 16 ALA CA C 16 55.190 54.957 0.233 1
1 150 . 3 1 1 A 16 16 ALA CB C 16 18.020 17.996 0.024 1
1 151 . 3 1 1 A 16 16 ALA N N 16 123.800 121.618 2.182 1
1 152 . 3 1 1 A 17 17 ILE H H 17 8.490 9.071 -0.581 1
1 153 . 3 1 1 A 17 17 ILE HA H 17 3.760 3.487 0.273 1
1 163 . 3 1 1 A 17 17 ILE C C 17 178.300 177.981 0.319 1
1 164 . 3 1 1 A 17 17 ILE CA C 17 64.710 65.537 -0.827 1
1 165 . 3 1 1 A 17 17 ILE CB C 17 36.560 37.679 -1.119 1
1 169 . 3 1 1 A 17 17 ILE N N 17 118.260 118.836 -0.576 1
1 170 . 3 1 1 A 18 18 GLN H H 18 8.230 9.240 -1.010 1
1 171 . 3 1 1 A 18 18 GLN HA H 18 4.110 3.959 0.151 1
1 175 . 3 1 1 A 18 18 GLN C C 18 178.950 178.022 0.928 1
1 176 . 3 1 1 A 18 18 GLN CA C 18 59.030 58.932 0.098 1
1 177 . 3 1 1 A 18 18 GLN CB C 18 27.540 28.227 -0.687 1
1 179 . 3 1 1 A 18 18 GLN N N 18 118.800 118.606 0.194 1
1 180 . 3 1 1 A 19 19 SER H H 19 8.230 7.618 0.612 1
1 181 . 3 1 1 A 19 19 SER HA H 19 4.430 4.499 -0.069 1
1 184 . 3 1 1 A 19 19 SER C C 19 176.120 176.958 -0.838 1
1 185 . 3 1 1 A 19 19 SER CA C 19 61.600 61.199 0.401 1
1 186 . 3 1 1 A 19 19 SER CB C 19 62.580 62.978 -0.398 1
1 187 . 3 1 1 A 19 19 SER N N 19 116.040 115.339 0.701 1
1 188 . 3 1 1 A 20 20 LEU H H 20 8.250 9.520 -1.270 1
1 189 . 3 1 1 A 20 20 LEU HA H 20 4.090 4.059 0.031 1
1 199 . 3 1 1 A 20 20 LEU C C 20 177.180 178.522 -1.342 1
1 200 . 3 1 1 A 20 20 LEU CA C 20 58.390 58.096 0.294 1
1 201 . 3 1 1 A 20 20 LEU CB C 20 41.810 41.830 -0.020 1
1 205 . 3 1 1 A 20 20 LEU N N 20 125.460 123.271 2.189 1
1 206 . 3 1 1 A 21 21 VAL H H 21 8.520 8.933 -0.413 1
1 207 . 3 1 1 A 21 21 VAL HA H 21 3.340 3.477 -0.137 1
1 212 . 3 1 1 A 21 21 VAL C C 21 178.430 178.255 0.175 1
1 213 . 3 1 1 A 21 21 VAL CA C 21 66.510 66.369 0.141 1
1 214 . 3 1 1 A 21 21 VAL CB C 21 31.270 31.420 -0.150 1
1 217 . 3 1 1 A 21 21 VAL N N 21 118.590 119.016 -0.426 1
1 218 . 3 1 1 A 22 22 HIS H H 22 7.950 7.819 0.131 1
1 219 . 3 1 1 A 22 22 HIS HA H 22 4.260 4.208 0.052 1
1 222 . 3 1 1 A 22 22 HIS C C 22 178.020 177.364 0.656 1
1 223 . 3 1 1 A 22 22 HIS CA C 22 59.770 59.801 -0.031 1
1 224 . 3 1 1 A 22 22 HIS CB C 22 27.230 30.035 -2.805 1
1 225 . 3 1 1 A 22 22 HIS N N 22 115.760 119.289 -3.529 1
1 226 . 3 1 1 A 23 23 ALA H H 23 8.580 9.427 -0.847 1
1 227 . 3 1 1 A 23 23 ALA HA H 23 4.190 3.930 0.260 1
1 231 . 3 1 1 A 23 23 ALA C C 23 179.210 178.953 0.257 1
1 232 . 3 1 1 A 23 23 ALA CA C 23 54.420 54.681 -0.261 1
1 233 . 3 1 1 A 23 23 ALA CB C 23 19.010 18.006 1.004 1
1 234 . 3 1 1 A 23 23 ALA N N 23 121.190 120.819 0.371 1
1 235 . 3 1 1 A 24 24 ALA H H 24 8.240 7.822 0.418 1
1 236 . 3 1 1 A 24 24 ALA HA H 24 4.110 4.098 0.012 1
1 240 . 3 1 1 A 24 24 ALA C C 24 177.610 178.109 -0.499 1
1 241 . 3 1 1 A 24 24 ALA CA C 24 53.540 53.285 0.255 1
1 242 . 3 1 1 A 24 24 ALA CB C 24 18.060 18.965 -0.905 1
1 243 . 3 1 1 A 24 24 ALA N N 24 116.530 119.121 -2.591 1
1 244 . 3 1 1 A 25 25 GLN H H 25 7.230 7.635 -0.405 1
1 245 . 3 1 1 A 25 25 GLN HA H 25 4.540 4.388 0.152 1
1 250 . 3 1 1 A 25 25 GLN C C 25 174.530 176.391 -1.861 1
1 251 . 3 1 1 A 25 25 GLN CA C 25 54.400 56.183 -1.783 1
1 252 . 3 1 1 A 25 25 GLN CB C 25 30.090 30.424 -0.334 1
1 254 . 3 1 1 A 25 25 GLN N N 25 112.050 114.614 -2.564 1
1 255 . 3 1 1 A 26 26 CYS H H 26 7.320 8.512 -1.192 1
1 256 . 3 1 1 A 26 26 CYS HA H 26 3.920 4.427 -0.507 1
1 259 . 3 1 1 A 26 26 CYS C C 26 176.230 173.781 2.449 1
1 260 . 3 1 1 A 26 26 CYS CA C 26 60.480 57.555 2.925 1
1 261 . 3 1 1 A 26 26 CYS CB C 26 28.470 26.743 1.727 1
1 262 . 3 1 1 A 26 26 CYS N N 26 124.310 119.319 4.991 1
1 263 . 3 1 1 A 27 27 ARG H H 27 8.840 8.632 0.208 1
1 264 . 3 1 1 A 27 27 ARG HA H 27 4.650 4.280 0.370 1
1 271 . 3 1 1 A 27 27 ARG C C 27 175.270 176.097 -0.827 1
1 272 . 3 1 1 A 27 27 ARG CA C 27 54.320 55.016 -0.696 1
1 273 . 3 1 1 A 27 27 ARG CB C 27 29.490 28.552 0.938 1
1 276 . 3 1 1 A 27 27 ARG N N 27 129.620 128.331 1.289 1
1 277 . 3 1 1 A 28 28 ASN H H 28 7.930 8.038 -0.108 1
1 278 . 3 1 1 A 28 28 ASN HA H 28 4.890 4.536 0.354 1
1 281 . 3 1 1 A 28 28 ASN C C 28 175.240 175.117 0.123 1
1 282 . 3 1 1 A 28 28 ASN CA C 28 51.540 55.777 -4.237 1
1 283 . 3 1 1 A 28 28 ASN CB C 28 38.460 39.240 -0.780 1
1 284 . 3 1 1 A 28 28 ASN N N 28 120.580 123.642 -3.062 1
1 285 . 3 1 1 A 29 29 ALA H H 29 9.100 7.889 1.211 1
1 286 . 3 1 1 A 29 29 ALA HA H 29 4.120 3.973 0.147 1
1 290 . 3 1 1 A 29 29 ALA C C 29 178.010 177.383 0.627 1
1 291 . 3 1 1 A 29 29 ALA CA C 29 54.040 55.193 -1.153 1
1 292 . 3 1 1 A 29 29 ALA CB C 29 18.020 17.054 0.966 1
1 293 . 3 1 1 A 29 29 ALA N N 29 130.290 120.642 9.648 1
1 294 . 3 1 1 A 30 30 ASN H H 30 8.080 8.227 -0.147 1
1 295 . 3 1 1 A 30 30 ASN HA H 30 4.900 4.892 0.008 1
1 298 . 3 1 1 A 30 30 ASN C C 30 174.150 174.744 -0.594 1
1 299 . 3 1 1 A 30 30 ASN CA C 30 51.490 53.403 -1.913 1
1 300 . 3 1 1 A 30 30 ASN CB C 30 38.200 39.041 -0.841 1
1 301 . 3 1 1 A 30 30 ASN N N 30 114.290 115.441 -1.151 1
1 302 . 3 1 1 A 31 31 CYS H H 31 7.170 7.410 -0.240 1
1 303 . 3 1 1 A 31 31 CYS HA H 31 4.079 4.310 -0.231 1
1 306 . 3 1 1 A 31 31 CYS C C 31 176.800 176.349 0.451 1
1 307 . 3 1 1 A 31 31 CYS CA C 31 61.430 60.057 1.373 1
1 308 . 3 1 1 A 31 31 CYS CB C 31 29.428 28.238 1.190 1
1 309 . 3 1 1 A 31 31 CYS N N 31 123.080 120.660 2.420 1
1 310 . 3 1 1 A 32 32 SER H H 32 8.740 8.820 -0.080 1
1 311 . 3 1 1 A 32 32 SER HA H 32 4.150 4.493 -0.343 1
1 314 . 3 1 1 A 32 32 SER C C 32 174.850 174.201 0.649 1
1 315 . 3 1 1 A 32 32 SER CA C 32 57.570 59.009 -1.439 1
1 316 . 3 1 1 A 32 32 SER CB C 32 63.540 63.730 -0.190 1
1 317 . 3 1 1 A 32 32 SER N N 32 124.210 121.286 2.924 1
1 318 . 3 1 1 A 33 33 LEU H H 33 8.520 7.651 0.869 1
1 319 . 3 1 1 A 33 33 LEU HA H 33 4.570 4.701 -0.131 1
1 329 . 3 1 1 A 33 33 LEU C C 33 176.850 175.849 1.001 1
1 330 . 3 1 1 A 33 33 LEU CA C 33 54.080 51.228 2.852 1
1 331 . 3 1 1 A 33 33 LEU CB C 33 40.420 41.772 -1.352 1
1 335 . 3 1 1 A 33 33 LEU N N 33 128.730 124.330 4.400 1
1 336 . 3 1 1 A 34 34 PRO HA H 34 4.360 4.329 0.031 1
1 343 . 3 1 1 A 34 34 PRO C C 34 178.380 178.154 0.226 1
1 344 . 3 1 1 A 34 34 PRO CA C 34 64.970 65.017 -0.047 1
1 345 . 3 1 1 A 34 34 PRO CB C 34 31.230 31.985 -0.755 1
1 348 . 3 1 1 A 35 35 SER H H 35 8.300 8.472 -0.172 1
1 349 . 3 1 1 A 35 35 SER HA H 35 4.320 4.223 0.097 1
1 352 . 3 1 1 A 35 35 SER C C 35 178.350 176.547 1.803 1
1 353 . 3 1 1 A 35 35 SER CA C 35 59.953 61.508 -1.555 1
1 354 . 3 1 1 A 35 35 SER CB C 35 62.470 62.809 -0.339 1
1 355 . 3 1 1 A 35 35 SER N N 35 111.680 113.442 -1.762 1
1 356 . 3 1 1 A 36 36 CYS H H 36 7.500 8.990 -1.490 1
1 357 . 3 1 1 A 36 36 CYS HA H 36 4.242 4.138 0.104 1
1 360 . 3 1 1 A 36 36 CYS C C 36 176.630 177.160 -0.530 1
1 361 . 3 1 1 A 36 36 CYS CA C 36 63.710 63.678 0.032 1
1 362 . 3 1 1 A 36 36 CYS CB C 36 29.170 27.215 1.955 1
1 363 . 3 1 1 A 36 36 CYS N N 36 125.580 119.804 5.776 1
1 364 . 3 1 1 A 37 37 GLN H H 37 8.170 7.756 0.414 1
1 365 . 3 1 1 A 37 37 GLN HA H 37 4.010 3.987 0.023 1
1 369 . 3 1 1 A 37 37 GLN C C 37 178.900 178.052 0.848 1
1 370 . 3 1 1 A 37 37 GLN CA C 37 59.580 58.938 0.642 1
1 371 . 3 1 1 A 37 37 GLN CB C 37 27.560 28.370 -0.810 1
1 373 . 3 1 1 A 37 37 GLN N N 37 116.020 119.912 -3.892 1
1 374 . 3 1 1 A 38 38 LYS H H 38 7.840 7.738 0.102 1
1 375 . 3 1 1 A 38 38 LYS HA H 38 4.079 4.137 -0.058 1
1 381 . 3 1 1 A 38 38 LYS C C 38 179.300 179.438 -0.138 1
1 382 . 3 1 1 A 38 38 LYS CA C 38 59.280 59.105 0.175 1
1 383 . 3 1 1 A 38 38 LYS CB C 38 32.120 31.960 0.160 1
1 387 . 3 1 1 A 38 38 LYS N N 38 117.000 119.951 -2.951 1
1 388 . 3 1 1 A 39 39 MET H H 39 8.270 8.379 -0.109 1
1 389 . 3 1 1 A 39 39 MET HA H 39 4.580 4.225 0.355 1
1 394 . 3 1 1 A 39 39 MET C C 39 179.710 178.785 0.925 1
1 395 . 3 1 1 A 39 39 MET CA C 39 56.330 58.785 -2.455 1
1 396 . 3 1 1 A 39 39 MET CB C 39 31.180 31.702 -0.522 1
1 398 . 3 1 1 A 39 39 MET N N 39 118.020 117.844 0.176 1
1 399 . 3 1 1 A 40 40 LYS H H 40 9.530 8.874 0.656 1
1 400 . 3 1 1 A 40 40 LYS HA H 40 3.860 4.016 -0.156 1
1 406 . 3 1 1 A 40 40 LYS C C 40 179.620 178.832 0.788 1
1 407 . 3 1 1 A 40 40 LYS CA C 40 61.360 59.944 1.416 1
1 408 . 3 1 1 A 40 40 LYS CB C 40 32.120 32.247 -0.127 1
1 412 . 3 1 1 A 40 40 LYS N N 40 122.280 119.398 2.882 1
1 413 . 3 1 1 A 41 41 ARG H H 41 7.560 7.659 -0.099 1
1 414 . 3 1 1 A 41 41 ARG HA H 41 4.200 4.127 0.073 1
1 421 . 3 1 1 A 41 41 ARG C C 41 179.650 178.890 0.760 1
1 422 . 3 1 1 A 41 41 ARG CA C 41 59.350 58.737 0.613 1
1 423 . 3 1 1 A 41 41 ARG CB C 41 29.300 29.860 -0.560 1
1 426 . 3 1 1 A 41 41 ARG N N 41 117.590 119.996 -2.406 1
1 427 . 3 1 1 A 42 42 VAL H H 42 7.570 7.651 -0.081 1
1 428 . 3 1 1 A 42 42 VAL HA H 42 3.670 3.730 -0.060 1
1 436 . 3 1 1 A 42 42 VAL C C 42 177.480 178.664 -1.184 1
1 437 . 3 1 1 A 42 42 VAL CA C 42 66.420 66.335 0.085 1
1 438 . 3 1 1 A 42 42 VAL CB C 42 30.700 31.788 -1.088 1
1 441 . 3 1 1 A 42 42 VAL N N 42 121.450 119.341 2.109 1
1 442 . 3 1 1 A 43 43 VAL H H 43 8.450 8.854 -0.404 1
1 443 . 3 1 1 A 43 43 VAL HA H 43 3.540 3.671 -0.131 1
1 448 . 3 1 1 A 43 43 VAL C C 43 178.950 178.146 0.804 1
1 449 . 3 1 1 A 43 43 VAL CA C 43 66.940 66.596 0.344 1
1 450 . 3 1 1 A 43 43 VAL CB C 43 31.090 31.730 -0.640 1
1 452 . 3 1 1 A 43 43 VAL N N 43 120.380 120.902 -0.522 1
1 453 . 3 1 1 A 44 44 GLN H H 44 8.400 9.415 -1.015 1
1 454 . 3 1 1 A 44 44 GLN HA H 44 4.020 4.054 -0.034 1
1 457 . 3 1 1 A 44 44 GLN C C 44 177.240 178.437 -1.197 1
1 458 . 3 1 1 A 44 44 GLN CA C 44 58.550 58.743 -0.193 1
1 459 . 3 1 1 A 44 44 GLN CB C 44 27.550 28.131 -0.581 1
1 461 . 3 1 1 A 44 44 GLN N N 44 119.280 117.812 1.468 1
1 462 . 3 1 1 A 45 45 HIS H H 45 8.070 8.061 0.009 1
1 463 . 3 1 1 A 45 45 HIS HA H 45 4.280 4.303 -0.023 1
1 465 . 3 1 1 A 45 45 HIS C C 45 177.800 177.079 0.721 1
1 466 . 3 1 1 A 45 45 HIS CA C 45 59.440 59.131 0.309 1
1 467 . 3 1 1 A 45 45 HIS CB C 45 26.760 29.782 -3.022 1
1 468 . 3 1 1 A 45 45 HIS N N 45 119.000 121.464 -2.464 1
1 469 . 3 1 1 A 46 46 THR H H 46 7.800 8.721 -0.921 1
1 470 . 3 1 1 A 46 46 THR HA H 46 3.870 3.453 0.417 1
1 475 . 3 1 1 A 46 46 THR C C 46 175.850 176.363 -0.513 1
1 476 . 3 1 1 A 46 46 THR CA C 46 65.410 66.762 -1.352 1
1 477 . 3 1 1 A 46 46 THR CB C 46 68.850 68.434 0.416 1
1 479 . 3 1 1 A 46 46 THR N N 46 110.300 115.246 -4.946 1
1 480 . 3 1 1 A 47 47 LYS H H 47 7.310 8.067 -0.757 1
1 481 . 3 1 1 A 47 47 LYS HA H 47 4.100 4.087 0.013 1
1 488 . 3 1 1 A 47 47 LYS C C 47 177.640 179.895 -2.255 1
1 489 . 3 1 1 A 47 47 LYS CA C 47 58.310 59.280 -0.970 1
1 490 . 3 1 1 A 47 47 LYS CB C 47 31.420 32.136 -0.716 1
1 494 . 3 1 1 A 47 47 LYS N N 47 120.240 119.587 0.653 1
1 495 . 3 1 1 A 48 48 GLY H H 48 7.159 7.647 -0.488 1
1 496 . 3 1 1 A 48 48 GLY HA2 H 48 4.410 4.007 0.403 1
1 497 . 3 1 1 A 48 48 GLY HA3 H 48 3.680 4.036 -0.356 1
1 498 . 3 1 1 A 48 48 GLY C C 48 173.850 174.245 -0.395 1
1 499 . 3 1 1 A 48 48 GLY CA C 48 44.433 46.590 -2.157 1
1 500 . 3 1 1 A 48 48 GLY N N 48 103.360 106.977 -3.617 1
1 501 . 3 1 1 A 49 49 CYS H H 49 6.910 7.433 -0.523 1
1 502 . 3 1 1 A 49 49 CYS HA H 49 4.020 4.614 -0.594 1
1 505 . 3 1 1 A 49 49 CYS C C 49 176.710 175.169 1.541 1
1 506 . 3 1 1 A 49 49 CYS CA C 49 60.620 57.260 3.360 1
1 507 . 3 1 1 A 49 49 CYS CB C 49 29.260 29.732 -0.472 1
1 508 . 3 1 1 A 49 49 CYS N N 49 123.280 119.841 3.439 1
1 509 . 3 1 1 A 50 50 LYS H H 50 8.960 8.996 -0.036 1
1 510 . 3 1 1 A 50 50 LYS HA H 50 3.980 4.102 -0.122 1
1 519 . 3 1 1 A 50 50 LYS C C 50 177.580 178.832 -1.252 1
1 520 . 3 1 1 A 50 50 LYS CA C 50 56.280 59.277 -2.997 1
1 521 . 3 1 1 A 50 50 LYS CB C 50 32.150 32.619 -0.469 1
1 525 . 3 1 1 A 50 50 LYS N N 50 128.200 127.959 0.241 1
1 526 . 3 1 1 A 51 51 ARG H H 51 8.530 8.064 0.466 1
1 527 . 3 1 1 A 51 51 ARG HA H 51 4.460 4.062 0.398 1
1 533 . 3 1 1 A 51 51 ARG C C 51 176.700 178.645 -1.945 1
1 534 . 3 1 1 A 51 51 ARG CA C 51 57.203 59.178 -1.975 1
1 535 . 3 1 1 A 51 51 ARG CB C 51 30.969 29.698 1.271 1
1 538 . 3 1 1 A 51 51 ARG N N 51 122.350 120.745 1.605 1
1 539 . 3 1 1 A 52 52 LYS H H 52 8.420 7.613 0.807 1
1 540 . 3 1 1 A 52 52 LYS HA H 52 4.470 4.173 0.297 1
1 549 . 3 1 1 A 52 52 LYS C C 52 177.300 178.943 -1.643 1
1 550 . 3 1 1 A 52 52 LYS CA C 52 57.600 58.806 -1.206 1
1 551 . 3 1 1 A 52 52 LYS CB C 52 31.627 32.258 -0.631 1
1 555 . 3 1 1 A 52 52 LYS N N 52 118.820 119.270 -0.450 1
1 556 . 3 1 1 A 53 53 THR H H 53 7.760 7.813 -0.053 1
1 557 . 3 1 1 A 53 53 THR HA H 53 4.230 3.853 0.377 1
1 562 . 3 1 1 A 53 53 THR C C 53 175.700 177.041 -1.341 1
1 563 . 3 1 1 A 53 53 THR CA C 53 63.390 67.031 -3.641 1
1 564 . 3 1 1 A 53 53 THR CB C 53 68.220 68.042 0.178 1
1 566 . 3 1 1 A 53 53 THR N N 53 112.860 117.635 -4.775 1
1 567 . 3 1 1 A 54 54 ASN H H 54 8.260 7.761 0.499 1
1 568 . 3 1 1 A 54 54 ASN HA H 54 4.110 4.660 -0.550 1
1 570 . 3 1 1 A 54 54 ASN C C 54 175.970 175.636 0.334 1
1 571 . 3 1 1 A 54 54 ASN CA C 54 53.300 53.266 0.034 1
1 572 . 3 1 1 A 54 54 ASN CB C 54 37.810 38.606 -0.796 1
1 573 . 3 1 1 A 54 54 ASN N N 54 119.690 116.211 3.479 1
1 574 . 3 1 1 A 55 55 GLY H H 55 7.960 8.187 -0.227 1
1 575 . 3 1 1 A 55 55 GLY HA2 H 55 4.010 3.954 0.056 1
1 576 . 3 1 1 A 55 55 GLY HA3 H 55 4.010 3.967 0.043 1
1 577 . 3 1 1 A 55 55 GLY C C 55 175.270 175.932 -0.662 1
1 578 . 3 1 1 A 55 55 GLY CA C 55 45.610 45.449 0.161 1
1 579 . 3 1 1 A 55 55 GLY N N 55 107.340 107.000 0.340 1
1 580 . 3 1 1 A 56 56 GLY H H 56 7.820 7.720 0.100 1
1 581 . 3 1 1 A 56 56 GLY HA2 H 56 3.970 3.937 0.033 1
1 582 . 3 1 1 A 56 56 GLY HA3 H 56 3.970 3.939 0.031 1
1 583 . 3 1 1 A 56 56 GLY C C 56 173.320 174.266 -0.946 1
1 584 . 3 1 1 A 56 56 GLY CA C 56 45.350 47.314 -1.964 1
1 585 . 3 1 1 A 56 56 GLY N N 56 107.080 107.634 -0.554 1
1 586 . 3 1 1 A 57 57 CYS H H 57 8.010 7.726 0.284 1
1 587 . 3 1 1 A 57 57 CYS HA H 57 4.870 4.709 0.161 1
1 590 . 3 1 1 A 57 57 CYS C C 57 175.610 174.560 1.050 1
1 591 . 3 1 1 A 57 57 CYS CA C 57 55.340 56.507 -1.167 1
1 592 . 3 1 1 A 57 57 CYS CB C 57 30.160 29.192 0.968 1
1 593 . 3 1 1 A 57 57 CYS N N 57 122.570 118.966 3.604 1
1 594 . 3 1 1 A 58 58 PRO HA H 58 4.320 4.294 0.026 1
1 601 . 3 1 1 A 58 58 PRO CA C 58 64.550 65.198 -0.648 1
1 602 . 3 1 1 A 58 58 PRO CB C 58 32.050 31.910 0.140 1
1 605 . 3 1 1 A 59 59 ILE H H 59 7.917 7.529 0.388 1
1 606 . 3 1 1 A 59 59 ILE HA H 59 3.550 3.838 -0.288 1
1 616 . 3 1 1 A 59 59 ILE C C 59 178.040 178.094 -0.054 1
1 617 . 3 1 1 A 59 59 ILE CA C 59 64.540 64.388 0.152 1
1 618 . 3 1 1 A 59 59 ILE CB C 59 38.160 38.087 0.073 1
1 622 . 3 1 1 A 59 59 ILE N N 59 120.680 116.713 3.967 1
1 623 . 3 1 1 A 60 60 CYS H H 60 8.920 8.303 0.617 1
1 624 . 3 1 1 A 60 60 CYS HA H 60 4.105 3.929 0.176 1
1 627 . 3 1 1 A 60 60 CYS C C 60 177.540 176.977 0.563 1
1 628 . 3 1 1 A 60 60 CYS CA C 60 66.000 63.224 2.776 1
1 629 . 3 1 1 A 60 60 CYS CB C 60 28.750 27.506 1.244 1
1 630 . 3 1 1 A 60 60 CYS N N 60 123.890 119.468 4.422 1
1 631 . 3 1 1 A 61 61 LYS H H 61 8.100 8.692 -0.592 1
1 632 . 3 1 1 A 61 61 LYS HA H 61 3.920 3.861 0.059 1
1 639 . 3 1 1 A 61 61 LYS C C 61 179.030 178.368 0.662 1
1 640 . 3 1 1 A 61 61 LYS CA C 61 59.610 59.636 -0.026 1
1 641 . 3 1 1 A 61 61 LYS CB C 61 32.040 32.539 -0.499 1
1 645 . 3 1 1 A 61 61 LYS N N 61 117.130 120.716 -3.586 1
1 646 . 3 1 1 A 62 62 GLN H H 62 7.010 8.573 -1.563 1
1 647 . 3 1 1 A 62 62 GLN HA H 62 4.150 4.124 0.026 1
1 652 . 3 1 1 A 62 62 GLN C C 62 178.340 178.096 0.244 1
1 653 . 3 1 1 A 62 62 GLN CA C 62 58.520 58.604 -0.084 1
1 654 . 3 1 1 A 62 62 GLN CB C 62 27.587 28.250 -0.663 1
1 656 . 3 1 1 A 62 62 GLN N N 62 117.000 118.522 -1.522 1
1 657 . 3 1 1 A 63 63 LEU H H 63 7.980 7.927 0.053 1
1 658 . 3 1 1 A 63 63 LEU HA H 63 4.160 3.979 0.181 1
1 667 . 3 1 1 A 63 63 LEU C C 63 179.060 178.125 0.935 1
1 668 . 3 1 1 A 63 63 LEU CA C 63 57.830 57.991 -0.161 1
1 669 . 3 1 1 A 63 63 LEU CB C 63 41.270 41.217 0.053 1
1 673 . 3 1 1 A 63 63 LEU N N 63 119.730 121.125 -1.395 1
1 674 . 3 1 1 A 64 64 ILE H H 64 8.481 8.763 -0.282 1
1 675 . 3 1 1 A 64 64 ILE HA H 64 3.650 3.299 0.351 1
1 685 . 3 1 1 A 64 64 ILE C C 64 179.930 177.781 2.149 1
1 686 . 3 1 1 A 64 64 ILE CA C 64 65.220 65.764 -0.544 1
1 687 . 3 1 1 A 64 64 ILE CB C 64 36.960 37.641 -0.681 1
1 691 . 3 1 1 A 64 64 ILE N N 64 120.350 119.612 0.738 1
1 692 . 3 1 1 A 65 65 ALA H H 65 7.300 7.755 -0.455 1
1 693 . 3 1 1 A 65 65 ALA HA H 65 4.200 4.014 0.186 1
1 697 . 3 1 1 A 65 65 ALA C C 65 180.010 180.168 -0.158 1
1 698 . 3 1 1 A 65 65 ALA CA C 65 54.940 55.405 -0.465 1
1 699 . 3 1 1 A 65 65 ALA CB C 65 18.010 18.615 -0.605 1
1 700 . 3 1 1 A 65 65 ALA N N 65 122.510 123.231 -0.721 1
1 701 . 3 1 1 A 66 66 LEU H H 66 8.120 8.336 -0.216 1
1 702 . 3 1 1 A 66 66 LEU HA H 66 4.100 4.288 -0.188 1
1 712 . 3 1 1 A 66 66 LEU C C 66 179.480 178.556 0.924 1
1 713 . 3 1 1 A 66 66 LEU CA C 66 57.540 57.971 -0.431 1
1 714 . 3 1 1 A 66 66 LEU CB C 66 41.940 41.380 0.560 1
1 718 . 3 1 1 A 66 66 LEU N N 66 115.490 120.362 -4.872 1
1 719 . 3 1 1 A 67 67 ALA H H 67 8.840 9.048 -0.208 1
1 720 . 3 1 1 A 67 67 ALA HA H 67 4.000 4.144 -0.144 1
1 724 . 3 1 1 A 67 67 ALA C C 67 179.000 179.654 -0.654 1
1 725 . 3 1 1 A 67 67 ALA CA C 67 55.490 55.317 0.173 1
1 726 . 3 1 1 A 67 67 ALA CB C 67 18.460 18.423 0.037 1
1 727 . 3 1 1 A 67 67 ALA N N 67 121.500 120.681 0.819 1
1 728 . 3 1 1 A 68 68 ALA H H 68 8.500 8.356 0.144 1
1 729 . 3 1 1 A 68 68 ALA HA H 68 4.160 3.982 0.178 1
1 733 . 3 1 1 A 68 68 ALA C C 68 179.070 179.517 -0.447 1
1 734 . 3 1 1 A 68 68 ALA CA C 68 55.290 55.118 0.172 1
1 735 . 3 1 1 A 68 68 ALA CB C 68 17.524 18.879 -1.355 1
1 736 . 3 1 1 A 68 68 ALA N N 68 120.100 119.903 0.197 1
1 737 . 3 1 1 A 69 69 TYR H H 69 7.850 7.840 0.010 1
1 738 . 3 1 1 A 69 69 TYR HA H 69 4.310 4.358 -0.048 1
1 741 . 3 1 1 A 69 69 TYR CA C 69 56.141 60.913 -4.772 1
1 742 . 3 1 1 A 69 69 TYR CB C 69 37.943 38.080 -0.137 1
1 743 . 3 1 1 A 69 69 TYR N N 69 118.930 116.006 2.924 1
1 744 . 3 1 1 A 70 70 HIS H H 70 7.960 8.053 -0.093 1
1 745 . 3 1 1 A 70 70 HIS HA H 70 4.510 4.320 0.190 1
1 748 . 3 1 1 A 70 70 HIS CA C 70 54.640 60.521 -5.881 1
1 749 . 3 1 1 A 70 70 HIS CB C 70 27.560 29.626 -2.066 1
1 750 . 3 1 1 A 70 70 HIS N N 70 125.790 119.649 6.141 1
1 751 . 3 1 1 A 71 71 ALA H H 71 9.190 9.450 -0.260 1
1 752 . 3 1 1 A 71 71 ALA HA H 71 3.960 3.962 -0.002 1
1 756 . 3 1 1 A 71 71 ALA C C 71 179.070 179.828 -0.758 1
1 757 . 3 1 1 A 71 71 ALA CA C 71 54.510 55.034 -0.524 1
1 758 . 3 1 1 A 71 71 ALA CB C 71 19.240 18.157 1.083 1
1 759 . 3 1 1 A 71 71 ALA N N 71 121.760 121.167 0.593 1
1 760 . 3 1 1 A 72 72 LYS H H 72 6.950 7.462 -0.512 1
1 761 . 3 1 1 A 72 72 LYS HA H 72 3.920 4.074 -0.154 1
1 770 . 3 1 1 A 72 72 LYS C C 72 176.750 179.084 -2.334 1
1 771 . 3 1 1 A 72 72 LYS CA C 72 57.690 58.861 -1.171 1
1 772 . 3 1 1 A 72 72 LYS CB C 72 31.720 32.741 -1.021 1
1 776 . 3 1 1 A 72 72 LYS N N 72 114.500 117.679 -3.179 1
1 777 . 3 1 1 A 73 73 HIS H H 73 7.140 8.232 -1.092 1
1 778 . 3 1 1 A 73 73 HIS HA H 73 4.830 4.195 0.635 1
1 781 . 3 1 1 A 73 73 HIS C C 73 173.590 175.951 -2.361 1
1 782 . 3 1 1 A 73 73 HIS CA C 73 54.070 59.781 -5.711 1
1 783 . 3 1 1 A 73 73 HIS CB C 73 29.640 29.695 -0.055 1
1 784 . 3 1 1 A 73 73 HIS N N 73 113.180 119.387 -6.207 1
1 785 . 3 1 1 A 74 74 CYS H H 74 7.020 8.278 -1.258 1
1 786 . 3 1 1 A 74 74 CYS HA H 74 4.140 4.303 -0.163 1
1 789 . 3 1 1 A 74 74 CYS C C 74 176.120 175.500 0.620 1
1 790 . 3 1 1 A 74 74 CYS CA C 74 59.829 58.586 1.243 1
1 791 . 3 1 1 A 74 74 CYS CB C 74 29.473 27.602 1.871 1
1 792 . 3 1 1 A 74 74 CYS N N 74 123.590 117.196 6.394 1
1 793 . 3 1 1 A 75 75 GLN H H 75 9.070 8.967 0.103 1
1 794 . 3 1 1 A 75 75 GLN HA H 75 4.705 4.339 0.366 1
1 798 . 3 1 1 A 75 75 GLN C C 75 175.620 175.325 0.295 1
1 799 . 3 1 1 A 75 75 GLN CA C 75 54.290 57.163 -2.873 1
1 800 . 3 1 1 A 75 75 GLN CB C 75 28.760 28.908 -0.148 1
1 802 . 3 1 1 A 75 75 GLN N N 75 128.650 127.965 0.685 1
1 803 . 3 1 1 A 76 76 GLU H H 76 8.260 7.667 0.593 1
1 804 . 3 1 1 A 76 76 GLU HA H 76 4.410 4.849 -0.439 1
1 809 . 3 1 1 A 76 76 GLU C C 76 176.700 175.531 1.169 1
1 810 . 3 1 1 A 76 76 GLU CA C 76 55.510 55.067 0.443 1
1 811 . 3 1 1 A 76 76 GLU CB C 76 29.860 33.107 -3.247 1
1 813 . 3 1 1 A 76 76 GLU N N 76 123.000 119.796 3.204 1
1 814 . 3 1 1 A 77 77 ASN H H 77 8.830 9.047 -0.217 1
1 815 . 3 1 1 A 77 77 ASN HA H 77 4.530 4.783 -0.253 1
1 818 . 3 1 1 A 77 77 ASN C C 77 175.700 175.092 0.608 1
1 819 . 3 1 1 A 77 77 ASN CA C 77 55.030 52.310 2.720 1
1 820 . 3 1 1 A 77 77 ASN CB C 77 38.030 37.058 0.972 1
1 821 . 3 1 1 A 77 77 ASN N N 77 125.100 124.413 0.687 1
1 822 . 3 1 1 A 78 78 LYS H H 78 8.660 8.463 0.197 1
1 823 . 3 1 1 A 78 78 LYS HA H 78 4.440 4.025 0.415 1
1 832 . 3 1 1 A 78 78 LYS C C 78 174.930 176.184 -1.254 1
1 833 . 3 1 1 A 78 78 LYS CA C 78 54.120 58.803 -4.683 1
1 834 . 3 1 1 A 78 78 LYS CB C 78 30.120 32.866 -2.746 1
1 838 . 3 1 1 A 78 78 LYS N N 78 120.580 125.354 -4.774 1
1 839 . 3 1 1 A 79 79 CYS H H 79 7.320 7.749 -0.429 1
1 840 . 3 1 1 A 79 79 CYS HA H 79 4.160 4.524 -0.364 1
1 843 . 3 1 1 A 79 79 CYS C C 79 176.230 175.956 0.274 1
1 844 . 3 1 1 A 79 79 CYS CA C 79 60.480 60.315 0.165 1
1 845 . 3 1 1 A 79 79 CYS CB C 79 28.440 27.378 1.062 1
1 846 . 3 1 1 A 79 79 CYS N N 79 124.350 117.439 6.911 1
1 847 . 3 1 1 A 80 80 PRO HA H 80 4.730 4.203 0.527 1
1 854 . 3 1 1 A 80 80 PRO CA C 80 62.580 65.913 -3.333 1
1 855 . 3 1 1 A 80 80 PRO CB C 80 31.540 31.154 0.386 1
1 858 . 3 1 1 A 81 81 VAL H H 81 9.030 7.818 1.212 1
1 859 . 3 1 1 A 81 81 VAL HA H 81 3.570 4.101 -0.531 1
1 867 . 3 1 1 A 81 81 VAL CA C 81 62.220 60.656 1.564 1
1 868 . 3 1 1 A 81 81 VAL CB C 81 30.990 32.934 -1.944 1
1 871 . 3 1 1 A 81 81 VAL N N 81 127.570 115.938 11.632 1
1 872 . 3 1 1 A 82 82 PRO HA H 82 4.860 4.124 0.736 1
1 879 . 3 1 1 A 82 82 PRO CA C 82 62.860 65.324 -2.464 1
1 880 . 3 1 1 A 82 82 PRO CB C 82 31.550 31.387 0.163 1
1 883 . 3 1 1 A 83 83 PHE H H 83 6.940 6.550 0.390 1
1 884 . 3 1 1 A 83 83 PHE HA H 83 4.460 4.321 0.139 1
1 887 . 3 1 1 A 83 83 PHE C C 83 177.240 178.406 -1.166 1
1 888 . 3 1 1 A 83 83 PHE CA C 83 59.880 60.666 -0.786 1
1 889 . 3 1 1 A 83 83 PHE CB C 83 37.550 38.279 -0.729 1
1 890 . 3 1 1 A 83 83 PHE N N 83 123.530 117.126 6.404 1
1 891 . 3 1 1 A 84 84 CYS H H 84 7.020 8.234 -1.214 1
1 892 . 3 1 1 A 84 84 CYS HA H 84 4.100 4.228 -0.128 1
1 895 . 3 1 1 A 84 84 CYS CA C 84 66.560 62.268 4.292 1
1 896 . 3 1 1 A 84 84 CYS CB C 84 29.770 26.996 2.774 1
1 897 . 3 1 1 A 84 84 CYS N N 84 111.010 118.430 -7.420 1
1 898 . 3 1 1 A 85 85 LEU H H 85 8.190 8.319 -0.129 1
1 899 . 3 1 1 A 85 85 LEU HA H 85 4.130 3.888 0.242 1
1 908 . 3 1 1 A 85 85 LEU C C 85 178.700 179.541 -0.841 1
1 909 . 3 1 1 A 85 85 LEU CA C 85 57.450 57.972 -0.522 1
1 910 . 3 1 1 A 85 85 LEU CB C 85 41.720 41.252 0.468 1
1 914 . 3 1 1 A 85 85 LEU N N 85 120.080 121.554 -1.474 1
1 915 . 3 1 1 A 86 86 ASN H H 86 7.740 8.095 -0.355 1
1 916 . 3 1 1 A 86 86 ASN HA H 86 4.530 4.615 -0.085 1
1 919 . 3 1 1 A 86 86 ASN C C 86 177.040 176.811 0.229 1
1 920 . 3 1 1 A 86 86 ASN CA C 86 55.510 56.531 -1.021 1
1 921 . 3 1 1 A 86 86 ASN CB C 86 38.650 38.391 0.259 1
1 922 . 3 1 1 A 86 86 ASN N N 86 115.410 118.498 -3.088 1
1 923 . 3 1 1 A 87 87 ILE H H 87 8.190 7.593 0.597 1
1 924 . 3 1 1 A 87 87 ILE HA H 87 3.960 3.983 -0.023 1
1 934 . 3 1 1 A 87 87 ILE C C 87 177.980 178.307 -0.327 1
1 935 . 3 1 1 A 87 87 ILE CA C 87 63.050 63.676 -0.626 1
1 936 . 3 1 1 A 87 87 ILE CB C 87 36.950 38.130 -1.180 1
1 940 . 3 1 1 A 87 87 ILE N N 87 120.100 119.107 0.993 1
1 941 . 3 1 1 A 88 88 LYS H H 88 8.300 9.437 -1.137 1
1 942 . 3 1 1 A 88 88 LYS HA H 88 4.160 3.946 0.214 1
1 949 . 3 1 1 A 88 88 LYS C C 88 179.730 178.797 0.933 1
1 950 . 3 1 1 A 88 88 LYS CA C 88 59.030 60.130 -1.100 1
1 951 . 3 1 1 A 88 88 LYS CB C 88 27.530 32.091 -4.561 1
1 953 . 3 1 1 A 88 88 LYS N N 88 118.760 119.379 -0.619 1
1 954 . 3 1 1 A 89 89 GLN H H 89 8.730 7.607 1.123 1
1 955 . 3 1 1 A 89 89 GLN HA H 89 4.440 4.140 0.300 1
1 958 . 3 1 1 A 89 89 GLN CA C 89 56.350 58.643 -2.293 1
1 959 . 3 1 1 A 89 89 GLN CB C 89 27.750 28.180 -0.430 1
1 961 . 3 1 1 A 89 89 GLN N N 89 122.660 119.462 3.198 1
1 978 . 3 2 2 B 2 2 GLU C C 2 176.270 176.540 -0.270 1
1 979 . 3 2 2 B 2 2 GLU CA C 2 56.070 59.210 -3.140 1
1 980 . 3 2 2 B 2 2 GLU CB C 2 29.100 30.208 -1.108 1
1 981 . 3 2 2 B 3 3 GLU HA H 3 4.650 4.401 0.249 1
1 986 . 3 2 2 B 3 3 GLU C C 3 176.270 176.888 -0.618 1
1 987 . 3 2 2 B 3 3 GLU CA C 3 53.970 57.644 -3.674 1
1 988 . 3 2 2 B 3 3 GLU CB C 3 29.200 32.309 -3.109 1
1 990 . 3 2 2 B 4 4 PRO HA H 4 4.510 4.290 0.220 1
1 997 . 3 2 2 B 4 4 PRO C C 4 181.100 177.152 3.948 1
1 998 . 3 2 2 B 4 4 PRO CA C 4 62.900 64.534 -1.634 1
1 999 . 3 2 2 B 4 4 PRO CB C 4 31.402 31.750 -0.348 1
1 1002 . 3 2 2 B 5 5 GLN H H 5 8.530 7.887 0.643 1
1 1003 . 3 2 2 B 5 5 GLN HA H 5 4.430 4.048 0.382 1
1 1007 . 3 2 2 B 5 5 GLN C C 5 176.100 175.166 0.934 1
1 1008 . 3 2 2 B 5 5 GLN CA C 5 53.450 56.339 -2.889 1
1 1009 . 3 2 2 B 5 5 GLN CB C 5 28.990 26.891 2.099 1
1 1011 . 3 2 2 B 5 5 GLN N N 5 120.510 116.159 4.351 1
1 1012 . 3 2 2 B 6 6 SER H H 6 8.330 7.745 0.585 1
1 1013 . 3 2 2 B 6 6 SER HA H 6 4.500 4.341 0.159 1
1 1015 . 3 2 2 B 6 6 SER C C 6 173.920 174.380 -0.460 1
1 1016 . 3 2 2 B 6 6 SER CA C 6 57.860 60.087 -2.227 1
1 1017 . 3 2 2 B 6 6 SER CB C 6 63.230 63.555 -0.325 1
1 1018 . 3 2 2 B 6 6 SER N N 6 117.080 113.968 3.112 1
1 1019 . 3 2 2 B 7 7 ASP H H 7 8.380 9.191 -0.811 1
1 1020 . 3 2 2 B 7 7 ASP HA H 7 4.960 4.486 0.474 1
1 1023 . 3 2 2 B 7 7 ASP C C 7 174.780 176.226 -1.446 1
1 1024 . 3 2 2 B 7 7 ASP CA C 7 51.960 57.225 -5.265 1
1 1025 . 3 2 2 B 7 7 ASP CB C 7 40.850 41.176 -0.326 1
1 1026 . 3 2 2 B 7 7 ASP N N 7 123.030 125.812 -2.782 1
1 1027 . 3 2 2 B 8 8 PRO HA H 8 4.450 4.331 0.119 1
1 1034 . 3 2 2 B 8 8 PRO C C 8 177.080 178.331 -1.251 1
1 1035 . 3 2 2 B 8 8 PRO CA C 8 63.520 65.690 -2.170 1
1 1036 . 3 2 2 B 8 8 PRO CB C 8 31.612 30.734 0.878 1
1 1039 . 3 2 2 B 9 9 SER H H 9 8.520 8.072 0.448 1
1 1040 . 3 2 2 B 9 9 SER HA H 9 4.450 4.464 -0.014 1
1 1042 . 3 2 2 B 9 9 SER C C 9 174.420 174.483 -0.063 1
1 1043 . 3 2 2 B 9 9 SER CA C 9 58.590 58.685 -0.095 1
1 1044 . 3 2 2 B 9 9 SER CB C 9 63.330 64.347 -1.017 1
1 1045 . 3 2 2 B 9 9 SER N N 9 116.010 110.051 5.959 1
1 1046 . 3 2 2 B 10 10 VAL H H 10 7.771 7.608 0.163 1
1 1047 . 3 2 2 B 10 10 VAL HA H 10 4.200 4.098 0.102 1
1 1055 . 3 2 2 B 10 10 VAL C C 10 174.430 174.777 -0.347 1
1 1056 . 3 2 2 B 10 10 VAL CA C 10 61.330 61.978 -0.648 1
1 1057 . 3 2 2 B 10 10 VAL CB C 10 32.340 30.683 1.657 1
1 1060 . 3 2 2 B 10 10 VAL N N 10 121.350 123.417 -2.067 1
1 1061 . 3 2 2 B 11 11 GLU H H 11 8.000 8.661 -0.661 1
1 1062 . 3 2 2 B 11 11 GLU HA H 11 4.660 4.802 -0.142 1
1 1067 . 3 2 2 B 11 11 GLU C C 11 173.740 174.428 -0.688 1
1 1068 . 3 2 2 B 11 11 GLU CA C 11 53.130 52.613 0.517 1
1 1069 . 3 2 2 B 11 11 GLU CB C 11 29.826 30.538 -0.712 1
1 1071 . 3 2 2 B 11 11 GLU N N 11 125.070 126.879 -1.809 1
1 1072 . 3 2 2 B 12 12 PRO HA H 12 4.520 4.418 0.102 1
1 1079 . 3 2 2 B 12 12 PRO CA C 12 63.570 63.351 0.219 1
1 1080 . 3 2 2 B 12 12 PRO CB C 12 31.350 31.684 -0.334 1
1 1083 . 3 2 2 B 13 13 PRO HA H 13 4.510 4.503 0.007 1
1 1090 . 3 2 2 B 13 13 PRO C C 13 175.980 177.275 -1.295 1
1 1091 . 3 2 2 B 13 13 PRO CB C 13 31.720 32.505 -0.785 1
1 1094 . 3 2 2 B 14 14 LEU H H 14 7.900 8.957 -1.057 1
1 1095 . 3 2 2 B 14 14 LEU HA H 14 4.480 4.498 -0.018 1
1 1101 . 3 2 2 B 14 14 LEU C C 14 177.260 177.146 0.114 1
1 1102 . 3 2 2 B 14 14 LEU CA C 14 52.290 54.768 -2.478 1
1 1103 . 3 2 2 B 14 14 LEU CB C 14 41.270 42.452 -1.182 1
1 1106 . 3 2 2 B 14 14 LEU N N 14 120.860 121.832 -0.972 1
1 1107 . 3 2 2 B 15 15 SER H H 15 8.620 8.415 0.205 1
1 1108 . 3 2 2 B 15 15 SER HA H 15 4.510 4.532 -0.022 1
1 1111 . 3 2 2 B 15 15 SER C C 15 175.040 174.393 0.647 1
1 1112 . 3 2 2 B 15 15 SER CA C 15 57.330 60.538 -3.208 1
1 1113 . 3 2 2 B 15 15 SER CB C 15 63.960 61.624 2.336 1
1 1114 . 3 2 2 B 15 15 SER N N 15 117.360 113.824 3.536 1
1 1115 . 3 2 2 B 16 16 GLN H H 16 8.700 8.009 0.691 1
1 1116 . 3 2 2 B 16 16 GLN HA H 16 4.400 4.668 -0.268 1
1 1120 . 3 2 2 B 16 16 GLN C C 16 176.280 176.438 -0.158 1
1 1121 . 3 2 2 B 16 16 GLN CA C 16 56.170 55.286 0.884 1
1 1122 . 3 2 2 B 16 16 GLN CB C 16 29.310 29.282 0.028 1
1 1124 . 3 2 2 B 16 16 GLN N N 16 122.480 118.622 3.858 1
1 1125 . 3 2 2 B 18 18 THR H H 18 7.860 8.365 -0.505 1
1 1126 . 3 2 2 B 18 18 THR HA H 18 4.080 3.992 0.088 1
1 1131 . 3 2 2 B 18 18 THR C C 18 175.900 176.484 -0.584 1
1 1132 . 3 2 2 B 18 18 THR CA C 18 66.280 66.599 -0.319 1
1 1133 . 3 2 2 B 18 18 THR CB C 18 67.550 68.626 -1.076 1
1 1135 . 3 2 2 B 18 18 THR N N 18 116.790 114.956 1.834 1
1 1136 . 3 2 2 B 19 19 PHE H H 19 8.640 8.689 -0.049 1
1 1137 . 3 2 2 B 19 19 PHE HA H 19 4.340 4.430 -0.090 1
1 1140 . 3 2 2 B 19 19 PHE C C 19 176.340 178.350 -2.010 1
1 1141 . 3 2 2 B 19 19 PHE CA C 19 59.680 61.181 -1.501 1
1 1142 . 3 2 2 B 19 19 PHE CB C 19 38.070 39.099 -1.029 1
1 1143 . 3 2 2 B 19 19 PHE N N 19 120.710 120.808 -0.098 1
1 1144 . 3 2 2 B 20 20 SER H H 20 8.260 9.346 -1.086 1
1 1145 . 3 2 2 B 20 20 SER C C 20 176.100 176.705 -0.605 1
1 1146 . 3 2 2 B 20 20 SER CA C 20 61.280 61.804 -0.524 1
1 1147 . 3 2 2 B 20 20 SER CB C 20 61.980 63.312 -1.332 1
1 1148 . 3 2 2 B 20 20 SER N N 20 114.000 114.657 -0.657 1
1 1149 . 3 2 2 B 21 21 ASP H H 21 7.660 7.929 -0.269 1
1 1150 . 3 2 2 B 21 21 ASP HA H 21 4.520 4.323 0.197 1
1 1153 . 3 2 2 B 21 21 ASP C C 21 177.890 178.703 -0.813 1
1 1154 . 3 2 2 B 21 21 ASP CA C 21 56.070 57.240 -1.170 1
1 1155 . 3 2 2 B 21 21 ASP CB C 21 40.020 40.339 -0.319 1
1 1156 . 3 2 2 B 21 21 ASP N N 21 120.570 121.137 -0.567 1
1 1157 . 3 2 2 B 22 22 LEU H H 22 7.990 7.997 -0.007 1
1 1158 . 3 2 2 B 22 22 LEU HA H 22 3.940 4.013 -0.073 1
1 1165 . 3 2 2 B 22 22 LEU C C 22 178.390 178.944 -0.554 1
1 1166 . 3 2 2 B 22 22 LEU CA C 22 57.440 58.437 -0.997 1
1 1167 . 3 2 2 B 22 22 LEU CB C 22 41.270 41.919 -0.649 1
1 1170 . 3 2 2 B 22 22 LEU N N 22 120.860 119.734 1.126 1
1 1171 . 3 2 2 B 23 23 TRP H H 23 8.920 8.007 0.913 1
1 1172 . 3 2 2 B 23 23 TRP HA H 23 4.200 4.641 -0.441 1
1 1175 . 3 2 2 B 23 23 TRP C C 23 178.090 177.164 0.926 1
1 1176 . 3 2 2 B 23 23 TRP CA C 23 59.310 58.463 0.847 1
1 1177 . 3 2 2 B 23 23 TRP CB C 23 28.550 29.172 -0.622 1
1 1178 . 3 2 2 B 23 23 TRP N N 23 119.580 116.876 2.704 1
1 1179 . 3 2 2 B 24 24 LYS H H 24 7.380 6.940 0.440 1
1 1180 . 3 2 2 B 24 24 LYS HA H 24 4.090 3.729 0.361 1
1 1189 . 3 2 2 B 24 24 LYS C C 24 177.360 177.291 0.069 1
1 1190 . 3 2 2 B 24 24 LYS CA C 24 57.750 56.424 1.326 1
1 1191 . 3 2 2 B 24 24 LYS CB C 24 31.980 31.897 0.083 1
1 1195 . 3 2 2 B 24 24 LYS N N 24 116.010 119.000 -2.990 1
1 1196 . 3 2 2 B 25 25 LEU H H 25 7.700 7.205 0.495 1
1 1197 . 3 2 2 B 25 25 LEU HA H 25 4.330 4.251 0.079 1
1 1207 . 3 2 2 B 25 25 LEU C C 25 177.290 176.876 0.414 1
1 1208 . 3 2 2 B 25 25 LEU CA C 25 54.920 54.517 0.403 1
1 1209 . 3 2 2 B 25 25 LEU CB C 25 42.220 41.445 0.775 1
1 1213 . 3 2 2 B 25 25 LEU N N 25 118.160 117.185 0.975 1
1 1214 . 3 2 2 B 26 26 LEU H H 26 7.350 7.271 0.079 1
1 1215 . 3 2 2 B 26 26 LEU HA H 26 4.540 4.214 0.326 1
1 1225 . 3 2 2 B 26 26 LEU C C 26 175.090 176.863 -1.773 1
1 1226 . 3 2 2 B 26 26 LEU CA C 26 53.130 53.534 -0.404 1
1 1227 . 3 2 2 B 26 26 LEU CB C 26 40.650 42.790 -2.140 1
1 1231 . 3 2 2 B 26 26 LEU N N 26 120.260 123.357 -3.097 1
1 1232 . 3 2 2 B 27 27 PRO HA H 27 4.550 4.322 0.228 1
1 1239 . 3 2 2 B 27 27 PRO C C 27 177.410 176.143 1.267 1
1 1240 . 3 2 2 B 27 27 PRO CA C 27 62.420 65.042 -2.622 1
1 1241 . 3 2 2 B 27 27 PRO CB C 27 31.080 31.989 -0.909 1
1 1244 . 3 2 2 B 28 28 GLU H H 28 8.670 7.554 1.116 1
1 1245 . 3 2 2 B 28 28 GLU HA H 28 4.210 4.628 -0.418 1
1 1250 . 3 2 2 B 28 28 GLU C C 28 176.540 174.307 2.233 1
1 1251 . 3 2 2 B 28 28 GLU CA C 28 57.020 54.832 2.188 1
1 1252 . 3 2 2 B 28 28 GLU CB C 28 28.980 31.064 -2.084 1
1 1254 . 3 2 2 B 28 28 GLU N N 28 119.490 112.321 7.169 1
1 1255 . 3 2 2 B 29 29 ASN H H 29 8.220 8.665 -0.445 1
1 1256 . 3 2 2 B 29 29 ASN HA H 29 4.720 5.064 -0.344 1
1 1259 . 3 2 2 B 29 29 ASN C C 29 174.980 174.221 0.759 1
1 1260 . 3 2 2 B 29 29 ASN CA C 29 53.130 51.834 1.296 1
1 1261 . 3 2 2 B 29 29 ASN CB C 29 38.350 38.752 -0.402 1
1 1262 . 3 2 2 B 29 29 ASN N N 29 118.090 118.734 -0.644 1
1 1263 . 3 2 2 B 30 30 ASN H H 30 8.260 8.728 -0.468 1
1 1264 . 3 2 2 B 30 30 ASN HA H 30 4.740 4.610 0.130 1
1 1267 . 3 2 2 B 30 30 ASN C C 30 175.120 175.501 -0.381 1
1 1268 . 3 2 2 B 30 30 ASN CA C 30 53.230 53.909 -0.679 1
1 1269 . 3 2 2 B 30 30 ASN CB C 30 38.550 38.634 -0.084 1
1 1270 . 3 2 2 B 30 30 ASN N N 30 118.720 123.534 -4.814 1
1 1271 . 3 2 2 B 31 31 VAL H H 31 8.010 8.979 -0.969 1
1 1272 . 3 2 2 B 31 31 VAL HA H 31 4.150 4.335 -0.185 1
1 1277 . 3 2 2 B 31 31 VAL C C 31 175.990 175.759 0.231 1
1 1278 . 3 2 2 B 31 31 VAL CA C 31 62.270 62.087 0.183 1
1 1279 . 3 2 2 B 31 31 VAL CB C 31 31.820 33.018 -1.198 1
1 1281 . 3 2 2 B 31 31 VAL N N 31 118.920 123.497 -4.577 1
1 1282 . 3 2 2 B 32 32 LEU H H 32 8.190 8.439 -0.249 1
1 1283 . 3 2 2 B 32 32 LEU HA H 32 4.420 4.427 -0.007 1
1 1292 . 3 2 2 B 32 32 LEU C C 32 176.960 177.380 -0.420 1
1 1293 . 3 2 2 B 32 32 LEU CA C 32 54.490 54.825 -0.335 1
1 1294 . 3 2 2 B 32 32 LEU CB C 32 41.800 41.931 -0.131 1
1 1298 . 3 2 2 B 32 32 LEU N N 32 123.760 127.321 -3.561 1
1 1299 . 3 2 2 B 33 33 SER H H 33 7.920 7.650 0.270 1
1 1300 . 3 2 2 B 33 33 SER HA H 33 4.790 4.423 0.367 1
1 1303 . 3 2 2 B 33 33 SER C C 33 172.710 173.016 -0.306 1
1 1304 . 3 2 2 B 33 33 SER CA C 33 55.970 57.837 -1.867 1
1 1305 . 3 2 2 B 33 33 SER CB C 33 63.020 63.487 -0.467 1
1 1306 . 3 2 2 B 33 33 SER N N 33 117.150 116.954 0.196 1
1 1307 . 3 2 2 B 34 34 PRO HA H 34 4.510 4.585 -0.075 1
1 1314 . 3 2 2 B 34 34 PRO C C 34 176.750 175.674 1.076 1
1 1315 . 3 2 2 B 34 34 PRO CA C 34 62.690 62.697 -0.007 1
1 1316 . 3 2 2 B 34 34 PRO CB C 34 31.420 32.779 -1.359 1
1 1319 . 3 2 2 B 35 35 LEU H H 35 8.200 8.264 -0.064 1
1 1320 . 3 2 2 B 35 35 LEU HA H 35 4.620 4.938 -0.318 1
1 1326 . 3 2 2 B 35 35 LEU C C 35 175.560 174.677 0.883 1
1 1327 . 3 2 2 B 35 35 LEU CA C 35 52.710 51.032 1.678 1
1 1328 . 3 2 2 B 35 35 LEU CB C 35 41.280 41.661 -0.381 1
1 1331 . 3 2 2 B 35 35 LEU N N 35 123.000 123.042 -0.042 1
1 1332 . 3 2 2 B 36 36 PRO HA H 36 4.850 4.542 0.308 1
1 1339 . 3 2 2 B 36 36 PRO C C 36 176.970 177.827 -0.857 1
1 1340 . 3 2 2 B 36 36 PRO CA C 36 62.690 62.917 -0.227 1
1 1341 . 3 2 2 B 36 36 PRO CB C 36 31.420 32.586 -1.166 1
1 1344 . 3 2 2 B 37 37 SER H H 37 8.280 8.704 -0.424 1
1 1345 . 3 2 2 B 37 37 SER HA H 37 4.520 4.102 0.418 1
1 1347 . 3 2 2 B 37 37 SER C C 37 174.580 174.910 -0.330 1
1 1348 . 3 2 2 B 37 37 SER CA C 37 55.870 61.390 -5.520 1
1 1349 . 3 2 2 B 37 37 SER CB C 37 63.360 63.344 0.016 1
1 1350 . 3 2 2 B 37 37 SER N N 37 115.170 117.872 -2.702 1
1 1351 . 3 2 2 B 38 38 GLN H H 38 8.310 7.636 0.674 1
1 1352 . 3 2 2 B 38 38 GLN HA H 38 4.410 4.689 -0.279 1
1 1356 . 3 2 2 B 38 38 GLN C C 38 174.650 174.858 -0.208 1
1 1357 . 3 2 2 B 38 38 GLN CA C 38 55.550 54.790 0.760 1
1 1358 . 3 2 2 B 38 38 GLN CB C 38 29.190 30.558 -1.368 1
1 1360 . 3 2 2 B 38 38 GLN N N 38 122.270 119.885 2.385 1
1 1 . 4 1 1 A 2 2 THR C C 2 174.280 175.276 -0.996 1
1 2 . 4 1 1 A 2 2 THR CA C 2 61.820 65.411 -3.591 1
1 3 . 4 1 1 A 2 2 THR CB C 2 69.660 68.656 1.004 1
1 4 . 4 1 1 A 3 3 GLN H H 3 8.502 7.679 0.823 1
1 5 . 4 1 1 A 3 3 GLN HA H 3 4.485 4.140 0.345 1
1 9 . 4 1 1 A 3 3 GLN C C 3 175.680 175.825 -0.145 1
1 10 . 4 1 1 A 3 3 GLN CA C 3 55.490 57.238 -1.748 1
1 11 . 4 1 1 A 3 3 GLN CB C 3 28.570 29.138 -0.568 1
1 13 . 4 1 1 A 3 3 GLN N N 3 123.346 123.484 -0.138 1
1 14 . 4 1 1 A 4 4 SER H H 4 8.586 8.662 -0.076 1
1 15 . 4 1 1 A 4 4 SER HA H 4 4.860 4.691 0.169 1
1 18 . 4 1 1 A 4 4 SER C C 4 173.240 174.046 -0.806 1
1 19 . 4 1 1 A 4 4 SER CA C 4 56.280 56.175 0.105 1
1 20 . 4 1 1 A 4 4 SER CB C 4 63.080 65.867 -2.787 1
1 21 . 4 1 1 A 4 4 SER N N 4 119.430 117.702 1.728 1
1 22 . 4 1 1 A 5 5 PRO HA H 5 4.490 4.218 0.272 1
1 29 . 4 1 1 A 5 5 PRO C C 5 178.020 178.412 -0.392 1
1 30 . 4 1 1 A 5 5 PRO CA C 5 63.740 65.342 -1.602 1
1 31 . 4 1 1 A 5 5 PRO CB C 5 30.120 31.634 -1.514 1
1 34 . 4 1 1 A 6 6 GLY H H 6 8.420 8.414 0.006 1
1 35 . 4 1 1 A 6 6 GLY HA3 H 6 3.980 3.878 0.102 1
1 36 . 4 1 1 A 6 6 GLY C C 6 174.600 175.227 -0.627 1
1 37 . 4 1 1 A 6 6 GLY CA C 6 45.580 46.750 -1.170 1
1 38 . 4 1 1 A 6 6 GLY N N 6 108.250 105.364 2.886 1
1 39 . 4 1 1 A 7 7 ASP H H 7 8.080 8.343 -0.263 1
1 40 . 4 1 1 A 7 7 ASP HA H 7 4.660 4.473 0.187 1
1 42 . 4 1 1 A 7 7 ASP C C 7 177.440 178.307 -0.867 1
1 43 . 4 1 1 A 7 7 ASP CA C 7 54.960 56.341 -1.381 1
1 44 . 4 1 1 A 7 7 ASP CB C 7 40.740 40.772 -0.032 1
1 45 . 4 1 1 A 7 7 ASP N N 7 121.210 121.960 -0.750 1
1 46 . 4 1 1 A 8 8 SER H H 8 8.363 8.010 0.353 1
1 47 . 4 1 1 A 8 8 SER HA H 8 4.330 4.204 0.126 1
1 49 . 4 1 1 A 8 8 SER C C 8 177.520 177.169 0.351 1
1 50 . 4 1 1 A 8 8 SER CA C 8 59.990 61.173 -1.183 1
1 51 . 4 1 1 A 8 8 SER CB C 8 62.540 63.108 -0.568 1
1 52 . 4 1 1 A 8 8 SER N N 8 117.020 115.111 1.909 1
1 53 . 4 1 1 A 9 9 ARG H H 9 8.270 8.298 -0.028 1
1 54 . 4 1 1 A 9 9 ARG HA H 9 4.820 4.146 0.674 1
1 59 . 4 1 1 A 9 9 ARG C C 9 177.800 178.839 -1.039 1
1 60 . 4 1 1 A 9 9 ARG CA C 9 58.170 58.862 -0.692 1
1 61 . 4 1 1 A 9 9 ARG CB C 9 29.490 29.774 -0.284 1
1 64 . 4 1 1 A 9 9 ARG N N 9 123.050 121.811 1.239 1
1 65 . 4 1 1 A 10 10 ARG H H 10 8.030 7.427 0.603 1
1 66 . 4 1 1 A 10 10 ARG HA H 10 4.100 4.036 0.064 1
1 73 . 4 1 1 A 10 10 ARG C C 10 177.900 178.727 -0.827 1
1 74 . 4 1 1 A 10 10 ARG CA C 10 57.100 58.943 -1.843 1
1 75 . 4 1 1 A 10 10 ARG CB C 10 29.490 29.828 -0.338 1
1 78 . 4 1 1 A 10 10 ARG N N 10 119.730 118.988 0.742 1
1 79 . 4 1 1 A 11 11 LEU H H 11 8.100 8.421 -0.321 1
1 80 . 4 1 1 A 11 11 LEU HA H 11 4.220 4.094 0.126 1
1 87 . 4 1 1 A 11 11 LEU C C 11 178.600 179.251 -0.651 1
1 88 . 4 1 1 A 11 11 LEU CA C 11 57.100 56.968 0.132 1
1 89 . 4 1 1 A 11 11 LEU CB C 11 41.270 41.735 -0.465 1
1 92 . 4 1 1 A 11 11 LEU N N 11 120.770 120.440 0.330 1
1 93 . 4 1 1 A 12 12 SER H H 12 8.052 8.307 -0.255 1
1 94 . 4 1 1 A 12 12 SER HA H 12 4.250 4.153 0.097 1
1 97 . 4 1 1 A 12 12 SER C C 12 178.790 176.490 2.300 1
1 98 . 4 1 1 A 12 12 SER CA C 12 60.960 61.445 -0.485 1
1 99 . 4 1 1 A 12 12 SER CB C 12 62.580 62.913 -0.333 1
1 100 . 4 1 1 A 12 12 SER N N 12 115.760 114.386 1.374 1
1 101 . 4 1 1 A 13 13 ILE H H 13 8.000 7.710 0.290 1
1 102 . 4 1 1 A 13 13 ILE HA H 13 3.730 3.824 -0.094 1
1 112 . 4 1 1 A 13 13 ILE C C 13 179.740 178.014 1.726 1
1 113 . 4 1 1 A 13 13 ILE CA C 13 64.920 64.391 0.529 1
1 114 . 4 1 1 A 13 13 ILE CB C 13 37.200 37.223 -0.023 1
1 118 . 4 1 1 A 13 13 ILE N N 13 123.290 118.789 4.501 1
1 119 . 4 1 1 A 14 14 GLN H H 14 8.110 8.036 0.074 1
1 120 . 4 1 1 A 14 14 GLN HA H 14 4.030 3.915 0.115 1
1 124 . 4 1 1 A 14 14 GLN C C 14 178.850 178.534 0.316 1
1 125 . 4 1 1 A 14 14 GLN CA C 14 59.170 59.286 -0.116 1
1 126 . 4 1 1 A 14 14 GLN CB C 14 27.810 28.188 -0.378 1
1 128 . 4 1 1 A 14 14 GLN N N 14 119.020 121.048 -2.028 1
1 129 . 4 1 1 A 15 15 ARG H H 15 8.360 7.796 0.564 1
1 130 . 4 1 1 A 15 15 ARG HA H 15 3.980 3.990 -0.010 1
1 137 . 4 1 1 A 15 15 ARG C C 15 177.020 178.782 -1.762 1
1 138 . 4 1 1 A 15 15 ARG CA C 15 59.030 59.063 -0.033 1
1 139 . 4 1 1 A 15 15 ARG CB C 15 29.460 30.099 -0.639 1
1 142 . 4 1 1 A 15 15 ARG N N 15 118.820 119.310 -0.490 1
1 143 . 4 1 1 A 16 16 ALA H H 16 8.000 7.684 0.316 1
1 144 . 4 1 1 A 16 16 ALA HA H 16 4.230 4.065 0.165 1
1 148 . 4 1 1 A 16 16 ALA C C 16 179.750 179.961 -0.211 1
1 149 . 4 1 1 A 16 16 ALA CA C 16 55.190 54.985 0.205 1
1 150 . 4 1 1 A 16 16 ALA CB C 16 18.020 18.181 -0.161 1
1 151 . 4 1 1 A 16 16 ALA N N 16 123.800 121.658 2.142 1
1 152 . 4 1 1 A 17 17 ILE H H 17 8.490 9.203 -0.713 1
1 153 . 4 1 1 A 17 17 ILE HA H 17 3.760 3.537 0.223 1
1 163 . 4 1 1 A 17 17 ILE C C 17 178.300 177.994 0.306 1
1 164 . 4 1 1 A 17 17 ILE CA C 17 64.710 65.550 -0.840 1
1 165 . 4 1 1 A 17 17 ILE CB C 17 36.560 37.504 -0.944 1
1 169 . 4 1 1 A 17 17 ILE N N 17 118.260 118.944 -0.684 1
1 170 . 4 1 1 A 18 18 GLN H H 18 8.230 9.062 -0.832 1
1 171 . 4 1 1 A 18 18 GLN HA H 18 4.110 3.951 0.159 1
1 175 . 4 1 1 A 18 18 GLN C C 18 178.950 178.036 0.914 1
1 176 . 4 1 1 A 18 18 GLN CA C 18 59.030 58.921 0.109 1
1 177 . 4 1 1 A 18 18 GLN CB C 18 27.540 28.128 -0.588 1
1 179 . 4 1 1 A 18 18 GLN N N 18 118.800 118.727 0.073 1
1 180 . 4 1 1 A 19 19 SER H H 19 8.230 7.665 0.565 1
1 181 . 4 1 1 A 19 19 SER HA H 19 4.430 4.491 -0.061 1
1 184 . 4 1 1 A 19 19 SER C C 19 176.120 176.978 -0.858 1
1 185 . 4 1 1 A 19 19 SER CA C 19 61.600 61.238 0.362 1
1 186 . 4 1 1 A 19 19 SER CB C 19 62.580 62.947 -0.367 1
1 187 . 4 1 1 A 19 19 SER N N 19 116.040 115.337 0.703 1
1 188 . 4 1 1 A 20 20 LEU H H 20 8.250 9.336 -1.086 1
1 189 . 4 1 1 A 20 20 LEU HA H 20 4.090 4.071 0.019 1
1 199 . 4 1 1 A 20 20 LEU C C 20 177.180 178.491 -1.311 1
1 200 . 4 1 1 A 20 20 LEU CA C 20 58.390 58.024 0.366 1
1 201 . 4 1 1 A 20 20 LEU CB C 20 41.810 41.798 0.012 1
1 205 . 4 1 1 A 20 20 LEU N N 20 125.460 123.285 2.175 1
1 206 . 4 1 1 A 21 21 VAL H H 21 8.520 9.191 -0.671 1
1 207 . 4 1 1 A 21 21 VAL HA H 21 3.340 3.538 -0.198 1
1 212 . 4 1 1 A 21 21 VAL C C 21 178.430 178.172 0.258 1
1 213 . 4 1 1 A 21 21 VAL CA C 21 66.510 66.336 0.174 1
1 214 . 4 1 1 A 21 21 VAL CB C 21 31.270 31.331 -0.061 1
1 217 . 4 1 1 A 21 21 VAL N N 21 118.590 118.887 -0.297 1
1 218 . 4 1 1 A 22 22 HIS H H 22 7.950 7.726 0.224 1
1 219 . 4 1 1 A 22 22 HIS HA H 22 4.260 4.191 0.069 1
1 222 . 4 1 1 A 22 22 HIS C C 22 178.020 177.733 0.287 1
1 223 . 4 1 1 A 22 22 HIS CA C 22 59.770 59.264 0.506 1
1 224 . 4 1 1 A 22 22 HIS CB C 22 27.230 30.171 -2.941 1
1 225 . 4 1 1 A 22 22 HIS N N 22 115.760 119.590 -3.830 1
1 226 . 4 1 1 A 23 23 ALA H H 23 8.580 9.403 -0.823 1
1 227 . 4 1 1 A 23 23 ALA HA H 23 4.190 3.877 0.313 1
1 231 . 4 1 1 A 23 23 ALA C C 23 179.210 178.855 0.355 1
1 232 . 4 1 1 A 23 23 ALA CA C 23 54.420 54.505 -0.085 1
1 233 . 4 1 1 A 23 23 ALA CB C 23 19.010 18.105 0.905 1
1 234 . 4 1 1 A 23 23 ALA N N 23 121.190 120.991 0.199 1
1 235 . 4 1 1 A 24 24 ALA H H 24 8.240 7.806 0.434 1
1 236 . 4 1 1 A 24 24 ALA HA H 24 4.110 4.174 -0.064 1
1 240 . 4 1 1 A 24 24 ALA C C 24 177.610 178.071 -0.461 1
1 241 . 4 1 1 A 24 24 ALA CA C 24 53.540 52.637 0.903 1
1 242 . 4 1 1 A 24 24 ALA CB C 24 18.060 19.224 -1.164 1
1 243 . 4 1 1 A 24 24 ALA N N 24 116.530 118.614 -2.084 1
1 244 . 4 1 1 A 25 25 GLN H H 25 7.230 7.814 -0.584 1
1 245 . 4 1 1 A 25 25 GLN HA H 25 4.540 4.439 0.101 1
1 250 . 4 1 1 A 25 25 GLN C C 25 174.530 176.184 -1.654 1
1 251 . 4 1 1 A 25 25 GLN CA C 25 54.400 55.912 -1.512 1
1 252 . 4 1 1 A 25 25 GLN CB C 25 30.090 31.318 -1.228 1
1 254 . 4 1 1 A 25 25 GLN N N 25 112.050 114.388 -2.338 1
1 255 . 4 1 1 A 26 26 CYS H H 26 7.320 8.379 -1.059 1
1 256 . 4 1 1 A 26 26 CYS HA H 26 3.920 4.428 -0.508 1
1 259 . 4 1 1 A 26 26 CYS C C 26 176.230 173.944 2.286 1
1 260 . 4 1 1 A 26 26 CYS CA C 26 60.480 57.548 2.932 1
1 261 . 4 1 1 A 26 26 CYS CB C 26 28.470 26.671 1.799 1
1 262 . 4 1 1 A 26 26 CYS N N 26 124.310 120.047 4.263 1
1 263 . 4 1 1 A 27 27 ARG H H 27 8.840 8.575 0.265 1
1 264 . 4 1 1 A 27 27 ARG HA H 27 4.650 4.318 0.332 1
