data_15763_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15763
_Entry.PDB_ID 2K3J
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 7 . 1 1 1 A 46 46 LEU HA H 46 3.970 4.286 -0.316 1
1 17 . 1 1 1 A 46 46 LEU CA C 46 55.000 55.084 -0.084 1
1 18 . 1 1 1 A 46 46 LEU CB C 46 40.300 41.508 -1.208 1
1 22 . 1 1 1 A 47 47 ILE H H 47 7.570 7.508 0.062 1
1 23 . 1 1 1 A 47 47 ILE HA H 47 4.270 4.323 -0.053 1
1 33 . 1 1 1 A 47 47 ILE C C 47 174.500 175.700 -1.200 1
1 34 . 1 1 1 A 47 47 ILE CA C 47 54.600 59.703 -5.103 1
1 35 . 1 1 1 A 47 47 ILE CB C 47 34.500 39.410 -4.910 1
1 39 . 1 1 1 A 47 47 ILE N N 47 115.000 121.863 -6.863 1
1 40 . 1 1 1 A 48 48 LEU H H 48 8.760 8.848 -0.088 1
1 41 . 1 1 1 A 48 48 LEU HA H 48 4.260 4.360 -0.100 1
1 51 . 1 1 1 A 48 48 LEU C C 48 174.400 176.927 -2.527 1
1 52 . 1 1 1 A 48 48 LEU CA C 48 51.200 53.340 -2.140 1
1 53 . 1 1 1 A 48 48 LEU CB C 48 37.800 41.166 -3.366 1
1 57 . 1 1 1 A 48 48 LEU N N 48 127.400 127.093 0.307 1
1 58 . 1 1 1 A 49 49 PRO HA H 49 4.170 4.484 -0.314 1
1 63 . 1 1 1 A 49 49 PRO CA C 49 62.500 64.424 -1.924 1
1 64 . 1 1 1 A 49 49 PRO CB C 49 28.900 31.768 -2.868 1
1 67 . 1 1 1 A 50 50 ASN H H 50 7.180 7.824 -0.644 1
1 68 . 1 1 1 A 50 50 ASN HA H 50 4.420 4.656 -0.236 1
1 73 . 1 1 1 A 50 50 ASN C C 50 173.700 176.578 -2.878 1
1 74 . 1 1 1 A 50 50 ASN CA C 50 49.500 52.115 -2.615 1
1 75 . 1 1 1 A 50 50 ASN CB C 50 34.400 37.689 -3.289 1
1 76 . 1 1 1 A 50 50 ASN N N 50 111.000 113.005 -2.005 1
1 78 . 1 1 1 A 51 51 GLY H H 51 8.370 8.210 0.160 1
1 79 . 1 1 1 A 51 51 GLY HA2 H 51 4.220 3.831 0.389 1
1 80 . 1 1 1 A 51 51 GLY HA3 H 51 3.400 3.893 -0.493 1
1 81 . 1 1 1 A 51 51 GLY C C 51 171.500 173.845 -2.345 1
1 82 . 1 1 1 A 51 51 GLY CA C 51 42.200 45.318 -3.118 1
1 83 . 1 1 1 A 51 51 GLY N N 51 108.400 109.582 -1.182 1
1 84 . 1 1 1 A 52 52 ASN H H 52 7.810 8.147 -0.337 1
1 85 . 1 1 1 A 52 52 ASN HA H 52 4.670 5.215 -0.545 1
1 90 . 1 1 1 A 52 52 ASN C C 52 170.900 174.831 -3.931 1
1 91 . 1 1 1 A 52 52 ASN CA C 52 49.400 52.154 -2.754 1
1 92 . 1 1 1 A 52 52 ASN CB C 52 36.100 40.499 -4.399 1
1 93 . 1 1 1 A 52 52 ASN N N 52 119.100 119.765 -0.665 1
1 95 . 1 1 1 A 53 53 ILE H H 53 8.070 8.342 -0.272 1
1 96 . 1 1 1 A 53 53 ILE HA H 53 3.470 4.248 -0.778 1
1 106 . 1 1 1 A 53 53 ILE C C 53 172.300 174.685 -2.385 1
1 107 . 1 1 1 A 53 53 ILE CA C 53 59.100 59.723 -0.623 1
1 108 . 1 1 1 A 53 53 ILE CB C 53 36.000 38.704 -2.704 1
1 112 . 1 1 1 A 53 53 ILE N N 53 120.100 122.044 -1.944 1
1 113 . 1 1 1 A 54 54 ASN H H 54 8.700 8.314 0.386 1
1 114 . 1 1 1 A 54 54 ASN HA H 54 4.350 4.611 -0.261 1
1 119 . 1 1 1 A 54 54 ASN C C 54 172.300 174.833 -2.533 1
1 120 . 1 1 1 A 54 54 ASN CA C 54 47.500 51.694 -4.194 1
1 121 . 1 1 1 A 54 54 ASN CB C 54 34.200 36.807 -2.607 1
1 122 . 1 1 1 A 54 54 ASN N N 54 123.200 124.508 -1.308 1
1 124 . 1 1 1 A 55 55 TRP H H 55 7.520 7.920 -0.400 1
1 125 . 1 1 1 A 55 55 TRP HA H 55 4.300 4.783 -0.483 1
1 134 . 1 1 1 A 55 55 TRP C C 55 172.100 176.376 -4.276 1
1 135 . 1 1 1 A 55 55 TRP CA C 55 55.200 55.843 -0.643 1
1 136 . 1 1 1 A 55 55 TRP CB C 55 26.400 26.951 -0.551 1
1 137 . 1 1 1 A 55 55 TRP N N 55 124.600 124.725 -0.125 1
1 138 . 1 1 1 A 56 56 ASN H H 56 7.380 8.780 -1.400 1
1 139 . 1 1 1 A 56 56 ASN HA H 56 4.720 5.044 -0.324 1
1 144 . 1 1 1 A 56 56 ASN C C 56 172.100 175.011 -2.911 1
1 145 . 1 1 1 A 56 56 ASN CA C 56 49.500 53.855 -4.355 1
1 146 . 1 1 1 A 56 56 ASN CB C 56 36.200 41.645 -5.445 1
1 147 . 1 1 1 A 56 56 ASN N N 56 112.500 119.028 -6.528 1
1 149 . 1 1 1 A 57 57 CYS H H 57 7.460 7.356 0.104 1
1 150 . 1 1 1 A 57 57 CYS HA H 57 4.280 4.457 -0.177 1
1 153 . 1 1 1 A 57 57 CYS C C 57 173.000 175.037 -2.037 1
1 154 . 1 1 1 A 57 57 CYS CA C 57 54.900 58.583 -3.683 1
1 155 . 1 1 1 A 57 57 CYS CB C 57 25.000 27.121 -2.121 1
1 156 . 1 1 1 A 57 57 CYS N N 57 123.000 118.975 4.025 1
1 157 . 1 1 1 A 58 58 PRO HA H 58 4.200 4.349 -0.149 1
1 162 . 1 1 1 A 58 58 PRO CA C 58 62.700 65.976 -3.276 1
1 163 . 1 1 1 A 58 58 PRO CB C 58 29.300 31.488 -2.188 1
1 166 . 1 1 1 A 59 59 CYS HA H 59 4.390 4.163 0.227 1
1 168 . 1 1 1 A 59 59 CYS CA C 59 57.000 62.671 -5.671 1
1 169 . 1 1 1 A 59 59 CYS CB C 59 24.400 27.450 -3.050 1
1 170 . 1 1 1 A 60 60 LEU H H 60 7.500 8.035 -0.535 1
1 171 . 1 1 1 A 60 60 LEU HA H 60 4.180 4.165 0.015 1
1 181 . 1 1 1 A 60 60 LEU C C 60 175.700 179.157 -3.457 1
1 182 . 1 1 1 A 60 60 LEU CA C 60 52.000 57.852 -5.852 1
1 183 . 1 1 1 A 60 60 LEU CB C 60 39.000 41.856 -2.856 1
1 187 . 1 1 1 A 60 60 LEU N N 60 117.700 121.538 -3.838 1
1 188 . 1 1 1 A 61 61 GLY H H 61 7.880 8.438 -0.558 1
1 189 . 1 1 1 A 61 61 GLY HA2 H 61 3.830 3.776 0.054 1
1 190 . 1 1 1 A 61 61 GLY HA3 H 61 3.680 3.888 -0.208 1
1 191 . 1 1 1 A 61 61 GLY C C 61 172.700 176.216 -3.516 1
1 192 . 1 1 1 A 61 61 GLY CA C 61 44.700 47.562 -2.862 1
1 193 . 1 1 1 A 61 61 GLY N N 61 105.700 106.683 -0.983 1
1 194 . 1 1 1 A 62 62 GLY H H 62 8.580 8.542 0.038 1
1 195 . 1 1 1 A 62 62 GLY HA2 H 62 3.810 3.786 0.024 1
1 196 . 1 1 1 A 62 62 GLY HA3 H 62 3.680 3.794 -0.114 1
1 197 . 1 1 1 A 62 62 GLY C C 62 174.000 175.902 -1.902 1
1 198 . 1 1 1 A 62 62 GLY CA C 62 42.800 47.008 -4.208 1
1 199 . 1 1 1 A 62 62 GLY N N 62 108.500 109.987 -1.487 1
1 200 . 1 1 1 A 63 63 MET H H 63 7.460 7.782 -0.322 1
1 201 . 1 1 1 A 63 63 MET HA H 63 3.870 3.857 0.013 1
1 206 . 1 1 1 A 63 63 MET C C 63 174.600 176.574 -1.974 1
1 207 . 1 1 1 A 63 63 MET CA C 63 54.400 57.106 -2.706 1
1 208 . 1 1 1 A 63 63 MET CB C 63 27.600 30.785 -3.185 1
1 210 . 1 1 1 A 63 63 MET N N 63 118.500 119.465 -0.965 1
1 211 . 1 1 1 A 64 64 ALA H H 64 8.080 6.959 1.121 1
1 212 . 1 1 1 A 64 64 ALA HA H 64 4.220 4.156 0.064 1
1 216 . 1 1 1 A 64 64 ALA C C 64 173.800 176.724 -2.924 1
1 217 . 1 1 1 A 64 64 ALA CA C 64 50.400 52.394 -1.994 1
1 218 . 1 1 1 A 64 64 ALA CB C 64 16.500 18.985 -2.485 1
1 219 . 1 1 1 A 64 64 ALA N N 64 117.500 120.382 -2.882 1
1 220 . 1 1 1 A 65 65 SER H H 65 7.460 7.285 0.175 1
1 221 . 1 1 1 A 65 65 SER HA H 65 4.570 4.669 -0.099 1
1 224 . 1 1 1 A 65 65 SER C C 65 171.500 173.187 -1.687 1
1 225 . 1 1 1 A 65 65 SER CA C 65 54.800 56.878 -2.078 1
1 226 . 1 1 1 A 65 65 SER CB C 65 61.800 64.402 -2.602 1
1 227 . 1 1 1 A 65 65 SER N N 65 111.200 114.054 -2.854 1
1 228 . 1 1 1 A 66 66 GLY H H 66 7.480 8.233 -0.753 1
1 229 . 1 1 1 A 66 66 GLY HA2 H 66 3.980 3.843 0.137 1
1 230 . 1 1 1 A 66 66 GLY HA3 H 66 4.030 4.051 -0.021 1
1 231 . 1 1 1 A 66 66 GLY C C 66 170.600 174.017 -3.417 1
1 232 . 1 1 1 A 66 66 GLY CA C 66 42.000 44.392 -2.392 1
1 233 . 1 1 1 A 66 66 GLY N N 66 108.800 113.784 -4.984 1
1 234 . 1 1 1 A 67 67 PRO HA H 67 4.210 4.264 -0.054 1
1 241 . 1 1 1 A 67 67 PRO CA C 67 62.000 65.378 -3.378 1
1 242 . 1 1 1 A 67 67 PRO CB C 67 28.900 31.728 -2.828 1
1 245 . 1 1 1 A 68 68 CYS H H 68 7.700 8.071 -0.371 1
1 246 . 1 1 1 A 68 68 CYS HA H 68 5.450 4.364 1.086 1
1 249 . 1 1 1 A 68 68 CYS C C 68 173.500 176.503 -3.003 1
1 250 . 1 1 1 A 68 68 CYS CA C 68 49.500 59.172 -9.672 1
1 251 . 1 1 1 A 68 68 CYS CB C 68 36.200 41.729 -5.529 1
1 252 . 1 1 1 A 68 68 CYS N N 68 115.300 114.254 1.046 1
1 253 . 1 1 1 A 69 69 GLY H H 69 7.840 8.350 -0.510 1
1 254 . 1 1 1 A 69 69 GLY HA2 H 69 3.950 3.724 0.226 1
1 255 . 1 1 1 A 69 69 GLY HA3 H 69 3.550 3.783 -0.233 1
1 256 . 1 1 1 A 69 69 GLY C C 69 173.300 176.083 -2.783 1
1 257 . 1 1 1 A 69 69 GLY CA C 69 45.200 46.981 -1.781 1
1 258 . 1 1 1 A 69 69 GLY N N 69 110.200 109.282 0.918 1
1 259 . 1 1 1 A 70 70 GLU H H 70 8.650 8.632 0.018 1
1 260 . 1 1 1 A 70 70 GLU HA H 70 3.760 3.938 -0.178 1
1 265 . 1 1 1 A 70 70 GLU C C 70 176.800 178.501 -1.701 1
1 266 . 1 1 1 A 70 70 GLU CA C 70 56.300 59.016 -2.716 1
1 267 . 1 1 1 A 70 70 GLU CB C 70 26.000 29.009 -3.009 1
1 269 . 1 1 1 A 70 70 GLU N N 70 120.000 120.520 -0.520 1
1 270 . 1 1 1 A 71 71 GLN H H 71 8.860 7.748 1.112 1
1 271 . 1 1 1 A 71 71 GLN HA H 71 3.850 4.009 -0.159 1
1 278 . 1 1 1 A 71 71 GLN C C 71 177.400 178.537 -1.137 1
1 279 . 1 1 1 A 71 71 GLN CA C 71 57.200 58.535 -1.335 1
1 280 . 1 1 1 A 71 71 GLN CB C 71 24.400 28.391 -3.991 1
1 282 . 1 1 1 A 71 71 GLN N N 71 120.800 119.119 1.681 1
1 284 . 1 1 1 A 72 72 PHE H H 72 8.890 8.132 0.758 1
1 285 . 1 1 1 A 72 72 PHE HA H 72 4.200 4.189 0.011 1
1 291 . 1 1 1 A 72 72 PHE C C 72 173.500 177.649 -4.149 1
1 292 . 1 1 1 A 72 72 PHE CA C 72 59.000 61.475 -2.475 1
1 293 . 1 1 1 A 72 72 PHE CB C 72 36.000 39.128 -3.128 1
1 294 . 1 1 1 A 72 72 PHE N N 72 123.400 120.876 2.524 1
1 295 . 1 1 1 A 73 73 LYS H H 73 8.480 8.320 0.160 1
1 296 . 1 1 1 A 73 73 LYS HA H 73 3.430 3.763 -0.333 1
1 304 . 1 1 1 A 73 73 LYS C C 73 177.600 179.302 -1.702 1
1 305 . 1 1 1 A 73 73 LYS CA C 73 56.700 59.450 -2.750 1
1 306 . 1 1 1 A 73 73 LYS CB C 73 29.600 31.960 -2.360 1
1 310 . 1 1 1 A 73 73 LYS N N 73 119.900 118.075 1.825 1
1 311 . 1 1 1 A 74 74 SER H H 74 7.780 7.798 -0.018 1
1 312 . 1 1 1 A 74 74 SER HA H 74 4.120 4.172 -0.052 1
1 315 . 1 1 1 A 74 74 SER C C 74 174.300 177.162 -2.862 1
1 316 . 1 1 1 A 74 74 SER CA C 74 58.700 61.589 -2.889 1
1 317 . 1 1 1 A 74 74 SER CB C 74 59.900 62.787 -2.887 1
1 318 . 1 1 1 A 74 74 SER N N 74 114.200 114.585 -0.385 1
1 319 . 1 1 1 A 75 75 ALA H H 75 7.870 7.835 0.035 1
1 320 . 1 1 1 A 75 75 ALA HA H 75 3.840 3.906 -0.066 1
1 324 . 1 1 1 A 75 75 ALA C C 75 175.100 179.917 -4.817 1
1 325 . 1 1 1 A 75 75 ALA CA C 75 53.200 54.524 -1.324 1
1 326 . 1 1 1 A 75 75 ALA CB C 75 15.500 17.585 -2.085 1
1 327 . 1 1 1 A 75 75 ALA N N 75 123.100 123.262 -0.162 1
1 328 . 1 1 1 A 76 76 PHE H H 76 9.450 7.965 1.485 1
1 329 . 1 1 1 A 76 76 PHE HA H 76 3.700 4.294 -0.594 1
1 334 . 1 1 1 A 76 76 PHE C C 76 174.600 178.695 -4.095 1
1 335 . 1 1 1 A 76 76 PHE CA C 76 59.600 61.224 -1.624 1
1 336 . 1 1 1 A 76 76 PHE CB C 76 35.800 38.543 -2.743 1
1 337 . 1 1 1 A 76 76 PHE N N 76 118.800 117.369 1.431 1
1 338 . 1 1 1 A 77 77 SER H H 77 8.550 8.828 -0.278 1
1 339 . 1 1 1 A 77 77 SER HA H 77 4.130 4.318 -0.188 1
1 341 . 1 1 1 A 77 77 SER C C 77 172.200 176.777 -4.577 1
1 342 . 1 1 1 A 77 77 SER CA C 77 60.100 61.782 -1.682 1
1 343 . 1 1 1 A 77 77 SER CB C 77 59.800 62.061 -2.261 1
1 344 . 1 1 1 A 77 77 SER N N 77 113.200 114.567 -1.367 1
1 345 . 1 1 1 A 78 78 CYS H H 78 7.430 8.120 -0.690 1
1 346 . 1 1 1 A 78 78 CYS HA H 78 4.080 4.024 0.056 1
1 349 . 1 1 1 A 78 78 CYS C C 78 174.000 176.132 -2.132 1
1 350 . 1 1 1 A 78 78 CYS CA C 78 57.900 60.436 -2.536 1
1 351 . 1 1 1 A 78 78 CYS CB C 78 36.400 40.225 -3.825 1
1 352 . 1 1 1 A 78 78 CYS N N 78 118.900 119.932 -1.032 1
1 353 . 1 1 1 A 79 79 PHE H H 79 8.270 8.460 -0.190 1
1 354 . 1 1 1 A 79 79 PHE HA H 79 3.740 4.303 -0.563 1
1 359 . 1 1 1 A 79 79 PHE C C 79 173.600 177.759 -4.159 1
1 360 . 1 1 1 A 79 79 PHE CA C 79 59.200 61.743 -2.543 1
1 361 . 1 1 1 A 79 79 PHE CB C 79 37.000 39.254 -2.254 1
1 362 . 1 1 1 A 79 79 PHE N N 79 120.400 121.528 -1.128 1
1 363 . 1 1 1 A 80 80 HIS H H 80 8.840 8.574 0.266 1
1 364 . 1 1 1 A 80 80 HIS HA H 80 3.460 4.021 -0.561 1
1 368 . 1 1 1 A 80 80 HIS C C 80 175.700 177.002 -1.302 1
1 369 . 1 1 1 A 80 80 HIS CA C 80 57.000 59.452 -2.452 1
1 370 . 1 1 1 A 80 80 HIS CB C 80 28.300 29.952 -1.652 1
1 371 . 1 1 1 A 80 80 HIS N N 80 118.400 118.594 -0.194 1
1 372 . 1 1 1 A 81 81 TYR H H 81 7.710 8.292 -0.582 1
1 373 . 1 1 1 A 81 81 TYR HA H 81 4.080 4.038 0.042 1
1 378 . 1 1 1 A 81 81 TYR C C 81 172.400 177.268 -4.868 1
1 379 . 1 1 1 A 81 81 TYR CA C 81 56.100 61.415 -5.315 1
1 380 . 1 1 1 A 81 81 TYR CB C 81 34.800 37.543 -2.743 1
1 381 . 1 1 1 A 81 81 TYR N N 81 113.400 115.690 -2.290 1
1 382 . 1 1 1 A 82 82 SER H H 82 7.070 7.507 -0.437 1
1 383 . 1 1 1 A 82 82 SER HA H 82 4.410 4.461 -0.051 1
1 386 . 1 1 1 A 82 82 SER C C 82 174.500 174.447 0.053 1
1 387 . 1 1 1 A 82 82 SER CA C 82 56.300 60.442 -4.142 1
1 388 . 1 1 1 A 82 82 SER CB C 82 59.200 63.781 -4.581 1
1 389 . 1 1 1 A 82 82 SER N N 82 115.600 115.926 -0.326 1
1 390 . 1 1 1 A 83 83 THR H H 83 9.290 7.634 1.656 1
1 391 . 1 1 1 A 83 83 THR HA H 83 4.400 3.899 0.501 1
1 396 . 1 1 1 A 83 83 THR C C 83 172.200 174.389 -2.189 1
1 397 . 1 1 1 A 83 83 THR CA C 83 57.500 63.453 -5.953 1
1 398 . 1 1 1 A 83 83 THR CB C 83 65.800 66.737 -0.937 1
1 400 . 1 1 1 A 83 83 THR N N 83 120.400 114.779 5.621 1
1 401 . 1 1 1 A 84 84 GLU H H 84 7.170 8.243 -1.073 1
1 402 . 1 1 1 A 84 84 GLU HA H 84 3.860 4.166 -0.306 1
1 406 . 1 1 1 A 84 84 GLU C C 84 173.300 176.283 -2.983 1
1 407 . 1 1 1 A 84 84 GLU CA C 84 53.100 59.265 -6.165 1
1 408 . 1 1 1 A 84 84 GLU CB C 84 28.400 29.970 -1.570 1
1 410 . 1 1 1 A 84 84 GLU N N 84 121.600 122.502 -0.902 1
1 411 . 1 1 1 A 85 85 GLU H H 85 8.390 7.847 0.543 1
1 412 . 1 1 1 A 85 85 GLU HA H 85 3.730 4.567 -0.837 1
1 417 . 1 1 1 A 85 85 GLU C C 85 175.500 176.224 -0.724 1
1 418 . 1 1 1 A 85 85 GLU CA C 85 56.700 57.847 -1.147 1
1 419 . 1 1 1 A 85 85 GLU CB C 85 26.900 31.544 -4.644 1
1 421 . 1 1 1 A 85 85 GLU N N 85 121.800 115.224 6.576 1
1 422 . 1 1 1 A 86 86 ILE H H 86 8.060 8.335 -0.275 1
1 423 . 1 1 1 A 86 86 ILE HA H 86 4.060 4.038 0.022 1
1 433 . 1 1 1 A 86 86 ILE C C 86 172.400 175.863 -3.463 1
1 434 . 1 1 1 A 86 86 ILE CA C 86 56.800 61.439 -4.639 1
1 435 . 1 1 1 A 86 86 ILE CB C 86 32.700 37.743 -5.043 1
1 439 . 1 1 1 A 86 86 ILE N N 86 117.800 120.978 -3.178 1
1 440 . 1 1 1 A 87 87 LYS H H 87 8.200 8.503 -0.303 1