1 271 . 4 1 1 A 27 27 ARG C C 27 175.270 176.116 -0.846 1
1 272 . 4 1 1 A 27 27 ARG CA C 27 54.320 54.987 -0.667 1
1 273 . 4 1 1 A 27 27 ARG CB C 27 29.490 28.388 1.102 1
1 276 . 4 1 1 A 27 27 ARG N N 27 129.620 128.195 1.425 1
1 277 . 4 1 1 A 28 28 ASN H H 28 7.930 7.841 0.089 1
1 278 . 4 1 1 A 28 28 ASN HA H 28 4.890 4.499 0.391 1
1 281 . 4 1 1 A 28 28 ASN C C 28 175.240 175.122 0.118 1
1 282 . 4 1 1 A 28 28 ASN CA C 28 51.540 56.052 -4.512 1
1 283 . 4 1 1 A 28 28 ASN CB C 28 38.460 39.201 -0.741 1
1 284 . 4 1 1 A 28 28 ASN N N 28 120.580 123.579 -2.999 1
1 285 . 4 1 1 A 29 29 ALA H H 29 9.100 7.889 1.211 1
1 286 . 4 1 1 A 29 29 ALA HA H 29 4.120 3.989 0.131 1
1 290 . 4 1 1 A 29 29 ALA C C 29 178.010 177.372 0.638 1
1 291 . 4 1 1 A 29 29 ALA CA C 29 54.040 55.182 -1.142 1
1 292 . 4 1 1 A 29 29 ALA CB C 29 18.020 16.926 1.094 1
1 293 . 4 1 1 A 29 29 ALA N N 29 130.290 120.631 9.659 1
1 294 . 4 1 1 A 30 30 ASN H H 30 8.080 8.245 -0.165 1
1 295 . 4 1 1 A 30 30 ASN HA H 30 4.900 4.864 0.036 1
1 298 . 4 1 1 A 30 30 ASN C C 30 174.150 174.838 -0.688 1
1 299 . 4 1 1 A 30 30 ASN CA C 30 51.490 53.240 -1.750 1
1 300 . 4 1 1 A 30 30 ASN CB C 30 38.200 38.883 -0.683 1
1 301 . 4 1 1 A 30 30 ASN N N 30 114.290 115.040 -0.750 1
1 302 . 4 1 1 A 31 31 CYS H H 31 7.170 7.450 -0.280 1
1 303 . 4 1 1 A 31 31 CYS HA H 31 4.079 4.312 -0.233 1
1 306 . 4 1 1 A 31 31 CYS C C 31 176.800 176.382 0.418 1
1 307 . 4 1 1 A 31 31 CYS CA C 31 61.430 60.090 1.340 1
1 308 . 4 1 1 A 31 31 CYS CB C 31 29.428 28.203 1.225 1
1 309 . 4 1 1 A 31 31 CYS N N 31 123.080 120.862 2.218 1
1 310 . 4 1 1 A 32 32 SER H H 32 8.740 8.901 -0.161 1
1 311 . 4 1 1 A 32 32 SER HA H 32 4.150 4.503 -0.353 1
1 314 . 4 1 1 A 32 32 SER C C 32 174.850 173.976 0.874 1
1 315 . 4 1 1 A 32 32 SER CA C 32 57.570 58.960 -1.390 1
1 316 . 4 1 1 A 32 32 SER CB C 32 63.540 63.536 0.004 1
1 317 . 4 1 1 A 32 32 SER N N 32 124.210 122.004 2.206 1
1 318 . 4 1 1 A 33 33 LEU H H 33 8.520 7.620 0.900 1
1 319 . 4 1 1 A 33 33 LEU HA H 33 4.570 4.705 -0.135 1
1 329 . 4 1 1 A 33 33 LEU C C 33 176.850 175.853 0.997 1
1 330 . 4 1 1 A 33 33 LEU CA C 33 54.080 51.295 2.785 1
1 331 . 4 1 1 A 33 33 LEU CB C 33 40.420 41.941 -1.521 1
1 335 . 4 1 1 A 33 33 LEU N N 33 128.730 124.414 4.316 1
1 336 . 4 1 1 A 34 34 PRO HA H 34 4.360 4.354 0.006 1
1 343 . 4 1 1 A 34 34 PRO C C 34 178.380 178.165 0.215 1
1 344 . 4 1 1 A 34 34 PRO CA C 34 64.970 65.027 -0.057 1
1 345 . 4 1 1 A 34 34 PRO CB C 34 31.230 31.951 -0.721 1
1 348 . 4 1 1 A 35 35 SER H H 35 8.300 8.534 -0.234 1
1 349 . 4 1 1 A 35 35 SER HA H 35 4.320 4.234 0.086 1
1 352 . 4 1 1 A 35 35 SER C C 35 178.350 176.554 1.796 1
1 353 . 4 1 1 A 35 35 SER CA C 35 59.953 61.422 -1.469 1
1 354 . 4 1 1 A 35 35 SER CB C 35 62.470 62.810 -0.340 1
1 355 . 4 1 1 A 35 35 SER N N 35 111.680 112.939 -1.259 1
1 356 . 4 1 1 A 36 36 CYS H H 36 7.500 9.025 -1.525 1
1 357 . 4 1 1 A 36 36 CYS HA H 36 4.242 4.147 0.095 1
1 360 . 4 1 1 A 36 36 CYS C C 36 176.630 177.116 -0.486 1
1 361 . 4 1 1 A 36 36 CYS CA C 36 63.710 63.621 0.089 1
1 362 . 4 1 1 A 36 36 CYS CB C 36 29.170 27.503 1.667 1
1 363 . 4 1 1 A 36 36 CYS N N 36 125.580 120.176 5.404 1
1 364 . 4 1 1 A 37 37 GLN H H 37 8.170 7.789 0.381 1
1 365 . 4 1 1 A 37 37 GLN HA H 37 4.010 3.983 0.027 1
1 369 . 4 1 1 A 37 37 GLN C C 37 178.900 177.811 1.089 1
1 370 . 4 1 1 A 37 37 GLN CA C 37 59.580 58.689 0.891 1
1 371 . 4 1 1 A 37 37 GLN CB C 37 27.560 28.408 -0.848 1
1 373 . 4 1 1 A 37 37 GLN N N 37 116.020 120.041 -4.021 1
1 374 . 4 1 1 A 38 38 LYS H H 38 7.840 7.673 0.167 1
1 375 . 4 1 1 A 38 38 LYS HA H 38 4.079 4.149 -0.070 1
1 381 . 4 1 1 A 38 38 LYS C C 38 179.300 179.600 -0.300 1
1 382 . 4 1 1 A 38 38 LYS CA C 38 59.280 59.189 0.091 1
1 383 . 4 1 1 A 38 38 LYS CB C 38 32.120 31.962 0.158 1
1 387 . 4 1 1 A 38 38 LYS N N 38 117.000 119.801 -2.801 1
1 388 . 4 1 1 A 39 39 MET H H 39 8.270 8.297 -0.027 1
1 389 . 4 1 1 A 39 39 MET HA H 39 4.580 4.225 0.355 1
1 394 . 4 1 1 A 39 39 MET C C 39 179.710 178.905 0.805 1
1 395 . 4 1 1 A 39 39 MET CA C 39 56.330 58.638 -2.308 1
1 396 . 4 1 1 A 39 39 MET CB C 39 31.180 31.556 -0.376 1
1 398 . 4 1 1 A 39 39 MET N N 39 118.020 117.867 0.153 1
1 399 . 4 1 1 A 40 40 LYS H H 40 9.530 8.740 0.790 1
1 400 . 4 1 1 A 40 40 LYS HA H 40 3.860 4.026 -0.166 1
1 406 . 4 1 1 A 40 40 LYS C C 40 179.620 179.087 0.533 1
1 407 . 4 1 1 A 40 40 LYS CA C 40 61.360 59.959 1.401 1
1 408 . 4 1 1 A 40 40 LYS CB C 40 32.120 32.214 -0.094 1
1 412 . 4 1 1 A 40 40 LYS N N 40 122.280 119.214 3.066 1
1 413 . 4 1 1 A 41 41 ARG H H 41 7.560 7.618 -0.058 1
1 414 . 4 1 1 A 41 41 ARG HA H 41 4.200 4.136 0.064 1
1 421 . 4 1 1 A 41 41 ARG C C 41 179.650 178.891 0.759 1
1 422 . 4 1 1 A 41 41 ARG CA C 41 59.350 58.788 0.562 1
1 423 . 4 1 1 A 41 41 ARG CB C 41 29.300 29.949 -0.649 1
1 426 . 4 1 1 A 41 41 ARG N N 41 117.590 119.933 -2.343 1
1 427 . 4 1 1 A 42 42 VAL H H 42 7.570 7.477 0.093 1
1 428 . 4 1 1 A 42 42 VAL HA H 42 3.670 3.736 -0.066 1
1 436 . 4 1 1 A 42 42 VAL C C 42 177.480 178.612 -1.132 1
1 437 . 4 1 1 A 42 42 VAL CA C 42 66.420 66.217 0.203 1
1 438 . 4 1 1 A 42 42 VAL CB C 42 30.700 31.725 -1.025 1
1 441 . 4 1 1 A 42 42 VAL N N 42 121.450 119.544 1.906 1
1 442 . 4 1 1 A 43 43 VAL H H 43 8.450 8.649 -0.199 1
1 443 . 4 1 1 A 43 43 VAL HA H 43 3.540 3.641 -0.101 1
1 448 . 4 1 1 A 43 43 VAL C C 43 178.950 178.050 0.900 1
1 449 . 4 1 1 A 43 43 VAL CA C 43 66.940 66.560 0.380 1
1 450 . 4 1 1 A 43 43 VAL CB C 43 31.090 31.744 -0.654 1
1 452 . 4 1 1 A 43 43 VAL N N 43 120.380 120.895 -0.515 1
1 453 . 4 1 1 A 44 44 GLN H H 44 8.400 9.405 -1.005 1
1 454 . 4 1 1 A 44 44 GLN HA H 44 4.020 4.023 -0.003 1
1 457 . 4 1 1 A 44 44 GLN C C 44 177.240 178.422 -1.182 1
1 458 . 4 1 1 A 44 44 GLN CA C 44 58.550 58.692 -0.142 1
1 459 . 4 1 1 A 44 44 GLN CB C 44 27.550 28.154 -0.604 1
1 461 . 4 1 1 A 44 44 GLN N N 44 119.280 117.778 1.502 1
1 462 . 4 1 1 A 45 45 HIS H H 45 8.070 8.021 0.049 1
1 463 . 4 1 1 A 45 45 HIS HA H 45 4.280 4.274 0.006 1
1 465 . 4 1 1 A 45 45 HIS C C 45 177.800 177.110 0.690 1
1 466 . 4 1 1 A 45 45 HIS CA C 45 59.440 59.327 0.113 1
1 467 . 4 1 1 A 45 45 HIS CB C 45 26.760 29.910 -3.150 1
1 468 . 4 1 1 A 45 45 HIS N N 45 119.000 121.484 -2.484 1
1 469 . 4 1 1 A 46 46 THR H H 46 7.800 8.705 -0.905 1
1 470 . 4 1 1 A 46 46 THR HA H 46 3.870 3.449 0.421 1
1 475 . 4 1 1 A 46 46 THR C C 46 175.850 176.137 -0.287 1
1 476 . 4 1 1 A 46 46 THR CA C 46 65.410 66.756 -1.346 1
1 477 . 4 1 1 A 46 46 THR CB C 46 68.850 68.513 0.337 1
1 479 . 4 1 1 A 46 46 THR N N 46 110.300 115.012 -4.712 1
1 480 . 4 1 1 A 47 47 LYS H H 47 7.310 8.040 -0.730 1
1 481 . 4 1 1 A 47 47 LYS HA H 47 4.100 4.294 -0.194 1
1 488 . 4 1 1 A 47 47 LYS C C 47 177.640 179.826 -2.186 1
1 489 . 4 1 1 A 47 47 LYS CA C 47 58.310 59.234 -0.924 1
1 490 . 4 1 1 A 47 47 LYS CB C 47 31.420 32.147 -0.727 1
1 494 . 4 1 1 A 47 47 LYS N N 47 120.240 119.304 0.936 1
1 495 . 4 1 1 A 48 48 GLY H H 48 7.159 7.581 -0.422 1
1 496 . 4 1 1 A 48 48 GLY HA2 H 48 4.410 3.993 0.417 1
1 497 . 4 1 1 A 48 48 GLY HA3 H 48 3.680 4.021 -0.341 1
1 498 . 4 1 1 A 48 48 GLY C C 48 173.850 174.358 -0.508 1
1 499 . 4 1 1 A 48 48 GLY CA C 48 44.433 46.844 -2.411 1
1 500 . 4 1 1 A 48 48 GLY N N 48 103.360 106.968 -3.608 1
1 501 . 4 1 1 A 49 49 CYS H H 49 6.910 7.362 -0.452 1
1 502 . 4 1 1 A 49 49 CYS HA H 49 4.020 4.763 -0.743 1
1 505 . 4 1 1 A 49 49 CYS C C 49 176.710 174.197 2.513 1
1 506 . 4 1 1 A 49 49 CYS CA C 49 60.620 57.623 2.997 1
1 507 . 4 1 1 A 49 49 CYS CB C 49 29.260 29.068 0.192 1
1 508 . 4 1 1 A 49 49 CYS N N 49 123.280 118.875 4.405 1
1 509 . 4 1 1 A 50 50 LYS H H 50 8.960 9.129 -0.169 1
1 510 . 4 1 1 A 50 50 LYS HA H 50 3.980 4.215 -0.235 1
1 519 . 4 1 1 A 50 50 LYS C C 50 177.580 178.793 -1.213 1
1 520 . 4 1 1 A 50 50 LYS CA C 50 56.280 58.433 -2.153 1
1 521 . 4 1 1 A 50 50 LYS CB C 50 32.150 32.582 -0.432 1
1 525 . 4 1 1 A 50 50 LYS N N 50 128.200 125.651 2.549 1
1 526 . 4 1 1 A 51 51 ARG H H 51 8.530 8.007 0.523 1
1 527 . 4 1 1 A 51 51 ARG HA H 51 4.460 4.078 0.382 1
1 533 . 4 1 1 A 51 51 ARG C C 51 176.700 178.620 -1.920 1
1 534 . 4 1 1 A 51 51 ARG CA C 51 57.203 59.283 -2.080 1
1 535 . 4 1 1 A 51 51 ARG CB C 51 30.969 29.987 0.982 1
1 538 . 4 1 1 A 51 51 ARG N N 51 122.350 120.838 1.512 1
1 539 . 4 1 1 A 52 52 LYS H H 52 8.420 7.773 0.647 1
1 540 . 4 1 1 A 52 52 LYS HA H 52 4.470 4.143 0.327 1
1 549 . 4 1 1 A 52 52 LYS C C 52 177.300 179.137 -1.837 1
1 550 . 4 1 1 A 52 52 LYS CA C 52 57.600 58.978 -1.378 1
1 551 . 4 1 1 A 52 52 LYS CB C 52 31.627 32.287 -0.660 1
1 555 . 4 1 1 A 52 52 LYS N N 52 118.820 119.448 -0.628 1
1 556 . 4 1 1 A 53 53 THR H H 53 7.760 7.826 -0.066 1
1 557 . 4 1 1 A 53 53 THR HA H 53 4.230 3.947 0.283 1
1 562 . 4 1 1 A 53 53 THR C C 53 175.700 176.222 -0.522 1
1 563 . 4 1 1 A 53 53 THR CA C 53 63.390 66.603 -3.213 1
1 564 . 4 1 1 A 53 53 THR CB C 53 68.220 68.976 -0.756 1
1 566 . 4 1 1 A 53 53 THR N N 53 112.860 116.535 -3.675 1
1 567 . 4 1 1 A 54 54 ASN H H 54 8.260 7.576 0.684 1
1 568 . 4 1 1 A 54 54 ASN HA H 54 4.110 4.647 -0.537 1
1 570 . 4 1 1 A 54 54 ASN C C 54 175.970 175.443 0.527 1
1 571 . 4 1 1 A 54 54 ASN CA C 54 53.300 53.181 0.119 1
1 572 . 4 1 1 A 54 54 ASN CB C 54 37.810 38.700 -0.890 1
1 573 . 4 1 1 A 54 54 ASN N N 54 119.690 116.466 3.224 1
1 574 . 4 1 1 A 55 55 GLY H H 55 7.960 8.768 -0.808 1
1 575 . 4 1 1 A 55 55 GLY HA2 H 55 4.010 3.933 0.077 1
1 576 . 4 1 1 A 55 55 GLY HA3 H 55 4.010 3.947 0.063 1
1 577 . 4 1 1 A 55 55 GLY C C 55 175.270 175.935 -0.665 1
1 578 . 4 1 1 A 55 55 GLY CA C 55 45.610 45.383 0.227 1
1 579 . 4 1 1 A 55 55 GLY N N 55 107.340 107.117 0.223 1
1 580 . 4 1 1 A 56 56 GLY H H 56 7.820 7.601 0.219 1
1 581 . 4 1 1 A 56 56 GLY HA2 H 56 3.970 3.889 0.081 1
1 582 . 4 1 1 A 56 56 GLY HA3 H 56 3.970 3.892 0.078 1
1 583 . 4 1 1 A 56 56 GLY C C 56 173.320 174.881 -1.561 1
1 584 . 4 1 1 A 56 56 GLY CA C 56 45.350 47.310 -1.960 1
1 585 . 4 1 1 A 56 56 GLY N N 56 107.080 107.519 -0.439 1
1 586 . 4 1 1 A 57 57 CYS H H 57 8.010 7.684 0.326 1
1 587 . 4 1 1 A 57 57 CYS HA H 57 4.870 4.714 0.156 1
1 590 . 4 1 1 A 57 57 CYS C C 57 175.610 174.572 1.038 1
1 591 . 4 1 1 A 57 57 CYS CA C 57 55.340 57.314 -1.974 1
1 592 . 4 1 1 A 57 57 CYS CB C 57 30.160 28.396 1.764 1
1 593 . 4 1 1 A 57 57 CYS N N 57 122.570 117.852 4.718 1
1 594 . 4 1 1 A 58 58 PRO HA H 58 4.320 4.276 0.044 1
1 601 . 4 1 1 A 58 58 PRO CA C 58 64.550 65.199 -0.649 1
1 602 . 4 1 1 A 58 58 PRO CB C 58 32.050 31.846 0.204 1
1 605 . 4 1 1 A 59 59 ILE H H 59 7.917 7.464 0.453 1
1 606 . 4 1 1 A 59 59 ILE HA H 59 3.550 3.856 -0.306 1
1 616 . 4 1 1 A 59 59 ILE C C 59 178.040 177.812 0.228 1
1 617 . 4 1 1 A 59 59 ILE CA C 59 64.540 64.389 0.151 1
1 618 . 4 1 1 A 59 59 ILE CB C 59 38.160 38.121 0.039 1
1 622 . 4 1 1 A 59 59 ILE N N 59 120.680 116.718 3.962 1
1 623 . 4 1 1 A 60 60 CYS H H 60 8.920 8.013 0.907 1
1 624 . 4 1 1 A 60 60 CYS HA H 60 4.105 4.111 -0.006 1
1 627 . 4 1 1 A 60 60 CYS C C 60 177.540 176.813 0.727 1
1 628 . 4 1 1 A 60 60 CYS CA C 60 66.000 62.210 3.790 1
1 629 . 4 1 1 A 60 60 CYS CB C 60 28.750 26.975 1.775 1
1 630 . 4 1 1 A 60 60 CYS N N 60 123.890 121.009 2.881 1
1 631 . 4 1 1 A 61 61 LYS H H 61 8.100 8.648 -0.548 1
1 632 . 4 1 1 A 61 61 LYS HA H 61 3.920 3.883 0.037 1
1 639 . 4 1 1 A 61 61 LYS C C 61 179.030 178.178 0.852 1
1 640 . 4 1 1 A 61 61 LYS CA C 61 59.610 59.625 -0.015 1
1 641 . 4 1 1 A 61 61 LYS CB C 61 32.040 32.466 -0.426 1
1 645 . 4 1 1 A 61 61 LYS N N 61 117.130 120.841 -3.711 1
1 646 . 4 1 1 A 62 62 GLN H H 62 7.010 8.513 -1.503 1
1 647 . 4 1 1 A 62 62 GLN HA H 62 4.150 4.088 0.062 1
1 652 . 4 1 1 A 62 62 GLN C C 62 178.340 178.187 0.153 1
1 653 . 4 1 1 A 62 62 GLN CA C 62 58.520 58.641 -0.121 1
1 654 . 4 1 1 A 62 62 GLN CB C 62 27.587 28.213 -0.626 1
1 656 . 4 1 1 A 62 62 GLN N N 62 117.000 118.464 -1.464 1
1 657 . 4 1 1 A 63 63 LEU H H 63 7.980 7.993 -0.013 1
1 658 . 4 1 1 A 63 63 LEU HA H 63 4.160 4.027 0.133 1
1 667 . 4 1 1 A 63 63 LEU C C 63 179.060 178.107 0.953 1
1 668 . 4 1 1 A 63 63 LEU CA C 63 57.830 58.104 -0.274 1
1 669 . 4 1 1 A 63 63 LEU CB C 63 41.270 41.155 0.115 1
1 673 . 4 1 1 A 63 63 LEU N N 63 119.730 121.171 -1.441 1
1 674 . 4 1 1 A 64 64 ILE H H 64 8.481 8.285 0.196 1
1 675 . 4 1 1 A 64 64 ILE HA H 64 3.650 3.239 0.411 1
1 685 . 4 1 1 A 64 64 ILE C C 64 179.930 177.970 1.960 1
1 686 . 4 1 1 A 64 64 ILE CA C 64 65.220 65.679 -0.459 1
1 687 . 4 1 1 A 64 64 ILE CB C 64 36.960 37.640 -0.680 1
1 691 . 4 1 1 A 64 64 ILE N N 64 120.350 119.542 0.808 1
1 692 . 4 1 1 A 65 65 ALA H H 65 7.300 7.647 -0.347 1
1 693 . 4 1 1 A 65 65 ALA HA H 65 4.200 4.013 0.187 1
1 697 . 4 1 1 A 65 65 ALA C C 65 180.010 179.985 0.025 1
1 698 . 4 1 1 A 65 65 ALA CA C 65 54.940 55.692 -0.752 1
1 699 . 4 1 1 A 65 65 ALA CB C 65 18.010 18.610 -0.600 1
1 700 . 4 1 1 A 65 65 ALA N N 65 122.510 122.723 -0.213 1
1 701 . 4 1 1 A 66 66 LEU H H 66 8.120 8.452 -0.332 1
1 702 . 4 1 1 A 66 66 LEU HA H 66 4.100 4.307 -0.207 1
1 712 . 4 1 1 A 66 66 LEU C C 66 179.480 178.557 0.923 1
1 713 . 4 1 1 A 66 66 LEU CA C 66 57.540 57.906 -0.366 1
1 714 . 4 1 1 A 66 66 LEU CB C 66 41.940 41.284 0.656 1
1 718 . 4 1 1 A 66 66 LEU N N 66 115.490 119.982 -4.492 1
1 719 . 4 1 1 A 67 67 ALA H H 67 8.840 8.955 -0.115 1
1 720 . 4 1 1 A 67 67 ALA HA H 67 4.000 4.129 -0.129 1
1 724 . 4 1 1 A 67 67 ALA C C 67 179.000 179.563 -0.563 1
1 725 . 4 1 1 A 67 67 ALA CA C 67 55.490 55.313 0.177 1
1 726 . 4 1 1 A 67 67 ALA CB C 67 18.460 18.306 0.154 1
1 727 . 4 1 1 A 67 67 ALA N N 67 121.500 120.538 0.962 1
1 728 . 4 1 1 A 68 68 ALA H H 68 8.500 8.080 0.420 1
1 729 . 4 1 1 A 68 68 ALA HA H 68 4.160 3.983 0.177 1
1 733 . 4 1 1 A 68 68 ALA C C 68 179.070 179.523 -0.453 1
1 734 . 4 1 1 A 68 68 ALA CA C 68 55.290 55.032 0.258 1
1 735 . 4 1 1 A 68 68 ALA CB C 68 17.524 18.949 -1.425 1
1 736 . 4 1 1 A 68 68 ALA N N 68 120.100 119.933 0.167 1
1 737 . 4 1 1 A 69 69 TYR H H 69 7.850 7.870 -0.020 1
1 738 . 4 1 1 A 69 69 TYR HA H 69 4.310 4.342 -0.032 1
1 741 . 4 1 1 A 69 69 TYR CA C 69 56.141 60.917 -4.776 1
1 742 . 4 1 1 A 69 69 TYR CB C 69 37.943 38.185 -0.242 1
1 743 . 4 1 1 A 69 69 TYR N N 69 118.930 115.981 2.949 1
1 744 . 4 1 1 A 70 70 HIS H H 70 7.960 8.045 -0.085 1
1 745 . 4 1 1 A 70 70 HIS HA H 70 4.510 4.299 0.211 1
1 748 . 4 1 1 A 70 70 HIS CA C 70 54.640 60.513 -5.873 1
1 749 . 4 1 1 A 70 70 HIS CB C 70 27.560 29.781 -2.221 1
1 750 . 4 1 1 A 70 70 HIS N N 70 125.790 119.647 6.143 1
1 751 . 4 1 1 A 71 71 ALA H H 71 9.190 9.226 -0.036 1
1 752 . 4 1 1 A 71 71 ALA HA H 71 3.960 3.904 0.056 1
1 756 . 4 1 1 A 71 71 ALA C C 71 179.070 179.821 -0.751 1
1 757 . 4 1 1 A 71 71 ALA CA C 71 54.510 54.795 -0.285 1
1 758 . 4 1 1 A 71 71 ALA CB C 71 19.240 18.188 1.052 1
1 759 . 4 1 1 A 71 71 ALA N N 71 121.760 120.971 0.789 1
1 760 . 4 1 1 A 72 72 LYS H H 72 6.950 7.447 -0.497 1
1 761 . 4 1 1 A 72 72 LYS HA H 72 3.920 4.086 -0.166 1
1 770 . 4 1 1 A 72 72 LYS C C 72 176.750 179.072 -2.322 1
1 771 . 4 1 1 A 72 72 LYS CA C 72 57.690 59.087 -1.397 1
1 772 . 4 1 1 A 72 72 LYS CB C 72 31.720 32.736 -1.016 1
1 776 . 4 1 1 A 72 72 LYS N N 72 114.500 117.440 -2.940 1
1 777 . 4 1 1 A 73 73 HIS H H 73 7.140 8.315 -1.175 1
1 778 . 4 1 1 A 73 73 HIS HA H 73 4.830 4.221 0.609 1
1 781 . 4 1 1 A 73 73 HIS C C 73 173.590 175.961 -2.371 1
1 782 . 4 1 1 A 73 73 HIS CA C 73 54.070 59.739 -5.669 1
1 783 . 4 1 1 A 73 73 HIS CB C 73 29.640 29.919 -0.279 1
1 784 . 4 1 1 A 73 73 HIS N N 73 113.180 119.466 -6.286 1
1 785 . 4 1 1 A 74 74 CYS H H 74 7.020 8.024 -1.004 1
1 786 . 4 1 1 A 74 74 CYS HA H 74 4.140 4.249 -0.109 1
1 789 . 4 1 1 A 74 74 CYS C C 74 176.120 175.407 0.713 1
1 790 . 4 1 1 A 74 74 CYS CA C 74 59.829 58.586 1.243 1
1 791 . 4 1 1 A 74 74 CYS CB C 74 29.473 27.540 1.933 1
1 792 . 4 1 1 A 74 74 CYS N N 74 123.590 117.549 6.041 1
1 793 . 4 1 1 A 75 75 GLN H H 75 9.070 8.946 0.124 1
1 794 . 4 1 1 A 75 75 GLN HA H 75 4.705 4.357 0.348 1
1 798 . 4 1 1 A 75 75 GLN C C 75 175.620 175.170 0.450 1
1 799 . 4 1 1 A 75 75 GLN CA C 75 54.290 56.980 -2.690 1
1 800 . 4 1 1 A 75 75 GLN CB C 75 28.760 29.016 -0.256 1
1 802 . 4 1 1 A 75 75 GLN N N 75 128.650 127.960 0.690 1
1 803 . 4 1 1 A 76 76 GLU H H 76 8.260 7.608 0.652 1
1 804 . 4 1 1 A 76 76 GLU HA H 76 4.410 4.827 -0.417 1
1 809 . 4 1 1 A 76 76 GLU C C 76 176.700 175.512 1.188 1
1 810 . 4 1 1 A 76 76 GLU CA C 76 55.510 55.053 0.457 1
1 811 . 4 1 1 A 76 76 GLU CB C 76 29.860 33.052 -3.192 1
1 813 . 4 1 1 A 76 76 GLU N N 76 123.000 119.852 3.148 1
1 814 . 4 1 1 A 77 77 ASN H H 77 8.830 9.090 -0.260 1
1 815 . 4 1 1 A 77 77 ASN HA H 77 4.530 4.746 -0.216 1
1 818 . 4 1 1 A 77 77 ASN C C 77 175.700 175.136 0.564 1
1 819 . 4 1 1 A 77 77 ASN CA C 77 55.030 52.464 2.566 1
1 820 . 4 1 1 A 77 77 ASN CB C 77 38.030 36.824 1.206 1
1 821 . 4 1 1 A 77 77 ASN N N 77 125.100 124.162 0.938 1
1 822 . 4 1 1 A 78 78 LYS H H 78 8.660 8.466 0.194 1
1 823 . 4 1 1 A 78 78 LYS HA H 78 4.440 3.976 0.464 1
1 832 . 4 1 1 A 78 78 LYS C C 78 174.930 176.181 -1.251 1
1 833 . 4 1 1 A 78 78 LYS CA C 78 54.120 59.149 -5.029 1
1 834 . 4 1 1 A 78 78 LYS CB C 78 30.120 32.728 -2.608 1
1 838 . 4 1 1 A 78 78 LYS N N 78 120.580 125.327 -4.747 1
1 839 . 4 1 1 A 79 79 CYS H H 79 7.320 7.887 -0.567 1
1 840 . 4 1 1 A 79 79 CYS HA H 79 4.160 4.525 -0.365 1
1 843 . 4 1 1 A 79 79 CYS C C 79 176.230 175.084 1.146 1
1 844 . 4 1 1 A 79 79 CYS CA C 79 60.480 60.244 0.236 1
1 845 . 4 1 1 A 79 79 CYS CB C 79 28.440 27.485 0.955 1
1 846 . 4 1 1 A 79 79 CYS N N 79 124.350 116.520 7.830 1
1 847 . 4 1 1 A 80 80 PRO HA H 80 4.730 4.302 0.428 1
1 854 . 4 1 1 A 80 80 PRO CA C 80 62.580 65.129 -2.549 1
1 855 . 4 1 1 A 80 80 PRO CB C 80 31.540 31.498 0.042 1
1 858 . 4 1 1 A 81 81 VAL H H 81 9.030 7.762 1.268 1
1 859 . 4 1 1 A 81 81 VAL HA H 81 3.570 4.093 -0.523 1
1 867 . 4 1 1 A 81 81 VAL CA C 81 62.220 61.108 1.112 1
1 868 . 4 1 1 A 81 81 VAL CB C 81 30.990 31.973 -0.983 1
1 871 . 4 1 1 A 81 81 VAL N N 81 127.570 118.950 8.620 1
1 872 . 4 1 1 A 82 82 PRO HA H 82 4.860 4.183 0.677 1
1 879 . 4 1 1 A 82 82 PRO CA C 82 62.860 65.482 -2.622 1
1 880 . 4 1 1 A 82 82 PRO CB C 82 31.550 31.193 0.357 1
1 883 . 4 1 1 A 83 83 PHE H H 83 6.940 6.728 0.212 1
1 884 . 4 1 1 A 83 83 PHE HA H 83 4.460 4.262 0.198 1
1 887 . 4 1 1 A 83 83 PHE C C 83 177.240 178.320 -1.080 1
1 888 . 4 1 1 A 83 83 PHE CA C 83 59.880 60.841 -0.961 1
1 889 . 4 1 1 A 83 83 PHE CB C 83 37.550 38.294 -0.744 1
1 890 . 4 1 1 A 83 83 PHE N N 83 123.530 117.096 6.434 1
1 891 . 4 1 1 A 84 84 CYS H H 84 7.020 8.336 -1.316 1
1 892 . 4 1 1 A 84 84 CYS HA H 84 4.100 4.256 -0.156 1
1 895 . 4 1 1 A 84 84 CYS CA C 84 66.560 62.336 4.224 1
1 896 . 4 1 1 A 84 84 CYS CB C 84 29.770 27.154 2.616 1
1 897 . 4 1 1 A 84 84 CYS N N 84 111.010 118.310 -7.300 1
1 898 . 4 1 1 A 85 85 LEU H H 85 8.190 7.814 0.376 1
1 899 . 4 1 1 A 85 85 LEU HA H 85 4.130 3.920 0.210 1
1 908 . 4 1 1 A 85 85 LEU C C 85 178.700 179.432 -0.732 1
1 909 . 4 1 1 A 85 85 LEU CA C 85 57.450 57.900 -0.450 1
1 910 . 4 1 1 A 85 85 LEU CB C 85 41.720 41.162 0.558 1
1 914 . 4 1 1 A 85 85 LEU N N 85 120.080 121.128 -1.048 1
1 915 . 4 1 1 A 86 86 ASN H H 86 7.740 8.024 -0.284 1
1 916 . 4 1 1 A 86 86 ASN HA H 86 4.530 4.551 -0.021 1
1 919 . 4 1 1 A 86 86 ASN C C 86 177.040 176.732 0.308 1
1 920 . 4 1 1 A 86 86 ASN CA C 86 55.510 56.501 -0.991 1
1 921 . 4 1 1 A 86 86 ASN CB C 86 38.650 38.178 0.472 1
1 922 . 4 1 1 A 86 86 ASN N N 86 115.410 118.509 -3.099 1
1 923 . 4 1 1 A 87 87 ILE H H 87 8.190 7.736 0.454 1
1 924 . 4 1 1 A 87 87 ILE HA H 87 3.960 3.939 0.021 1
1 934 . 4 1 1 A 87 87 ILE C C 87 177.980 178.145 -0.165 1
1 935 . 4 1 1 A 87 87 ILE CA C 87 63.050 63.603 -0.553 1
1 936 . 4 1 1 A 87 87 ILE CB C 87 36.950 38.370 -1.420 1
1 940 . 4 1 1 A 87 87 ILE N N 87 120.100 118.660 1.440 1
1 941 . 4 1 1 A 88 88 LYS H H 88 8.300 9.204 -0.904 1
1 942 . 4 1 1 A 88 88 LYS HA H 88 4.160 4.035 0.125 1
1 949 . 4 1 1 A 88 88 LYS C C 88 179.730 179.099 0.631 1
1 950 . 4 1 1 A 88 88 LYS CA C 88 59.030 59.395 -0.365 1
1 951 . 4 1 1 A 88 88 LYS CB C 88 27.530 32.606 -5.076 1
1 953 . 4 1 1 A 88 88 LYS N N 88 118.760 120.243 -1.483 1
1 954 . 4 1 1 A 89 89 GLN H H 89 8.730 7.763 0.967 1
1 955 . 4 1 1 A 89 89 GLN HA H 89 4.440 4.139 0.301 1
1 958 . 4 1 1 A 89 89 GLN CA C 89 56.350 58.656 -2.306 1
1 959 . 4 1 1 A 89 89 GLN CB C 89 27.750 28.175 -0.425 1
1 961 . 4 1 1 A 89 89 GLN N N 89 122.660 119.860 2.800 1
1 978 . 4 2 2 B 2 2 GLU C C 2 176.270 176.499 -0.229 1
1 979 . 4 2 2 B 2 2 GLU CA C 2 56.070 59.225 -3.155 1
1 980 . 4 2 2 B 2 2 GLU CB C 2 29.100 30.181 -1.081 1
1 981 . 4 2 2 B 3 3 GLU HA H 3 4.650 4.394 0.256 1
1 986 . 4 2 2 B 3 3 GLU C C 3 176.270 177.020 -0.750 1
1 987 . 4 2 2 B 3 3 GLU CA C 3 53.970 57.593 -3.623 1
1 988 . 4 2 2 B 3 3 GLU CB C 3 29.200 32.181 -2.981 1
1 990 . 4 2 2 B 4 4 PRO HA H 4 4.510 4.292 0.218 1
1 997 . 4 2 2 B 4 4 PRO C C 4 181.100 177.376 3.724 1
1 998 . 4 2 2 B 4 4 PRO CA C 4 62.900 64.394 -1.494 1
1 999 . 4 2 2 B 4 4 PRO CB C 4 31.402 32.017 -0.615 1
1 1002 . 4 2 2 B 5 5 GLN H H 5 8.530 7.929 0.601 1
1 1003 . 4 2 2 B 5 5 GLN HA H 5 4.430 4.454 -0.024 1
1 1007 . 4 2 2 B 5 5 GLN C C 5 176.100 175.160 0.940 1
1 1008 . 4 2 2 B 5 5 GLN CA C 5 53.450 57.083 -3.633 1
1 1009 . 4 2 2 B 5 5 GLN CB C 5 28.990 27.738 1.252 1
1 1011 . 4 2 2 B 5 5 GLN N N 5 120.510 117.293 3.217 1
1 1012 . 4 2 2 B 6 6 SER H H 6 8.330 8.482 -0.152 1
1 1013 . 4 2 2 B 6 6 SER HA H 6 4.500 4.377 0.123 1
1 1015 . 4 2 2 B 6 6 SER C C 6 173.920 174.824 -0.904 1
1 1016 . 4 2 2 B 6 6 SER CA C 6 57.860 59.056 -1.196 1
1 1017 . 4 2 2 B 6 6 SER CB C 6 63.230 63.659 -0.429 1
1 1018 . 4 2 2 B 6 6 SER N N 6 117.080 117.759 -0.679 1
1 1019 . 4 2 2 B 7 7 ASP H H 7 8.380 9.219 -0.839 1
1 1020 . 4 2 2 B 7 7 ASP HA H 7 4.960 4.498 0.462 1
1 1023 . 4 2 2 B 7 7 ASP C C 7 174.780 176.599 -1.819 1
1 1024 . 4 2 2 B 7 7 ASP CA C 7 51.960 57.060 -5.100 1
1 1025 . 4 2 2 B 7 7 ASP CB C 7 40.850 41.139 -0.289 1
1 1026 . 4 2 2 B 7 7 ASP N N 7 123.030 124.648 -1.618 1
1 1027 . 4 2 2 B 8 8 PRO HA H 8 4.450 4.278 0.172 1
1 1034 . 4 2 2 B 8 8 PRO C C 8 177.080 178.322 -1.242 1
1 1035 . 4 2 2 B 8 8 PRO CA C 8 63.520 65.757 -2.237 1
1 1036 . 4 2 2 B 8 8 PRO CB C 8 31.612 30.721 0.891 1
1 1039 . 4 2 2 B 9 9 SER H H 9 8.520 8.073 0.447 1
1 1040 . 4 2 2 B 9 9 SER HA H 9 4.450 4.466 -0.016 1
1 1042 . 4 2 2 B 9 9 SER C C 9 174.420 174.509 -0.089 1
1 1043 . 4 2 2 B 9 9 SER CA C 9 58.590 58.545 0.045 1
1 1044 . 4 2 2 B 9 9 SER CB C 9 63.330 64.353 -1.023 1
1 1045 . 4 2 2 B 9 9 SER N N 9 116.010 110.196 5.814 1
1 1046 . 4 2 2 B 10 10 VAL H H 10 7.771 7.609 0.162 1
1 1047 . 4 2 2 B 10 10 VAL HA H 10 4.200 4.091 0.109 1
1 1055 . 4 2 2 B 10 10 VAL C C 10 174.430 174.665 -0.235 1
1 1056 . 4 2 2 B 10 10 VAL CA C 10 61.330 62.051 -0.721 1
1 1057 . 4 2 2 B 10 10 VAL CB C 10 32.340 30.504 1.836 1
1 1060 . 4 2 2 B 10 10 VAL N N 10 121.350 123.380 -2.030 1
1 1061 . 4 2 2 B 11 11 GLU H H 11 8.000 8.588 -0.588 1
1 1062 . 4 2 2 B 11 11 GLU HA H 11 4.660 4.809 -0.149 1
1 1067 . 4 2 2 B 11 11 GLU C C 11 173.740 174.588 -0.848 1
1 1068 . 4 2 2 B 11 11 GLU CA C 11 53.130 52.990 0.140 1
1 1069 . 4 2 2 B 11 11 GLU CB C 11 29.826 30.644 -0.818 1
1 1071 . 4 2 2 B 11 11 GLU N N 11 125.070 126.821 -1.751 1
1 1072 . 4 2 2 B 12 12 PRO HA H 12 4.520 4.417 0.103 1
1 1079 . 4 2 2 B 12 12 PRO CA C 12 63.570 63.350 0.220 1
1 1080 . 4 2 2 B 12 12 PRO CB C 12 31.350 31.655 -0.305 1
1 1083 . 4 2 2 B 13 13 PRO HA H 13 4.510 4.515 -0.005 1
1 1090 . 4 2 2 B 13 13 PRO C C 13 175.980 177.275 -1.295 1
1 1091 . 4 2 2 B 13 13 PRO CB C 13 31.720 32.476 -0.756 1
1 1094 . 4 2 2 B 14 14 LEU H H 14 7.900 8.957 -1.057 1
1 1095 . 4 2 2 B 14 14 LEU HA H 14 4.480 4.469 0.011 1
1 1101 . 4 2 2 B 14 14 LEU C C 14 177.260 177.122 0.138 1
1 1102 . 4 2 2 B 14 14 LEU CA C 14 52.290 54.631 -2.341 1
1 1103 . 4 2 2 B 14 14 LEU CB C 14 41.270 42.429 -1.159 1
1 1106 . 4 2 2 B 14 14 LEU N N 14 120.860 121.866 -1.006 1
1 1107 . 4 2 2 B 15 15 SER H H 15 8.620 8.207 0.413 1
1 1108 . 4 2 2 B 15 15 SER HA H 15 4.510 4.145 0.365 1
1 1111 . 4 2 2 B 15 15 SER C C 15 175.040 174.497 0.543 1
1 1112 . 4 2 2 B 15 15 SER CA C 15 57.330 60.824 -3.494 1
1 1113 . 4 2 2 B 15 15 SER CB C 15 63.960 61.227 2.733 1
1 1114 . 4 2 2 B 15 15 SER N N 15 117.360 112.172 5.188 1
1 1115 . 4 2 2 B 16 16 GLN H H 16 8.700 8.017 0.683 1
1 1116 . 4 2 2 B 16 16 GLN HA H 16 4.400 4.721 -0.321 1
1 1120 . 4 2 2 B 16 16 GLN C C 16 176.280 176.479 -0.199 1
1 1121 . 4 2 2 B 16 16 GLN CA C 16 56.170 55.301 0.869 1
1 1122 . 4 2 2 B 16 16 GLN CB C 16 29.310 29.403 -0.093 1
1 1124 . 4 2 2 B 16 16 GLN N N 16 122.480 118.645 3.835 1
1 1125 . 4 2 2 B 18 18 THR H H 18 7.860 8.389 -0.529 1
1 1126 . 4 2 2 B 18 18 THR HA H 18 4.080 3.983 0.097 1
1 1131 . 4 2 2 B 18 18 THR C C 18 175.900 176.509 -0.609 1
1 1132 . 4 2 2 B 18 18 THR CA C 18 66.280 66.449 -0.169 1
1 1133 . 4 2 2 B 18 18 THR CB C 18 67.550 68.483 -0.933 1
1 1135 . 4 2 2 B 18 18 THR N N 18 116.790 114.837 1.953 1
1 1136 . 4 2 2 B 19 19 PHE H H 19 8.640 8.621 0.019 1
1 1137 . 4 2 2 B 19 19 PHE HA H 19 4.340 4.424 -0.084 1
1 1140 . 4 2 2 B 19 19 PHE C C 19 176.340 178.354 -2.014 1
1 1141 . 4 2 2 B 19 19 PHE CA C 19 59.680 61.179 -1.499 1
1 1142 . 4 2 2 B 19 19 PHE CB C 19 38.070 39.100 -1.030 1
1 1143 . 4 2 2 B 19 19 PHE N N 19 120.710 120.964 -0.254 1
1 1144 . 4 2 2 B 20 20 SER H H 20 8.260 9.258 -0.998 1
1 1145 . 4 2 2 B 20 20 SER C C 20 176.100 176.728 -0.628 1
1 1146 . 4 2 2 B 20 20 SER CA C 20 61.280 61.759 -0.479 1
1 1147 . 4 2 2 B 20 20 SER CB C 20 61.980 63.298 -1.318 1
1 1148 . 4 2 2 B 20 20 SER N N 20 114.000 114.652 -0.652 1
1 1149 . 4 2 2 B 21 21 ASP H H 21 7.660 7.996 -0.336 1
1 1150 . 4 2 2 B 21 21 ASP HA H 21 4.520 4.295 0.225 1
1 1153 . 4 2 2 B 21 21 ASP C C 21 177.890 178.848 -0.958 1
1 1154 . 4 2 2 B 21 21 ASP CA C 21 56.070 57.287 -1.217 1
1 1155 . 4 2 2 B 21 21 ASP CB C 21 40.020 40.544 -0.524 1
1 1156 . 4 2 2 B 21 21 ASP N N 21 120.570 121.246 -0.676 1
1 1157 . 4 2 2 B 22 22 LEU H H 22 7.990 8.030 -0.040 1
1 1158 . 4 2 2 B 22 22 LEU HA H 22 3.940 4.024 -0.084 1
1 1165 . 4 2 2 B 22 22 LEU C C 22 178.390 178.815 -0.425 1
1 1166 . 4 2 2 B 22 22 LEU CA C 22 57.440 58.453 -1.013 1
1 1167 . 4 2 2 B 22 22 LEU CB C 22 41.270 41.790 -0.520 1
1 1170 . 4 2 2 B 22 22 LEU N N 22 120.860 119.615 1.245 1
1 1171 . 4 2 2 B 23 23 TRP H H 23 8.920 8.058 0.862 1
1 1172 . 4 2 2 B 23 23 TRP HA H 23 4.200 4.646 -0.446 1
1 1175 . 4 2 2 B 23 23 TRP C C 23 178.090 177.532 0.558 1
1 1176 . 4 2 2 B 23 23 TRP CA C 23 59.310 58.270 1.040 1
1 1177 . 4 2 2 B 23 23 TRP CB C 23 28.550 29.327 -0.777 1
1 1178 . 4 2 2 B 23 23 TRP N N 23 119.580 116.578 3.002 1
1 1179 . 4 2 2 B 24 24 LYS H H 24 7.380 7.091 0.289 1
1 1180 . 4 2 2 B 24 24 LYS HA H 24 4.090 3.796 0.294 1
1 1189 . 4 2 2 B 24 24 LYS C C 24 177.360 177.530 -0.170 1
1 1190 . 4 2 2 B 24 24 LYS CA C 24 57.750 56.878 0.872 1
1 1191 . 4 2 2 B 24 24 LYS CB C 24 31.980 32.240 -0.260 1
1 1195 . 4 2 2 B 24 24 LYS N N 24 116.010 118.815 -2.805 1
1 1196 . 4 2 2 B 25 25 LEU H H 25 7.700 7.470 0.230 1
1 1197 . 4 2 2 B 25 25 LEU HA H 25 4.330 4.460 -0.130 1
1 1207 . 4 2 2 B 25 25 LEU C C 25 177.290 176.253 1.037 1
1 1208 . 4 2 2 B 25 25 LEU CA C 25 54.920 53.969 0.951 1
1 1209 . 4 2 2 B 25 25 LEU CB C 25 42.220 41.585 0.635 1
1 1213 . 4 2 2 B 25 25 LEU N N 25 118.160 116.993 1.167 1
1 1214 . 4 2 2 B 26 26 LEU H H 26 7.350 7.175 0.175 1
1 1215 . 4 2 2 B 26 26 LEU HA H 26 4.540 4.771 -0.231 1
1 1225 . 4 2 2 B 26 26 LEU C C 26 175.090 176.858 -1.768 1
1 1226 . 4 2 2 B 26 26 LEU CA C 26 53.130 52.748 0.382 1
1 1227 . 4 2 2 B 26 26 LEU CB C 26 40.650 41.886 -1.236 1
1 1231 . 4 2 2 B 26 26 LEU N N 26 120.260 119.012 1.248 1
1 1232 . 4 2 2 B 27 27 PRO HA H 27 4.550 4.389 0.161 1
1 1239 . 4 2 2 B 27 27 PRO C C 27 177.410 177.953 -0.543 1
1 1240 . 4 2 2 B 27 27 PRO CA C 27 62.420 63.591 -1.171 1
1 1241 . 4 2 2 B 27 27 PRO CB C 27 31.080 31.829 -0.749 1
1 1244 . 4 2 2 B 28 28 GLU H H 28 8.670 8.204 0.466 1
1 1245 . 4 2 2 B 28 28 GLU HA H 28 4.210 4.127 0.083 1
1 1250 . 4 2 2 B 28 28 GLU C C 28 176.540 175.359 1.181 1
1 1251 . 4 2 2 B 28 28 GLU CA C 28 57.020 58.037 -1.017 1
1 1252 . 4 2 2 B 28 28 GLU CB C 28 28.980 29.416 -0.436 1
1 1254 . 4 2 2 B 28 28 GLU N N 28 119.490 118.654 0.836 1
1 1255 . 4 2 2 B 29 29 ASN H H 29 8.220 7.985 0.235 1
1 1256 . 4 2 2 B 29 29 ASN HA H 29 4.720 4.953 -0.233 1
1 1259 . 4 2 2 B 29 29 ASN C C 29 174.980 174.160 0.820 1
1 1260 . 4 2 2 B 29 29 ASN CA C 29 53.130 52.330 0.800 1
1 1261 . 4 2 2 B 29 29 ASN CB C 29 38.350 38.706 -0.356 1
1 1262 . 4 2 2 B 29 29 ASN N N 29 118.090 121.093 -3.003 1
1 1263 . 4 2 2 B 30 30 ASN H H 30 8.260 9.004 -0.744 1
1 1264 . 4 2 2 B 30 30 ASN HA H 30 4.740 5.081 -0.341 1
1 1267 . 4 2 2 B 30 30 ASN C C 30 175.120 174.367 0.753 1
1 1268 . 4 2 2 B 30 30 ASN CA C 30 53.230 52.710 0.520 1
1 1269 . 4 2 2 B 30 30 ASN CB C 30 38.550 39.343 -0.793 1
1 1270 . 4 2 2 B 30 30 ASN N N 30 118.720 125.149 -6.429 1
1 1271 . 4 2 2 B 31 31 VAL H H 31 8.010 9.078 -1.068 1
1 1272 . 4 2 2 B 31 31 VAL HA H 31 4.150 4.408 -0.258 1
1 1277 . 4 2 2 B 31 31 VAL C C 31 175.990 175.534 0.456 1
1 1278 . 4 2 2 B 31 31 VAL CA C 31 62.270 61.886 0.384 1
1 1279 . 4 2 2 B 31 31 VAL CB C 31 31.820 33.137 -1.317 1
1 1281 . 4 2 2 B 31 31 VAL N N 31 118.920 125.051 -6.131 1
1 1282 . 4 2 2 B 32 32 LEU H H 32 8.190 8.422 -0.232 1
1 1283 . 4 2 2 B 32 32 LEU HA H 32 4.420 4.476 -0.056 1
1 1292 . 4 2 2 B 32 32 LEU C C 32 176.960 177.233 -0.273 1
1 1293 . 4 2 2 B 32 32 LEU CA C 32 54.490 54.438 0.052 1
1 1294 . 4 2 2 B 32 32 LEU CB C 32 41.800 42.266 -0.466 1
1 1298 . 4 2 2 B 32 32 LEU N N 32 123.760 126.711 -2.951 1
1 1299 . 4 2 2 B 33 33 SER H H 33 7.920 7.701 0.219 1
1 1300 . 4 2 2 B 33 33 SER HA H 33 4.790 4.393 0.397 1
1 1303 . 4 2 2 B 33 33 SER C C 33 172.710 173.428 -0.718 1
1 1304 . 4 2 2 B 33 33 SER CA C 33 55.970 57.885 -1.915 1
1 1305 . 4 2 2 B 33 33 SER CB C 33 63.020 63.486 -0.466 1
1 1306 . 4 2 2 B 33 33 SER N N 33 117.150 116.951 0.199 1
1 1307 . 4 2 2 B 34 34 PRO HA H 34 4.510 4.673 -0.163 1
1 1314 . 4 2 2 B 34 34 PRO C C 34 176.750 175.684 1.066 1
1 1315 . 4 2 2 B 34 34 PRO CA C 34 62.690 62.479 0.211 1
1 1316 . 4 2 2 B 34 34 PRO CB C 34 31.420 32.556 -1.136 1
1 1319 . 4 2 2 B 35 35 LEU H H 35 8.200 8.378 -0.178 1
1 1320 . 4 2 2 B 35 35 LEU HA H 35 4.620 4.927 -0.307 1
1 1326 . 4 2 2 B 35 35 LEU C C 35 175.560 174.647 0.913 1
1 1327 . 4 2 2 B 35 35 LEU CA C 35 52.710 51.186 1.524 1
1 1328 . 4 2 2 B 35 35 LEU CB C 35 41.280 41.981 -0.701 1
1 1331 . 4 2 2 B 35 35 LEU N N 35 123.000 122.488 0.512 1
1 1332 . 4 2 2 B 36 36 PRO HA H 36 4.850 4.534 0.316 1
1 1339 . 4 2 2 B 36 36 PRO C C 36 176.970 177.714 -0.744 1
1 1340 . 4 2 2 B 36 36 PRO CA C 36 62.690 62.926 -0.236 1
1 1341 . 4 2 2 B 36 36 PRO CB C 36 31.420 32.550 -1.130 1
1 1344 . 4 2 2 B 37 37 SER H H 37 8.280 8.762 -0.482 1
1 1345 . 4 2 2 B 37 37 SER HA H 37 4.520 4.163 0.357 1
1 1347 . 4 2 2 B 37 37 SER C C 37 174.580 174.807 -0.227 1
1 1348 . 4 2 2 B 37 37 SER CA C 37 55.870 61.101 -5.231 1
1 1349 . 4 2 2 B 37 37 SER CB C 37 63.360 63.046 0.314 1
1 1350 . 4 2 2 B 37 37 SER N N 37 115.170 118.363 -3.193 1
1 1351 . 4 2 2 B 38 38 GLN H H 38 8.310 7.791 0.519 1
1 1352 . 4 2 2 B 38 38 GLN HA H 38 4.410 4.646 -0.236 1
1 1356 . 4 2 2 B 38 38 GLN C C 38 174.650 174.576 0.074 1
1 1357 . 4 2 2 B 38 38 GLN CA C 38 55.550 55.109 0.441 1
1 1358 . 4 2 2 B 38 38 GLN CB C 38 29.190 28.970 0.220 1
1 1360 . 4 2 2 B 38 38 GLN N N 38 122.270 120.599 1.671 1
1 1 . 5 1 1 A 2 2 THR C C 2 174.280 175.137 -0.857 1
1 2 . 5 1 1 A 2 2 THR CA C 2 61.820 65.376 -3.556 1
1 3 . 5 1 1 A 2 2 THR CB C 2 69.660 68.251 1.409 1
1 4 . 5 1 1 A 3 3 GLN H H 3 8.502 7.664 0.838 1
1 5 . 5 1 1 A 3 3 GLN HA H 3 4.485 4.200 0.285 1
1 9 . 5 1 1 A 3 3 GLN C C 3 175.680 175.759 -0.079 1
1 10 . 5 1 1 A 3 3 GLN CA C 3 55.490 57.367 -1.877 1
1 11 . 5 1 1 A 3 3 GLN CB C 3 28.570 29.366 -0.796 1
1 13 . 5 1 1 A 3 3 GLN N N 3 123.346 123.514 -0.168 1
1 14 . 5 1 1 A 4 4 SER H H 4 8.586 8.762 -0.176 1
1 15 . 5 1 1 A 4 4 SER HA H 4 4.860 4.849 0.011 1
1 18 . 5 1 1 A 4 4 SER C C 4 173.240 173.869 -0.629 1
1 19 . 5 1 1 A 4 4 SER CA C 4 56.280 56.472 -0.192 1
1 20 . 5 1 1 A 4 4 SER CB C 4 63.080 65.513 -2.433 1
1 21 . 5 1 1 A 4 4 SER N N 4 119.430 115.410 4.020 1
1 22 . 5 1 1 A 5 5 PRO HA H 5 4.490 4.270 0.220 1
1 29 . 5 1 1 A 5 5 PRO C C 5 178.020 178.356 -0.336 1
1 30 . 5 1 1 A 5 5 PRO CA C 5 63.740 65.354 -1.614 1
1 31 . 5 1 1 A 5 5 PRO CB C 5 30.120 31.718 -1.598 1
1 34 . 5 1 1 A 6 6 GLY H H 6 8.420 8.416 0.004 1
1 35 . 5 1 1 A 6 6 GLY HA3 H 6 3.980 3.867 0.113 1
1 36 . 5 1 1 A 6 6 GLY C C 6 174.600 175.886 -1.286 1
1 37 . 5 1 1 A 6 6 GLY CA C 6 45.580 46.724 -1.144 1
1 38 . 5 1 1 A 6 6 GLY N N 6 108.250 105.404 2.846 1
1 39 . 5 1 1 A 7 7 ASP H H 7 8.080 8.125 -0.045 1
1 40 . 5 1 1 A 7 7 ASP HA H 7 4.660 4.455 0.205 1
1 42 . 5 1 1 A 7 7 ASP C C 7 177.440 178.393 -0.953 1
1 43 . 5 1 1 A 7 7 ASP CA C 7 54.960 55.929 -0.969 1
1 44 . 5 1 1 A 7 7 ASP CB C 7 40.740 40.414 0.326 1
1 45 . 5 1 1 A 7 7 ASP N N 7 121.210 120.864 0.346 1
1 46 . 5 1 1 A 8 8 SER H H 8 8.363 8.475 -0.112 1
1 47 . 5 1 1 A 8 8 SER HA H 8 4.330 4.192 0.138 1
1 49 . 5 1 1 A 8 8 SER C C 8 177.520 177.171 0.349 1
1 50 . 5 1 1 A 8 8 SER CA C 8 59.990 61.224 -1.234 1
1 51 . 5 1 1 A 8 8 SER CB C 8 62.540 63.080 -0.540 1
1 52 . 5 1 1 A 8 8 SER N N 8 117.020 115.621 1.399 1
1 53 . 5 1 1 A 9 9 ARG H H 9 8.270 8.217 0.053 1
1 54 . 5 1 1 A 9 9 ARG HA H 9 4.820 4.150 0.670 1
1 59 . 5 1 1 A 9 9 ARG C C 9 177.800 178.979 -1.179 1
1 60 . 5 1 1 A 9 9 ARG CA C 9 58.170 58.929 -0.759 1
1 61 . 5 1 1 A 9 9 ARG CB C 9 29.490 29.677 -0.187 1
1 64 . 5 1 1 A 9 9 ARG N N 9 123.050 121.822 1.228 1
1 65 . 5 1 1 A 10 10 ARG H H 10 8.030 7.418 0.612 1
1 66 . 5 1 1 A 10 10 ARG HA H 10 4.100 4.050 0.050 1
1 73 . 5 1 1 A 10 10 ARG C C 10 177.900 178.968 -1.068 1
1 74 . 5 1 1 A 10 10 ARG CA C 10 57.100 58.767 -1.667 1
1 75 . 5 1 1 A 10 10 ARG CB C 10 29.490 29.814 -0.324 1
1 78 . 5 1 1 A 10 10 ARG N N 10 119.730 118.961 0.769 1
1 79 . 5 1 1 A 11 11 LEU H H 11 8.100 8.530 -0.430 1
1 80 . 5 1 1 A 11 11 LEU HA H 11 4.220 4.097 0.123 1
1 87 . 5 1 1 A 11 11 LEU C C 11 178.600 179.234 -0.634 1
1 88 . 5 1 1 A 11 11 LEU CA C 11 57.100 57.110 -0.010 1
1 89 . 5 1 1 A 11 11 LEU CB C 11 41.270 41.727 -0.457 1
1 92 . 5 1 1 A 11 11 LEU N N 11 120.770 120.706 0.064 1
1 93 . 5 1 1 A 12 12 SER H H 12 8.052 8.194 -0.142 1
1 94 . 5 1 1 A 12 12 SER HA H 12 4.250 4.160 0.090 1
1 97 . 5 1 1 A 12 12 SER C C 12 178.790 176.505 2.285 1
1 98 . 5 1 1 A 12 12 SER CA C 12 60.960 61.445 -0.485 1
1 99 . 5 1 1 A 12 12 SER CB C 12 62.580 62.943 -0.363 1
1 100 . 5 1 1 A 12 12 SER N N 12 115.760 114.404 1.356 1
1 101 . 5 1 1 A 13 13 ILE H H 13 8.000 7.705 0.295 1
1 102 . 5 1 1 A 13 13 ILE HA H 13 3.730 3.838 -0.108 1
1 112 . 5 1 1 A 13 13 ILE C C 13 179.740 177.992 1.748 1
1 113 . 5 1 1 A 13 13 ILE CA C 13 64.920 64.408 0.512 1
1 114 . 5 1 1 A 13 13 ILE CB C 13 37.200 37.191 0.009 1
1 118 . 5 1 1 A 13 13 ILE N N 13 123.290 118.781 4.509 1
1 119 . 5 1 1 A 14 14 GLN H H 14 8.110 8.025 0.085 1
1 120 . 5 1 1 A 14 14 GLN HA H 14 4.030 3.922 0.108 1
1 124 . 5 1 1 A 14 14 GLN C C 14 178.850 178.643 0.207 1
1 125 . 5 1 1 A 14 14 GLN CA C 14 59.170 59.248 -0.078 1
1 126 . 5 1 1 A 14 14 GLN CB C 14 27.810 28.254 -0.444 1
1 128 . 5 1 1 A 14 14 GLN N N 14 119.020 121.026 -2.006 1
1 129 . 5 1 1 A 15 15 ARG H H 15 8.360 7.792 0.568 1
1 130 . 5 1 1 A 15 15 ARG HA H 15 3.980 3.994 -0.014 1
1 137 . 5 1 1 A 15 15 ARG C C 15 177.020 178.780 -1.760 1
1 138 . 5 1 1 A 15 15 ARG CA C 15 59.030 59.066 -0.036 1
1 139 . 5 1 1 A 15 15 ARG CB C 15 29.460 30.102 -0.642 1
1 142 . 5 1 1 A 15 15 ARG N N 15 118.820 119.398 -0.578 1
1 143 . 5 1 1 A 16 16 ALA H H 16 8.000 7.740 0.260 1
1 144 . 5 1 1 A 16 16 ALA HA H 16 4.230 4.075 0.155 1
1 148 . 5 1 1 A 16 16 ALA C C 16 179.750 179.954 -0.204 1
1 149 . 5 1 1 A 16 16 ALA CA C 16 55.190 54.969 0.221 1
1 150 . 5 1 1 A 16 16 ALA CB C 16 18.020 18.109 -0.089 1
1 151 . 5 1 1 A 16 16 ALA N N 16 123.800 121.665 2.135 1
1 152 . 5 1 1 A 17 17 ILE H H 17 8.490 9.044 -0.554 1
1 153 . 5 1 1 A 17 17 ILE HA H 17 3.760 3.529 0.231 1
1 163 . 5 1 1 A 17 17 ILE C C 17 178.300 178.020 0.280 1
1 164 . 5 1 1 A 17 17 ILE CA C 17 64.710 65.556 -0.846 1
1 165 . 5 1 1 A 17 17 ILE CB C 17 36.560 37.508 -0.948 1
1 169 . 5 1 1 A 17 17 ILE N N 17 118.260 118.948 -0.688 1
1 170 . 5 1 1 A 18 18 GLN H H 18 8.230 9.152 -0.922 1
1 171 . 5 1 1 A 18 18 GLN HA H 18 4.110 3.963 0.147 1
1 175 . 5 1 1 A 18 18 GLN C C 18 178.950 178.044 0.906 1
1 176 . 5 1 1 A 18 18 GLN CA C 18 59.030 58.931 0.099 1
1 177 . 5 1 1 A 18 18 GLN CB C 18 27.540 28.134 -0.594 1
1 179 . 5 1 1 A 18 18 GLN N N 18 118.800 118.733 0.067 1
1 180 . 5 1 1 A 19 19 SER H H 19 8.230 7.674 0.556 1
1 181 . 5 1 1 A 19 19 SER HA H 19 4.430 4.497 -0.067 1
1 184 . 5 1 1 A 19 19 SER C C 19 176.120 176.988 -0.868 1
1 185 . 5 1 1 A 19 19 SER CA C 19 61.600 61.252 0.348 1
1 186 . 5 1 1 A 19 19 SER CB C 19 62.580 63.039 -0.459 1
1 187 . 5 1 1 A 19 19 SER N N 19 116.040 115.296 0.744 1
1 188 . 5 1 1 A 20 20 LEU H H 20 8.250 9.338 -1.088 1
1 189 . 5 1 1 A 20 20 LEU HA H 20 4.090 4.077 0.013 1
1 199 . 5 1 1 A 20 20 LEU C C 20 177.180 178.622 -1.442 1
1 200 . 5 1 1 A 20 20 LEU CA C 20 58.390 58.052 0.338 1
1 201 . 5 1 1 A 20 20 LEU CB C 20 41.810 41.812 -0.002 1
1 205 . 5 1 1 A 20 20 LEU N N 20 125.460 123.121 2.339 1
1 206 . 5 1 1 A 21 21 VAL H H 21 8.520 9.111 -0.591 1
1 207 . 5 1 1 A 21 21 VAL HA H 21 3.340 3.529 -0.189 1
1 212 . 5 1 1 A 21 21 VAL C C 21 178.430 178.218 0.212 1
1 213 . 5 1 1 A 21 21 VAL CA C 21 66.510 66.513 -0.003 1
1 214 . 5 1 1 A 21 21 VAL CB C 21 31.270 31.507 -0.237 1
1 217 . 5 1 1 A 21 21 VAL N N 21 118.590 119.062 -0.472 1
1 218 . 5 1 1 A 22 22 HIS H H 22 7.950 7.895 0.055 1
1 219 . 5 1 1 A 22 22 HIS HA H 22 4.260 4.212 0.048 1
1 222 . 5 1 1 A 22 22 HIS C C 22 178.020 177.352 0.668 1
1 223 . 5 1 1 A 22 22 HIS CA C 22 59.770 59.871 -0.101 1
1 224 . 5 1 1 A 22 22 HIS CB C 22 27.230 29.738 -2.508 1
1 225 . 5 1 1 A 22 22 HIS N N 22 115.760 119.184 -3.424 1
1 226 . 5 1 1 A 23 23 ALA H H 23 8.580 9.523 -0.943 1
1 227 . 5 1 1 A 23 23 ALA HA H 23 4.190 3.936 0.254 1
1 231 . 5 1 1 A 23 23 ALA C C 23 179.210 179.029 0.181 1
1 232 . 5 1 1 A 23 23 ALA CA C 23 54.420 54.844 -0.424 1
1 233 . 5 1 1 A 23 23 ALA CB C 23 19.010 17.979 1.031 1
1 234 . 5 1 1 A 23 23 ALA N N 23 121.190 120.830 0.360 1
1 235 . 5 1 1 A 24 24 ALA H H 24 8.240 8.026 0.214 1
1 236 . 5 1 1 A 24 24 ALA HA H 24 4.110 4.101 0.009 1
1 240 . 5 1 1 A 24 24 ALA C C 24 177.610 177.975 -0.365 1
1 241 . 5 1 1 A 24 24 ALA CA C 24 53.540 52.804 0.736 1
1 242 . 5 1 1 A 24 24 ALA CB C 24 18.060 18.933 -0.873 1
1 243 . 5 1 1 A 24 24 ALA N N 24 116.530 118.893 -2.363 1
1 244 . 5 1 1 A 25 25 GLN H H 25 7.230 7.748 -0.518 1
1 245 . 5 1 1 A 25 25 GLN HA H 25 4.540 4.421 0.119 1
1 250 . 5 1 1 A 25 25 GLN C C 25 174.530 176.285 -1.755 1
1 251 . 5 1 1 A 25 25 GLN CA C 25 54.400 56.161 -1.761 1
1 252 . 5 1 1 A 25 25 GLN CB C 25 30.090 31.209 -1.119 1
1 254 . 5 1 1 A 25 25 GLN N N 25 112.050 114.694 -2.644 1
1 255 . 5 1 1 A 26 26 CYS H H 26 7.320 8.539 -1.219 1
1 256 . 5 1 1 A 26 26 CYS HA H 26 3.920 4.434 -0.514 1
1 259 . 5 1 1 A 26 26 CYS C C 26 176.230 174.208 2.022 1
1 260 . 5 1 1 A 26 26 CYS CA C 26 60.480 57.557 2.923 1
1 261 . 5 1 1 A 26 26 CYS CB C 26 28.470 26.692 1.778 1
1 262 . 5 1 1 A 26 26 CYS N N 26 124.310 119.308 5.002 1
1 263 . 5 1 1 A 27 27 ARG H H 27 8.840 8.636 0.204 1
1 264 . 5 1 1 A 27 27 ARG HA H 27 4.650 4.358 0.292 1
1 271 . 5 1 1 A 27 27 ARG C C 27 175.270 176.194 -0.924 1
1 272 . 5 1 1 A 27 27 ARG CA C 27 54.320 54.918 -0.598 1
1 273 . 5 1 1 A 27 27 ARG CB C 27 29.490 28.626 0.864 1
1 276 . 5 1 1 A 27 27 ARG N N 27 129.620 128.185 1.435 1
1 277 . 5 1 1 A 28 28 ASN H H 28 7.930 7.821 0.109 1
1 278 . 5 1 1 A 28 28 ASN HA H 28 4.890 4.520 0.370 1
1 281 . 5 1 1 A 28 28 ASN C C 28 175.240 175.122 0.118 1
1 282 . 5 1 1 A 28 28 ASN CA C 28 51.540 56.093 -4.553 1
1 283 . 5 1 1 A 28 28 ASN CB C 28 38.460 39.226 -0.766 1
1 284 . 5 1 1 A 28 28 ASN N N 28 120.580 122.966 -2.386 1
1 285 . 5 1 1 A 29 29 ALA H H 29 9.100 7.890 1.210 1
1 286 . 5 1 1 A 29 29 ALA HA H 29 4.120 3.954 0.166 1
1 290 . 5 1 1 A 29 29 ALA C C 29 178.010 177.382 0.628 1
1 291 . 5 1 1 A 29 29 ALA CA C 29 54.040 55.122 -1.082 1
1 292 . 5 1 1 A 29 29 ALA CB C 29 18.020 16.947 1.073 1
1 293 . 5 1 1 A 29 29 ALA N N 29 130.290 120.633 9.657 1
1 294 . 5 1 1 A 30 30 ASN H H 30 8.080 8.229 -0.149 1
1 295 . 5 1 1 A 30 30 ASN HA H 30 4.900 4.866 0.034 1
1 298 . 5 1 1 A 30 30 ASN C C 30 174.150 174.952 -0.802 1
1 299 . 5 1 1 A 30 30 ASN CA C 30 51.490 53.245 -1.755 1
1 300 . 5 1 1 A 30 30 ASN CB C 30 38.200 39.074 -0.874 1
1 301 . 5 1 1 A 30 30 ASN N N 30 114.290 115.022 -0.732 1
1 302 . 5 1 1 A 31 31 CYS H H 31 7.170 7.394 -0.224 1
1 303 . 5 1 1 A 31 31 CYS HA H 31 4.079 4.316 -0.237 1
1 306 . 5 1 1 A 31 31 CYS C C 31 176.800 176.204 0.596 1
1 307 . 5 1 1 A 31 31 CYS CA C 31 61.430 59.986 1.444 1
1 308 . 5 1 1 A 31 31 CYS CB C 31 29.428 28.478 0.950 1
1 309 . 5 1 1 A 31 31 CYS N N 31 123.080 120.746 2.334 1
1 310 . 5 1 1 A 32 32 SER H H 32 8.740 8.871 -0.131 1
1 311 . 5 1 1 A 32 32 SER HA H 32 4.150 4.518 -0.368 1
1 314 . 5 1 1 A 32 32 SER C C 32 174.850 174.162 0.688 1
1 315 . 5 1 1 A 32 32 SER CA C 32 57.570 58.598 -1.028 1
1 316 . 5 1 1 A 32 32 SER CB C 32 63.540 63.810 -0.270 1
1 317 . 5 1 1 A 32 32 SER N N 32 124.210 120.728 3.482 1
1 318 . 5 1 1 A 33 33 LEU H H 33 8.520 7.212 1.308 1
1 319 . 5 1 1 A 33 33 LEU HA H 33 4.570 4.605 -0.035 1
1 329 . 5 1 1 A 33 33 LEU C C 33 176.850 175.993 0.857 1
1 330 . 5 1 1 A 33 33 LEU CA C 33 54.080 51.206 2.874 1
1 331 . 5 1 1 A 33 33 LEU CB C 33 40.420 41.613 -1.193 1
1 335 . 5 1 1 A 33 33 LEU N N 33 128.730 124.406 4.324 1
1 336 . 5 1 1 A 34 34 PRO HA H 34 4.360 4.327 0.033 1
1 343 . 5 1 1 A 34 34 PRO C C 34 178.380 178.144 0.236 1
1 344 . 5 1 1 A 34 34 PRO CA C 34 64.970 65.106 -0.136 1
1 345 . 5 1 1 A 34 34 PRO CB C 34 31.230 31.988 -0.758 1
1 348 . 5 1 1 A 35 35 SER H H 35 8.300 8.482 -0.182 1
1 349 . 5 1 1 A 35 35 SER HA H 35 4.320 4.232 0.088 1
1 352 . 5 1 1 A 35 35 SER C C 35 178.350 176.541 1.809 1
1 353 . 5 1 1 A 35 35 SER CA C 35 59.953 61.422 -1.469 1
1 354 . 5 1 1 A 35 35 SER CB C 35 62.470 62.830 -0.360 1
1 355 . 5 1 1 A 35 35 SER N N 35 111.680 113.404 -1.724 1
1 356 . 5 1 1 A 36 36 CYS H H 36 7.500 8.892 -1.392 1
1 357 . 5 1 1 A 36 36 CYS HA H 36 4.242 4.145 0.097 1
1 360 . 5 1 1 A 36 36 CYS C C 36 176.630 177.111 -0.481 1
1 361 . 5 1 1 A 36 36 CYS CA C 36 63.710 63.628 0.082 1
1 362 . 5 1 1 A 36 36 CYS CB C 36 29.170 27.482 1.688 1
1 363 . 5 1 1 A 36 36 CYS N N 36 125.580 120.098 5.482 1
1 364 . 5 1 1 A 37 37 GLN H H 37 8.170 7.836 0.334 1
1 365 . 5 1 1 A 37 37 GLN HA H 37 4.010 3.984 0.026 1
1 369 . 5 1 1 A 37 37 GLN C C 37 178.900 177.864 1.036 1
1 370 . 5 1 1 A 37 37 GLN CA C 37 59.580 58.706 0.874 1
1 371 . 5 1 1 A 37 37 GLN CB C 37 27.560 28.459 -0.899 1
1 373 . 5 1 1 A 37 37 GLN N N 37 116.020 120.135 -4.115 1
1 374 . 5 1 1 A 38 38 LYS H H 38 7.840 7.718 0.122 1
1 375 . 5 1 1 A 38 38 LYS HA H 38 4.079 4.142 -0.063 1