1 441 . 1 1 1 A 87 87 LYS HA H 87 3.470 2.116 1.354 1
1 450 . 1 1 1 A 87 87 LYS C C 87 175.200 176.858 -1.658 1
1 451 . 1 1 1 A 87 87 LYS CA C 87 56.800 57.824 -1.024 1
1 452 . 1 1 1 A 87 87 LYS CB C 87 30.300 31.705 -1.405 1
1 456 . 1 1 1 A 87 87 LYS N N 87 130.300 126.100 4.200 1
1 457 . 1 1 1 A 88 88 GLY H H 88 8.820 8.021 0.799 1
1 458 . 1 1 1 A 88 88 GLY HA2 H 88 4.440 2.876 1.564 1
1 459 . 1 1 1 A 88 88 GLY HA3 H 88 3.560 3.896 -0.336 1
1 460 . 1 1 1 A 88 88 GLY C C 88 172.800 175.153 -2.353 1
1 461 . 1 1 1 A 88 88 GLY CA C 88 42.800 45.388 -2.588 1
1 462 . 1 1 1 A 88 88 GLY N N 88 110.400 113.206 -2.806 1
1 463 . 1 1 1 A 89 89 SER H H 89 8.570 8.130 0.440 1
1 464 . 1 1 1 A 89 89 SER HA H 89 4.040 3.959 0.081 1
1 467 . 1 1 1 A 89 89 SER C C 89 171.300 174.974 -3.674 1
1 468 . 1 1 1 A 89 89 SER CA C 89 58.200 61.663 -3.463 1
1 469 . 1 1 1 A 89 89 SER CB C 89 59.200 63.109 -3.909 1
1 470 . 1 1 1 A 89 89 SER N N 89 118.000 117.327 0.673 1
1 471 . 1 1 1 A 90 90 ASP H H 90 10.480 8.225 2.255 1
1 472 . 1 1 1 A 90 90 ASP HA H 90 4.580 4.594 -0.014 1
1 475 . 1 1 1 A 90 90 ASP C C 90 173.500 176.954 -3.454 1
1 476 . 1 1 1 A 90 90 ASP CA C 90 50.500 53.312 -2.812 1
1 477 . 1 1 1 A 90 90 ASP CB C 90 34.900 40.408 -5.508 1
1 478 . 1 1 1 A 90 90 ASP N N 90 116.400 116.222 0.178 1
1 479 . 1 1 1 A 91 91 CYS H H 91 7.420 7.832 -0.412 1
1 480 . 1 1 1 A 91 91 CYS HA H 91 5.180 4.959 0.221 1
1 483 . 1 1 1 A 91 91 CYS C C 91 172.800 174.273 -1.473 1
1 484 . 1 1 1 A 91 91 CYS CA C 91 50.600 55.858 -5.258 1
1 485 . 1 1 1 A 91 91 CYS CB C 91 38.000 43.391 -5.391 1
1 486 . 1 1 1 A 91 91 CYS N N 91 117.300 117.359 -0.059 1
1 487 . 1 1 1 A 92 92 VAL H H 92 7.320 7.620 -0.300 1
1 488 . 1 1 1 A 92 92 VAL HA H 92 3.470 3.648 -0.178 1
1 496 . 1 1 1 A 92 92 VAL C C 92 175.700 177.855 -2.155 1
1 497 . 1 1 1 A 92 92 VAL CA C 92 64.000 66.627 -2.627 1
1 498 . 1 1 1 A 92 92 VAL CB C 92 29.300 31.688 -2.388 1
1 501 . 1 1 1 A 92 92 VAL N N 92 120.500 122.817 -2.317 1
1 502 . 1 1 1 A 93 93 ASP H H 93 8.870 8.236 0.634 1
1 503 . 1 1 1 A 93 93 ASP HA H 93 4.280 4.400 -0.120 1
1 505 . 1 1 1 A 93 93 ASP C C 93 176.500 178.330 -1.830 1
1 506 . 1 1 1 A 93 93 ASP CA C 93 55.100 57.645 -2.545 1
1 507 . 1 1 1 A 93 93 ASP CB C 93 36.800 42.499 -5.699 1
1 508 . 1 1 1 A 93 93 ASP N N 93 120.500 120.291 0.209 1
1 509 . 1 1 1 A 94 94 GLN H H 94 9.140 7.764 1.376 1
1 510 . 1 1 1 A 94 94 GLN HA H 94 3.920 4.165 -0.245 1
1 517 . 1 1 1 A 94 94 GLN C C 94 178.100 178.616 -0.516 1
1 518 . 1 1 1 A 94 94 GLN CA C 94 57.100 57.932 -0.832 1
1 519 . 1 1 1 A 94 94 GLN CB C 94 24.500 28.475 -3.975 1
1 521 . 1 1 1 A 94 94 GLN N N 94 121.800 117.882 3.918 1
1 523 . 1 1 1 A 95 95 PHE H H 95 8.920 7.757 1.163 1
1 524 . 1 1 1 A 95 95 PHE HA H 95 4.130 4.314 -0.184 1
1 529 . 1 1 1 A 95 95 PHE C C 95 175.100 178.248 -3.148 1
1 530 . 1 1 1 A 95 95 PHE CA C 95 57.500 60.806 -3.306 1
1 531 . 1 1 1 A 95 95 PHE CB C 95 34.500 38.699 -4.199 1
1 532 . 1 1 1 A 95 95 PHE N N 95 122.500 118.834 3.666 1
1 533 . 1 1 1 A 96 96 ARG H H 96 8.500 8.650 -0.150 1
1 534 . 1 1 1 A 96 96 ARG HA H 96 4.040 3.939 0.101 1
1 540 . 1 1 1 A 96 96 ARG C C 96 175.700 178.180 -2.480 1
1 541 . 1 1 1 A 96 96 ARG CA C 96 56.800 59.820 -3.020 1
1 542 . 1 1 1 A 96 96 ARG CB C 96 26.800 29.747 -2.947 1
1 545 . 1 1 1 A 96 96 ARG N N 96 121.600 121.301 0.299 1
1 546 . 1 1 1 A 97 97 ALA H H 97 7.960 8.194 -0.234 1
1 547 . 1 1 1 A 97 97 ALA HA H 97 4.110 4.061 0.049 1
1 551 . 1 1 1 A 97 97 ALA C C 97 178.600 179.443 -0.843 1
1 552 . 1 1 1 A 97 97 ALA CA C 97 52.100 55.285 -3.185 1
1 553 . 1 1 1 A 97 97 ALA CB C 97 15.200 18.322 -3.122 1
1 554 . 1 1 1 A 97 97 ALA N N 97 120.300 121.778 -1.478 1
1 555 . 1 1 1 A 98 98 MET H H 98 7.600 8.104 -0.504 1
1 556 . 1 1 1 A 98 98 MET HA H 98 3.830 3.974 -0.144 1
1 559 . 1 1 1 A 98 98 MET C C 98 173.900 178.278 -4.378 1
1 560 . 1 1 1 A 98 98 MET CA C 98 56.400 58.289 -1.889 1
1 561 . 1 1 1 A 98 98 MET CB C 98 30.100 32.004 -1.904 1
1 563 . 1 1 1 A 98 98 MET N N 98 118.400 118.866 -0.466 1
1 564 . 1 1 1 A 99 99 GLN H H 99 8.410 8.226 0.184 1
1 565 . 1 1 1 A 99 99 GLN HA H 99 3.800 4.018 -0.218 1
1 569 . 1 1 1 A 99 99 GLN C C 99 173.400 178.132 -4.732 1
1 570 . 1 1 1 A 99 99 GLN CA C 99 56.800 59.134 -2.334 1
1 571 . 1 1 1 A 99 99 GLN CB C 99 25.900 28.486 -2.586 1
1 573 . 1 1 1 A 99 99 GLN N N 99 120.800 118.900 1.900 1
1 574 . 1 1 1 A 100 100 GLU H H 100 8.510 8.496 0.014 1
1 575 . 1 1 1 A 100 100 GLU HA H 100 3.820 3.984 -0.164 1
1 580 . 1 1 1 A 100 100 GLU C C 100 175.900 178.633 -2.733 1
1 581 . 1 1 1 A 100 100 GLU CA C 100 56.500 59.438 -2.938 1
1 582 . 1 1 1 A 100 100 GLU CB C 100 26.900 28.781 -1.881 1
1 584 . 1 1 1 A 100 100 GLU N N 100 117.600 116.789 0.811 1
1 585 . 1 1 1 A 101 101 CYS H H 101 7.310 7.948 -0.638 1
1 586 . 1 1 1 A 101 101 CYS HA H 101 4.230 4.022 0.208 1
1 589 . 1 1 1 A 101 101 CYS C C 101 173.800 176.602 -2.802 1
1 590 . 1 1 1 A 101 101 CYS CA C 101 57.800 59.550 -1.750 1
1 591 . 1 1 1 A 101 101 CYS CB C 101 36.500 41.620 -5.120 1
1 592 . 1 1 1 A 101 101 CYS N N 101 117.800 119.216 -1.416 1
1 593 . 1 1 1 A 102 102 MET H H 102 8.400 8.264 0.136 1
1 594 . 1 1 1 A 102 102 MET HA H 102 3.820 4.619 -0.799 1
1 599 . 1 1 1 A 102 102 MET C C 102 177.100 177.450 -0.350 1
1 600 . 1 1 1 A 102 102 MET CA C 102 57.100 57.047 0.053 1
1 601 . 1 1 1 A 102 102 MET CB C 102 30.200 31.953 -1.753 1
1 603 . 1 1 1 A 102 102 MET N N 102 119.100 119.675 -0.575 1
1 604 . 1 1 1 A 103 103 GLN H H 103 7.850 8.883 -1.033 1
1 605 . 1 1 1 A 103 103 GLN HA H 103 3.960 4.105 -0.145 1
1 612 . 1 1 1 A 103 103 GLN C C 103 174.000 177.417 -3.417 1
1 613 . 1 1 1 A 103 103 GLN CA C 103 55.000 57.858 -2.858 1
1 614 . 1 1 1 A 103 103 GLN CB C 103 25.900 27.522 -1.622 1
1 616 . 1 1 1 A 103 103 GLN N N 103 117.200 118.450 -1.250 1
1 618 . 1 1 1 A 104 104 LYS H H 104 7.470 7.608 -0.138 1
1 619 . 1 1 1 A 104 104 LYS HA H 104 3.880 4.256 -0.376 1
1 626 . 1 1 1 A 104 104 LYS C C 104 173.200 176.273 -3.073 1
1 627 . 1 1 1 A 104 104 LYS CA C 104 54.600 57.686 -3.086 1
1 628 . 1 1 1 A 104 104 LYS CB C 104 29.600 33.717 -4.117 1
1 632 . 1 1 1 A 104 104 LYS N N 104 116.700 117.721 -1.021 1
1 633 . 1 1 1 A 105 105 TYR H H 105 7.390 8.110 -0.720 1
1 634 . 1 1 1 A 105 105 TYR HA H 105 5.040 4.944 0.096 1
1 639 . 1 1 1 A 105 105 TYR C C 105 170.800 174.566 -3.766 1
1 640 . 1 1 1 A 105 105 TYR CA C 105 52.300 54.896 -2.596 1
1 641 . 1 1 1 A 105 105 TYR CB C 105 36.700 38.602 -1.902 1
1 642 . 1 1 1 A 105 105 TYR N N 105 115.700 117.848 -2.148 1
1 643 . 1 1 1 A 106 106 PRO HA H 106 4.470 4.447 0.023 1
1 650 . 1 1 1 A 106 106 PRO CA C 106 61.800 65.890 -4.090 1
1 651 . 1 1 1 A 106 106 PRO CB C 106 29.000 31.466 -2.466 1
1 654 . 1 1 1 A 107 107 ASP H H 107 8.750 8.363 0.387 1
1 655 . 1 1 1 A 107 107 ASP HA H 107 4.310 4.746 -0.436 1
1 658 . 1 1 1 A 107 107 ASP C C 107 174.000 176.494 -2.494 1
1 659 . 1 1 1 A 107 107 ASP CA C 107 52.200 54.049 -1.849 1
1 660 . 1 1 1 A 107 107 ASP CB C 107 36.800 41.642 -4.842 1
1 661 . 1 1 1 A 107 107 ASP N N 107 114.800 116.749 -1.949 1
1 662 . 1 1 1 A 108 108 LEU H H 108 7.270 7.768 -0.498 1
1 663 . 1 1 1 A 108 108 LEU HA H 108 4.030 3.970 0.060 1
1 673 . 1 1 1 A 108 108 LEU C C 108 173.800 177.938 -4.138 1
1 674 . 1 1 1 A 108 108 LEU CA C 108 52.500 56.763 -4.263 1
1 675 . 1 1 1 A 108 108 LEU CB C 108 40.000 41.433 -1.433 1
1 679 . 1 1 1 A 108 108 LEU N N 108 118.900 118.534 0.366 1
1 7 . 2 1 1 A 46 46 LEU HA H 46 3.970 4.205 -0.235 1
1 17 . 2 1 1 A 46 46 LEU CA C 46 55.000 56.264 -1.264 1
1 18 . 2 1 1 A 46 46 LEU CB C 46 40.300 40.043 0.257 1
1 22 . 2 1 1 A 47 47 ILE H H 47 7.570 8.074 -0.504 1
1 23 . 2 1 1 A 47 47 ILE HA H 47 4.270 4.143 0.127 1
1 33 . 2 1 1 A 47 47 ILE C C 47 174.500 175.581 -1.081 1
1 34 . 2 1 1 A 47 47 ILE CA C 47 54.600 60.166 -5.566 1
1 35 . 2 1 1 A 47 47 ILE CB C 47 34.500 38.269 -3.769 1
1 39 . 2 1 1 A 47 47 ILE N N 47 115.000 121.714 -6.714 1
1 40 . 2 1 1 A 48 48 LEU H H 48 8.760 8.801 -0.041 1
1 41 . 2 1 1 A 48 48 LEU HA H 48 4.260 4.350 -0.090 1
1 51 . 2 1 1 A 48 48 LEU C C 48 174.400 176.862 -2.462 1
1 52 . 2 1 1 A 48 48 LEU CA C 48 51.200 53.322 -2.122 1
1 53 . 2 1 1 A 48 48 LEU CB C 48 37.800 41.164 -3.364 1
1 57 . 2 1 1 A 48 48 LEU N N 48 127.400 126.414 0.986 1
1 58 . 2 1 1 A 49 49 PRO HA H 49 4.170 4.424 -0.254 1
1 63 . 2 1 1 A 49 49 PRO CA C 49 62.500 64.621 -2.121 1
1 64 . 2 1 1 A 49 49 PRO CB C 49 28.900 31.755 -2.855 1
1 67 . 2 1 1 A 50 50 ASN H H 50 7.180 7.856 -0.676 1
1 68 . 2 1 1 A 50 50 ASN HA H 50 4.420 4.627 -0.207 1
1 73 . 2 1 1 A 50 50 ASN C C 50 173.700 176.214 -2.514 1
1 74 . 2 1 1 A 50 50 ASN CA C 50 49.500 52.211 -2.711 1
1 75 . 2 1 1 A 50 50 ASN CB C 50 34.400 37.685 -3.285 1
1 76 . 2 1 1 A 50 50 ASN N N 50 111.000 112.789 -1.789 1
1 78 . 2 1 1 A 51 51 GLY H H 51 8.370 8.370 0.000 1
1 79 . 2 1 1 A 51 51 GLY HA2 H 51 4.220 3.881 0.339 1
1 80 . 2 1 1 A 51 51 GLY HA3 H 51 3.400 3.883 -0.483 1
1 81 . 2 1 1 A 51 51 GLY C C 51 171.500 173.810 -2.310 1
1 82 . 2 1 1 A 51 51 GLY CA C 51 42.200 45.665 -3.465 1
1 83 . 2 1 1 A 51 51 GLY N N 51 108.400 110.894 -2.494 1
1 84 . 2 1 1 A 52 52 ASN H H 52 7.810 7.766 0.044 1
1 85 . 2 1 1 A 52 52 ASN HA H 52 4.670 5.186 -0.516 1
1 90 . 2 1 1 A 52 52 ASN C C 52 170.900 173.857 -2.957 1
1 91 . 2 1 1 A 52 52 ASN CA C 52 49.400 51.263 -1.863 1
1 92 . 2 1 1 A 52 52 ASN CB C 52 36.100 41.569 -5.469 1
1 93 . 2 1 1 A 52 52 ASN N N 52 119.100 117.916 1.184 1
1 95 . 2 1 1 A 53 53 ILE H H 53 8.070 8.611 -0.541 1
1 96 . 2 1 1 A 53 53 ILE HA H 53 3.470 3.896 -0.426 1
1 106 . 2 1 1 A 53 53 ILE C C 53 172.300 174.850 -2.550 1
1 107 . 2 1 1 A 53 53 ILE CA C 53 59.100 60.562 -1.462 1
1 108 . 2 1 1 A 53 53 ILE CB C 53 36.000 37.696 -1.696 1
1 112 . 2 1 1 A 53 53 ILE N N 53 120.100 122.133 -2.033 1
1 113 . 2 1 1 A 54 54 ASN H H 54 8.700 8.184 0.516 1
1 114 . 2 1 1 A 54 54 ASN HA H 54 4.350 4.634 -0.284 1
1 119 . 2 1 1 A 54 54 ASN C C 54 172.300 175.806 -3.506 1
1 120 . 2 1 1 A 54 54 ASN CA C 54 47.500 51.549 -4.049 1
1 121 . 2 1 1 A 54 54 ASN CB C 54 34.200 37.931 -3.731 1
1 122 . 2 1 1 A 54 54 ASN N N 54 123.200 124.654 -1.454 1
1 124 . 2 1 1 A 55 55 TRP H H 55 7.520 8.060 -0.540 1
1 125 . 2 1 1 A 55 55 TRP HA H 55 4.300 4.637 -0.337 1
1 134 . 2 1 1 A 55 55 TRP C C 55 172.100 177.143 -5.043 1
1 135 . 2 1 1 A 55 55 TRP CA C 55 55.200 58.418 -3.218 1
1 136 . 2 1 1 A 55 55 TRP CB C 55 26.400 28.726 -2.326 1
1 137 . 2 1 1 A 55 55 TRP N N 55 124.600 125.287 -0.687 1
1 138 . 2 1 1 A 56 56 ASN H H 56 7.380 8.074 -0.694 1
1 139 . 2 1 1 A 56 56 ASN HA H 56 4.720 4.870 -0.150 1
1 144 . 2 1 1 A 56 56 ASN C C 56 172.100 175.649 -3.549 1
1 145 . 2 1 1 A 56 56 ASN CA C 56 49.500 53.895 -4.395 1
1 146 . 2 1 1 A 56 56 ASN CB C 56 36.200 39.061 -2.861 1
1 147 . 2 1 1 A 56 56 ASN N N 56 112.500 116.833 -4.333 1
1 149 . 2 1 1 A 57 57 CYS H H 57 7.460 7.159 0.301 1
1 150 . 2 1 1 A 57 57 CYS HA H 57 4.280 4.451 -0.171 1
1 153 . 2 1 1 A 57 57 CYS C C 57 173.000 175.051 -2.051 1
1 154 . 2 1 1 A 57 57 CYS CA C 57 54.900 58.409 -3.509 1
1 155 . 2 1 1 A 57 57 CYS CB C 57 25.000 27.458 -2.458 1
1 156 . 2 1 1 A 57 57 CYS N N 57 123.000 119.114 3.886 1
1 157 . 2 1 1 A 58 58 PRO HA H 58 4.200 4.355 -0.155 1
1 162 . 2 1 1 A 58 58 PRO CA C 58 62.700 65.949 -3.249 1
1 163 . 2 1 1 A 58 58 PRO CB C 58 29.300 31.396 -2.096 1
1 166 . 2 1 1 A 59 59 CYS HA H 59 4.390 4.140 0.250 1
1 168 . 2 1 1 A 59 59 CYS CA C 59 57.000 62.631 -5.631 1
1 169 . 2 1 1 A 59 59 CYS CB C 59 24.400 27.406 -3.006 1
1 170 . 2 1 1 A 60 60 LEU H H 60 7.500 8.228 -0.728 1
1 171 . 2 1 1 A 60 60 LEU HA H 60 4.180 4.053 0.127 1
1 181 . 2 1 1 A 60 60 LEU C C 60 175.700 179.044 -3.344 1
1 182 . 2 1 1 A 60 60 LEU CA C 60 52.000 57.885 -5.885 1
1 183 . 2 1 1 A 60 60 LEU CB C 60 39.000 41.856 -2.856 1
1 187 . 2 1 1 A 60 60 LEU N N 60 117.700 122.134 -4.434 1
1 188 . 2 1 1 A 61 61 GLY H H 61 7.880 8.788 -0.908 1
1 189 . 2 1 1 A 61 61 GLY HA2 H 61 3.830 3.936 -0.106 1
1 190 . 2 1 1 A 61 61 GLY HA3 H 61 3.680 4.038 -0.358 1
1 191 . 2 1 1 A 61 61 GLY C C 61 172.700 176.113 -3.413 1
1 192 . 2 1 1 A 61 61 GLY CA C 61 44.700 46.748 -2.048 1
1 193 . 2 1 1 A 61 61 GLY N N 61 105.700 106.514 -0.814 1
1 194 . 2 1 1 A 62 62 GLY H H 62 8.580 8.325 0.255 1
1 195 . 2 1 1 A 62 62 GLY HA2 H 62 3.810 3.760 0.050 1
1 196 . 2 1 1 A 62 62 GLY HA3 H 62 3.680 3.769 -0.089 1
1 197 . 2 1 1 A 62 62 GLY C C 62 174.000 176.183 -2.183 1
1 198 . 2 1 1 A 62 62 GLY CA C 62 42.800 46.976 -4.176 1
1 199 . 2 1 1 A 62 62 GLY N N 62 108.500 109.501 -1.001 1
1 200 . 2 1 1 A 63 63 MET H H 63 7.460 7.561 -0.101 1
1 201 . 2 1 1 A 63 63 MET HA H 63 3.870 3.894 -0.024 1
1 206 . 2 1 1 A 63 63 MET C C 63 174.600 177.185 -2.585 1
1 207 . 2 1 1 A 63 63 MET CA C 63 54.400 57.505 -3.105 1
1 208 . 2 1 1 A 63 63 MET CB C 63 27.600 30.822 -3.222 1
1 210 . 2 1 1 A 63 63 MET N N 63 118.500 119.761 -1.261 1
1 211 . 2 1 1 A 64 64 ALA H H 64 8.080 7.447 0.633 1
1 212 . 2 1 1 A 64 64 ALA HA H 64 4.220 4.207 0.013 1
1 216 . 2 1 1 A 64 64 ALA C C 64 173.800 176.323 -2.523 1
1 217 . 2 1 1 A 64 64 ALA CA C 64 50.400 51.985 -1.585 1
1 218 . 2 1 1 A 64 64 ALA CB C 64 16.500 19.089 -2.589 1
1 219 . 2 1 1 A 64 64 ALA N N 64 117.500 120.184 -2.684 1
1 220 . 2 1 1 A 65 65 SER H H 65 7.460 7.718 -0.258 1
1 221 . 2 1 1 A 65 65 SER HA H 65 4.570 4.623 -0.053 1
1 224 . 2 1 1 A 65 65 SER C C 65 171.500 174.123 -2.623 1