1 381 . 5 1 1 A 38 38 LYS C C 38 179.300 179.529 -0.229 1
1 382 . 5 1 1 A 38 38 LYS CA C 38 59.280 59.147 0.133 1
1 383 . 5 1 1 A 38 38 LYS CB C 38 32.120 31.986 0.134 1
1 387 . 5 1 1 A 38 38 LYS N N 38 117.000 120.054 -3.054 1
1 388 . 5 1 1 A 39 39 MET H H 39 8.270 8.275 -0.005 1
1 389 . 5 1 1 A 39 39 MET HA H 39 4.580 4.230 0.350 1
1 394 . 5 1 1 A 39 39 MET C C 39 179.710 178.876 0.834 1
1 395 . 5 1 1 A 39 39 MET CA C 39 56.330 58.762 -2.432 1
1 396 . 5 1 1 A 39 39 MET CB C 39 31.180 31.780 -0.600 1
1 398 . 5 1 1 A 39 39 MET N N 39 118.020 117.726 0.294 1
1 399 . 5 1 1 A 40 40 LYS H H 40 9.530 8.910 0.620 1
1 400 . 5 1 1 A 40 40 LYS HA H 40 3.860 4.026 -0.166 1
1 406 . 5 1 1 A 40 40 LYS C C 40 179.620 178.900 0.720 1
1 407 . 5 1 1 A 40 40 LYS CA C 40 61.360 59.984 1.376 1
1 408 . 5 1 1 A 40 40 LYS CB C 40 32.120 32.172 -0.052 1
1 412 . 5 1 1 A 40 40 LYS N N 40 122.280 119.305 2.975 1
1 413 . 5 1 1 A 41 41 ARG H H 41 7.560 7.732 -0.172 1
1 414 . 5 1 1 A 41 41 ARG HA H 41 4.200 4.140 0.060 1
1 421 . 5 1 1 A 41 41 ARG C C 41 179.650 178.898 0.752 1
1 422 . 5 1 1 A 41 41 ARG CA C 41 59.350 58.696 0.654 1
1 423 . 5 1 1 A 41 41 ARG CB C 41 29.300 29.842 -0.542 1
1 426 . 5 1 1 A 41 41 ARG N N 41 117.590 120.097 -2.507 1
1 427 . 5 1 1 A 42 42 VAL H H 42 7.570 7.482 0.088 1
1 428 . 5 1 1 A 42 42 VAL HA H 42 3.670 3.680 -0.010 1
1 436 . 5 1 1 A 42 42 VAL C C 42 177.480 178.558 -1.078 1
1 437 . 5 1 1 A 42 42 VAL CA C 42 66.420 66.195 0.225 1
1 438 . 5 1 1 A 42 42 VAL CB C 42 30.700 31.748 -1.048 1
1 441 . 5 1 1 A 42 42 VAL N N 42 121.450 119.539 1.911 1
1 442 . 5 1 1 A 43 43 VAL H H 43 8.450 8.880 -0.430 1
1 443 . 5 1 1 A 43 43 VAL HA H 43 3.540 3.693 -0.153 1
1 448 . 5 1 1 A 43 43 VAL C C 43 178.950 178.146 0.804 1
1 449 . 5 1 1 A 43 43 VAL CA C 43 66.940 66.607 0.333 1
1 450 . 5 1 1 A 43 43 VAL CB C 43 31.090 31.770 -0.680 1
1 452 . 5 1 1 A 43 43 VAL N N 43 120.380 120.812 -0.432 1
1 453 . 5 1 1 A 44 44 GLN H H 44 8.400 9.518 -1.118 1
1 454 . 5 1 1 A 44 44 GLN HA H 44 4.020 4.004 0.016 1
1 457 . 5 1 1 A 44 44 GLN C C 44 177.240 178.430 -1.190 1
1 458 . 5 1 1 A 44 44 GLN CA C 44 58.550 58.811 -0.261 1
1 459 . 5 1 1 A 44 44 GLN CB C 44 27.550 28.201 -0.651 1
1 461 . 5 1 1 A 44 44 GLN N N 44 119.280 117.988 1.292 1
1 462 . 5 1 1 A 45 45 HIS H H 45 8.070 8.058 0.012 1
1 463 . 5 1 1 A 45 45 HIS HA H 45 4.280 4.306 -0.026 1
1 465 . 5 1 1 A 45 45 HIS C C 45 177.800 177.080 0.720 1
1 466 . 5 1 1 A 45 45 HIS CA C 45 59.440 59.118 0.322 1
1 467 . 5 1 1 A 45 45 HIS CB C 45 26.760 29.787 -3.027 1
1 468 . 5 1 1 A 45 45 HIS N N 45 119.000 121.383 -2.383 1
1 469 . 5 1 1 A 46 46 THR H H 46 7.800 8.836 -1.036 1
1 470 . 5 1 1 A 46 46 THR HA H 46 3.870 3.676 0.194 1
1 475 . 5 1 1 A 46 46 THR C C 46 175.850 176.407 -0.557 1
1 476 . 5 1 1 A 46 46 THR CA C 46 65.410 66.864 -1.454 1
1 477 . 5 1 1 A 46 46 THR CB C 46 68.850 68.620 0.230 1
1 479 . 5 1 1 A 46 46 THR N N 46 110.300 115.390 -5.090 1
1 480 . 5 1 1 A 47 47 LYS H H 47 7.310 8.148 -0.838 1
1 481 . 5 1 1 A 47 47 LYS HA H 47 4.100 4.076 0.024 1
1 488 . 5 1 1 A 47 47 LYS C C 47 177.640 179.856 -2.216 1
1 489 . 5 1 1 A 47 47 LYS CA C 47 58.310 59.354 -1.044 1
1 490 . 5 1 1 A 47 47 LYS CB C 47 31.420 32.097 -0.677 1
1 494 . 5 1 1 A 47 47 LYS N N 47 120.240 119.537 0.703 1
1 495 . 5 1 1 A 48 48 GLY H H 48 7.159 7.578 -0.419 1
1 496 . 5 1 1 A 48 48 GLY HA2 H 48 4.410 3.919 0.491 1
1 497 . 5 1 1 A 48 48 GLY HA3 H 48 3.680 3.946 -0.266 1
1 498 . 5 1 1 A 48 48 GLY C C 48 173.850 174.316 -0.466 1
1 499 . 5 1 1 A 48 48 GLY CA C 48 44.433 46.775 -2.342 1
1 500 . 5 1 1 A 48 48 GLY N N 48 103.360 106.767 -3.407 1
1 501 . 5 1 1 A 49 49 CYS H H 49 6.910 7.217 -0.307 1
1 502 . 5 1 1 A 49 49 CYS HA H 49 4.020 4.685 -0.665 1
1 505 . 5 1 1 A 49 49 CYS C C 49 176.710 174.195 2.515 1
1 506 . 5 1 1 A 49 49 CYS CA C 49 60.620 57.356 3.264 1
1 507 . 5 1 1 A 49 49 CYS CB C 49 29.260 28.715 0.545 1
1 508 . 5 1 1 A 49 49 CYS N N 49 123.280 119.004 4.276 1
1 509 . 5 1 1 A 50 50 LYS H H 50 8.960 8.972 -0.012 1
1 510 . 5 1 1 A 50 50 LYS HA H 50 3.980 4.125 -0.145 1
1 519 . 5 1 1 A 50 50 LYS C C 50 177.580 178.813 -1.233 1
1 520 . 5 1 1 A 50 50 LYS CA C 50 56.280 58.718 -2.438 1
1 521 . 5 1 1 A 50 50 LYS CB C 50 32.150 32.480 -0.330 1
1 525 . 5 1 1 A 50 50 LYS N N 50 128.200 125.630 2.570 1
1 526 . 5 1 1 A 51 51 ARG H H 51 8.530 7.940 0.590 1
1 527 . 5 1 1 A 51 51 ARG HA H 51 4.460 4.132 0.328 1
1 533 . 5 1 1 A 51 51 ARG C C 51 176.700 178.540 -1.840 1
1 534 . 5 1 1 A 51 51 ARG CA C 51 57.203 59.275 -2.072 1
1 535 . 5 1 1 A 51 51 ARG CB C 51 30.969 29.975 0.994 1
1 538 . 5 1 1 A 51 51 ARG N N 51 122.350 120.993 1.357 1
1 539 . 5 1 1 A 52 52 LYS H H 52 8.420 7.802 0.618 1
1 540 . 5 1 1 A 52 52 LYS HA H 52 4.470 4.218 0.252 1
1 549 . 5 1 1 A 52 52 LYS C C 52 177.300 179.349 -2.049 1
1 550 . 5 1 1 A 52 52 LYS CA C 52 57.600 58.788 -1.188 1
1 551 . 5 1 1 A 52 52 LYS CB C 52 31.627 31.979 -0.352 1
1 555 . 5 1 1 A 52 52 LYS N N 52 118.820 119.181 -0.361 1
1 556 . 5 1 1 A 53 53 THR H H 53 7.760 7.670 0.090 1
1 557 . 5 1 1 A 53 53 THR HA H 53 4.230 4.094 0.136 1
1 562 . 5 1 1 A 53 53 THR C C 53 175.700 175.253 0.447 1
1 563 . 5 1 1 A 53 53 THR CA C 53 63.390 65.902 -2.512 1
1 564 . 5 1 1 A 53 53 THR CB C 53 68.220 68.612 -0.392 1
1 566 . 5 1 1 A 53 53 THR N N 53 112.860 117.845 -4.985 1
1 567 . 5 1 1 A 54 54 ASN H H 54 8.260 7.732 0.528 1
1 568 . 5 1 1 A 54 54 ASN HA H 54 4.110 4.748 -0.638 1
1 570 . 5 1 1 A 54 54 ASN C C 54 175.970 175.627 0.343 1
1 571 . 5 1 1 A 54 54 ASN CA C 54 53.300 53.160 0.140 1
1 572 . 5 1 1 A 54 54 ASN CB C 54 37.810 38.924 -1.114 1
1 573 . 5 1 1 A 54 54 ASN N N 54 119.690 116.523 3.167 1
1 574 . 5 1 1 A 55 55 GLY H H 55 7.960 8.164 -0.204 1
1 575 . 5 1 1 A 55 55 GLY HA2 H 55 4.010 3.943 0.067 1
1 576 . 5 1 1 A 55 55 GLY HA3 H 55 4.010 3.954 0.056 1
1 577 . 5 1 1 A 55 55 GLY C C 55 175.270 175.812 -0.542 1
1 578 . 5 1 1 A 55 55 GLY CA C 55 45.610 45.422 0.188 1
1 579 . 5 1 1 A 55 55 GLY N N 55 107.340 107.022 0.318 1
1 580 . 5 1 1 A 56 56 GLY H H 56 7.820 7.648 0.172 1
1 581 . 5 1 1 A 56 56 GLY HA2 H 56 3.970 3.885 0.085 1
1 582 . 5 1 1 A 56 56 GLY HA3 H 56 3.970 3.889 0.081 1
1 583 . 5 1 1 A 56 56 GLY C C 56 173.320 174.657 -1.337 1
1 584 . 5 1 1 A 56 56 GLY CA C 56 45.350 47.373 -2.023 1
1 585 . 5 1 1 A 56 56 GLY N N 56 107.080 107.481 -0.401 1
1 586 . 5 1 1 A 57 57 CYS H H 57 8.010 7.737 0.273 1
1 587 . 5 1 1 A 57 57 CYS HA H 57 4.870 4.729 0.141 1
1 590 . 5 1 1 A 57 57 CYS C C 57 175.610 174.691 0.919 1
1 591 . 5 1 1 A 57 57 CYS CA C 57 55.340 56.949 -1.609 1
1 592 . 5 1 1 A 57 57 CYS CB C 57 30.160 28.707 1.453 1
1 593 . 5 1 1 A 57 57 CYS N N 57 122.570 118.192 4.378 1
1 594 . 5 1 1 A 58 58 PRO HA H 58 4.320 4.299 0.021 1
1 601 . 5 1 1 A 58 58 PRO CA C 58 64.550 65.296 -0.746 1
1 602 . 5 1 1 A 58 58 PRO CB C 58 32.050 31.870 0.180 1
1 605 . 5 1 1 A 59 59 ILE H H 59 7.917 7.126 0.791 1
1 606 . 5 1 1 A 59 59 ILE HA H 59 3.550 3.858 -0.308 1
1 616 . 5 1 1 A 59 59 ILE C C 59 178.040 178.038 0.002 1
1 617 . 5 1 1 A 59 59 ILE CA C 59 64.540 64.419 0.121 1
1 618 . 5 1 1 A 59 59 ILE CB C 59 38.160 38.047 0.113 1
1 622 . 5 1 1 A 59 59 ILE N N 59 120.680 116.698 3.982 1
1 623 . 5 1 1 A 60 60 CYS H H 60 8.920 8.274 0.646 1
1 624 . 5 1 1 A 60 60 CYS HA H 60 4.105 4.071 0.034 1
1 627 . 5 1 1 A 60 60 CYS C C 60 177.540 177.258 0.282 1
1 628 . 5 1 1 A 60 60 CYS CA C 60 66.000 63.245 2.755 1
1 629 . 5 1 1 A 60 60 CYS CB C 60 28.750 27.593 1.157 1
1 630 . 5 1 1 A 60 60 CYS N N 60 123.890 118.772 5.118 1
1 631 . 5 1 1 A 61 61 LYS H H 61 8.100 8.837 -0.737 1
1 632 . 5 1 1 A 61 61 LYS HA H 61 3.920 3.886 0.034 1
1 639 . 5 1 1 A 61 61 LYS C C 61 179.030 178.386 0.644 1
1 640 . 5 1 1 A 61 61 LYS CA C 61 59.610 59.734 -0.124 1
1 641 . 5 1 1 A 61 61 LYS CB C 61 32.040 32.550 -0.510 1
1 645 . 5 1 1 A 61 61 LYS N N 61 117.130 121.609 -4.479 1
1 646 . 5 1 1 A 62 62 GLN H H 62 7.010 8.402 -1.392 1
1 647 . 5 1 1 A 62 62 GLN HA H 62 4.150 4.138 0.012 1
1 652 . 5 1 1 A 62 62 GLN C C 62 178.340 178.159 0.181 1
1 653 . 5 1 1 A 62 62 GLN CA C 62 58.520 58.635 -0.115 1
1 654 . 5 1 1 A 62 62 GLN CB C 62 27.587 28.220 -0.633 1
1 656 . 5 1 1 A 62 62 GLN N N 62 117.000 118.437 -1.437 1
1 657 . 5 1 1 A 63 63 LEU H H 63 7.980 8.068 -0.088 1
1 658 . 5 1 1 A 63 63 LEU HA H 63 4.160 4.029 0.131 1
1 667 . 5 1 1 A 63 63 LEU C C 63 179.060 178.097 0.963 1
1 668 . 5 1 1 A 63 63 LEU CA C 63 57.830 58.121 -0.291 1
1 669 . 5 1 1 A 63 63 LEU CB C 63 41.270 41.250 0.020 1
1 673 . 5 1 1 A 63 63 LEU N N 63 119.730 121.225 -1.495 1
1 674 . 5 1 1 A 64 64 ILE H H 64 8.481 8.749 -0.268 1
1 675 . 5 1 1 A 64 64 ILE HA H 64 3.650 3.311 0.339 1
1 685 . 5 1 1 A 64 64 ILE C C 64 179.930 177.992 1.938 1
1 686 . 5 1 1 A 64 64 ILE CA C 64 65.220 65.851 -0.631 1
1 687 . 5 1 1 A 64 64 ILE CB C 64 36.960 37.783 -0.823 1
1 691 . 5 1 1 A 64 64 ILE N N 64 120.350 119.637 0.713 1
1 692 . 5 1 1 A 65 65 ALA H H 65 7.300 7.747 -0.447 1
1 693 . 5 1 1 A 65 65 ALA HA H 65 4.200 3.971 0.229 1
1 697 . 5 1 1 A 65 65 ALA C C 65 180.010 180.149 -0.139 1
1 698 . 5 1 1 A 65 65 ALA CA C 65 54.940 55.238 -0.298 1
1 699 . 5 1 1 A 65 65 ALA CB C 65 18.010 18.251 -0.241 1
1 700 . 5 1 1 A 65 65 ALA N N 65 122.510 122.978 -0.468 1
1 701 . 5 1 1 A 66 66 LEU H H 66 8.120 8.614 -0.494 1
1 702 . 5 1 1 A 66 66 LEU HA H 66 4.100 4.310 -0.210 1
1 712 . 5 1 1 A 66 66 LEU C C 66 179.480 178.564 0.916 1
1 713 . 5 1 1 A 66 66 LEU CA C 66 57.540 57.985 -0.445 1
1 714 . 5 1 1 A 66 66 LEU CB C 66 41.940 41.434 0.506 1
1 718 . 5 1 1 A 66 66 LEU N N 66 115.490 120.503 -5.013 1
1 719 . 5 1 1 A 67 67 ALA H H 67 8.840 9.120 -0.280 1
1 720 . 5 1 1 A 67 67 ALA HA H 67 4.000 4.142 -0.142 1
1 724 . 5 1 1 A 67 67 ALA C C 67 179.000 179.561 -0.561 1
1 725 . 5 1 1 A 67 67 ALA CA C 67 55.490 55.261 0.229 1
1 726 . 5 1 1 A 67 67 ALA CB C 67 18.460 18.353 0.107 1
1 727 . 5 1 1 A 67 67 ALA N N 67 121.500 120.700 0.800 1
1 728 . 5 1 1 A 68 68 ALA H H 68 8.500 8.239 0.261 1
1 729 . 5 1 1 A 68 68 ALA HA H 68 4.160 3.971 0.189 1
1 733 . 5 1 1 A 68 68 ALA C C 68 179.070 179.559 -0.489 1
1 734 . 5 1 1 A 68 68 ALA CA C 68 55.290 54.976 0.314 1
1 735 . 5 1 1 A 68 68 ALA CB C 68 17.524 19.143 -1.619 1
1 736 . 5 1 1 A 68 68 ALA N N 68 120.100 119.876 0.224 1
1 737 . 5 1 1 A 69 69 TYR H H 69 7.850 7.798 0.052 1
1 738 . 5 1 1 A 69 69 TYR HA H 69 4.310 4.347 -0.037 1
1 741 . 5 1 1 A 69 69 TYR CA C 69 56.141 60.911 -4.770 1
1 742 . 5 1 1 A 69 69 TYR CB C 69 37.943 37.988 -0.045 1
1 743 . 5 1 1 A 69 69 TYR N N 69 118.930 116.053 2.877 1
1 744 . 5 1 1 A 70 70 HIS H H 70 7.960 8.091 -0.131 1
1 745 . 5 1 1 A 70 70 HIS HA H 70 4.510 4.339 0.171 1
1 748 . 5 1 1 A 70 70 HIS CA C 70 54.640 60.582 -5.942 1
1 749 . 5 1 1 A 70 70 HIS CB C 70 27.560 29.626 -2.066 1
1 750 . 5 1 1 A 70 70 HIS N N 70 125.790 119.648 6.142 1
1 751 . 5 1 1 A 71 71 ALA H H 71 9.190 9.381 -0.191 1
1 752 . 5 1 1 A 71 71 ALA HA H 71 3.960 3.938 0.022 1
1 756 . 5 1 1 A 71 71 ALA C C 71 179.070 179.789 -0.719 1
1 757 . 5 1 1 A 71 71 ALA CA C 71 54.510 54.922 -0.412 1
1 758 . 5 1 1 A 71 71 ALA CB C 71 19.240 18.196 1.044 1
1 759 . 5 1 1 A 71 71 ALA N N 71 121.760 121.149 0.611 1
1 760 . 5 1 1 A 72 72 LYS H H 72 6.950 7.482 -0.532 1
1 761 . 5 1 1 A 72 72 LYS HA H 72 3.920 4.094 -0.174 1
1 770 . 5 1 1 A 72 72 LYS C C 72 176.750 179.058 -2.308 1
1 771 . 5 1 1 A 72 72 LYS CA C 72 57.690 58.834 -1.144 1
1 772 . 5 1 1 A 72 72 LYS CB C 72 31.720 32.747 -1.027 1
1 776 . 5 1 1 A 72 72 LYS N N 72 114.500 117.618 -3.118 1
1 777 . 5 1 1 A 73 73 HIS H H 73 7.140 8.334 -1.194 1
1 778 . 5 1 1 A 73 73 HIS HA H 73 4.830 4.204 0.626 1
1 781 . 5 1 1 A 73 73 HIS C C 73 173.590 175.967 -2.377 1
1 782 . 5 1 1 A 73 73 HIS CA C 73 54.070 59.954 -5.884 1
1 783 . 5 1 1 A 73 73 HIS CB C 73 29.640 29.856 -0.216 1
1 784 . 5 1 1 A 73 73 HIS N N 73 113.180 119.426 -6.246 1
1 785 . 5 1 1 A 74 74 CYS H H 74 7.020 8.063 -1.043 1
1 786 . 5 1 1 A 74 74 CYS HA H 74 4.140 4.180 -0.040 1
1 789 . 5 1 1 A 74 74 CYS C C 74 176.120 175.354 0.766 1
1 790 . 5 1 1 A 74 74 CYS CA C 74 59.829 58.592 1.237 1
1 791 . 5 1 1 A 74 74 CYS CB C 74 29.473 27.520 1.953 1
1 792 . 5 1 1 A 74 74 CYS N N 74 123.590 117.519 6.071 1
1 793 . 5 1 1 A 75 75 GLN H H 75 9.070 8.921 0.149 1
1 794 . 5 1 1 A 75 75 GLN HA H 75 4.705 4.439 0.266 1
1 798 . 5 1 1 A 75 75 GLN C C 75 175.620 175.057 0.563 1
1 799 . 5 1 1 A 75 75 GLN CA C 75 54.290 56.173 -1.883 1
1 800 . 5 1 1 A 75 75 GLN CB C 75 28.760 29.029 -0.269 1
1 802 . 5 1 1 A 75 75 GLN N N 75 128.650 127.982 0.668 1
1 803 . 5 1 1 A 76 76 GLU H H 76 8.260 7.485 0.775 1
1 804 . 5 1 1 A 76 76 GLU HA H 76 4.410 4.840 -0.430 1
1 809 . 5 1 1 A 76 76 GLU C C 76 176.700 175.021 1.679 1
1 810 . 5 1 1 A 76 76 GLU CA C 76 55.510 54.451 1.059 1
1 811 . 5 1 1 A 76 76 GLU CB C 76 29.860 33.286 -3.426 1
1 813 . 5 1 1 A 76 76 GLU N N 76 123.000 119.831 3.169 1
1 814 . 5 1 1 A 77 77 ASN H H 77 8.830 9.027 -0.197 1
1 815 . 5 1 1 A 77 77 ASN HA H 77 4.530 4.750 -0.220 1
1 818 . 5 1 1 A 77 77 ASN C C 77 175.700 175.110 0.590 1
1 819 . 5 1 1 A 77 77 ASN CA C 77 55.030 52.192 2.838 1
1 820 . 5 1 1 A 77 77 ASN CB C 77 38.030 36.899 1.131 1
1 821 . 5 1 1 A 77 77 ASN N N 77 125.100 123.500 1.600 1
1 822 . 5 1 1 A 78 78 LYS H H 78 8.660 8.434 0.226 1
1 823 . 5 1 1 A 78 78 LYS HA H 78 4.440 3.953 0.487 1
1 832 . 5 1 1 A 78 78 LYS C C 78 174.930 176.165 -1.235 1
1 833 . 5 1 1 A 78 78 LYS CA C 78 54.120 59.114 -4.994 1
1 834 . 5 1 1 A 78 78 LYS CB C 78 30.120 32.396 -2.276 1
1 838 . 5 1 1 A 78 78 LYS N N 78 120.580 125.299 -4.719 1
1 839 . 5 1 1 A 79 79 CYS H H 79 7.320 7.675 -0.355 1
1 840 . 5 1 1 A 79 79 CYS HA H 79 4.160 4.493 -0.333 1
1 843 . 5 1 1 A 79 79 CYS C C 79 176.230 174.897 1.333 1
1 844 . 5 1 1 A 79 79 CYS CA C 79 60.480 60.151 0.329 1
1 845 . 5 1 1 A 79 79 CYS CB C 79 28.440 28.055 0.385 1
1 846 . 5 1 1 A 79 79 CYS N N 79 124.350 114.689 9.661 1
1 847 . 5 1 1 A 80 80 PRO HA H 80 4.730 4.321 0.409 1
1 854 . 5 1 1 A 80 80 PRO CA C 80 62.580 65.122 -2.542 1
1 855 . 5 1 1 A 80 80 PRO CB C 80 31.540 31.339 0.201 1
1 858 . 5 1 1 A 81 81 VAL H H 81 9.030 7.799 1.231 1
1 859 . 5 1 1 A 81 81 VAL HA H 81 3.570 4.089 -0.519 1
1 867 . 5 1 1 A 81 81 VAL CA C 81 62.220 60.981 1.239 1
1 868 . 5 1 1 A 81 81 VAL CB C 81 30.990 31.895 -0.905 1
1 871 . 5 1 1 A 81 81 VAL N N 81 127.570 118.704 8.866 1
1 872 . 5 1 1 A 82 82 PRO HA H 82 4.860 4.187 0.673 1
1 879 . 5 1 1 A 82 82 PRO CA C 82 62.860 65.594 -2.734 1
1 880 . 5 1 1 A 82 82 PRO CB C 82 31.550 31.276 0.274 1
1 883 . 5 1 1 A 83 83 PHE H H 83 6.940 6.653 0.287 1
1 884 . 5 1 1 A 83 83 PHE HA H 83 4.460 4.261 0.199 1
1 887 . 5 1 1 A 83 83 PHE C C 83 177.240 178.270 -1.030 1
1 888 . 5 1 1 A 83 83 PHE CA C 83 59.880 60.830 -0.950 1
1 889 . 5 1 1 A 83 83 PHE CB C 83 37.550 38.396 -0.846 1
1 890 . 5 1 1 A 83 83 PHE N N 83 123.530 117.183 6.347 1
1 891 . 5 1 1 A 84 84 CYS H H 84 7.020 8.307 -1.287 1
1 892 . 5 1 1 A 84 84 CYS HA H 84 4.100 4.276 -0.176 1
1 895 . 5 1 1 A 84 84 CYS CA C 84 66.560 62.337 4.223 1
1 896 . 5 1 1 A 84 84 CYS CB C 84 29.770 27.161 2.609 1
1 897 . 5 1 1 A 84 84 CYS N N 84 111.010 118.297 -7.287 1
1 898 . 5 1 1 A 85 85 LEU H H 85 8.190 7.818 0.372 1
1 899 . 5 1 1 A 85 85 LEU HA H 85 4.130 3.889 0.241 1
1 908 . 5 1 1 A 85 85 LEU C C 85 178.700 179.429 -0.729 1
1 909 . 5 1 1 A 85 85 LEU CA C 85 57.450 57.987 -0.537 1
1 910 . 5 1 1 A 85 85 LEU CB C 85 41.720 41.089 0.631 1
1 914 . 5 1 1 A 85 85 LEU N N 85 120.080 121.105 -1.025 1
1 915 . 5 1 1 A 86 86 ASN H H 86 7.740 7.991 -0.251 1
1 916 . 5 1 1 A 86 86 ASN HA H 86 4.530 4.588 -0.058 1
1 919 . 5 1 1 A 86 86 ASN C C 86 177.040 176.768 0.272 1
1 920 . 5 1 1 A 86 86 ASN CA C 86 55.510 56.522 -1.012 1
1 921 . 5 1 1 A 86 86 ASN CB C 86 38.650 38.074 0.576 1
1 922 . 5 1 1 A 86 86 ASN N N 86 115.410 118.501 -3.091 1
1 923 . 5 1 1 A 87 87 ILE H H 87 8.190 7.713 0.477 1
1 924 . 5 1 1 A 87 87 ILE HA H 87 3.960 3.978 -0.018 1
1 934 . 5 1 1 A 87 87 ILE C C 87 177.980 178.255 -0.275 1
1 935 . 5 1 1 A 87 87 ILE CA C 87 63.050 63.599 -0.549 1
1 936 . 5 1 1 A 87 87 ILE CB C 87 36.950 38.172 -1.222 1
1 940 . 5 1 1 A 87 87 ILE N N 87 120.100 119.149 0.951 1
1 941 . 5 1 1 A 88 88 LYS H H 88 8.300 9.116 -0.816 1
1 942 . 5 1 1 A 88 88 LYS HA H 88 4.160 3.974 0.186 1
1 949 . 5 1 1 A 88 88 LYS C C 88 179.730 179.110 0.620 1
1 950 . 5 1 1 A 88 88 LYS CA C 88 59.030 59.771 -0.741 1
1 951 . 5 1 1 A 88 88 LYS CB C 88 27.530 32.140 -4.610 1
1 953 . 5 1 1 A 88 88 LYS N N 88 118.760 119.831 -1.071 1
1 954 . 5 1 1 A 89 89 GLN H H 89 8.730 7.862 0.868 1
1 955 . 5 1 1 A 89 89 GLN HA H 89 4.440 4.104 0.336 1
1 958 . 5 1 1 A 89 89 GLN CA C 89 56.350 58.705 -2.355 1
1 959 . 5 1 1 A 89 89 GLN CB C 89 27.750 28.098 -0.348 1
1 961 . 5 1 1 A 89 89 GLN N N 89 122.660 119.837 2.823 1
1 978 . 5 2 2 B 2 2 GLU C C 2 176.270 176.248 0.022 1
1 979 . 5 2 2 B 2 2 GLU CA C 2 56.070 59.054 -2.984 1
1 980 . 5 2 2 B 2 2 GLU CB C 2 29.100 30.162 -1.062 1
1 981 . 5 2 2 B 3 3 GLU HA H 3 4.650 4.413 0.237 1
1 986 . 5 2 2 B 3 3 GLU C C 3 176.270 177.198 -0.928 1
1 987 . 5 2 2 B 3 3 GLU CA C 3 53.970 57.430 -3.460 1
1 988 . 5 2 2 B 3 3 GLU CB C 3 29.200 32.283 -3.083 1
1 990 . 5 2 2 B 4 4 PRO HA H 4 4.510 4.297 0.213 1
1 997 . 5 2 2 B 4 4 PRO C C 4 181.100 177.165 3.935 1
1 998 . 5 2 2 B 4 4 PRO CA C 4 62.900 64.395 -1.495 1
1 999 . 5 2 2 B 4 4 PRO CB C 4 31.402 31.967 -0.565 1
1 1002 . 5 2 2 B 5 5 GLN H H 5 8.530 7.913 0.617 1
1 1003 . 5 2 2 B 5 5 GLN HA H 5 4.430 4.243 0.187 1
1 1007 . 5 2 2 B 5 5 GLN C C 5 176.100 174.640 1.460 1
1 1008 . 5 2 2 B 5 5 GLN CA C 5 53.450 56.730 -3.280 1
1 1009 . 5 2 2 B 5 5 GLN CB C 5 28.990 27.507 1.483 1
1 1011 . 5 2 2 B 5 5 GLN N N 5 120.510 116.440 4.070 1
1 1012 . 5 2 2 B 6 6 SER H H 6 8.330 8.089 0.241 1
1 1013 . 5 2 2 B 6 6 SER HA H 6 4.500 4.291 0.209 1
1 1015 . 5 2 2 B 6 6 SER C C 6 173.920 174.983 -1.063 1
1 1016 . 5 2 2 B 6 6 SER CA C 6 57.860 58.975 -1.115 1
1 1017 . 5 2 2 B 6 6 SER CB C 6 63.230 63.578 -0.348 1
1 1018 . 5 2 2 B 6 6 SER N N 6 117.080 119.570 -2.490 1
1 1019 . 5 2 2 B 7 7 ASP H H 7 8.380 9.098 -0.718 1
1 1020 . 5 2 2 B 7 7 ASP HA H 7 4.960 4.548 0.412 1
1 1023 . 5 2 2 B 7 7 ASP C C 7 174.780 176.500 -1.720 1
1 1024 . 5 2 2 B 7 7 ASP CA C 7 51.960 57.095 -5.135 1
1 1025 . 5 2 2 B 7 7 ASP CB C 7 40.850 41.279 -0.429 1
1 1026 . 5 2 2 B 7 7 ASP N N 7 123.030 128.781 -5.751 1
1 1027 . 5 2 2 B 8 8 PRO HA H 8 4.450 4.320 0.130 1
1 1034 . 5 2 2 B 8 8 PRO C C 8 177.080 178.326 -1.246 1
1 1035 . 5 2 2 B 8 8 PRO CA C 8 63.520 65.754 -2.234 1
1 1036 . 5 2 2 B 8 8 PRO CB C 8 31.612 30.718 0.894 1
1 1039 . 5 2 2 B 9 9 SER H H 9 8.520 8.081 0.439 1
1 1040 . 5 2 2 B 9 9 SER HA H 9 4.450 4.450 0.000 1
1 1042 . 5 2 2 B 9 9 SER C C 9 174.420 174.447 -0.027 1
1 1043 . 5 2 2 B 9 9 SER CA C 9 58.590 58.596 -0.006 1
1 1044 . 5 2 2 B 9 9 SER CB C 9 63.330 64.326 -0.996 1
1 1045 . 5 2 2 B 9 9 SER N N 9 116.010 110.061 5.949 1
1 1046 . 5 2 2 B 10 10 VAL H H 10 7.771 7.561 0.210 1
1 1047 . 5 2 2 B 10 10 VAL HA H 10 4.200 4.115 0.085 1
1 1055 . 5 2 2 B 10 10 VAL C C 10 174.430 174.524 -0.094 1
1 1056 . 5 2 2 B 10 10 VAL CA C 10 61.330 61.833 -0.503 1
1 1057 . 5 2 2 B 10 10 VAL CB C 10 32.340 30.793 1.547 1
1 1060 . 5 2 2 B 10 10 VAL N N 10 121.350 123.289 -1.939 1
1 1061 . 5 2 2 B 11 11 GLU H H 11 8.000 8.618 -0.618 1
1 1062 . 5 2 2 B 11 11 GLU HA H 11 4.660 4.935 -0.275 1
1 1067 . 5 2 2 B 11 11 GLU C C 11 173.740 174.660 -0.920 1
1 1068 . 5 2 2 B 11 11 GLU CA C 11 53.130 53.139 -0.009 1
1 1069 . 5 2 2 B 11 11 GLU CB C 11 29.826 30.794 -0.968 1
1 1071 . 5 2 2 B 11 11 GLU N N 11 125.070 126.930 -1.860 1
1 1072 . 5 2 2 B 12 12 PRO HA H 12 4.520 4.444 0.076 1
1 1079 . 5 2 2 B 12 12 PRO CA C 12 63.570 63.226 0.344 1
1 1080 . 5 2 2 B 12 12 PRO CB C 12 31.350 31.662 -0.312 1
1 1083 . 5 2 2 B 13 13 PRO HA H 13 4.510 4.492 0.018 1
1 1090 . 5 2 2 B 13 13 PRO C C 13 175.980 177.277 -1.297 1
1 1091 . 5 2 2 B 13 13 PRO CB C 13 31.720 32.303 -0.583 1
1 1094 . 5 2 2 B 14 14 LEU H H 14 7.900 8.918 -1.018 1
1 1095 . 5 2 2 B 14 14 LEU HA H 14 4.480 4.487 -0.007 1
1 1101 . 5 2 2 B 14 14 LEU C C 14 177.260 177.078 0.182 1
1 1102 . 5 2 2 B 14 14 LEU CA C 14 52.290 54.542 -2.252 1
1 1103 . 5 2 2 B 14 14 LEU CB C 14 41.270 42.263 -0.993 1
1 1106 . 5 2 2 B 14 14 LEU N N 14 120.860 122.301 -1.441 1
1 1107 . 5 2 2 B 15 15 SER H H 15 8.620 8.244 0.376 1
1 1108 . 5 2 2 B 15 15 SER HA H 15 4.510 4.502 0.008 1
1 1111 . 5 2 2 B 15 15 SER C C 15 175.040 174.479 0.561 1
1 1112 . 5 2 2 B 15 15 SER CA C 15 57.330 59.898 -2.568 1
1 1113 . 5 2 2 B 15 15 SER CB C 15 63.960 62.865 1.095 1
1 1114 . 5 2 2 B 15 15 SER N N 15 117.360 113.702 3.658 1
1 1115 . 5 2 2 B 16 16 GLN H H 16 8.700 8.050 0.650 1
1 1116 . 5 2 2 B 16 16 GLN HA H 16 4.400 4.908 -0.508 1
1 1120 . 5 2 2 B 16 16 GLN C C 16 176.280 176.521 -0.241 1
1 1121 . 5 2 2 B 16 16 GLN CA C 16 56.170 55.230 0.940 1
1 1122 . 5 2 2 B 16 16 GLN CB C 16 29.310 29.494 -0.184 1
1 1124 . 5 2 2 B 16 16 GLN N N 16 122.480 118.456 4.024 1
1 1125 . 5 2 2 B 18 18 THR H H 18 7.860 8.051 -0.191 1
1 1126 . 5 2 2 B 18 18 THR HA H 18 4.080 3.970 0.110 1
1 1131 . 5 2 2 B 18 18 THR C C 18 175.900 176.390 -0.490 1
1 1132 . 5 2 2 B 18 18 THR CA C 18 66.280 66.579 -0.299 1
1 1133 . 5 2 2 B 18 18 THR CB C 18 67.550 68.752 -1.202 1
1 1135 . 5 2 2 B 18 18 THR N N 18 116.790 115.452 1.338 1
1 1136 . 5 2 2 B 19 19 PHE H H 19 8.640 8.540 0.100 1
1 1137 . 5 2 2 B 19 19 PHE HA H 19 4.340 4.387 -0.047 1
1 1140 . 5 2 2 B 19 19 PHE C C 19 176.340 178.455 -2.115 1
1 1141 . 5 2 2 B 19 19 PHE CA C 19 59.680 61.441 -1.761 1
1 1142 . 5 2 2 B 19 19 PHE CB C 19 38.070 39.179 -1.109 1
1 1143 . 5 2 2 B 19 19 PHE N N 19 120.710 120.761 -0.051 1
1 1144 . 5 2 2 B 20 20 SER H H 20 8.260 9.045 -0.785 1
1 1145 . 5 2 2 B 20 20 SER C C 20 176.100 176.908 -0.808 1
1 1146 . 5 2 2 B 20 20 SER CA C 20 61.280 61.523 -0.243 1
1 1147 . 5 2 2 B 20 20 SER CB C 20 61.980 62.719 -0.739 1
1 1148 . 5 2 2 B 20 20 SER N N 20 114.000 114.178 -0.178 1
1 1149 . 5 2 2 B 21 21 ASP H H 21 7.660 7.998 -0.338 1
1 1150 . 5 2 2 B 21 21 ASP HA H 21 4.520 4.306 0.214 1
1 1153 . 5 2 2 B 21 21 ASP C C 21 177.890 178.780 -0.890 1
1 1154 . 5 2 2 B 21 21 ASP CA C 21 56.070 57.231 -1.161 1
1 1155 . 5 2 2 B 21 21 ASP CB C 21 40.020 40.393 -0.373 1
1 1156 . 5 2 2 B 21 21 ASP N N 21 120.570 120.971 -0.401 1
1 1157 . 5 2 2 B 22 22 LEU H H 22 7.990 8.036 -0.046 1
1 1158 . 5 2 2 B 22 22 LEU HA H 22 3.940 3.993 -0.053 1
1 1165 . 5 2 2 B 22 22 LEU C C 22 178.390 179.078 -0.688 1
1 1166 . 5 2 2 B 22 22 LEU CA C 22 57.440 58.274 -0.834 1
1 1167 . 5 2 2 B 22 22 LEU CB C 22 41.270 41.826 -0.556 1
1 1170 . 5 2 2 B 22 22 LEU N N 22 120.860 119.592 1.268 1
1 1171 . 5 2 2 B 23 23 TRP H H 23 8.920 7.965 0.955 1
1 1172 . 5 2 2 B 23 23 TRP HA H 23 4.200 4.641 -0.441 1
1 1175 . 5 2 2 B 23 23 TRP C C 23 178.090 177.147 0.943 1
1 1176 . 5 2 2 B 23 23 TRP CA C 23 59.310 58.483 0.827 1
1 1177 . 5 2 2 B 23 23 TRP CB C 23 28.550 29.157 -0.607 1
1 1178 . 5 2 2 B 23 23 TRP N N 23 119.580 116.595 2.985 1
1 1179 . 5 2 2 B 24 24 LYS H H 24 7.380 6.829 0.551 1
1 1180 . 5 2 2 B 24 24 LYS HA H 24 4.090 3.736 0.354 1
1 1189 . 5 2 2 B 24 24 LYS C C 24 177.360 177.559 -0.199 1
1 1190 . 5 2 2 B 24 24 LYS CA C 24 57.750 56.853 0.897 1
1 1191 . 5 2 2 B 24 24 LYS CB C 24 31.980 32.170 -0.190 1
1 1195 . 5 2 2 B 24 24 LYS N N 24 116.010 118.535 -2.525 1
1 1196 . 5 2 2 B 25 25 LEU H H 25 7.700 7.523 0.177 1
1 1197 . 5 2 2 B 25 25 LEU HA H 25 4.330 4.442 -0.112 1
1 1207 . 5 2 2 B 25 25 LEU C C 25 177.290 176.222 1.068 1
1 1208 . 5 2 2 B 25 25 LEU CA C 25 54.920 53.951 0.969 1
1 1209 . 5 2 2 B 25 25 LEU CB C 25 42.220 41.157 1.063 1
1 1213 . 5 2 2 B 25 25 LEU N N 25 118.160 116.953 1.207 1
1 1214 . 5 2 2 B 26 26 LEU H H 26 7.350 7.200 0.150 1
1 1215 . 5 2 2 B 26 26 LEU HA H 26 4.540 4.523 0.017 1
1 1225 . 5 2 2 B 26 26 LEU C C 26 175.090 176.930 -1.840 1
1 1226 . 5 2 2 B 26 26 LEU CA C 26 53.130 53.139 -0.009 1
1 1227 . 5 2 2 B 26 26 LEU CB C 26 40.650 42.151 -1.501 1
1 1231 . 5 2 2 B 26 26 LEU N N 26 120.260 119.158 1.102 1
1 1232 . 5 2 2 B 27 27 PRO HA H 27 4.550 4.436 0.114 1
1 1239 . 5 2 2 B 27 27 PRO C C 27 177.410 176.400 1.010 1
1 1240 . 5 2 2 B 27 27 PRO CA C 27 62.420 64.683 -2.263 1
1 1241 . 5 2 2 B 27 27 PRO CB C 27 31.080 31.976 -0.896 1
1 1244 . 5 2 2 B 28 28 GLU H H 28 8.670 7.698 0.972 1
1 1245 . 5 2 2 B 28 28 GLU HA H 28 4.210 4.503 -0.293 1
1 1250 . 5 2 2 B 28 28 GLU C C 28 176.540 175.000 1.540 1
1 1251 . 5 2 2 B 28 28 GLU CA C 28 57.020 56.119 0.901 1
1 1252 . 5 2 2 B 28 28 GLU CB C 28 28.980 32.744 -3.764 1
1 1254 . 5 2 2 B 28 28 GLU N N 28 119.490 116.064 3.426 1
1 1255 . 5 2 2 B 29 29 ASN H H 29 8.220 8.817 -0.597 1
1 1256 . 5 2 2 B 29 29 ASN HA H 29 4.720 4.625 0.095 1
1 1259 . 5 2 2 B 29 29 ASN C C 29 174.980 175.057 -0.077 1
1 1260 . 5 2 2 B 29 29 ASN CA C 29 53.130 53.814 -0.684 1
1 1261 . 5 2 2 B 29 29 ASN CB C 29 38.350 38.479 -0.129 1
1 1262 . 5 2 2 B 29 29 ASN N N 29 118.090 125.281 -7.191 1
1 1263 . 5 2 2 B 30 30 ASN H H 30 8.260 8.205 0.055 1
1 1264 . 5 2 2 B 30 30 ASN HA H 30 4.740 4.634 0.106 1
1 1267 . 5 2 2 B 30 30 ASN C C 30 175.120 175.145 -0.025 1
1 1268 . 5 2 2 B 30 30 ASN CA C 30 53.230 54.377 -1.147 1
1 1269 . 5 2 2 B 30 30 ASN CB C 30 38.550 39.038 -0.488 1
1 1270 . 5 2 2 B 30 30 ASN N N 30 118.720 123.968 -5.248 1
1 1271 . 5 2 2 B 31 31 VAL H H 31 8.010 8.831 -0.821 1
1 1272 . 5 2 2 B 31 31 VAL HA H 31 4.150 4.421 -0.271 1
1 1277 . 5 2 2 B 31 31 VAL C C 31 175.990 175.645 0.345 1
1 1278 . 5 2 2 B 31 31 VAL CA C 31 62.270 61.839 0.431 1
1 1279 . 5 2 2 B 31 31 VAL CB C 31 31.820 33.380 -1.560 1
1 1281 . 5 2 2 B 31 31 VAL N N 31 118.920 122.190 -3.270 1
1 1282 . 5 2 2 B 32 32 LEU H H 32 8.190 8.451 -0.261 1
1 1283 . 5 2 2 B 32 32 LEU HA H 32 4.420 4.464 -0.044 1
1 1292 . 5 2 2 B 32 32 LEU C C 32 176.960 176.440 0.520 1
1 1293 . 5 2 2 B 32 32 LEU CA C 32 54.490 54.635 -0.145 1
1 1294 . 5 2 2 B 32 32 LEU CB C 32 41.800 42.112 -0.312 1
1 1298 . 5 2 2 B 32 32 LEU N N 32 123.760 126.985 -3.225 1
1 1299 . 5 2 2 B 33 33 SER H H 33 7.920 7.435 0.485 1
1 1300 . 5 2 2 B 33 33 SER HA H 33 4.790 4.318 0.472 1
1 1303 . 5 2 2 B 33 33 SER C C 33 172.710 173.499 -0.789 1
1 1304 . 5 2 2 B 33 33 SER CA C 33 55.970 56.958 -0.988 1
1 1305 . 5 2 2 B 33 33 SER CB C 33 63.020 63.404 -0.384 1
1 1306 . 5 2 2 B 33 33 SER N N 33 117.150 117.273 -0.123 1
1 1307 . 5 2 2 B 34 34 PRO HA H 34 4.510 4.619 -0.109 1
1 1314 . 5 2 2 B 34 34 PRO C C 34 176.750 176.027 0.723 1
1 1315 . 5 2 2 B 34 34 PRO CA C 34 62.690 62.963 -0.273 1
1 1316 . 5 2 2 B 34 34 PRO CB C 34 31.420 32.282 -0.862 1
1 1319 . 5 2 2 B 35 35 LEU H H 35 8.200 8.473 -0.273 1
1 1320 . 5 2 2 B 35 35 LEU HA H 35 4.620 4.827 -0.207 1
1 1326 . 5 2 2 B 35 35 LEU C C 35 175.560 175.222 0.338 1
1 1327 . 5 2 2 B 35 35 LEU CA C 35 52.710 52.533 0.177 1
1 1328 . 5 2 2 B 35 35 LEU CB C 35 41.280 41.964 -0.684 1
1 1331 . 5 2 2 B 35 35 LEU N N 35 123.000 123.063 -0.063 1
1 1332 . 5 2 2 B 36 36 PRO HA H 36 4.850 4.595 0.255 1
1 1339 . 5 2 2 B 36 36 PRO C C 36 176.970 177.682 -0.712 1
1 1340 . 5 2 2 B 36 36 PRO CA C 36 62.690 62.753 -0.063 1
1 1341 . 5 2 2 B 36 36 PRO CB C 36 31.420 32.451 -1.031 1
1 1344 . 5 2 2 B 37 37 SER H H 37 8.280 8.682 -0.402 1
1 1345 . 5 2 2 B 37 37 SER HA H 37 4.520 4.097 0.423 1
1 1347 . 5 2 2 B 37 37 SER C C 37 174.580 174.640 -0.060 1
1 1348 . 5 2 2 B 37 37 SER CA C 37 55.870 61.697 -5.827 1
1 1349 . 5 2 2 B 37 37 SER CB C 37 63.360 63.113 0.247 1
1 1350 . 5 2 2 B 37 37 SER N N 37 115.170 118.515 -3.345 1
1 1351 . 5 2 2 B 38 38 GLN H H 38 8.310 7.977 0.333 1
1 1352 . 5 2 2 B 38 38 GLN HA H 38 4.410 4.755 -0.345 1
1 1356 . 5 2 2 B 38 38 GLN C C 38 174.650 175.019 -0.369 1
1 1357 . 5 2 2 B 38 38 GLN CA C 38 55.550 54.479 1.071 1
1 1358 . 5 2 2 B 38 38 GLN CB C 38 29.190 31.207 -2.017 1
1 1360 . 5 2 2 B 38 38 GLN N N 38 122.270 120.572 1.698 1
1 1 . 6 1 1 A 2 2 THR C C 2 174.280 175.009 -0.729 1
1 2 . 6 1 1 A 2 2 THR CA C 2 61.820 65.720 -3.900 1
1 3 . 6 1 1 A 2 2 THR CB C 2 69.660 68.392 1.268 1
1 4 . 6 1 1 A 3 3 GLN H H 3 8.502 7.687 0.815 1
1 5 . 6 1 1 A 3 3 GLN HA H 3 4.485 4.103 0.382 1
1 9 . 6 1 1 A 3 3 GLN C C 3 175.680 175.803 -0.123 1
1 10 . 6 1 1 A 3 3 GLN CA C 3 55.490 57.258 -1.768 1
1 11 . 6 1 1 A 3 3 GLN CB C 3 28.570 29.100 -0.530 1
1 13 . 6 1 1 A 3 3 GLN N N 3 123.346 123.430 -0.084 1
1 14 . 6 1 1 A 4 4 SER H H 4 8.586 8.662 -0.076 1
1 15 . 6 1 1 A 4 4 SER HA H 4 4.860 4.695 0.165 1
1 18 . 6 1 1 A 4 4 SER C C 4 173.240 173.995 -0.755 1
1 19 . 6 1 1 A 4 4 SER CA C 4 56.280 56.209 0.071 1
1 20 . 6 1 1 A 4 4 SER CB C 4 63.080 65.215 -2.135 1
1 21 . 6 1 1 A 4 4 SER N N 4 119.430 117.746 1.684 1
1 22 . 6 1 1 A 5 5 PRO HA H 5 4.490 4.217 0.273 1
1 29 . 6 1 1 A 5 5 PRO C C 5 178.020 178.402 -0.382 1
1 30 . 6 1 1 A 5 5 PRO CA C 5 63.740 65.343 -1.603 1
1 31 . 6 1 1 A 5 5 PRO CB C 5 30.120 31.702 -1.582 1
1 34 . 6 1 1 A 6 6 GLY H H 6 8.420 8.428 -0.008 1
1 35 . 6 1 1 A 6 6 GLY HA3 H 6 3.980 3.878 0.102 1
1 36 . 6 1 1 A 6 6 GLY C C 6 174.600 175.230 -0.630 1
1 37 . 6 1 1 A 6 6 GLY CA C 6 45.580 46.722 -1.142 1
1 38 . 6 1 1 A 6 6 GLY N N 6 108.250 105.374 2.876 1
1 39 . 6 1 1 A 7 7 ASP H H 7 8.080 8.363 -0.283 1
1 40 . 6 1 1 A 7 7 ASP HA H 7 4.660 4.478 0.182 1
1 42 . 6 1 1 A 7 7 ASP C C 7 177.440 178.308 -0.868 1
1 43 . 6 1 1 A 7 7 ASP CA C 7 54.960 56.343 -1.383 1
1 44 . 6 1 1 A 7 7 ASP CB C 7 40.740 40.670 0.070 1
1 45 . 6 1 1 A 7 7 ASP N N 7 121.210 121.973 -0.763 1
1 46 . 6 1 1 A 8 8 SER H H 8 8.363 7.964 0.399 1
1 47 . 6 1 1 A 8 8 SER HA H 8 4.330 4.203 0.127 1
1 49 . 6 1 1 A 8 8 SER C C 8 177.520 177.163 0.357 1
1 50 . 6 1 1 A 8 8 SER CA C 8 59.990 61.170 -1.180 1
1 51 . 6 1 1 A 8 8 SER CB C 8 62.540 63.117 -0.577 1
1 52 . 6 1 1 A 8 8 SER N N 8 117.020 115.113 1.907 1
1 53 . 6 1 1 A 9 9 ARG H H 9 8.270 8.224 0.046 1
1 54 . 6 1 1 A 9 9 ARG HA H 9 4.820 4.143 0.677 1
1 59 . 6 1 1 A 9 9 ARG C C 9 177.800 178.791 -0.991 1
1 60 . 6 1 1 A 9 9 ARG CA C 9 58.170 58.882 -0.712 1
1 61 . 6 1 1 A 9 9 ARG CB C 9 29.490 29.639 -0.149 1
1 64 . 6 1 1 A 9 9 ARG N N 9 123.050 121.804 1.246 1
1 65 . 6 1 1 A 10 10 ARG H H 10 8.030 7.428 0.602 1
1 66 . 6 1 1 A 10 10 ARG HA H 10 4.100 4.032 0.068 1
1 73 . 6 1 1 A 10 10 ARG C C 10 177.900 178.661 -0.761 1
1 74 . 6 1 1 A 10 10 ARG CA C 10 57.100 58.925 -1.825 1
1 75 . 6 1 1 A 10 10 ARG CB C 10 29.490 29.825 -0.335 1
1 78 . 6 1 1 A 10 10 ARG N N 10 119.730 118.998 0.732 1
1 79 . 6 1 1 A 11 11 LEU H H 11 8.100 8.310 -0.210 1
1 80 . 6 1 1 A 11 11 LEU HA H 11 4.220 4.097 0.123 1
1 87 . 6 1 1 A 11 11 LEU C C 11 178.600 179.146 -0.546 1
1 88 . 6 1 1 A 11 11 LEU CA C 11 57.100 56.744 0.356 1
1 89 . 6 1 1 A 11 11 LEU CB C 11 41.270 41.853 -0.583 1
1 92 . 6 1 1 A 11 11 LEU N N 11 120.770 120.396 0.374 1
1 93 . 6 1 1 A 12 12 SER H H 12 8.052 8.288 -0.236 1
1 94 . 6 1 1 A 12 12 SER HA H 12 4.250 4.156 0.094 1
1 97 . 6 1 1 A 12 12 SER C C 12 178.790 176.529 2.261 1
1 98 . 6 1 1 A 12 12 SER CA C 12 60.960 61.446 -0.486 1
1 99 . 6 1 1 A 12 12 SER CB C 12 62.580 62.891 -0.311 1
1 100 . 6 1 1 A 12 12 SER N N 12 115.760 114.336 1.424 1
1 101 . 6 1 1 A 13 13 ILE H H 13 8.000 7.694 0.306 1
1 102 . 6 1 1 A 13 13 ILE HA H 13 3.730 3.816 -0.086 1
1 112 . 6 1 1 A 13 13 ILE C C 13 179.740 177.960 1.780 1
1 113 . 6 1 1 A 13 13 ILE CA C 13 64.920 64.406 0.514 1
1 114 . 6 1 1 A 13 13 ILE CB C 13 37.200 37.234 -0.034 1
1 118 . 6 1 1 A 13 13 ILE N N 13 123.290 118.796 4.494 1
1 119 . 6 1 1 A 14 14 GLN H H 14 8.110 8.050 0.060 1
1 120 . 6 1 1 A 14 14 GLN HA H 14 4.030 3.926 0.104 1
1 124 . 6 1 1 A 14 14 GLN C C 14 178.850 178.594 0.256 1
1 125 . 6 1 1 A 14 14 GLN CA C 14 59.170 59.205 -0.035 1
1 126 . 6 1 1 A 14 14 GLN CB C 14 27.810 28.150 -0.340 1
1 128 . 6 1 1 A 14 14 GLN N N 14 119.020 121.059 -2.039 1
1 129 . 6 1 1 A 15 15 ARG H H 15 8.360 7.806 0.554 1
1 130 . 6 1 1 A 15 15 ARG HA H 15 3.980 3.997 -0.017 1
1 137 . 6 1 1 A 15 15 ARG C C 15 177.020 178.801 -1.781 1
1 138 . 6 1 1 A 15 15 ARG CA C 15 59.030 59.009 0.021 1
1 139 . 6 1 1 A 15 15 ARG CB C 15 29.460 30.065 -0.605 1
1 142 . 6 1 1 A 15 15 ARG N N 15 118.820 119.408 -0.588 1
1 143 . 6 1 1 A 16 16 ALA H H 16 8.000 7.668 0.332 1
1 144 . 6 1 1 A 16 16 ALA HA H 16 4.230 4.061 0.169 1
1 148 . 6 1 1 A 16 16 ALA C C 16 179.750 180.011 -0.261 1
1 149 . 6 1 1 A 16 16 ALA CA C 16 55.190 54.986 0.204 1
1 150 . 6 1 1 A 16 16 ALA CB C 16 18.020 18.058 -0.038 1
1 151 . 6 1 1 A 16 16 ALA N N 16 123.800 121.726 2.074 1
1 152 . 6 1 1 A 17 17 ILE H H 17 8.490 9.163 -0.673 1
1 153 . 6 1 1 A 17 17 ILE HA H 17 3.760 3.601 0.159 1
1 163 . 6 1 1 A 17 17 ILE C C 17 178.300 178.091 0.209 1
1 164 . 6 1 1 A 17 17 ILE CA C 17 64.710 65.590 -0.880 1
1 165 . 6 1 1 A 17 17 ILE CB C 17 36.560 37.592 -1.032 1
1 169 . 6 1 1 A 17 17 ILE N N 17 118.260 118.895 -0.635 1
1 170 . 6 1 1 A 18 18 GLN H H 18 8.230 9.241 -1.011 1
1 171 . 6 1 1 A 18 18 GLN HA H 18 4.110 3.953 0.157 1
1 175 . 6 1 1 A 18 18 GLN C C 18 178.950 178.026 0.924 1
1 176 . 6 1 1 A 18 18 GLN CA C 18 59.030 58.922 0.108 1
1 177 . 6 1 1 A 18 18 GLN CB C 18 27.540 28.131 -0.591 1
1 179 . 6 1 1 A 18 18 GLN N N 18 118.800 118.707 0.093 1
1 180 . 6 1 1 A 19 19 SER H H 19 8.230 7.656 0.574 1
1 181 . 6 1 1 A 19 19 SER HA H 19 4.430 4.490 -0.060 1
1 184 . 6 1 1 A 19 19 SER C C 19 176.120 176.977 -0.857 1
1 185 . 6 1 1 A 19 19 SER CA C 19 61.600 61.171 0.429 1
1 186 . 6 1 1 A 19 19 SER CB C 19 62.580 62.945 -0.365 1
1 187 . 6 1 1 A 19 19 SER N N 19 116.040 115.345 0.695 1
1 188 . 6 1 1 A 20 20 LEU H H 20 8.250 9.204 -0.954 1
1 189 . 6 1 1 A 20 20 LEU HA H 20 4.090 4.063 0.027 1
1 199 . 6 1 1 A 20 20 LEU C C 20 177.180 178.416 -1.236 1
1 200 . 6 1 1 A 20 20 LEU CA C 20 58.390 58.082 0.308 1
1 201 . 6 1 1 A 20 20 LEU CB C 20 41.810 41.840 -0.030 1
1 205 . 6 1 1 A 20 20 LEU N N 20 125.460 123.317 2.143 1
1 206 . 6 1 1 A 21 21 VAL H H 21 8.520 9.195 -0.675 1
1 207 . 6 1 1 A 21 21 VAL HA H 21 3.340 3.550 -0.210 1
1 212 . 6 1 1 A 21 21 VAL C C 21 178.430 178.119 0.311 1
1 213 . 6 1 1 A 21 21 VAL CA C 21 66.510 66.447 0.063 1
1 214 . 6 1 1 A 21 21 VAL CB C 21 31.270 31.418 -0.148 1
1 217 . 6 1 1 A 21 21 VAL N N 21 118.590 118.954 -0.364 1
1 218 . 6 1 1 A 22 22 HIS H H 22 7.950 7.857 0.093 1
1 219 . 6 1 1 A 22 22 HIS HA H 22 4.260 4.218 0.042 1
1 222 . 6 1 1 A 22 22 HIS C C 22 178.020 178.278 -0.258 1
1 223 . 6 1 1 A 22 22 HIS CA C 22 59.770 59.521 0.249 1
1 224 . 6 1 1 A 22 22 HIS CB C 22 27.230 29.719 -2.489 1
1 225 . 6 1 1 A 22 22 HIS N N 22 115.760 119.313 -3.553 1
1 226 . 6 1 1 A 23 23 ALA H H 23 8.580 9.420 -0.840 1
1 227 . 6 1 1 A 23 23 ALA HA H 23 4.190 3.981 0.209 1
1 231 . 6 1 1 A 23 23 ALA C C 23 179.210 178.825 0.385 1
1 232 . 6 1 1 A 23 23 ALA CA C 23 54.420 54.541 -0.121 1
1 233 . 6 1 1 A 23 23 ALA CB C 23 19.010 18.155 0.855 1
1 234 . 6 1 1 A 23 23 ALA N N 23 121.190 121.009 0.181 1
1 235 . 6 1 1 A 24 24 ALA H H 24 8.240 8.197 0.043 1
1 236 . 6 1 1 A 24 24 ALA HA H 24 4.110 4.157 -0.047 1
1 240 . 6 1 1 A 24 24 ALA C C 24 177.610 178.240 -0.630 1
1 241 . 6 1 1 A 24 24 ALA CA C 24 53.540 52.871 0.669 1
1 242 . 6 1 1 A 24 24 ALA CB C 24 18.060 19.292 -1.232 1
1 243 . 6 1 1 A 24 24 ALA N N 24 116.530 118.795 -2.265 1
1 244 . 6 1 1 A 25 25 GLN H H 25 7.230 7.894 -0.664 1
1 245 . 6 1 1 A 25 25 GLN HA H 25 4.540 4.403 0.137 1
1 250 . 6 1 1 A 25 25 GLN C C 25 174.530 176.221 -1.691 1
1 251 . 6 1 1 A 25 25 GLN CA C 25 54.400 56.414 -2.014 1
1 252 . 6 1 1 A 25 25 GLN CB C 25 30.090 31.625 -1.535 1
1 254 . 6 1 1 A 25 25 GLN N N 25 112.050 114.521 -2.471 1
1 255 . 6 1 1 A 26 26 CYS H H 26 7.320 8.437 -1.117 1
1 256 . 6 1 1 A 26 26 CYS HA H 26 3.920 4.421 -0.501 1
1 259 . 6 1 1 A 26 26 CYS C C 26 176.230 173.923 2.307 1
1 260 . 6 1 1 A 26 26 CYS CA C 26 60.480 57.534 2.946 1
1 261 . 6 1 1 A 26 26 CYS CB C 26 28.470 26.503 1.967 1
1 262 . 6 1 1 A 26 26 CYS N N 26 124.310 119.354 4.956 1
1 263 . 6 1 1 A 27 27 ARG H H 27 8.840 8.607 0.233 1
1 264 . 6 1 1 A 27 27 ARG HA H 27 4.650 4.309 0.341 1
1 271 . 6 1 1 A 27 27 ARG C C 27 175.270 176.119 -0.849 1
1 272 . 6 1 1 A 27 27 ARG CA C 27 54.320 55.006 -0.686 1
1 273 . 6 1 1 A 27 27 ARG CB C 27 29.490 28.386 1.104 1
1 276 . 6 1 1 A 27 27 ARG N N 27 129.620 128.183 1.437 1
1 277 . 6 1 1 A 28 28 ASN H H 28 7.930 7.860 0.070 1
1 278 . 6 1 1 A 28 28 ASN HA H 28 4.890 4.432 0.458 1
1 281 . 6 1 1 A 28 28 ASN C C 28 175.240 175.125 0.115 1
1 282 . 6 1 1 A 28 28 ASN CA C 28 51.540 56.244 -4.704 1
1 283 . 6 1 1 A 28 28 ASN CB C 28 38.460 39.257 -0.797 1
1 284 . 6 1 1 A 28 28 ASN N N 28 120.580 123.591 -3.011 1
1 285 . 6 1 1 A 29 29 ALA H H 29 9.100 7.886 1.214 1
1 286 . 6 1 1 A 29 29 ALA HA H 29 4.120 3.965 0.155 1
1 290 . 6 1 1 A 29 29 ALA C C 29 178.010 177.390 0.620 1
1 291 . 6 1 1 A 29 29 ALA CA C 29 54.040 55.113 -1.073 1
1 292 . 6 1 1 A 29 29 ALA CB C 29 18.020 16.938 1.082 1
1 293 . 6 1 1 A 29 29 ALA N N 29 130.290 120.627 9.663 1
1 294 . 6 1 1 A 30 30 ASN H H 30 8.080 8.230 -0.150 1
1 295 . 6 1 1 A 30 30 ASN HA H 30 4.900 4.867 0.033 1
1 298 . 6 1 1 A 30 30 ASN C C 30 174.150 174.878 -0.728 1
1 299 . 6 1 1 A 30 30 ASN CA C 30 51.490 53.273 -1.783 1
1 300 . 6 1 1 A 30 30 ASN CB C 30 38.200 38.937 -0.737 1
1 301 . 6 1 1 A 30 30 ASN N N 30 114.290 114.751 -0.461 1
1 302 . 6 1 1 A 31 31 CYS H H 31 7.170 7.445 -0.275 1
1 303 . 6 1 1 A 31 31 CYS HA H 31 4.079 4.319 -0.240 1
1 306 . 6 1 1 A 31 31 CYS C C 31 176.800 176.487 0.313 1
1 307 . 6 1 1 A 31 31 CYS CA C 31 61.430 60.087 1.343 1
1 308 . 6 1 1 A 31 31 CYS CB C 31 29.428 28.218 1.210 1
1 309 . 6 1 1 A 31 31 CYS N N 31 123.080 120.745 2.335 1
1 310 . 6 1 1 A 32 32 SER H H 32 8.740 8.904 -0.164 1
1 311 . 6 1 1 A 32 32 SER HA H 32 4.150 4.460 -0.310 1
1 314 . 6 1 1 A 32 32 SER C C 32 174.850 174.027 0.823 1
1 315 . 6 1 1 A 32 32 SER CA C 32 57.570 59.043 -1.473 1
1 316 . 6 1 1 A 32 32 SER CB C 32 63.540 63.508 0.032 1
1 317 . 6 1 1 A 32 32 SER N N 32 124.210 122.223 1.987 1
1 318 . 6 1 1 A 33 33 LEU H H 33 8.520 7.651 0.869 1
1 319 . 6 1 1 A 33 33 LEU HA H 33 4.570 4.704 -0.134 1
1 329 . 6 1 1 A 33 33 LEU C C 33 176.850 175.732 1.118 1
1 330 . 6 1 1 A 33 33 LEU CA C 33 54.080 51.162 2.918 1
1 331 . 6 1 1 A 33 33 LEU CB C 33 40.420 41.897 -1.477 1
1 335 . 6 1 1 A 33 33 LEU N N 33 128.730 124.327 4.403 1
1 336 . 6 1 1 A 34 34 PRO HA H 34 4.360 4.362 -0.002 1
1 343 . 6 1 1 A 34 34 PRO C C 34 178.380 178.155 0.225 1
1 344 . 6 1 1 A 34 34 PRO CA C 34 64.970 64.960 0.010 1
1 345 . 6 1 1 A 34 34 PRO CB C 34 31.230 31.877 -0.647 1
1 348 . 6 1 1 A 35 35 SER H H 35 8.300 8.418 -0.118 1
1 349 . 6 1 1 A 35 35 SER HA H 35 4.320 4.235 0.085 1
1 352 . 6 1 1 A 35 35 SER C C 35 178.350 176.539 1.811 1
1 353 . 6 1 1 A 35 35 SER CA C 35 59.953 61.548 -1.595 1
1 354 . 6 1 1 A 35 35 SER CB C 35 62.470 62.925 -0.455 1
1 355 . 6 1 1 A 35 35 SER N N 35 111.680 113.221 -1.541 1
1 356 . 6 1 1 A 36 36 CYS H H 36 7.500 9.072 -1.572 1
1 357 . 6 1 1 A 36 36 CYS HA H 36 4.242 4.179 0.063 1
1 360 . 6 1 1 A 36 36 CYS C C 36 176.630 177.123 -0.493 1
1 361 . 6 1 1 A 36 36 CYS CA C 36 63.710 63.623 0.087 1
1 362 . 6 1 1 A 36 36 CYS CB C 36 29.170 27.510 1.660 1
1 363 . 6 1 1 A 36 36 CYS N N 36 125.580 120.179 5.401 1
1 364 . 6 1 1 A 37 37 GLN H H 37 8.170 7.794 0.376 1
1 365 . 6 1 1 A 37 37 GLN HA H 37 4.010 3.985 0.025 1
1 369 . 6 1 1 A 37 37 GLN C C 37 178.900 177.811 1.089 1
1 370 . 6 1 1 A 37 37 GLN CA C 37 59.580 58.693 0.887 1
1 371 . 6 1 1 A 37 37 GLN CB C 37 27.560 28.408 -0.848 1
1 373 . 6 1 1 A 37 37 GLN N N 37 116.020 120.046 -4.026 1
1 374 . 6 1 1 A 38 38 LYS H H 38 7.840 7.649 0.191 1
1 375 . 6 1 1 A 38 38 LYS HA H 38 4.079 4.150 -0.071 1
1 381 . 6 1 1 A 38 38 LYS C C 38 179.300 179.626 -0.326 1
1 382 . 6 1 1 A 38 38 LYS CA C 38 59.280 59.189 0.091 1
1 383 . 6 1 1 A 38 38 LYS CB C 38 32.120 31.980 0.140 1
1 387 . 6 1 1 A 38 38 LYS N N 38 117.000 119.798 -2.798 1
1 388 . 6 1 1 A 39 39 MET H H 39 8.270 8.310 -0.040 1
1 389 . 6 1 1 A 39 39 MET HA H 39 4.580 4.221 0.359 1
1 394 . 6 1 1 A 39 39 MET C C 39 179.710 178.870 0.840 1
1 395 . 6 1 1 A 39 39 MET CA C 39 56.330 58.677 -2.347 1
1 396 . 6 1 1 A 39 39 MET CB C 39 31.180 31.607 -0.427 1
1 398 . 6 1 1 A 39 39 MET N N 39 118.020 117.871 0.149 1
1 399 . 6 1 1 A 40 40 LYS H H 40 9.530 8.754 0.776 1
1 400 . 6 1 1 A 40 40 LYS HA H 40 3.860 4.032 -0.172 1
1 406 . 6 1 1 A 40 40 LYS C C 40 179.620 179.082 0.538 1
1 407 . 6 1 1 A 40 40 LYS CA C 40 61.360 59.957 1.403 1
1 408 . 6 1 1 A 40 40 LYS CB C 40 32.120 32.221 -0.101 1
1 412 . 6 1 1 A 40 40 LYS N N 40 122.280 119.318 2.962 1
1 413 . 6 1 1 A 41 41 ARG H H 41 7.560 7.566 -0.006 1
1 414 . 6 1 1 A 41 41 ARG HA H 41 4.200 4.133 0.067 1
1 421 . 6 1 1 A 41 41 ARG C C 41 179.650 178.884 0.766 1
1 422 . 6 1 1 A 41 41 ARG CA C 41 59.350 58.781 0.569 1
1 423 . 6 1 1 A 41 41 ARG CB C 41 29.300 29.831 -0.531 1
1 426 . 6 1 1 A 41 41 ARG N N 41 117.590 119.927 -2.337 1
1 427 . 6 1 1 A 42 42 VAL H H 42 7.570 7.576 -0.006 1
1 428 . 6 1 1 A 42 42 VAL HA H 42 3.670 3.723 -0.053 1
1 436 . 6 1 1 A 42 42 VAL C C 42 177.480 178.622 -1.142 1
1 437 . 6 1 1 A 42 42 VAL CA C 42 66.420 66.219 0.201 1
1 438 . 6 1 1 A 42 42 VAL CB C 42 30.700 31.676 -0.976 1
1 441 . 6 1 1 A 42 42 VAL N N 42 121.450 119.504 1.946 1
1 442 . 6 1 1 A 43 43 VAL H H 43 8.450 8.733 -0.283 1
1 443 . 6 1 1 A 43 43 VAL HA H 43 3.540 3.635 -0.095 1
1 448 . 6 1 1 A 43 43 VAL C C 43 178.950 178.075 0.875 1
1 449 . 6 1 1 A 43 43 VAL CA C 43 66.940 66.558 0.382 1
1 450 . 6 1 1 A 43 43 VAL CB C 43 31.090 31.813 -0.723 1
1 452 . 6 1 1 A 43 43 VAL N N 43 120.380 120.747 -0.367 1
1 453 . 6 1 1 A 44 44 GLN H H 44 8.400 9.522 -1.122 1
1 454 . 6 1 1 A 44 44 GLN HA H 44 4.020 4.024 -0.004 1
1 457 . 6 1 1 A 44 44 GLN C C 44 177.240 178.444 -1.204 1
1 458 . 6 1 1 A 44 44 GLN CA C 44 58.550 58.662 -0.112 1
1 459 . 6 1 1 A 44 44 GLN CB C 44 27.550 28.232 -0.682 1
1 461 . 6 1 1 A 44 44 GLN N N 44 119.280 117.805 1.475 1
1 462 . 6 1 1 A 45 45 HIS H H 45 8.070 8.015 0.055 1
1 463 . 6 1 1 A 45 45 HIS HA H 45 4.280 4.274 0.006 1
1 465 . 6 1 1 A 45 45 HIS C C 45 177.800 177.045 0.755 1
1 466 . 6 1 1 A 45 45 HIS CA C 45 59.440 59.082 0.358 1
1 467 . 6 1 1 A 45 45 HIS CB C 45 26.760 30.048 -3.288 1
1 468 . 6 1 1 A 45 45 HIS N N 45 119.000 121.501 -2.501 1
1 469 . 6 1 1 A 46 46 THR H H 46 7.800 8.755 -0.955 1
1 470 . 6 1 1 A 46 46 THR HA H 46 3.870 3.478 0.392 1
1 475 . 6 1 1 A 46 46 THR C C 46 175.850 176.168 -0.318 1
1 476 . 6 1 1 A 46 46 THR CA C 46 65.410 66.685 -1.275 1
1 477 . 6 1 1 A 46 46 THR CB C 46 68.850 68.570 0.280 1
1 479 . 6 1 1 A 46 46 THR N N 46 110.300 114.895 -4.595 1
1 480 . 6 1 1 A 47 47 LYS H H 47 7.310 7.986 -0.676 1
1 481 . 6 1 1 A 47 47 LYS HA H 47 4.100 4.320 -0.220 1
1 488 . 6 1 1 A 47 47 LYS C C 47 177.640 179.836 -2.196 1
1 489 . 6 1 1 A 47 47 LYS CA C 47 58.310 59.051 -0.741 1
1 490 . 6 1 1 A 47 47 LYS CB C 47 31.420 32.171 -0.751 1
1 494 . 6 1 1 A 47 47 LYS N N 47 120.240 118.975 1.265 1
1 495 . 6 1 1 A 48 48 GLY H H 48 7.159 7.997 -0.838 1
1 496 . 6 1 1 A 48 48 GLY HA2 H 48 4.410 4.007 0.403 1
1 497 . 6 1 1 A 48 48 GLY HA3 H 48 3.680 4.048 -0.368 1
1 498 . 6 1 1 A 48 48 GLY C C 48 173.850 174.183 -0.333 1
1 499 . 6 1 1 A 48 48 GLY CA C 48 44.433 46.664 -2.231 1
1 500 . 6 1 1 A 48 48 GLY N N 48 103.360 106.876 -3.516 1