1 225 . 2 1 1 A 65 65 SER CA C 65 54.800 56.250 -1.450 1
1 226 . 2 1 1 A 65 65 SER CB C 65 61.800 65.708 -3.908 1
1 227 . 2 1 1 A 65 65 SER N N 65 111.200 113.634 -2.434 1
1 228 . 2 1 1 A 66 66 GLY H H 66 7.480 8.560 -1.080 1
1 229 . 2 1 1 A 66 66 GLY HA2 H 66 3.980 4.111 -0.131 1
1 230 . 2 1 1 A 66 66 GLY HA3 H 66 4.030 4.154 -0.124 1
1 231 . 2 1 1 A 66 66 GLY C C 66 170.600 174.261 -3.661 1
1 232 . 2 1 1 A 66 66 GLY CA C 66 42.000 44.643 -2.643 1
1 233 . 2 1 1 A 66 66 GLY N N 66 108.800 111.605 -2.805 1
1 234 . 2 1 1 A 67 67 PRO HA H 67 4.210 4.342 -0.132 1
1 241 . 2 1 1 A 67 67 PRO CA C 67 62.000 65.743 -3.743 1
1 242 . 2 1 1 A 67 67 PRO CB C 67 28.900 31.216 -2.316 1
1 245 . 2 1 1 A 68 68 CYS H H 68 7.700 8.218 -0.518 1
1 246 . 2 1 1 A 68 68 CYS HA H 68 5.450 4.395 1.055 1
1 249 . 2 1 1 A 68 68 CYS C C 68 173.500 176.503 -3.003 1
1 250 . 2 1 1 A 68 68 CYS CA C 68 49.500 59.191 -9.691 1
1 251 . 2 1 1 A 68 68 CYS CB C 68 36.200 41.589 -5.389 1
1 252 . 2 1 1 A 68 68 CYS N N 68 115.300 114.498 0.802 1
1 253 . 2 1 1 A 69 69 GLY H H 69 7.840 8.428 -0.588 1
1 254 . 2 1 1 A 69 69 GLY HA2 H 69 3.950 3.818 0.132 1
1 255 . 2 1 1 A 69 69 GLY HA3 H 69 3.550 3.874 -0.324 1
1 256 . 2 1 1 A 69 69 GLY C C 69 173.300 176.196 -2.896 1
1 257 . 2 1 1 A 69 69 GLY CA C 69 45.200 47.041 -1.841 1
1 258 . 2 1 1 A 69 69 GLY N N 69 110.200 109.544 0.656 1
1 259 . 2 1 1 A 70 70 GLU H H 70 8.650 8.811 -0.161 1
1 260 . 2 1 1 A 70 70 GLU HA H 70 3.760 3.968 -0.208 1
1 265 . 2 1 1 A 70 70 GLU C C 70 176.800 178.330 -1.530 1
1 266 . 2 1 1 A 70 70 GLU CA C 70 56.300 59.147 -2.847 1
1 267 . 2 1 1 A 70 70 GLU CB C 70 26.000 29.004 -3.004 1
1 269 . 2 1 1 A 70 70 GLU N N 70 120.000 120.873 -0.873 1
1 270 . 2 1 1 A 71 71 GLN H H 71 8.860 7.805 1.055 1
1 271 . 2 1 1 A 71 71 GLN HA H 71 3.850 4.135 -0.285 1
1 278 . 2 1 1 A 71 71 GLN C C 71 177.400 178.344 -0.944 1
1 279 . 2 1 1 A 71 71 GLN CA C 71 57.200 58.549 -1.349 1
1 280 . 2 1 1 A 71 71 GLN CB C 71 24.400 28.773 -4.373 1
1 282 . 2 1 1 A 71 71 GLN N N 71 120.800 118.908 1.892 1
1 284 . 2 1 1 A 72 72 PHE H H 72 8.890 7.666 1.224 1
1 285 . 2 1 1 A 72 72 PHE HA H 72 4.200 4.094 0.106 1
1 291 . 2 1 1 A 72 72 PHE C C 72 173.500 177.732 -4.232 1
1 292 . 2 1 1 A 72 72 PHE CA C 72 59.000 61.489 -2.489 1
1 293 . 2 1 1 A 72 72 PHE CB C 72 36.000 39.132 -3.132 1
1 294 . 2 1 1 A 72 72 PHE N N 72 123.400 121.420 1.980 1
1 295 . 2 1 1 A 73 73 LYS H H 73 8.480 8.007 0.473 1
1 296 . 2 1 1 A 73 73 LYS HA H 73 3.430 3.535 -0.105 1
1 304 . 2 1 1 A 73 73 LYS C C 73 177.600 178.462 -0.862 1
1 305 . 2 1 1 A 73 73 LYS CA C 73 56.700 59.313 -2.613 1
1 306 . 2 1 1 A 73 73 LYS CB C 73 29.600 31.971 -2.371 1
1 310 . 2 1 1 A 73 73 LYS N N 73 119.900 118.363 1.537 1
1 311 . 2 1 1 A 74 74 SER H H 74 7.780 7.723 0.057 1
1 312 . 2 1 1 A 74 74 SER HA H 74 4.120 4.169 -0.049 1
1 315 . 2 1 1 A 74 74 SER C C 74 174.300 177.306 -3.006 1
1 316 . 2 1 1 A 74 74 SER CA C 74 58.700 61.615 -2.915 1
1 317 . 2 1 1 A 74 74 SER CB C 74 59.900 63.032 -3.132 1
1 318 . 2 1 1 A 74 74 SER N N 74 114.200 114.320 -0.120 1
1 319 . 2 1 1 A 75 75 ALA H H 75 7.870 8.267 -0.397 1
1 320 . 2 1 1 A 75 75 ALA HA H 75 3.840 4.062 -0.222 1
1 324 . 2 1 1 A 75 75 ALA C C 75 175.100 179.943 -4.843 1
1 325 . 2 1 1 A 75 75 ALA CA C 75 53.200 54.874 -1.674 1
1 326 . 2 1 1 A 75 75 ALA CB C 75 15.500 18.355 -2.855 1
1 327 . 2 1 1 A 75 75 ALA N N 75 123.100 122.663 0.437 1
1 328 . 2 1 1 A 76 76 PHE H H 76 9.450 7.921 1.529 1
1 329 . 2 1 1 A 76 76 PHE HA H 76 3.700 4.237 -0.537 1
1 334 . 2 1 1 A 76 76 PHE C C 76 174.600 177.793 -3.193 1
1 335 . 2 1 1 A 76 76 PHE CA C 76 59.600 62.155 -2.555 1
1 336 . 2 1 1 A 76 76 PHE CB C 76 35.800 38.841 -3.041 1
1 337 . 2 1 1 A 76 76 PHE N N 76 118.800 119.479 -0.679 1
1 338 . 2 1 1 A 77 77 SER H H 77 8.550 8.304 0.246 1
1 339 . 2 1 1 A 77 77 SER HA H 77 4.130 4.253 -0.123 1
1 341 . 2 1 1 A 77 77 SER C C 77 172.200 177.578 -5.378 1
1 342 . 2 1 1 A 77 77 SER CA C 77 60.100 62.050 -1.950 1
1 343 . 2 1 1 A 77 77 SER CB C 77 59.800 62.994 -3.194 1
1 344 . 2 1 1 A 77 77 SER N N 77 113.200 113.445 -0.245 1
1 345 . 2 1 1 A 78 78 CYS H H 78 7.430 8.661 -1.231 1
1 346 . 2 1 1 A 78 78 CYS HA H 78 4.080 4.090 -0.010 1
1 349 . 2 1 1 A 78 78 CYS C C 78 174.000 176.126 -2.126 1
1 350 . 2 1 1 A 78 78 CYS CA C 78 57.900 60.606 -2.706 1
1 351 . 2 1 1 A 78 78 CYS CB C 78 36.400 41.128 -4.728 1
1 352 . 2 1 1 A 78 78 CYS N N 78 118.900 119.364 -0.464 1
1 353 . 2 1 1 A 79 79 PHE H H 79 8.270 8.467 -0.197 1
1 354 . 2 1 1 A 79 79 PHE HA H 79 3.740 4.214 -0.474 1
1 359 . 2 1 1 A 79 79 PHE C C 79 173.600 177.355 -3.755 1
1 360 . 2 1 1 A 79 79 PHE CA C 79 59.200 61.690 -2.490 1
1 361 . 2 1 1 A 79 79 PHE CB C 79 37.000 39.085 -2.085 1
1 362 . 2 1 1 A 79 79 PHE N N 79 120.400 122.133 -1.733 1
1 363 . 2 1 1 A 80 80 HIS H H 80 8.840 8.215 0.625 1
1 364 . 2 1 1 A 80 80 HIS HA H 80 3.460 3.780 -0.320 1
1 368 . 2 1 1 A 80 80 HIS C C 80 175.700 176.391 -0.691 1
1 369 . 2 1 1 A 80 80 HIS CA C 80 57.000 59.487 -2.487 1
1 370 . 2 1 1 A 80 80 HIS CB C 80 28.300 30.320 -2.020 1
1 371 . 2 1 1 A 80 80 HIS N N 80 118.400 118.343 0.057 1
1 372 . 2 1 1 A 81 81 TYR H H 81 7.710 8.426 -0.716 1
1 373 . 2 1 1 A 81 81 TYR HA H 81 4.080 3.936 0.144 1
1 378 . 2 1 1 A 81 81 TYR C C 81 172.400 177.776 -5.376 1
1 379 . 2 1 1 A 81 81 TYR CA C 81 56.100 61.884 -5.784 1
1 380 . 2 1 1 A 81 81 TYR CB C 81 34.800 37.276 -2.476 1
1 381 . 2 1 1 A 81 81 TYR N N 81 113.400 117.080 -3.680 1
1 382 . 2 1 1 A 82 82 SER H H 82 7.070 7.912 -0.842 1
1 383 . 2 1 1 A 82 82 SER HA H 82 4.410 4.289 0.121 1
1 386 . 2 1 1 A 82 82 SER C C 82 174.500 174.350 0.150 1
1 387 . 2 1 1 A 82 82 SER CA C 82 56.300 61.037 -4.737 1
1 388 . 2 1 1 A 82 82 SER CB C 82 59.200 63.211 -4.011 1
1 389 . 2 1 1 A 82 82 SER N N 82 115.600 116.506 -0.906 1
1 390 . 2 1 1 A 83 83 THR H H 83 9.290 7.749 1.541 1
1 391 . 2 1 1 A 83 83 THR HA H 83 4.400 3.864 0.536 1
1 396 . 2 1 1 A 83 83 THR C C 83 172.200 174.566 -2.366 1
1 397 . 2 1 1 A 83 83 THR CA C 83 57.500 63.332 -5.832 1
1 398 . 2 1 1 A 83 83 THR CB C 83 65.800 66.660 -0.860 1
1 400 . 2 1 1 A 83 83 THR N N 83 120.400 114.738 5.662 1
1 401 . 2 1 1 A 84 84 GLU H H 84 7.170 8.302 -1.132 1
1 402 . 2 1 1 A 84 84 GLU HA H 84 3.860 4.139 -0.279 1
1 406 . 2 1 1 A 84 84 GLU C C 84 173.300 176.337 -3.037 1
1 407 . 2 1 1 A 84 84 GLU CA C 84 53.100 59.448 -6.348 1
1 408 . 2 1 1 A 84 84 GLU CB C 84 28.400 30.227 -1.827 1
1 410 . 2 1 1 A 84 84 GLU N N 84 121.600 123.018 -1.418 1
1 411 . 2 1 1 A 85 85 GLU H H 85 8.390 8.080 0.310 1
1 412 . 2 1 1 A 85 85 GLU HA H 85 3.730 4.429 -0.699 1
1 417 . 2 1 1 A 85 85 GLU C C 85 175.500 175.988 -0.488 1
1 418 . 2 1 1 A 85 85 GLU CA C 85 56.700 59.215 -2.515 1
1 419 . 2 1 1 A 85 85 GLU CB C 85 26.900 27.567 -0.667 1
1 421 . 2 1 1 A 85 85 GLU N N 85 121.800 115.779 6.021 1
1 422 . 2 1 1 A 86 86 ILE H H 86 8.060 8.175 -0.115 1
1 423 . 2 1 1 A 86 86 ILE HA H 86 4.060 4.090 -0.030 1
1 433 . 2 1 1 A 86 86 ILE C C 86 172.400 175.312 -2.912 1
1 434 . 2 1 1 A 86 86 ILE CA C 86 56.800 60.738 -3.938 1
1 435 . 2 1 1 A 86 86 ILE CB C 86 32.700 38.058 -5.358 1
1 439 . 2 1 1 A 86 86 ILE N N 86 117.800 120.751 -2.951 1
1 440 . 2 1 1 A 87 87 LYS H H 87 8.200 8.334 -0.134 1
1 441 . 2 1 1 A 87 87 LYS HA H 87 3.470 2.075 1.395 1
1 450 . 2 1 1 A 87 87 LYS C C 87 175.200 176.688 -1.488 1
1 451 . 2 1 1 A 87 87 LYS CA C 87 56.800 57.572 -0.772 1
1 452 . 2 1 1 A 87 87 LYS CB C 87 30.300 31.481 -1.181 1
1 456 . 2 1 1 A 87 87 LYS N N 87 130.300 126.929 3.371 1
1 457 . 2 1 1 A 88 88 GLY H H 88 8.820 8.470 0.350 1
1 458 . 2 1 1 A 88 88 GLY HA2 H 88 4.440 2.804 1.636 1
1 459 . 2 1 1 A 88 88 GLY HA3 H 88 3.560 3.294 0.266 1
1 460 . 2 1 1 A 88 88 GLY C C 88 172.800 174.994 -2.194 1
1 461 . 2 1 1 A 88 88 GLY CA C 88 42.800 44.602 -1.802 1
1 462 . 2 1 1 A 88 88 GLY N N 88 110.400 113.496 -3.096 1
1 463 . 2 1 1 A 89 89 SER H H 89 8.570 8.171 0.399 1
1 464 . 2 1 1 A 89 89 SER HA H 89 4.040 3.966 0.074 1
1 467 . 2 1 1 A 89 89 SER C C 89 171.300 175.531 -4.231 1
1 468 . 2 1 1 A 89 89 SER CA C 89 58.200 61.764 -3.564 1
1 469 . 2 1 1 A 89 89 SER CB C 89 59.200 63.322 -4.122 1
1 470 . 2 1 1 A 89 89 SER N N 89 118.000 117.446 0.554 1
1 471 . 2 1 1 A 90 90 ASP H H 90 10.480 8.059 2.421 1
1 472 . 2 1 1 A 90 90 ASP HA H 90 4.580 4.406 0.174 1
1 475 . 2 1 1 A 90 90 ASP C C 90 173.500 177.247 -3.747 1
1 476 . 2 1 1 A 90 90 ASP CA C 90 50.500 54.742 -4.242 1
1 477 . 2 1 1 A 90 90 ASP CB C 90 34.900 40.784 -5.884 1
1 478 . 2 1 1 A 90 90 ASP N N 90 116.400 119.193 -2.793 1
1 479 . 2 1 1 A 91 91 CYS H H 91 7.420 7.673 -0.253 1
1 480 . 2 1 1 A 91 91 CYS HA H 91 5.180 4.994 0.186 1
1 483 . 2 1 1 A 91 91 CYS C C 91 172.800 174.488 -1.688 1
1 484 . 2 1 1 A 91 91 CYS CA C 91 50.600 55.951 -5.351 1
1 485 . 2 1 1 A 91 91 CYS CB C 91 38.000 43.670 -5.670 1
1 486 . 2 1 1 A 91 91 CYS N N 91 117.300 116.577 0.723 1
1 487 . 2 1 1 A 92 92 VAL H H 92 7.320 7.637 -0.317 1
1 488 . 2 1 1 A 92 92 VAL HA H 92 3.470 3.712 -0.242 1
1 496 . 2 1 1 A 92 92 VAL C C 92 175.700 177.028 -1.328 1
1 497 . 2 1 1 A 92 92 VAL CA C 92 64.000 65.101 -1.101 1
1 498 . 2 1 1 A 92 92 VAL CB C 92 29.300 31.434 -2.134 1
1 501 . 2 1 1 A 92 92 VAL N N 92 120.500 121.866 -1.366 1
1 502 . 2 1 1 A 93 93 ASP H H 93 8.870 8.230 0.640 1
1 503 . 2 1 1 A 93 93 ASP HA H 93 4.280 4.383 -0.103 1
1 505 . 2 1 1 A 93 93 ASP C C 93 176.500 178.982 -2.482 1
1 506 . 2 1 1 A 93 93 ASP CA C 93 55.100 57.610 -2.510 1
1 507 . 2 1 1 A 93 93 ASP CB C 93 36.800 40.350 -3.550 1
1 508 . 2 1 1 A 93 93 ASP N N 93 120.500 121.693 -1.193 1
1 509 . 2 1 1 A 94 94 GLN H H 94 9.140 7.863 1.277 1
1 510 . 2 1 1 A 94 94 GLN HA H 94 3.920 4.229 -0.309 1
1 517 . 2 1 1 A 94 94 GLN C C 94 178.100 178.516 -0.416 1
1 518 . 2 1 1 A 94 94 GLN CA C 94 57.100 58.043 -0.943 1
1 519 . 2 1 1 A 94 94 GLN CB C 94 24.500 28.906 -4.406 1
1 521 . 2 1 1 A 94 94 GLN N N 94 121.800 119.392 2.408 1
1 523 . 2 1 1 A 95 95 PHE H H 95 8.920 7.929 0.991 1
1 524 . 2 1 1 A 95 95 PHE HA H 95 4.130 4.274 -0.144 1
1 529 . 2 1 1 A 95 95 PHE C C 95 175.100 178.176 -3.076 1
1 530 . 2 1 1 A 95 95 PHE CA C 95 57.500 60.850 -3.350 1
1 531 . 2 1 1 A 95 95 PHE CB C 95 34.500 38.567 -4.067 1
1 532 . 2 1 1 A 95 95 PHE N N 95 122.500 119.132 3.368 1
1 533 . 2 1 1 A 96 96 ARG H H 96 8.500 8.678 -0.178 1
1 534 . 2 1 1 A 96 96 ARG HA H 96 4.040 3.935 0.105 1
1 540 . 2 1 1 A 96 96 ARG C C 96 175.700 178.219 -2.519 1
1 541 . 2 1 1 A 96 96 ARG CA C 96 56.800 59.878 -3.078 1
1 542 . 2 1 1 A 96 96 ARG CB C 96 26.800 29.666 -2.866 1
1 545 . 2 1 1 A 96 96 ARG N N 96 121.600 120.948 0.652 1
1 546 . 2 1 1 A 97 97 ALA H H 97 7.960 8.340 -0.380 1
1 547 . 2 1 1 A 97 97 ALA HA H 97 4.110 4.081 0.029 1
1 551 . 2 1 1 A 97 97 ALA C C 97 178.600 179.822 -1.222 1
1 552 . 2 1 1 A 97 97 ALA CA C 97 52.100 55.309 -3.209 1
1 553 . 2 1 1 A 97 97 ALA CB C 97 15.200 17.852 -2.652 1
1 554 . 2 1 1 A 97 97 ALA N N 97 120.300 120.947 -0.647 1
1 555 . 2 1 1 A 98 98 MET H H 98 7.600 8.338 -0.738 1
1 556 . 2 1 1 A 98 98 MET HA H 98 3.830 3.971 -0.141 1
1 559 . 2 1 1 A 98 98 MET C C 98 173.900 178.048 -4.148 1
1 560 . 2 1 1 A 98 98 MET CA C 98 56.400 58.440 -2.040 1
1 561 . 2 1 1 A 98 98 MET CB C 98 30.100 31.751 -1.651 1
1 563 . 2 1 1 A 98 98 MET N N 98 118.400 118.885 -0.485 1
1 564 . 2 1 1 A 99 99 GLN H H 99 8.410 8.063 0.347 1
1 565 . 2 1 1 A 99 99 GLN HA H 99 3.800 4.042 -0.242 1
1 569 . 2 1 1 A 99 99 GLN C C 99 173.400 178.651 -5.251 1
1 570 . 2 1 1 A 99 99 GLN CA C 99 56.800 58.876 -2.076 1
1 571 . 2 1 1 A 99 99 GLN CB C 99 25.900 28.541 -2.641 1
1 573 . 2 1 1 A 99 99 GLN N N 99 120.800 118.009 2.791 1
1 574 . 2 1 1 A 100 100 GLU H H 100 8.510 8.560 -0.050 1
1 575 . 2 1 1 A 100 100 GLU HA H 100 3.820 3.973 -0.153 1
1 580 . 2 1 1 A 100 100 GLU C C 100 175.900 178.424 -2.524 1
1 581 . 2 1 1 A 100 100 GLU CA C 100 56.500 59.416 -2.916 1
1 582 . 2 1 1 A 100 100 GLU CB C 100 26.900 28.879 -1.979 1
1 584 . 2 1 1 A 100 100 GLU N N 100 117.600 118.118 -0.518 1
1 585 . 2 1 1 A 101 101 CYS H H 101 7.310 8.181 -0.871 1
1 586 . 2 1 1 A 101 101 CYS HA H 101 4.230 4.119 0.111 1
1 589 . 2 1 1 A 101 101 CYS C C 101 173.800 176.568 -2.768 1
1 590 . 2 1 1 A 101 101 CYS CA C 101 57.800 59.404 -1.604 1
1 591 . 2 1 1 A 101 101 CYS CB C 101 36.500 41.942 -5.442 1
1 592 . 2 1 1 A 101 101 CYS N N 101 117.800 118.925 -1.125 1
1 593 . 2 1 1 A 102 102 MET H H 102 8.400 8.559 -0.159 1
1 594 . 2 1 1 A 102 102 MET HA H 102 3.820 4.493 -0.673 1
1 599 . 2 1 1 A 102 102 MET C C 102 177.100 177.899 -0.799 1
1 600 . 2 1 1 A 102 102 MET CA C 102 57.100 57.444 -0.344 1
1 601 . 2 1 1 A 102 102 MET CB C 102 30.200 31.415 -1.215 1
1 603 . 2 1 1 A 102 102 MET N N 102 119.100 119.590 -0.490 1
1 604 . 2 1 1 A 103 103 GLN H H 103 7.850 8.381 -0.531 1
1 605 . 2 1 1 A 103 103 GLN HA H 103 3.960 4.151 -0.191 1
1 612 . 2 1 1 A 103 103 GLN C C 103 174.000 177.195 -3.195 1
1 613 . 2 1 1 A 103 103 GLN CA C 103 55.000 57.864 -2.864 1
1 614 . 2 1 1 A 103 103 GLN CB C 103 25.900 27.191 -1.291 1
1 616 . 2 1 1 A 103 103 GLN N N 103 117.200 117.410 -0.210 1
1 618 . 2 1 1 A 104 104 LYS H H 104 7.470 7.481 -0.011 1
1 619 . 2 1 1 A 104 104 LYS HA H 104 3.880 4.187 -0.307 1
1 626 . 2 1 1 A 104 104 LYS C C 104 173.200 176.203 -3.003 1
1 627 . 2 1 1 A 104 104 LYS CA C 104 54.600 57.986 -3.386 1