1 501 . 6 1 1 A 49 49 CYS H H 49 6.910 7.830 -0.920 1
1 502 . 6 1 1 A 49 49 CYS HA H 49 4.020 4.619 -0.599 1
1 505 . 6 1 1 A 49 49 CYS C C 49 176.710 174.636 2.074 1
1 506 . 6 1 1 A 49 49 CYS CA C 49 60.620 57.750 2.870 1
1 507 . 6 1 1 A 49 49 CYS CB C 49 29.260 29.383 -0.123 1
1 508 . 6 1 1 A 49 49 CYS N N 49 123.280 119.352 3.928 1
1 509 . 6 1 1 A 50 50 LYS H H 50 8.960 9.098 -0.138 1
1 510 . 6 1 1 A 50 50 LYS HA H 50 3.980 4.090 -0.110 1
1 519 . 6 1 1 A 50 50 LYS C C 50 177.580 178.782 -1.202 1
1 520 . 6 1 1 A 50 50 LYS CA C 50 56.280 58.929 -2.649 1
1 521 . 6 1 1 A 50 50 LYS CB C 50 32.150 32.568 -0.418 1
1 525 . 6 1 1 A 50 50 LYS N N 50 128.200 128.463 -0.263 1
1 526 . 6 1 1 A 51 51 ARG H H 51 8.530 8.043 0.487 1
1 527 . 6 1 1 A 51 51 ARG HA H 51 4.460 4.010 0.450 1
1 533 . 6 1 1 A 51 51 ARG C C 51 176.700 178.713 -2.013 1
1 534 . 6 1 1 A 51 51 ARG CA C 51 57.203 59.246 -2.043 1
1 535 . 6 1 1 A 51 51 ARG CB C 51 30.969 29.705 1.264 1
1 538 . 6 1 1 A 51 51 ARG N N 51 122.350 120.607 1.743 1
1 539 . 6 1 1 A 52 52 LYS H H 52 8.420 7.725 0.695 1
1 540 . 6 1 1 A 52 52 LYS HA H 52 4.470 4.087 0.383 1
1 549 . 6 1 1 A 52 52 LYS C C 52 177.300 179.483 -2.183 1
1 550 . 6 1 1 A 52 52 LYS CA C 52 57.600 58.932 -1.332 1
1 551 . 6 1 1 A 52 52 LYS CB C 52 31.627 32.228 -0.601 1
1 555 . 6 1 1 A 52 52 LYS N N 52 118.820 119.236 -0.416 1
1 556 . 6 1 1 A 53 53 THR H H 53 7.760 7.882 -0.122 1
1 557 . 6 1 1 A 53 53 THR HA H 53 4.230 4.268 -0.038 1
1 562 . 6 1 1 A 53 53 THR C C 53 175.700 175.002 0.698 1
1 563 . 6 1 1 A 53 53 THR CA C 53 63.390 65.374 -1.984 1
1 564 . 6 1 1 A 53 53 THR CB C 53 68.220 68.545 -0.325 1
1 566 . 6 1 1 A 53 53 THR N N 53 112.860 116.989 -4.129 1
1 567 . 6 1 1 A 54 54 ASN H H 54 8.260 7.603 0.657 1
1 568 . 6 1 1 A 54 54 ASN HA H 54 4.110 4.858 -0.748 1
1 570 . 6 1 1 A 54 54 ASN C C 54 175.970 175.643 0.327 1
1 571 . 6 1 1 A 54 54 ASN CA C 54 53.300 52.946 0.354 1
1 572 . 6 1 1 A 54 54 ASN CB C 54 37.810 39.062 -1.252 1
1 573 . 6 1 1 A 54 54 ASN N N 54 119.690 116.538 3.152 1
1 574 . 6 1 1 A 55 55 GLY H H 55 7.960 8.638 -0.678 1
1 575 . 6 1 1 A 55 55 GLY HA2 H 55 4.010 3.925 0.085 1
1 576 . 6 1 1 A 55 55 GLY HA3 H 55 4.010 3.941 0.069 1
1 577 . 6 1 1 A 55 55 GLY C C 55 175.270 175.935 -0.665 1
1 578 . 6 1 1 A 55 55 GLY CA C 55 45.610 45.384 0.226 1
1 579 . 6 1 1 A 55 55 GLY N N 55 107.340 107.263 0.077 1
1 580 . 6 1 1 A 56 56 GLY H H 56 7.820 7.567 0.253 1
1 581 . 6 1 1 A 56 56 GLY HA2 H 56 3.970 3.864 0.106 1
1 582 . 6 1 1 A 56 56 GLY HA3 H 56 3.970 3.864 0.106 1
1 583 . 6 1 1 A 56 56 GLY C C 56 173.320 174.840 -1.520 1
1 584 . 6 1 1 A 56 56 GLY CA C 56 45.350 47.284 -1.934 1
1 585 . 6 1 1 A 56 56 GLY N N 56 107.080 107.470 -0.390 1
1 586 . 6 1 1 A 57 57 CYS H H 57 8.010 7.747 0.263 1
1 587 . 6 1 1 A 57 57 CYS HA H 57 4.870 4.598 0.272 1
1 590 . 6 1 1 A 57 57 CYS C C 57 175.610 174.546 1.064 1
1 591 . 6 1 1 A 57 57 CYS CA C 57 55.340 57.362 -2.022 1
1 592 . 6 1 1 A 57 57 CYS CB C 57 30.160 28.442 1.718 1
1 593 . 6 1 1 A 57 57 CYS N N 57 122.570 118.703 3.867 1
1 594 . 6 1 1 A 58 58 PRO HA H 58 4.320 4.277 0.043 1
1 601 . 6 1 1 A 58 58 PRO CA C 58 64.550 65.208 -0.658 1
1 602 . 6 1 1 A 58 58 PRO CB C 58 32.050 31.859 0.191 1
1 605 . 6 1 1 A 59 59 ILE H H 59 7.917 7.438 0.479 1
1 606 . 6 1 1 A 59 59 ILE HA H 59 3.550 3.834 -0.284 1
1 616 . 6 1 1 A 59 59 ILE C C 59 178.040 177.587 0.453 1
1 617 . 6 1 1 A 59 59 ILE CA C 59 64.540 64.449 0.091 1
1 618 . 6 1 1 A 59 59 ILE CB C 59 38.160 38.181 -0.021 1
1 622 . 6 1 1 A 59 59 ILE N N 59 120.680 116.554 4.126 1
1 623 . 6 1 1 A 60 60 CYS H H 60 8.920 8.205 0.715 1
1 624 . 6 1 1 A 60 60 CYS HA H 60 4.105 4.033 0.072 1
1 627 . 6 1 1 A 60 60 CYS C C 60 177.540 176.852 0.688 1
1 628 . 6 1 1 A 60 60 CYS CA C 60 66.000 62.319 3.681 1
1 629 . 6 1 1 A 60 60 CYS CB C 60 28.750 26.956 1.794 1
1 630 . 6 1 1 A 60 60 CYS N N 60 123.890 121.004 2.886 1
1 631 . 6 1 1 A 61 61 LYS H H 61 8.100 8.658 -0.558 1
1 632 . 6 1 1 A 61 61 LYS HA H 61 3.920 3.879 0.041 1
1 639 . 6 1 1 A 61 61 LYS C C 61 179.030 178.239 0.791 1
1 640 . 6 1 1 A 61 61 LYS CA C 61 59.610 59.694 -0.084 1
1 641 . 6 1 1 A 61 61 LYS CB C 61 32.040 32.526 -0.486 1
1 645 . 6 1 1 A 61 61 LYS N N 61 117.130 120.725 -3.595 1
1 646 . 6 1 1 A 62 62 GLN H H 62 7.010 8.497 -1.487 1
1 647 . 6 1 1 A 62 62 GLN HA H 62 4.150 4.088 0.062 1
1 652 . 6 1 1 A 62 62 GLN C C 62 178.340 178.212 0.128 1
1 653 . 6 1 1 A 62 62 GLN CA C 62 58.520 58.654 -0.134 1
1 654 . 6 1 1 A 62 62 GLN CB C 62 27.587 28.163 -0.576 1
1 656 . 6 1 1 A 62 62 GLN N N 62 117.000 118.375 -1.375 1
1 657 . 6 1 1 A 63 63 LEU H H 63 7.980 8.139 -0.159 1
1 658 . 6 1 1 A 63 63 LEU HA H 63 4.160 3.962 0.198 1
1 667 . 6 1 1 A 63 63 LEU C C 63 179.060 178.042 1.018 1
1 668 . 6 1 1 A 63 63 LEU CA C 63 57.830 58.072 -0.242 1
1 669 . 6 1 1 A 63 63 LEU CB C 63 41.270 41.150 0.120 1
1 673 . 6 1 1 A 63 63 LEU N N 63 119.730 121.164 -1.434 1
1 674 . 6 1 1 A 64 64 ILE H H 64 8.481 8.646 -0.165 1
1 675 . 6 1 1 A 64 64 ILE HA H 64 3.650 3.384 0.266 1
1 685 . 6 1 1 A 64 64 ILE C C 64 179.930 177.912 2.018 1
1 686 . 6 1 1 A 64 64 ILE CA C 64 65.220 65.710 -0.490 1
1 687 . 6 1 1 A 64 64 ILE CB C 64 36.960 37.747 -0.787 1
1 691 . 6 1 1 A 64 64 ILE N N 64 120.350 119.589 0.761 1
1 692 . 6 1 1 A 65 65 ALA H H 65 7.300 7.738 -0.438 1
1 693 . 6 1 1 A 65 65 ALA HA H 65 4.200 4.008 0.192 1
1 697 . 6 1 1 A 65 65 ALA C C 65 180.010 180.015 -0.005 1
1 698 . 6 1 1 A 65 65 ALA CA C 65 54.940 55.772 -0.832 1
1 699 . 6 1 1 A 65 65 ALA CB C 65 18.010 18.672 -0.662 1
1 700 . 6 1 1 A 65 65 ALA N N 65 122.510 123.019 -0.509 1
1 701 . 6 1 1 A 66 66 LEU H H 66 8.120 8.532 -0.412 1
1 702 . 6 1 1 A 66 66 LEU HA H 66 4.100 4.304 -0.204 1
1 712 . 6 1 1 A 66 66 LEU C C 66 179.480 178.609 0.871 1
1 713 . 6 1 1 A 66 66 LEU CA C 66 57.540 57.904 -0.364 1
1 714 . 6 1 1 A 66 66 LEU CB C 66 41.940 41.314 0.626 1
1 718 . 6 1 1 A 66 66 LEU N N 66 115.490 120.024 -4.534 1
1 719 . 6 1 1 A 67 67 ALA H H 67 8.840 9.054 -0.214 1
1 720 . 6 1 1 A 67 67 ALA HA H 67 4.000 4.140 -0.140 1
1 724 . 6 1 1 A 67 67 ALA C C 67 179.000 179.719 -0.719 1
1 725 . 6 1 1 A 67 67 ALA CA C 67 55.490 55.271 0.219 1
1 726 . 6 1 1 A 67 67 ALA CB C 67 18.460 18.278 0.182 1
1 727 . 6 1 1 A 67 67 ALA N N 67 121.500 120.669 0.831 1
1 728 . 6 1 1 A 68 68 ALA H H 68 8.500 8.387 0.113 1
1 729 . 6 1 1 A 68 68 ALA HA H 68 4.160 3.977 0.183 1
1 733 . 6 1 1 A 68 68 ALA C C 68 179.070 179.514 -0.444 1
1 734 . 6 1 1 A 68 68 ALA CA C 68 55.290 55.112 0.178 1
1 735 . 6 1 1 A 68 68 ALA CB C 68 17.524 18.943 -1.419 1
1 736 . 6 1 1 A 68 68 ALA N N 68 120.100 119.595 0.505 1
1 737 . 6 1 1 A 69 69 TYR H H 69 7.850 7.877 -0.027 1
1 738 . 6 1 1 A 69 69 TYR HA H 69 4.310 4.357 -0.047 1
1 741 . 6 1 1 A 69 69 TYR CA C 69 56.141 60.880 -4.739 1
1 742 . 6 1 1 A 69 69 TYR CB C 69 37.943 38.017 -0.074 1
1 743 . 6 1 1 A 69 69 TYR N N 69 118.930 116.010 2.920 1
1 744 . 6 1 1 A 70 70 HIS H H 70 7.960 8.032 -0.072 1
1 745 . 6 1 1 A 70 70 HIS HA H 70 4.510 4.320 0.190 1
1 748 . 6 1 1 A 70 70 HIS CA C 70 54.640 60.583 -5.943 1
1 749 . 6 1 1 A 70 70 HIS CB C 70 27.560 29.606 -2.046 1
1 750 . 6 1 1 A 70 70 HIS N N 70 125.790 119.634 6.156 1
1 751 . 6 1 1 A 71 71 ALA H H 71 9.190 9.436 -0.246 1
1 752 . 6 1 1 A 71 71 ALA HA H 71 3.960 3.960 0.000 1
1 756 . 6 1 1 A 71 71 ALA C C 71 179.070 179.838 -0.768 1
1 757 . 6 1 1 A 71 71 ALA CA C 71 54.510 54.871 -0.361 1
1 758 . 6 1 1 A 71 71 ALA CB C 71 19.240 18.086 1.154 1
1 759 . 6 1 1 A 71 71 ALA N N 71 121.760 121.121 0.639 1
1 760 . 6 1 1 A 72 72 LYS H H 72 6.950 7.488 -0.538 1
1 761 . 6 1 1 A 72 72 LYS HA H 72 3.920 4.094 -0.174 1
1 770 . 6 1 1 A 72 72 LYS C C 72 176.750 179.042 -2.292 1
1 771 . 6 1 1 A 72 72 LYS CA C 72 57.690 59.099 -1.409 1
1 772 . 6 1 1 A 72 72 LYS CB C 72 31.720 32.756 -1.036 1
1 776 . 6 1 1 A 72 72 LYS N N 72 114.500 117.388 -2.888 1
1 777 . 6 1 1 A 73 73 HIS H H 73 7.140 8.340 -1.200 1
1 778 . 6 1 1 A 73 73 HIS HA H 73 4.830 4.201 0.629 1
1 781 . 6 1 1 A 73 73 HIS C C 73 173.590 175.974 -2.384 1
1 782 . 6 1 1 A 73 73 HIS CA C 73 54.070 59.946 -5.876 1
1 783 . 6 1 1 A 73 73 HIS CB C 73 29.640 29.776 -0.136 1
1 784 . 6 1 1 A 73 73 HIS N N 73 113.180 119.493 -6.313 1
1 785 . 6 1 1 A 74 74 CYS H H 74 7.020 8.284 -1.264 1
1 786 . 6 1 1 A 74 74 CYS HA H 74 4.140 4.274 -0.134 1
1 789 . 6 1 1 A 74 74 CYS C C 74 176.120 175.349 0.771 1
1 790 . 6 1 1 A 74 74 CYS CA C 74 59.829 58.571 1.258 1
1 791 . 6 1 1 A 74 74 CYS CB C 74 29.473 27.573 1.900 1
1 792 . 6 1 1 A 74 74 CYS N N 74 123.590 117.351 6.239 1
1 793 . 6 1 1 A 75 75 GLN H H 75 9.070 8.968 0.102 1
1 794 . 6 1 1 A 75 75 GLN HA H 75 4.705 4.384 0.321 1
1 798 . 6 1 1 A 75 75 GLN C C 75 175.620 175.318 0.302 1
1 799 . 6 1 1 A 75 75 GLN CA C 75 54.290 57.051 -2.761 1
1 800 . 6 1 1 A 75 75 GLN CB C 75 28.760 29.022 -0.262 1
1 802 . 6 1 1 A 75 75 GLN N N 75 128.650 127.984 0.666 1
1 803 . 6 1 1 A 76 76 GLU H H 76 8.260 7.649 0.611 1
1 804 . 6 1 1 A 76 76 GLU HA H 76 4.410 4.829 -0.419 1
1 809 . 6 1 1 A 76 76 GLU C C 76 176.700 175.274 1.426 1
1 810 . 6 1 1 A 76 76 GLU CA C 76 55.510 55.348 0.162 1
1 811 . 6 1 1 A 76 76 GLU CB C 76 29.860 32.860 -3.000 1
1 813 . 6 1 1 A 76 76 GLU N N 76 123.000 120.195 2.805 1
1 814 . 6 1 1 A 77 77 ASN H H 77 8.830 8.591 0.239 1
1 815 . 6 1 1 A 77 77 ASN HA H 77 4.530 4.718 -0.188 1
1 818 . 6 1 1 A 77 77 ASN C C 77 175.700 175.798 -0.098 1
1 819 . 6 1 1 A 77 77 ASN CA C 77 55.030 52.059 2.971 1
1 820 . 6 1 1 A 77 77 ASN CB C 77 38.030 37.750 0.280 1
1 821 . 6 1 1 A 77 77 ASN N N 77 125.100 123.851 1.249 1
1 822 . 6 1 1 A 78 78 LYS H H 78 8.660 8.450 0.210 1
1 823 . 6 1 1 A 78 78 LYS HA H 78 4.440 3.965 0.475 1
1 832 . 6 1 1 A 78 78 LYS C C 78 174.930 176.138 -1.208 1
1 833 . 6 1 1 A 78 78 LYS CA C 78 54.120 59.247 -5.127 1
1 834 . 6 1 1 A 78 78 LYS CB C 78 30.120 32.420 -2.300 1
1 838 . 6 1 1 A 78 78 LYS N N 78 120.580 125.651 -5.071 1
1 839 . 6 1 1 A 79 79 CYS H H 79 7.320 7.829 -0.509 1
1 840 . 6 1 1 A 79 79 CYS HA H 79 4.160 4.518 -0.358 1
1 843 . 6 1 1 A 79 79 CYS C C 79 176.230 174.963 1.267 1
1 844 . 6 1 1 A 79 79 CYS CA C 79 60.480 60.217 0.263 1
1 845 . 6 1 1 A 79 79 CYS CB C 79 28.440 27.527 0.913 1
1 846 . 6 1 1 A 79 79 CYS N N 79 124.350 115.382 8.968 1
1 847 . 6 1 1 A 80 80 PRO HA H 80 4.730 4.462 0.268 1
1 854 . 6 1 1 A 80 80 PRO CA C 80 62.580 63.758 -1.178 1
1 855 . 6 1 1 A 80 80 PRO CB C 80 31.540 32.088 -0.548 1
1 858 . 6 1 1 A 81 81 VAL H H 81 9.030 7.942 1.088 1
1 859 . 6 1 1 A 81 81 VAL HA H 81 3.570 4.182 -0.612 1
1 867 . 6 1 1 A 81 81 VAL CA C 81 62.220 59.477 2.743 1
1 868 . 6 1 1 A 81 81 VAL CB C 81 30.990 31.872 -0.882 1
1 871 . 6 1 1 A 81 81 VAL N N 81 127.570 120.034 7.536 1
1 872 . 6 1 1 A 82 82 PRO HA H 82 4.860 4.210 0.650 1
1 879 . 6 1 1 A 82 82 PRO CA C 82 62.860 65.455 -2.595 1
1 880 . 6 1 1 A 82 82 PRO CB C 82 31.550 31.217 0.333 1
1 883 . 6 1 1 A 83 83 PHE H H 83 6.940 6.566 0.374 1
1 884 . 6 1 1 A 83 83 PHE HA H 83 4.460 4.365 0.095 1
1 887 . 6 1 1 A 83 83 PHE C C 83 177.240 178.328 -1.088 1
1 888 . 6 1 1 A 83 83 PHE CA C 83 59.880 60.848 -0.968 1
1 889 . 6 1 1 A 83 83 PHE CB C 83 37.550 38.309 -0.759 1
1 890 . 6 1 1 A 83 83 PHE N N 83 123.530 117.078 6.452 1
1 891 . 6 1 1 A 84 84 CYS H H 84 7.020 8.235 -1.215 1
1 892 . 6 1 1 A 84 84 CYS HA H 84 4.100 4.213 -0.113 1
1 895 . 6 1 1 A 84 84 CYS CA C 84 66.560 62.216 4.344 1
1 896 . 6 1 1 A 84 84 CYS CB C 84 29.770 26.948 2.822 1
1 897 . 6 1 1 A 84 84 CYS N N 84 111.010 118.360 -7.350 1
1 898 . 6 1 1 A 85 85 LEU H H 85 8.190 7.948 0.242 1
1 899 . 6 1 1 A 85 85 LEU HA H 85 4.130 3.922 0.208 1
1 908 . 6 1 1 A 85 85 LEU C C 85 178.700 179.647 -0.947 1
1 909 . 6 1 1 A 85 85 LEU CA C 85 57.450 57.964 -0.514 1
1 910 . 6 1 1 A 85 85 LEU CB C 85 41.720 40.930 0.790 1
1 914 . 6 1 1 A 85 85 LEU N N 85 120.080 121.198 -1.118 1
1 915 . 6 1 1 A 86 86 ASN H H 86 7.740 8.110 -0.370 1
1 916 . 6 1 1 A 86 86 ASN HA H 86 4.530 4.547 -0.017 1
1 919 . 6 1 1 A 86 86 ASN C C 86 177.040 176.851 0.189 1
1 920 . 6 1 1 A 86 86 ASN CA C 86 55.510 56.456 -0.946 1
1 921 . 6 1 1 A 86 86 ASN CB C 86 38.650 37.934 0.716 1
1 922 . 6 1 1 A 86 86 ASN N N 86 115.410 118.572 -3.162 1
1 923 . 6 1 1 A 87 87 ILE H H 87 8.190 7.650 0.540 1
1 924 . 6 1 1 A 87 87 ILE HA H 87 3.960 3.979 -0.019 1
1 934 . 6 1 1 A 87 87 ILE C C 87 177.980 178.264 -0.284 1
1 935 . 6 1 1 A 87 87 ILE CA C 87 63.050 63.581 -0.531 1
1 936 . 6 1 1 A 87 87 ILE CB C 87 36.950 38.132 -1.182 1
1 940 . 6 1 1 A 87 87 ILE N N 87 120.100 119.162 0.938 1
1 941 . 6 1 1 A 88 88 LYS H H 88 8.300 9.002 -0.702 1
1 942 . 6 1 1 A 88 88 LYS HA H 88 4.160 3.964 0.196 1
1 949 . 6 1 1 A 88 88 LYS C C 88 179.730 179.038 0.692 1
1 950 . 6 1 1 A 88 88 LYS CA C 88 59.030 60.055 -1.025 1
1 951 . 6 1 1 A 88 88 LYS CB C 88 27.530 31.972 -4.442 1
1 953 . 6 1 1 A 88 88 LYS N N 88 118.760 119.710 -0.950 1
1 954 . 6 1 1 A 89 89 GLN H H 89 8.730 7.619 1.111 1
1 955 . 6 1 1 A 89 89 GLN HA H 89 4.440 4.113 0.327 1
1 958 . 6 1 1 A 89 89 GLN CA C 89 56.350 58.587 -2.237 1
1 959 . 6 1 1 A 89 89 GLN CB C 89 27.750 28.127 -0.377 1
1 961 . 6 1 1 A 89 89 GLN N N 89 122.660 119.799 2.861 1
1 978 . 6 2 2 B 2 2 GLU C C 2 176.270 176.456 -0.186 1
1 979 . 6 2 2 B 2 2 GLU CA C 2 56.070 58.899 -2.829 1
1 980 . 6 2 2 B 2 2 GLU CB C 2 29.100 30.211 -1.111 1
1 981 . 6 2 2 B 3 3 GLU HA H 3 4.650 4.394 0.256 1
1 986 . 6 2 2 B 3 3 GLU C C 3 176.270 177.032 -0.762 1
1 987 . 6 2 2 B 3 3 GLU CA C 3 53.970 57.593 -3.623 1
1 988 . 6 2 2 B 3 3 GLU CB C 3 29.200 32.180 -2.980 1
1 990 . 6 2 2 B 4 4 PRO HA H 4 4.510 4.264 0.246 1
1 997 . 6 2 2 B 4 4 PRO C C 4 181.100 177.279 3.821 1
1 998 . 6 2 2 B 4 4 PRO CA C 4 62.900 64.654 -1.754 1
1 999 . 6 2 2 B 4 4 PRO CB C 4 31.402 31.669 -0.267 1
1 1002 . 6 2 2 B 5 5 GLN H H 5 8.530 7.909 0.621 1
1 1003 . 6 2 2 B 5 5 GLN HA H 5 4.430 4.139 0.291 1
1 1007 . 6 2 2 B 5 5 GLN C C 5 176.100 174.708 1.392 1
1 1008 . 6 2 2 B 5 5 GLN CA C 5 53.450 56.616 -3.166 1
1 1009 . 6 2 2 B 5 5 GLN CB C 5 28.990 27.459 1.531 1
1 1011 . 6 2 2 B 5 5 GLN N N 5 120.510 116.270 4.240 1
1 1012 . 6 2 2 B 6 6 SER H H 6 8.330 8.025 0.305 1
1 1013 . 6 2 2 B 6 6 SER HA H 6 4.500 4.315 0.185 1
1 1015 . 6 2 2 B 6 6 SER C C 6 173.920 174.404 -0.484 1
1 1016 . 6 2 2 B 6 6 SER CA C 6 57.860 58.995 -1.135 1
1 1017 . 6 2 2 B 6 6 SER CB C 6 63.230 63.526 -0.296 1
1 1018 . 6 2 2 B 6 6 SER N N 6 117.080 118.997 -1.917 1
1 1019 . 6 2 2 B 7 7 ASP H H 7 8.380 8.776 -0.396 1
1 1020 . 6 2 2 B 7 7 ASP HA H 7 4.960 4.570 0.390 1
1 1023 . 6 2 2 B 7 7 ASP C C 7 174.780 176.968 -2.188 1
1 1024 . 6 2 2 B 7 7 ASP CA C 7 51.960 57.683 -5.723 1
1 1025 . 6 2 2 B 7 7 ASP CB C 7 40.850 40.812 0.038 1
1 1026 . 6 2 2 B 7 7 ASP N N 7 123.030 127.575 -4.545 1
1 1027 . 6 2 2 B 8 8 PRO HA H 8 4.450 4.338 0.112 1
1 1034 . 6 2 2 B 8 8 PRO C C 8 177.080 177.729 -0.649 1
1 1035 . 6 2 2 B 8 8 PRO CA C 8 63.520 65.640 -2.120 1
1 1036 . 6 2 2 B 8 8 PRO CB C 8 31.612 30.795 0.817 1
1 1039 . 6 2 2 B 9 9 SER H H 9 8.520 8.321 0.199 1
1 1040 . 6 2 2 B 9 9 SER HA H 9 4.450 4.617 -0.167 1
1 1042 . 6 2 2 B 9 9 SER C C 9 174.420 174.479 -0.059 1
1 1043 . 6 2 2 B 9 9 SER CA C 9 58.590 59.238 -0.648 1
1 1044 . 6 2 2 B 9 9 SER CB C 9 63.330 63.982 -0.652 1
1 1045 . 6 2 2 B 9 9 SER N N 9 116.010 112.032 3.978 1
1 1046 . 6 2 2 B 10 10 VAL H H 10 7.771 7.613 0.158 1
1 1047 . 6 2 2 B 10 10 VAL HA H 10 4.200 4.131 0.069 1
1 1055 . 6 2 2 B 10 10 VAL C C 10 174.430 174.689 -0.259 1
1 1056 . 6 2 2 B 10 10 VAL CA C 10 61.330 62.055 -0.725 1
1 1057 . 6 2 2 B 10 10 VAL CB C 10 32.340 30.607 1.733 1
1 1060 . 6 2 2 B 10 10 VAL N N 10 121.350 120.324 1.026 1
1 1061 . 6 2 2 B 11 11 GLU H H 11 8.000 8.581 -0.581 1
1 1062 . 6 2 2 B 11 11 GLU HA H 11 4.660 4.940 -0.280 1
1 1067 . 6 2 2 B 11 11 GLU C C 11 173.740 174.637 -0.897 1
1 1068 . 6 2 2 B 11 11 GLU CA C 11 53.130 53.272 -0.142 1
1 1069 . 6 2 2 B 11 11 GLU CB C 11 29.826 30.715 -0.889 1
1 1071 . 6 2 2 B 11 11 GLU N N 11 125.070 126.868 -1.798 1
1 1072 . 6 2 2 B 12 12 PRO HA H 12 4.520 4.446 0.074 1
1 1079 . 6 2 2 B 12 12 PRO CA C 12 63.570 63.221 0.349 1
1 1080 . 6 2 2 B 12 12 PRO CB C 12 31.350 31.682 -0.332 1
1 1083 . 6 2 2 B 13 13 PRO HA H 13 4.510 4.480 0.030 1
1 1090 . 6 2 2 B 13 13 PRO C C 13 175.980 177.284 -1.304 1
1 1091 . 6 2 2 B 13 13 PRO CB C 13 31.720 31.922 -0.202 1
1 1094 . 6 2 2 B 14 14 LEU H H 14 7.900 8.969 -1.069 1
1 1095 . 6 2 2 B 14 14 LEU HA H 14 4.480 4.494 -0.014 1
1 1101 . 6 2 2 B 14 14 LEU C C 14 177.260 176.894 0.366 1
1 1102 . 6 2 2 B 14 14 LEU CA C 14 52.290 54.274 -1.984 1
1 1103 . 6 2 2 B 14 14 LEU CB C 14 41.270 42.197 -0.927 1
1 1106 . 6 2 2 B 14 14 LEU N N 14 120.860 122.156 -1.296 1
1 1107 . 6 2 2 B 15 15 SER H H 15 8.620 8.206 0.414 1
1 1108 . 6 2 2 B 15 15 SER HA H 15 4.510 4.487 0.023 1
1 1111 . 6 2 2 B 15 15 SER C C 15 175.040 174.476 0.564 1
1 1112 . 6 2 2 B 15 15 SER CA C 15 57.330 59.891 -2.561 1
1 1113 . 6 2 2 B 15 15 SER CB C 15 63.960 62.857 1.103 1
1 1114 . 6 2 2 B 15 15 SER N N 15 117.360 113.642 3.718 1
1 1115 . 6 2 2 B 16 16 GLN H H 16 8.700 8.046 0.654 1
1 1116 . 6 2 2 B 16 16 GLN HA H 16 4.400 4.939 -0.539 1
1 1120 . 6 2 2 B 16 16 GLN C C 16 176.280 176.540 -0.260 1
1 1121 . 6 2 2 B 16 16 GLN CA C 16 56.170 55.186 0.984 1
1 1122 . 6 2 2 B 16 16 GLN CB C 16 29.310 29.468 -0.158 1
1 1124 . 6 2 2 B 16 16 GLN N N 16 122.480 118.555 3.925 1
1 1125 . 6 2 2 B 18 18 THR H H 18 7.860 8.098 -0.238 1
1 1126 . 6 2 2 B 18 18 THR HA H 18 4.080 3.945 0.135 1
1 1131 . 6 2 2 B 18 18 THR C C 18 175.900 176.294 -0.394 1
1 1132 . 6 2 2 B 18 18 THR CA C 18 66.280 66.539 -0.259 1
1 1133 . 6 2 2 B 18 18 THR CB C 18 67.550 68.743 -1.193 1
1 1135 . 6 2 2 B 18 18 THR N N 18 116.790 115.537 1.253 1
1 1136 . 6 2 2 B 19 19 PHE H H 19 8.640 8.585 0.055 1
1 1137 . 6 2 2 B 19 19 PHE HA H 19 4.340 4.359 -0.019 1
1 1140 . 6 2 2 B 19 19 PHE C C 19 176.340 178.342 -2.002 1
1 1141 . 6 2 2 B 19 19 PHE CA C 19 59.680 61.447 -1.767 1
1 1142 . 6 2 2 B 19 19 PHE CB C 19 38.070 39.046 -0.976 1
1 1143 . 6 2 2 B 19 19 PHE N N 19 120.710 120.660 0.050 1
1 1144 . 6 2 2 B 20 20 SER H H 20 8.260 8.708 -0.448 1
1 1145 . 6 2 2 B 20 20 SER C C 20 176.100 176.671 -0.571 1
1 1146 . 6 2 2 B 20 20 SER CA C 20 61.280 61.747 -0.467 1
1 1147 . 6 2 2 B 20 20 SER CB C 20 61.980 63.297 -1.317 1
1 1148 . 6 2 2 B 20 20 SER N N 20 114.000 114.542 -0.542 1
1 1149 . 6 2 2 B 21 21 ASP H H 21 7.660 8.089 -0.429 1
1 1150 . 6 2 2 B 21 21 ASP HA H 21 4.520 4.302 0.218 1
1 1153 . 6 2 2 B 21 21 ASP C C 21 177.890 178.779 -0.889 1
1 1154 . 6 2 2 B 21 21 ASP CA C 21 56.070 57.247 -1.177 1
1 1155 . 6 2 2 B 21 21 ASP CB C 21 40.020 40.446 -0.426 1
1 1156 . 6 2 2 B 21 21 ASP N N 21 120.570 121.118 -0.548 1
1 1157 . 6 2 2 B 22 22 LEU H H 22 7.990 8.060 -0.070 1
1 1158 . 6 2 2 B 22 22 LEU HA H 22 3.940 3.996 -0.056 1
1 1165 . 6 2 2 B 22 22 LEU C C 22 178.390 178.879 -0.489 1
1 1166 . 6 2 2 B 22 22 LEU CA C 22 57.440 58.435 -0.995 1
1 1167 . 6 2 2 B 22 22 LEU CB C 22 41.270 41.832 -0.562 1
1 1170 . 6 2 2 B 22 22 LEU N N 22 120.860 119.590 1.270 1
1 1171 . 6 2 2 B 23 23 TRP H H 23 8.920 7.984 0.936 1
1 1172 . 6 2 2 B 23 23 TRP HA H 23 4.200 4.639 -0.439 1
1 1175 . 6 2 2 B 23 23 TRP C C 23 178.090 177.134 0.956 1
1 1176 . 6 2 2 B 23 23 TRP CA C 23 59.310 58.575 0.735 1
1 1177 . 6 2 2 B 23 23 TRP CB C 23 28.550 29.064 -0.514 1
1 1178 . 6 2 2 B 23 23 TRP N N 23 119.580 116.596 2.984 1
1 1179 . 6 2 2 B 24 24 LYS H H 24 7.380 6.841 0.539 1
1 1180 . 6 2 2 B 24 24 LYS HA H 24 4.090 3.750 0.340 1
1 1189 . 6 2 2 B 24 24 LYS C C 24 177.360 177.469 -0.109 1
1 1190 . 6 2 2 B 24 24 LYS CA C 24 57.750 56.516 1.234 1
1 1191 . 6 2 2 B 24 24 LYS CB C 24 31.980 32.299 -0.319 1
1 1195 . 6 2 2 B 24 24 LYS N N 24 116.010 118.050 -2.040 1
1 1196 . 6 2 2 B 25 25 LEU H H 25 7.700 7.594 0.106 1
1 1197 . 6 2 2 B 25 25 LEU HA H 25 4.330 4.483 -0.153 1
1 1207 . 6 2 2 B 25 25 LEU C C 25 177.290 176.122 1.168 1
1 1208 . 6 2 2 B 25 25 LEU CA C 25 54.920 53.963 0.957 1
1 1209 . 6 2 2 B 25 25 LEU CB C 25 42.220 41.580 0.640 1
1 1213 . 6 2 2 B 25 25 LEU N N 25 118.160 117.010 1.150 1
1 1214 . 6 2 2 B 26 26 LEU H H 26 7.350 7.162 0.188 1
1 1215 . 6 2 2 B 26 26 LEU HA H 26 4.540 4.657 -0.117 1
1 1225 . 6 2 2 B 26 26 LEU C C 26 175.090 176.925 -1.835 1
1 1226 . 6 2 2 B 26 26 LEU CA C 26 53.130 53.119 0.011 1
1 1227 . 6 2 2 B 26 26 LEU CB C 26 40.650 41.724 -1.074 1
1 1231 . 6 2 2 B 26 26 LEU N N 26 120.260 118.887 1.373 1
1 1232 . 6 2 2 B 27 27 PRO HA H 27 4.550 4.424 0.126 1
1 1239 . 6 2 2 B 27 27 PRO C C 27 177.410 177.206 0.204 1
1 1240 . 6 2 2 B 27 27 PRO CA C 27 62.420 65.373 -2.953 1
1 1241 . 6 2 2 B 27 27 PRO CB C 27 31.080 31.559 -0.479 1
1 1244 . 6 2 2 B 28 28 GLU H H 28 8.670 7.596 1.074 1
1 1245 . 6 2 2 B 28 28 GLU HA H 28 4.210 4.599 -0.389 1
1 1250 . 6 2 2 B 28 28 GLU C C 28 176.540 175.269 1.271 1
1 1251 . 6 2 2 B 28 28 GLU CA C 28 57.020 56.516 0.504 1
1 1252 . 6 2 2 B 28 28 GLU CB C 28 28.980 31.595 -2.615 1
1 1254 . 6 2 2 B 28 28 GLU N N 28 119.490 114.414 5.076 1
1 1255 . 6 2 2 B 29 29 ASN H H 29 8.220 9.017 -0.797 1
1 1256 . 6 2 2 B 29 29 ASN HA H 29 4.720 4.552 0.168 1
1 1259 . 6 2 2 B 29 29 ASN C C 29 174.980 174.774 0.206 1
1 1260 . 6 2 2 B 29 29 ASN CA C 29 53.130 54.137 -1.007 1
1 1261 . 6 2 2 B 29 29 ASN CB C 29 38.350 36.851 1.499 1
1 1262 . 6 2 2 B 29 29 ASN N N 29 118.090 124.473 -6.383 1
1 1263 . 6 2 2 B 30 30 ASN H H 30 8.260 8.047 0.213 1
1 1264 . 6 2 2 B 30 30 ASN HA H 30 4.740 4.659 0.081 1
1 1267 . 6 2 2 B 30 30 ASN C C 30 175.120 175.101 0.019 1
1 1268 . 6 2 2 B 30 30 ASN CA C 30 53.230 54.518 -1.288 1
1 1269 . 6 2 2 B 30 30 ASN CB C 30 38.550 38.908 -0.358 1
1 1270 . 6 2 2 B 30 30 ASN N N 30 118.720 116.675 2.045 1
1 1271 . 6 2 2 B 31 31 VAL H H 31 8.010 8.887 -0.877 1
1 1272 . 6 2 2 B 31 31 VAL HA H 31 4.150 4.309 -0.159 1
1 1277 . 6 2 2 B 31 31 VAL C C 31 175.990 175.714 0.276 1
1 1278 . 6 2 2 B 31 31 VAL CA C 31 62.270 62.509 -0.239 1
1 1279 . 6 2 2 B 31 31 VAL CB C 31 31.820 32.570 -0.750 1
1 1281 . 6 2 2 B 31 31 VAL N N 31 118.920 123.354 -4.434 1
1 1282 . 6 2 2 B 32 32 LEU H H 32 8.190 8.369 -0.179 1
1 1283 . 6 2 2 B 32 32 LEU HA H 32 4.420 4.587 -0.167 1
1 1292 . 6 2 2 B 32 32 LEU C C 32 176.960 176.385 0.575 1
1 1293 . 6 2 2 B 32 32 LEU CA C 32 54.490 54.187 0.303 1
1 1294 . 6 2 2 B 32 32 LEU CB C 32 41.800 42.071 -0.271 1
1 1298 . 6 2 2 B 32 32 LEU N N 32 123.760 126.120 -2.360 1
1 1299 . 6 2 2 B 33 33 SER H H 33 7.920 7.499 0.421 1
1 1300 . 6 2 2 B 33 33 SER HA H 33 4.790 4.308 0.482 1
1 1303 . 6 2 2 B 33 33 SER C C 33 172.710 173.449 -0.739 1
1 1304 . 6 2 2 B 33 33 SER CA C 33 55.970 56.956 -0.986 1
1 1305 . 6 2 2 B 33 33 SER CB C 33 63.020 63.356 -0.336 1
1 1306 . 6 2 2 B 33 33 SER N N 33 117.150 117.260 -0.110 1
1 1307 . 6 2 2 B 34 34 PRO HA H 34 4.510 4.534 -0.024 1
1 1314 . 6 2 2 B 34 34 PRO C C 34 176.750 175.830 0.920 1
1 1315 . 6 2 2 B 34 34 PRO CA C 34 62.690 63.149 -0.459 1
1 1316 . 6 2 2 B 34 34 PRO CB C 34 31.420 32.446 -1.026 1
1 1319 . 6 2 2 B 35 35 LEU H H 35 8.200 8.154 0.046 1
1 1320 . 6 2 2 B 35 35 LEU HA H 35 4.620 4.958 -0.338 1
1 1326 . 6 2 2 B 35 35 LEU C C 35 175.560 174.982 0.578 1
1 1327 . 6 2 2 B 35 35 LEU CA C 35 52.710 51.108 1.602 1
1 1328 . 6 2 2 B 35 35 LEU CB C 35 41.280 41.761 -0.481 1
1 1331 . 6 2 2 B 35 35 LEU N N 35 123.000 123.063 -0.063 1
1 1332 . 6 2 2 B 36 36 PRO HA H 36 4.850 4.458 0.392 1
1 1339 . 6 2 2 B 36 36 PRO C C 36 176.970 177.374 -0.404 1
1 1340 . 6 2 2 B 36 36 PRO CA C 36 62.690 63.003 -0.313 1
1 1341 . 6 2 2 B 36 36 PRO CB C 36 31.420 31.662 -0.242 1
1 1344 . 6 2 2 B 37 37 SER H H 37 8.280 8.585 -0.305 1
1 1345 . 6 2 2 B 37 37 SER HA H 37 4.520 4.058 0.462 1
1 1347 . 6 2 2 B 37 37 SER C C 37 174.580 173.328 1.252 1
1 1348 . 6 2 2 B 37 37 SER CA C 37 55.870 58.852 -2.982 1
1 1349 . 6 2 2 B 37 37 SER CB C 37 63.360 61.756 1.604 1
1 1350 . 6 2 2 B 37 37 SER N N 37 115.170 118.074 -2.904 1
1 1351 . 6 2 2 B 38 38 GLN H H 38 8.310 8.245 0.065 1
1 1352 . 6 2 2 B 38 38 GLN HA H 38 4.410 4.732 -0.322 1
1 1356 . 6 2 2 B 38 38 GLN C C 38 174.650 174.668 -0.018 1
1 1357 . 6 2 2 B 38 38 GLN CA C 38 55.550 54.759 0.791 1
1 1358 . 6 2 2 B 38 38 GLN CB C 38 29.190 30.701 -1.511 1
1 1360 . 6 2 2 B 38 38 GLN N N 38 122.270 121.223 1.047 1
1 1 . 7 1 1 A 2 2 THR C C 2 174.280 175.254 -0.974 1
1 2 . 7 1 1 A 2 2 THR CA C 2 61.820 65.854 -4.034 1
1 3 . 7 1 1 A 2 2 THR CB C 2 69.660 68.506 1.154 1
1 4 . 7 1 1 A 3 3 GLN H H 3 8.502 7.544 0.958 1
1 5 . 7 1 1 A 3 3 GLN HA H 3 4.485 4.414 0.071 1
1 9 . 7 1 1 A 3 3 GLN C C 3 175.680 175.748 -0.068 1
1 10 . 7 1 1 A 3 3 GLN CA C 3 55.490 56.824 -1.334 1
1 11 . 7 1 1 A 3 3 GLN CB C 3 28.570 29.029 -0.459 1
1 13 . 7 1 1 A 3 3 GLN N N 3 123.346 123.532 -0.186 1
1 14 . 7 1 1 A 4 4 SER H H 4 8.586 8.553 0.033 1
1 15 . 7 1 1 A 4 4 SER HA H 4 4.860 4.879 -0.019 1
1 18 . 7 1 1 A 4 4 SER C C 4 173.240 174.514 -1.274 1
1 19 . 7 1 1 A 4 4 SER CA C 4 56.280 55.630 0.650 1
1 20 . 7 1 1 A 4 4 SER CB C 4 63.080 65.089 -2.009 1
1 21 . 7 1 1 A 4 4 SER N N 4 119.430 121.482 -2.052 1
1 22 . 7 1 1 A 5 5 PRO HA H 5 4.490 4.235 0.255 1
1 29 . 7 1 1 A 5 5 PRO C C 5 178.020 179.224 -1.204 1
1 30 . 7 1 1 A 5 5 PRO CA C 5 63.740 65.521 -1.781 1
1 31 . 7 1 1 A 5 5 PRO CB C 5 30.120 31.481 -1.361 1
1 34 . 7 1 1 A 6 6 GLY H H 6 8.420 8.444 -0.024 1
1 35 . 7 1 1 A 6 6 GLY HA3 H 6 3.980 3.860 0.120 1
1 36 . 7 1 1 A 6 6 GLY C C 6 174.600 175.904 -1.304 1
1 37 . 7 1 1 A 6 6 GLY CA C 6 45.580 46.794 -1.214 1
1 38 . 7 1 1 A 6 6 GLY N N 6 108.250 105.509 2.741 1
1 39 . 7 1 1 A 7 7 ASP H H 7 8.080 8.109 -0.029 1
1 40 . 7 1 1 A 7 7 ASP HA H 7 4.660 4.442 0.218 1
1 42 . 7 1 1 A 7 7 ASP C C 7 177.440 178.485 -1.045 1
1 43 . 7 1 1 A 7 7 ASP CA C 7 54.960 55.908 -0.948 1
1 44 . 7 1 1 A 7 7 ASP CB C 7 40.740 40.422 0.318 1
1 45 . 7 1 1 A 7 7 ASP N N 7 121.210 121.070 0.140 1
1 46 . 7 1 1 A 8 8 SER H H 8 8.363 8.231 0.132 1
1 47 . 7 1 1 A 8 8 SER HA H 8 4.330 4.207 0.123 1
1 49 . 7 1 1 A 8 8 SER C C 8 177.520 177.260 0.260 1
1 50 . 7 1 1 A 8 8 SER CA C 8 59.990 61.226 -1.236 1
1 51 . 7 1 1 A 8 8 SER CB C 8 62.540 63.055 -0.515 1
1 52 . 7 1 1 A 8 8 SER N N 8 117.020 115.548 1.472 1
1 53 . 7 1 1 A 9 9 ARG H H 9 8.270 8.516 -0.246 1
1 54 . 7 1 1 A 9 9 ARG HA H 9 4.820 4.189 0.631 1
1 59 . 7 1 1 A 9 9 ARG C C 9 177.800 178.940 -1.140 1
1 60 . 7 1 1 A 9 9 ARG CA C 9 58.170 58.963 -0.793 1
1 61 . 7 1 1 A 9 9 ARG CB C 9 29.490 29.863 -0.373 1
1 64 . 7 1 1 A 9 9 ARG N N 9 123.050 121.894 1.156 1
1 65 . 7 1 1 A 10 10 ARG H H 10 8.030 7.380 0.650 1
1 66 . 7 1 1 A 10 10 ARG HA H 10 4.100 4.055 0.045 1
1 73 . 7 1 1 A 10 10 ARG C C 10 177.900 178.581 -0.681 1
1 74 . 7 1 1 A 10 10 ARG CA C 10 57.100 58.917 -1.817 1
1 75 . 7 1 1 A 10 10 ARG CB C 10 29.490 29.918 -0.428 1
1 78 . 7 1 1 A 10 10 ARG N N 10 119.730 118.911 0.819 1
1 79 . 7 1 1 A 11 11 LEU H H 11 8.100 8.601 -0.501 1
1 80 . 7 1 1 A 11 11 LEU HA H 11 4.220 4.098 0.122 1
1 87 . 7 1 1 A 11 11 LEU C C 11 178.600 179.171 -0.571 1
1 88 . 7 1 1 A 11 11 LEU CA C 11 57.100 56.941 0.159 1
1 89 . 7 1 1 A 11 11 LEU CB C 11 41.270 41.823 -0.553 1
1 92 . 7 1 1 A 11 11 LEU N N 11 120.770 120.540 0.230 1
1 93 . 7 1 1 A 12 12 SER H H 12 8.052 8.492 -0.440 1
1 94 . 7 1 1 A 12 12 SER HA H 12 4.250 4.154 0.096 1
1 97 . 7 1 1 A 12 12 SER C C 12 178.790 176.492 2.298 1
1 98 . 7 1 1 A 12 12 SER CA C 12 60.960 61.501 -0.541 1
1 99 . 7 1 1 A 12 12 SER CB C 12 62.580 62.925 -0.345 1
1 100 . 7 1 1 A 12 12 SER N N 12 115.760 114.398 1.362 1
1 101 . 7 1 1 A 13 13 ILE H H 13 8.000 7.697 0.303 1
1 102 . 7 1 1 A 13 13 ILE HA H 13 3.730 3.850 -0.120 1
1 112 . 7 1 1 A 13 13 ILE C C 13 179.740 178.045 1.695 1
1 113 . 7 1 1 A 13 13 ILE CA C 13 64.920 64.403 0.517 1
1 114 . 7 1 1 A 13 13 ILE CB C 13 37.200 37.160 0.040 1
1 118 . 7 1 1 A 13 13 ILE N N 13 123.290 118.761 4.529 1
1 119 . 7 1 1 A 14 14 GLN H H 14 8.110 8.017 0.093 1
1 120 . 7 1 1 A 14 14 GLN HA H 14 4.030 3.921 0.109 1
1 124 . 7 1 1 A 14 14 GLN C C 14 178.850 178.645 0.205 1
1 125 . 7 1 1 A 14 14 GLN CA C 14 59.170 59.243 -0.073 1
1 126 . 7 1 1 A 14 14 GLN CB C 14 27.810 28.250 -0.440 1
1 128 . 7 1 1 A 14 14 GLN N N 14 119.020 121.019 -1.999 1
1 129 . 7 1 1 A 15 15 ARG H H 15 8.360 7.809 0.551 1
1 130 . 7 1 1 A 15 15 ARG HA H 15 3.980 3.996 -0.016 1
1 137 . 7 1 1 A 15 15 ARG C C 15 177.020 178.792 -1.772 1
1 138 . 7 1 1 A 15 15 ARG CA C 15 59.030 59.071 -0.041 1
1 139 . 7 1 1 A 15 15 ARG CB C 15 29.460 30.111 -0.651 1
1 142 . 7 1 1 A 15 15 ARG N N 15 118.820 119.355 -0.535 1
1 143 . 7 1 1 A 16 16 ALA H H 16 8.000 7.705 0.295 1
1 144 . 7 1 1 A 16 16 ALA HA H 16 4.230 4.071 0.159 1
1 148 . 7 1 1 A 16 16 ALA C C 16 179.750 180.004 -0.254 1
1 149 . 7 1 1 A 16 16 ALA CA C 16 55.190 54.998 0.192 1
1 150 . 7 1 1 A 16 16 ALA CB C 16 18.020 18.310 -0.290 1
1 151 . 7 1 1 A 16 16 ALA N N 16 123.800 121.666 2.134 1
1 152 . 7 1 1 A 17 17 ILE H H 17 8.490 9.027 -0.537 1
1 153 . 7 1 1 A 17 17 ILE HA H 17 3.760 3.562 0.198 1
1 163 . 7 1 1 A 17 17 ILE C C 17 178.300 177.976 0.324 1
1 164 . 7 1 1 A 17 17 ILE CA C 17 64.710 65.577 -0.867 1
1 165 . 7 1 1 A 17 17 ILE CB C 17 36.560 37.410 -0.850 1
1 169 . 7 1 1 A 17 17 ILE N N 17 118.260 118.929 -0.669 1
1 170 . 7 1 1 A 18 18 GLN H H 18 8.230 9.057 -0.827 1
1 171 . 7 1 1 A 18 18 GLN HA H 18 4.110 3.963 0.147 1
1 175 . 7 1 1 A 18 18 GLN C C 18 178.950 178.032 0.918 1
1 176 . 7 1 1 A 18 18 GLN CA C 18 59.030 58.935 0.095 1
1 177 . 7 1 1 A 18 18 GLN CB C 18 27.540 28.151 -0.611 1
1 179 . 7 1 1 A 18 18 GLN N N 18 118.800 118.529 0.271 1
1 180 . 7 1 1 A 19 19 SER H H 19 8.230 7.664 0.566 1
1 181 . 7 1 1 A 19 19 SER HA H 19 4.430 4.507 -0.077 1
1 184 . 7 1 1 A 19 19 SER C C 19 176.120 176.899 -0.779 1
1 185 . 7 1 1 A 19 19 SER CA C 19 61.600 61.202 0.398 1
1 186 . 7 1 1 A 19 19 SER CB C 19 62.580 63.014 -0.434 1
1 187 . 7 1 1 A 19 19 SER N N 19 116.040 115.347 0.693 1
1 188 . 7 1 1 A 20 20 LEU H H 20 8.250 9.345 -1.095 1
1 189 . 7 1 1 A 20 20 LEU HA H 20 4.090 4.059 0.031 1
1 199 . 7 1 1 A 20 20 LEU C C 20 177.180 178.645 -1.465 1
1 200 . 7 1 1 A 20 20 LEU CA C 20 58.390 58.059 0.331 1
1 201 . 7 1 1 A 20 20 LEU CB C 20 41.810 41.829 -0.019 1
1 205 . 7 1 1 A 20 20 LEU N N 20 125.460 123.342 2.118 1
1 206 . 7 1 1 A 21 21 VAL H H 21 8.520 9.043 -0.523 1
1 207 . 7 1 1 A 21 21 VAL HA H 21 3.340 3.531 -0.191 1
1 212 . 7 1 1 A 21 21 VAL C C 21 178.430 178.205 0.225 1
1 213 . 7 1 1 A 21 21 VAL CA C 21 66.510 66.513 -0.003 1
1 214 . 7 1 1 A 21 21 VAL CB C 21 31.270 31.488 -0.218 1
1 217 . 7 1 1 A 21 21 VAL N N 21 118.590 118.993 -0.403 1
1 218 . 7 1 1 A 22 22 HIS H H 22 7.950 7.898 0.052 1
1 219 . 7 1 1 A 22 22 HIS HA H 22 4.260 4.212 0.048 1
1 222 . 7 1 1 A 22 22 HIS C C 22 178.020 177.103 0.917 1
1 223 . 7 1 1 A 22 22 HIS CA C 22 59.770 59.810 -0.040 1
1 224 . 7 1 1 A 22 22 HIS CB C 22 27.230 29.794 -2.564 1
1 225 . 7 1 1 A 22 22 HIS N N 22 115.760 119.210 -3.450 1
1 226 . 7 1 1 A 23 23 ALA H H 23 8.580 9.508 -0.928 1
1 227 . 7 1 1 A 23 23 ALA HA H 23 4.190 3.901 0.289 1
1 231 . 7 1 1 A 23 23 ALA C C 23 179.210 179.038 0.172 1
1 232 . 7 1 1 A 23 23 ALA CA C 23 54.420 54.833 -0.413 1
1 233 . 7 1 1 A 23 23 ALA CB C 23 19.010 17.892 1.118 1
1 234 . 7 1 1 A 23 23 ALA N N 23 121.190 120.792 0.398 1
1 235 . 7 1 1 A 24 24 ALA H H 24 8.240 7.930 0.310 1
1 236 . 7 1 1 A 24 24 ALA HA H 24 4.110 4.101 0.009 1
1 240 . 7 1 1 A 24 24 ALA C C 24 177.610 177.942 -0.332 1
1 241 . 7 1 1 A 24 24 ALA CA C 24 53.540 52.987 0.553 1
1 242 . 7 1 1 A 24 24 ALA CB C 24 18.060 18.892 -0.832 1
1 243 . 7 1 1 A 24 24 ALA N N 24 116.530 119.025 -2.495 1
1 244 . 7 1 1 A 25 25 GLN H H 25 7.230 7.776 -0.546 1
1 245 . 7 1 1 A 25 25 GLN HA H 25 4.540 4.428 0.112 1
1 250 . 7 1 1 A 25 25 GLN C C 25 174.530 176.270 -1.740 1
1 251 . 7 1 1 A 25 25 GLN CA C 25 54.400 56.150 -1.750 1
1 252 . 7 1 1 A 25 25 GLN CB C 25 30.090 31.019 -0.929 1
1 254 . 7 1 1 A 25 25 GLN N N 25 112.050 114.711 -2.661 1
1 255 . 7 1 1 A 26 26 CYS H H 26 7.320 8.523 -1.203 1
1 256 . 7 1 1 A 26 26 CYS HA H 26 3.920 4.421 -0.501 1
1 259 . 7 1 1 A 26 26 CYS C C 26 176.230 174.385 1.845 1
1 260 . 7 1 1 A 26 26 CYS CA C 26 60.480 57.560 2.920 1
1 261 . 7 1 1 A 26 26 CYS CB C 26 28.470 26.697 1.773 1
1 262 . 7 1 1 A 26 26 CYS N N 26 124.310 119.163 5.147 1
1 263 . 7 1 1 A 27 27 ARG H H 27 8.840 8.636 0.204 1
1 264 . 7 1 1 A 27 27 ARG HA H 27 4.650 4.368 0.282 1
1 271 . 7 1 1 A 27 27 ARG C C 27 175.270 176.228 -0.958 1
1 272 . 7 1 1 A 27 27 ARG CA C 27 54.320 55.078 -0.758 1
1 273 . 7 1 1 A 27 27 ARG CB C 27 29.490 28.622 0.868 1
1 276 . 7 1 1 A 27 27 ARG N N 27 129.620 128.175 1.445 1
1 277 . 7 1 1 A 28 28 ASN H H 28 7.930 7.730 0.200 1
1 278 . 7 1 1 A 28 28 ASN HA H 28 4.890 4.417 0.473 1
1 281 . 7 1 1 A 28 28 ASN C C 28 175.240 175.124 0.116 1
1 282 . 7 1 1 A 28 28 ASN CA C 28 51.540 56.257 -4.717 1
1 283 . 7 1 1 A 28 28 ASN CB C 28 38.460 39.211 -0.751 1
1 284 . 7 1 1 A 28 28 ASN N N 28 120.580 122.609 -2.029 1
1 285 . 7 1 1 A 29 29 ALA H H 29 9.100 7.891 1.209 1
1 286 . 7 1 1 A 29 29 ALA HA H 29 4.120 3.966 0.154 1
1 290 . 7 1 1 A 29 29 ALA C C 29 178.010 177.389 0.621 1
1 291 . 7 1 1 A 29 29 ALA CA C 29 54.040 55.115 -1.075 1
1 292 . 7 1 1 A 29 29 ALA CB C 29 18.020 16.942 1.078 1
1 293 . 7 1 1 A 29 29 ALA N N 29 130.290 120.630 9.660 1
1 294 . 7 1 1 A 30 30 ASN H H 30 8.080 8.226 -0.146 1
1 295 . 7 1 1 A 30 30 ASN HA H 30 4.900 4.893 0.007 1
1 298 . 7 1 1 A 30 30 ASN C C 30 174.150 174.889 -0.739 1
1 299 . 7 1 1 A 30 30 ASN CA C 30 51.490 53.401 -1.911 1
1 300 . 7 1 1 A 30 30 ASN CB C 30 38.200 38.981 -0.781 1
1 301 . 7 1 1 A 30 30 ASN N N 30 114.290 115.143 -0.853 1
1 302 . 7 1 1 A 31 31 CYS H H 31 7.170 7.395 -0.225 1
1 303 . 7 1 1 A 31 31 CYS HA H 31 4.079 4.307 -0.228 1
1 306 . 7 1 1 A 31 31 CYS C C 31 176.800 176.356 0.444 1
1 307 . 7 1 1 A 31 31 CYS CA C 31 61.430 59.969 1.461 1
1 308 . 7 1 1 A 31 31 CYS CB C 31 29.428 28.471 0.957 1
1 309 . 7 1 1 A 31 31 CYS N N 31 123.080 120.879 2.201 1
1 310 . 7 1 1 A 32 32 SER H H 32 8.740 8.875 -0.135 1
1 311 . 7 1 1 A 32 32 SER HA H 32 4.150 4.517 -0.367 1
1 314 . 7 1 1 A 32 32 SER C C 32 174.850 174.163 0.687 1
1 315 . 7 1 1 A 32 32 SER CA C 32 57.570 58.596 -1.026 1
1 316 . 7 1 1 A 32 32 SER CB C 32 63.540 63.805 -0.265 1
1 317 . 7 1 1 A 32 32 SER N N 32 124.210 120.733 3.477 1
1 318 . 7 1 1 A 33 33 LEU H H 33 8.520 7.193 1.327 1
1 319 . 7 1 1 A 33 33 LEU HA H 33 4.570 4.608 -0.038 1
1 329 . 7 1 1 A 33 33 LEU C C 33 176.850 175.947 0.903 1
1 330 . 7 1 1 A 33 33 LEU CA C 33 54.080 51.209 2.871 1
1 331 . 7 1 1 A 33 33 LEU CB C 33 40.420 41.621 -1.201 1
1 335 . 7 1 1 A 33 33 LEU N N 33 128.730 124.403 4.327 1
1 336 . 7 1 1 A 34 34 PRO HA H 34 4.360 4.329 0.031 1
1 343 . 7 1 1 A 34 34 PRO C C 34 178.380 178.171 0.209 1
1 344 . 7 1 1 A 34 34 PRO CA C 34 64.970 65.095 -0.125 1
1 345 . 7 1 1 A 34 34 PRO CB C 34 31.230 31.993 -0.763 1
1 348 . 7 1 1 A 35 35 SER H H 35 8.300 8.485 -0.185 1
1 349 . 7 1 1 A 35 35 SER HA H 35 4.320 4.236 0.084 1
1 352 . 7 1 1 A 35 35 SER C C 35 178.350 176.538 1.812 1
1 353 . 7 1 1 A 35 35 SER CA C 35 59.953 61.347 -1.394 1
1 354 . 7 1 1 A 35 35 SER CB C 35 62.470 62.830 -0.360 1
1 355 . 7 1 1 A 35 35 SER N N 35 111.680 113.411 -1.731 1
1 356 . 7 1 1 A 36 36 CYS H H 36 7.500 8.862 -1.362 1
1 357 . 7 1 1 A 36 36 CYS HA H 36 4.242 4.138 0.104 1
1 360 . 7 1 1 A 36 36 CYS C C 36 176.630 177.116 -0.486 1
1 361 . 7 1 1 A 36 36 CYS CA C 36 63.710 63.625 0.085 1
1 362 . 7 1 1 A 36 36 CYS CB C 36 29.170 27.506 1.664 1
1 363 . 7 1 1 A 36 36 CYS N N 36 125.580 120.081 5.499 1
1 364 . 7 1 1 A 37 37 GLN H H 37 8.170 7.817 0.353 1
1 365 . 7 1 1 A 37 37 GLN HA H 37 4.010 3.994 0.016 1
1 369 . 7 1 1 A 37 37 GLN C C 37 178.900 177.874 1.026 1
1 370 . 7 1 1 A 37 37 GLN CA C 37 59.580 58.689 0.891 1
1 371 . 7 1 1 A 37 37 GLN CB C 37 27.560 28.421 -0.861 1
1 373 . 7 1 1 A 37 37 GLN N N 37 116.020 120.039 -4.019 1
1 374 . 7 1 1 A 38 38 LYS H H 38 7.840 7.705 0.135 1
1 375 . 7 1 1 A 38 38 LYS HA H 38 4.079 4.148 -0.069 1
1 381 . 7 1 1 A 38 38 LYS C C 38 179.300 179.577 -0.277 1
1 382 . 7 1 1 A 38 38 LYS CA C 38 59.280 59.158 0.122 1
1 383 . 7 1 1 A 38 38 LYS CB C 38 32.120 31.994 0.126 1
1 387 . 7 1 1 A 38 38 LYS N N 38 117.000 120.031 -3.031 1
1 388 . 7 1 1 A 39 39 MET H H 39 8.270 8.292 -0.022 1
1 389 . 7 1 1 A 39 39 MET HA H 39 4.580 4.238 0.342 1
1 394 . 7 1 1 A 39 39 MET C C 39 179.710 178.922 0.788 1
1 395 . 7 1 1 A 39 39 MET CA C 39 56.330 58.706 -2.376 1
1 396 . 7 1 1 A 39 39 MET CB C 39 31.180 31.623 -0.443 1
1 398 . 7 1 1 A 39 39 MET N N 39 118.020 117.877 0.143 1
1 399 . 7 1 1 A 40 40 LYS H H 40 9.530 8.732 0.798 1
1 400 . 7 1 1 A 40 40 LYS HA H 40 3.860 4.027 -0.167 1
1 406 . 7 1 1 A 40 40 LYS C C 40 179.620 179.191 0.429 1
1 407 . 7 1 1 A 40 40 LYS CA C 40 61.360 59.979 1.381 1
1 408 . 7 1 1 A 40 40 LYS CB C 40 32.120 32.175 -0.055 1
1 412 . 7 1 1 A 40 40 LYS N N 40 122.280 119.316 2.964 1
1 413 . 7 1 1 A 41 41 ARG H H 41 7.560 7.681 -0.121 1
1 414 . 7 1 1 A 41 41 ARG HA H 41 4.200 4.137 0.063 1
1 421 . 7 1 1 A 41 41 ARG C C 41 179.650 178.892 0.758 1
1 422 . 7 1 1 A 41 41 ARG CA C 41 59.350 58.797 0.553 1
1 423 . 7 1 1 A 41 41 ARG CB C 41 29.300 29.852 -0.552 1
1 426 . 7 1 1 A 41 41 ARG N N 41 117.590 119.913 -2.323 1
1 427 . 7 1 1 A 42 42 VAL H H 42 7.570 7.600 -0.030 1
1 428 . 7 1 1 A 42 42 VAL HA H 42 3.670 3.746 -0.076 1
1 436 . 7 1 1 A 42 42 VAL C C 42 177.480 178.740 -1.260 1
1 437 . 7 1 1 A 42 42 VAL CA C 42 66.420 66.228 0.192 1
1 438 . 7 1 1 A 42 42 VAL CB C 42 30.700 31.690 -0.990 1
1 441 . 7 1 1 A 42 42 VAL N N 42 121.450 119.508 1.942 1
1 442 . 7 1 1 A 43 43 VAL H H 43 8.450 8.820 -0.370 1
1 443 . 7 1 1 A 43 43 VAL HA H 43 3.540 3.640 -0.100 1
1 448 . 7 1 1 A 43 43 VAL C C 43 178.950 178.103 0.847 1
1 449 . 7 1 1 A 43 43 VAL CA C 43 66.940 66.611 0.329 1
1 450 . 7 1 1 A 43 43 VAL CB C 43 31.090 31.772 -0.682 1
1 452 . 7 1 1 A 43 43 VAL N N 43 120.380 120.774 -0.394 1
1 453 . 7 1 1 A 44 44 GLN H H 44 8.400 9.402 -1.002 1
1 454 . 7 1 1 A 44 44 GLN HA H 44 4.020 3.998 0.022 1
1 457 . 7 1 1 A 44 44 GLN C C 44 177.240 178.556 -1.316 1
1 458 . 7 1 1 A 44 44 GLN CA C 44 58.550 58.825 -0.275 1
1 459 . 7 1 1 A 44 44 GLN CB C 44 27.550 28.176 -0.626 1
1 461 . 7 1 1 A 44 44 GLN N N 44 119.280 117.938 1.342 1
1 462 . 7 1 1 A 45 45 HIS H H 45 8.070 8.043 0.027 1
1 463 . 7 1 1 A 45 45 HIS HA H 45 4.280 4.257 0.023 1
1 465 . 7 1 1 A 45 45 HIS C C 45 177.800 177.074 0.726 1
1 466 . 7 1 1 A 45 45 HIS CA C 45 59.440 59.213 0.227 1
1 467 . 7 1 1 A 45 45 HIS CB C 45 26.760 29.943 -3.183 1
1 468 . 7 1 1 A 45 45 HIS N N 45 119.000 121.380 -2.380 1
1 469 . 7 1 1 A 46 46 THR H H 46 7.800 8.227 -0.427 1
1 470 . 7 1 1 A 46 46 THR HA H 46 3.870 3.504 0.366 1
1 475 . 7 1 1 A 46 46 THR C C 46 175.850 176.493 -0.643 1
1 476 . 7 1 1 A 46 46 THR CA C 46 65.410 67.109 -1.699 1
1 477 . 7 1 1 A 46 46 THR CB C 46 68.850 68.402 0.448 1
1 479 . 7 1 1 A 46 46 THR N N 46 110.300 115.330 -5.030 1
1 480 . 7 1 1 A 47 47 LYS H H 47 7.310 8.098 -0.788 1
1 481 . 7 1 1 A 47 47 LYS HA H 47 4.100 4.091 0.009 1
1 488 . 7 1 1 A 47 47 LYS C C 47 177.640 180.017 -2.377 1
1 489 . 7 1 1 A 47 47 LYS CA C 47 58.310 59.363 -1.053 1
1 490 . 7 1 1 A 47 47 LYS CB C 47 31.420 32.192 -0.772 1
1 494 . 7 1 1 A 47 47 LYS N N 47 120.240 119.345 0.895 1
1 495 . 7 1 1 A 48 48 GLY H H 48 7.159 7.528 -0.369 1
1 496 . 7 1 1 A 48 48 GLY HA2 H 48 4.410 4.000 0.410 1
1 497 . 7 1 1 A 48 48 GLY HA3 H 48 3.680 4.016 -0.336 1
1 498 . 7 1 1 A 48 48 GLY C C 48 173.850 174.231 -0.381 1
1 499 . 7 1 1 A 48 48 GLY CA C 48 44.433 46.691 -2.258 1
1 500 . 7 1 1 A 48 48 GLY N N 48 103.360 107.004 -3.644 1
1 501 . 7 1 1 A 49 49 CYS H H 49 6.910 7.435 -0.525 1
1 502 . 7 1 1 A 49 49 CYS HA H 49 4.020 4.594 -0.574 1
1 505 . 7 1 1 A 49 49 CYS C C 49 176.710 174.859 1.851 1
1 506 . 7 1 1 A 49 49 CYS CA C 49 60.620 57.244 3.376 1
1 507 . 7 1 1 A 49 49 CYS CB C 49 29.260 29.475 -0.215 1
1 508 . 7 1 1 A 49 49 CYS N N 49 123.280 120.138 3.142 1
1 509 . 7 1 1 A 50 50 LYS H H 50 8.960 8.967 -0.007 1
1 510 . 7 1 1 A 50 50 LYS HA H 50 3.980 4.136 -0.156 1
1 519 . 7 1 1 A 50 50 LYS C C 50 177.580 178.880 -1.300 1
1 520 . 7 1 1 A 50 50 LYS CA C 50 56.280 58.686 -2.406 1
1 521 . 7 1 1 A 50 50 LYS CB C 50 32.150 32.620 -0.470 1
1 525 . 7 1 1 A 50 50 LYS N N 50 128.200 127.675 0.525 1
1 526 . 7 1 1 A 51 51 ARG H H 51 8.530 8.003 0.527 1
1 527 . 7 1 1 A 51 51 ARG HA H 51 4.460 4.041 0.419 1
1 533 . 7 1 1 A 51 51 ARG C C 51 176.700 178.796 -2.096 1
1 534 . 7 1 1 A 51 51 ARG CA C 51 57.203 59.268 -2.065 1
1 535 . 7 1 1 A 51 51 ARG CB C 51 30.969 29.838 1.131 1
1 538 . 7 1 1 A 51 51 ARG N N 51 122.350 120.786 1.564 1
1 539 . 7 1 1 A 52 52 LYS H H 52 8.420 7.380 1.040 1
1 540 . 7 1 1 A 52 52 LYS HA H 52 4.470 4.165 0.305 1
1 549 . 7 1 1 A 52 52 LYS C C 52 177.300 179.240 -1.940 1
1 550 . 7 1 1 A 52 52 LYS CA C 52 57.600 58.757 -1.157 1
1 551 . 7 1 1 A 52 52 LYS CB C 52 31.627 31.910 -0.283 1
1 555 . 7 1 1 A 52 52 LYS N N 52 118.820 119.366 -0.546 1
1 556 . 7 1 1 A 53 53 THR H H 53 7.760 7.664 0.096 1
1 557 . 7 1 1 A 53 53 THR HA H 53 4.230 4.021 0.209 1
1 562 . 7 1 1 A 53 53 THR C C 53 175.700 175.362 0.338 1
1 563 . 7 1 1 A 53 53 THR CA C 53 63.390 65.861 -2.471 1
1 564 . 7 1 1 A 53 53 THR CB C 53 68.220 68.514 -0.294 1
1 566 . 7 1 1 A 53 53 THR N N 53 112.860 117.863 -5.003 1
1 567 . 7 1 1 A 54 54 ASN H H 54 8.260 7.504 0.756 1
1 568 . 7 1 1 A 54 54 ASN HA H 54 4.110 4.816 -0.706 1
1 570 . 7 1 1 A 54 54 ASN C C 54 175.970 175.368 0.602 1
1 571 . 7 1 1 A 54 54 ASN CA C 54 53.300 53.103 0.197 1
1 572 . 7 1 1 A 54 54 ASN CB C 54 37.810 39.006 -1.196 1
1 573 . 7 1 1 A 54 54 ASN N N 54 119.690 117.325 2.365 1
1 574 . 7 1 1 A 55 55 GLY H H 55 7.960 8.302 -0.342 1
1 575 . 7 1 1 A 55 55 GLY HA2 H 55 4.010 3.939 0.071 1
1 576 . 7 1 1 A 55 55 GLY HA3 H 55 4.010 3.954 0.056 1
1 577 . 7 1 1 A 55 55 GLY C C 55 175.270 175.919 -0.649 1
1 578 . 7 1 1 A 55 55 GLY CA C 55 45.610 45.426 0.184 1
1 579 . 7 1 1 A 55 55 GLY N N 55 107.340 106.959 0.381 1
1 580 . 7 1 1 A 56 56 GLY H H 56 7.820 7.619 0.201 1
1 581 . 7 1 1 A 56 56 GLY HA2 H 56 3.970 3.895 0.075 1
1 582 . 7 1 1 A 56 56 GLY HA3 H 56 3.970 3.896 0.074 1
1 583 . 7 1 1 A 56 56 GLY C C 56 173.320 174.523 -1.203 1
1 584 . 7 1 1 A 56 56 GLY CA C 56 45.350 47.336 -1.986 1
1 585 . 7 1 1 A 56 56 GLY N N 56 107.080 107.586 -0.506 1
1 586 . 7 1 1 A 57 57 CYS H H 57 8.010 7.759 0.251 1
1 587 . 7 1 1 A 57 57 CYS HA H 57 4.870 4.701 0.169 1
1 590 . 7 1 1 A 57 57 CYS C C 57 175.610 174.636 0.974 1
1 591 . 7 1 1 A 57 57 CYS CA C 57 55.340 56.665 -1.325 1
1 592 . 7 1 1 A 57 57 CYS CB C 57 30.160 28.991 1.169 1
1 593 . 7 1 1 A 57 57 CYS N N 57 122.570 118.639 3.931 1
1 594 . 7 1 1 A 58 58 PRO HA H 58 4.320 4.290 0.030 1
1 601 . 7 1 1 A 58 58 PRO CA C 58 64.550 65.291 -0.741 1
1 602 . 7 1 1 A 58 58 PRO CB C 58 32.050 31.901 0.149 1
1 605 . 7 1 1 A 59 59 ILE H H 59 7.917 7.139 0.778 1
1 606 . 7 1 1 A 59 59 ILE HA H 59 3.550 3.855 -0.305 1
1 616 . 7 1 1 A 59 59 ILE C C 59 178.040 178.054 -0.014 1
1 617 . 7 1 1 A 59 59 ILE CA C 59 64.540 64.393 0.147 1
1 618 . 7 1 1 A 59 59 ILE CB C 59 38.160 38.046 0.114 1
1 622 . 7 1 1 A 59 59 ILE N N 59 120.680 116.711 3.969 1
1 623 . 7 1 1 A 60 60 CYS H H 60 8.920 8.206 0.714 1
1 624 . 7 1 1 A 60 60 CYS HA H 60 4.105 4.051 0.054 1
1 627 . 7 1 1 A 60 60 CYS C C 60 177.540 177.172 0.368 1
1 628 . 7 1 1 A 60 60 CYS CA C 60 66.000 62.996 3.004 1
1 629 . 7 1 1 A 60 60 CYS CB C 60 28.750 27.553 1.197 1
1 630 . 7 1 1 A 60 60 CYS N N 60 123.890 118.949 4.941 1
1 631 . 7 1 1 A 61 61 LYS H H 61 8.100 8.804 -0.704 1
1 632 . 7 1 1 A 61 61 LYS HA H 61 3.920 3.879 0.041 1
1 639 . 7 1 1 A 61 61 LYS C C 61 179.030 179.006 0.024 1
1 640 . 7 1 1 A 61 61 LYS CA C 61 59.610 59.673 -0.063 1
1 641 . 7 1 1 A 61 61 LYS CB C 61 32.040 32.544 -0.504 1
1 645 . 7 1 1 A 61 61 LYS N N 61 117.130 121.562 -4.432 1
1 646 . 7 1 1 A 62 62 GLN H H 62 7.010 8.230 -1.220 1
1 647 . 7 1 1 A 62 62 GLN HA H 62 4.150 4.057 0.093 1
1 652 . 7 1 1 A 62 62 GLN C C 62 178.340 178.555 -0.215 1
1 653 . 7 1 1 A 62 62 GLN CA C 62 58.520 58.493 0.027 1
1 654 . 7 1 1 A 62 62 GLN CB C 62 27.587 28.442 -0.855 1
1 656 . 7 1 1 A 62 62 GLN N N 62 117.000 118.711 -1.711 1
1 657 . 7 1 1 A 63 63 LEU H H 63 7.980 7.888 0.092 1
1 658 . 7 1 1 A 63 63 LEU HA H 63 4.160 4.016 0.144 1
1 667 . 7 1 1 A 63 63 LEU C C 63 179.060 178.047 1.013 1
1 668 . 7 1 1 A 63 63 LEU CA C 63 57.830 58.132 -0.302 1
1 669 . 7 1 1 A 63 63 LEU CB C 63 41.270 41.209 0.061 1
1 673 . 7 1 1 A 63 63 LEU N N 63 119.730 121.568 -1.838 1
1 674 . 7 1 1 A 64 64 ILE H H 64 8.481 8.679 -0.198 1
1 675 . 7 1 1 A 64 64 ILE HA H 64 3.650 3.300 0.350 1
1 685 . 7 1 1 A 64 64 ILE C C 64 179.930 178.031 1.899 1
1 686 . 7 1 1 A 64 64 ILE CA C 64 65.220 65.777 -0.557 1
1 687 . 7 1 1 A 64 64 ILE CB C 64 36.960 37.739 -0.779 1
1 691 . 7 1 1 A 64 64 ILE N N 64 120.350 119.612 0.738 1
1 692 . 7 1 1 A 65 65 ALA H H 65 7.300 7.762 -0.462 1
1 693 . 7 1 1 A 65 65 ALA HA H 65 4.200 4.020 0.180 1
1 697 . 7 1 1 A 65 65 ALA C C 65 180.010 180.170 -0.160 1
1 698 . 7 1 1 A 65 65 ALA CA C 65 54.940 55.358 -0.418 1
1 699 . 7 1 1 A 65 65 ALA CB C 65 18.010 18.310 -0.300 1
1 700 . 7 1 1 A 65 65 ALA N N 65 122.510 123.253 -0.743 1
1 701 . 7 1 1 A 66 66 LEU H H 66 8.120 8.674 -0.554 1
1 702 . 7 1 1 A 66 66 LEU HA H 66 4.100 4.294 -0.194 1
1 712 . 7 1 1 A 66 66 LEU C C 66 179.480 178.551 0.929 1
1 713 . 7 1 1 A 66 66 LEU CA C 66 57.540 57.990 -0.450 1
1 714 . 7 1 1 A 66 66 LEU CB C 66 41.940 41.385 0.555 1
1 718 . 7 1 1 A 66 66 LEU N N 66 115.490 120.341 -4.851 1
1 719 . 7 1 1 A 67 67 ALA H H 67 8.840 9.003 -0.163 1
1 720 . 7 1 1 A 67 67 ALA HA H 67 4.000 4.145 -0.145 1
1 724 . 7 1 1 A 67 67 ALA C C 67 179.000 179.552 -0.552 1
1 725 . 7 1 1 A 67 67 ALA CA C 67 55.490 55.340 0.150 1
1 726 . 7 1 1 A 67 67 ALA CB C 67 18.460 18.391 0.069 1
1 727 . 7 1 1 A 67 67 ALA N N 67 121.500 120.735 0.765 1
1 728 . 7 1 1 A 68 68 ALA H H 68 8.500 8.233 0.267 1
1 729 . 7 1 1 A 68 68 ALA HA H 68 4.160 3.983 0.177 1
1 733 . 7 1 1 A 68 68 ALA C C 68 179.070 179.600 -0.530 1
1 734 . 7 1 1 A 68 68 ALA CA C 68 55.290 55.055 0.235 1
1 735 . 7 1 1 A 68 68 ALA CB C 68 17.524 18.994 -1.470 1
1 736 . 7 1 1 A 68 68 ALA N N 68 120.100 119.924 0.176 1
1 737 . 7 1 1 A 69 69 TYR H H 69 7.850 7.893 -0.043 1
1 738 . 7 1 1 A 69 69 TYR HA H 69 4.310 4.358 -0.048 1
1 741 . 7 1 1 A 69 69 TYR CA C 69 56.141 60.914 -4.773 1
1 742 . 7 1 1 A 69 69 TYR CB C 69 37.943 38.194 -0.251 1
1 743 . 7 1 1 A 69 69 TYR N N 69 118.930 115.994 2.936 1
1 744 . 7 1 1 A 70 70 HIS H H 70 7.960 8.032 -0.072 1
1 745 . 7 1 1 A 70 70 HIS HA H 70 4.510 4.317 0.193 1
1 748 . 7 1 1 A 70 70 HIS CA C 70 54.640 60.528 -5.888 1
1 749 . 7 1 1 A 70 70 HIS CB C 70 27.560 29.830 -2.270 1
1 750 . 7 1 1 A 70 70 HIS N N 70 125.790 119.651 6.139 1
1 751 . 7 1 1 A 71 71 ALA H H 71 9.190 9.344 -0.154 1
1 752 . 7 1 1 A 71 71 ALA HA H 71 3.960 3.908 0.052 1
1 756 . 7 1 1 A 71 71 ALA C C 71 179.070 179.786 -0.716 1
1 757 . 7 1 1 A 71 71 ALA CA C 71 54.510 54.880 -0.370 1
1 758 . 7 1 1 A 71 71 ALA CB C 71 19.240 18.187 1.053 1
1 759 . 7 1 1 A 71 71 ALA N N 71 121.760 120.998 0.762 1
1 760 . 7 1 1 A 72 72 LYS H H 72 6.950 7.530 -0.580 1
1 761 . 7 1 1 A 72 72 LYS HA H 72 3.920 4.078 -0.158 1
1 770 . 7 1 1 A 72 72 LYS C C 72 176.750 179.093 -2.343 1
1 771 . 7 1 1 A 72 72 LYS CA C 72 57.690 58.915 -1.225 1
1 772 . 7 1 1 A 72 72 LYS CB C 72 31.720 32.719 -0.999 1
1 776 . 7 1 1 A 72 72 LYS N N 72 114.500 117.605 -3.105 1
1 777 . 7 1 1 A 73 73 HIS H H 73 7.140 8.349 -1.209 1
1 778 . 7 1 1 A 73 73 HIS HA H 73 4.830 4.233 0.597 1
1 781 . 7 1 1 A 73 73 HIS C C 73 173.590 175.980 -2.390 1
1 782 . 7 1 1 A 73 73 HIS CA C 73 54.070 59.793 -5.723 1
1 783 . 7 1 1 A 73 73 HIS CB C 73 29.640 29.880 -0.240 1
1 784 . 7 1 1 A 73 73 HIS N N 73 113.180 119.427 -6.247 1
1 785 . 7 1 1 A 74 74 CYS H H 74 7.020 8.034 -1.014 1
1 786 . 7 1 1 A 74 74 CYS HA H 74 4.140 4.189 -0.049 1
1 789 . 7 1 1 A 74 74 CYS C C 74 176.120 175.382 0.738 1
1 790 . 7 1 1 A 74 74 CYS CA C 74 59.829 58.542 1.287 1
1 791 . 7 1 1 A 74 74 CYS CB C 74 29.473 27.596 1.877 1
1 792 . 7 1 1 A 74 74 CYS N N 74 123.590 117.512 6.078 1
1 793 . 7 1 1 A 75 75 GLN H H 75 9.070 8.923 0.147 1
1 794 . 7 1 1 A 75 75 GLN HA H 75 4.705 4.379 0.326 1
1 798 . 7 1 1 A 75 75 GLN C C 75 175.620 175.151 0.469 1
1 799 . 7 1 1 A 75 75 GLN CA C 75 54.290 57.004 -2.714 1
1 800 . 7 1 1 A 75 75 GLN CB C 75 28.760 29.034 -0.274 1
1 802 . 7 1 1 A 75 75 GLN N N 75 128.650 127.933 0.717 1
1 803 . 7 1 1 A 76 76 GLU H H 76 8.260 7.516 0.744 1
1 804 . 7 1 1 A 76 76 GLU HA H 76 4.410 4.862 -0.452 1
1 809 . 7 1 1 A 76 76 GLU C C 76 176.700 175.344 1.356 1
1 810 . 7 1 1 A 76 76 GLU CA C 76 55.510 54.797 0.713 1
1 811 . 7 1 1 A 76 76 GLU CB C 76 29.860 33.153 -3.293 1
1 813 . 7 1 1 A 76 76 GLU N N 76 123.000 119.762 3.238 1
1 814 . 7 1 1 A 77 77 ASN H H 77 8.830 9.054 -0.224 1
1 815 . 7 1 1 A 77 77 ASN HA H 77 4.530 4.734 -0.204 1
1 818 . 7 1 1 A 77 77 ASN C C 77 175.700 175.115 0.585 1
1 819 . 7 1 1 A 77 77 ASN CA C 77 55.030 52.356 2.674 1
1 820 . 7 1 1 A 77 77 ASN CB C 77 38.030 37.202 0.828 1
1 821 . 7 1 1 A 77 77 ASN N N 77 125.100 124.182 0.918 1
1 822 . 7 1 1 A 78 78 LYS H H 78 8.660 8.404 0.256 1
1 823 . 7 1 1 A 78 78 LYS HA H 78 4.440 3.949 0.491 1
1 832 . 7 1 1 A 78 78 LYS C C 78 174.930 176.118 -1.188 1
1 833 . 7 1 1 A 78 78 LYS CA C 78 54.120 59.154 -5.034 1
1 834 . 7 1 1 A 78 78 LYS CB C 78 30.120 32.610 -2.490 1
1 838 . 7 1 1 A 78 78 LYS N N 78 120.580 125.370 -4.790 1
1 839 . 7 1 1 A 79 79 CYS H H 79 7.320 7.810 -0.490 1
1 840 . 7 1 1 A 79 79 CYS HA H 79 4.160 4.492 -0.332 1
1 843 . 7 1 1 A 79 79 CYS C C 79 176.230 174.883 1.347 1
1 844 . 7 1 1 A 79 79 CYS CA C 79 60.480 60.129 0.351 1
1 845 . 7 1 1 A 79 79 CYS CB C 79 28.440 27.743 0.697 1
1 846 . 7 1 1 A 79 79 CYS N N 79 124.350 115.489 8.861 1
1 847 . 7 1 1 A 80 80 PRO HA H 80 4.730 4.323 0.407 1
1 854 . 7 1 1 A 80 80 PRO CA C 80 62.580 65.131 -2.551 1
1 855 . 7 1 1 A 80 80 PRO CB C 80 31.540 31.346 0.194 1
1 858 . 7 1 1 A 81 81 VAL H H 81 9.030 7.807 1.223 1
1 859 . 7 1 1 A 81 81 VAL HA H 81 3.570 4.082 -0.512 1
1 867 . 7 1 1 A 81 81 VAL CA C 81 62.220 60.972 1.248 1
1 868 . 7 1 1 A 81 81 VAL CB C 81 30.990 31.869 -0.879 1
1 871 . 7 1 1 A 81 81 VAL N N 81 127.570 118.723 8.847 1
1 872 . 7 1 1 A 82 82 PRO HA H 82 4.860 4.203 0.657 1
1 879 . 7 1 1 A 82 82 PRO CA C 82 62.860 65.508 -2.648 1
1 880 . 7 1 1 A 82 82 PRO CB C 82 31.550 31.299 0.251 1
1 883 . 7 1 1 A 83 83 PHE H H 83 6.940 6.716 0.224 1
1 884 . 7 1 1 A 83 83 PHE HA H 83 4.460 4.258 0.202 1
1 887 . 7 1 1 A 83 83 PHE C C 83 177.240 178.311 -1.071 1
1 888 . 7 1 1 A 83 83 PHE CA C 83 59.880 60.828 -0.948 1
1 889 . 7 1 1 A 83 83 PHE CB C 83 37.550 38.341 -0.791 1
1 890 . 7 1 1 A 83 83 PHE N N 83 123.530 117.178 6.352 1
1 891 . 7 1 1 A 84 84 CYS H H 84 7.020 8.307 -1.287 1
1 892 . 7 1 1 A 84 84 CYS HA H 84 4.100 4.269 -0.169 1
1 895 . 7 1 1 A 84 84 CYS CA C 84 66.560 62.331 4.229 1
1 896 . 7 1 1 A 84 84 CYS CB C 84 29.770 27.151 2.619 1
1 897 . 7 1 1 A 84 84 CYS N N 84 111.010 118.289 -7.279 1
1 898 . 7 1 1 A 85 85 LEU H H 85 8.190 7.816 0.374 1
1 899 . 7 1 1 A 85 85 LEU HA H 85 4.130 3.908 0.222 1
1 908 . 7 1 1 A 85 85 LEU C C 85 178.700 179.459 -0.759 1
1 909 . 7 1 1 A 85 85 LEU CA C 85 57.450 57.928 -0.478 1
1 910 . 7 1 1 A 85 85 LEU CB C 85 41.720 41.106 0.614 1
1 914 . 7 1 1 A 85 85 LEU N N 85 120.080 121.111 -1.031 1
1 915 . 7 1 1 A 86 86 ASN H H 86 7.740 8.046 -0.306 1
1 916 . 7 1 1 A 86 86 ASN HA H 86 4.530 4.587 -0.057 1
1 919 . 7 1 1 A 86 86 ASN C C 86 177.040 176.718 0.322 1
1 920 . 7 1 1 A 86 86 ASN CA C 86 55.510 56.522 -1.012 1
1 921 . 7 1 1 A 86 86 ASN CB C 86 38.650 38.085 0.565 1
1 922 . 7 1 1 A 86 86 ASN N N 86 115.410 118.506 -3.096 1
1 923 . 7 1 1 A 87 87 ILE H H 87 8.190 7.632 0.558 1
1 924 . 7 1 1 A 87 87 ILE HA H 87 3.960 3.959 0.001 1
1 934 . 7 1 1 A 87 87 ILE C C 87 177.980 178.251 -0.271 1
1 935 . 7 1 1 A 87 87 ILE CA C 87 63.050 63.592 -0.542 1
1 936 . 7 1 1 A 87 87 ILE CB C 87 36.950 38.246 -1.296 1
1 940 . 7 1 1 A 87 87 ILE N N 87 120.100 118.702 1.398 1
1 941 . 7 1 1 A 88 88 LYS H H 88 8.300 9.133 -0.833 1
1 942 . 7 1 1 A 88 88 LYS HA H 88 4.160 3.976 0.184 1
1 949 . 7 1 1 A 88 88 LYS C C 88 179.730 179.118 0.612 1
1 950 . 7 1 1 A 88 88 LYS CA C 88 59.030 59.723 -0.693 1
1 951 . 7 1 1 A 88 88 LYS CB C 88 27.530 32.290 -4.760 1
1 953 . 7 1 1 A 88 88 LYS N N 88 118.760 119.938 -1.178 1
1 954 . 7 1 1 A 89 89 GLN H H 89 8.730 7.838 0.892 1
1 955 . 7 1 1 A 89 89 GLN HA H 89 4.440 4.103 0.337 1
1 958 . 7 1 1 A 89 89 GLN CA C 89 56.350 58.596 -2.246 1
1 959 . 7 1 1 A 89 89 GLN CB C 89 27.750 28.148 -0.398 1
1 961 . 7 1 1 A 89 89 GLN N N 89 122.660 119.838 2.822 1
1 978 . 7 2 2 B 2 2 GLU C C 2 176.270 176.457 -0.187 1
1 979 . 7 2 2 B 2 2 GLU CA C 2 56.070 57.058 -0.988 1
1 980 . 7 2 2 B 2 2 GLU CB C 2 29.100 30.793 -1.693 1
1 981 . 7 2 2 B 3 3 GLU HA H 3 4.650 4.470 0.180 1
1 986 . 7 2 2 B 3 3 GLU C C 3 176.270 176.773 -0.503 1
1 987 . 7 2 2 B 3 3 GLU CA C 3 53.970 57.657 -3.687 1
1 988 . 7 2 2 B 3 3 GLU CB C 3 29.200 32.446 -3.246 1
1 990 . 7 2 2 B 4 4 PRO HA H 4 4.510 4.294 0.216 1
1 997 . 7 2 2 B 4 4 PRO C C 4 181.100 177.046 4.054 1
1 998 . 7 2 2 B 4 4 PRO CA C 4 62.900 64.534 -1.634 1
1 999 . 7 2 2 B 4 4 PRO CB C 4 31.402 31.705 -0.303 1
1 1002 . 7 2 2 B 5 5 GLN H H 5 8.530 7.888 0.642 1
1 1003 . 7 2 2 B 5 5 GLN HA H 5 4.430 3.955 0.475 1
1 1007 . 7 2 2 B 5 5 GLN C C 5 176.100 175.055 1.045 1
1 1008 . 7 2 2 B 5 5 GLN CA C 5 53.450 56.288 -2.838 1
1 1009 . 7 2 2 B 5 5 GLN CB C 5 28.990 26.680 2.310 1
1 1011 . 7 2 2 B 5 5 GLN N N 5 120.510 116.267 4.243 1
1 1012 . 7 2 2 B 6 6 SER H H 6 8.330 7.941 0.389 1
1 1013 . 7 2 2 B 6 6 SER HA H 6 4.500 4.322 0.178 1
1 1015 . 7 2 2 B 6 6 SER C C 6 173.920 174.843 -0.923 1
1 1016 . 7 2 2 B 6 6 SER CA C 6 57.860 58.981 -1.121 1
1 1017 . 7 2 2 B 6 6 SER CB C 6 63.230 63.600 -0.370 1
1 1018 . 7 2 2 B 6 6 SER N N 6 117.080 114.338 2.742 1
1 1019 . 7 2 2 B 7 7 ASP H H 7 8.380 9.082 -0.702 1
1 1020 . 7 2 2 B 7 7 ASP HA H 7 4.960 4.586 0.374 1
1 1023 . 7 2 2 B 7 7 ASP C C 7 174.780 176.461 -1.681 1
1 1024 . 7 2 2 B 7 7 ASP CA C 7 51.960 57.085 -5.125 1
1 1025 . 7 2 2 B 7 7 ASP CB C 7 40.850 41.222 -0.372 1
1 1026 . 7 2 2 B 7 7 ASP N N 7 123.030 128.585 -5.555 1
1 1027 . 7 2 2 B 8 8 PRO HA H 8 4.450 4.321 0.129 1
1 1034 . 7 2 2 B 8 8 PRO C C 8 177.080 178.322 -1.242 1
1 1035 . 7 2 2 B 8 8 PRO CA C 8 63.520 65.692 -2.172 1
1 1036 . 7 2 2 B 8 8 PRO CB C 8 31.612 30.714 0.898 1
1 1039 . 7 2 2 B 9 9 SER H H 9 8.520 8.072 0.448 1
1 1040 . 7 2 2 B 9 9 SER HA H 9 4.450 4.465 -0.015 1
1 1042 . 7 2 2 B 9 9 SER C C 9 174.420 174.474 -0.054 1
1 1043 . 7 2 2 B 9 9 SER CA C 9 58.590 58.541 0.049 1
1 1044 . 7 2 2 B 9 9 SER CB C 9 63.330 64.347 -1.017 1
1 1045 . 7 2 2 B 9 9 SER N N 9 116.010 110.185 5.825 1
1 1046 . 7 2 2 B 10 10 VAL H H 10 7.771 7.612 0.159 1
1 1047 . 7 2 2 B 10 10 VAL HA H 10 4.200 4.095 0.105 1
1 1055 . 7 2 2 B 10 10 VAL C C 10 174.430 174.679 -0.249 1
1 1056 . 7 2 2 B 10 10 VAL CA C 10 61.330 62.034 -0.704 1
1 1057 . 7 2 2 B 10 10 VAL CB C 10 32.340 30.595 1.745 1
1 1060 . 7 2 2 B 10 10 VAL N N 10 121.350 123.376 -2.026 1
1 1061 . 7 2 2 B 11 11 GLU H H 11 8.000 8.563 -0.563 1
1 1062 . 7 2 2 B 11 11 GLU HA H 11 4.660 4.843 -0.183 1
1 1067 . 7 2 2 B 11 11 GLU C C 11 173.740 174.665 -0.925 1
1 1068 . 7 2 2 B 11 11 GLU CA C 11 53.130 53.111 0.019 1
1 1069 . 7 2 2 B 11 11 GLU CB C 11 29.826 30.697 -0.871 1
1 1071 . 7 2 2 B 11 11 GLU N N 11 125.070 126.964 -1.894 1
1 1072 . 7 2 2 B 12 12 PRO HA H 12 4.520 4.417 0.103 1
1 1079 . 7 2 2 B 12 12 PRO CA C 12 63.570 63.351 0.219 1
1 1080 . 7 2 2 B 12 12 PRO CB C 12 31.350 31.683 -0.333 1
1 1083 . 7 2 2 B 13 13 PRO HA H 13 4.510 4.500 0.010 1
1 1090 . 7 2 2 B 13 13 PRO C C 13 175.980 177.273 -1.293 1
1 1091 . 7 2 2 B 13 13 PRO CB C 13 31.720 32.505 -0.785 1
1 1094 . 7 2 2 B 14 14 LEU H H 14 7.900 8.954 -1.054 1
1 1095 . 7 2 2 B 14 14 LEU HA H 14 4.480 4.484 -0.004 1
1 1101 . 7 2 2 B 14 14 LEU C C 14 177.260 177.078 0.182 1
1 1102 . 7 2 2 B 14 14 LEU CA C 14 52.290 54.533 -2.243 1
1 1103 . 7 2 2 B 14 14 LEU CB C 14 41.270 42.328 -1.058 1
1 1106 . 7 2 2 B 14 14 LEU N N 14 120.860 122.000 -1.140 1
1 1107 . 7 2 2 B 15 15 SER H H 15 8.620 8.239 0.381 1
1 1108 . 7 2 2 B 15 15 SER HA H 15 4.510 4.497 0.013 1
1 1111 . 7 2 2 B 15 15 SER C C 15 175.040 174.458 0.582 1
1 1112 . 7 2 2 B 15 15 SER CA C 15 57.330 59.891 -2.561 1
1 1113 . 7 2 2 B 15 15 SER CB C 15 63.960 62.856 1.104 1
1 1114 . 7 2 2 B 15 15 SER N N 15 117.360 113.688 3.672 1
1 1115 . 7 2 2 B 16 16 GLN H H 16 8.700 8.042 0.658 1
1 1116 . 7 2 2 B 16 16 GLN HA H 16 4.400 4.868 -0.468 1
1 1120 . 7 2 2 B 16 16 GLN C C 16 176.280 176.522 -0.242 1
1 1121 . 7 2 2 B 16 16 GLN CA C 16 56.170 55.184 0.986 1
1 1122 . 7 2 2 B 16 16 GLN CB C 16 29.310 29.479 -0.169 1
1 1124 . 7 2 2 B 16 16 GLN N N 16 122.480 118.451 4.029 1
1 1125 . 7 2 2 B 18 18 THR H H 18 7.860 8.156 -0.296 1
1 1126 . 7 2 2 B 18 18 THR HA H 18 4.080 3.999 0.081 1
1 1131 . 7 2 2 B 18 18 THR C C 18 175.900 176.311 -0.411 1
1 1132 . 7 2 2 B 18 18 THR CA C 18 66.280 66.546 -0.266 1
1 1133 . 7 2 2 B 18 18 THR CB C 18 67.550 68.810 -1.260 1
1 1135 . 7 2 2 B 18 18 THR N N 18 116.790 115.140 1.650 1
1 1136 . 7 2 2 B 19 19 PHE H H 19 8.640 8.664 -0.024 1
1 1137 . 7 2 2 B 19 19 PHE HA H 19 4.340 4.360 -0.020 1
1 1140 . 7 2 2 B 19 19 PHE C C 19 176.340 178.351 -2.011 1
1 1141 . 7 2 2 B 19 19 PHE CA C 19 59.680 61.445 -1.765 1
1 1142 . 7 2 2 B 19 19 PHE CB C 19 38.070 39.041 -0.971 1
1 1143 . 7 2 2 B 19 19 PHE N N 19 120.710 120.867 -0.157 1
1 1144 . 7 2 2 B 20 20 SER H H 20 8.260 8.883 -0.623 1
1 1145 . 7 2 2 B 20 20 SER C C 20 176.100 176.707 -0.607 1
1 1146 . 7 2 2 B 20 20 SER CA C 20 61.280 61.772 -0.492 1
1 1147 . 7 2 2 B 20 20 SER CB C 20 61.980 63.310 -1.330 1
1 1148 . 7 2 2 B 20 20 SER N N 20 114.000 114.556 -0.556 1
1 1149 . 7 2 2 B 21 21 ASP H H 21 7.660 7.978 -0.318 1
1 1150 . 7 2 2 B 21 21 ASP HA H 21 4.520 4.319 0.201 1
1 1153 . 7 2 2 B 21 21 ASP C C 21 177.890 178.703 -0.813 1
1 1154 . 7 2 2 B 21 21 ASP CA C 21 56.070 57.243 -1.173 1
1 1155 . 7 2 2 B 21 21 ASP CB C 21 40.020 40.365 -0.345 1
1 1156 . 7 2 2 B 21 21 ASP N N 21 120.570 121.130 -0.560 1
1 1157 . 7 2 2 B 22 22 LEU H H 22 7.990 8.013 -0.023 1
1 1158 . 7 2 2 B 22 22 LEU HA H 22 3.940 3.999 -0.059 1
1 1165 . 7 2 2 B 22 22 LEU C C 22 178.390 178.871 -0.481 1
1 1166 . 7 2 2 B 22 22 LEU CA C 22 57.440 58.438 -0.998 1
1 1167 . 7 2 2 B 22 22 LEU CB C 22 41.270 41.784 -0.514 1
1 1170 . 7 2 2 B 22 22 LEU N N 22 120.860 119.599 1.261 1
1 1171 . 7 2 2 B 23 23 TRP H H 23 8.920 7.993 0.927 1
1 1172 . 7 2 2 B 23 23 TRP HA H 23 4.200 4.651 -0.451 1
1 1175 . 7 2 2 B 23 23 TRP C C 23 178.090 177.198 0.892 1
1 1176 . 7 2 2 B 23 23 TRP CA C 23 59.310 58.320 0.990 1
1 1177 . 7 2 2 B 23 23 TRP CB C 23 28.550 29.269 -0.719 1
1 1178 . 7 2 2 B 23 23 TRP N N 23 119.580 116.861 2.719 1
1 1179 . 7 2 2 B 24 24 LYS H H 24 7.380 7.000 0.380 1
1 1180 . 7 2 2 B 24 24 LYS HA H 24 4.090 3.695 0.395 1
1 1189 . 7 2 2 B 24 24 LYS C C 24 177.360 177.213 0.147 1
1 1190 . 7 2 2 B 24 24 LYS CA C 24 57.750 56.476 1.274 1
1 1191 . 7 2 2 B 24 24 LYS CB C 24 31.980 31.925 0.055 1
1 1195 . 7 2 2 B 24 24 LYS N N 24 116.010 119.426 -3.416 1
1 1196 . 7 2 2 B 25 25 LEU H H 25 7.700 7.276 0.424 1
1 1197 . 7 2 2 B 25 25 LEU HA H 25 4.330 4.267 0.063 1
1 1207 . 7 2 2 B 25 25 LEU C C 25 177.290 176.273 1.017 1
1 1208 . 7 2 2 B 25 25 LEU CA C 25 54.920 54.249 0.671 1
1 1209 . 7 2 2 B 25 25 LEU CB C 25 42.220 41.554 0.666 1
1 1213 . 7 2 2 B 25 25 LEU N N 25 118.160 116.871 1.289 1
1 1214 . 7 2 2 B 26 26 LEU H H 26 7.350 7.170 0.180 1
1 1215 . 7 2 2 B 26 26 LEU HA H 26 4.540 4.367 0.173 1
1 1225 . 7 2 2 B 26 26 LEU C C 26 175.090 177.064 -1.974 1
1 1226 . 7 2 2 B 26 26 LEU CA C 26 53.130 53.694 -0.564 1
1 1227 . 7 2 2 B 26 26 LEU CB C 26 40.650 42.239 -1.589 1
1 1231 . 7 2 2 B 26 26 LEU N N 26 120.260 119.480 0.780 1
1 1232 . 7 2 2 B 27 27 PRO HA H 27 4.550 4.365 0.185 1
1 1239 . 7 2 2 B 27 27 PRO C C 27 177.410 176.682 0.728 1
1 1240 . 7 2 2 B 27 27 PRO CA C 27 62.420 65.065 -2.645 1
1 1241 . 7 2 2 B 27 27 PRO CB C 27 31.080 31.765 -0.685 1
1 1244 . 7 2 2 B 28 28 GLU H H 28 8.670 8.025 0.645 1
1 1245 . 7 2 2 B 28 28 GLU HA H 28 4.210 4.642 -0.432 1
1 1250 . 7 2 2 B 28 28 GLU C C 28 176.540 175.830 0.710 1
1 1251 . 7 2 2 B 28 28 GLU CA C 28 57.020 54.837 2.183 1
1 1252 . 7 2 2 B 28 28 GLU CB C 28 28.980 32.620 -3.640 1
1 1254 . 7 2 2 B 28 28 GLU N N 28 119.490 117.623 1.867 1
1 1255 . 7 2 2 B 29 29 ASN H H 29 8.220 8.672 -0.452 1
1 1256 . 7 2 2 B 29 29 ASN HA H 29 4.720 4.593 0.127 1
1 1259 . 7 2 2 B 29 29 ASN C C 29 174.980 174.900 0.080 1
1 1260 . 7 2 2 B 29 29 ASN CA C 29 53.130 54.038 -0.908 1
1 1261 . 7 2 2 B 29 29 ASN CB C 29 38.350 38.740 -0.390 1
1 1262 . 7 2 2 B 29 29 ASN N N 29 118.090 123.291 -5.201 1
1 1263 . 7 2 2 B 30 30 ASN H H 30 8.260 8.486 -0.226 1
1 1264 . 7 2 2 B 30 30 ASN HA H 30 4.740 4.645 0.095 1
1 1267 . 7 2 2 B 30 30 ASN C C 30 175.120 175.298 -0.178 1
1 1268 . 7 2 2 B 30 30 ASN CA C 30 53.230 53.911 -0.681 1
1 1269 . 7 2 2 B 30 30 ASN CB C 30 38.550 38.773 -0.223 1
1 1270 . 7 2 2 B 30 30 ASN N N 30 118.720 124.269 -5.549 1
1 1271 . 7 2 2 B 31 31 VAL H H 31 8.010 8.916 -0.906 1
1 1272 . 7 2 2 B 31 31 VAL HA H 31 4.150 4.332 -0.182 1
1 1277 . 7 2 2 B 31 31 VAL C C 31 175.990 175.633 0.357 1
1 1278 . 7 2 2 B 31 31 VAL CA C 31 62.270 62.028 0.242 1
1 1279 . 7 2 2 B 31 31 VAL CB C 31 31.820 33.081 -1.261 1
1 1281 . 7 2 2 B 31 31 VAL N N 31 118.920 122.802 -3.882 1
1 1282 . 7 2 2 B 32 32 LEU H H 32 8.190 8.391 -0.201 1
1 1283 . 7 2 2 B 32 32 LEU HA H 32 4.420 4.316 0.104 1
1 1292 . 7 2 2 B 32 32 LEU C C 32 176.960 177.095 -0.135 1
1 1293 . 7 2 2 B 32 32 LEU CA C 32 54.490 56.727 -2.237 1
1 1294 . 7 2 2 B 32 32 LEU CB C 32 41.800 41.975 -0.175 1
1 1298 . 7 2 2 B 32 32 LEU N N 32 123.760 128.048 -4.288 1
1 1299 . 7 2 2 B 33 33 SER H H 33 7.920 7.629 0.291 1
1 1300 . 7 2 2 B 33 33 SER HA H 33 4.790 4.317 0.473 1
1 1303 . 7 2 2 B 33 33 SER C C 33 172.710 173.514 -0.804 1
1 1304 . 7 2 2 B 33 33 SER CA C 33 55.970 56.966 -0.996 1
1 1305 . 7 2 2 B 33 33 SER CB C 33 63.020 63.501 -0.481 1
1 1306 . 7 2 2 B 33 33 SER N N 33 117.150 115.020 2.130 1
1 1307 . 7 2 2 B 34 34 PRO HA H 34 4.510 4.614 -0.104 1
1 1314 . 7 2 2 B 34 34 PRO C C 34 176.750 176.117 0.633 1
1 1315 . 7 2 2 B 34 34 PRO CA C 34 62.690 63.019 -0.329 1
1 1316 . 7 2 2 B 34 34 PRO CB C 34 31.420 32.158 -0.738 1
1 1319 . 7 2 2 B 35 35 LEU H H 35 8.200 8.516 -0.316 1
1 1320 . 7 2 2 B 35 35 LEU HA H 35 4.620 4.829 -0.209 1
1 1326 . 7 2 2 B 35 35 LEU C C 35 175.560 175.052 0.508 1
1 1327 . 7 2 2 B 35 35 LEU CA C 35 52.710 52.438 0.272 1
1 1328 . 7 2 2 B 35 35 LEU CB C 35 41.280 42.624 -1.344 1
1 1331 . 7 2 2 B 35 35 LEU N N 35 123.000 123.114 -0.114 1
1 1332 . 7 2 2 B 36 36 PRO HA H 36 4.850 4.443 0.407 1
1 1339 . 7 2 2 B 36 36 PRO C C 36 176.970 176.896 0.074 1
1 1340 . 7 2 2 B 36 36 PRO CA C 36 62.690 62.648 0.042 1
1 1341 . 7 2 2 B 36 36 PRO CB C 36 31.420 32.147 -0.727 1
1 1344 . 7 2 2 B 37 37 SER H H 37 8.280 8.729 -0.449 1
1 1345 . 7 2 2 B 37 37 SER HA H 37 4.520 4.299 0.221 1
1 1347 . 7 2 2 B 37 37 SER C C 37 174.580 175.096 -0.516 1
1 1348 . 7 2 2 B 37 37 SER CA C 37 55.870 58.944 -3.074 1
1 1349 . 7 2 2 B 37 37 SER CB C 37 63.360 62.940 0.420 1
1 1350 . 7 2 2 B 37 37 SER N N 37 115.170 118.547 -3.377 1
1 1351 . 7 2 2 B 38 38 GLN H H 38 8.310 8.935 -0.625 1
1 1352 . 7 2 2 B 38 38 GLN HA H 38 4.410 4.370 0.040 1
1 1356 . 7 2 2 B 38 38 GLN C C 38 174.650 176.728 -2.078 1
1 1357 . 7 2 2 B 38 38 GLN CA C 38 55.550 57.272 -1.722 1
1 1358 . 7 2 2 B 38 38 GLN CB C 38 29.190 29.780 -0.590 1
1 1360 . 7 2 2 B 38 38 GLN N N 38 122.270 127.884 -5.614 1
1 1 . 8 1 1 A 2 2 THR C C 2 174.280 174.367 -0.087 1
1 2 . 8 1 1 A 2 2 THR CA C 2 61.820 66.841 -5.021 1
1 3 . 8 1 1 A 2 2 THR CB C 2 69.660 68.920 0.740 1
1 4 . 8 1 1 A 3 3 GLN H H 3 8.502 7.643 0.859 1
1 5 . 8 1 1 A 3 3 GLN HA H 3 4.485 4.874 -0.389 1
1 9 . 8 1 1 A 3 3 GLN C C 3 175.680 175.021 0.659 1
1 10 . 8 1 1 A 3 3 GLN CA C 3 55.490 55.204 0.286 1
1 11 . 8 1 1 A 3 3 GLN CB C 3 28.570 30.093 -1.523 1
1 13 . 8 1 1 A 3 3 GLN N N 3 123.346 118.562 4.784 1
1 14 . 8 1 1 A 4 4 SER H H 4 8.586 8.580 0.006 1
1 15 . 8 1 1 A 4 4 SER HA H 4 4.860 4.700 0.160 1
1 18 . 8 1 1 A 4 4 SER C C 4 173.240 173.899 -0.659 1
1 19 . 8 1 1 A 4 4 SER CA C 4 56.280 56.482 -0.202 1
1 20 . 8 1 1 A 4 4 SER CB C 4 63.080 65.324 -2.244 1
1 21 . 8 1 1 A 4 4 SER N N 4 119.430 117.544 1.886 1
1 22 . 8 1 1 A 5 5 PRO HA H 5 4.490 4.215 0.275 1
1 29 . 8 1 1 A 5 5 PRO C C 5 178.020 178.404 -0.384 1
1 30 . 8 1 1 A 5 5 PRO CA C 5 63.740 65.324 -1.584 1
1 31 . 8 1 1 A 5 5 PRO CB C 5 30.120 31.703 -1.583 1
1 34 . 8 1 1 A 6 6 GLY H H 6 8.420 8.441 -0.021 1
1 35 . 8 1 1 A 6 6 GLY HA3 H 6 3.980 3.866 0.114 1
1 36 . 8 1 1 A 6 6 GLY C C 6 174.600 175.281 -0.681 1
1 37 . 8 1 1 A 6 6 GLY CA C 6 45.580 46.719 -1.139 1
1 38 . 8 1 1 A 6 6 GLY N N 6 108.250 105.405 2.845 1
1 39 . 8 1 1 A 7 7 ASP H H 7 8.080 8.354 -0.274 1
1 40 . 8 1 1 A 7 7 ASP HA H 7 4.660 4.470 0.190 1
1 42 . 8 1 1 A 7 7 ASP C C 7 177.440 178.370 -0.930 1
1 43 . 8 1 1 A 7 7 ASP CA C 7 54.960 56.344 -1.384 1
1 44 . 8 1 1 A 7 7 ASP CB C 7 40.740 40.665 0.075 1
1 45 . 8 1 1 A 7 7 ASP N N 7 121.210 121.982 -0.772 1
1 46 . 8 1 1 A 8 8 SER H H 8 8.363 7.961 0.402 1
1 47 . 8 1 1 A 8 8 SER HA H 8 4.330 4.203 0.127 1
1 49 . 8 1 1 A 8 8 SER C C 8 177.520 177.171 0.349 1
1 50 . 8 1 1 A 8 8 SER CA C 8 59.990 61.171 -1.181 1
1 51 . 8 1 1 A 8 8 SER CB C 8 62.540 63.106 -0.566 1
1 52 . 8 1 1 A 8 8 SER N N 8 117.020 115.115 1.905 1
1 53 . 8 1 1 A 9 9 ARG H H 9 8.270 8.290 -0.020 1
1 54 . 8 1 1 A 9 9 ARG HA H 9 4.820 4.167 0.653 1
1 59 . 8 1 1 A 9 9 ARG C C 9 177.800 178.961 -1.161 1
1 60 . 8 1 1 A 9 9 ARG CA C 9 58.170 58.970 -0.800 1
1 61 . 8 1 1 A 9 9 ARG CB C 9 29.490 29.782 -0.292 1
1 64 . 8 1 1 A 9 9 ARG N N 9 123.050 121.810 1.240 1
1 65 . 8 1 1 A 10 10 ARG H H 10 8.030 7.419 0.611 1
1 66 . 8 1 1 A 10 10 ARG HA H 10 4.100 4.034 0.066 1
1 73 . 8 1 1 A 10 10 ARG C C 10 177.900 178.590 -0.690 1
1 74 . 8 1 1 A 10 10 ARG CA C 10 57.100 58.856 -1.756 1
1 75 . 8 1 1 A 10 10 ARG CB C 10 29.490 29.855 -0.365 1
1 78 . 8 1 1 A 10 10 ARG N N 10 119.730 118.976 0.754 1
1 79 . 8 1 1 A 11 11 LEU H H 11 8.100 8.274 -0.174 1
1 80 . 8 1 1 A 11 11 LEU HA H 11 4.220 4.114 0.106 1
1 87 . 8 1 1 A 11 11 LEU C C 11 178.600 179.103 -0.503 1
1 88 . 8 1 1 A 11 11 LEU CA C 11 57.100 56.576 0.524 1
1 89 . 8 1 1 A 11 11 LEU CB C 11 41.270 41.824 -0.554 1
1 92 . 8 1 1 A 11 11 LEU N N 11 120.770 120.847 -0.077 1
1 93 . 8 1 1 A 12 12 SER H H 12 8.052 8.375 -0.323 1
1 94 . 8 1 1 A 12 12 SER HA H 12 4.250 4.164 0.086 1
1 97 . 8 1 1 A 12 12 SER C C 12 178.790 176.545 2.245 1
1 98 . 8 1 1 A 12 12 SER CA C 12 60.960 61.445 -0.485 1
1 99 . 8 1 1 A 12 12 SER CB C 12 62.580 62.912 -0.332 1
1 100 . 8 1 1 A 12 12 SER N N 12 115.760 114.350 1.410 1
1 101 . 8 1 1 A 13 13 ILE H H 13 8.000 7.702 0.298 1
1 102 . 8 1 1 A 13 13 ILE HA H 13 3.730 3.805 -0.075 1
1 112 . 8 1 1 A 13 13 ILE C C 13 179.740 177.929 1.811 1
1 113 . 8 1 1 A 13 13 ILE CA C 13 64.920 64.486 0.434 1
1 114 . 8 1 1 A 13 13 ILE CB C 13 37.200 37.324 -0.124 1
1 118 . 8 1 1 A 13 13 ILE N N 13 123.290 118.826 4.464 1
1 119 . 8 1 1 A 14 14 GLN H H 14 8.110 8.028 0.082 1
1 120 . 8 1 1 A 14 14 GLN HA H 14 4.030 3.914 0.116 1
1 124 . 8 1 1 A 14 14 GLN C C 14 178.850 178.523 0.327 1
1 125 . 8 1 1 A 14 14 GLN CA C 14 59.170 59.261 -0.091 1
1 126 . 8 1 1 A 14 14 GLN CB C 14 27.810 28.155 -0.345 1
1 128 . 8 1 1 A 14 14 GLN N N 14 119.020 121.062 -2.042 1
1 129 . 8 1 1 A 15 15 ARG H H 15 8.360 7.786 0.574 1
1 130 . 8 1 1 A 15 15 ARG HA H 15 3.980 3.989 -0.009 1
1 137 . 8 1 1 A 15 15 ARG C C 15 177.020 178.788 -1.768 1
1 138 . 8 1 1 A 15 15 ARG CA C 15 59.030 59.064 -0.034 1
1 139 . 8 1 1 A 15 15 ARG CB C 15 29.460 30.098 -0.638 1
1 142 . 8 1 1 A 15 15 ARG N N 15 118.820 119.376 -0.556 1
1 143 . 8 1 1 A 16 16 ALA H H 16 8.000 7.712 0.288 1
1 144 . 8 1 1 A 16 16 ALA HA H 16 4.230 4.073 0.157 1
1 148 . 8 1 1 A 16 16 ALA C C 16 179.750 179.953 -0.203 1
1 149 . 8 1 1 A 16 16 ALA CA C 16 55.190 55.002 0.188 1
1 150 . 8 1 1 A 16 16 ALA CB C 16 18.020 18.194 -0.174 1
1 151 . 8 1 1 A 16 16 ALA N N 16 123.800 121.667 2.133 1
1 152 . 8 1 1 A 17 17 ILE H H 17 8.490 9.243 -0.753 1
1 153 . 8 1 1 A 17 17 ILE HA H 17 3.760 3.595 0.165 1
1 163 . 8 1 1 A 17 17 ILE C C 17 178.300 178.187 0.113 1
1 164 . 8 1 1 A 17 17 ILE CA C 17 64.710 65.617 -0.907 1
1 165 . 8 1 1 A 17 17 ILE CB C 17 36.560 37.550 -0.990 1
1 169 . 8 1 1 A 17 17 ILE N N 17 118.260 118.938 -0.678 1
1 170 . 8 1 1 A 18 18 GLN H H 18 8.230 9.298 -1.068 1
1 171 . 8 1 1 A 18 18 GLN HA H 18 4.110 3.947 0.163 1
1 175 . 8 1 1 A 18 18 GLN C C 18 178.950 177.883 1.067 1
1 176 . 8 1 1 A 18 18 GLN CA C 18 59.030 58.879 0.151 1
1 177 . 8 1 1 A 18 18 GLN CB C 18 27.540 28.126 -0.586 1
1 179 . 8 1 1 A 18 18 GLN N N 18 118.800 118.493 0.307 1
1 180 . 8 1 1 A 19 19 SER H H 19 8.230 7.693 0.537 1
1 181 . 8 1 1 A 19 19 SER HA H 19 4.430 4.505 -0.075 1
1 184 . 8 1 1 A 19 19 SER C C 19 176.120 176.989 -0.869 1
1 185 . 8 1 1 A 19 19 SER CA C 19 61.600 61.168 0.432 1
1 186 . 8 1 1 A 19 19 SER CB C 19 62.580 63.054 -0.474 1
1 187 . 8 1 1 A 19 19 SER N N 19 116.040 115.342 0.698 1
1 188 . 8 1 1 A 20 20 LEU H H 20 8.250 9.229 -0.979 1
1 189 . 8 1 1 A 20 20 LEU HA H 20 4.090 4.086 0.004 1
1 199 . 8 1 1 A 20 20 LEU C C 20 177.180 178.592 -1.412 1
1 200 . 8 1 1 A 20 20 LEU CA C 20 58.390 58.102 0.288 1
1 201 . 8 1 1 A 20 20 LEU CB C 20 41.810 41.881 -0.071 1
1 205 . 8 1 1 A 20 20 LEU N N 20 125.460 123.321 2.139 1
1 206 . 8 1 1 A 21 21 VAL H H 21 8.520 9.246 -0.726 1
1 207 . 8 1 1 A 21 21 VAL HA H 21 3.340 3.609 -0.269 1
1 212 . 8 1 1 A 21 21 VAL C C 21 178.430 178.208 0.222 1
1 213 . 8 1 1 A 21 21 VAL CA C 21 66.510 66.578 -0.068 1
1 214 . 8 1 1 A 21 21 VAL CB C 21 31.270 31.564 -0.294 1
1 217 . 8 1 1 A 21 21 VAL N N 21 118.590 119.125 -0.535 1
1 218 . 8 1 1 A 22 22 HIS H H 22 7.950 7.899 0.051 1
1 219 . 8 1 1 A 22 22 HIS HA H 22 4.260 4.222 0.038 1
1 222 . 8 1 1 A 22 22 HIS C C 22 178.020 177.526 0.494 1
1 223 . 8 1 1 A 22 22 HIS CA C 22 59.770 59.711 0.059 1
1 224 . 8 1 1 A 22 22 HIS CB C 22 27.230 29.707 -2.477 1
1 225 . 8 1 1 A 22 22 HIS N N 22 115.760 119.200 -3.440 1
1 226 . 8 1 1 A 23 23 ALA H H 23 8.580 9.428 -0.848 1
1 227 . 8 1 1 A 23 23 ALA HA H 23 4.190 3.961 0.229 1
1 231 . 8 1 1 A 23 23 ALA C C 23 179.210 178.909 0.301 1
1 232 . 8 1 1 A 23 23 ALA CA C 23 54.420 54.787 -0.367 1
1 233 . 8 1 1 A 23 23 ALA CB C 23 19.010 17.951 1.059 1
1 234 . 8 1 1 A 23 23 ALA N N 23 121.190 120.849 0.341 1
1 235 . 8 1 1 A 24 24 ALA H H 24 8.240 8.103 0.137 1
1 236 . 8 1 1 A 24 24 ALA HA H 24 4.110 4.095 0.015 1
1 240 . 8 1 1 A 24 24 ALA C C 24 177.610 177.934 -0.324 1
1 241 . 8 1 1 A 24 24 ALA CA C 24 53.540 52.866 0.674 1
1 242 . 8 1 1 A 24 24 ALA CB C 24 18.060 18.952 -0.892 1
1 243 . 8 1 1 A 24 24 ALA N N 24 116.530 118.741 -2.211 1
1 244 . 8 1 1 A 25 25 GLN H H 25 7.230 7.692 -0.462 1
1 245 . 8 1 1 A 25 25 GLN HA H 25 4.540 4.419 0.121 1
1 250 . 8 1 1 A 25 25 GLN C C 25 174.530 176.328 -1.798 1
1 251 . 8 1 1 A 25 25 GLN CA C 25 54.400 56.361 -1.961 1
1 252 . 8 1 1 A 25 25 GLN CB C 25 30.090 31.273 -1.183 1
1 254 . 8 1 1 A 25 25 GLN N N 25 112.050 114.599 -2.549 1
1 255 . 8 1 1 A 26 26 CYS H H 26 7.320 8.643 -1.323 1
1 256 . 8 1 1 A 26 26 CYS HA H 26 3.920 4.419 -0.499 1
1 259 . 8 1 1 A 26 26 CYS C C 26 176.230 174.127 2.103 1
1 260 . 8 1 1 A 26 26 CYS CA C 26 60.480 57.560 2.920 1
1 261 . 8 1 1 A 26 26 CYS CB C 26 28.470 26.688 1.782 1
1 262 . 8 1 1 A 26 26 CYS N N 26 124.310 119.167 5.143 1
1 263 . 8 1 1 A 27 27 ARG H H 27 8.840 8.631 0.209 1
1 264 . 8 1 1 A 27 27 ARG HA H 27 4.650 4.338 0.312 1
1 271 . 8 1 1 A 27 27 ARG C C 27 175.270 176.183 -0.913 1
1 272 . 8 1 1 A 27 27 ARG CA C 27 54.320 55.065 -0.745 1
1 273 . 8 1 1 A 27 27 ARG CB C 27 29.490 28.634 0.856 1
1 276 . 8 1 1 A 27 27 ARG N N 27 129.620 128.187 1.433 1
1 277 . 8 1 1 A 28 28 ASN H H 28 7.930 7.830 0.100 1
1 278 . 8 1 1 A 28 28 ASN HA H 28 4.890 4.535 0.355 1
1 281 . 8 1 1 A 28 28 ASN C C 28 175.240 175.125 0.115 1
1 282 . 8 1 1 A 28 28 ASN CA C 28 51.540 55.992 -4.452 1
1 283 . 8 1 1 A 28 28 ASN CB C 28 38.460 39.243 -0.783 1
1 284 . 8 1 1 A 28 28 ASN N N 28 120.580 123.242 -2.662 1
1 285 . 8 1 1 A 29 29 ALA H H 29 9.100 7.894 1.206 1
1 286 . 8 1 1 A 29 29 ALA HA H 29 4.120 3.958 0.162 1
1 290 . 8 1 1 A 29 29 ALA C C 29 178.010 177.384 0.626 1
1 291 . 8 1 1 A 29 29 ALA CA C 29 54.040 55.127 -1.087 1
1 292 . 8 1 1 A 29 29 ALA CB C 29 18.020 16.952 1.068 1
1 293 . 8 1 1 A 29 29 ALA N N 29 130.290 120.641 9.649 1
1 294 . 8 1 1 A 30 30 ASN H H 30 8.080 7.955 0.125 1
1 295 . 8 1 1 A 30 30 ASN HA H 30 4.900 4.906 -0.006 1
1 298 . 8 1 1 A 30 30 ASN C C 30 174.150 174.956 -0.806 1
1 299 . 8 1 1 A 30 30 ASN CA C 30 51.490 53.272 -1.782 1
1 300 . 8 1 1 A 30 30 ASN CB C 30 38.200 38.962 -0.762 1
1 301 . 8 1 1 A 30 30 ASN N N 30 114.290 115.012 -0.722 1
1 302 . 8 1 1 A 31 31 CYS H H 31 7.170 7.399 -0.229 1
1 303 . 8 1 1 A 31 31 CYS HA H 31 4.079 4.314 -0.235 1
1 306 . 8 1 1 A 31 31 CYS C C 31 176.800 176.332 0.468 1
1 307 . 8 1 1 A 31 31 CYS CA C 31 61.430 59.958 1.472 1
1 308 . 8 1 1 A 31 31 CYS CB C 31 29.428 28.610 0.818 1
1 309 . 8 1 1 A 31 31 CYS N N 31 123.080 120.644 2.436 1
1 310 . 8 1 1 A 32 32 SER H H 32 8.740 8.817 -0.077 1
1 311 . 8 1 1 A 32 32 SER HA H 32 4.150 4.516 -0.366 1
1 314 . 8 1 1 A 32 32 SER C C 32 174.850 174.172 0.678 1
1 315 . 8 1 1 A 32 32 SER CA C 32 57.570 58.789 -1.219 1
1 316 . 8 1 1 A 32 32 SER CB C 32 63.540 63.689 -0.149 1
1 317 . 8 1 1 A 32 32 SER N N 32 124.210 121.281 2.929 1
1 318 . 8 1 1 A 33 33 LEU H H 33 8.520 7.653 0.867 1
1 319 . 8 1 1 A 33 33 LEU HA H 33 4.570 4.627 -0.057 1
1 329 . 8 1 1 A 33 33 LEU C C 33 176.850 175.946 0.904 1
1 330 . 8 1 1 A 33 33 LEU CA C 33 54.080 51.152 2.928 1
1 331 . 8 1 1 A 33 33 LEU CB C 33 40.420 41.604 -1.184 1
1 335 . 8 1 1 A 33 33 LEU N N 33 128.730 124.441 4.289 1
1 336 . 8 1 1 A 34 34 PRO HA H 34 4.360 4.328 0.032 1
1 343 . 8 1 1 A 34 34 PRO C C 34 178.380 178.078 0.302 1
1 344 . 8 1 1 A 34 34 PRO CA C 34 64.970 65.043 -0.073 1
1 345 . 8 1 1 A 34 34 PRO CB C 34 31.230 31.961 -0.731 1
1 348 . 8 1 1 A 35 35 SER H H 35 8.300 8.533 -0.233 1
1 349 . 8 1 1 A 35 35 SER HA H 35 4.320 4.238 0.082 1
1 352 . 8 1 1 A 35 35 SER C C 35 178.350 176.514 1.836 1
1 353 . 8 1 1 A 35 35 SER CA C 35 59.953 61.388 -1.435 1
1 354 . 8 1 1 A 35 35 SER CB C 35 62.470 62.821 -0.351 1
1 355 . 8 1 1 A 35 35 SER N N 35 111.680 113.353 -1.673 1
1 356 . 8 1 1 A 36 36 CYS H H 36 7.500 8.960 -1.460 1
1 357 . 8 1 1 A 36 36 CYS HA H 36 4.242 4.166 0.076 1
1 360 . 8 1 1 A 36 36 CYS C C 36 176.630 177.137 -0.507 1
1 361 . 8 1 1 A 36 36 CYS CA C 36 63.710 63.613 0.097 1
1 362 . 8 1 1 A 36 36 CYS CB C 36 29.170 27.536 1.634 1
1 363 . 8 1 1 A 36 36 CYS N N 36 125.580 120.208 5.372 1
1 364 . 8 1 1 A 37 37 GLN H H 37 8.170 7.837 0.333 1
1 365 . 8 1 1 A 37 37 GLN HA H 37 4.010 3.992 0.018 1
1 369 . 8 1 1 A 37 37 GLN C C 37 178.900 177.932 0.968 1
1 370 . 8 1 1 A 37 37 GLN CA C 37 59.580 58.795 0.785 1
1 371 . 8 1 1 A 37 37 GLN CB C 37 27.560 28.425 -0.865 1
1 373 . 8 1 1 A 37 37 GLN N N 37 116.020 120.181 -4.161 1
1 374 . 8 1 1 A 38 38 LYS H H 38 7.840 7.655 0.185 1
1 375 . 8 1 1 A 38 38 LYS HA H 38 4.079 4.153 -0.074 1
1 381 . 8 1 1 A 38 38 LYS C C 38 179.300 179.613 -0.313 1
1 382 . 8 1 1 A 38 38 LYS CA C 38 59.280 59.152 0.128 1
1 383 . 8 1 1 A 38 38 LYS CB C 38 32.120 31.956 0.164 1
1 387 . 8 1 1 A 38 38 LYS N N 38 117.000 119.792 -2.792 1
1 388 . 8 1 1 A 39 39 MET H H 39 8.270 8.301 -0.031 1
1 389 . 8 1 1 A 39 39 MET HA H 39 4.580 4.233 0.347 1
1 394 . 8 1 1 A 39 39 MET C C 39 179.710 178.906 0.804 1
1 395 . 8 1 1 A 39 39 MET CA C 39 56.330 58.665 -2.335 1
1 396 . 8 1 1 A 39 39 MET CB C 39 31.180 31.592 -0.412 1
1 398 . 8 1 1 A 39 39 MET N N 39 118.020 117.872 0.148 1
1 399 . 8 1 1 A 40 40 LYS H H 40 9.530 8.858 0.672 1
1 400 . 8 1 1 A 40 40 LYS HA H 40 3.860 4.029 -0.169 1
1 406 . 8 1 1 A 40 40 LYS C C 40 179.620 179.218 0.402 1
1 407 . 8 1 1 A 40 40 LYS CA C 40 61.360 59.981 1.379 1
1 408 . 8 1 1 A 40 40 LYS CB C 40 32.120 32.210 -0.090 1
1 412 . 8 1 1 A 40 40 LYS N N 40 122.280 119.371 2.909 1
1 413 . 8 1 1 A 41 41 ARG H H 41 7.560 7.638 -0.078 1
1 414 . 8 1 1 A 41 41 ARG HA H 41 4.200 4.135 0.065 1
1 421 . 8 1 1 A 41 41 ARG C C 41 179.650 178.858 0.792 1
1 422 . 8 1 1 A 41 41 ARG CA C 41 59.350 58.790 0.560 1
1 423 . 8 1 1 A 41 41 ARG CB C 41 29.300 29.901 -0.601 1
1 426 . 8 1 1 A 41 41 ARG N N 41 117.590 119.918 -2.328 1
1 427 . 8 1 1 A 42 42 VAL H H 42 7.570 7.536 0.034 1
1 428 . 8 1 1 A 42 42 VAL HA H 42 3.670 3.769 -0.099 1
1 436 . 8 1 1 A 42 42 VAL C C 42 177.480 178.533 -1.053 1
1 437 . 8 1 1 A 42 42 VAL CA C 42 66.420 66.211 0.209 1
1 438 . 8 1 1 A 42 42 VAL CB C 42 30.700 31.802 -1.102 1
1 441 . 8 1 1 A 42 42 VAL N N 42 121.450 119.734 1.716 1
1 442 . 8 1 1 A 43 43 VAL H H 43 8.450 8.833 -0.383 1
1 443 . 8 1 1 A 43 43 VAL HA H 43 3.540 3.635 -0.095 1
1 448 . 8 1 1 A 43 43 VAL C C 43 178.950 178.089 0.861 1
1 449 . 8 1 1 A 43 43 VAL CA C 43 66.940 66.576 0.364 1
1 450 . 8 1 1 A 43 43 VAL CB C 43 31.090 31.726 -0.636 1
1 452 . 8 1 1 A 43 43 VAL N N 43 120.380 120.810 -0.430 1
1 453 . 8 1 1 A 44 44 GLN H H 44 8.400 9.451 -1.051 1
1 454 . 8 1 1 A 44 44 GLN HA H 44 4.020 4.045 -0.025 1
1 457 . 8 1 1 A 44 44 GLN C C 44 177.240 178.498 -1.258 1
1 458 . 8 1 1 A 44 44 GLN CA C 44 58.550 58.683 -0.133 1
1 459 . 8 1 1 A 44 44 GLN CB C 44 27.550 28.175 -0.625 1
1 461 . 8 1 1 A 44 44 GLN N N 44 119.280 117.901 1.379 1
1 462 . 8 1 1 A 45 45 HIS H H 45 8.070 7.966 0.104 1
1 463 . 8 1 1 A 45 45 HIS HA H 45 4.280 4.292 -0.012 1
1 465 . 8 1 1 A 45 45 HIS C C 45 177.800 177.005 0.795 1
1 466 . 8 1 1 A 45 45 HIS CA C 45 59.440 59.236 0.204 1
1 467 . 8 1 1 A 45 45 HIS CB C 45 26.760 29.791 -3.031 1
1 468 . 8 1 1 A 45 45 HIS N N 45 119.000 121.451 -2.451 1
1 469 . 8 1 1 A 46 46 THR H H 46 7.800 8.234 -0.434 1
1 470 . 8 1 1 A 46 46 THR HA H 46 3.870 3.511 0.359 1
1 475 . 8 1 1 A 46 46 THR C C 46 175.850 176.439 -0.589 1
1 476 . 8 1 1 A 46 46 THR CA C 46 65.410 67.087 -1.677 1
1 477 . 8 1 1 A 46 46 THR CB C 46 68.850 68.400 0.450 1
1 479 . 8 1 1 A 46 46 THR N N 46 110.300 115.580 -5.280 1
1 480 . 8 1 1 A 47 47 LYS H H 47 7.310 8.166 -0.856 1
1 481 . 8 1 1 A 47 47 LYS HA H 47 4.100 4.303 -0.203 1
1 488 . 8 1 1 A 47 47 LYS C C 47 177.640 180.017 -2.377 1
1 489 . 8 1 1 A 47 47 LYS CA C 47 58.310 59.352 -1.042 1
1 490 . 8 1 1 A 47 47 LYS CB C 47 31.420 32.169 -0.749 1
1 494 . 8 1 1 A 47 47 LYS N N 47 120.240 119.498 0.742 1
1 495 . 8 1 1 A 48 48 GLY H H 48 7.159 7.604 -0.445 1
1 496 . 8 1 1 A 48 48 GLY HA2 H 48 4.410 4.002 0.408 1
1 497 . 8 1 1 A 48 48 GLY HA3 H 48 3.680 4.018 -0.338 1
1 498 . 8 1 1 A 48 48 GLY C C 48 173.850 174.137 -0.287 1
1 499 . 8 1 1 A 48 48 GLY CA C 48 44.433 46.647 -2.214 1
1 500 . 8 1 1 A 48 48 GLY N N 48 103.360 106.670 -3.310 1
1 501 . 8 1 1 A 49 49 CYS H H 49 6.910 7.375 -0.465 1
1 502 . 8 1 1 A 49 49 CYS HA H 49 4.020 4.583 -0.563 1
1 505 . 8 1 1 A 49 49 CYS C C 49 176.710 174.572 2.138 1
1 506 . 8 1 1 A 49 49 CYS CA C 49 60.620 57.592 3.028 1
1 507 . 8 1 1 A 49 49 CYS CB C 49 29.260 29.643 -0.383 1
1 508 . 8 1 1 A 49 49 CYS N N 49 123.280 120.218 3.062 1
1 509 . 8 1 1 A 50 50 LYS H H 50 8.960 9.121 -0.161 1
1 510 . 8 1 1 A 50 50 LYS HA H 50 3.980 4.217 -0.237 1
1 519 . 8 1 1 A 50 50 LYS C C 50 177.580 178.685 -1.105 1
1 520 . 8 1 1 A 50 50 LYS CA C 50 56.280 58.173 -1.893 1
1 521 . 8 1 1 A 50 50 LYS CB C 50 32.150 32.676 -0.526 1
1 525 . 8 1 1 A 50 50 LYS N N 50 128.200 128.407 -0.207 1
1 526 . 8 1 1 A 51 51 ARG H H 51 8.530 7.826 0.704 1
1 527 . 8 1 1 A 51 51 ARG HA H 51 4.460 3.983 0.477 1
1 533 . 8 1 1 A 51 51 ARG C C 51 176.700 178.689 -1.989 1
1 534 . 8 1 1 A 51 51 ARG CA C 51 57.203 59.386 -2.183 1
1 535 . 8 1 1 A 51 51 ARG CB C 51 30.969 30.014 0.955 1
1 538 . 8 1 1 A 51 51 ARG N N 51 122.350 121.020 1.330 1
1 539 . 8 1 1 A 52 52 LYS H H 52 8.420 7.502 0.918 1
1 540 . 8 1 1 A 52 52 LYS HA H 52 4.470 4.172 0.298 1
1 549 . 8 1 1 A 52 52 LYS C C 52 177.300 179.080 -1.780 1
1 550 . 8 1 1 A 52 52 LYS CA C 52 57.600 58.801 -1.201 1
1 551 . 8 1 1 A 52 52 LYS CB C 52 31.627 32.091 -0.464 1
1 555 . 8 1 1 A 52 52 LYS N N 52 118.820 119.285 -0.465 1
1 556 . 8 1 1 A 53 53 THR H H 53 7.760 7.753 0.007 1
1 557 . 8 1 1 A 53 53 THR HA H 53 4.230 4.189 0.041 1
1 562 . 8 1 1 A 53 53 THR C C 53 175.700 174.985 0.715 1
1 563 . 8 1 1 A 53 53 THR CA C 53 63.390 65.842 -2.452 1
1 564 . 8 1 1 A 53 53 THR CB C 53 68.220 68.573 -0.353 1
1 566 . 8 1 1 A 53 53 THR N N 53 112.860 117.719 -4.859 1
1 567 . 8 1 1 A 54 54 ASN H H 54 8.260 7.644 0.616 1
1 568 . 8 1 1 A 54 54 ASN HA H 54 4.110 4.801 -0.691 1
1 570 . 8 1 1 A 54 54 ASN C C 54 175.970 175.660 0.310 1
1 571 . 8 1 1 A 54 54 ASN CA C 54 53.300 53.029 0.271 1
1 572 . 8 1 1 A 54 54 ASN CB C 54 37.810 39.128 -1.318 1
1 573 . 8 1 1 A 54 54 ASN N N 54 119.690 116.568 3.122 1
1 574 . 8 1 1 A 55 55 GLY H H 55 7.960 8.391 -0.431 1
1 575 . 8 1 1 A 55 55 GLY HA2 H 55 4.010 3.930 0.080 1
1 576 . 8 1 1 A 55 55 GLY HA3 H 55 4.010 3.943 0.067 1
1 577 . 8 1 1 A 55 55 GLY C C 55 175.270 175.921 -0.651 1
1 578 . 8 1 1 A 55 55 GLY CA C 55 45.610 45.375 0.235 1
1 579 . 8 1 1 A 55 55 GLY N N 55 107.340 107.085 0.255 1
1 580 . 8 1 1 A 56 56 GLY H H 56 7.820 7.567 0.253 1
1 581 . 8 1 1 A 56 56 GLY HA2 H 56 3.970 3.872 0.098 1
1 582 . 8 1 1 A 56 56 GLY HA3 H 56 3.970 3.874 0.096 1
1 583 . 8 1 1 A 56 56 GLY C C 56 173.320 174.880 -1.560 1
1 584 . 8 1 1 A 56 56 GLY CA C 56 45.350 47.419 -2.069 1
1 585 . 8 1 1 A 56 56 GLY N N 56 107.080 107.438 -0.358 1
1 586 . 8 1 1 A 57 57 CYS H H 57 8.010 7.718 0.292 1
1 587 . 8 1 1 A 57 57 CYS HA H 57 4.870 4.665 0.205 1
1 590 . 8 1 1 A 57 57 CYS C C 57 175.610 174.648 0.962 1
1 591 . 8 1 1 A 57 57 CYS CA C 57 55.340 57.401 -2.061 1
1 592 . 8 1 1 A 57 57 CYS CB C 57 30.160 28.188 1.972 1
1 593 . 8 1 1 A 57 57 CYS N N 57 122.570 118.240 4.330 1
1 594 . 8 1 1 A 58 58 PRO HA H 58 4.320 4.279 0.041 1
1 601 . 8 1 1 A 58 58 PRO CA C 58 64.550 65.042 -0.492 1
1 602 . 8 1 1 A 58 58 PRO CB C 58 32.050 31.902 0.148 1
1 605 . 8 1 1 A 59 59 ILE H H 59 7.917 7.438 0.479 1
1 606 . 8 1 1 A 59 59 ILE HA H 59 3.550 3.860 -0.310 1
1 616 . 8 1 1 A 59 59 ILE C C 59 178.040 177.752 0.288 1
1 617 . 8 1 1 A 59 59 ILE CA C 59 64.540 64.499 0.041 1
1 618 . 8 1 1 A 59 59 ILE CB C 59 38.160 38.297 -0.137 1
1 622 . 8 1 1 A 59 59 ILE N N 59 120.680 116.782 3.898 1
1 623 . 8 1 1 A 60 60 CYS H H 60 8.920 8.151 0.769 1
1 624 . 8 1 1 A 60 60 CYS HA H 60 4.105 4.015 0.090 1
1 627 . 8 1 1 A 60 60 CYS C C 60 177.540 177.156 0.384 1
1 628 . 8 1 1 A 60 60 CYS CA C 60 66.000 63.282 2.718 1
1 629 . 8 1 1 A 60 60 CYS CB C 60 28.750 27.475 1.275 1
1 630 . 8 1 1 A 60 60 CYS N N 60 123.890 118.622 5.268 1
1 631 . 8 1 1 A 61 61 LYS H H 61 8.100 8.658 -0.558 1
1 632 . 8 1 1 A 61 61 LYS HA H 61 3.920 3.902 0.018 1
1 639 . 8 1 1 A 61 61 LYS C C 61 179.030 178.391 0.639 1
1 640 . 8 1 1 A 61 61 LYS CA C 61 59.610 59.651 -0.041 1
1 641 . 8 1 1 A 61 61 LYS CB C 61 32.040 32.563 -0.523 1
1 645 . 8 1 1 A 61 61 LYS N N 61 117.130 121.521 -4.391 1
1 646 . 8 1 1 A 62 62 GLN H H 62 7.010 8.392 -1.382 1
1 647 . 8 1 1 A 62 62 GLN HA H 62 4.150 4.097 0.053 1
1 652 . 8 1 1 A 62 62 GLN C C 62 178.340 178.146 0.194 1
1 653 . 8 1 1 A 62 62 GLN CA C 62 58.520 58.639 -0.119 1
1 654 . 8 1 1 A 62 62 GLN CB C 62 27.587 28.174 -0.587 1
1 656 . 8 1 1 A 62 62 GLN N N 62 117.000 118.536 -1.536 1
1 657 . 8 1 1 A 63 63 LEU H H 63 7.980 8.010 -0.030 1
1 658 . 8 1 1 A 63 63 LEU HA H 63 4.160 4.023 0.137 1
1 667 . 8 1 1 A 63 63 LEU C C 63 179.060 178.136 0.924 1
1 668 . 8 1 1 A 63 63 LEU CA C 63 57.830 58.091 -0.261 1
1 669 . 8 1 1 A 63 63 LEU CB C 63 41.270 41.255 0.015 1
1 673 . 8 1 1 A 63 63 LEU N N 63 119.730 121.172 -1.442 1
1 674 . 8 1 1 A 64 64 ILE H H 64 8.481 8.603 -0.122 1
1 675 . 8 1 1 A 64 64 ILE HA H 64 3.650 3.351 0.299 1
1 685 . 8 1 1 A 64 64 ILE C C 64 179.930 178.209 1.721 1
1 686 . 8 1 1 A 64 64 ILE CA C 64 65.220 65.676 -0.456 1
1 687 . 8 1 1 A 64 64 ILE CB C 64 36.960 37.806 -0.846 1
1 691 . 8 1 1 A 64 64 ILE N N 64 120.350 119.609 0.741 1
1 692 . 8 1 1 A 65 65 ALA H H 65 7.300 7.670 -0.370 1
1 693 . 8 1 1 A 65 65 ALA HA H 65 4.200 3.993 0.207 1
1 697 . 8 1 1 A 65 65 ALA C C 65 180.010 179.884 0.126 1
1 698 . 8 1 1 A 65 65 ALA CA C 65 54.940 55.468 -0.528 1
1 699 . 8 1 1 A 65 65 ALA CB C 65 18.010 18.577 -0.567 1
1 700 . 8 1 1 A 65 65 ALA N N 65 122.510 123.056 -0.546 1
1 701 . 8 1 1 A 66 66 LEU H H 66 8.120 8.557 -0.437 1
1 702 . 8 1 1 A 66 66 LEU HA H 66 4.100 4.315 -0.215 1
1 712 . 8 1 1 A 66 66 LEU C C 66 179.480 178.619 0.861 1
1 713 . 8 1 1 A 66 66 LEU CA C 66 57.540 57.870 -0.330 1
1 714 . 8 1 1 A 66 66 LEU CB C 66 41.940 41.336 0.604 1
1 718 . 8 1 1 A 66 66 LEU N N 66 115.490 119.992 -4.502 1
1 719 . 8 1 1 A 67 67 ALA H H 67 8.840 9.142 -0.302 1
1 720 . 8 1 1 A 67 67 ALA HA H 67 4.000 4.104 -0.104 1
1 724 . 8 1 1 A 67 67 ALA C C 67 179.000 179.690 -0.690 1
1 725 . 8 1 1 A 67 67 ALA CA C 67 55.490 55.185 0.305 1
1 726 . 8 1 1 A 67 67 ALA CB C 67 18.460 18.320 0.140 1
1 727 . 8 1 1 A 67 67 ALA N N 67 121.500 120.563 0.937 1
1 728 . 8 1 1 A 68 68 ALA H H 68 8.500 8.130 0.370 1
1 729 . 8 1 1 A 68 68 ALA HA H 68 4.160 3.978 0.182 1
1 733 . 8 1 1 A 68 68 ALA C C 68 179.070 179.570 -0.500 1
1 734 . 8 1 1 A 68 68 ALA CA C 68 55.290 54.983 0.307 1
1 735 . 8 1 1 A 68 68 ALA CB C 68 17.524 18.345 -0.821 1
1 736 . 8 1 1 A 68 68 ALA N N 68 120.100 120.222 -0.122 1
1 737 . 8 1 1 A 69 69 TYR H H 69 7.850 8.035 -0.185 1
1 738 . 8 1 1 A 69 69 TYR HA H 69 4.310 4.358 -0.048 1
1 741 . 8 1 1 A 69 69 TYR CA C 69 56.141 60.946 -4.805 1
1 742 . 8 1 1 A 69 69 TYR CB C 69 37.943 38.362 -0.419 1
1 743 . 8 1 1 A 69 69 TYR N N 69 118.930 116.006 2.924 1
1 744 . 8 1 1 A 70 70 HIS H H 70 7.960 8.073 -0.113 1
1 745 . 8 1 1 A 70 70 HIS HA H 70 4.510 4.270 0.240 1
1 748 . 8 1 1 A 70 70 HIS CA C 70 54.640 60.532 -5.892 1
1 749 . 8 1 1 A 70 70 HIS CB C 70 27.560 29.977 -2.417 1
1 750 . 8 1 1 A 70 70 HIS N N 70 125.790 119.644 6.146 1
1 751 . 8 1 1 A 71 71 ALA H H 71 9.190 9.120 0.070 1
1 752 . 8 1 1 A 71 71 ALA HA H 71 3.960 3.911 0.049 1