1 628 . 2 1 1 A 104 104 LYS CB C 104 29.600 32.940 -3.340 1
1 632 . 2 1 1 A 104 104 LYS N N 104 116.700 117.951 -1.251 1
1 633 . 2 1 1 A 105 105 TYR H H 105 7.390 7.834 -0.444 1
1 634 . 2 1 1 A 105 105 TYR HA H 105 5.040 4.991 0.049 1
1 639 . 2 1 1 A 105 105 TYR C C 105 170.800 174.569 -3.769 1
1 640 . 2 1 1 A 105 105 TYR CA C 105 52.300 55.071 -2.771 1
1 641 . 2 1 1 A 105 105 TYR CB C 105 36.700 38.960 -2.260 1
1 642 . 2 1 1 A 105 105 TYR N N 105 115.700 117.674 -1.974 1
1 643 . 2 1 1 A 106 106 PRO HA H 106 4.470 4.579 -0.109 1
1 650 . 2 1 1 A 106 106 PRO CA C 106 61.800 65.149 -3.349 1
1 651 . 2 1 1 A 106 106 PRO CB C 106 29.000 32.006 -3.006 1
1 654 . 2 1 1 A 107 107 ASP H H 107 8.750 8.137 0.613 1
1 655 . 2 1 1 A 107 107 ASP HA H 107 4.310 5.111 -0.801 1
1 658 . 2 1 1 A 107 107 ASP C C 107 174.000 176.381 -2.381 1
1 659 . 2 1 1 A 107 107 ASP CA C 107 52.200 53.445 -1.245 1
1 660 . 2 1 1 A 107 107 ASP CB C 107 36.800 42.089 -5.289 1
1 661 . 2 1 1 A 107 107 ASP N N 107 114.800 116.779 -1.979 1
1 662 . 2 1 1 A 108 108 LEU H H 108 7.270 7.787 -0.517 1
1 663 . 2 1 1 A 108 108 LEU HA H 108 4.030 3.768 0.262 1
1 673 . 2 1 1 A 108 108 LEU C C 108 173.800 177.743 -3.943 1
1 674 . 2 1 1 A 108 108 LEU CA C 108 52.500 57.452 -4.952 1
1 675 . 2 1 1 A 108 108 LEU CB C 108 40.000 40.818 -0.818 1
1 679 . 2 1 1 A 108 108 LEU N N 108 118.900 119.780 -0.880 1
1 7 . 3 1 1 A 46 46 LEU HA H 46 3.970 4.245 -0.275 1
1 17 . 3 1 1 A 46 46 LEU CA C 46 55.000 55.548 -0.548 1
1 18 . 3 1 1 A 46 46 LEU CB C 46 40.300 41.730 -1.430 1
1 22 . 3 1 1 A 47 47 ILE H H 47 7.570 7.567 0.003 1
1 23 . 3 1 1 A 47 47 ILE HA H 47 4.270 4.290 -0.020 1
1 33 . 3 1 1 A 47 47 ILE C C 47 174.500 175.588 -1.088 1
1 34 . 3 1 1 A 47 47 ILE CA C 47 54.600 59.733 -5.133 1
1 35 . 3 1 1 A 47 47 ILE CB C 47 34.500 38.948 -4.448 1
1 39 . 3 1 1 A 47 47 ILE N N 47 115.000 121.631 -6.631 1
1 40 . 3 1 1 A 48 48 LEU H H 48 8.760 8.568 0.192 1
1 41 . 3 1 1 A 48 48 LEU HA H 48 4.260 4.297 -0.037 1
1 51 . 3 1 1 A 48 48 LEU C C 48 174.400 176.915 -2.515 1
1 52 . 3 1 1 A 48 48 LEU CA C 48 51.200 53.600 -2.400 1
1 53 . 3 1 1 A 48 48 LEU CB C 48 37.800 41.173 -3.373 1
1 57 . 3 1 1 A 48 48 LEU N N 48 127.400 127.945 -0.545 1
1 58 . 3 1 1 A 49 49 PRO HA H 49 4.170 4.430 -0.260 1
1 63 . 3 1 1 A 49 49 PRO CA C 49 62.500 64.605 -2.105 1
1 64 . 3 1 1 A 49 49 PRO CB C 49 28.900 31.756 -2.856 1
1 67 . 3 1 1 A 50 50 ASN H H 50 7.180 7.878 -0.698 1
1 68 . 3 1 1 A 50 50 ASN HA H 50 4.420 4.856 -0.436 1
1 73 . 3 1 1 A 50 50 ASN C C 50 173.700 175.453 -1.753 1
1 74 . 3 1 1 A 50 50 ASN CA C 50 49.500 52.837 -3.337 1
1 75 . 3 1 1 A 50 50 ASN CB C 50 34.400 39.020 -4.620 1
1 76 . 3 1 1 A 50 50 ASN N N 50 111.000 115.928 -4.928 1
1 78 . 3 1 1 A 51 51 GLY H H 51 8.370 8.224 0.146 1
1 79 . 3 1 1 A 51 51 GLY HA2 H 51 4.220 3.833 0.387 1
1 80 . 3 1 1 A 51 51 GLY HA3 H 51 3.400 3.855 -0.455 1
1 81 . 3 1 1 A 51 51 GLY C C 51 171.500 174.007 -2.507 1
1 82 . 3 1 1 A 51 51 GLY CA C 51 42.200 44.915 -2.715 1
1 83 . 3 1 1 A 51 51 GLY N N 51 108.400 108.199 0.201 1
1 84 . 3 1 1 A 52 52 ASN H H 52 7.810 8.131 -0.321 1
1 85 . 3 1 1 A 52 52 ASN HA H 52 4.670 5.056 -0.386 1
1 90 . 3 1 1 A 52 52 ASN C C 52 170.900 174.934 -4.034 1
1 91 . 3 1 1 A 52 52 ASN CA C 52 49.400 52.824 -3.424 1
1 92 . 3 1 1 A 52 52 ASN CB C 52 36.100 40.384 -4.284 1
1 93 . 3 1 1 A 52 52 ASN N N 52 119.100 120.007 -0.907 1
1 95 . 3 1 1 A 53 53 ILE H H 53 8.070 8.283 -0.213 1
1 96 . 3 1 1 A 53 53 ILE HA H 53 3.470 3.867 -0.397 1
1 106 . 3 1 1 A 53 53 ILE C C 53 172.300 174.882 -2.582 1
1 107 . 3 1 1 A 53 53 ILE CA C 53 59.100 60.295 -1.195 1
1 108 . 3 1 1 A 53 53 ILE CB C 53 36.000 37.353 -1.353 1
1 112 . 3 1 1 A 53 53 ILE N N 53 120.100 123.904 -3.804 1
1 113 . 3 1 1 A 54 54 ASN H H 54 8.700 8.561 0.139 1
1 114 . 3 1 1 A 54 54 ASN HA H 54 4.350 4.600 -0.250 1
1 119 . 3 1 1 A 54 54 ASN C C 54 172.300 175.501 -3.201 1
1 120 . 3 1 1 A 54 54 ASN CA C 54 47.500 51.706 -4.206 1
1 121 . 3 1 1 A 54 54 ASN CB C 54 34.200 37.242 -3.042 1
1 122 . 3 1 1 A 54 54 ASN N N 54 123.200 124.428 -1.228 1
1 124 . 3 1 1 A 55 55 TRP H H 55 7.520 7.333 0.187 1
1 125 . 3 1 1 A 55 55 TRP HA H 55 4.300 4.510 -0.210 1
1 134 . 3 1 1 A 55 55 TRP C C 55 172.100 177.812 -5.712 1
1 135 . 3 1 1 A 55 55 TRP CA C 55 55.200 59.652 -4.452 1
1 136 . 3 1 1 A 55 55 TRP CB C 55 26.400 28.431 -2.031 1
1 137 . 3 1 1 A 55 55 TRP N N 55 124.600 124.784 -0.184 1
1 138 . 3 1 1 A 56 56 ASN H H 56 7.380 7.817 -0.437 1
1 139 . 3 1 1 A 56 56 ASN HA H 56 4.720 4.790 -0.070 1
1 144 . 3 1 1 A 56 56 ASN C C 56 172.100 175.572 -3.472 1
1 145 . 3 1 1 A 56 56 ASN CA C 56 49.500 54.204 -4.704 1
1 146 . 3 1 1 A 56 56 ASN CB C 56 36.200 38.794 -2.594 1
1 147 . 3 1 1 A 56 56 ASN N N 56 112.500 116.890 -4.390 1
1 149 . 3 1 1 A 57 57 CYS H H 57 7.460 7.355 0.105 1
1 150 . 3 1 1 A 57 57 CYS HA H 57 4.280 4.474 -0.194 1
1 153 . 3 1 1 A 57 57 CYS C C 57 173.000 174.526 -1.526 1
1 154 . 3 1 1 A 57 57 CYS CA C 57 54.900 58.610 -3.710 1
1 155 . 3 1 1 A 57 57 CYS CB C 57 25.000 27.131 -2.131 1
1 156 . 3 1 1 A 57 57 CYS N N 57 123.000 118.660 4.340 1
1 157 . 3 1 1 A 58 58 PRO HA H 58 4.200 4.328 -0.128 1
1 162 . 3 1 1 A 58 58 PRO CA C 58 62.700 65.755 -3.055 1
1 163 . 3 1 1 A 58 58 PRO CB C 58 29.300 31.651 -2.351 1
1 166 . 3 1 1 A 59 59 CYS HA H 59 4.390 4.165 0.225 1
1 168 . 3 1 1 A 59 59 CYS CA C 59 57.000 62.596 -5.596 1
1 169 . 3 1 1 A 59 59 CYS CB C 59 24.400 27.932 -3.532 1
1 170 . 3 1 1 A 60 60 LEU H H 60 7.500 8.188 -0.688 1
1 171 . 3 1 1 A 60 60 LEU HA H 60 4.180 4.038 0.142 1
1 181 . 3 1 1 A 60 60 LEU C C 60 175.700 178.993 -3.293 1
1 182 . 3 1 1 A 60 60 LEU CA C 60 52.000 57.836 -5.836 1
1 183 . 3 1 1 A 60 60 LEU CB C 60 39.000 41.837 -2.837 1
1 187 . 3 1 1 A 60 60 LEU N N 60 117.700 122.031 -4.331 1
1 188 . 3 1 1 A 61 61 GLY H H 61 7.880 8.127 -0.247 1
1 189 . 3 1 1 A 61 61 GLY HA2 H 61 3.830 3.805 0.025 1
1 190 . 3 1 1 A 61 61 GLY HA3 H 61 3.680 3.890 -0.210 1
1 191 . 3 1 1 A 61 61 GLY C C 61 172.700 175.994 -3.294 1
1 192 . 3 1 1 A 61 61 GLY CA C 61 44.700 47.113 -2.413 1
1 193 . 3 1 1 A 61 61 GLY N N 61 105.700 106.710 -1.010 1
1 194 . 3 1 1 A 62 62 GLY H H 62 8.580 8.252 0.328 1
1 195 . 3 1 1 A 62 62 GLY HA2 H 62 3.810 3.769 0.041 1
1 196 . 3 1 1 A 62 62 GLY HA3 H 62 3.680 3.769 -0.089 1
1 197 . 3 1 1 A 62 62 GLY C C 62 174.000 175.990 -1.990 1
1 198 . 3 1 1 A 62 62 GLY CA C 62 42.800 47.045 -4.245 1
1 199 . 3 1 1 A 62 62 GLY N N 62 108.500 109.890 -1.390 1
1 200 . 3 1 1 A 63 63 MET H H 63 7.460 7.742 -0.282 1
1 201 . 3 1 1 A 63 63 MET HA H 63 3.870 3.843 0.027 1
1 206 . 3 1 1 A 63 63 MET C C 63 174.600 176.649 -2.049 1
1 207 . 3 1 1 A 63 63 MET CA C 63 54.400 56.916 -2.516 1