1 756 . 8 1 1 A 71 71 ALA C C 71 179.070 179.564 -0.494 1
1 757 . 8 1 1 A 71 71 ALA CA C 71 54.510 54.751 -0.241 1
1 758 . 8 1 1 A 71 71 ALA CB C 71 19.240 18.078 1.162 1
1 759 . 8 1 1 A 71 71 ALA N N 71 121.760 121.049 0.711 1
1 760 . 8 1 1 A 72 72 LYS H H 72 6.950 7.533 -0.583 1
1 761 . 8 1 1 A 72 72 LYS HA H 72 3.920 4.120 -0.200 1
1 770 . 8 1 1 A 72 72 LYS C C 72 176.750 179.152 -2.402 1
1 771 . 8 1 1 A 72 72 LYS CA C 72 57.690 58.898 -1.208 1
1 772 . 8 1 1 A 72 72 LYS CB C 72 31.720 32.772 -1.052 1
1 776 . 8 1 1 A 72 72 LYS N N 72 114.500 117.591 -3.091 1
1 777 . 8 1 1 A 73 73 HIS H H 73 7.140 8.428 -1.288 1
1 778 . 8 1 1 A 73 73 HIS HA H 73 4.830 4.153 0.677 1
1 781 . 8 1 1 A 73 73 HIS C C 73 173.590 176.016 -2.426 1
1 782 . 8 1 1 A 73 73 HIS CA C 73 54.070 60.161 -6.091 1
1 783 . 8 1 1 A 73 73 HIS CB C 73 29.640 30.033 -0.393 1
1 784 . 8 1 1 A 73 73 HIS N N 73 113.180 119.387 -6.207 1
1 785 . 8 1 1 A 74 74 CYS H H 74 7.020 7.872 -0.852 1
1 786 . 8 1 1 A 74 74 CYS HA H 74 4.140 4.332 -0.192 1
1 789 . 8 1 1 A 74 74 CYS C C 74 176.120 175.690 0.430 1
1 790 . 8 1 1 A 74 74 CYS CA C 74 59.829 58.645 1.184 1
1 791 . 8 1 1 A 74 74 CYS CB C 74 29.473 27.760 1.713 1
1 792 . 8 1 1 A 74 74 CYS N N 74 123.590 117.639 5.951 1
1 793 . 8 1 1 A 75 75 GLN H H 75 9.070 8.657 0.413 1
1 794 . 8 1 1 A 75 75 GLN HA H 75 4.705 4.333 0.372 1
1 798 . 8 1 1 A 75 75 GLN C C 75 175.620 175.324 0.296 1
1 799 . 8 1 1 A 75 75 GLN CA C 75 54.290 56.954 -2.664 1
1 800 . 8 1 1 A 75 75 GLN CB C 75 28.760 28.731 0.029 1
1 802 . 8 1 1 A 75 75 GLN N N 75 128.650 126.279 2.371 1
1 803 . 8 1 1 A 76 76 GLU H H 76 8.260 7.611 0.649 1
1 804 . 8 1 1 A 76 76 GLU HA H 76 4.410 4.836 -0.426 1
1 809 . 8 1 1 A 76 76 GLU C C 76 176.700 175.258 1.442 1
1 810 . 8 1 1 A 76 76 GLU CA C 76 55.510 55.086 0.424 1
1 811 . 8 1 1 A 76 76 GLU CB C 76 29.860 32.951 -3.091 1
1 813 . 8 1 1 A 76 76 GLU N N 76 123.000 120.953 2.047 1
1 814 . 8 1 1 A 77 77 ASN H H 77 8.830 8.571 0.259 1
1 815 . 8 1 1 A 77 77 ASN HA H 77 4.530 4.693 -0.163 1
1 818 . 8 1 1 A 77 77 ASN C C 77 175.700 175.816 -0.116 1
1 819 . 8 1 1 A 77 77 ASN CA C 77 55.030 52.120 2.910 1
1 820 . 8 1 1 A 77 77 ASN CB C 77 38.030 37.845 0.185 1
1 821 . 8 1 1 A 77 77 ASN N N 77 125.100 123.953 1.147 1
1 822 . 8 1 1 A 78 78 LYS H H 78 8.660 8.395 0.265 1
1 823 . 8 1 1 A 78 78 LYS HA H 78 4.440 3.919 0.521 1
1 832 . 8 1 1 A 78 78 LYS C C 78 174.930 176.176 -1.246 1
1 833 . 8 1 1 A 78 78 LYS CA C 78 54.120 59.200 -5.080 1
1 834 . 8 1 1 A 78 78 LYS CB C 78 30.120 32.452 -2.332 1
1 838 . 8 1 1 A 78 78 LYS N N 78 120.580 125.485 -4.905 1
1 839 . 8 1 1 A 79 79 CYS H H 79 7.320 7.728 -0.408 1
1 840 . 8 1 1 A 79 79 CYS HA H 79 4.160 4.486 -0.326 1
1 843 . 8 1 1 A 79 79 CYS C C 79 176.230 174.691 1.539 1
1 844 . 8 1 1 A 79 79 CYS CA C 79 60.480 60.083 0.397 1
1 845 . 8 1 1 A 79 79 CYS CB C 79 28.440 28.030 0.410 1
1 846 . 8 1 1 A 79 79 CYS N N 79 124.350 113.887 10.463 1
1 847 . 8 1 1 A 80 80 PRO HA H 80 4.730 4.339 0.391 1
1 854 . 8 1 1 A 80 80 PRO CA C 80 62.580 64.819 -2.239 1
1 855 . 8 1 1 A 80 80 PRO CB C 80 31.540 31.567 -0.027 1
1 858 . 8 1 1 A 81 81 VAL H H 81 9.030 7.786 1.244 1
1 859 . 8 1 1 A 81 81 VAL HA H 81 3.570 4.070 -0.500 1
1 867 . 8 1 1 A 81 81 VAL CA C 81 62.220 61.076 1.144 1
1 868 . 8 1 1 A 81 81 VAL CB C 81 30.990 31.821 -0.831 1
1 871 . 8 1 1 A 81 81 VAL N N 81 127.570 119.560 8.010 1
1 872 . 8 1 1 A 82 82 PRO HA H 82 4.860 4.183 0.677 1
1 879 . 8 1 1 A 82 82 PRO CA C 82 62.860 65.486 -2.626 1
1 880 . 8 1 1 A 82 82 PRO CB C 82 31.550 31.245 0.305 1
1 883 . 8 1 1 A 83 83 PHE H H 83 6.940 6.626 0.314 1
1 884 . 8 1 1 A 83 83 PHE HA H 83 4.460 4.251 0.209 1
1 887 . 8 1 1 A 83 83 PHE C C 83 177.240 178.309 -1.069 1
1 888 . 8 1 1 A 83 83 PHE CA C 83 59.880 60.822 -0.942 1
1 889 . 8 1 1 A 83 83 PHE CB C 83 37.550 38.316 -0.766 1
1 890 . 8 1 1 A 83 83 PHE N N 83 123.530 117.080 6.450 1
1 891 . 8 1 1 A 84 84 CYS H H 84 7.020 8.280 -1.260 1
1 892 . 8 1 1 A 84 84 CYS HA H 84 4.100 4.228 -0.128 1
1 895 . 8 1 1 A 84 84 CYS CA C 84 66.560 62.278 4.282 1
1 896 . 8 1 1 A 84 84 CYS CB C 84 29.770 27.136 2.634 1
1 897 . 8 1 1 A 84 84 CYS N N 84 111.010 118.269 -7.259 1
1 898 . 8 1 1 A 85 85 LEU H H 85 8.190 7.902 0.288 1
1 899 . 8 1 1 A 85 85 LEU HA H 85 4.130 3.927 0.203 1
1 908 . 8 1 1 A 85 85 LEU C C 85 178.700 179.613 -0.913 1
1 909 . 8 1 1 A 85 85 LEU CA C 85 57.450 58.008 -0.558 1
1 910 . 8 1 1 A 85 85 LEU CB C 85 41.720 41.415 0.305 1
1 914 . 8 1 1 A 85 85 LEU N N 85 120.080 121.316 -1.236 1
1 915 . 8 1 1 A 86 86 ASN H H 86 7.740 7.974 -0.234 1
1 916 . 8 1 1 A 86 86 ASN HA H 86 4.530 4.589 -0.059 1
1 919 . 8 1 1 A 86 86 ASN C C 86 177.040 176.632 0.408 1
1 920 . 8 1 1 A 86 86 ASN CA C 86 55.510 56.035 -0.525 1
1 921 . 8 1 1 A 86 86 ASN CB C 86 38.650 38.544 0.106 1
1 922 . 8 1 1 A 86 86 ASN N N 86 115.410 118.396 -2.986 1
1 923 . 8 1 1 A 87 87 ILE H H 87 8.190 7.923 0.267 1
1 924 . 8 1 1 A 87 87 ILE HA H 87 3.960 3.954 0.006 1
1 934 . 8 1 1 A 87 87 ILE C C 87 177.980 178.220 -0.240 1
1 935 . 8 1 1 A 87 87 ILE CA C 87 63.050 63.571 -0.521 1
1 936 . 8 1 1 A 87 87 ILE CB C 87 36.950 38.316 -1.366 1
1 940 . 8 1 1 A 87 87 ILE N N 87 120.100 119.083 1.017 1
1 941 . 8 1 1 A 88 88 LYS H H 88 8.300 9.238 -0.938 1
1 942 . 8 1 1 A 88 88 LYS HA H 88 4.160 3.998 0.162 1
1 949 . 8 1 1 A 88 88 LYS C C 88 179.730 178.598 1.132 1
1 950 . 8 1 1 A 88 88 LYS CA C 88 59.030 59.585 -0.555 1
1 951 . 8 1 1 A 88 88 LYS CB C 88 27.530 32.622 -5.092 1
1 953 . 8 1 1 A 88 88 LYS N N 88 118.760 119.939 -1.179 1
1 954 . 8 1 1 A 89 89 GLN H H 89 8.730 7.571 1.159 1
1 955 . 8 1 1 A 89 89 GLN HA H 89 4.440 4.276 0.164 1
1 958 . 8 1 1 A 89 89 GLN CA C 89 56.350 56.663 -0.313 1
1 959 . 8 1 1 A 89 89 GLN CB C 89 27.750 29.450 -1.700 1
1 961 . 8 1 1 A 89 89 GLN N N 89 122.660 117.689 4.971 1
1 978 . 8 2 2 B 2 2 GLU C C 2 176.270 176.501 -0.231 1
1 979 . 8 2 2 B 2 2 GLU CA C 2 56.070 59.209 -3.139 1
1 980 . 8 2 2 B 2 2 GLU CB C 2 29.100 29.861 -0.761 1
1 981 . 8 2 2 B 3 3 GLU HA H 3 4.650 4.396 0.254 1
1 986 . 8 2 2 B 3 3 GLU C C 3 176.270 177.023 -0.753 1
1 987 . 8 2 2 B 3 3 GLU CA C 3 53.970 57.599 -3.629 1
1 988 . 8 2 2 B 3 3 GLU CB C 3 29.200 32.184 -2.984 1
1 990 . 8 2 2 B 4 4 PRO HA H 4 4.510 4.303 0.207 1
1 997 . 8 2 2 B 4 4 PRO C C 4 181.100 176.777 4.323 1
1 998 . 8 2 2 B 4 4 PRO CA C 4 62.900 64.607 -1.707 1
1 999 . 8 2 2 B 4 4 PRO CB C 4 31.402 31.705 -0.303 1
1 1002 . 8 2 2 B 5 5 GLN H H 5 8.530 7.907 0.623 1
1 1003 . 8 2 2 B 5 5 GLN HA H 5 4.430 4.078 0.352 1
1 1007 . 8 2 2 B 5 5 GLN C C 5 176.100 175.530 0.570 1
1 1008 . 8 2 2 B 5 5 GLN CA C 5 53.450 57.561 -4.111 1
1 1009 . 8 2 2 B 5 5 GLN CB C 5 28.990 26.373 2.617 1
1 1011 . 8 2 2 B 5 5 GLN N N 5 120.510 115.876 4.634 1
1 1012 . 8 2 2 B 6 6 SER H H 6 8.330 7.980 0.350 1
1 1013 . 8 2 2 B 6 6 SER HA H 6 4.500 4.366 0.134 1
1 1015 . 8 2 2 B 6 6 SER C C 6 173.920 174.072 -0.152 1
1 1016 . 8 2 2 B 6 6 SER CA C 6 57.860 59.035 -1.175 1
1 1017 . 8 2 2 B 6 6 SER CB C 6 63.230 63.769 -0.539 1
1 1018 . 8 2 2 B 6 6 SER N N 6 117.080 114.395 2.685 1
1 1019 . 8 2 2 B 7 7 ASP H H 7 8.380 8.843 -0.463 1
1 1020 . 8 2 2 B 7 7 ASP HA H 7 4.960 4.568 0.392 1
1 1023 . 8 2 2 B 7 7 ASP C C 7 174.780 177.015 -2.235 1
1 1024 . 8 2 2 B 7 7 ASP CA C 7 51.960 58.026 -6.066 1
1 1025 . 8 2 2 B 7 7 ASP CB C 7 40.850 40.873 -0.023 1
1 1026 . 8 2 2 B 7 7 ASP N N 7 123.030 125.075 -2.045 1
1 1027 . 8 2 2 B 8 8 PRO HA H 8 4.450 4.338 0.112 1
1 1034 . 8 2 2 B 8 8 PRO C C 8 177.080 177.544 -0.464 1
1 1035 . 8 2 2 B 8 8 PRO CA C 8 63.520 65.632 -2.112 1
1 1036 . 8 2 2 B 8 8 PRO CB C 8 31.612 30.808 0.804 1
1 1039 . 8 2 2 B 9 9 SER H H 9 8.520 8.314 0.206 1
1 1040 . 8 2 2 B 9 9 SER HA H 9 4.450 4.619 -0.169 1
1 1042 . 8 2 2 B 9 9 SER C C 9 174.420 174.306 0.114 1
1 1043 . 8 2 2 B 9 9 SER CA C 9 58.590 59.075 -0.485 1
1 1044 . 8 2 2 B 9 9 SER CB C 9 63.330 64.105 -0.775 1
1 1045 . 8 2 2 B 9 9 SER N N 9 116.010 112.012 3.998 1
1 1046 . 8 2 2 B 10 10 VAL H H 10 7.771 7.613 0.158 1
1 1047 . 8 2 2 B 10 10 VAL HA H 10 4.200 4.118 0.082 1
1 1055 . 8 2 2 B 10 10 VAL C C 10 174.430 174.688 -0.258 1
1 1056 . 8 2 2 B 10 10 VAL CA C 10 61.330 62.041 -0.711 1
1 1057 . 8 2 2 B 10 10 VAL CB C 10 32.340 30.674 1.666 1
1 1060 . 8 2 2 B 10 10 VAL N N 10 121.350 120.174 1.176 1
1 1061 . 8 2 2 B 11 11 GLU H H 11 8.000 8.618 -0.618 1
1 1062 . 8 2 2 B 11 11 GLU HA H 11 4.660 4.958 -0.298 1
1 1067 . 8 2 2 B 11 11 GLU C C 11 173.740 174.631 -0.891 1
1 1068 . 8 2 2 B 11 11 GLU CA C 11 53.130 53.331 -0.201 1
1 1069 . 8 2 2 B 11 11 GLU CB C 11 29.826 30.758 -0.932 1
1 1071 . 8 2 2 B 11 11 GLU N N 11 125.070 127.169 -2.099 1
1 1072 . 8 2 2 B 12 12 PRO HA H 12 4.520 4.446 0.074 1
1 1079 . 8 2 2 B 12 12 PRO CA C 12 63.570 63.218 0.352 1
1 1080 . 8 2 2 B 12 12 PRO CB C 12 31.350 31.712 -0.362 1
1 1083 . 8 2 2 B 13 13 PRO HA H 13 4.510 4.492 0.018 1
1 1090 . 8 2 2 B 13 13 PRO C C 13 175.980 177.282 -1.302 1
1 1091 . 8 2 2 B 13 13 PRO CB C 13 31.720 32.245 -0.525 1
1 1094 . 8 2 2 B 14 14 LEU H H 14 7.900 8.918 -1.018 1
1 1095 . 8 2 2 B 14 14 LEU HA H 14 4.480 4.482 -0.002 1
1 1101 . 8 2 2 B 14 14 LEU C C 14 177.260 177.126 0.134 1
1 1102 . 8 2 2 B 14 14 LEU CA C 14 52.290 54.543 -2.253 1
1 1103 . 8 2 2 B 14 14 LEU CB C 14 41.270 42.327 -1.057 1
1 1106 . 8 2 2 B 14 14 LEU N N 14 120.860 122.249 -1.389 1
1 1107 . 8 2 2 B 15 15 SER H H 15 8.620 8.249 0.371 1
1 1108 . 8 2 2 B 15 15 SER HA H 15 4.510 4.552 -0.042 1
1 1111 . 8 2 2 B 15 15 SER C C 15 175.040 174.684 0.356 1
1 1112 . 8 2 2 B 15 15 SER CA C 15 57.330 59.918 -2.588 1
1 1113 . 8 2 2 B 15 15 SER CB C 15 63.960 62.877 1.083 1
1 1114 . 8 2 2 B 15 15 SER N N 15 117.360 113.706 3.654 1
1 1115 . 8 2 2 B 16 16 GLN H H 16 8.700 8.047 0.653 1
1 1116 . 8 2 2 B 16 16 GLN HA H 16 4.400 4.766 -0.366 1
1 1120 . 8 2 2 B 16 16 GLN C C 16 176.280 176.383 -0.103 1
1 1121 . 8 2 2 B 16 16 GLN CA C 16 56.170 55.288 0.882 1
1 1122 . 8 2 2 B 16 16 GLN CB C 16 29.310 29.371 -0.061 1
1 1124 . 8 2 2 B 16 16 GLN N N 16 122.480 118.124 4.356 1
1 1125 . 8 2 2 B 18 18 THR H H 18 7.860 8.381 -0.521 1
1 1126 . 8 2 2 B 18 18 THR HA H 18 4.080 3.984 0.096 1
1 1131 . 8 2 2 B 18 18 THR C C 18 175.900 176.508 -0.608 1
1 1132 . 8 2 2 B 18 18 THR CA C 18 66.280 66.562 -0.282 1
1 1133 . 8 2 2 B 18 18 THR CB C 18 67.550 68.486 -0.936 1
1 1135 . 8 2 2 B 18 18 THR N N 18 116.790 114.866 1.924 1
1 1136 . 8 2 2 B 19 19 PHE H H 19 8.640 8.580 0.060 1
1 1137 . 8 2 2 B 19 19 PHE HA H 19 4.340 4.361 -0.021 1
1 1140 . 8 2 2 B 19 19 PHE C C 19 176.340 178.416 -2.076 1
1 1141 . 8 2 2 B 19 19 PHE CA C 19 59.680 61.399 -1.719 1
1 1142 . 8 2 2 B 19 19 PHE CB C 19 38.070 39.179 -1.109 1
1 1143 . 8 2 2 B 19 19 PHE N N 19 120.710 120.907 -0.197 1
1 1144 . 8 2 2 B 20 20 SER H H 20 8.260 9.211 -0.951 1
1 1145 . 8 2 2 B 20 20 SER C C 20 176.100 176.676 -0.576 1
1 1146 . 8 2 2 B 20 20 SER CA C 20 61.280 61.791 -0.511 1
1 1147 . 8 2 2 B 20 20 SER CB C 20 61.980 63.267 -1.287 1
1 1148 . 8 2 2 B 20 20 SER N N 20 114.000 114.599 -0.599 1
1 1149 . 8 2 2 B 21 21 ASP H H 21 7.660 8.016 -0.356 1
1 1150 . 8 2 2 B 21 21 ASP HA H 21 4.520 4.315 0.205 1
1 1153 . 8 2 2 B 21 21 ASP C C 21 177.890 178.791 -0.901 1
1 1154 . 8 2 2 B 21 21 ASP CA C 21 56.070 57.259 -1.189 1
1 1155 . 8 2 2 B 21 21 ASP CB C 21 40.020 40.451 -0.431 1
1 1156 . 8 2 2 B 21 21 ASP N N 21 120.570 121.150 -0.580 1
1 1157 . 8 2 2 B 22 22 LEU H H 22 7.990 8.069 -0.079 1
1 1158 . 8 2 2 B 22 22 LEU HA H 22 3.940 4.003 -0.063 1
1 1165 . 8 2 2 B 22 22 LEU C C 22 178.390 178.885 -0.495 1
1 1166 . 8 2 2 B 22 22 LEU CA C 22 57.440 58.445 -1.005 1
1 1167 . 8 2 2 B 22 22 LEU CB C 22 41.270 41.842 -0.572 1
1 1170 . 8 2 2 B 22 22 LEU N N 22 120.860 119.604 1.256 1
1 1171 . 8 2 2 B 23 23 TRP H H 23 8.920 8.038 0.882 1
1 1172 . 8 2 2 B 23 23 TRP HA H 23 4.200 4.644 -0.444 1
1 1175 . 8 2 2 B 23 23 TRP C C 23 178.090 177.264 0.826 1
1 1176 . 8 2 2 B 23 23 TRP CA C 23 59.310 58.396 0.914 1
1 1177 . 8 2 2 B 23 23 TRP CB C 23 28.550 29.242 -0.692 1
1 1178 . 8 2 2 B 23 23 TRP N N 23 119.580 116.587 2.993 1
1 1179 . 8 2 2 B 24 24 LYS H H 24 7.380 6.883 0.497 1
1 1180 . 8 2 2 B 24 24 LYS HA H 24 4.090 3.766 0.324 1
1 1189 . 8 2 2 B 24 24 LYS C C 24 177.360 177.566 -0.206 1
1 1190 . 8 2 2 B 24 24 LYS CA C 24 57.750 56.725 1.025 1
1 1191 . 8 2 2 B 24 24 LYS CB C 24 31.980 32.188 -0.208 1
1 1195 . 8 2 2 B 24 24 LYS N N 24 116.010 118.160 -2.150 1
1 1196 . 8 2 2 B 25 25 LEU H H 25 7.700 7.631 0.069 1
1 1197 . 8 2 2 B 25 25 LEU HA H 25 4.330 4.435 -0.105 1
1 1207 . 8 2 2 B 25 25 LEU C C 25 177.290 176.252 1.038 1
1 1208 . 8 2 2 B 25 25 LEU CA C 25 54.920 53.973 0.947 1
1 1209 . 8 2 2 B 25 25 LEU CB C 25 42.220 41.401 0.819 1
1 1213 . 8 2 2 B 25 25 LEU N N 25 118.160 117.168 0.992 1
1 1214 . 8 2 2 B 26 26 LEU H H 26 7.350 7.210 0.140 1
1 1215 . 8 2 2 B 26 26 LEU HA H 26 4.540 4.698 -0.158 1
1 1225 . 8 2 2 B 26 26 LEU C C 26 175.090 176.751 -1.661 1
1 1226 . 8 2 2 B 26 26 LEU CA C 26 53.130 53.087 0.043 1
1 1227 . 8 2 2 B 26 26 LEU CB C 26 40.650 41.588 -0.938 1
1 1231 . 8 2 2 B 26 26 LEU N N 26 120.260 118.968 1.292 1
1 1232 . 8 2 2 B 27 27 PRO HA H 27 4.550 4.392 0.158 1
1 1239 . 8 2 2 B 27 27 PRO C C 27 177.410 177.266 0.144 1
1 1240 . 8 2 2 B 27 27 PRO CA C 27 62.420 65.001 -2.581 1
1 1241 . 8 2 2 B 27 27 PRO CB C 27 31.080 31.803 -0.723 1
1 1244 . 8 2 2 B 28 28 GLU H H 28 8.670 7.744 0.926 1
1 1245 . 8 2 2 B 28 28 GLU HA H 28 4.210 4.424 -0.214 1
1 1250 . 8 2 2 B 28 28 GLU C C 28 176.540 176.035 0.505 1
1 1251 . 8 2 2 B 28 28 GLU CA C 28 57.020 56.886 0.134 1
1 1252 . 8 2 2 B 28 28 GLU CB C 28 28.980 31.451 -2.471 1
1 1254 . 8 2 2 B 28 28 GLU N N 28 119.490 112.805 6.685 1
1 1255 . 8 2 2 B 29 29 ASN H H 29 8.220 8.025 0.195 1
1 1256 . 8 2 2 B 29 29 ASN HA H 29 4.720 4.953 -0.233 1
1 1259 . 8 2 2 B 29 29 ASN C C 29 174.980 173.900 1.080 1
1 1260 . 8 2 2 B 29 29 ASN CA C 29 53.130 52.287 0.843 1
1 1261 . 8 2 2 B 29 29 ASN CB C 29 38.350 38.969 -0.619 1
1 1262 . 8 2 2 B 29 29 ASN N N 29 118.090 119.722 -1.632 1
1 1263 . 8 2 2 B 30 30 ASN H H 30 8.260 8.972 -0.712 1
1 1264 . 8 2 2 B 30 30 ASN HA H 30 4.740 5.105 -0.365 1
1 1267 . 8 2 2 B 30 30 ASN C C 30 175.120 174.653 0.467 1
1 1268 . 8 2 2 B 30 30 ASN CA C 30 53.230 52.903 0.327 1
1 1269 . 8 2 2 B 30 30 ASN CB C 30 38.550 39.568 -1.018 1
1 1270 . 8 2 2 B 30 30 ASN N N 30 118.720 125.215 -6.495 1
1 1271 . 8 2 2 B 31 31 VAL H H 31 8.010 8.943 -0.933 1
1 1272 . 8 2 2 B 31 31 VAL HA H 31 4.150 4.391 -0.241 1
1 1277 . 8 2 2 B 31 31 VAL C C 31 175.990 175.525 0.465 1
1 1278 . 8 2 2 B 31 31 VAL CA C 31 62.270 61.828 0.442 1
1 1279 . 8 2 2 B 31 31 VAL CB C 31 31.820 33.238 -1.418 1
1 1281 . 8 2 2 B 31 31 VAL N N 31 118.920 124.438 -5.518 1
1 1282 . 8 2 2 B 32 32 LEU H H 32 8.190 8.490 -0.300 1
1 1283 . 8 2 2 B 32 32 LEU HA H 32 4.420 4.297 0.123 1
1 1292 . 8 2 2 B 32 32 LEU C C 32 176.960 176.791 0.169 1
1 1293 . 8 2 2 B 32 32 LEU CA C 32 54.490 55.027 -0.537 1
1 1294 . 8 2 2 B 32 32 LEU CB C 32 41.800 42.555 -0.755 1
1 1298 . 8 2 2 B 32 32 LEU N N 32 123.760 127.143 -3.383 1
1 1299 . 8 2 2 B 33 33 SER H H 33 7.920 7.585 0.335 1
1 1300 . 8 2 2 B 33 33 SER HA H 33 4.790 4.340 0.450 1
1 1303 . 8 2 2 B 33 33 SER C C 33 172.710 173.506 -0.796 1
1 1304 . 8 2 2 B 33 33 SER CA C 33 55.970 56.970 -1.000 1
1 1305 . 8 2 2 B 33 33 SER CB C 33 63.020 63.508 -0.488 1
1 1306 . 8 2 2 B 33 33 SER N N 33 117.150 115.918 1.232 1
1 1307 . 8 2 2 B 34 34 PRO HA H 34 4.510 4.572 -0.062 1
1 1314 . 8 2 2 B 34 34 PRO C C 34 176.750 175.755 0.995 1
1 1315 . 8 2 2 B 34 34 PRO CA C 34 62.690 63.075 -0.385 1
1 1316 . 8 2 2 B 34 34 PRO CB C 34 31.420 32.294 -0.874 1
1 1319 . 8 2 2 B 35 35 LEU H H 35 8.200 8.254 -0.054 1
1 1320 . 8 2 2 B 35 35 LEU HA H 35 4.620 4.898 -0.278 1
1 1326 . 8 2 2 B 35 35 LEU C C 35 175.560 174.867 0.693 1
1 1327 . 8 2 2 B 35 35 LEU CA C 35 52.710 51.127 1.583 1
1 1328 . 8 2 2 B 35 35 LEU CB C 35 41.280 41.794 -0.514 1
1 1331 . 8 2 2 B 35 35 LEU N N 35 123.000 123.141 -0.141 1
1 1332 . 8 2 2 B 36 36 PRO HA H 36 4.850 4.533 0.317 1
1 1339 . 8 2 2 B 36 36 PRO C C 36 176.970 177.818 -0.848 1
1 1340 . 8 2 2 B 36 36 PRO CA C 36 62.690 63.008 -0.318 1
1 1341 . 8 2 2 B 36 36 PRO CB C 36 31.420 32.650 -1.230 1
1 1344 . 8 2 2 B 37 37 SER H H 37 8.280 8.720 -0.440 1
1 1345 . 8 2 2 B 37 37 SER HA H 37 4.520 4.101 0.419 1
1 1347 . 8 2 2 B 37 37 SER C C 37 174.580 174.796 -0.216 1
1 1348 . 8 2 2 B 37 37 SER CA C 37 55.870 61.585 -5.715 1
1 1349 . 8 2 2 B 37 37 SER CB C 37 63.360 63.402 -0.042 1
1 1350 . 8 2 2 B 37 37 SER N N 37 115.170 118.601 -3.431 1
1 1351 . 8 2 2 B 38 38 GLN H H 38 8.310 7.611 0.699 1
1 1352 . 8 2 2 B 38 38 GLN HA H 38 4.410 4.731 -0.321 1
1 1356 . 8 2 2 B 38 38 GLN C C 38 174.650 174.839 -0.189 1
1 1357 . 8 2 2 B 38 38 GLN CA C 38 55.550 54.873 0.677 1
1 1358 . 8 2 2 B 38 38 GLN CB C 38 29.190 30.623 -1.433 1
1 1360 . 8 2 2 B 38 38 GLN N N 38 122.270 120.107 2.163 1
1 1 . 9 1 1 A 2 2 THR C C 2 174.280 175.241 -0.961 1
1 2 . 9 1 1 A 2 2 THR CA C 2 61.820 65.690 -3.870 1
1 3 . 9 1 1 A 2 2 THR CB C 2 69.660 68.529 1.131 1
1 4 . 9 1 1 A 3 3 GLN H H 3 8.502 7.677 0.825 1
1 5 . 9 1 1 A 3 3 GLN HA H 3 4.485 4.121 0.364 1
1 9 . 9 1 1 A 3 3 GLN C C 3 175.680 176.269 -0.589 1
1 10 . 9 1 1 A 3 3 GLN CA C 3 55.490 57.238 -1.748 1
1 11 . 9 1 1 A 3 3 GLN CB C 3 28.570 29.138 -0.568 1
1 13 . 9 1 1 A 3 3 GLN N N 3 123.346 123.444 -0.098 1
1 14 . 9 1 1 A 4 4 SER H H 4 8.586 8.460 0.126 1
1 15 . 9 1 1 A 4 4 SER HA H 4 4.860 4.798 0.062 1
1 18 . 9 1 1 A 4 4 SER C C 4 173.240 173.357 -0.117 1
1 19 . 9 1 1 A 4 4 SER CA C 4 56.280 55.995 0.285 1
1 20 . 9 1 1 A 4 4 SER CB C 4 63.080 65.184 -2.104 1
1 21 . 9 1 1 A 4 4 SER N N 4 119.430 116.886 2.544 1
1 22 . 9 1 1 A 5 5 PRO HA H 5 4.490 4.216 0.274 1
1 29 . 9 1 1 A 5 5 PRO C C 5 178.020 178.408 -0.388 1
1 30 . 9 1 1 A 5 5 PRO CA C 5 63.740 65.319 -1.579 1
1 31 . 9 1 1 A 5 5 PRO CB C 5 30.120 31.681 -1.561 1
1 34 . 9 1 1 A 6 6 GLY H H 6 8.420 8.455 -0.035 1
1 35 . 9 1 1 A 6 6 GLY HA3 H 6 3.980 3.866 0.114 1
1 36 . 9 1 1 A 6 6 GLY C C 6 174.600 175.297 -0.697 1
1 37 . 9 1 1 A 6 6 GLY CA C 6 45.580 46.747 -1.167 1
1 38 . 9 1 1 A 6 6 GLY N N 6 108.250 105.397 2.853 1
1 39 . 9 1 1 A 7 7 ASP H H 7 8.080 8.373 -0.293 1
1 40 . 9 1 1 A 7 7 ASP HA H 7 4.660 4.470 0.190 1
1 42 . 9 1 1 A 7 7 ASP C C 7 177.440 178.342 -0.902 1
1 43 . 9 1 1 A 7 7 ASP CA C 7 54.960 56.256 -1.296 1
1 44 . 9 1 1 A 7 7 ASP CB C 7 40.740 40.767 -0.027 1
1 45 . 9 1 1 A 7 7 ASP N N 7 121.210 121.952 -0.742 1
1 46 . 9 1 1 A 8 8 SER H H 8 8.363 8.085 0.278 1
1 47 . 9 1 1 A 8 8 SER HA H 8 4.330 4.181 0.149 1
1 49 . 9 1 1 A 8 8 SER C C 8 177.520 177.243 0.277 1
1 50 . 9 1 1 A 8 8 SER CA C 8 59.990 61.167 -1.177 1
1 51 . 9 1 1 A 8 8 SER CB C 8 62.540 63.129 -0.589 1
1 52 . 9 1 1 A 8 8 SER N N 8 117.020 114.800 2.220 1
1 53 . 9 1 1 A 9 9 ARG H H 9 8.270 8.482 -0.212 1
1 54 . 9 1 1 A 9 9 ARG HA H 9 4.820 4.139 0.681 1
1 59 . 9 1 1 A 9 9 ARG C C 9 177.800 178.926 -1.126 1
1 60 . 9 1 1 A 9 9 ARG CA C 9 58.170 58.966 -0.796 1
1 61 . 9 1 1 A 9 9 ARG CB C 9 29.490 29.788 -0.298 1
1 64 . 9 1 1 A 9 9 ARG N N 9 123.050 121.796 1.254 1
1 65 . 9 1 1 A 10 10 ARG H H 10 8.030 7.409 0.621 1
1 66 . 9 1 1 A 10 10 ARG HA H 10 4.100 4.029 0.071 1
1 73 . 9 1 1 A 10 10 ARG C C 10 177.900 178.727 -0.827 1
1 74 . 9 1 1 A 10 10 ARG CA C 10 57.100 58.925 -1.825 1
1 75 . 9 1 1 A 10 10 ARG CB C 10 29.490 29.815 -0.325 1
1 78 . 9 1 1 A 10 10 ARG N N 10 119.730 118.985 0.745 1
1 79 . 9 1 1 A 11 11 LEU H H 11 8.100 8.224 -0.124 1
1 80 . 9 1 1 A 11 11 LEU HA H 11 4.220 4.112 0.108 1
1 87 . 9 1 1 A 11 11 LEU C C 11 178.600 179.250 -0.650 1
1 88 . 9 1 1 A 11 11 LEU CA C 11 57.100 56.907 0.193 1
1 89 . 9 1 1 A 11 11 LEU CB C 11 41.270 41.778 -0.508 1
1 92 . 9 1 1 A 11 11 LEU N N 11 120.770 120.391 0.379 1
1 93 . 9 1 1 A 12 12 SER H H 12 8.052 8.309 -0.257 1
1 94 . 9 1 1 A 12 12 SER HA H 12 4.250 4.203 0.047 1
1 97 . 9 1 1 A 12 12 SER C C 12 178.790 176.589 2.201 1
1 98 . 9 1 1 A 12 12 SER CA C 12 60.960 61.434 -0.474 1
1 99 . 9 1 1 A 12 12 SER CB C 12 62.580 62.944 -0.364 1
1 100 . 9 1 1 A 12 12 SER N N 12 115.760 114.314 1.446 1
1 101 . 9 1 1 A 13 13 ILE H H 13 8.000 7.741 0.259 1
1 102 . 9 1 1 A 13 13 ILE HA H 13 3.730 3.805 -0.075 1
1 112 . 9 1 1 A 13 13 ILE C C 13 179.740 178.006 1.734 1
1 113 . 9 1 1 A 13 13 ILE CA C 13 64.920 64.448 0.472 1
1 114 . 9 1 1 A 13 13 ILE CB C 13 37.200 37.318 -0.118 1
1 118 . 9 1 1 A 13 13 ILE N N 13 123.290 118.848 4.442 1
1 119 . 9 1 1 A 14 14 GLN H H 14 8.110 8.125 -0.015 1
1 120 . 9 1 1 A 14 14 GLN HA H 14 4.030 3.919 0.111 1
1 124 . 9 1 1 A 14 14 GLN C C 14 178.850 179.024 -0.174 1
1 125 . 9 1 1 A 14 14 GLN CA C 14 59.170 59.120 0.050 1
1 126 . 9 1 1 A 14 14 GLN CB C 14 27.810 28.336 -0.526 1
1 128 . 9 1 1 A 14 14 GLN N N 14 119.020 120.783 -1.763 1
1 129 . 9 1 1 A 15 15 ARG H H 15 8.360 7.751 0.609 1
1 130 . 9 1 1 A 15 15 ARG HA H 15 3.980 4.004 -0.024 1
1 137 . 9 1 1 A 15 15 ARG C C 15 177.020 178.790 -1.770 1
1 138 . 9 1 1 A 15 15 ARG CA C 15 59.030 59.058 -0.028 1
1 139 . 9 1 1 A 15 15 ARG CB C 15 29.460 30.233 -0.773 1
1 142 . 9 1 1 A 15 15 ARG N N 15 118.820 118.825 -0.005 1
1 143 . 9 1 1 A 16 16 ALA H H 16 8.000 7.854 0.146 1
1 144 . 9 1 1 A 16 16 ALA HA H 16 4.230 4.080 0.150 1
1 148 . 9 1 1 A 16 16 ALA C C 16 179.750 180.008 -0.258 1
1 149 . 9 1 1 A 16 16 ALA CA C 16 55.190 54.999 0.191 1
1 150 . 9 1 1 A 16 16 ALA CB C 16 18.020 18.265 -0.245 1
1 151 . 9 1 1 A 16 16 ALA N N 16 123.800 121.692 2.108 1
1 152 . 9 1 1 A 17 17 ILE H H 17 8.490 9.218 -0.728 1
1 153 . 9 1 1 A 17 17 ILE HA H 17 3.760 3.549 0.211 1
1 163 . 9 1 1 A 17 17 ILE C C 17 178.300 178.185 0.115 1
1 164 . 9 1 1 A 17 17 ILE CA C 17 64.710 65.562 -0.852 1
1 165 . 9 1 1 A 17 17 ILE CB C 17 36.560 37.552 -0.992 1
1 169 . 9 1 1 A 17 17 ILE N N 17 118.260 118.951 -0.691 1
1 170 . 9 1 1 A 18 18 GLN H H 18 8.230 8.922 -0.692 1
1 171 . 9 1 1 A 18 18 GLN HA H 18 4.110 3.958 0.152 1
1 175 . 9 1 1 A 18 18 GLN C C 18 178.950 178.044 0.906 1
1 176 . 9 1 1 A 18 18 GLN CA C 18 59.030 58.906 0.124 1
1 177 . 9 1 1 A 18 18 GLN CB C 18 27.540 28.109 -0.569 1
1 179 . 9 1 1 A 18 18 GLN N N 18 118.800 118.460 0.340 1
1 180 . 9 1 1 A 19 19 SER H H 19 8.230 7.662 0.568 1
1 181 . 9 1 1 A 19 19 SER HA H 19 4.430 4.499 -0.069 1
1 184 . 9 1 1 A 19 19 SER C C 19 176.120 176.982 -0.862 1
1 185 . 9 1 1 A 19 19 SER CA C 19 61.600 61.245 0.355 1
1 186 . 9 1 1 A 19 19 SER CB C 19 62.580 62.953 -0.373 1
1 187 . 9 1 1 A 19 19 SER N N 19 116.040 115.344 0.696 1
1 188 . 9 1 1 A 20 20 LEU H H 20 8.250 9.388 -1.138 1
1 189 . 9 1 1 A 20 20 LEU HA H 20 4.090 4.074 0.016 1
1 199 . 9 1 1 A 20 20 LEU C C 20 177.180 178.598 -1.418 1
1 200 . 9 1 1 A 20 20 LEU CA C 20 58.390 58.066 0.324 1
1 201 . 9 1 1 A 20 20 LEU CB C 20 41.810 41.851 -0.041 1
1 205 . 9 1 1 A 20 20 LEU N N 20 125.460 123.174 2.286 1
1 206 . 9 1 1 A 21 21 VAL H H 21 8.520 9.143 -0.623 1
1 207 . 9 1 1 A 21 21 VAL HA H 21 3.340 3.516 -0.176 1
1 212 . 9 1 1 A 21 21 VAL C C 21 178.430 178.187 0.243 1
1 213 . 9 1 1 A 21 21 VAL CA C 21 66.510 66.511 -0.001 1
1 214 . 9 1 1 A 21 21 VAL CB C 21 31.270 31.464 -0.194 1
1 217 . 9 1 1 A 21 21 VAL N N 21 118.590 119.076 -0.486 1
1 218 . 9 1 1 A 22 22 HIS H H 22 7.950 7.879 0.071 1
1 219 . 9 1 1 A 22 22 HIS HA H 22 4.260 4.199 0.061 1
1 222 . 9 1 1 A 22 22 HIS C C 22 178.020 177.495 0.525 1
1 223 . 9 1 1 A 22 22 HIS CA C 22 59.770 59.701 0.069 1
1 224 . 9 1 1 A 22 22 HIS CB C 22 27.230 29.630 -2.400 1
1 225 . 9 1 1 A 22 22 HIS N N 22 115.760 119.171 -3.411 1
1 226 . 9 1 1 A 23 23 ALA H H 23 8.580 9.533 -0.953 1
1 227 . 9 1 1 A 23 23 ALA HA H 23 4.190 3.907 0.283 1
1 231 . 9 1 1 A 23 23 ALA C C 23 179.210 178.894 0.316 1
1 232 . 9 1 1 A 23 23 ALA CA C 23 54.420 54.758 -0.338 1
1 233 . 9 1 1 A 23 23 ALA CB C 23 19.010 17.878 1.132 1
1 234 . 9 1 1 A 23 23 ALA N N 23 121.190 120.809 0.381 1
1 235 . 9 1 1 A 24 24 ALA H H 24 8.240 8.097 0.143 1
1 236 . 9 1 1 A 24 24 ALA HA H 24 4.110 4.095 0.015 1
1 240 . 9 1 1 A 24 24 ALA C C 24 177.610 177.932 -0.322 1
1 241 . 9 1 1 A 24 24 ALA CA C 24 53.540 52.783 0.757 1
1 242 . 9 1 1 A 24 24 ALA CB C 24 18.060 18.944 -0.884 1
1 243 . 9 1 1 A 24 24 ALA N N 24 116.530 118.656 -2.126 1
1 244 . 9 1 1 A 25 25 GLN H H 25 7.230 7.722 -0.492 1
1 245 . 9 1 1 A 25 25 GLN HA H 25 4.540 4.430 0.110 1
1 250 . 9 1 1 A 25 25 GLN C C 25 174.530 176.285 -1.755 1
1 251 . 9 1 1 A 25 25 GLN CA C 25 54.400 56.311 -1.911 1
1 252 . 9 1 1 A 25 25 GLN CB C 25 30.090 31.247 -1.157 1
1 254 . 9 1 1 A 25 25 GLN N N 25 112.050 114.803 -2.753 1
1 255 . 9 1 1 A 26 26 CYS H H 26 7.320 8.566 -1.246 1
1 256 . 9 1 1 A 26 26 CYS HA H 26 3.920 4.457 -0.537 1
1 259 . 9 1 1 A 26 26 CYS C C 26 176.230 174.711 1.519 1
1 260 . 9 1 1 A 26 26 CYS CA C 26 60.480 57.572 2.908 1
1 261 . 9 1 1 A 26 26 CYS CB C 26 28.470 26.791 1.679 1
1 262 . 9 1 1 A 26 26 CYS N N 26 124.310 119.178 5.132 1
1 263 . 9 1 1 A 27 27 ARG H H 27 8.840 8.576 0.264 1
1 264 . 9 1 1 A 27 27 ARG HA H 27 4.650 4.372 0.278 1
1 271 . 9 1 1 A 27 27 ARG C C 27 175.270 176.229 -0.959 1
1 272 . 9 1 1 A 27 27 ARG CA C 27 54.320 55.161 -0.841 1
1 273 . 9 1 1 A 27 27 ARG CB C 27 29.490 28.540 0.950 1
1 276 . 9 1 1 A 27 27 ARG N N 27 129.620 128.179 1.441 1
1 277 . 9 1 1 A 28 28 ASN H H 28 7.930 7.681 0.249 1
1 278 . 9 1 1 A 28 28 ASN HA H 28 4.890 4.333 0.557 1
1 281 . 9 1 1 A 28 28 ASN C C 28 175.240 175.125 0.115 1
1 282 . 9 1 1 A 28 28 ASN CA C 28 51.540 56.374 -4.834 1
1 283 . 9 1 1 A 28 28 ASN CB C 28 38.460 39.089 -0.629 1
1 284 . 9 1 1 A 28 28 ASN N N 28 120.580 122.373 -1.793 1
1 285 . 9 1 1 A 29 29 ALA H H 29 9.100 7.884 1.216 1
1 286 . 9 1 1 A 29 29 ALA HA H 29 4.120 3.966 0.154 1
1 290 . 9 1 1 A 29 29 ALA C C 29 178.010 177.387 0.623 1
1 291 . 9 1 1 A 29 29 ALA CA C 29 54.040 55.190 -1.150 1
1 292 . 9 1 1 A 29 29 ALA CB C 29 18.020 16.939 1.081 1
1 293 . 9 1 1 A 29 29 ALA N N 29 130.290 120.634 9.656 1
1 294 . 9 1 1 A 30 30 ASN H H 30 8.080 8.221 -0.141 1
1 295 . 9 1 1 A 30 30 ASN HA H 30 4.900 4.839 0.061 1
1 298 . 9 1 1 A 30 30 ASN C C 30 174.150 174.830 -0.680 1
1 299 . 9 1 1 A 30 30 ASN CA C 30 51.490 53.398 -1.908 1
1 300 . 9 1 1 A 30 30 ASN CB C 30 38.200 38.978 -0.778 1
1 301 . 9 1 1 A 30 30 ASN N N 30 114.290 115.015 -0.725 1
1 302 . 9 1 1 A 31 31 CYS H H 31 7.170 7.391 -0.221 1
1 303 . 9 1 1 A 31 31 CYS HA H 31 4.079 4.306 -0.227 1
1 306 . 9 1 1 A 31 31 CYS C C 31 176.800 176.106 0.694 1
1 307 . 9 1 1 A 31 31 CYS CA C 31 61.430 59.977 1.453 1
1 308 . 9 1 1 A 31 31 CYS CB C 31 29.428 28.429 0.999 1
1 309 . 9 1 1 A 31 31 CYS N N 31 123.080 120.872 2.208 1
1 310 . 9 1 1 A 32 32 SER H H 32 8.740 8.839 -0.099 1
1 311 . 9 1 1 A 32 32 SER HA H 32 4.150 4.553 -0.403 1
1 314 . 9 1 1 A 32 32 SER C C 32 174.850 174.131 0.719 1
1 315 . 9 1 1 A 32 32 SER CA C 32 57.570 58.460 -0.890 1
1 316 . 9 1 1 A 32 32 SER CB C 32 63.540 63.778 -0.238 1
1 317 . 9 1 1 A 32 32 SER N N 32 124.210 120.569 3.641 1
1 318 . 9 1 1 A 33 33 LEU H H 33 8.520 7.208 1.312 1
1 319 . 9 1 1 A 33 33 LEU HA H 33 4.570 4.668 -0.098 1
1 329 . 9 1 1 A 33 33 LEU C C 33 176.850 175.938 0.912 1
1 330 . 9 1 1 A 33 33 LEU CA C 33 54.080 51.301 2.779 1
1 331 . 9 1 1 A 33 33 LEU CB C 33 40.420 41.754 -1.334 1
1 335 . 9 1 1 A 33 33 LEU N N 33 128.730 124.390 4.340 1
1 336 . 9 1 1 A 34 34 PRO HA H 34 4.360 4.353 0.007 1
1 343 . 9 1 1 A 34 34 PRO C C 34 178.380 178.141 0.239 1
1 344 . 9 1 1 A 34 34 PRO CA C 34 64.970 65.000 -0.030 1
1 345 . 9 1 1 A 34 34 PRO CB C 34 31.230 31.913 -0.683 1
1 348 . 9 1 1 A 35 35 SER H H 35 8.300 8.470 -0.170 1
1 349 . 9 1 1 A 35 35 SER HA H 35 4.320 4.237 0.083 1
1 352 . 9 1 1 A 35 35 SER C C 35 178.350 176.513 1.837 1
1 353 . 9 1 1 A 35 35 SER CA C 35 59.953 61.551 -1.598 1
1 354 . 9 1 1 A 35 35 SER CB C 35 62.470 62.931 -0.461 1
1 355 . 9 1 1 A 35 35 SER N N 35 111.680 112.872 -1.192 1
1 356 . 9 1 1 A 36 36 CYS H H 36 7.500 9.003 -1.503 1
1 357 . 9 1 1 A 36 36 CYS HA H 36 4.242 4.143 0.099 1
1 360 . 9 1 1 A 36 36 CYS C C 36 176.630 177.124 -0.494 1
1 361 . 9 1 1 A 36 36 CYS CA C 36 63.710 63.572 0.138 1
1 362 . 9 1 1 A 36 36 CYS CB C 36 29.170 27.522 1.648 1
1 363 . 9 1 1 A 36 36 CYS N N 36 125.580 120.201 5.379 1
1 364 . 9 1 1 A 37 37 GLN H H 37 8.170 7.813 0.357 1
1 365 . 9 1 1 A 37 37 GLN HA H 37 4.010 4.000 0.010 1
1 369 . 9 1 1 A 37 37 GLN C C 37 178.900 177.758 1.142 1
1 370 . 9 1 1 A 37 37 GLN CA C 37 59.580 58.758 0.822 1
1 371 . 9 1 1 A 37 37 GLN CB C 37 27.560 28.404 -0.844 1
1 373 . 9 1 1 A 37 37 GLN N N 37 116.020 120.294 -4.274 1
1 374 . 9 1 1 A 38 38 LYS H H 38 7.840 7.587 0.253 1
1 375 . 9 1 1 A 38 38 LYS HA H 38 4.079 4.149 -0.070 1
1 381 . 9 1 1 A 38 38 LYS C C 38 179.300 179.617 -0.317 1
1 382 . 9 1 1 A 38 38 LYS CA C 38 59.280 59.146 0.134 1
1 383 . 9 1 1 A 38 38 LYS CB C 38 32.120 31.988 0.132 1
1 387 . 9 1 1 A 38 38 LYS N N 38 117.000 119.774 -2.774 1
1 388 . 9 1 1 A 39 39 MET H H 39 8.270 8.389 -0.119 1
1 389 . 9 1 1 A 39 39 MET HA H 39 4.580 4.227 0.353 1
1 394 . 9 1 1 A 39 39 MET C C 39 179.710 178.900 0.810 1
1 395 . 9 1 1 A 39 39 MET CA C 39 56.330 58.644 -2.314 1
1 396 . 9 1 1 A 39 39 MET CB C 39 31.180 31.565 -0.385 1
1 398 . 9 1 1 A 39 39 MET N N 39 118.020 117.874 0.146 1
1 399 . 9 1 1 A 40 40 LYS H H 40 9.530 8.795 0.735 1
1 400 . 9 1 1 A 40 40 LYS HA H 40 3.860 4.021 -0.161 1
1 406 . 9 1 1 A 40 40 LYS C C 40 179.620 179.122 0.498 1
1 407 . 9 1 1 A 40 40 LYS CA C 40 61.360 59.904 1.456 1
1 408 . 9 1 1 A 40 40 LYS CB C 40 32.120 32.199 -0.079 1
1 412 . 9 1 1 A 40 40 LYS N N 40 122.280 119.325 2.955 1
1 413 . 9 1 1 A 41 41 ARG H H 41 7.560 7.630 -0.070 1
1 414 . 9 1 1 A 41 41 ARG HA H 41 4.200 4.131 0.069 1
1 421 . 9 1 1 A 41 41 ARG C C 41 179.650 178.895 0.755 1
1 422 . 9 1 1 A 41 41 ARG CA C 41 59.350 58.792 0.558 1
1 423 . 9 1 1 A 41 41 ARG CB C 41 29.300 29.930 -0.630 1
1 426 . 9 1 1 A 41 41 ARG N N 41 117.590 120.065 -2.475 1
1 427 . 9 1 1 A 42 42 VAL H H 42 7.570 7.523 0.047 1
1 428 . 9 1 1 A 42 42 VAL HA H 42 3.670 3.761 -0.091 1
1 436 . 9 1 1 A 42 42 VAL C C 42 177.480 178.432 -0.952 1
1 437 . 9 1 1 A 42 42 VAL CA C 42 66.420 66.197 0.223 1
1 438 . 9 1 1 A 42 42 VAL CB C 42 30.700 31.789 -1.089 1
1 441 . 9 1 1 A 42 42 VAL N N 42 121.450 119.809 1.641 1
1 442 . 9 1 1 A 43 43 VAL H H 43 8.450 8.819 -0.369 1
1 443 . 9 1 1 A 43 43 VAL HA H 43 3.540 3.637 -0.097 1
1 448 . 9 1 1 A 43 43 VAL C C 43 178.950 178.073 0.877 1
1 449 . 9 1 1 A 43 43 VAL CA C 43 66.940 66.575 0.365 1
1 450 . 9 1 1 A 43 43 VAL CB C 43 31.090 31.772 -0.682 1
1 452 . 9 1 1 A 43 43 VAL N N 43 120.380 120.754 -0.374 1
1 453 . 9 1 1 A 44 44 GLN H H 44 8.400 9.410 -1.010 1
1 454 . 9 1 1 A 44 44 GLN HA H 44 4.020 4.003 0.017 1
1 457 . 9 1 1 A 44 44 GLN C C 44 177.240 178.519 -1.279 1
1 458 . 9 1 1 A 44 44 GLN CA C 44 58.550 58.708 -0.158 1
1 459 . 9 1 1 A 44 44 GLN CB C 44 27.550 28.138 -0.588 1
1 461 . 9 1 1 A 44 44 GLN N N 44 119.280 117.750 1.530 1
1 462 . 9 1 1 A 45 45 HIS H H 45 8.070 7.892 0.178 1
1 463 . 9 1 1 A 45 45 HIS HA H 45 4.280 4.305 -0.025 1
1 465 . 9 1 1 A 45 45 HIS C C 45 177.800 177.198 0.602 1
1 466 . 9 1 1 A 45 45 HIS CA C 45 59.440 59.059 0.381 1
1 467 . 9 1 1 A 45 45 HIS CB C 45 26.760 30.007 -3.247 1
1 468 . 9 1 1 A 45 45 HIS N N 45 119.000 121.263 -2.263 1
1 469 . 9 1 1 A 46 46 THR H H 46 7.800 8.375 -0.575 1
1 470 . 9 1 1 A 46 46 THR HA H 46 3.870 3.459 0.411 1
1 475 . 9 1 1 A 46 46 THR C C 46 175.850 176.306 -0.456 1
1 476 . 9 1 1 A 46 46 THR CA C 46 65.410 66.834 -1.424 1
1 477 . 9 1 1 A 46 46 THR CB C 46 68.850 68.524 0.326 1
1 479 . 9 1 1 A 46 46 THR N N 46 110.300 115.129 -4.829 1
1 480 . 9 1 1 A 47 47 LYS H H 47 7.310 7.924 -0.614 1
1 481 . 9 1 1 A 47 47 LYS HA H 47 4.100 4.115 -0.015 1
1 488 . 9 1 1 A 47 47 LYS C C 47 177.640 179.873 -2.233 1
1 489 . 9 1 1 A 47 47 LYS CA C 47 58.310 59.283 -0.973 1
1 490 . 9 1 1 A 47 47 LYS CB C 47 31.420 32.218 -0.798 1
1 494 . 9 1 1 A 47 47 LYS N N 47 120.240 119.295 0.945 1
1 495 . 9 1 1 A 48 48 GLY H H 48 7.159 7.656 -0.497 1
1 496 . 9 1 1 A 48 48 GLY HA2 H 48 4.410 4.010 0.400 1
1 497 . 9 1 1 A 48 48 GLY HA3 H 48 3.680 4.038 -0.358 1
1 498 . 9 1 1 A 48 48 GLY C C 48 173.850 174.168 -0.318 1
1 499 . 9 1 1 A 48 48 GLY CA C 48 44.433 46.801 -2.368 1
1 500 . 9 1 1 A 48 48 GLY N N 48 103.360 107.346 -3.986 1
1 501 . 9 1 1 A 49 49 CYS H H 49 6.910 7.346 -0.436 1
1 502 . 9 1 1 A 49 49 CYS HA H 49 4.020 4.599 -0.579 1
1 505 . 9 1 1 A 49 49 CYS C C 49 176.710 174.686 2.024 1
1 506 . 9 1 1 A 49 49 CYS CA C 49 60.620 57.476 3.144 1
1 507 . 9 1 1 A 49 49 CYS CB C 49 29.260 29.573 -0.313 1
1 508 . 9 1 1 A 49 49 CYS N N 49 123.280 119.881 3.399 1
1 509 . 9 1 1 A 50 50 LYS H H 50 8.960 9.033 -0.073 1
1 510 . 9 1 1 A 50 50 LYS HA H 50 3.980 4.238 -0.258 1
1 519 . 9 1 1 A 50 50 LYS C C 50 177.580 178.740 -1.160 1
1 520 . 9 1 1 A 50 50 LYS CA C 50 56.280 58.266 -1.986 1
1 521 . 9 1 1 A 50 50 LYS CB C 50 32.150 32.636 -0.486 1
1 525 . 9 1 1 A 50 50 LYS N N 50 128.200 127.989 0.211 1
1 526 . 9 1 1 A 51 51 ARG H H 51 8.530 7.966 0.564 1
1 527 . 9 1 1 A 51 51 ARG HA H 51 4.460 4.049 0.411 1
1 533 . 9 1 1 A 51 51 ARG C C 51 176.700 178.504 -1.804 1
1 534 . 9 1 1 A 51 51 ARG CA C 51 57.203 59.154 -1.951 1
1 535 . 9 1 1 A 51 51 ARG CB C 51 30.969 30.153 0.816 1
1 538 . 9 1 1 A 51 51 ARG N N 51 122.350 120.983 1.367 1
1 539 . 9 1 1 A 52 52 LYS H H 52 8.420 7.369 1.051 1
1 540 . 9 1 1 A 52 52 LYS HA H 52 4.470 4.206 0.264 1
1 549 . 9 1 1 A 52 52 LYS C C 52 177.300 179.138 -1.838 1
1 550 . 9 1 1 A 52 52 LYS CA C 52 57.600 58.796 -1.196 1
1 551 . 9 1 1 A 52 52 LYS CB C 52 31.627 31.966 -0.339 1
1 555 . 9 1 1 A 52 52 LYS N N 52 118.820 119.358 -0.538 1
1 556 . 9 1 1 A 53 53 THR H H 53 7.760 7.748 0.012 1
1 557 . 9 1 1 A 53 53 THR HA H 53 4.230 3.880 0.350 1
1 562 . 9 1 1 A 53 53 THR C C 53 175.700 176.741 -1.041 1
1 563 . 9 1 1 A 53 53 THR CA C 53 63.390 66.754 -3.364 1
1 564 . 9 1 1 A 53 53 THR CB C 53 68.220 68.546 -0.326 1
1 566 . 9 1 1 A 53 53 THR N N 53 112.860 117.726 -4.866 1
1 567 . 9 1 1 A 54 54 ASN H H 54 8.260 7.534 0.726 1
1 568 . 9 1 1 A 54 54 ASN HA H 54 4.110 4.646 -0.536 1
1 570 . 9 1 1 A 54 54 ASN C C 54 175.970 175.460 0.510 1
1 571 . 9 1 1 A 54 54 ASN CA C 54 53.300 53.180 0.120 1
1 572 . 9 1 1 A 54 54 ASN CB C 54 37.810 38.617 -0.807 1
1 573 . 9 1 1 A 54 54 ASN N N 54 119.690 116.426 3.264 1
1 574 . 9 1 1 A 55 55 GLY H H 55 7.960 8.255 -0.295 1
1 575 . 9 1 1 A 55 55 GLY HA2 H 55 4.010 3.926 0.084 1
1 576 . 9 1 1 A 55 55 GLY HA3 H 55 4.010 3.944 0.066 1
1 577 . 9 1 1 A 55 55 GLY C C 55 175.270 175.914 -0.644 1
1 578 . 9 1 1 A 55 55 GLY CA C 55 45.610 45.428 0.182 1
1 579 . 9 1 1 A 55 55 GLY N N 55 107.340 106.983 0.357 1
1 580 . 9 1 1 A 56 56 GLY H H 56 7.820 7.686 0.134 1
1 581 . 9 1 1 A 56 56 GLY HA2 H 56 3.970 3.934 0.036 1
1 582 . 9 1 1 A 56 56 GLY HA3 H 56 3.970 3.937 0.033 1
1 583 . 9 1 1 A 56 56 GLY C C 56 173.320 174.297 -0.977 1
1 584 . 9 1 1 A 56 56 GLY CA C 56 45.350 47.200 -1.850 1
1 585 . 9 1 1 A 56 56 GLY N N 56 107.080 107.655 -0.575 1
1 586 . 9 1 1 A 57 57 CYS H H 57 8.010 7.802 0.208 1
1 587 . 9 1 1 A 57 57 CYS HA H 57 4.870 4.702 0.168 1
1 590 . 9 1 1 A 57 57 CYS C C 57 175.610 174.575 1.035 1
1 591 . 9 1 1 A 57 57 CYS CA C 57 55.340 56.653 -1.313 1
1 592 . 9 1 1 A 57 57 CYS CB C 57 30.160 29.102 1.058 1
1 593 . 9 1 1 A 57 57 CYS N N 57 122.570 119.079 3.491 1
1 594 . 9 1 1 A 58 58 PRO HA H 58 4.320 4.296 0.024 1
1 601 . 9 1 1 A 58 58 PRO CA C 58 64.550 65.280 -0.730 1
1 602 . 9 1 1 A 58 58 PRO CB C 58 32.050 31.888 0.162 1
1 605 . 9 1 1 A 59 59 ILE H H 59 7.917 7.207 0.710 1
1 606 . 9 1 1 A 59 59 ILE HA H 59 3.550 3.867 -0.317 1
1 616 . 9 1 1 A 59 59 ILE C C 59 178.040 177.914 0.126 1
1 617 . 9 1 1 A 59 59 ILE CA C 59 64.540 64.284 0.256 1
1 618 . 9 1 1 A 59 59 ILE CB C 59 38.160 37.759 0.401 1
1 622 . 9 1 1 A 59 59 ILE N N 59 120.680 116.793 3.887 1
1 623 . 9 1 1 A 60 60 CYS H H 60 8.920 8.095 0.825 1
1 624 . 9 1 1 A 60 60 CYS HA H 60 4.105 4.027 0.078 1
1 627 . 9 1 1 A 60 60 CYS C C 60 177.540 177.221 0.319 1
1 628 . 9 1 1 A 60 60 CYS CA C 60 66.000 63.221 2.779 1
1 629 . 9 1 1 A 60 60 CYS CB C 60 28.750 27.326 1.424 1
1 630 . 9 1 1 A 60 60 CYS N N 60 123.890 118.696 5.194 1
1 631 . 9 1 1 A 61 61 LYS H H 61 8.100 8.987 -0.887 1
1 632 . 9 1 1 A 61 61 LYS HA H 61 3.920 3.892 0.028 1
1 639 . 9 1 1 A 61 61 LYS C C 61 179.030 178.300 0.730 1
1 640 . 9 1 1 A 61 61 LYS CA C 61 59.610 59.621 -0.011 1
1 641 . 9 1 1 A 61 61 LYS CB C 61 32.040 32.584 -0.544 1
1 645 . 9 1 1 A 61 61 LYS N N 61 117.130 121.562 -4.432 1
1 646 . 9 1 1 A 62 62 GLN H H 62 7.010 8.184 -1.174 1
1 647 . 9 1 1 A 62 62 GLN HA H 62 4.150 4.123 0.027 1
1 652 . 9 1 1 A 62 62 GLN C C 62 178.340 178.178 0.162 1
1 653 . 9 1 1 A 62 62 GLN CA C 62 58.520 58.616 -0.096 1
1 654 . 9 1 1 A 62 62 GLN CB C 62 27.587 28.224 -0.637 1
1 656 . 9 1 1 A 62 62 GLN N N 62 117.000 118.431 -1.431 1
1 657 . 9 1 1 A 63 63 LEU H H 63 7.980 8.005 -0.025 1
1 658 . 9 1 1 A 63 63 LEU HA H 63 4.160 4.016 0.144 1
1 667 . 9 1 1 A 63 63 LEU C C 63 179.060 178.182 0.878 1
1 668 . 9 1 1 A 63 63 LEU CA C 63 57.830 58.186 -0.356 1
1 669 . 9 1 1 A 63 63 LEU CB C 63 41.270 41.264 0.006 1
1 673 . 9 1 1 A 63 63 LEU N N 63 119.730 121.370 -1.640 1
1 674 . 9 1 1 A 64 64 ILE H H 64 8.481 8.668 -0.187 1
1 675 . 9 1 1 A 64 64 ILE HA H 64 3.650 3.426 0.224 1
1 685 . 9 1 1 A 64 64 ILE C C 64 179.930 178.217 1.713 1
1 686 . 9 1 1 A 64 64 ILE CA C 64 65.220 65.645 -0.425 1
1 687 . 9 1 1 A 64 64 ILE CB C 64 36.960 37.574 -0.614 1
1 691 . 9 1 1 A 64 64 ILE N N 64 120.350 119.759 0.591 1
1 692 . 9 1 1 A 65 65 ALA H H 65 7.300 7.683 -0.383 1
1 693 . 9 1 1 A 65 65 ALA HA H 65 4.200 4.028 0.172 1
1 697 . 9 1 1 A 65 65 ALA C C 65 180.010 179.987 0.023 1
1 698 . 9 1 1 A 65 65 ALA CA C 65 54.940 55.401 -0.461 1
1 699 . 9 1 1 A 65 65 ALA CB C 65 18.010 18.477 -0.467 1
1 700 . 9 1 1 A 65 65 ALA N N 65 122.510 122.472 0.038 1
1 701 . 9 1 1 A 66 66 LEU H H 66 8.120 8.766 -0.646 1
1 702 . 9 1 1 A 66 66 LEU HA H 66 4.100 4.323 -0.223 1
1 712 . 9 1 1 A 66 66 LEU C C 66 179.480 178.660 0.820 1
1 713 . 9 1 1 A 66 66 LEU CA C 66 57.540 57.881 -0.341 1
1 714 . 9 1 1 A 66 66 LEU CB C 66 41.940 41.343 0.597 1
1 718 . 9 1 1 A 66 66 LEU N N 66 115.490 119.998 -4.508 1
1 719 . 9 1 1 A 67 67 ALA H H 67 8.840 9.160 -0.320 1
1 720 . 9 1 1 A 67 67 ALA HA H 67 4.000 4.146 -0.146 1
1 724 . 9 1 1 A 67 67 ALA C C 67 179.000 179.540 -0.540 1
1 725 . 9 1 1 A 67 67 ALA CA C 67 55.490 55.290 0.200 1
1 726 . 9 1 1 A 67 67 ALA CB C 67 18.460 18.383 0.077 1
1 727 . 9 1 1 A 67 67 ALA N N 67 121.500 120.676 0.824 1
1 728 . 9 1 1 A 68 68 ALA H H 68 8.500 8.173 0.327 1
1 729 . 9 1 1 A 68 68 ALA HA H 68 4.160 3.977 0.183 1
1 733 . 9 1 1 A 68 68 ALA C C 68 179.070 179.543 -0.473 1
1 734 . 9 1 1 A 68 68 ALA CA C 68 55.290 55.157 0.133 1
1 735 . 9 1 1 A 68 68 ALA CB C 68 17.524 18.863 -1.339 1
1 736 . 9 1 1 A 68 68 ALA N N 68 120.100 119.789 0.311 1
1 737 . 9 1 1 A 69 69 TYR H H 69 7.850 7.906 -0.056 1
1 738 . 9 1 1 A 69 69 TYR HA H 69 4.310 4.360 -0.050 1
1 741 . 9 1 1 A 69 69 TYR CA C 69 56.141 60.873 -4.732 1
1 742 . 9 1 1 A 69 69 TYR CB C 69 37.943 38.093 -0.150 1
1 743 . 9 1 1 A 69 69 TYR N N 69 118.930 116.024 2.906 1
1 744 . 9 1 1 A 70 70 HIS H H 70 7.960 8.018 -0.058 1
1 745 . 9 1 1 A 70 70 HIS HA H 70 4.510 4.319 0.191 1
1 748 . 9 1 1 A 70 70 HIS CA C 70 54.640 60.615 -5.975 1
1 749 . 9 1 1 A 70 70 HIS CB C 70 27.560 29.801 -2.241 1
1 750 . 9 1 1 A 70 70 HIS N N 70 125.790 119.642 6.148 1
1 751 . 9 1 1 A 71 71 ALA H H 71 9.190 9.432 -0.242 1
1 752 . 9 1 1 A 71 71 ALA HA H 71 3.960 3.942 0.018 1
1 756 . 9 1 1 A 71 71 ALA C C 71 179.070 179.729 -0.659 1
1 757 . 9 1 1 A 71 71 ALA CA C 71 54.510 54.587 -0.077 1
1 758 . 9 1 1 A 71 71 ALA CB C 71 19.240 18.204 1.036 1
1 759 . 9 1 1 A 71 71 ALA N N 71 121.760 121.091 0.669 1
1 760 . 9 1 1 A 72 72 LYS H H 72 6.950 7.440 -0.490 1
1 761 . 9 1 1 A 72 72 LYS HA H 72 3.920 4.112 -0.192 1
1 770 . 9 1 1 A 72 72 LYS C C 72 176.750 179.123 -2.373 1
1 771 . 9 1 1 A 72 72 LYS CA C 72 57.690 58.921 -1.231 1
1 772 . 9 1 1 A 72 72 LYS CB C 72 31.720 32.853 -1.133 1
1 776 . 9 1 1 A 72 72 LYS N N 72 114.500 118.068 -3.568 1
1 777 . 9 1 1 A 73 73 HIS H H 73 7.140 8.407 -1.267 1
1 778 . 9 1 1 A 73 73 HIS HA H 73 4.830 4.177 0.653 1
1 781 . 9 1 1 A 73 73 HIS C C 73 173.590 175.975 -2.385 1
1 782 . 9 1 1 A 73 73 HIS CA C 73 54.070 59.968 -5.898 1
1 783 . 9 1 1 A 73 73 HIS CB C 73 29.640 30.044 -0.404 1
1 784 . 9 1 1 A 73 73 HIS N N 73 113.180 119.367 -6.187 1
1 785 . 9 1 1 A 74 74 CYS H H 74 7.020 7.882 -0.862 1
1 786 . 9 1 1 A 74 74 CYS HA H 74 4.140 4.149 -0.009 1
1 789 . 9 1 1 A 74 74 CYS C C 74 176.120 175.639 0.481 1
1 790 . 9 1 1 A 74 74 CYS CA C 74 59.829 58.506 1.323 1
1 791 . 9 1 1 A 74 74 CYS CB C 74 29.473 27.614 1.859 1
1 792 . 9 1 1 A 74 74 CYS N N 74 123.590 117.614 5.976 1
1 793 . 9 1 1 A 75 75 GLN H H 75 9.070 8.640 0.430 1
1 794 . 9 1 1 A 75 75 GLN HA H 75 4.705 4.296 0.409 1
1 798 . 9 1 1 A 75 75 GLN C C 75 175.620 175.275 0.345 1
1 799 . 9 1 1 A 75 75 GLN CA C 75 54.290 57.013 -2.723 1
1 800 . 9 1 1 A 75 75 GLN CB C 75 28.760 28.808 -0.048 1
1 802 . 9 1 1 A 75 75 GLN N N 75 128.650 126.488 2.162 1
1 803 . 9 1 1 A 76 76 GLU H H 76 8.260 7.594 0.666 1
1 804 . 9 1 1 A 76 76 GLU HA H 76 4.410 4.847 -0.437 1
1 809 . 9 1 1 A 76 76 GLU C C 76 176.700 175.127 1.573 1
1 810 . 9 1 1 A 76 76 GLU CA C 76 55.510 54.974 0.536 1
1 811 . 9 1 1 A 76 76 GLU CB C 76 29.860 32.955 -3.095 1
1 813 . 9 1 1 A 76 76 GLU N N 76 123.000 120.715 2.285 1
1 814 . 9 1 1 A 77 77 ASN H H 77 8.830 8.572 0.258 1
1 815 . 9 1 1 A 77 77 ASN HA H 77 4.530 4.687 -0.157 1
1 818 . 9 1 1 A 77 77 ASN C C 77 175.700 175.812 -0.112 1
1 819 . 9 1 1 A 77 77 ASN CA C 77 55.030 52.111 2.919 1
1 820 . 9 1 1 A 77 77 ASN CB C 77 38.030 37.823 0.207 1
1 821 . 9 1 1 A 77 77 ASN N N 77 125.100 124.470 0.630 1
1 822 . 9 1 1 A 78 78 LYS H H 78 8.660 8.375 0.285 1
1 823 . 9 1 1 A 78 78 LYS HA H 78 4.440 3.951 0.489 1
1 832 . 9 1 1 A 78 78 LYS C C 78 174.930 176.185 -1.255 1
1 833 . 9 1 1 A 78 78 LYS CA C 78 54.120 59.203 -5.083 1
1 834 . 9 1 1 A 78 78 LYS CB C 78 30.120 32.491 -2.371 1
1 838 . 9 1 1 A 78 78 LYS N N 78 120.580 125.498 -4.918 1
1 839 . 9 1 1 A 79 79 CYS H H 79 7.320 7.729 -0.409 1
1 840 . 9 1 1 A 79 79 CYS HA H 79 4.160 4.491 -0.331 1
1 843 . 9 1 1 A 79 79 CYS C C 79 176.230 174.719 1.511 1
1 844 . 9 1 1 A 79 79 CYS CA C 79 60.480 60.089 0.391 1
1 845 . 9 1 1 A 79 79 CYS CB C 79 28.440 28.062 0.378 1
1 846 . 9 1 1 A 79 79 CYS N N 79 124.350 113.827 10.523 1
1 847 . 9 1 1 A 80 80 PRO HA H 80 4.730 4.271 0.459 1
1 854 . 9 1 1 A 80 80 PRO CA C 80 62.580 65.012 -2.432 1
1 855 . 9 1 1 A 80 80 PRO CB C 80 31.540 31.456 0.084 1
1 858 . 9 1 1 A 81 81 VAL H H 81 9.030 7.831 1.199 1
1 859 . 9 1 1 A 81 81 VAL HA H 81 3.570 4.073 -0.503 1
1 867 . 9 1 1 A 81 81 VAL CA C 81 62.220 61.069 1.151 1
1 868 . 9 1 1 A 81 81 VAL CB C 81 30.990 32.017 -1.027 1
1 871 . 9 1 1 A 81 81 VAL N N 81 127.570 119.037 8.533 1
1 872 . 9 1 1 A 82 82 PRO HA H 82 4.860 4.184 0.676 1
1 879 . 9 1 1 A 82 82 PRO CA C 82 62.860 65.567 -2.707 1
1 880 . 9 1 1 A 82 82 PRO CB C 82 31.550 31.193 0.357 1
1 883 . 9 1 1 A 83 83 PHE H H 83 6.940 6.618 0.322 1
1 884 . 9 1 1 A 83 83 PHE HA H 83 4.460 4.253 0.207 1
1 887 . 9 1 1 A 83 83 PHE C C 83 177.240 178.312 -1.072 1
1 888 . 9 1 1 A 83 83 PHE CA C 83 59.880 60.842 -0.962 1
1 889 . 9 1 1 A 83 83 PHE CB C 83 37.550 38.379 -0.829 1
1 890 . 9 1 1 A 83 83 PHE N N 83 123.530 117.110 6.420 1
1 891 . 9 1 1 A 84 84 CYS H H 84 7.020 8.297 -1.277 1
1 892 . 9 1 1 A 84 84 CYS HA H 84 4.100 4.270 -0.170 1
1 895 . 9 1 1 A 84 84 CYS CA C 84 66.560 62.331 4.229 1
1 896 . 9 1 1 A 84 84 CYS CB C 84 29.770 27.162 2.608 1
1 897 . 9 1 1 A 84 84 CYS N N 84 111.010 118.289 -7.279 1
1 898 . 9 1 1 A 85 85 LEU H H 85 8.190 7.903 0.287 1
1 899 . 9 1 1 A 85 85 LEU HA H 85 4.130 3.871 0.259 1
1 908 . 9 1 1 A 85 85 LEU C C 85 178.700 179.692 -0.992 1
1 909 . 9 1 1 A 85 85 LEU CA C 85 57.450 57.968 -0.518 1
1 910 . 9 1 1 A 85 85 LEU CB C 85 41.720 41.318 0.402 1
1 914 . 9 1 1 A 85 85 LEU N N 85 120.080 121.186 -1.106 1
1 915 . 9 1 1 A 86 86 ASN H H 86 7.740 7.912 -0.172 1
1 916 . 9 1 1 A 86 86 ASN HA H 86 4.530 4.544 -0.014 1
1 919 . 9 1 1 A 86 86 ASN C C 86 177.040 176.680 0.360 1
1 920 . 9 1 1 A 86 86 ASN CA C 86 55.510 56.130 -0.620 1
1 921 . 9 1 1 A 86 86 ASN CB C 86 38.650 38.424 0.226 1
1 922 . 9 1 1 A 86 86 ASN N N 86 115.410 118.523 -3.113 1
1 923 . 9 1 1 A 87 87 ILE H H 87 8.190 7.812 0.378 1
1 924 . 9 1 1 A 87 87 ILE HA H 87 3.960 3.943 0.017 1
1 934 . 9 1 1 A 87 87 ILE C C 87 177.980 178.225 -0.245 1
1 935 . 9 1 1 A 87 87 ILE CA C 87 63.050 63.593 -0.543 1
1 936 . 9 1 1 A 87 87 ILE CB C 87 36.950 38.254 -1.304 1
1 940 . 9 1 1 A 87 87 ILE N N 87 120.100 119.049 1.051 1
1 941 . 9 1 1 A 88 88 LYS H H 88 8.300 9.245 -0.945 1
1 942 . 9 1 1 A 88 88 LYS HA H 88 4.160 3.925 0.235 1
1 949 . 9 1 1 A 88 88 LYS C C 88 179.730 178.681 1.049 1
1 950 . 9 1 1 A 88 88 LYS CA C 88 59.030 59.951 -0.921 1
1 951 . 9 1 1 A 88 88 LYS CB C 88 27.530 32.261 -4.731 1
1 953 . 9 1 1 A 88 88 LYS N N 88 118.760 119.998 -1.238 1
1 954 . 9 1 1 A 89 89 GLN H H 89 8.730 7.547 1.183 1
1 955 . 9 1 1 A 89 89 GLN HA H 89 4.440 4.224 0.216 1
1 958 . 9 1 1 A 89 89 GLN CA C 89 56.350 57.201 -0.851 1
1 959 . 9 1 1 A 89 89 GLN CB C 89 27.750 29.185 -1.435 1
1 961 . 9 1 1 A 89 89 GLN N N 89 122.660 118.585 4.075 1
1 978 . 9 2 2 B 2 2 GLU C C 2 176.270 176.195 0.075 1
1 979 . 9 2 2 B 2 2 GLU CA C 2 56.070 58.924 -2.854 1
1 980 . 9 2 2 B 2 2 GLU CB C 2 29.100 29.608 -0.508 1
1 981 . 9 2 2 B 3 3 GLU HA H 3 4.650 4.420 0.230 1
1 986 . 9 2 2 B 3 3 GLU C C 3 176.270 177.200 -0.930 1
1 987 . 9 2 2 B 3 3 GLU CA C 3 53.970 57.594 -3.624 1
1 988 . 9 2 2 B 3 3 GLU CB C 3 29.200 32.263 -3.063 1
1 990 . 9 2 2 B 4 4 PRO HA H 4 4.510 4.318 0.192 1
1 997 . 9 2 2 B 4 4 PRO C C 4 181.100 177.447 3.653 1
1 998 . 9 2 2 B 4 4 PRO CA C 4 62.900 64.294 -1.394 1
1 999 . 9 2 2 B 4 4 PRO CB C 4 31.402 32.107 -0.705 1
1 1002 . 9 2 2 B 5 5 GLN H H 5 8.530 7.921 0.609 1
1 1003 . 9 2 2 B 5 5 GLN HA H 5 4.430 4.461 -0.031 1
1 1007 . 9 2 2 B 5 5 GLN C C 5 176.100 174.365 1.735 1
1 1008 . 9 2 2 B 5 5 GLN CA C 5 53.450 56.953 -3.503 1
1 1009 . 9 2 2 B 5 5 GLN CB C 5 28.990 27.677 1.313 1
1 1011 . 9 2 2 B 5 5 GLN N N 5 120.510 117.271 3.239 1
1 1012 . 9 2 2 B 6 6 SER H H 6 8.330 8.402 -0.072 1
1 1013 . 9 2 2 B 6 6 SER HA H 6 4.500 4.309 0.191 1
1 1015 . 9 2 2 B 6 6 SER C C 6 173.920 174.376 -0.456 1
1 1016 . 9 2 2 B 6 6 SER CA C 6 57.860 58.977 -1.117 1
1 1017 . 9 2 2 B 6 6 SER CB C 6 63.230 63.461 -0.231 1
1 1018 . 9 2 2 B 6 6 SER N N 6 117.080 118.068 -0.988 1
1 1019 . 9 2 2 B 7 7 ASP H H 7 8.380 8.722 -0.342 1
1 1020 . 9 2 2 B 7 7 ASP HA H 7 4.960 4.571 0.389 1
1 1023 . 9 2 2 B 7 7 ASP C C 7 174.780 176.726 -1.946 1
1 1024 . 9 2 2 B 7 7 ASP CA C 7 51.960 57.462 -5.502 1
1 1025 . 9 2 2 B 7 7 ASP CB C 7 40.850 40.789 0.061 1
1 1026 . 9 2 2 B 7 7 ASP N N 7 123.030 127.798 -4.768 1
1 1027 . 9 2 2 B 8 8 PRO HA H 8 4.450 4.332 0.118 1
1 1034 . 9 2 2 B 8 8 PRO C C 8 177.080 178.314 -1.234 1
1 1035 . 9 2 2 B 8 8 PRO CA C 8 63.520 65.623 -2.103 1
1 1036 . 9 2 2 B 8 8 PRO CB C 8 31.612 30.815 0.797 1
1 1039 . 9 2 2 B 9 9 SER H H 9 8.520 8.062 0.458 1
1 1040 . 9 2 2 B 9 9 SER HA H 9 4.450 4.482 -0.032 1
1 1042 . 9 2 2 B 9 9 SER C C 9 174.420 174.537 -0.117 1
1 1043 . 9 2 2 B 9 9 SER CA C 9 58.590 58.718 -0.128 1
1 1044 . 9 2 2 B 9 9 SER CB C 9 63.330 64.356 -1.026 1
1 1045 . 9 2 2 B 9 9 SER N N 9 116.010 110.193 5.817 1
1 1046 . 9 2 2 B 10 10 VAL H H 10 7.771 7.602 0.169 1
1 1047 . 9 2 2 B 10 10 VAL HA H 10 4.200 4.091 0.109 1
1 1055 . 9 2 2 B 10 10 VAL C C 10 174.430 174.712 -0.282 1
1 1056 . 9 2 2 B 10 10 VAL CA C 10 61.330 62.234 -0.904 1
1 1057 . 9 2 2 B 10 10 VAL CB C 10 32.340 30.222 2.118 1
1 1060 . 9 2 2 B 10 10 VAL N N 10 121.350 123.302 -1.952 1
1 1061 . 9 2 2 B 11 11 GLU H H 11 8.000 8.608 -0.608 1
1 1062 . 9 2 2 B 11 11 GLU HA H 11 4.660 4.794 -0.134 1
1 1067 . 9 2 2 B 11 11 GLU C C 11 173.740 174.413 -0.673 1
1 1068 . 9 2 2 B 11 11 GLU CA C 11 53.130 52.615 0.515 1
1 1069 . 9 2 2 B 11 11 GLU CB C 11 29.826 30.515 -0.689 1
1 1071 . 9 2 2 B 11 11 GLU N N 11 125.070 127.023 -1.953 1
1 1072 . 9 2 2 B 12 12 PRO HA H 12 4.520 4.418 0.102 1
1 1079 . 9 2 2 B 12 12 PRO CA C 12 63.570 63.216 0.354 1
1 1080 . 9 2 2 B 12 12 PRO CB C 12 31.350 31.681 -0.331 1
1 1083 . 9 2 2 B 13 13 PRO HA H 13 4.510 4.499 0.011 1
1 1090 . 9 2 2 B 13 13 PRO C C 13 175.980 177.240 -1.260 1
1 1091 . 9 2 2 B 13 13 PRO CB C 13 31.720 32.211 -0.491 1
1 1094 . 9 2 2 B 14 14 LEU H H 14 7.900 8.917 -1.017 1
1 1095 . 9 2 2 B 14 14 LEU HA H 14 4.480 4.489 -0.009 1
1 1101 . 9 2 2 B 14 14 LEU C C 14 177.260 176.930 0.330 1
1 1102 . 9 2 2 B 14 14 LEU CA C 14 52.290 54.340 -2.050 1
1 1103 . 9 2 2 B 14 14 LEU CB C 14 41.270 42.252 -0.982 1
1 1106 . 9 2 2 B 14 14 LEU N N 14 120.860 122.274 -1.414 1
1 1107 . 9 2 2 B 15 15 SER H H 15 8.620 8.395 0.225 1
1 1108 . 9 2 2 B 15 15 SER HA H 15 4.510 4.533 -0.023 1
1 1111 . 9 2 2 B 15 15 SER C C 15 175.040 174.670 0.370 1
1 1112 . 9 2 2 B 15 15 SER CA C 15 57.330 60.413 -3.083 1
1 1113 . 9 2 2 B 15 15 SER CB C 15 63.960 61.549 2.411 1
1 1114 . 9 2 2 B 15 15 SER N N 15 117.360 113.742 3.618 1
1 1115 . 9 2 2 B 16 16 GLN H H 16 8.700 8.064 0.636 1
1 1116 . 9 2 2 B 16 16 GLN HA H 16 4.400 4.823 -0.423 1
1 1120 . 9 2 2 B 16 16 GLN C C 16 176.280 176.403 -0.123 1
1 1121 . 9 2 2 B 16 16 GLN CA C 16 56.170 55.292 0.878 1
1 1122 . 9 2 2 B 16 16 GLN CB C 16 29.310 29.424 -0.114 1
1 1124 . 9 2 2 B 16 16 GLN N N 16 122.480 118.180 4.300 1
1 1125 . 9 2 2 B 18 18 THR H H 18 7.860 8.056 -0.196 1
1 1126 . 9 2 2 B 18 18 THR HA H 18 4.080 4.026 0.054 1
1 1131 . 9 2 2 B 18 18 THR C C 18 175.900 176.296 -0.396 1
1 1132 . 9 2 2 B 18 18 THR CA C 18 66.280 66.368 -0.088 1
1 1133 . 9 2 2 B 18 18 THR CB C 18 67.550 68.821 -1.271 1
1 1135 . 9 2 2 B 18 18 THR N N 18 116.790 115.502 1.288 1
1 1136 . 9 2 2 B 19 19 PHE H H 19 8.640 8.678 -0.038 1
1 1137 . 9 2 2 B 19 19 PHE HA H 19 4.340 4.364 -0.024 1
1 1140 . 9 2 2 B 19 19 PHE C C 19 176.340 178.391 -2.051 1
1 1141 . 9 2 2 B 19 19 PHE CA C 19 59.680 61.459 -1.779 1
1 1142 . 9 2 2 B 19 19 PHE CB C 19 38.070 39.049 -0.979 1
1 1143 . 9 2 2 B 19 19 PHE N N 19 120.710 120.752 -0.042 1
1 1144 . 9 2 2 B 20 20 SER H H 20 8.260 9.082 -0.822 1
1 1145 . 9 2 2 B 20 20 SER C C 20 176.100 176.914 -0.814 1
1 1146 . 9 2 2 B 20 20 SER CA C 20 61.280 61.523 -0.243 1
1 1147 . 9 2 2 B 20 20 SER CB C 20 61.980 62.717 -0.737 1
1 1148 . 9 2 2 B 20 20 SER N N 20 114.000 114.239 -0.239 1
1 1149 . 9 2 2 B 21 21 ASP H H 21 7.660 8.002 -0.342 1
1 1150 . 9 2 2 B 21 21 ASP HA H 21 4.520 4.310 0.210 1
1 1153 . 9 2 2 B 21 21 ASP C C 21 177.890 178.693 -0.803 1
1 1154 . 9 2 2 B 21 21 ASP CA C 21 56.070 57.232 -1.162 1
1 1155 . 9 2 2 B 21 21 ASP CB C 21 40.020 40.375 -0.355 1
1 1156 . 9 2 2 B 21 21 ASP N N 21 120.570 120.974 -0.404 1
1 1157 . 9 2 2 B 22 22 LEU H H 22 7.990 8.029 -0.039 1
1 1158 . 9 2 2 B 22 22 LEU HA H 22 3.940 3.996 -0.056 1
1 1165 . 9 2 2 B 22 22 LEU C C 22 178.390 178.860 -0.470 1
1 1166 . 9 2 2 B 22 22 LEU CA C 22 57.440 58.433 -0.993 1
1 1167 . 9 2 2 B 22 22 LEU CB C 22 41.270 41.849 -0.579 1
1 1170 . 9 2 2 B 22 22 LEU N N 22 120.860 119.594 1.266 1
1 1171 . 9 2 2 B 23 23 TRP H H 23 8.920 7.981 0.939 1
1 1172 . 9 2 2 B 23 23 TRP HA H 23 4.200 4.640 -0.440 1
1 1175 . 9 2 2 B 23 23 TRP C C 23 178.090 177.159 0.931 1
1 1176 . 9 2 2 B 23 23 TRP CA C 23 59.310 58.260 1.050 1
1 1177 . 9 2 2 B 23 23 TRP CB C 23 28.550 29.269 -0.719 1
1 1178 . 9 2 2 B 23 23 TRP N N 23 119.580 116.864 2.716 1
1 1179 . 9 2 2 B 24 24 LYS H H 24 7.380 6.998 0.382 1
1 1180 . 9 2 2 B 24 24 LYS HA H 24 4.090 3.738 0.352 1
1 1189 . 9 2 2 B 24 24 LYS C C 24 177.360 177.130 0.230 1
1 1190 . 9 2 2 B 24 24 LYS CA C 24 57.750 56.455 1.295 1
1 1191 . 9 2 2 B 24 24 LYS CB C 24 31.980 31.784 0.196 1
1 1195 . 9 2 2 B 24 24 LYS N N 24 116.010 119.229 -3.219 1
1 1196 . 9 2 2 B 25 25 LEU H H 25 7.700 7.316 0.384 1
1 1197 . 9 2 2 B 25 25 LEU HA H 25 4.330 4.262 0.068 1
1 1207 . 9 2 2 B 25 25 LEU C C 25 177.290 176.322 0.968 1
1 1208 . 9 2 2 B 25 25 LEU CA C 25 54.920 54.347 0.573 1
1 1209 . 9 2 2 B 25 25 LEU CB C 25 42.220 41.647 0.573 1
1 1213 . 9 2 2 B 25 25 LEU N N 25 118.160 117.008 1.152 1
1 1214 . 9 2 2 B 26 26 LEU H H 26 7.350 7.180 0.170 1
1 1215 . 9 2 2 B 26 26 LEU HA H 26 4.540 4.406 0.134 1
1 1225 . 9 2 2 B 26 26 LEU C C 26 175.090 177.127 -2.037 1
1 1226 . 9 2 2 B 26 26 LEU CA C 26 53.130 53.701 -0.571 1
1 1227 . 9 2 2 B 26 26 LEU CB C 26 40.650 42.294 -1.644 1
1 1231 . 9 2 2 B 26 26 LEU N N 26 120.260 119.534 0.726 1
1 1232 . 9 2 2 B 27 27 PRO HA H 27 4.550 4.391 0.159 1
1 1239 . 9 2 2 B 27 27 PRO C C 27 177.410 176.488 0.922 1
1 1240 . 9 2 2 B 27 27 PRO CA C 27 62.420 65.237 -2.817 1
1 1241 . 9 2 2 B 27 27 PRO CB C 27 31.080 31.819 -0.739 1
1 1244 . 9 2 2 B 28 28 GLU H H 28 8.670 7.844 0.826 1
1 1245 . 9 2 2 B 28 28 GLU HA H 28 4.210 4.720 -0.510 1
1 1250 . 9 2 2 B 28 28 GLU C C 28 176.540 175.655 0.885 1
1 1251 . 9 2 2 B 28 28 GLU CA C 28 57.020 55.355 1.665 1
1 1252 . 9 2 2 B 28 28 GLU CB C 28 28.980 32.991 -4.011 1
1 1254 . 9 2 2 B 28 28 GLU N N 28 119.490 116.603 2.887 1
1 1255 . 9 2 2 B 29 29 ASN H H 29 8.220 8.650 -0.430 1
1 1256 . 9 2 2 B 29 29 ASN HA H 29 4.720 4.573 0.147 1
1 1259 . 9 2 2 B 29 29 ASN C C 29 174.980 175.117 -0.137 1
1 1260 . 9 2 2 B 29 29 ASN CA C 29 53.130 53.896 -0.766 1
1 1261 . 9 2 2 B 29 29 ASN CB C 29 38.350 38.775 -0.425 1
1 1262 . 9 2 2 B 29 29 ASN N N 29 118.090 125.803 -7.713 1
1 1263 . 9 2 2 B 30 30 ASN H H 30 8.260 8.186 0.074 1
1 1264 . 9 2 2 B 30 30 ASN HA H 30 4.740 4.594 0.146 1
1 1267 . 9 2 2 B 30 30 ASN C C 30 175.120 175.429 -0.309 1
1 1268 . 9 2 2 B 30 30 ASN CA C 30 53.230 54.339 -1.109 1
1 1269 . 9 2 2 B 30 30 ASN CB C 30 38.550 38.751 -0.201 1
1 1270 . 9 2 2 B 30 30 ASN N N 30 118.720 124.158 -5.438 1
1 1271 . 9 2 2 B 31 31 VAL H H 31 8.010 8.923 -0.913 1
1 1272 . 9 2 2 B 31 31 VAL HA H 31 4.150 4.310 -0.160 1
1 1277 . 9 2 2 B 31 31 VAL C C 31 175.990 175.751 0.239 1
1 1278 . 9 2 2 B 31 31 VAL CA C 31 62.270 62.270 0.000 1
1 1279 . 9 2 2 B 31 31 VAL CB C 31 31.820 32.786 -0.966 1
1 1281 . 9 2 2 B 31 31 VAL N N 31 118.920 123.464 -4.544 1
1 1282 . 9 2 2 B 32 32 LEU H H 32 8.190 8.328 -0.138 1
1 1283 . 9 2 2 B 32 32 LEU HA H 32 4.420 4.480 -0.060 1
1 1292 . 9 2 2 B 32 32 LEU C C 32 176.960 176.428 0.532 1
1 1293 . 9 2 2 B 32 32 LEU CA C 32 54.490 54.548 -0.058 1
1 1294 . 9 2 2 B 32 32 LEU CB C 32 41.800 41.619 0.181 1
1 1298 . 9 2 2 B 32 32 LEU N N 32 123.760 127.346 -3.586 1
1 1299 . 9 2 2 B 33 33 SER H H 33 7.920 7.480 0.440 1
1 1300 . 9 2 2 B 33 33 SER HA H 33 4.790 4.326 0.464 1
1 1303 . 9 2 2 B 33 33 SER C C 33 172.710 173.520 -0.810 1
1 1304 . 9 2 2 B 33 33 SER CA C 33 55.970 56.959 -0.989 1
1 1305 . 9 2 2 B 33 33 SER CB C 33 63.020 63.410 -0.390 1
1 1306 . 9 2 2 B 33 33 SER N N 33 117.150 117.308 -0.158 1
1 1307 . 9 2 2 B 34 34 PRO HA H 34 4.510 4.598 -0.088 1
1 1314 . 9 2 2 B 34 34 PRO C C 34 176.750 175.708 1.042 1
1 1315 . 9 2 2 B 34 34 PRO CA C 34 62.690 63.094 -0.404 1
1 1316 . 9 2 2 B 34 34 PRO CB C 34 31.420 32.384 -0.964 1
1 1319 . 9 2 2 B 35 35 LEU H H 35 8.200 8.246 -0.046 1
1 1320 . 9 2 2 B 35 35 LEU HA H 35 4.620 4.929 -0.309 1
1 1326 . 9 2 2 B 35 35 LEU C C 35 175.560 174.676 0.884 1
1 1327 . 9 2 2 B 35 35 LEU CA C 35 52.710 51.427 1.283 1
1 1328 . 9 2 2 B 35 35 LEU CB C 35 41.280 42.132 -0.852 1
1 1331 . 9 2 2 B 35 35 LEU N N 35 123.000 123.139 -0.139 1
1 1332 . 9 2 2 B 36 36 PRO HA H 36 4.850 4.531 0.319 1
1 1339 . 9 2 2 B 36 36 PRO C C 36 176.970 177.662 -0.692 1
1 1340 . 9 2 2 B 36 36 PRO CA C 36 62.690 62.991 -0.301 1
1 1341 . 9 2 2 B 36 36 PRO CB C 36 31.420 32.635 -1.215 1
1 1344 . 9 2 2 B 37 37 SER H H 37 8.280 8.740 -0.460 1
1 1345 . 9 2 2 B 37 37 SER HA H 37 4.520 4.153 0.367 1
1 1347 . 9 2 2 B 37 37 SER C C 37 174.580 174.530 0.050 1
1 1348 . 9 2 2 B 37 37 SER CA C 37 55.870 61.091 -5.221 1
1 1349 . 9 2 2 B 37 37 SER CB C 37 63.360 62.923 0.437 1
1 1350 . 9 2 2 B 37 37 SER N N 37 115.170 118.667 -3.497 1
1 1351 . 9 2 2 B 38 38 GLN H H 38 8.310 7.632 0.678 1
1 1352 . 9 2 2 B 38 38 GLN HA H 38 4.410 4.647 -0.237 1
1 1356 . 9 2 2 B 38 38 GLN C C 38 174.650 174.702 -0.052 1
1 1357 . 9 2 2 B 38 38 GLN CA C 38 55.550 54.907 0.643 1
1 1358 . 9 2 2 B 38 38 GLN CB C 38 29.190 30.439 -1.249 1
1 1360 . 9 2 2 B 38 38 GLN N N 38 122.270 121.184 1.086 1
1 1 . 10 1 1 A 2 2 THR C C 2 174.280 175.112 -0.832 1
1 2 . 10 1 1 A 2 2 THR CA C 2 61.820 65.546 -3.726 1
1 3 . 10 1 1 A 2 2 THR CB C 2 69.660 68.743 0.917 1
1 4 . 10 1 1 A 3 3 GLN H H 3 8.502 7.644 0.858 1
1 5 . 10 1 1 A 3 3 GLN HA H 3 4.485 4.105 0.380 1
1 9 . 10 1 1 A 3 3 GLN C C 3 175.680 176.276 -0.596 1
1 10 . 10 1 1 A 3 3 GLN CA C 3 55.490 57.240 -1.750 1
1 11 . 10 1 1 A 3 3 GLN CB C 3 28.570 29.135 -0.565 1
1 13 . 10 1 1 A 3 3 GLN N N 3 123.346 123.526 -0.180 1
1 14 . 10 1 1 A 4 4 SER H H 4 8.586 8.444 0.142 1
1 15 . 10 1 1 A 4 4 SER HA H 4 4.860 4.775 0.085 1
1 18 . 10 1 1 A 4 4 SER C C 4 173.240 173.434 -0.194 1
1 19 . 10 1 1 A 4 4 SER CA C 4 56.280 56.145 0.135 1
1 20 . 10 1 1 A 4 4 SER CB C 4 63.080 65.290 -2.210 1
1 21 . 10 1 1 A 4 4 SER N N 4 119.430 117.755 1.675 1
1 22 . 10 1 1 A 5 5 PRO HA H 5 4.490 4.214 0.276 1
1 29 . 10 1 1 A 5 5 PRO C C 5 178.020 178.408 -0.388 1
1 30 . 10 1 1 A 5 5 PRO CA C 5 63.740 65.333 -1.593 1
1 31 . 10 1 1 A 5 5 PRO CB C 5 30.120 31.648 -1.528 1
1 34 . 10 1 1 A 6 6 GLY H H 6 8.420 8.511 -0.091 1
1 35 . 10 1 1 A 6 6 GLY HA3 H 6 3.980 3.858 0.122 1
1 36 . 10 1 1 A 6 6 GLY C C 6 174.600 175.285 -0.685 1
1 37 . 10 1 1 A 6 6 GLY CA C 6 45.580 46.715 -1.135 1
1 38 . 10 1 1 A 6 6 GLY N N 6 108.250 105.444 2.806 1
1 39 . 10 1 1 A 7 7 ASP H H 7 8.080 8.471 -0.391 1
1 40 . 10 1 1 A 7 7 ASP HA H 7 4.660 4.470 0.190 1
1 42 . 10 1 1 A 7 7 ASP C C 7 177.440 178.304 -0.864 1
1 43 . 10 1 1 A 7 7 ASP CA C 7 54.960 56.337 -1.377 1
1 44 . 10 1 1 A 7 7 ASP CB C 7 40.740 40.773 -0.033 1
1 45 . 10 1 1 A 7 7 ASP N N 7 121.210 121.958 -0.748 1
1 46 . 10 1 1 A 8 8 SER H H 8 8.363 7.940 0.423 1
1 47 . 10 1 1 A 8 8 SER HA H 8 4.330 4.177 0.153 1
1 49 . 10 1 1 A 8 8 SER C C 8 177.520 177.145 0.375 1
1 50 . 10 1 1 A 8 8 SER CA C 8 59.990 61.175 -1.185 1
1 51 . 10 1 1 A 8 8 SER CB C 8 62.540 63.150 -0.610 1
1 52 . 10 1 1 A 8 8 SER N N 8 117.020 115.039 1.981 1
1 53 . 10 1 1 A 9 9 ARG H H 9 8.270 8.147 0.123 1
1 54 . 10 1 1 A 9 9 ARG HA H 9 4.820 4.130 0.690 1
1 59 . 10 1 1 A 9 9 ARG C C 9 177.800 178.936 -1.136 1
1 60 . 10 1 1 A 9 9 ARG CA C 9 58.170 58.932 -0.762 1
1 61 . 10 1 1 A 9 9 ARG CB C 9 29.490 29.627 -0.137 1
1 64 . 10 1 1 A 9 9 ARG N N 9 123.050 121.856 1.194 1
1 65 . 10 1 1 A 10 10 ARG H H 10 8.030 7.416 0.614 1
1 66 . 10 1 1 A 10 10 ARG HA H 10 4.100 4.038 0.062 1
1 73 . 10 1 1 A 10 10 ARG C C 10 177.900 178.807 -0.907 1
1 74 . 10 1 1 A 10 10 ARG CA C 10 57.100 58.876 -1.776 1
1 75 . 10 1 1 A 10 10 ARG CB C 10 29.490 29.841 -0.351 1
1 78 . 10 1 1 A 10 10 ARG N N 10 119.730 118.983 0.747 1
1 79 . 10 1 1 A 11 11 LEU H H 11 8.100 8.324 -0.224 1
1 80 . 10 1 1 A 11 11 LEU HA H 11 4.220 4.110 0.110 1
1 87 . 10 1 1 A 11 11 LEU C C 11 178.600 179.159 -0.559 1
1 88 . 10 1 1 A 11 11 LEU CA C 11 57.100 56.779 0.321 1
1 89 . 10 1 1 A 11 11 LEU CB C 11 41.270 41.839 -0.569 1
1 92 . 10 1 1 A 11 11 LEU N N 11 120.770 120.795 -0.025 1
1 93 . 10 1 1 A 12 12 SER H H 12 8.052 8.299 -0.247 1
1 94 . 10 1 1 A 12 12 SER HA H 12 4.250 4.151 0.099 1
1 97 . 10 1 1 A 12 12 SER C C 12 178.790 176.492 2.298 1
1 98 . 10 1 1 A 12 12 SER CA C 12 60.960 61.444 -0.484 1
1 99 . 10 1 1 A 12 12 SER CB C 12 62.580 62.902 -0.322 1
1 100 . 10 1 1 A 12 12 SER N N 12 115.760 114.172 1.588 1
1 101 . 10 1 1 A 13 13 ILE H H 13 8.000 7.717 0.283 1
1 102 . 10 1 1 A 13 13 ILE HA H 13 3.730 3.828 -0.098 1
1 112 . 10 1 1 A 13 13 ILE C C 13 179.740 178.020 1.720 1
1 113 . 10 1 1 A 13 13 ILE CA C 13 64.920 64.400 0.520 1
1 114 . 10 1 1 A 13 13 ILE CB C 13 37.200 37.213 -0.013 1
1 118 . 10 1 1 A 13 13 ILE N N 13 123.290 118.767 4.523 1
1 119 . 10 1 1 A 14 14 GLN H H 14 8.110 8.011 0.099 1
1 120 . 10 1 1 A 14 14 GLN HA H 14 4.030 3.911 0.119 1
1 124 . 10 1 1 A 14 14 GLN C C 14 178.850 178.591 0.259 1
1 125 . 10 1 1 A 14 14 GLN CA C 14 59.170 59.168 0.002 1
1 126 . 10 1 1 A 14 14 GLN CB C 14 27.810 28.193 -0.383 1
1 128 . 10 1 1 A 14 14 GLN N N 14 119.020 121.003 -1.983 1
1 129 . 10 1 1 A 15 15 ARG H H 15 8.360 7.802 0.558 1
1 130 . 10 1 1 A 15 15 ARG HA H 15 3.980 3.993 -0.013 1
1 137 . 10 1 1 A 15 15 ARG C C 15 177.020 178.775 -1.755 1
1 138 . 10 1 1 A 15 15 ARG CA C 15 59.030 59.030 0.000 1
1 139 . 10 1 1 A 15 15 ARG CB C 15 29.460 30.031 -0.571 1
1 142 . 10 1 1 A 15 15 ARG N N 15 118.820 119.472 -0.652 1
1 143 . 10 1 1 A 16 16 ALA H H 16 8.000 7.677 0.323 1
1 144 . 10 1 1 A 16 16 ALA HA H 16 4.230 4.070 0.160 1
1 148 . 10 1 1 A 16 16 ALA C C 16 179.750 179.887 -0.137 1
1 149 . 10 1 1 A 16 16 ALA CA C 16 55.190 54.963 0.227 1
1 150 . 10 1 1 A 16 16 ALA CB C 16 18.020 18.105 -0.085 1
1 151 . 10 1 1 A 16 16 ALA N N 16 123.800 121.674 2.126 1
1 152 . 10 1 1 A 17 17 ILE H H 17 8.490 9.312 -0.822 1
1 153 . 10 1 1 A 17 17 ILE HA H 17 3.760 3.577 0.183 1
1 163 . 10 1 1 A 17 17 ILE C C 17 178.300 178.261 0.039 1
1 164 . 10 1 1 A 17 17 ILE CA C 17 64.710 65.580 -0.870 1
1 165 . 10 1 1 A 17 17 ILE CB C 17 36.560 37.604 -1.044 1
1 169 . 10 1 1 A 17 17 ILE N N 17 118.260 118.929 -0.669 1
1 170 . 10 1 1 A 18 18 GLN H H 18 8.230 9.205 -0.975 1
1 171 . 10 1 1 A 18 18 GLN HA H 18 4.110 3.937 0.173 1
1 175 . 10 1 1 A 18 18 GLN C C 18 178.950 177.731 1.219 1
1 176 . 10 1 1 A 18 18 GLN CA C 18 59.030 58.873 0.157 1
1 177 . 10 1 1 A 18 18 GLN CB C 18 27.540 28.122 -0.582 1
1 179 . 10 1 1 A 18 18 GLN N N 18 118.800 118.439 0.361 1
1 180 . 10 1 1 A 19 19 SER H H 19 8.230 7.677 0.553 1
1 181 . 10 1 1 A 19 19 SER HA H 19 4.430 4.496 -0.066 1
1 184 . 10 1 1 A 19 19 SER C C 19 176.120 176.990 -0.870 1
1 185 . 10 1 1 A 19 19 SER CA C 19 61.600 61.160 0.440 1
1 186 . 10 1 1 A 19 19 SER CB C 19 62.580 63.047 -0.467 1
1 187 . 10 1 1 A 19 19 SER N N 19 116.040 115.334 0.706 1
1 188 . 10 1 1 A 20 20 LEU H H 20 8.250 9.256 -1.006 1
1 189 . 10 1 1 A 20 20 LEU HA H 20 4.090 4.076 0.014 1
1 199 . 10 1 1 A 20 20 LEU C C 20 177.180 178.592 -1.412 1
1 200 . 10 1 1 A 20 20 LEU CA C 20 58.390 58.099 0.291 1
1 201 . 10 1 1 A 20 20 LEU CB C 20 41.810 41.862 -0.052 1
1 205 . 10 1 1 A 20 20 LEU N N 20 125.460 123.308 2.152 1
1 206 . 10 1 1 A 21 21 VAL H H 21 8.520 9.227 -0.707 1
1 207 . 10 1 1 A 21 21 VAL HA H 21 3.340 3.604 -0.264 1
1 212 . 10 1 1 A 21 21 VAL C C 21 178.430 178.226 0.204 1
1 213 . 10 1 1 A 21 21 VAL CA C 21 66.510 66.550 -0.040 1
1 214 . 10 1 1 A 21 21 VAL CB C 21 31.270 31.501 -0.231 1
1 217 . 10 1 1 A 21 21 VAL N N 21 118.590 119.124 -0.534 1
1 218 . 10 1 1 A 22 22 HIS H H 22 7.950 7.875 0.075 1
1 219 . 10 1 1 A 22 22 HIS HA H 22 4.260 4.205 0.055 1
1 222 . 10 1 1 A 22 22 HIS C C 22 178.020 177.493 0.527 1
1 223 . 10 1 1 A 22 22 HIS CA C 22 59.770 59.885 -0.115 1
1 224 . 10 1 1 A 22 22 HIS CB C 22 27.230 29.696 -2.466 1
1 225 . 10 1 1 A 22 22 HIS N N 22 115.760 119.188 -3.428 1
1 226 . 10 1 1 A 23 23 ALA H H 23 8.580 9.529 -0.949 1
1 227 . 10 1 1 A 23 23 ALA HA H 23 4.190 3.997 0.193 1
1 231 . 10 1 1 A 23 23 ALA C C 23 179.210 178.915 0.295 1
1 232 . 10 1 1 A 23 23 ALA CA C 23 54.420 54.815 -0.395 1
1 233 . 10 1 1 A 23 23 ALA CB C 23 19.010 17.919 1.091 1
1 234 . 10 1 1 A 23 23 ALA N N 23 121.190 120.806 0.384 1
1 235 . 10 1 1 A 24 24 ALA H H 24 8.240 8.204 0.036 1
1 236 . 10 1 1 A 24 24 ALA HA H 24 4.110 4.124 -0.014 1
1 240 . 10 1 1 A 24 24 ALA C C 24 177.610 177.964 -0.354 1
1 241 . 10 1 1 A 24 24 ALA CA C 24 53.540 52.868 0.672 1
1 242 . 10 1 1 A 24 24 ALA CB C 24 18.060 18.971 -0.911 1
1 243 . 10 1 1 A 24 24 ALA N N 24 116.530 118.679 -2.149 1
1 244 . 10 1 1 A 25 25 GLN H H 25 7.230 7.747 -0.517 1
1 245 . 10 1 1 A 25 25 GLN HA H 25 4.540 4.425 0.115 1
1 250 . 10 1 1 A 25 25 GLN C C 25 174.530 176.261 -1.731 1
1 251 . 10 1 1 A 25 25 GLN CA C 25 54.400 56.333 -1.933 1
1 252 . 10 1 1 A 25 25 GLN CB C 25 30.090 31.267 -1.177 1
1 254 . 10 1 1 A 25 25 GLN N N 25 112.050 114.592 -2.542 1
1 255 . 10 1 1 A 26 26 CYS H H 26 7.320 8.662 -1.342 1
1 256 . 10 1 1 A 26 26 CYS HA H 26 3.920 4.431 -0.511 1
1 259 . 10 1 1 A 26 26 CYS C C 26 176.230 174.392 1.838 1
1 260 . 10 1 1 A 26 26 CYS CA C 26 60.480 57.559 2.921 1
1 261 . 10 1 1 A 26 26 CYS CB C 26 28.470 26.778 1.692 1
1 262 . 10 1 1 A 26 26 CYS N N 26 124.310 119.172 5.138 1
1 263 . 10 1 1 A 27 27 ARG H H 27 8.840 8.575 0.265 1
1 264 . 10 1 1 A 27 27 ARG HA H 27 4.650 4.367 0.283 1
1 271 . 10 1 1 A 27 27 ARG C C 27 175.270 176.218 -0.948 1
1 272 . 10 1 1 A 27 27 ARG CA C 27 54.320 55.072 -0.752 1
1 273 . 10 1 1 A 27 27 ARG CB C 27 29.490 28.462 1.028 1
1 276 . 10 1 1 A 27 27 ARG N N 27 129.620 128.194 1.426 1
1 277 . 10 1 1 A 28 28 ASN H H 28 7.930 7.794 0.136 1
1 278 . 10 1 1 A 28 28 ASN HA H 28 4.890 4.409 0.481 1
1 281 . 10 1 1 A 28 28 ASN C C 28 175.240 175.128 0.112 1
1 282 . 10 1 1 A 28 28 ASN CA C 28 51.540 56.175 -4.635 1
1 283 . 10 1 1 A 28 28 ASN CB C 28 38.460 39.146 -0.686 1
1 284 . 10 1 1 A 28 28 ASN N N 28 120.580 122.651 -2.071 1
1 285 . 10 1 1 A 29 29 ALA H H 29 9.100 7.893 1.207 1
1 286 . 10 1 1 A 29 29 ALA HA H 29 4.120 3.956 0.164 1
1 290 . 10 1 1 A 29 29 ALA C C 29 178.010 177.384 0.626 1
1 291 . 10 1 1 A 29 29 ALA CA C 29 54.040 55.126 -1.086 1
1 292 . 10 1 1 A 29 29 ALA CB C 29 18.020 16.950 1.070 1
1 293 . 10 1 1 A 29 29 ALA N N 29 130.290 120.645 9.645 1
1 294 . 10 1 1 A 30 30 ASN H H 30 8.080 7.884 0.196 1
1 295 . 10 1 1 A 30 30 ASN HA H 30 4.900 4.871 0.029 1
1 298 . 10 1 1 A 30 30 ASN C C 30 174.150 174.918 -0.768 1
1 299 . 10 1 1 A 30 30 ASN CA C 30 51.490 53.210 -1.720 1
1 300 . 10 1 1 A 30 30 ASN CB C 30 38.200 38.989 -0.789 1
1 301 . 10 1 1 A 30 30 ASN N N 30 114.290 114.842 -0.552 1
1 302 . 10 1 1 A 31 31 CYS H H 31 7.170 7.396 -0.226 1
1 303 . 10 1 1 A 31 31 CYS HA H 31 4.079 4.321 -0.242 1
1 306 . 10 1 1 A 31 31 CYS C C 31 176.800 176.215 0.585 1
1 307 . 10 1 1 A 31 31 CYS CA C 31 61.430 59.992 1.438 1
1 308 . 10 1 1 A 31 31 CYS CB C 31 29.428 28.488 0.940 1
1 309 . 10 1 1 A 31 31 CYS N N 31 123.080 120.750 2.330 1
1 310 . 10 1 1 A 32 32 SER H H 32 8.740 8.873 -0.133 1
1 311 . 10 1 1 A 32 32 SER HA H 32 4.150 4.516 -0.366 1
1 314 . 10 1 1 A 32 32 SER C C 32 174.850 174.141 0.709 1
1 315 . 10 1 1 A 32 32 SER CA C 32 57.570 58.792 -1.222 1
1 316 . 10 1 1 A 32 32 SER CB C 32 63.540 63.699 -0.159 1
1 317 . 10 1 1 A 32 32 SER N N 32 124.210 121.080 3.130 1
1 318 . 10 1 1 A 33 33 LEU H H 33 8.520 7.653 0.867 1
1 319 . 10 1 1 A 33 33 LEU HA H 33 4.570 4.698 -0.128 1
1 329 . 10 1 1 A 33 33 LEU C C 33 176.850 175.835 1.015 1
1 330 . 10 1 1 A 33 33 LEU CA C 33 54.080 51.161 2.919 1
1 331 . 10 1 1 A 33 33 LEU CB C 33 40.420 41.901 -1.481 1
1 335 . 10 1 1 A 33 33 LEU N N 33 128.730 124.326 4.404 1
1 336 . 10 1 1 A 34 34 PRO HA H 34 4.360 4.352 0.008 1
1 343 . 10 1 1 A 34 34 PRO C C 34 178.380 178.052 0.328 1
1 344 . 10 1 1 A 34 34 PRO CA C 34 64.970 65.154 -0.184 1
1 345 . 10 1 1 A 34 34 PRO CB C 34 31.230 31.917 -0.687 1
1 348 . 10 1 1 A 35 35 SER H H 35 8.300 8.464 -0.164 1
1 349 . 10 1 1 A 35 35 SER HA H 35 4.320 4.235 0.085 1
1 352 . 10 1 1 A 35 35 SER C C 35 178.350 176.492 1.858 1
1 353 . 10 1 1 A 35 35 SER CA C 35 59.953 61.383 -1.430 1
1 354 . 10 1 1 A 35 35 SER CB C 35 62.470 62.877 -0.407 1
1 355 . 10 1 1 A 35 35 SER N N 35 111.680 112.872 -1.192 1
1 356 . 10 1 1 A 36 36 CYS H H 36 7.500 9.061 -1.561 1
1 357 . 10 1 1 A 36 36 CYS HA H 36 4.242 4.173 0.069 1
1 360 . 10 1 1 A 36 36 CYS C C 36 176.630 177.133 -0.503 1
1 361 . 10 1 1 A 36 36 CYS CA C 36 63.710 63.596 0.114 1
1 362 . 10 1 1 A 36 36 CYS CB C 36 29.170 27.578 1.592 1
1 363 . 10 1 1 A 36 36 CYS N N 36 125.580 120.356 5.224 1
1 364 . 10 1 1 A 37 37 GLN H H 37 8.170 7.820 0.350 1
1 365 . 10 1 1 A 37 37 GLN HA H 37 4.010 4.002 0.008 1
1 369 . 10 1 1 A 37 37 GLN C C 37 178.900 177.769 1.131 1
1 370 . 10 1 1 A 37 37 GLN CA C 37 59.580 58.762 0.818 1
1 371 . 10 1 1 A 37 37 GLN CB C 37 27.560 28.407 -0.847 1
1 373 . 10 1 1 A 37 37 GLN N N 37 116.020 120.303 -4.283 1
1 374 . 10 1 1 A 38 38 LYS H H 38 7.840 7.663 0.177 1
1 375 . 10 1 1 A 38 38 LYS HA H 38 4.079 4.155 -0.076 1
1 381 . 10 1 1 A 38 38 LYS C C 38 179.300 179.608 -0.308 1
1 382 . 10 1 1 A 38 38 LYS CA C 38 59.280 59.110 0.170 1
1 383 . 10 1 1 A 38 38 LYS CB C 38 32.120 31.986 0.134 1
1 387 . 10 1 1 A 38 38 LYS N N 38 117.000 119.677 -2.677 1
1 388 . 10 1 1 A 39 39 MET H H 39 8.270 8.345 -0.075 1
1 389 . 10 1 1 A 39 39 MET HA H 39 4.580 4.245 0.335 1
1 394 . 10 1 1 A 39 39 MET C C 39 179.710 178.889 0.821 1
1 395 . 10 1 1 A 39 39 MET CA C 39 56.330 58.617 -2.287 1
1 396 . 10 1 1 A 39 39 MET CB C 39 31.180 31.636 -0.456 1
1 398 . 10 1 1 A 39 39 MET N N 39 118.020 117.869 0.151 1
1 399 . 10 1 1 A 40 40 LYS H H 40 9.530 8.885 0.645 1
1 400 . 10 1 1 A 40 40 LYS HA H 40 3.860 4.028 -0.168 1
1 406 . 10 1 1 A 40 40 LYS C C 40 179.620 179.068 0.552 1
1 407 . 10 1 1 A 40 40 LYS CA C 40 61.360 59.989 1.371 1
1 408 . 10 1 1 A 40 40 LYS CB C 40 32.120 32.209 -0.089 1
1 412 . 10 1 1 A 40 40 LYS N N 40 122.280 119.328 2.952 1
1 413 . 10 1 1 A 41 41 ARG H H 41 7.560 7.686 -0.126 1
1 414 . 10 1 1 A 41 41 ARG HA H 41 4.200 4.131 0.069 1
1 421 . 10 1 1 A 41 41 ARG C C 41 179.650 178.891 0.759 1
1 422 . 10 1 1 A 41 41 ARG CA C 41 59.350 58.792 0.558 1
1 423 . 10 1 1 A 41 41 ARG CB C 41 29.300 29.928 -0.628 1
1 426 . 10 1 1 A 41 41 ARG N N 41 117.590 120.006 -2.416 1
1 427 . 10 1 1 A 42 42 VAL H H 42 7.570 7.522 0.048 1
1 428 . 10 1 1 A 42 42 VAL HA H 42 3.670 3.768 -0.098 1
1 436 . 10 1 1 A 42 42 VAL C C 42 177.480 178.455 -0.975 1
1 437 . 10 1 1 A 42 42 VAL CA C 42 66.420 66.207 0.213 1
1 438 . 10 1 1 A 42 42 VAL CB C 42 30.700 31.793 -1.093 1
1 441 . 10 1 1 A 42 42 VAL N N 42 121.450 119.801 1.649 1
1 442 . 10 1 1 A 43 43 VAL H H 43 8.450 8.863 -0.413 1
1 443 . 10 1 1 A 43 43 VAL HA H 43 3.540 3.653 -0.113 1
1 448 . 10 1 1 A 43 43 VAL C C 43 178.950 178.092 0.858 1
1 449 . 10 1 1 A 43 43 VAL CA C 43 66.940 66.578 0.362 1
1 450 . 10 1 1 A 43 43 VAL CB C 43 31.090 31.779 -0.689 1
1 452 . 10 1 1 A 43 43 VAL N N 43 120.380 120.769 -0.389 1
1 453 . 10 1 1 A 44 44 GLN H H 44 8.400 9.619 -1.219 1
1 454 . 10 1 1 A 44 44 GLN HA H 44 4.020 3.996 0.024 1
1 457 . 10 1 1 A 44 44 GLN C C 44 177.240 178.555 -1.315 1
1 458 . 10 1 1 A 44 44 GLN CA C 44 58.550 58.689 -0.139 1
1 459 . 10 1 1 A 44 44 GLN CB C 44 27.550 28.152 -0.602 1
1 461 . 10 1 1 A 44 44 GLN N N 44 119.280 117.754 1.526 1
1 462 . 10 1 1 A 45 45 HIS H H 45 8.070 7.945 0.125 1
1 463 . 10 1 1 A 45 45 HIS HA H 45 4.280 4.279 0.001 1
1 465 . 10 1 1 A 45 45 HIS C C 45 177.800 177.117 0.683 1
1 466 . 10 1 1 A 45 45 HIS CA C 45 59.440 59.243 0.197 1
1 467 . 10 1 1 A 45 45 HIS CB C 45 26.760 29.788 -3.028 1
1 468 . 10 1 1 A 45 45 HIS N N 45 119.000 121.515 -2.515 1
1 469 . 10 1 1 A 46 46 THR H H 46 7.800 8.301 -0.501 1
1 470 . 10 1 1 A 46 46 THR HA H 46 3.870 3.538 0.332 1
1 475 . 10 1 1 A 46 46 THR C C 46 175.850 176.029 -0.179 1
1 476 . 10 1 1 A 46 46 THR CA C 46 65.410 66.979 -1.569 1
1 477 . 10 1 1 A 46 46 THR CB C 46 68.850 68.510 0.340 1
1 479 . 10 1 1 A 46 46 THR N N 46 110.300 115.377 -5.077 1
1 480 . 10 1 1 A 47 47 LYS H H 47 7.310 8.103 -0.793 1
1 481 . 10 1 1 A 47 47 LYS HA H 47 4.100 4.321 -0.221 1
1 488 . 10 1 1 A 47 47 LYS C C 47 177.640 179.894 -2.254 1
1 489 . 10 1 1 A 47 47 LYS CA C 47 58.310 59.321 -1.011 1
1 490 . 10 1 1 A 47 47 LYS CB C 47 31.420 32.059 -0.639 1
1 494 . 10 1 1 A 47 47 LYS N N 47 120.240 119.471 0.769 1
1 495 . 10 1 1 A 48 48 GLY H H 48 7.159 7.658 -0.499 1
1 496 . 10 1 1 A 48 48 GLY HA2 H 48 4.410 3.990 0.420 1
1 497 . 10 1 1 A 48 48 GLY HA3 H 48 3.680 4.001 -0.321 1
1 498 . 10 1 1 A 48 48 GLY C C 48 173.850 174.113 -0.263 1
1 499 . 10 1 1 A 48 48 GLY CA C 48 44.433 46.517 -2.084 1
1 500 . 10 1 1 A 48 48 GLY N N 48 103.360 106.663 -3.303 1
1 501 . 10 1 1 A 49 49 CYS H H 49 6.910 7.695 -0.785 1
1 502 . 10 1 1 A 49 49 CYS HA H 49 4.020 4.570 -0.550 1
1 505 . 10 1 1 A 49 49 CYS C C 49 176.710 174.489 2.221 1
1 506 . 10 1 1 A 49 49 CYS CA C 49 60.620 57.571 3.049 1
1 507 . 10 1 1 A 49 49 CYS CB C 49 29.260 29.608 -0.348 1
1 508 . 10 1 1 A 49 49 CYS N N 49 123.280 120.178 3.102 1
1 509 . 10 1 1 A 50 50 LYS H H 50 8.960 9.116 -0.156 1
1 510 . 10 1 1 A 50 50 LYS HA H 50 3.980 4.243 -0.263 1
1 519 . 10 1 1 A 50 50 LYS C C 50 177.580 178.811 -1.231 1
1 520 . 10 1 1 A 50 50 LYS CA C 50 56.280 58.273 -1.993 1
1 521 . 10 1 1 A 50 50 LYS CB C 50 32.150 32.661 -0.511 1
1 525 . 10 1 1 A 50 50 LYS N N 50 128.200 128.395 -0.195 1
1 526 . 10 1 1 A 51 51 ARG H H 51 8.530 7.934 0.596 1
1 527 . 10 1 1 A 51 51 ARG HA H 51 4.460 4.007 0.453 1
1 533 . 10 1 1 A 51 51 ARG C C 51 176.700 178.575 -1.875 1
1 534 . 10 1 1 A 51 51 ARG CA C 51 57.203 59.352 -2.149 1
1 535 . 10 1 1 A 51 51 ARG CB C 51 30.969 30.063 0.906 1
1 538 . 10 1 1 A 51 51 ARG N N 51 122.350 120.952 1.398 1
1 539 . 10 1 1 A 52 52 LYS H H 52 8.420 7.480 0.940 1
1 540 . 10 1 1 A 52 52 LYS HA H 52 4.470 4.169 0.301 1
1 549 . 10 1 1 A 52 52 LYS C C 52 177.300 179.183 -1.883 1
1 550 . 10 1 1 A 52 52 LYS CA C 52 57.600 58.622 -1.022 1
1 551 . 10 1 1 A 52 52 LYS CB C 52 31.627 31.480 0.147 1
1 555 . 10 1 1 A 52 52 LYS N N 52 118.820 119.187 -0.367 1
1 556 . 10 1 1 A 53 53 THR H H 53 7.760 7.553 0.207 1
1 557 . 10 1 1 A 53 53 THR HA H 53 4.230 4.075 0.155 1
1 562 . 10 1 1 A 53 53 THR C C 53 175.700 175.267 0.433 1
1 563 . 10 1 1 A 53 53 THR CA C 53 63.390 65.871 -2.481 1
1 564 . 10 1 1 A 53 53 THR CB C 53 68.220 68.549 -0.329 1
1 566 . 10 1 1 A 53 53 THR N N 53 112.860 117.583 -4.723 1
1 567 . 10 1 1 A 54 54 ASN H H 54 8.260 8.020 0.240 1
1 568 . 10 1 1 A 54 54 ASN HA H 54 4.110 4.757 -0.647 1
1 570 . 10 1 1 A 54 54 ASN C C 54 175.970 175.633 0.337 1
1 571 . 10 1 1 A 54 54 ASN CA C 54 53.300 53.166 0.134 1
1 572 . 10 1 1 A 54 54 ASN CB C 54 37.810 38.931 -1.121 1
1 573 . 10 1 1 A 54 54 ASN N N 54 119.690 116.542 3.148 1
1 574 . 10 1 1 A 55 55 GLY H H 55 7.960 8.103 -0.143 1
1 575 . 10 1 1 A 55 55 GLY HA2 H 55 4.010 3.949 0.061 1
1 576 . 10 1 1 A 55 55 GLY HA3 H 55 4.010 3.960 0.050 1
1 577 . 10 1 1 A 55 55 GLY C C 55 175.270 175.928 -0.658 1
1 578 . 10 1 1 A 55 55 GLY CA C 55 45.610 45.389 0.221 1
1 579 . 10 1 1 A 55 55 GLY N N 55 107.340 107.014 0.326 1
1 580 . 10 1 1 A 56 56 GLY H H 56 7.820 7.642 0.178 1
1 581 . 10 1 1 A 56 56 GLY HA2 H 56 3.970 3.875 0.095 1
1 582 . 10 1 1 A 56 56 GLY HA3 H 56 3.970 3.878 0.092 1
1 583 . 10 1 1 A 56 56 GLY C C 56 173.320 174.390 -1.070 1
1 584 . 10 1 1 A 56 56 GLY CA C 56 45.350 47.350 -2.000 1
1 585 . 10 1 1 A 56 56 GLY N N 56 107.080 107.643 -0.563 1
1 586 . 10 1 1 A 57 57 CYS H H 57 8.010 7.733 0.277 1
1 587 . 10 1 1 A 57 57 CYS HA H 57 4.870 4.728 0.142 1
1 590 . 10 1 1 A 57 57 CYS C C 57 175.610 174.680 0.930 1
1 591 . 10 1 1 A 57 57 CYS CA C 57 55.340 56.699 -1.359 1
1 592 . 10 1 1 A 57 57 CYS CB C 57 30.160 28.858 1.302 1
1 593 . 10 1 1 A 57 57 CYS N N 57 122.570 118.242 4.328 1
1 594 . 10 1 1 A 58 58 PRO HA H 58 4.320 4.308 0.012 1
1 601 . 10 1 1 A 58 58 PRO CA C 58 64.550 65.231 -0.681 1
1 602 . 10 1 1 A 58 58 PRO CB C 58 32.050 31.862 0.188 1
1 605 . 10 1 1 A 59 59 ILE H H 59 7.917 7.497 0.420 1
1 606 . 10 1 1 A 59 59 ILE HA H 59 3.550 3.869 -0.319 1
1 616 . 10 1 1 A 59 59 ILE C C 59 178.040 177.825 0.215 1
1 617 . 10 1 1 A 59 59 ILE CA C 59 64.540 64.450 0.090 1
1 618 . 10 1 1 A 59 59 ILE CB C 59 38.160 37.995 0.165 1
1 622 . 10 1 1 A 59 59 ILE N N 59 120.680 116.758 3.922 1
1 623 . 10 1 1 A 60 60 CYS H H 60 8.920 8.219 0.701 1
1 624 . 10 1 1 A 60 60 CYS HA H 60 4.105 4.039 0.066 1
1 627 . 10 1 1 A 60 60 CYS C C 60 177.540 177.154 0.386 1
1 628 . 10 1 1 A 60 60 CYS CA C 60 66.000 63.290 2.710 1
1 629 . 10 1 1 A 60 60 CYS CB C 60 28.750 27.496 1.254 1
1 630 . 10 1 1 A 60 60 CYS N N 60 123.890 118.720 5.170 1
1 631 . 10 1 1 A 61 61 LYS H H 61 8.100 8.690 -0.590 1
1 632 . 10 1 1 A 61 61 LYS HA H 61 3.920 3.899 0.021 1
1 639 . 10 1 1 A 61 61 LYS C C 61 179.030 178.365 0.665 1
1 640 . 10 1 1 A 61 61 LYS CA C 61 59.610 59.675 -0.065 1
1 641 . 10 1 1 A 61 61 LYS CB C 61 32.040 32.533 -0.493 1
1 645 . 10 1 1 A 61 61 LYS N N 61 117.130 121.515 -4.385 1
1 646 . 10 1 1 A 62 62 GLN H H 62 7.010 8.360 -1.350 1
1 647 . 10 1 1 A 62 62 GLN HA H 62 4.150 4.080 0.070 1
1 652 . 10 1 1 A 62 62 GLN C C 62 178.340 178.134 0.206 1
1 653 . 10 1 1 A 62 62 GLN CA C 62 58.520 58.621 -0.101 1
1 654 . 10 1 1 A 62 62 GLN CB C 62 27.587 28.211 -0.624 1
1 656 . 10 1 1 A 62 62 GLN N N 62 117.000 118.538 -1.538 1
1 657 . 10 1 1 A 63 63 LEU H H 63 7.980 8.021 -0.041 1
1 658 . 10 1 1 A 63 63 LEU HA H 63 4.160 4.002 0.158 1
1 667 . 10 1 1 A 63 63 LEU C C 63 179.060 178.172 0.888 1
1 668 . 10 1 1 A 63 63 LEU CA C 63 57.830 58.124 -0.294 1
1 669 . 10 1 1 A 63 63 LEU CB C 63 41.270 41.251 0.019 1
1 673 . 10 1 1 A 63 63 LEU N N 63 119.730 121.242 -1.512 1
1 674 . 10 1 1 A 64 64 ILE H H 64 8.481 8.627 -0.146 1
1 675 . 10 1 1 A 64 64 ILE HA H 64 3.650 3.310 0.340 1
1 685 . 10 1 1 A 64 64 ILE C C 64 179.930 178.054 1.876 1
1 686 . 10 1 1 A 64 64 ILE CA C 64 65.220 65.640 -0.420 1
1 687 . 10 1 1 A 64 64 ILE CB C 64 36.960 37.586 -0.626 1
1 691 . 10 1 1 A 64 64 ILE N N 64 120.350 119.705 0.645 1
1 692 . 10 1 1 A 65 65 ALA H H 65 7.300 7.691 -0.391 1
1 693 . 10 1 1 A 65 65 ALA HA H 65 4.200 3.970 0.230 1
1 697 . 10 1 1 A 65 65 ALA C C 65 180.010 179.871 0.139 1
1 698 . 10 1 1 A 65 65 ALA CA C 65 54.940 55.404 -0.464 1
1 699 . 10 1 1 A 65 65 ALA CB C 65 18.010 18.581 -0.571 1
1 700 . 10 1 1 A 65 65 ALA N N 65 122.510 122.641 -0.131 1
1 701 . 10 1 1 A 66 66 LEU H H 66 8.120 8.558 -0.438 1
1 702 . 10 1 1 A 66 66 LEU HA H 66 4.100 4.290 -0.190 1
1 712 . 10 1 1 A 66 66 LEU C C 66 179.480 178.649 0.831 1
1 713 . 10 1 1 A 66 66 LEU CA C 66 57.540 57.871 -0.331 1
1 714 . 10 1 1 A 66 66 LEU CB C 66 41.940 41.334 0.606 1
1 718 . 10 1 1 A 66 66 LEU N N 66 115.490 120.035 -4.545 1
1 719 . 10 1 1 A 67 67 ALA H H 67 8.840 9.143 -0.303 1
1 720 . 10 1 1 A 67 67 ALA HA H 67 4.000 4.141 -0.141 1
1 724 . 10 1 1 A 67 67 ALA C C 67 179.000 179.705 -0.705 1
1 725 . 10 1 1 A 67 67 ALA CA C 67 55.490 55.127 0.363 1
1 726 . 10 1 1 A 67 67 ALA CB C 67 18.460 18.372 0.088 1
1 727 . 10 1 1 A 67 67 ALA N N 67 121.500 120.635 0.865 1
1 728 . 10 1 1 A 68 68 ALA H H 68 8.500 8.107 0.393 1
1 729 . 10 1 1 A 68 68 ALA HA H 68 4.160 3.962 0.198 1
1 733 . 10 1 1 A 68 68 ALA C C 68 179.070 179.527 -0.457 1
1 734 . 10 1 1 A 68 68 ALA CA C 68 55.290 54.898 0.392 1
1 735 . 10 1 1 A 68 68 ALA CB C 68 17.524 18.459 -0.935 1
1 736 . 10 1 1 A 68 68 ALA N N 68 120.100 120.187 -0.087 1
1 737 . 10 1 1 A 69 69 TYR H H 69 7.850 7.982 -0.132 1
1 738 . 10 1 1 A 69 69 TYR HA H 69 4.310 4.347 -0.037 1
1 741 . 10 1 1 A 69 69 TYR CA C 69 56.141 60.924 -4.783 1
1 742 . 10 1 1 A 69 69 TYR CB C 69 37.943 38.185 -0.242 1
1 743 . 10 1 1 A 69 69 TYR N N 69 118.930 115.966 2.964 1
1 744 . 10 1 1 A 70 70 HIS H H 70 7.960 8.058 -0.098 1
1 745 . 10 1 1 A 70 70 HIS HA H 70 4.510 4.255 0.255 1
1 748 . 10 1 1 A 70 70 HIS CA C 70 54.640 60.520 -5.880 1
1 749 . 10 1 1 A 70 70 HIS CB C 70 27.560 29.834 -2.274 1
1 750 . 10 1 1 A 70 70 HIS N N 70 125.790 119.630 6.160 1
1 751 . 10 1 1 A 71 71 ALA H H 71 9.190 9.186 0.004 1
1 752 . 10 1 1 A 71 71 ALA HA H 71 3.960 3.924 0.036 1
1 756 . 10 1 1 A 71 71 ALA C C 71 179.070 179.676 -0.606 1
1 757 . 10 1 1 A 71 71 ALA CA C 71 54.510 54.644 -0.134 1
1 758 . 10 1 1 A 71 71 ALA CB C 71 19.240 18.172 1.068 1
1 759 . 10 1 1 A 71 71 ALA N N 71 121.760 120.931 0.829 1
1 760 . 10 1 1 A 72 72 LYS H H 72 6.950 7.426 -0.476 1
1 761 . 10 1 1 A 72 72 LYS HA H 72 3.920 4.117 -0.197 1
1 770 . 10 1 1 A 72 72 LYS C C 72 176.750 179.055 -2.305 1
1 771 . 10 1 1 A 72 72 LYS CA C 72 57.690 59.010 -1.320 1
1 772 . 10 1 1 A 72 72 LYS CB C 72 31.720 32.838 -1.118 1
1 776 . 10 1 1 A 72 72 LYS N N 72 114.500 117.795 -3.295 1
1 777 . 10 1 1 A 73 73 HIS H H 73 7.140 8.434 -1.294 1
1 778 . 10 1 1 A 73 73 HIS HA H 73 4.830 4.185 0.645 1
1 781 . 10 1 1 A 73 73 HIS C C 73 173.590 175.988 -2.398 1
1 782 . 10 1 1 A 73 73 HIS CA C 73 54.070 59.978 -5.908 1
1 783 . 10 1 1 A 73 73 HIS CB C 73 29.640 30.074 -0.434 1
1 784 . 10 1 1 A 73 73 HIS N N 73 113.180 119.336 -6.156 1
1 785 . 10 1 1 A 74 74 CYS H H 74 7.020 7.981 -0.961 1
1 786 . 10 1 1 A 74 74 CYS HA H 74 4.140 4.365 -0.225 1
1 789 . 10 1 1 A 74 74 CYS C C 74 176.120 175.451 0.669 1
1 790 . 10 1 1 A 74 74 CYS CA C 74 59.829 58.654 1.175 1
1 791 . 10 1 1 A 74 74 CYS CB C 74 29.473 27.724 1.749 1
1 792 . 10 1 1 A 74 74 CYS N N 74 123.590 117.839 5.751 1
1 793 . 10 1 1 A 75 75 GLN H H 75 9.070 8.993 0.077 1
1 794 . 10 1 1 A 75 75 GLN HA H 75 4.705 4.396 0.309 1
1 798 . 10 1 1 A 75 75 GLN C C 75 175.620 175.159 0.461 1
1 799 . 10 1 1 A 75 75 GLN CA C 75 54.290 56.675 -2.385 1
1 800 . 10 1 1 A 75 75 GLN CB C 75 28.760 29.017 -0.257 1
1 802 . 10 1 1 A 75 75 GLN N N 75 128.650 127.982 0.668 1
1 803 . 10 1 1 A 76 76 GLU H H 76 8.260 7.548 0.712 1
1 804 . 10 1 1 A 76 76 GLU HA H 76 4.410 4.862 -0.452 1
1 809 . 10 1 1 A 76 76 GLU C C 76 176.700 175.288 1.412 1
1 810 . 10 1 1 A 76 76 GLU CA C 76 55.510 54.892 0.618 1
1 811 . 10 1 1 A 76 76 GLU CB C 76 29.860 33.167 -3.307 1
1 813 . 10 1 1 A 76 76 GLU N N 76 123.000 119.874 3.126 1
1 814 . 10 1 1 A 77 77 ASN H H 77 8.830 9.072 -0.242 1
1 815 . 10 1 1 A 77 77 ASN HA H 77 4.530 4.771 -0.241 1
1 818 . 10 1 1 A 77 77 ASN C C 77 175.700 175.172 0.528 1
1 819 . 10 1 1 A 77 77 ASN CA C 77 55.030 52.032 2.998 1
1 820 . 10 1 1 A 77 77 ASN CB C 77 38.030 36.656 1.374 1
1 821 . 10 1 1 A 77 77 ASN N N 77 125.100 124.295 0.805 1
1 822 . 10 1 1 A 78 78 LYS H H 78 8.660 8.373 0.287 1
1 823 . 10 1 1 A 78 78 LYS HA H 78 4.440 3.966 0.474 1
1 832 . 10 1 1 A 78 78 LYS C C 78 174.930 176.191 -1.261 1
1 833 . 10 1 1 A 78 78 LYS CA C 78 54.120 59.194 -5.074 1
1 834 . 10 1 1 A 78 78 LYS CB C 78 30.120 32.518 -2.398 1
1 838 . 10 1 1 A 78 78 LYS N N 78 120.580 125.183 -4.603 1
1 839 . 10 1 1 A 79 79 CYS H H 79 7.320 7.802 -0.482 1
1 840 . 10 1 1 A 79 79 CYS HA H 79 4.160 4.496 -0.336 1
1 843 . 10 1 1 A 79 79 CYS C C 79 176.230 174.701 1.529 1
1 844 . 10 1 1 A 79 79 CYS CA C 79 60.480 60.096 0.384 1
1 845 . 10 1 1 A 79 79 CYS CB C 79 28.440 28.066 0.374 1
1 846 . 10 1 1 A 79 79 CYS N N 79 124.350 113.835 10.515 1
1 847 . 10 1 1 A 80 80 PRO HA H 80 4.730 4.350 0.380 1
1 854 . 10 1 1 A 80 80 PRO CA C 80 62.580 64.925 -2.345 1
1 855 . 10 1 1 A 80 80 PRO CB C 80 31.540 31.651 -0.111 1
1 858 . 10 1 1 A 81 81 VAL H H 81 9.030 7.793 1.237 1
1 859 . 10 1 1 A 81 81 VAL HA H 81 3.570 4.144 -0.574 1
1 867 . 10 1 1 A 81 81 VAL CA C 81 62.220 61.109 1.111 1
1 868 . 10 1 1 A 81 81 VAL CB C 81 30.990 31.944 -0.954 1
1 871 . 10 1 1 A 81 81 VAL N N 81 127.570 119.553 8.017 1
1 872 . 10 1 1 A 82 82 PRO HA H 82 4.860 4.183 0.677 1
1 879 . 10 1 1 A 82 82 PRO CA C 82 62.860 65.628 -2.768 1
1 880 . 10 1 1 A 82 82 PRO CB C 82 31.550 31.202 0.348 1
1 883 . 10 1 1 A 83 83 PHE H H 83 6.940 6.890 0.050 1
1 884 . 10 1 1 A 83 83 PHE HA H 83 4.460 4.259 0.201 1
1 887 . 10 1 1 A 83 83 PHE C C 83 177.240 178.371 -1.131 1
1 888 . 10 1 1 A 83 83 PHE CA C 83 59.880 60.798 -0.918 1
1 889 . 10 1 1 A 83 83 PHE CB C 83 37.550 38.264 -0.714 1
1 890 . 10 1 1 A 83 83 PHE N N 83 123.530 117.205 6.325 1
1 891 . 10 1 1 A 84 84 CYS H H 84 7.020 8.310 -1.290 1
1 892 . 10 1 1 A 84 84 CYS HA H 84 4.100 4.227 -0.127 1
1 895 . 10 1 1 A 84 84 CYS CA C 84 66.560 62.266 4.294 1
1 896 . 10 1 1 A 84 84 CYS CB C 84 29.770 27.211 2.559 1
1 897 . 10 1 1 A 84 84 CYS N N 84 111.010 118.335 -7.325 1
1 898 . 10 1 1 A 85 85 LEU H H 85 8.190 7.768 0.422 1
1 899 . 10 1 1 A 85 85 LEU HA H 85 4.130 3.929 0.201 1
1 908 . 10 1 1 A 85 85 LEU C C 85 178.700 179.521 -0.821 1
1 909 . 10 1 1 A 85 85 LEU CA C 85 57.450 57.913 -0.463 1
1 910 . 10 1 1 A 85 85 LEU CB C 85 41.720 41.103 0.617 1
1 914 . 10 1 1 A 85 85 LEU N N 85 120.080 121.123 -1.043 1
1 915 . 10 1 1 A 86 86 ASN H H 86 7.740 7.963 -0.223 1
1 916 . 10 1 1 A 86 86 ASN HA H 86 4.530 4.549 -0.019 1
1 919 . 10 1 1 A 86 86 ASN C C 86 177.040 176.722 0.318 1
1 920 . 10 1 1 A 86 86 ASN CA C 86 55.510 56.501 -0.991 1
1 921 . 10 1 1 A 86 86 ASN CB C 86 38.650 38.233 0.417 1
1 922 . 10 1 1 A 86 86 ASN N N 86 115.410 118.521 -3.111 1
1 923 . 10 1 1 A 87 87 ILE H H 87 8.190 7.681 0.509 1
1 924 . 10 1 1 A 87 87 ILE HA H 87 3.960 3.945 0.015 1
1 934 . 10 1 1 A 87 87 ILE C C 87 177.980 178.179 -0.199 1
1 935 . 10 1 1 A 87 87 ILE CA C 87 63.050 63.565 -0.515 1
1 936 . 10 1 1 A 87 87 ILE CB C 87 36.950 38.344 -1.394 1
1 940 . 10 1 1 A 87 87 ILE N N 87 120.100 118.714 1.386 1
1 941 . 10 1 1 A 88 88 LYS H H 88 8.300 9.131 -0.831 1
1 942 . 10 1 1 A 88 88 LYS HA H 88 4.160 4.043 0.117 1
1 949 . 10 1 1 A 88 88 LYS C C 88 179.730 179.058 0.672 1
1 950 . 10 1 1 A 88 88 LYS CA C 88 59.030 59.548 -0.518 1
1 951 . 10 1 1 A 88 88 LYS CB C 88 27.530 32.527 -4.997 1
1 953 . 10 1 1 A 88 88 LYS N N 88 118.760 119.955 -1.195 1
1 954 . 10 1 1 A 89 89 GLN H H 89 8.730 7.743 0.987 1
1 955 . 10 1 1 A 89 89 GLN HA H 89 4.440 4.138 0.302 1
1 958 . 10 1 1 A 89 89 GLN CA C 89 56.350 58.653 -2.303 1
1 959 . 10 1 1 A 89 89 GLN CB C 89 27.750 28.178 -0.428 1
1 961 . 10 1 1 A 89 89 GLN N N 89 122.660 119.694 2.966 1
1 978 . 10 2 2 B 2 2 GLU C C 2 176.270 176.607 -0.337 1
1 979 . 10 2 2 B 2 2 GLU CA C 2 56.070 57.423 -1.353 1
1 980 . 10 2 2 B 2 2 GLU CB C 2 29.100 30.142 -1.042 1
1 981 . 10 2 2 B 3 3 GLU HA H 3 4.650 4.440 0.210 1
1 986 . 10 2 2 B 3 3 GLU C C 3 176.270 176.874 -0.604 1
1 987 . 10 2 2 B 3 3 GLU CA C 3 53.970 57.577 -3.607 1
1 988 . 10 2 2 B 3 3 GLU CB C 3 29.200 32.221 -3.021 1
1 990 . 10 2 2 B 4 4 PRO HA H 4 4.510 4.289 0.221 1
1 997 . 10 2 2 B 4 4 PRO C C 4 181.100 177.001 4.099 1
1 998 . 10 2 2 B 4 4 PRO CA C 4 62.900 64.590 -1.690 1
1 999 . 10 2 2 B 4 4 PRO CB C 4 31.402 31.705 -0.303 1
1 1002 . 10 2 2 B 5 5 GLN H H 5 8.530 7.895 0.635 1
1 1003 . 10 2 2 B 5 5 GLN HA H 5 4.430 3.999 0.431 1
1 1007 . 10 2 2 B 5 5 GLN C C 5 176.100 175.255 0.845 1
1 1008 . 10 2 2 B 5 5 GLN CA C 5 53.450 56.397 -2.947 1
1 1009 . 10 2 2 B 5 5 GLN CB C 5 28.990 26.519 2.471 1
1 1011 . 10 2 2 B 5 5 GLN N N 5 120.510 116.166 4.344 1
1 1012 . 10 2 2 B 6 6 SER H H 6 8.330 7.928 0.402 1
1 1013 . 10 2 2 B 6 6 SER HA H 6 4.500 4.294 0.206 1
1 1015 . 10 2 2 B 6 6 SER C C 6 173.920 174.384 -0.464 1
1 1016 . 10 2 2 B 6 6 SER CA C 6 57.860 58.879 -1.019 1
1 1017 . 10 2 2 B 6 6 SER CB C 6 63.230 63.555 -0.325 1
1 1018 . 10 2 2 B 6 6 SER N N 6 117.080 114.012 3.068 1
1 1019 . 10 2 2 B 7 7 ASP H H 7 8.380 8.818 -0.438 1
1 1020 . 10 2 2 B 7 7 ASP HA H 7 4.960 4.569 0.391 1
1 1023 . 10 2 2 B 7 7 ASP C C 7 174.780 176.719 -1.939 1
1 1024 . 10 2 2 B 7 7 ASP CA C 7 51.960 57.848 -5.888 1
1 1025 . 10 2 2 B 7 7 ASP CB C 7 40.850 40.755 0.095 1
1 1026 . 10 2 2 B 7 7 ASP N N 7 123.030 127.609 -4.579 1
1 1027 . 10 2 2 B 8 8 PRO HA H 8 4.450 4.277 0.173 1
1 1034 . 10 2 2 B 8 8 PRO C C 8 177.080 178.152 -1.072 1
1 1035 . 10 2 2 B 8 8 PRO CA C 8 63.520 65.786 -2.266 1
1 1036 . 10 2 2 B 8 8 PRO CB C 8 31.612 30.729 0.883 1
1 1039 . 10 2 2 B 9 9 SER H H 9 8.520 8.075 0.445 1
1 1040 . 10 2 2 B 9 9 SER HA H 9 4.450 4.457 -0.007 1
1 1042 . 10 2 2 B 9 9 SER C C 9 174.420 174.470 -0.050 1
1 1043 . 10 2 2 B 9 9 SER CA C 9 58.590 58.525 0.065 1
1 1044 . 10 2 2 B 9 9 SER CB C 9 63.330 64.392 -1.062 1
1 1045 . 10 2 2 B 9 9 SER N N 9 116.010 110.191 5.819 1
1 1046 . 10 2 2 B 10 10 VAL H H 10 7.771 7.611 0.160 1
1 1047 . 10 2 2 B 10 10 VAL HA H 10 4.200 4.107 0.093 1
1 1055 . 10 2 2 B 10 10 VAL C C 10 174.430 174.682 -0.252 1
1 1056 . 10 2 2 B 10 10 VAL CA C 10 61.330 62.038 -0.708 1
1 1057 . 10 2 2 B 10 10 VAL CB C 10 32.340 30.522 1.818 1
1 1060 . 10 2 2 B 10 10 VAL N N 10 121.350 123.384 -2.034 1
1 1061 . 10 2 2 B 11 11 GLU H H 11 8.000 8.561 -0.561 1
1 1062 . 10 2 2 B 11 11 GLU HA H 11 4.660 4.930 -0.270 1
1 1067 . 10 2 2 B 11 11 GLU C C 11 173.740 174.645 -0.905 1
1 1068 . 10 2 2 B 11 11 GLU CA C 11 53.130 53.279 -0.149 1
1 1069 . 10 2 2 B 11 11 GLU CB C 11 29.826 30.726 -0.900 1
1 1071 . 10 2 2 B 11 11 GLU N N 11 125.070 126.966 -1.896 1
1 1072 . 10 2 2 B 12 12 PRO HA H 12 4.520 4.444 0.076 1
1 1079 . 10 2 2 B 12 12 PRO CA C 12 63.570 63.228 0.342 1
1 1080 . 10 2 2 B 12 12 PRO CB C 12 31.350 31.654 -0.304 1
1 1083 . 10 2 2 B 13 13 PRO HA H 13 4.510 4.502 0.008 1
1 1090 . 10 2 2 B 13 13 PRO C C 13 175.980 177.277 -1.297 1
1 1091 . 10 2 2 B 13 13 PRO CB C 13 31.720 32.285 -0.565 1
1 1094 . 10 2 2 B 14 14 LEU H H 14 7.900 8.920 -1.020 1
1 1095 . 10 2 2 B 14 14 LEU HA H 14 4.480 4.491 -0.011 1
1 1101 . 10 2 2 B 14 14 LEU C C 14 177.260 177.033 0.227 1
1 1102 . 10 2 2 B 14 14 LEU CA C 14 52.290 54.519 -2.229 1
1 1103 . 10 2 2 B 14 14 LEU CB C 14 41.270 42.270 -1.000 1
1 1106 . 10 2 2 B 14 14 LEU N N 14 120.860 122.296 -1.436 1
1 1107 . 10 2 2 B 15 15 SER H H 15 8.620 8.384 0.236 1
1 1108 . 10 2 2 B 15 15 SER HA H 15 4.510 4.531 -0.021 1
1 1111 . 10 2 2 B 15 15 SER C C 15 175.040 174.692 0.348 1
1 1112 . 10 2 2 B 15 15 SER CA C 15 57.330 60.375 -3.045 1
1 1113 . 10 2 2 B 15 15 SER CB C 15 63.960 61.536 2.424 1
1 1114 . 10 2 2 B 15 15 SER N N 15 117.360 113.765 3.595 1
1 1115 . 10 2 2 B 16 16 GLN H H 16 8.700 8.018 0.682 1
1 1116 . 10 2 2 B 16 16 GLN HA H 16 4.400 4.925 -0.525 1
1 1120 . 10 2 2 B 16 16 GLN C C 16 176.280 176.514 -0.234 1
1 1121 . 10 2 2 B 16 16 GLN CA C 16 56.170 55.245 0.925 1
1 1122 . 10 2 2 B 16 16 GLN CB C 16 29.310 29.499 -0.189 1
1 1124 . 10 2 2 B 16 16 GLN N N 16 122.480 118.165 4.315 1
1 1125 . 10 2 2 B 18 18 THR H H 18 7.860 8.034 -0.174 1
1 1126 . 10 2 2 B 18 18 THR HA H 18 4.080 4.021 0.059 1
1 1131 . 10 2 2 B 18 18 THR C C 18 175.900 176.304 -0.404 1
1 1132 . 10 2 2 B 18 18 THR CA C 18 66.280 66.335 -0.055 1
1 1133 . 10 2 2 B 18 18 THR CB C 18 67.550 68.781 -1.231 1
1 1135 . 10 2 2 B 18 18 THR N N 18 116.790 115.575 1.215 1
1 1136 . 10 2 2 B 19 19 PHE H H 19 8.640 8.576 0.064 1
1 1137 . 10 2 2 B 19 19 PHE HA H 19 4.340 4.367 -0.027 1
1 1140 . 10 2 2 B 19 19 PHE C C 19 176.340 178.343 -2.003 1
1 1141 . 10 2 2 B 19 19 PHE CA C 19 59.680 61.397 -1.717 1
1 1142 . 10 2 2 B 19 19 PHE CB C 19 38.070 39.193 -1.123 1
1 1143 . 10 2 2 B 19 19 PHE N N 19 120.710 120.707 0.003 1
1 1144 . 10 2 2 B 20 20 SER H H 20 8.260 9.095 -0.835 1
1 1145 . 10 2 2 B 20 20 SER C C 20 176.100 176.673 -0.573 1
1 1146 . 10 2 2 B 20 20 SER CA C 20 61.280 61.735 -0.455 1
1 1147 . 10 2 2 B 20 20 SER CB C 20 61.980 63.297 -1.317 1
1 1148 . 10 2 2 B 20 20 SER N N 20 114.000 114.546 -0.546 1
1 1149 . 10 2 2 B 21 21 ASP H H 21 7.660 8.006 -0.346 1
1 1150 . 10 2 2 B 21 21 ASP HA H 21 4.520 4.295 0.225 1
1 1153 . 10 2 2 B 21 21 ASP C C 21 177.890 178.693 -0.803 1
1 1154 . 10 2 2 B 21 21 ASP CA C 21 56.070 57.219 -1.149 1
1 1155 . 10 2 2 B 21 21 ASP CB C 21 40.020 40.404 -0.384 1
1 1156 . 10 2 2 B 21 21 ASP N N 21 120.570 121.103 -0.533 1
1 1157 . 10 2 2 B 22 22 LEU H H 22 7.990 8.036 -0.046 1
1 1158 . 10 2 2 B 22 22 LEU HA H 22 3.940 3.991 -0.051 1
1 1165 . 10 2 2 B 22 22 LEU C C 22 178.390 178.873 -0.483 1
1 1166 . 10 2 2 B 22 22 LEU CA C 22 57.440 58.430 -0.990 1
1 1167 . 10 2 2 B 22 22 LEU CB C 22 41.270 41.895 -0.625 1
1 1170 . 10 2 2 B 22 22 LEU N N 22 120.860 119.522 1.338 1
1 1171 . 10 2 2 B 23 23 TRP H H 23 8.920 7.988 0.932 1
1 1172 . 10 2 2 B 23 23 TRP HA H 23 4.200 4.637 -0.437 1
1 1175 . 10 2 2 B 23 23 TRP C C 23 178.090 177.146 0.944 1
1 1176 . 10 2 2 B 23 23 TRP CA C 23 59.310 58.577 0.733 1
1 1177 . 10 2 2 B 23 23 TRP CB C 23 28.550 29.062 -0.512 1
1 1178 . 10 2 2 B 23 23 TRP N N 23 119.580 116.881 2.699 1
1 1179 . 10 2 2 B 24 24 LYS H H 24 7.380 6.824 0.556 1
1 1180 . 10 2 2 B 24 24 LYS HA H 24 4.090 3.745 0.345 1
1 1189 . 10 2 2 B 24 24 LYS C C 24 177.360 177.480 -0.120 1
1 1190 . 10 2 2 B 24 24 LYS CA C 24 57.750 56.452 1.298 1
1 1191 . 10 2 2 B 24 24 LYS CB C 24 31.980 32.086 -0.106 1
1 1195 . 10 2 2 B 24 24 LYS N N 24 116.010 118.040 -2.030 1
1 1196 . 10 2 2 B 25 25 LEU H H 25 7.700 7.586 0.114 1
1 1197 . 10 2 2 B 25 25 LEU HA H 25 4.330 4.508 -0.178 1
1 1207 . 10 2 2 B 25 25 LEU C C 25 177.290 176.025 1.265 1
1 1208 . 10 2 2 B 25 25 LEU CA C 25 54.920 53.958 0.962 1
1 1209 . 10 2 2 B 25 25 LEU CB C 25 42.220 41.414 0.806 1
1 1213 . 10 2 2 B 25 25 LEU N N 25 118.160 117.010 1.150 1
1 1214 . 10 2 2 B 26 26 LEU H H 26 7.350 7.190 0.160 1
1 1215 . 10 2 2 B 26 26 LEU HA H 26 4.540 4.585 -0.045 1
1 1225 . 10 2 2 B 26 26 LEU C C 26 175.090 177.019 -1.929 1
1 1226 . 10 2 2 B 26 26 LEU CA C 26 53.130 53.067 0.063 1
1 1227 . 10 2 2 B 26 26 LEU CB C 26 40.650 41.996 -1.346 1
1 1231 . 10 2 2 B 26 26 LEU N N 26 120.260 119.165 1.095 1
1 1232 . 10 2 2 B 27 27 PRO HA H 27 4.550 4.390 0.160 1
1 1239 . 10 2 2 B 27 27 PRO C C 27 177.410 176.657 0.753 1
1 1240 . 10 2 2 B 27 27 PRO CA C 27 62.420 65.312 -2.892 1
1 1241 . 10 2 2 B 27 27 PRO CB C 27 31.080 31.715 -0.635 1
1 1244 . 10 2 2 B 28 28 GLU H H 28 8.670 8.174 0.496 1
1 1245 . 10 2 2 B 28 28 GLU HA H 28 4.210 4.635 -0.425 1
1 1250 . 10 2 2 B 28 28 GLU C C 28 176.540 175.869 0.671 1
1 1251 . 10 2 2 B 28 28 GLU CA C 28 57.020 54.725 2.295 1
1 1252 . 10 2 2 B 28 28 GLU CB C 28 28.980 32.546 -3.566 1
1 1254 . 10 2 2 B 28 28 GLU N N 28 119.490 116.895 2.595 1
1 1255 . 10 2 2 B 29 29 ASN H H 29 8.220 8.657 -0.437 1
1 1256 . 10 2 2 B 29 29 ASN HA H 29 4.720 4.607 0.113 1
1 1259 . 10 2 2 B 29 29 ASN C C 29 174.980 175.080 -0.100 1
1 1260 . 10 2 2 B 29 29 ASN CA C 29 53.130 53.738 -0.608 1
1 1261 . 10 2 2 B 29 29 ASN CB C 29 38.350 38.558 -0.208 1
1 1262 . 10 2 2 B 29 29 ASN N N 29 118.090 123.397 -5.307 1
1 1263 . 10 2 2 B 30 30 ASN H H 30 8.260 8.135 0.125 1
1 1264 . 10 2 2 B 30 30 ASN HA H 30 4.740 4.596 0.144 1
1 1267 . 10 2 2 B 30 30 ASN C C 30 175.120 175.451 -0.331 1
1 1268 . 10 2 2 B 30 30 ASN CA C 30 53.230 54.380 -1.150 1
1 1269 . 10 2 2 B 30 30 ASN CB C 30 38.550 38.859 -0.309 1
1 1270 . 10 2 2 B 30 30 ASN N N 30 118.720 124.128 -5.408 1
1 1271 . 10 2 2 B 31 31 VAL H H 31 8.010 8.895 -0.885 1
1 1272 . 10 2 2 B 31 31 VAL HA H 31 4.150 4.382 -0.232 1
1 1277 . 10 2 2 B 31 31 VAL C C 31 175.990 175.753 0.237 1
1 1278 . 10 2 2 B 31 31 VAL CA C 31 62.270 61.790 0.480 1
1 1279 . 10 2 2 B 31 31 VAL CB C 31 31.820 33.482 -1.662 1
1 1281 . 10 2 2 B 31 31 VAL N N 31 118.920 122.933 -4.013 1
1 1282 . 10 2 2 B 32 32 LEU H H 32 8.190 8.474 -0.284 1
1 1283 . 10 2 2 B 32 32 LEU HA H 32 4.420 4.417 0.003 1
1 1292 . 10 2 2 B 32 32 LEU C C 32 176.960 176.532 0.428 1
1 1293 . 10 2 2 B 32 32 LEU CA C 32 54.490 54.681 -0.191 1
1 1294 . 10 2 2 B 32 32 LEU CB C 32 41.800 42.000 -0.200 1
1 1298 . 10 2 2 B 32 32 LEU N N 32 123.760 126.447 -2.687 1
1 1299 . 10 2 2 B 33 33 SER H H 33 7.920 7.556 0.364 1
1 1300 . 10 2 2 B 33 33 SER HA H 33 4.790 4.290 0.500 1
1 1303 . 10 2 2 B 33 33 SER C C 33 172.710 173.173 -0.463 1
1 1304 . 10 2 2 B 33 33 SER CA C 33 55.970 56.972 -1.002 1
1 1305 . 10 2 2 B 33 33 SER CB C 33 63.020 63.755 -0.735 1
1 1306 . 10 2 2 B 33 33 SER N N 33 117.150 116.959 0.191 1
1 1307 . 10 2 2 B 34 34 PRO HA H 34 4.510 4.600 -0.090 1
1 1314 . 10 2 2 B 34 34 PRO C C 34 176.750 175.843 0.907 1
1 1315 . 10 2 2 B 34 34 PRO CA C 34 62.690 62.564 0.126 1
1 1316 . 10 2 2 B 34 34 PRO CB C 34 31.420 32.492 -1.072 1
1 1319 . 10 2 2 B 35 35 LEU H H 35 8.200 8.481 -0.281 1
1 1320 . 10 2 2 B 35 35 LEU HA H 35 4.620 4.851 -0.231 1
1 1326 . 10 2 2 B 35 35 LEU C C 35 175.560 175.114 0.446 1
1 1327 . 10 2 2 B 35 35 LEU CA C 35 52.710 52.321 0.389 1
1 1328 . 10 2 2 B 35 35 LEU CB C 35 41.280 42.768 -1.488 1
1 1331 . 10 2 2 B 35 35 LEU N N 35 123.000 122.761 0.239 1
1 1332 . 10 2 2 B 36 36 PRO HA H 36 4.850 4.468 0.382 1
1 1339 . 10 2 2 B 36 36 PRO C C 36 176.970 176.795 0.175 1
1 1340 . 10 2 2 B 36 36 PRO CA C 36 62.690 62.159 0.531 1
1 1341 . 10 2 2 B 36 36 PRO CB C 36 31.420 32.441 -1.021 1
1 1344 . 10 2 2 B 37 37 SER H H 37 8.280 8.579 -0.299 1
1 1345 . 10 2 2 B 37 37 SER HA H 37 4.520 4.286 0.234 1
1 1347 . 10 2 2 B 37 37 SER C C 37 174.580 174.342 0.238 1
1 1348 . 10 2 2 B 37 37 SER CA C 37 55.870 59.982 -4.112 1
1 1349 . 10 2 2 B 37 37 SER CB C 37 63.360 62.966 0.394 1
1 1350 . 10 2 2 B 37 37 SER N N 37 115.170 118.678 -3.508 1
1 1351 . 10 2 2 B 38 38 GLN H H 38 8.310 8.920 -0.610 1
1 1352 . 10 2 2 B 38 38 GLN HA H 38 4.410 4.409 0.001 1
1 1356 . 10 2 2 B 38 38 GLN C C 38 174.650 176.890 -2.240 1
1 1357 . 10 2 2 B 38 38 GLN CA C 38 55.550 57.224 -1.674 1
1 1358 . 10 2 2 B 38 38 GLN CB C 38 29.190 29.839 -0.649 1
1 1360 . 10 2 2 B 38 38 GLN N N 38 122.270 127.707 -5.437 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 80 1.085 1
2 1 1 1 "RMS(OBS, PRED)" CA 88 1.913 1
3 1 1 1 "RMS(OBS, PRED)" CB 84 1.209 1
4 1 1 1 "RMS(OBS, PRED)" H 82 0.620 1
5 1 1 1 "RMS(OBS, PRED)" HA 90 0.261 1
6 1 1 1 "RMS(OBS, PRED)" N 82 3.524 1
7 1 1 2 "RMS(OBS, PRED)" C 35 1.131 1
8 1 1 2 "RMS(OBS, PRED)" CA 35 1.931 1
9 1 1 2 "RMS(OBS, PRED)" CB 36 1.269 1
10 1 1 2 "RMS(OBS, PRED)" H 27 0.524 1
11 1 1 2 "RMS(OBS, PRED)" HA 34 0.232 1
12 1 1 2 "RMS(OBS, PRED)" N 27 2.986 1
13 1 2 1 "RMS(OBS, PRED)" C 80 1.089 1
14 1 2 1 "RMS(OBS, PRED)" CA 88 1.893 1
15 1 2 1 "RMS(OBS, PRED)" CB 84 1.222 1
16 1 2 1 "RMS(OBS, PRED)" H 82 0.623 1
17 1 2 1 "RMS(OBS, PRED)" HA 90 0.270 1
18 1 2 1 "RMS(OBS, PRED)" N 82 3.416 1
19 1 2 2 "RMS(OBS, PRED)" C 35 1.073 1
20 1 2 2 "RMS(OBS, PRED)" CA 35 2.077 1
21 1 2 2 "RMS(OBS, PRED)" CB 36 1.224 1
22 1 2 2 "RMS(OBS, PRED)" H 27 0.557 1
23 1 2 2 "RMS(OBS, PRED)" HA 34 0.265 1
24 1 2 2 "RMS(OBS, PRED)" N 27 3.116 1
25 1 3 1 "RMS(OBS, PRED)" C 80 1.084 1
26 1 3 1 "RMS(OBS, PRED)" CA 88 1.931 1
27 1 3 1 "RMS(OBS, PRED)" CB 84 1.242 1
28 1 3 1 "RMS(OBS, PRED)" H 82 0.628 1
29 1 3 1 "RMS(OBS, PRED)" HA 90 0.269 1
30 1 3 1 "RMS(OBS, PRED)" N 82 3.495 1
31 1 3 2 "RMS(OBS, PRED)" C 35 1.136 1
32 1 3 2 "RMS(OBS, PRED)" CA 35 2.092 1
33 1 3 2 "RMS(OBS, PRED)" CB 36 1.202 1
34 1 3 2 "RMS(OBS, PRED)" H 27 0.616 1
35 1 3 2 "RMS(OBS, PRED)" HA 34 0.253 1
36 1 3 2 "RMS(OBS, PRED)" N 27 3.172 1
37 1 4 1 "RMS(OBS, PRED)" C 80 1.088 1
38 1 4 1 "RMS(OBS, PRED)" CA 88 1.927 1
39 1 4 1 "RMS(OBS, PRED)" CB 84 1.274 1
40 1 4 1 "RMS(OBS, PRED)" H 82 0.619 1
41 1 4 1 "RMS(OBS, PRED)" HA 90 0.268 1
42 1 4 1 "RMS(OBS, PRED)" N 82 3.345 1
43 1 4 2 "RMS(OBS, PRED)" C 35 1.093 1
44 1 4 2 "RMS(OBS, PRED)" CA 35 1.993 1
45 1 4 2 "RMS(OBS, PRED)" CB 36 1.087 1
46 1 4 2 "RMS(OBS, PRED)" H 27 0.566 1
47 1 4 2 "RMS(OBS, PRED)" HA 34 0.241 1
48 1 4 2 "RMS(OBS, PRED)" N 27 2.999 1
49 1 5 1 "RMS(OBS, PRED)" C 80 1.098 1
50 1 5 1 "RMS(OBS, PRED)" CA 88 1.908 1
51 1 5 1 "RMS(OBS, PRED)" CB 84 1.204 1
52 1 5 1 "RMS(OBS, PRED)" H 82 0.618 1
53 1 5 1 "RMS(OBS, PRED)" HA 90 0.258 1
54 1 5 1 "RMS(OBS, PRED)" N 82 3.522 1
55 1 5 2 "RMS(OBS, PRED)" C 35 1.148 1
56 1 5 2 "RMS(OBS, PRED)" CA 35 1.965 1
57 1 5 2 "RMS(OBS, PRED)" CB 36 1.231 1
58 1 5 2 "RMS(OBS, PRED)" H 27 0.549 1
59 1 5 2 "RMS(OBS, PRED)" HA 34 0.243 1
60 1 5 2 "RMS(OBS, PRED)" N 27 3.269 1
61 1 6 1 "RMS(OBS, PRED)" C 80 1.092 1
62 1 6 1 "RMS(OBS, PRED)" CA 88 1.955 1
63 1 6 1 "RMS(OBS, PRED)" CB 84 1.220 1
64 1 6 1 "RMS(OBS, PRED)" H 82 0.629 1
65 1 6 1 "RMS(OBS, PRED)" HA 90 0.267 1
66 1 6 1 "RMS(OBS, PRED)" N 82 3.338 1
67 1 6 2 "RMS(OBS, PRED)" C 35 1.117 1
68 1 6 2 "RMS(OBS, PRED)" CA 35 1.873 1
69 1 6 2 "RMS(OBS, PRED)" CB 36 1.104 1
70 1 6 2 "RMS(OBS, PRED)" H 27 0.532 1
71 1 6 2 "RMS(OBS, PRED)" HA 34 0.264 1
72 1 6 2 "RMS(OBS, PRED)" N 27 2.901 1
73 1 7 1 "RMS(OBS, PRED)" C 80 1.095 1
74 1 7 1 "RMS(OBS, PRED)" CA 88 1.925 1
75 1 7 1 "RMS(OBS, PRED)" CB 84 1.197 1
76 1 7 1 "RMS(OBS, PRED)" H 82 0.621 1
77 1 7 1 "RMS(OBS, PRED)" HA 90 0.260 1
78 1 7 1 "RMS(OBS, PRED)" N 82 3.432 1
79 1 7 2 "RMS(OBS, PRED)" C 35 1.143 1
80 1 7 2 "RMS(OBS, PRED)" CA 35 1.811 1
81 1 7 2 "RMS(OBS, PRED)" CB 36 1.256 1
82 1 7 2 "RMS(OBS, PRED)" H 27 0.533 1
83 1 7 2 "RMS(OBS, PRED)" HA 34 0.246 1
84 1 7 2 "RMS(OBS, PRED)" N 27 3.383 1
85 1 8 1 "RMS(OBS, PRED)" C 80 1.084 1
86 1 8 1 "RMS(OBS, PRED)" CA 88 1.926 1
87 1 8 1 "RMS(OBS, PRED)" CB 84 1.230 1
88 1 8 1 "RMS(OBS, PRED)" H 82 0.618 1
89 1 8 1 "RMS(OBS, PRED)" HA 90 0.265 1
90 1 8 1 "RMS(OBS, PRED)" N 82 3.527 1
91 1 8 2 "RMS(OBS, PRED)" C 35 1.125 1
92 1 8 2 "RMS(OBS, PRED)" CA 35 2.116 1
93 1 8 2 "RMS(OBS, PRED)" CB 36 1.148 1
94 1 8 2 "RMS(OBS, PRED)" H 27 0.565 1
95 1 8 2 "RMS(OBS, PRED)" HA 34 0.251 1
96 1 8 2 "RMS(OBS, PRED)" N 27 3.166 1
97 1 9 1 "RMS(OBS, PRED)" C 80 1.057 1
98 1 9 1 "RMS(OBS, PRED)" CA 88 1.923 1
99 1 9 1 "RMS(OBS, PRED)" CB 84 1.191 1
100 1 9 1 "RMS(OBS, PRED)" H 82 0.628 1
101 1 9 1 "RMS(OBS, PRED)" HA 90 0.267 1
102 1 9 1 "RMS(OBS, PRED)" N 82 3.497 1
103 1 9 2 "RMS(OBS, PRED)" C 35 1.113 1
104 1 9 2 "RMS(OBS, PRED)" CA 35 2.023 1
105 1 9 2 "RMS(OBS, PRED)" CB 36 1.262 1
106 1 9 2 "RMS(OBS, PRED)" H 27 0.527 1
107 1 9 2 "RMS(OBS, PRED)" HA 34 0.238 1
108 1 9 2 "RMS(OBS, PRED)" N 27 3.262 1
109 1 10 1 "RMS(OBS, PRED)" C 80 1.071 1
110 1 10 1 "RMS(OBS, PRED)" CA 88 1.905 1
111 1 10 1 "RMS(OBS, PRED)" CB 84 1.204 1
112 1 10 1 "RMS(OBS, PRED)" H 82 0.623 1
113 1 10 1 "RMS(OBS, PRED)" HA 90 0.269 1
114 1 10 1 "RMS(OBS, PRED)" N 82 3.443 1
115 1 10 2 "RMS(OBS, PRED)" C 35 1.153 1
116 1 10 2 "RMS(OBS, PRED)" CA 35 1.943 1
117 1 10 2 "RMS(OBS, PRED)" CB 36 1.301 1
118 1 10 2 "RMS(OBS, PRED)" H 27 0.516 1
119 1 10 2 "RMS(OBS, PRED)" HA 34 0.251 1
120 1 10 2 "RMS(OBS, PRED)" N 27 3.232 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 4 . 1 1 A 3 3 GLN H H 3 8.502 7.654 0.848 2
1 13 . 1 1 A 3 3 GLN N N 3 123.346 122.563 0.783 2
1 14 . 1 1 A 4 4 SER H H 4 8.586 8.606 -0.020 2
1 21 . 1 1 A 4 4 SER N N 4 119.430 117.653 1.777 2
1 35 . 1 1 A 6 6 GLY HA3 H 6 3.980 3.868 0.112 2
1 46 . 1 1 A 8 8 SER H H 8 8.363 8.081 0.282 2
1 52 . 1 1 A 8 8 SER N N 8 117.020 115.288 1.732 2
1 93 . 1 1 A 12 12 SER H H 12 8.052 8.362 -0.310 2
1 97 . 1 1 A 12 12 SER C C 12 178.790 176.498 2.292 2
1 100 . 1 1 A 12 12 SER N N 12 115.760 114.259 1.501 2
1 101 . 1 1 A 13 13 ILE H H 13 8.000 7.722 0.278 2
1 113 . 1 1 A 13 13 ILE CA C 13 64.920 64.414 0.506 2
1 118 . 1 1 A 13 13 ILE N N 13 123.290 118.794 4.496 2
1 152 . 1 1 A 17 17 ILE H H 17 8.490 9.146 -0.656 2
1 153 . 1 1 A 17 17 ILE HA H 17 3.760 3.550 0.210 2
1 163 . 1 1 A 17 17 ILE C C 17 178.300 178.098 0.202 2
1 164 . 1 1 A 17 17 ILE CA C 17 64.710 65.567 -0.857 2
1 165 . 1 1 A 17 17 ILE CB C 17 36.560 37.539 -0.979 2
1 169 . 1 1 A 17 17 ILE N N 17 118.260 118.932 -0.672 2
1 189 . 1 1 A 20 20 LEU HA H 20 4.090 4.073 0.017 2
1 263 . 1 1 A 27 27 ARG H H 27 8.840 8.612 0.228 2
1 276 . 1 1 A 27 27 ARG N N 27 129.620 128.201 1.419 2
1 356 . 1 1 A 36 36 CYS H H 36 7.500 8.977 -1.477 2
1 363 . 1 1 A 36 36 CYS N N 36 125.580 120.144 5.436 2
1 388 . 1 1 A 39 39 MET H H 39 8.270 8.316 -0.046 2
1 389 . 1 1 A 39 39 MET HA H 39 4.580 4.229 0.351 2
1 394 . 1 1 A 39 39 MET C C 39 179.710 178.873 0.837 2
1 395 . 1 1 A 39 39 MET CA C 39 56.330 58.691 -2.361 2
1 396 . 1 1 A 39 39 MET CB C 39 31.180 31.638 -0.458 2
1 398 . 1 1 A 39 39 MET N N 39 118.020 117.854 0.166 2
1 399 . 1 1 A 40 40 LYS H H 40 9.530 8.820 0.710 2
1 400 . 1 1 A 40 40 LYS HA H 40 3.860 4.025 -0.165 2
1 406 . 1 1 A 40 40 LYS C C 40 179.620 179.038 0.581 2
1 407 . 1 1 A 40 40 LYS CA C 40 61.360 59.961 1.399 2
1 408 . 1 1 A 40 40 LYS CB C 40 32.120 32.204 -0.084 2
1 412 . 1 1 A 40 40 LYS N N 40 122.280 119.321 2.959 2
1 413 . 1 1 A 41 41 ARG H H 41 7.560 7.661 -0.101 2
1 414 . 1 1 A 41 41 ARG HA H 41 4.200 4.134 0.066 2
1 421 . 1 1 A 41 41 ARG C C 41 179.650 178.888 0.762 2
1 422 . 1 1 A 41 41 ARG CA C 41 59.350 58.766 0.584 2
1 423 . 1 1 A 41 41 ARG CB C 41 29.300 29.886 -0.586 2
1 426 . 1 1 A 41 41 ARG N N 41 117.590 119.995 -2.405 2
1 427 . 1 1 A 42 42 VAL H H 42 7.570 7.538 0.032 2
1 428 . 1 1 A 42 42 VAL HA H 42 3.670 3.731 -0.061 2
1 436 . 1 1 A 42 42 VAL C C 42 177.480 178.576 -1.096 2
1 437 . 1 1 A 42 42 VAL CA C 42 66.420 66.221 0.199 2
1 438 . 1 1 A 42 42 VAL CB C 42 30.700 31.750 -1.050 2
1 441 . 1 1 A 42 42 VAL N N 42 121.450 119.588 1.862 2
1 442 . 1 1 A 43 43 VAL H H 43 8.450 8.805 -0.355 2
1 443 . 1 1 A 43 43 VAL HA H 43 3.540 3.655 -0.115 2
1 448 . 1 1 A 43 43 VAL C C 43 178.950 178.106 0.844 2
1 449 . 1 1 A 43 43 VAL CA C 43 66.940 66.585 0.355 2
1 450 . 1 1 A 43 43 VAL CB C 43 31.090 31.765 -0.675 2
1 452 . 1 1 A 43 43 VAL N N 43 120.380 120.803 -0.423 2
1 453 . 1 1 A 44 44 GLN H H 44 8.400 9.468 -1.068 2
1 454 . 1 1 A 44 44 GLN HA H 44 4.020 4.016 0.004 2
1 457 . 1 1 A 44 44 GLN C C 44 177.240 178.472 -1.232 2
1 458 . 1 1 A 44 44 GLN CA C 44 58.550 58.730 -0.179 2
1 459 . 1 1 A 44 44 GLN CB C 44 27.550 28.173 -0.623 2
1 461 . 1 1 A 44 44 GLN N N 44 119.280 117.840 1.440 2
1 462 . 1 1 A 45 45 HIS H H 45 8.070 8.004 0.066 2
1 463 . 1 1 A 45 45 HIS HA H 45 4.280 4.289 -0.009 2
1 465 . 1 1 A 45 45 HIS C C 45 177.800 177.092 0.708 2
1 466 . 1 1 A 45 45 HIS CA C 45 59.440 59.161 0.279 2
1 467 . 1 1 A 45 45 HIS CB C 45 26.760 29.881 -3.121 2
1 468 . 1 1 A 45 45 HIS N N 45 119.000 121.431 -2.431 2
1 469 . 1 1 A 46 46 THR H H 46 7.800 8.562 -0.762 2
1 470 . 1 1 A 46 46 THR HA H 46 3.870 3.523 0.347 2
1 475 . 1 1 A 46 46 THR C C 46 175.850 176.294 -0.444 2
1 476 . 1 1 A 46 46 THR CA C 46 65.410 66.874 -1.465 2
1 477 . 1 1 A 46 46 THR CB C 46 68.850 68.514 0.336 2
1 479 . 1 1 A 46 46 THR N N 46 110.300 115.236 -4.936 2
1 480 . 1 1 A 47 47 LYS H H 47 7.310 8.070 -0.760 2
1 481 . 1 1 A 47 47 LYS HA H 47 4.100 4.206 -0.106 2
1 488 . 1 1 A 47 47 LYS C C 47 177.640 179.890 -2.250 2
1 489 . 1 1 A 47 47 LYS CA C 47 58.310 59.278 -0.968 2
1 490 . 1 1 A 47 47 LYS CB C 47 31.420 32.142 -0.722 2
1 494 . 1 1 A 47 47 LYS N N 47 120.240 119.390 0.850 2
1 495 . 1 1 A 48 48 GLY H H 48 7.159 7.643 -0.484 2
1 496 . 1 1 A 48 48 GLY HA2 H 48 4.410 3.985 0.425 2
1 497 . 1 1 A 48 48 GLY HA3 H 48 3.680 4.011 -0.331 2
1 498 . 1 1 A 48 48 GLY C C 48 173.850 174.220 -0.370 2
1 499 . 1 1 A 48 48 GLY CA C 48 44.433 46.706 -2.273 2
1 500 . 1 1 A 48 48 GLY N N 48 103.360 106.897 -3.537 2
1 501 . 1 1 A 49 49 CYS H H 49 6.910 7.436 -0.526 2
1 502 . 1 1 A 49 49 CYS HA H 49 4.020 4.633 -0.613 2
1 505 . 1 1 A 49 49 CYS C C 49 176.710 174.560 2.150 2
1 506 . 1 1 A 49 49 CYS CA C 49 60.620 57.491 3.129 2
1 507 . 1 1 A 49 49 CYS CB C 49 29.260 29.339 -0.079 2
1 508 . 1 1 A 49 49 CYS N N 49 123.280 119.628 3.652 2
1 509 . 1 1 A 50 50 LYS H H 50 8.960 9.057 -0.097 2
1 510 . 1 1 A 50 50 LYS HA H 50 3.980 4.156 -0.176 2
1 519 . 1 1 A 50 50 LYS C C 50 177.580 178.790 -1.210 2
1 520 . 1 1 A 50 50 LYS CA C 50 56.280 58.661 -2.381 2
1 521 . 1 1 A 50 50 LYS CB C 50 32.150 32.605 -0.455 2
1 525 . 1 1 A 50 50 LYS N N 50 128.200 127.450 0.750 2
1 526 . 1 1 A 51 51 ARG H H 51 8.530 7.981 0.549 2
1 527 . 1 1 A 51 51 ARG HA H 51 4.460 4.048 0.412 2
1 533 . 1 1 A 51 51 ARG C C 51 176.700 178.630 -1.930 2
1 534 . 1 1 A 51 51 ARG CA C 51 57.203 59.250 -2.047 2
1 535 . 1 1 A 51 51 ARG CB C 51 30.969 29.922 1.047 2
1 538 . 1 1 A 51 51 ARG N N 51 122.350 120.851 1.499 2
1 539 . 1 1 A 52 52 LYS H H 52 8.420 7.614 0.806 2
1 540 . 1 1 A 52 52 LYS HA H 52 4.470 4.168 0.302 2
1 549 . 1 1 A 52 52 LYS C C 52 177.300 179.209 -1.909 2
1 550 . 1 1 A 52 52 LYS CA C 52 57.600 58.821 -1.220 2
1 551 . 1 1 A 52 52 LYS CB C 52 31.627 32.061 -0.434 2
1 555 . 1 1 A 52 52 LYS N N 52 118.820 119.288 -0.468 2
1 556 . 1 1 A 53 53 THR H H 53 7.760 7.757 0.003 2
1 557 . 1 1 A 53 53 THR HA H 53 4.230 4.070 0.160 2
1 562 . 1 1 A 53 53 THR C C 53 175.700 175.639 0.061 2
1 563 . 1 1 A 53 53 THR CA C 53 63.390 66.068 -2.678 2
1 564 . 1 1 A 53 53 THR CB C 53 68.220 68.564 -0.344 2
1 566 . 1 1 A 53 53 THR N N 53 112.860 117.490 -4.630 2
1 567 . 1 1 A 54 54 ASN H H 54 8.260 7.715 0.545 2
1 568 . 1 1 A 54 54 ASN HA H 54 4.110 4.754 -0.644 2
1 570 . 1 1 A 54 54 ASN C C 54 175.970 175.571 0.399 2
1 571 . 1 1 A 54 54 ASN CA C 54 53.300 53.127 0.173 2
1 572 . 1 1 A 54 54 ASN CB C 54 37.810 38.918 -1.108 2
1 573 . 1 1 A 54 54 ASN N N 54 119.690 116.570 3.119 2
1 574 . 1 1 A 55 55 GLY H H 55 7.960 8.366 -0.406 2
1 575 . 1 1 A 55 55 GLY HA2 H 55 4.010 3.939 0.071 2
1 576 . 1 1 A 55 55 GLY HA3 H 55 4.010 3.952 0.058 2
1 577 . 1 1 A 55 55 GLY C C 55 175.270 175.904 -0.634 2
1 578 . 1 1 A 55 55 GLY CA C 55 45.610 45.410 0.200 2
1 579 . 1 1 A 55 55 GLY N N 55 107.340 107.076 0.264 2
1 580 . 1 1 A 56 56 GLY H H 56 7.820 7.635 0.185 2
1 581 . 1 1 A 56 56 GLY HA2 H 56 3.970 3.890 0.080 2
1 582 . 1 1 A 56 56 GLY HA3 H 56 3.970 3.892 0.078 2
1 583 . 1 1 A 56 56 GLY C C 56 173.320 174.613 -1.293 2
1 584 . 1 1 A 56 56 GLY CA C 56 45.350 47.332 -1.982 2
1 585 . 1 1 A 56 56 GLY N N 56 107.080 107.561 -0.481 2
1 586 . 1 1 A 57 57 CYS H H 57 8.010 7.740 0.270 2
1 587 . 1 1 A 57 57 CYS HA H 57 4.870 4.689 0.182 2
1 590 . 1 1 A 57 57 CYS C C 57 175.610 174.614 0.996 2
1 591 . 1 1 A 57 57 CYS CA C 57 55.340 56.978 -1.638 2
1 592 . 1 1 A 57 57 CYS CB C 57 30.160 28.715 1.445 2
1 593 . 1 1 A 57 57 CYS N N 57 122.570 118.483 4.087 2
1 594 . 1 1 A 58 58 PRO HA H 58 4.320 4.288 0.032 2
1 601 . 1 1 A 58 58 PRO CA C 58 64.550 65.230 -0.680 2
1 602 . 1 1 A 58 58 PRO CB C 58 32.050 31.873 0.177 2
1 605 . 1 1 A 59 59 ILE H H 59 7.917 7.352 0.565 2
1 606 . 1 1 A 59 59 ILE HA H 59 3.550 3.853 -0.303 2
1 616 . 1 1 A 59 59 ILE C C 59 178.040 177.862 0.178 2
1 617 . 1 1 A 59 59 ILE CA C 59 64.540 64.410 0.130 2
1 618 . 1 1 A 59 59 ILE CB C 59 38.160 38.063 0.096 2
1 622 . 1 1 A 59 59 ILE N N 59 120.680 116.701 3.979 2
1 623 . 1 1 A 60 60 CYS H H 60 8.920 8.190 0.730 2
1 624 . 1 1 A 60 60 CYS HA H 60 4.105 4.044 0.061 2
1 627 . 1 1 A 60 60 CYS C C 60 177.540 177.062 0.478 2
1 628 . 1 1 A 60 60 CYS CA C 60 66.000 62.930 3.070 2
1 629 . 1 1 A 60 60 CYS CB C 60 28.750 27.343 1.407 2
1 630 . 1 1 A 60 60 CYS N N 60 123.890 119.501 4.389 2
1 631 . 1 1 A 61 61 LYS H H 61 8.100 8.746 -0.646 2
1 632 . 1 1 A 61 61 LYS HA H 61 3.920 3.886 0.034 2
1 639 . 1 1 A 61 61 LYS C C 61 179.030 178.544 0.486 2
1 640 . 1 1 A 61 61 LYS CA C 61 59.610 59.658 -0.048 2
1 641 . 1 1 A 61 61 LYS CB C 61 32.040 32.540 -0.500 2
1 645 . 1 1 A 61 61 LYS N N 61 117.130 121.241 -4.111 2
1 646 . 1 1 A 62 62 GLN H H 62 7.010 8.410 -1.400 2
1 647 . 1 1 A 62 62 GLN HA H 62 4.150 4.089 0.061 2
1 652 . 1 1 A 62 62 GLN C C 62 178.340 178.279 0.061 2
1 653 . 1 1 A 62 62 GLN CA C 62 58.520 58.593 -0.073 2
1 654 . 1 1 A 62 62 GLN CB C 62 27.587 28.288 -0.701 2
1 656 . 1 1 A 62 62 GLN N N 62 117.000 118.548 -1.548 2
1 657 . 1 1 A 63 63 LEU H H 63 7.980 7.990 -0.010 2
1 658 . 1 1 A 63 63 LEU HA H 63 4.160 4.003 0.157 2
1 667 . 1 1 A 63 63 LEU C C 63 179.060 178.111 0.949 2
1 668 . 1 1 A 63 63 LEU CA C 63 57.830 58.091 -0.261 2
1 669 . 1 1 A 63 63 LEU CB C 63 41.270 41.214 0.056 2
1 673 . 1 1 A 63 63 LEU N N 63 119.730 121.296 -1.566 2
1 674 . 1 1 A 64 64 ILE H H 64 8.481 8.613 -0.132 2
1 675 . 1 1 A 64 64 ILE HA H 64 3.650 3.326 0.324 2
1 685 . 1 1 A 64 64 ILE C C 64 179.930 177.990 1.940 2
1 686 . 1 1 A 64 64 ILE CA C 64 65.220 65.718 -0.498 2
1 687 . 1 1 A 64 64 ILE CB C 64 36.960 37.679 -0.719 2
1 691 . 1 1 A 64 64 ILE N N 64 120.350 119.623 0.727 2
1 692 . 1 1 A 65 65 ALA H H 65 7.300 7.711 -0.411 2
1 693 . 1 1 A 65 65 ALA HA H 65 4.200 4.002 0.198 2
1 697 . 1 1 A 65 65 ALA C C 65 180.010 180.031 -0.021 2
1 698 . 1 1 A 65 65 ALA CA C 65 54.940 55.505 -0.565 2
1 699 . 1 1 A 65 65 ALA CB C 65 18.010 18.539 -0.529 2
1 700 . 1 1 A 65 65 ALA N N 65 122.510 122.942 -0.432 2
1 701 . 1 1 A 66 66 LEU H H 66 8.120 8.550 -0.430 2
1 702 . 1 1 A 66 66 LEU HA H 66 4.100 4.303 -0.203 2
1 712 . 1 1 A 66 66 LEU C C 66 179.480 178.596 0.884 2
1 713 . 1 1 A 66 66 LEU CA C 66 57.540 57.920 -0.380 2
1 714 . 1 1 A 66 66 LEU CB C 66 41.940 41.347 0.593 2
1 718 . 1 1 A 66 66 LEU N N 66 115.490 120.137 -4.647 2
1 719 . 1 1 A 67 67 ALA H H 67 8.840 9.079 -0.239 2
1 720 . 1 1 A 67 67 ALA HA H 67 4.000 4.130 -0.130 2
1 724 . 1 1 A 67 67 ALA C C 67 179.000 179.633 -0.633 2
1 725 . 1 1 A 67 67 ALA CA C 67 55.490 55.260 0.230 2
1 726 . 1 1 A 67 67 ALA CB C 67 18.460 18.349 0.111 2
1 727 . 1 1 A 67 67 ALA N N 67 121.500 120.642 0.858 2
1 728 . 1 1 A 68 68 ALA H H 68 8.500 8.225 0.275 2
1 729 . 1 1 A 68 68 ALA HA H 68 4.160 3.979 0.181 2
1 733 . 1 1 A 68 68 ALA C C 68 179.070 179.543 -0.473 2
1 734 . 1 1 A 68 68 ALA CA C 68 55.290 55.026 0.264 2
1 735 . 1 1 A 68 68 ALA CB C 68 17.524 18.772 -1.248 2
1 736 . 1 1 A 68 68 ALA N N 68 120.100 119.962 0.138 2
1 737 . 1 1 A 69 69 TYR H H 69 7.850 7.920 -0.070 2
1 738 . 1 1 A 69 69 TYR HA H 69 4.310 4.353 -0.043 2
1 741 . 1 1 A 69 69 TYR CA C 69 56.141 60.913 -4.772 2
1 742 . 1 1 A 69 69 TYR CB C 69 37.943 38.169 -0.226 2
1 743 . 1 1 A 69 69 TYR N N 69 118.930 115.999 2.931 2
1 744 . 1 1 A 70 70 HIS H H 70 7.960 8.055 -0.095 2
1 745 . 1 1 A 70 70 HIS HA H 70 4.510 4.301 0.209 2
1 748 . 1 1 A 70 70 HIS CA C 70 54.640 60.551 -5.911 2
1 749 . 1 1 A 70 70 HIS CB C 70 27.560 29.768 -2.208 2
1 750 . 1 1 A 70 70 HIS N N 70 125.790 119.644 6.146 2
1 751 . 1 1 A 71 71 ALA H H 71 9.190 9.309 -0.119 2
1 752 . 1 1 A 71 71 ALA HA H 71 3.960 3.935 0.025 2
1 756 . 1 1 A 71 71 ALA C C 71 179.070 179.773 -0.703 2
1 757 . 1 1 A 71 71 ALA CA C 71 54.510 54.843 -0.333 2
1 758 . 1 1 A 71 71 ALA CB C 71 19.240 18.155 1.085 2
1 759 . 1 1 A 71 71 ALA N N 71 121.760 121.067 0.693 2
1 760 . 1 1 A 72 72 LYS H H 72 6.950 7.508 -0.558 2
1 761 . 1 1 A 72 72 LYS HA H 72 3.920 4.100 -0.180 2
1 770 . 1 1 A 72 72 LYS C C 72 176.750 179.080 -2.330 2
1 771 . 1 1 A 72 72 LYS CA C 72 57.690 58.972 -1.282 2
1 772 . 1 1 A 72 72 LYS CB C 72 31.720 32.769 -1.049 2
1 776 . 1 1 A 72 72 LYS N N 72 114.500 117.620 -3.120 2
1 777 . 1 1 A 73 73 HIS H H 73 7.140 8.374 -1.234 2
1 778 . 1 1 A 73 73 HIS HA H 73 4.830 4.199 0.631 2
1 781 . 1 1 A 73 73 HIS C C 73 173.590 175.975 -2.385 2
1 782 . 1 1 A 73 73 HIS CA C 73 54.070 59.881 -5.811 2
1 783 . 1 1 A 73 73 HIS CB C 73 29.640 29.896 -0.256 2
1 784 . 1 1 A 73 73 HIS N N 73 113.180 119.397 -6.217 2
1 785 . 1 1 A 74 74 CYS H H 74 7.020 8.083 -1.063 2
1 786 . 1 1 A 74 74 CYS HA H 74 4.140 4.258 -0.118 2
1 789 . 1 1 A 74 74 CYS C C 74 176.120 175.457 0.663 2
1 790 . 1 1 A 74 74 CYS CA C 74 59.829 58.598 1.231 2
1 791 . 1 1 A 74 74 CYS CB C 74 29.473 27.587 1.886 2
1 792 . 1 1 A 74 74 CYS N N 74 123.590 117.534 6.056 2
1 793 . 1 1 A 75 75 GLN H H 75 9.070 8.891 0.179 2
1 794 . 1 1 A 75 75 GLN HA H 75 4.705 4.357 0.348 2
1 798 . 1 1 A 75 75 GLN C C 75 175.620 175.257 0.363 2
1 799 . 1 1 A 75 75 GLN CA C 75 54.290 56.948 -2.658 2
1 800 . 1 1 A 75 75 GLN CB C 75 28.760 28.916 -0.156 2
1 802 . 1 1 A 75 75 GLN N N 75 128.650 127.617 1.033 2
1 803 . 1 1 A 76 76 GLU H H 76 8.260 7.604 0.656 2
1 804 . 1 1 A 76 76 GLU HA H 76 4.410 4.828 -0.418 2
1 809 . 1 1 A 76 76 GLU C C 76 176.700 175.320 1.380 2
1 810 . 1 1 A 76 76 GLU CA C 76 55.510 55.089 0.421 2
1 811 . 1 1 A 76 76 GLU CB C 76 29.860 32.830 -2.970 2
1 813 . 1 1 A 76 76 GLU N N 76 123.000 120.206 2.794 2
1 814 . 1 1 A 77 77 ASN H H 77 8.830 8.816 0.014 2
1 815 . 1 1 A 77 77 ASN HA H 77 4.530 4.733 -0.203 2
1 818 . 1 1 A 77 77 ASN C C 77 175.700 175.484 0.216 2
1 819 . 1 1 A 77 77 ASN CA C 77 55.030 52.175 2.855 2
1 820 . 1 1 A 77 77 ASN CB C 77 38.030 37.313 0.717 2
1 821 . 1 1 A 77 77 ASN N N 77 125.100 124.170 0.930 2
1 822 . 1 1 A 78 78 LYS H H 78 8.660 8.431 0.229 2
1 823 . 1 1 A 78 78 LYS HA H 78 4.440 3.965 0.476 2
1 832 . 1 1 A 78 78 LYS C C 78 174.930 176.216 -1.286 2
1 833 . 1 1 A 78 78 LYS CA C 78 54.120 59.153 -5.032 2
1 834 . 1 1 A 78 78 LYS CB C 78 30.120 32.550 -2.430 2
1 838 . 1 1 A 78 78 LYS N N 78 120.580 125.425 -4.845 2
1 839 . 1 1 A 79 79 CYS H H 79 7.320 7.781 -0.461 2
1 840 . 1 1 A 79 79 CYS HA H 79 4.160 4.501 -0.341 2
1 843 . 1 1 A 79 79 CYS C C 79 176.230 174.927 1.303 2
1 844 . 1 1 A 79 79 CYS CA C 79 60.480 60.155 0.325 2
1 845 . 1 1 A 79 79 CYS CB C 79 28.440 27.929 0.511 2
1 846 . 1 1 A 79 79 CYS N N 79 124.350 114.770 9.580 2
1 847 . 1 1 A 80 80 PRO HA H 80 4.730 4.324 0.406 2
1 854 . 1 1 A 80 80 PRO CA C 80 62.580 64.962 -2.381 2
1 855 . 1 1 A 80 80 PRO CB C 80 31.540 31.513 0.027 2
1 858 . 1 1 A 81 81 VAL H H 81 9.030 7.819 1.211 2
1 859 . 1 1 A 81 81 VAL HA H 81 3.570 4.104 -0.534 2
1 867 . 1 1 A 81 81 VAL CA C 81 62.220 60.819 1.401 2
1 868 . 1 1 A 81 81 VAL CB C 81 30.990 32.031 -1.041 2
1 871 . 1 1 A 81 81 VAL N N 81 127.570 118.962 8.608 2
1 872 . 1 1 A 82 82 PRO HA H 82 4.860 4.180 0.680 2
1 879 . 1 1 A 82 82 PRO CA C 82 62.860 65.506 -2.646 2
1 880 . 1 1 A 82 82 PRO CB C 82 31.550 31.234 0.316 2
1 883 . 1 1 A 83 83 PHE H H 83 6.940 6.617 0.323 2
1 884 . 1 1 A 83 83 PHE HA H 83 4.460 4.272 0.188 2
1 887 . 1 1 A 83 83 PHE C C 83 177.240 178.342 -1.102 2
1 888 . 1 1 A 83 83 PHE CA C 83 59.880 60.811 -0.931 2
1 889 . 1 1 A 83 83 PHE CB C 83 37.550 38.262 -0.712 2
1 890 . 1 1 A 83 83 PHE N N 83 123.530 117.139 6.391 2
1 891 . 1 1 A 84 84 CYS H H 84 7.020 8.290 -1.270 2
1 892 . 1 1 A 84 84 CYS HA H 84 4.100 4.226 -0.126 2
1 895 . 1 1 A 84 84 CYS CA C 84 66.560 62.403 4.157 2
1 896 . 1 1 A 84 84 CYS CB C 84 29.770 27.207 2.563 2
1 897 . 1 1 A 84 84 CYS N N 84 111.010 118.335 -7.325 2
1 898 . 1 1 A 85 85 LEU H H 85 8.190 7.893 0.297 2
1 899 . 1 1 A 85 85 LEU HA H 85 4.130 3.905 0.225 2
1 908 . 1 1 A 85 85 LEU C C 85 178.700 179.514 -0.814 2
1 909 . 1 1 A 85 85 LEU CA C 85 57.450 57.961 -0.511 2
1 910 . 1 1 A 85 85 LEU CB C 85 41.720 41.226 0.494 2
1 914 . 1 1 A 85 85 LEU N N 85 120.080 121.184 -1.104 2
1 915 . 1 1 A 86 86 ASN H H 86 7.740 8.012 -0.272 2
1 916 . 1 1 A 86 86 ASN HA H 86 4.530 4.560 -0.030 2
1 919 . 1 1 A 86 86 ASN C C 86 177.040 176.718 0.322 2
1 920 . 1 1 A 86 86 ASN CA C 86 55.510 56.380 -0.870 2
1 921 . 1 1 A 86 86 ASN CB C 86 38.650 38.249 0.401 2
1 922 . 1 1 A 86 86 ASN N N 86 115.410 118.494 -3.084 2
1 923 . 1 1 A 87 87 ILE H H 87 8.190 7.706 0.484 2
1 924 . 1 1 A 87 87 ILE HA H 87 3.960 3.962 -0.002 2
1 934 . 1 1 A 87 87 ILE C C 87 177.980 178.222 -0.242 2
1 935 . 1 1 A 87 87 ILE CA C 87 63.050 63.623 -0.573 2
1 936 . 1 1 A 87 87 ILE CB C 87 36.950 38.296 -1.346 2
1 940 . 1 1 A 87 87 ILE N N 87 120.100 118.868 1.232 2
1 941 . 1 1 A 88 88 LYS H H 88 8.300 9.195 -0.895 2
1 942 . 1 1 A 88 88 LYS HA H 88 4.160 3.986 0.174 2
1 949 . 1 1 A 88 88 LYS C C 88 179.730 178.995 0.735 2
1 950 . 1 1 A 88 88 LYS CA C 88 59.030 59.739 -0.709 2
1 951 . 1 1 A 88 88 LYS CB C 88 27.530 32.349 -4.819 2
1 953 . 1 1 A 88 88 LYS N N 88 118.760 119.937 -1.177 2
1 954 . 1 1 A 89 89 GLN H H 89 8.730 7.736 0.994 2
1 955 . 1 1 A 89 89 GLN HA H 89 4.440 4.144 0.296 2
1 958 . 1 1 A 89 89 GLN CA C 89 56.350 58.293 -1.943 2
1 959 . 1 1 A 89 89 GLN CB C 89 27.750 28.410 -0.660 2
1 961 . 1 1 A 89 89 GLN N N 89 122.660 119.433 3.227 2
1 978 . 2 2 B 2 2 GLU C C 2 176.270 175.783 0.487 2
1 979 . 2 2 B 2 2 GLU CA C 2 56.070 62.177 -6.107 2
1 980 . 2 2 B 2 2 GLU CB C 2 29.100 49.364 -20.264 2
1 981 . 2 2 B 3 3 GLU HA H 3 4.650 4.397 0.253 2
1 986 . 2 2 B 3 3 GLU C C 3 176.270 176.362 -0.092 2
1 987 . 2 2 B 3 3 GLU CA C 3 53.970 57.124 -3.154 2
1 988 . 2 2 B 3 3 GLU CB C 3 29.200 30.874 -1.674 2
1 990 . 2 2 B 4 4 PRO HA H 4 4.510 4.535 -0.025 2
1 997 . 2 2 B 4 4 PRO C C 4 181.100 175.524 5.576 2
1 998 . 2 2 B 4 4 PRO CA C 4 62.900 60.367 2.533 2
1 999 . 2 2 B 4 4 PRO CB C 4 31.402 48.670 -17.268 2
1 1002 . 2 2 B 5 5 GLN H H 5 8.530 7.917 0.613 2
1 1003 . 2 2 B 5 5 GLN HA H 5 4.430 4.222 0.208 2
1 1007 . 2 2 B 5 5 GLN C C 5 176.100 176.738 -0.638 2
1 1008 . 2 2 B 5 5 GLN CA C 5 53.450 61.101 -7.651 2
1 1009 . 2 2 B 5 5 GLN CB C 5 28.990 29.439 -0.449 2
1 1011 . 2 2 B 5 5 GLN N N 5 120.510 116.582 3.928 2
1 1012 . 2 2 B 6 6 SER H H 6 8.330 8.292 0.038 2
1 1013 . 2 2 B 6 6 SER HA H 6 4.500 4.337 0.163 2
1 1015 . 2 2 B 6 6 SER C C 6 173.920 174.957 -1.037 2
1 1016 . 2 2 B 6 6 SER CA C 6 57.860 52.925 4.935 2
1 1017 . 2 2 B 6 6 SER CB C 6 63.230 63.576 -0.346 2
1 1018 . 2 2 B 6 6 SER N N 6 117.080 111.023 6.057 2
1 1019 . 2 2 B 7 7 ASP H H 7 8.380 8.650 -0.270 2
1 1020 . 2 2 B 7 7 ASP HA H 7 4.960 4.507 0.453 2
1 1023 . 2 2 B 7 7 ASP C C 7 174.780 177.514 -2.734 2
1 1024 . 2 2 B 7 7 ASP CA C 7 51.960 56.825 -4.865 2
1 1025 . 2 2 B 7 7 ASP CB C 7 40.850 40.839 0.011 2
1 1026 . 2 2 B 7 7 ASP N N 7 123.030 124.193 -1.163 2
1 1027 . 2 2 B 8 8 PRO HA H 8 4.450 4.255 0.195 2
1 1034 . 2 2 B 8 8 PRO C C 8 177.080 177.643 -0.563 2
1 1035 . 2 2 B 8 8 PRO CA C 8 63.520 63.462 0.058 2
1 1036 . 2 2 B 8 8 PRO CB C 8 31.612 46.926 -15.314 2
1 1039 . 2 2 B 9 9 SER H H 9 8.520 8.258 0.262 2
1 1040 . 2 2 B 9 9 SER HA H 9 4.450 4.331 0.119 2
1 1042 . 2 2 B 9 9 SER C C 9 174.420 176.682 -2.262 2
1 1043 . 2 2 B 9 9 SER CA C 9 58.590 58.841 -0.251 2
1 1044 . 2 2 B 9 9 SER CB C 9 63.330 47.006 16.324 2
1 1045 . 2 2 B 9 9 SER N N 9 116.010 116.258 -0.248 2
1 1046 . 2 2 B 10 10 VAL H H 10 7.771 7.513 0.258 2
1 1047 . 2 2 B 10 10 VAL HA H 10 4.200 4.071 0.129 2
1 1055 . 2 2 B 10 10 VAL C C 10 174.430 176.707 -2.277 2
1 1056 . 2 2 B 10 10 VAL CA C 10 61.330 60.468 0.862 2
1 1057 . 2 2 B 10 10 VAL CB C 10 32.340 30.210 2.130 2
1 1060 . 2 2 B 10 10 VAL N N 10 121.350 120.702 0.648 2
1 1061 . 2 2 B 11 11 GLU H H 11 8.000 8.509 -0.509 2
1 1062 . 2 2 B 11 11 GLU HA H 11 4.660 4.490 0.170 2
1 1067 . 2 2 B 11 11 GLU C C 11 173.740 176.900 -3.160 2
1 1068 . 2 2 B 11 11 GLU CA C 11 53.130 55.034 -1.904 2
1 1069 . 2 2 B 11 11 GLU CB C 11 29.826 36.185 -6.359 2
1 1071 . 2 2 B 11 11 GLU N N 11 125.070 123.738 1.332 2
1 1072 . 2 2 B 12 12 PRO HA H 12 4.520 4.295 0.225 2
1 1079 . 2 2 B 12 12 PRO CA C 12 63.570 62.358 1.212 2
1 1080 . 2 2 B 12 12 PRO CB C 12 31.350 47.297 -15.947 2
1 1083 . 2 2 B 13 13 PRO HA H 13 4.510 4.163 0.347 2
1 1090 . 2 2 B 13 13 PRO C C 13 175.980 177.632 -1.652 2
1 1091 . 2 2 B 13 13 PRO CB C 13 31.720 34.754 -3.034 2
1 1094 . 2 2 B 14 14 LEU H H 14 7.900 8.492 -0.592 2
1 1095 . 2 2 B 14 14 LEU HA H 14 4.480 4.202 0.278 2
1 1101 . 2 2 B 14 14 LEU C C 14 177.260 177.859 -0.599 2
1 1102 . 2 2 B 14 14 LEU CA C 14 52.290 56.867 -4.577 2
1 1103 . 2 2 B 14 14 LEU CB C 14 41.270 35.289 5.981 2
1 1106 . 2 2 B 14 14 LEU N N 14 120.860 121.540 -0.680 2
1 1107 . 2 2 B 15 15 SER H H 15 8.620 8.042 0.578 2
1 1108 . 2 2 B 15 15 SER HA H 15 4.510 4.224 0.286 2
1 1111 . 2 2 B 15 15 SER C C 15 175.040 176.664 -1.624 2
1 1112 . 2 2 B 15 15 SER CA C 15 57.330 59.682 -2.352 2
1 1113 . 2 2 B 15 15 SER CB C 15 63.960 46.066 17.894 2
1 1114 . 2 2 B 15 15 SER N N 15 117.360 116.348 1.012 2
1 1115 . 2 2 B 16 16 GLN H H 16 8.700 7.881 0.819 2
1 1116 . 2 2 B 16 16 GLN HA H 16 4.400 4.458 -0.058 2
1 1120 . 2 2 B 16 16 GLN C C 16 176.280 178.227 -1.947 2
1 1121 . 2 2 B 16 16 GLN CA C 16 56.170 55.115 1.055 2
1 1122 . 2 2 B 16 16 GLN CB C 16 29.310 23.791 5.519 2
1 1124 . 2 2 B 16 16 GLN N N 16 122.480 120.053 2.427 2
1 1125 . 2 2 B 18 18 THR H H 18 7.860 8.663 -0.803 2
1 1126 . 2 2 B 18 18 THR HA H 18 4.080 3.969 0.111 2
1 1131 . 2 2 B 18 18 THR C C 18 175.900 177.193 -1.293 2
1 1132 . 2 2 B 18 18 THR CA C 18 66.280 62.718 3.562 2
1 1133 . 2 2 B 18 18 THR CB C 18 67.550 48.415 19.135 2
1 1135 . 2 2 B 18 18 THR N N 18 116.790 116.942 -0.152 2
1 1136 . 2 2 B 19 19 PHE H H 19 8.640 8.135 0.505 2
1 1137 . 2 2 B 19 19 PHE HA H 19 4.340 4.438 -0.098 2
1 1140 . 2 2 B 19 19 PHE C C 19 176.340 177.674 -1.334 2
1 1141 . 2 2 B 19 19 PHE CA C 19 59.680 61.298 -1.618 2
1 1142 . 2 2 B 19 19 PHE CB C 19 38.070 51.061 -12.991 2
1 1143 . 2 2 B 19 19 PHE N N 19 120.710 118.050 2.660 2
1 1144 . 2 2 B 20 20 SER H H 20 8.260 9.196 -0.936 2
1 1145 . 2 2 B 20 20 SER C C 20 176.100 177.648 -1.548 2
1 1146 . 2 2 B 20 20 SER CA C 20 61.280 59.890 1.390 2
1 1147 . 2 2 B 20 20 SER CB C 20 61.980 52.503 9.477 2
1 1148 . 2 2 B 20 20 SER N N 20 114.000 118.884 -4.884 2
1 1149 . 2 2 B 21 21 ASP H H 21 7.660 8.580 -0.920 2
1 1150 . 2 2 B 21 21 ASP HA H 21 4.520 3.927 0.593 2
1 1153 . 2 2 B 21 21 ASP C C 21 177.890 178.481 -0.591 2
1 1154 . 2 2 B 21 21 ASP CA C 21 56.070 61.852 -5.782 2
1 1155 . 2 2 B 21 21 ASP CB C 21 40.020 35.938 4.082 2
1 1156 . 2 2 B 21 21 ASP N N 21 120.570 120.061 0.509 2
1 1157 . 2 2 B 22 22 LEU H H 22 7.990 7.939 0.051 2
1 1158 . 2 2 B 22 22 LEU HA H 22 3.940 4.104 -0.164 2
1 1165 . 2 2 B 22 22 LEU C C 22 178.390 178.235 0.155 2
1 1166 . 2 2 B 22 22 LEU CA C 22 57.440 59.026 -1.586 2
1 1167 . 2 2 B 22 22 LEU CB C 22 41.270 35.829 5.441 2
1 1170 . 2 2 B 22 22 LEU N N 22 120.860 119.446 1.414 2
1 1171 . 2 2 B 23 23 TRP H H 23 8.920 8.738 0.182 2
1 1172 . 2 2 B 23 23 TRP HA H 23 4.200 4.286 -0.086 2
1 1175 . 2 2 B 23 23 TRP C C 23 178.090 178.060 0.030 2
1 1176 . 2 2 B 23 23 TRP CA C 23 59.310 56.572 2.738 2
1 1177 . 2 2 B 23 23 TRP CB C 23 28.550 23.568 4.982 2
1 1178 . 2 2 B 23 23 TRP N N 23 119.580 118.778 0.801 2
1 1179 . 2 2 B 24 24 LYS H H 24 7.380 7.457 -0.077 2
1 1180 . 2 2 B 24 24 LYS HA H 24 4.090 3.934 0.156 2
1 1189 . 2 2 B 24 24 LYS C C 24 177.360 177.725 -0.365 2
1 1190 . 2 2 B 24 24 LYS CA C 24 57.750 54.718 3.032 2
1 1191 . 2 2 B 24 24 LYS CB C 24 31.980 25.584 6.396 2
1 1195 . 2 2 B 24 24 LYS N N 24 116.010 118.692 -2.682 2
1 1196 . 2 2 B 25 25 LEU H H 25 7.700 7.616 0.084 2
1 1197 . 2 2 B 25 25 LEU HA H 25 4.330 4.417 -0.087 2
1 1207 . 2 2 B 25 25 LEU C C 25 177.290 176.278 1.012 2
1 1208 . 2 2 B 25 25 LEU CA C 25 54.920 55.146 -0.226 2
1 1209 . 2 2 B 25 25 LEU CB C 25 42.220 36.357 5.863 2
1 1213 . 2 2 B 25 25 LEU N N 25 118.160 115.805 2.355 2
1 1214 . 2 2 B 26 26 LEU H H 26 7.350 7.865 -0.515 2
1 1215 . 2 2 B 26 26 LEU HA H 26 4.540 4.489 0.051 2
1 1225 . 2 2 B 26 26 LEU C C 26 175.090 175.540 -0.450 2
1 1226 . 2 2 B 26 26 LEU CA C 26 53.130 55.393 -2.263 2
1 1227 . 2 2 B 26 26 LEU CB C 26 40.650 34.368 6.282 2
1 1231 . 2 2 B 26 26 LEU N N 26 120.260 119.485 0.775 2
1 1232 . 2 2 B 27 27 PRO HA H 27 4.550 4.365 0.185 2
1 1239 . 2 2 B 27 27 PRO C C 27 177.410 176.478 0.932 2
1 1240 . 2 2 B 27 27 PRO CA C 27 62.420 59.949 2.471 2
1 1241 . 2 2 B 27 27 PRO CB C 27 31.080 30.172 0.908 2
1 1244 . 2 2 B 28 28 GLU H H 28 8.670 7.828 0.842 2
1 1245 . 2 2 B 28 28 GLU HA H 28 4.210 4.493 -0.283 2
1 1250 . 2 2 B 28 28 GLU C C 28 176.540 175.284 1.256 2
1 1251 . 2 2 B 28 28 GLU CA C 28 57.020 56.089 0.931 2
1 1252 . 2 2 B 28 28 GLU CB C 28 28.980 35.579 -6.599 2
1 1254 . 2 2 B 28 28 GLU N N 28 119.490 119.420 0.070 2
1 1255 . 2 2 B 29 29 ASN H H 29 8.220 8.200 0.020 2
1 1256 . 2 2 B 29 29 ASN HA H 29 4.720 4.357 0.363 2
1 1259 . 2 2 B 29 29 ASN C C 29 174.980 176.007 -1.027 2
1 1260 . 2 2 B 29 29 ASN CA C 29 53.130 54.180 -1.050 2
1 1261 . 2 2 B 29 29 ASN CB C 29 38.350 27.747 10.603 2
1 1262 . 2 2 B 29 29 ASN N N 29 118.090 121.648 -3.558 2
1 1263 . 2 2 B 30 30 ASN H H 30 8.260 8.326 -0.066 2
1 1264 . 2 2 B 30 30 ASN HA H 30 4.740 4.821 -0.081 2
1 1267 . 2 2 B 30 30 ASN C C 30 175.120 174.970 0.150 2
1 1268 . 2 2 B 30 30 ASN CA C 30 53.230 53.578 -0.348 2
1 1269 . 2 2 B 30 30 ASN CB C 30 38.550 39.005 -0.455 2
1 1270 . 2 2 B 30 30 ASN N N 30 118.720 119.349 -0.629 2
1 1271 . 2 2 B 31 31 VAL H H 31 8.010 8.171 -0.161 2
1 1272 . 2 2 B 31 31 VAL HA H 31 4.150 4.351 -0.201 2
1 1277 . 2 2 B 31 31 VAL C C 31 175.990 175.984 0.006 2
1 1278 . 2 2 B 31 31 VAL CA C 31 62.270 60.995 1.275 2
1 1279 . 2 2 B 31 31 VAL CB C 31 31.820 30.777 1.043 2
1 1281 . 2 2 B 31 31 VAL N N 31 118.920 122.106 -3.186 2
1 1282 . 2 2 B 32 32 LEU H H 32 8.190 8.644 -0.454 2
1 1283 . 2 2 B 32 32 LEU HA H 32 4.420 4.479 -0.059 2
1 1292 . 2 2 B 32 32 LEU C C 32 176.960 175.412 1.548 2
1 1293 . 2 2 B 32 32 LEU CA C 32 54.490 56.802 -2.312 2
1 1294 . 2 2 B 32 32 LEU CB C 32 41.800 52.867 -11.067 2
1 1298 . 2 2 B 32 32 LEU N N 32 123.760 124.117 -0.357 2
1 1299 . 2 2 B 33 33 SER H H 33 7.920 7.530 0.390 2
1 1300 . 2 2 B 33 33 SER HA H 33 4.790 4.502 0.288 2
1 1303 . 2 2 B 33 33 SER C C 33 172.710 174.650 -1.940 2
1 1304 . 2 2 B 33 33 SER CA C 33 55.970 54.187 1.783 2
1 1305 . 2 2 B 33 33 SER CB C 33 63.020 52.635 10.385 2
1 1306 . 2 2 B 33 33 SER N N 33 117.150 120.587 -3.437 2
1 1307 . 2 2 B 34 34 PRO HA H 34 4.510 4.467 0.043 2
1 1314 . 2 2 B 34 34 PRO C C 34 176.750 177.022 -0.272 2
1 1315 . 2 2 B 34 34 PRO CA C 34 62.690 63.976 -1.286 2
1 1316 . 2 2 B 34 34 PRO CB C 34 31.420 32.157 -0.737 2
1 1319 . 2 2 B 35 35 LEU H H 35 8.200 8.429 -0.229 2
1 1320 . 2 2 B 35 35 LEU HA H 35 4.620 4.553 0.067 2
1 1326 . 2 2 B 35 35 LEU C C 35 175.560 175.725 -0.165 2
1 1327 . 2 2 B 35 35 LEU CA C 35 52.710 56.639 -3.929 2
1 1328 . 2 2 B 35 35 LEU CB C 35 41.280 52.474 -11.194 2
1 1331 . 2 2 B 35 35 LEU N N 35 123.000 118.104 4.896 2
1 1332 . 2 2 B 36 36 PRO HA H 36 4.850 4.330 0.520 2
1 1339 . 2 2 B 36 36 PRO C C 36 176.970 177.287 -0.317 2
1 1340 . 2 2 B 36 36 PRO CA C 36 62.690 63.217 -0.527 2
1 1341 . 2 2 B 36 36 PRO CB C 36 31.420 29.941 1.479 2
1 1344 . 2 2 B 37 37 SER H H 37 8.280 8.240 0.040 2
1 1345 . 2 2 B 37 37 SER HA H 37 4.520 4.076 0.444 2
1 1347 . 2 2 B 37 37 SER C C 37 174.580 176.219 -1.639 2
1 1348 . 2 2 B 37 37 SER CA C 37 55.870 59.679 -3.809 2
1 1349 . 2 2 B 37 37 SER CB C 37 63.360 45.700 17.660 2
1 1350 . 2 2 B 37 37 SER N N 37 115.170 119.277 -4.107 2
1 1351 . 2 2 B 38 38 GLN H H 38 8.310 7.910 0.400 2
1 1352 . 2 2 B 38 38 GLN HA H 38 4.410 4.376 0.034 2
1 1356 . 2 2 B 38 38 GLN C C 38 174.650 177.479 -2.829 2
1 1357 . 2 2 B 38 38 GLN CA C 38 55.550 57.355 -1.805 2
1 1358 . 2 2 B 38 38 GLN CB C 38 29.190 31.105 -1.915 2
1 1360 . 2 2 B 38 38 GLN N N 38 122.270 121.283 0.987 2
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