1 208 . 3 1 1 A 63 63 MET CB C 63 27.600 30.771 -3.171 1
1 210 . 3 1 1 A 63 63 MET N N 63 118.500 119.792 -1.292 1
1 211 . 3 1 1 A 64 64 ALA H H 64 8.080 7.449 0.631 1
1 212 . 3 1 1 A 64 64 ALA HA H 64 4.220 4.375 -0.155 1
1 216 . 3 1 1 A 64 64 ALA C C 64 173.800 176.933 -3.133 1
1 217 . 3 1 1 A 64 64 ALA CA C 64 50.400 51.584 -1.184 1
1 218 . 3 1 1 A 64 64 ALA CB C 64 16.500 19.438 -2.938 1
1 219 . 3 1 1 A 64 64 ALA N N 64 117.500 120.336 -2.836 1
1 220 . 3 1 1 A 65 65 SER H H 65 7.460 7.696 -0.236 1
1 221 . 3 1 1 A 65 65 SER HA H 65 4.570 4.524 0.046 1
1 224 . 3 1 1 A 65 65 SER C C 65 171.500 174.594 -3.094 1
1 225 . 3 1 1 A 65 65 SER CA C 65 54.800 57.117 -2.317 1
1 226 . 3 1 1 A 65 65 SER CB C 65 61.800 65.499 -3.699 1
1 227 . 3 1 1 A 65 65 SER N N 65 111.200 114.785 -3.585 1
1 228 . 3 1 1 A 66 66 GLY H H 66 7.480 8.496 -1.016 1
1 229 . 3 1 1 A 66 66 GLY HA2 H 66 3.980 3.888 0.092 1
1 230 . 3 1 1 A 66 66 GLY HA3 H 66 4.030 3.961 0.069 1
1 231 . 3 1 1 A 66 66 GLY C C 66 170.600 174.425 -3.825 1
1 232 . 3 1 1 A 66 66 GLY CA C 66 42.000 44.726 -2.726 1
1 233 . 3 1 1 A 66 66 GLY N N 66 108.800 110.366 -1.566 1
1 234 . 3 1 1 A 67 67 PRO HA H 67 4.210 4.181 0.029 1
1 241 . 3 1 1 A 67 67 PRO CA C 67 62.000 65.679 -3.679 1
1 242 . 3 1 1 A 67 67 PRO CB C 67 28.900 30.814 -1.914 1
1 245 . 3 1 1 A 68 68 CYS H H 68 7.700 8.054 -0.354 1
1 246 . 3 1 1 A 68 68 CYS HA H 68 5.450 4.471 0.979 1
1 249 . 3 1 1 A 68 68 CYS C C 68 173.500 175.766 -2.266 1
1 250 . 3 1 1 A 68 68 CYS CA C 68 49.500 58.297 -8.797 1
1 251 . 3 1 1 A 68 68 CYS CB C 68 36.200 41.730 -5.530 1
1 252 . 3 1 1 A 68 68 CYS N N 68 115.300 114.948 0.352 1
1 253 . 3 1 1 A 69 69 GLY H H 69 7.840 8.308 -0.468 1
1 254 . 3 1 1 A 69 69 GLY HA2 H 69 3.950 3.726 0.224 1
1 255 . 3 1 1 A 69 69 GLY HA3 H 69 3.550 3.758 -0.208 1
1 256 . 3 1 1 A 69 69 GLY C C 69 173.300 176.009 -2.709 1
1 257 . 3 1 1 A 69 69 GLY CA C 69 45.200 47.273 -2.073 1
1 258 . 3 1 1 A 69 69 GLY N N 69 110.200 109.370 0.830 1
1 259 . 3 1 1 A 70 70 GLU H H 70 8.650 8.694 -0.044 1
1 260 . 3 1 1 A 70 70 GLU HA H 70 3.760 3.911 -0.151 1
1 265 . 3 1 1 A 70 70 GLU C C 70 176.800 178.494 -1.694 1
1 266 . 3 1 1 A 70 70 GLU CA C 70 56.300 58.925 -2.625 1
1 267 . 3 1 1 A 70 70 GLU CB C 70 26.000 28.411 -2.411 1
1 269 . 3 1 1 A 70 70 GLU N N 70 120.000 121.127 -1.127 1
1 270 . 3 1 1 A 71 71 GLN H H 71 8.860 7.779 1.081 1
1 271 . 3 1 1 A 71 71 GLN HA H 71 3.850 4.039 -0.189 1
1 278 . 3 1 1 A 71 71 GLN C C 71 177.400 178.446 -1.046 1
1 279 . 3 1 1 A 71 71 GLN CA C 71 57.200 58.580 -1.380 1
1 280 . 3 1 1 A 71 71 GLN CB C 71 24.400 28.554 -4.154 1
1 282 . 3 1 1 A 71 71 GLN N N 71 120.800 119.093 1.707 1
1 284 . 3 1 1 A 72 72 PHE H H 72 8.890 8.052 0.838 1
1 285 . 3 1 1 A 72 72 PHE HA H 72 4.200 4.173 0.027 1
1 291 . 3 1 1 A 72 72 PHE C C 72 173.500 177.655 -4.155 1
1 292 . 3 1 1 A 72 72 PHE CA C 72 59.000 61.424 -2.424 1
1 293 . 3 1 1 A 72 72 PHE CB C 72 36.000 39.142 -3.142 1
1 294 . 3 1 1 A 72 72 PHE N N 72 123.400 120.582 2.818 1
1 295 . 3 1 1 A 73 73 LYS H H 73 8.480 8.283 0.197 1
1 296 . 3 1 1 A 73 73 LYS HA H 73 3.430 3.765 -0.335 1
1 304 . 3 1 1 A 73 73 LYS C C 73 177.600 179.238 -1.638 1
1 305 . 3 1 1 A 73 73 LYS CA C 73 56.700 59.470 -2.770 1
1 306 . 3 1 1 A 73 73 LYS CB C 73 29.600 31.974 -2.374 1
1 310 . 3 1 1 A 73 73 LYS N N 73 119.900 118.222 1.678 1
1 311 . 3 1 1 A 74 74 SER H H 74 7.780 8.140 -0.360 1
1 312 . 3 1 1 A 74 74 SER HA H 74 4.120 4.149 -0.029 1
1 315 . 3 1 1 A 74 74 SER C C 74 174.300 177.137 -2.837 1
1 316 . 3 1 1 A 74 74 SER CA C 74 58.700 61.510 -2.810 1
1 317 . 3 1 1 A 74 74 SER CB C 74 59.900 62.747 -2.847 1
1 318 . 3 1 1 A 74 74 SER N N 74 114.200 114.371 -0.171 1
1 319 . 3 1 1 A 75 75 ALA H H 75 7.870 7.899 -0.029 1
1 320 . 3 1 1 A 75 75 ALA HA H 75 3.840 3.828 0.012 1
1 324 . 3 1 1 A 75 75 ALA C C 75 175.100 179.609 -4.509 1
1 325 . 3 1 1 A 75 75 ALA CA C 75 53.200 54.591 -1.391 1
1 326 . 3 1 1 A 75 75 ALA CB C 75 15.500 17.567 -2.067 1
1 327 . 3 1 1 A 75 75 ALA N N 75 123.100 123.046 0.054 1
1 328 . 3 1 1 A 76 76 PHE H H 76 9.450 8.186 1.264 1
1 329 . 3 1 1 A 76 76 PHE HA H 76 3.700 4.235 -0.535 1
1 334 . 3 1 1 A 76 76 PHE C C 76 174.600 177.962 -3.362 1
1 335 . 3 1 1 A 76 76 PHE CA C 76 59.600 61.730 -2.130 1
1 336 . 3 1 1 A 76 76 PHE CB C 76 35.800 38.833 -3.033 1
1 337 . 3 1 1 A 76 76 PHE N N 76 118.800 118.569 0.231 1
1 338 . 3 1 1 A 77 77 SER H H 77 8.550 8.666 -0.116 1
1 339 . 3 1 1 A 77 77 SER HA H 77 4.130 4.255 -0.125 1
1 341 . 3 1 1 A 77 77 SER C C 77 172.200 177.523 -5.323 1
1 342 . 3 1 1 A 77 77 SER CA C 77 60.100 62.069 -1.969 1
1 343 . 3 1 1 A 77 77 SER CB C 77 59.800 62.750 -2.950 1
1 344 . 3 1 1 A 77 77 SER N N 77 113.200 113.576 -0.376 1
1 345 . 3 1 1 A 78 78 CYS H H 78 7.430 8.155 -0.725 1
1 346 . 3 1 1 A 78 78 CYS HA H 78 4.080 4.268 -0.188 1
1 349 . 3 1 1 A 78 78 CYS C C 78 174.000 175.998 -1.998 1
1 350 . 3 1 1 A 78 78 CYS CA C 78 57.900 60.135 -2.235 1
1 351 . 3 1 1 A 78 78 CYS CB C 78 36.400 41.438 -5.038 1
1 352 . 3 1 1 A 78 78 CYS N N 78 118.900 119.988 -1.088 1
1 353 . 3 1 1 A 79 79 PHE H H 79 8.270 8.185 0.085 1
1 354 . 3 1 1 A 79 79 PHE HA H 79 3.740 4.183 -0.443 1
1 359 . 3 1 1 A 79 79 PHE C C 79 173.600 177.471 -3.871 1
1 360 . 3 1 1 A 79 79 PHE CA C 79 59.200 61.701 -2.501 1
1 361 . 3 1 1 A 79 79 PHE CB C 79 37.000 38.861 -1.861 1
1 362 . 3 1 1 A 79 79 PHE N N 79 120.400 122.200 -1.800 1
1 363 . 3 1 1 A 80 80 HIS H H 80 8.840 8.239 0.601 1
1 364 . 3 1 1 A 80 80 HIS HA H 80 3.460 4.179 -0.719 1
1 368 . 3 1 1 A 80 80 HIS C C 80 175.700 176.730 -1.030 1
1 369 . 3 1 1 A 80 80 HIS CA C 80 57.000 58.681 -1.681 1
1 370 . 3 1 1 A 80 80 HIS CB C 80 28.300 29.654 -1.354 1
1 371 . 3 1 1 A 80 80 HIS N N 80 118.400 116.391 2.009 1
1 372 . 3 1 1 A 81 81 TYR H H 81 7.710 8.135 -0.425 1
1 373 . 3 1 1 A 81 81 TYR HA H 81 4.080 4.295 -0.215 1
1 378 . 3 1 1 A 81 81 TYR C C 81 172.400 178.237 -5.837 1
1 379 . 3 1 1 A 81 81 TYR CA C 81 56.100 60.921 -4.821 1
1 380 . 3 1 1 A 81 81 TYR CB C 81 34.800 39.234 -4.434 1
1 381 . 3 1 1 A 81 81 TYR N N 81 113.400 118.037 -4.637 1
1 382 . 3 1 1 A 82 82 SER H H 82 7.070 8.099 -1.029 1
1 383 . 3 1 1 A 82 82 SER HA H 82 4.410 4.188 0.222 1
1 386 . 3 1 1 A 82 82 SER C C 82 174.500 174.276 0.224 1
1 387 . 3 1 1 A 82 82 SER CA C 82 56.300 61.630 -5.330 1
1 388 . 3 1 1 A 82 82 SER CB C 82 59.200 63.030 -3.830 1
1 389 . 3 1 1 A 82 82 SER N N 82 115.600 116.222 -0.622 1
1 390 . 3 1 1 A 83 83 THR H H 83 9.290 7.739 1.551 1
1 391 . 3 1 1 A 83 83 THR HA H 83 4.400 3.688 0.712 1
1 396 . 3 1 1 A 83 83 THR C C 83 172.200 173.405 -1.205 1
1 397 . 3 1 1 A 83 83 THR CA C 83 57.500 62.914 -5.414 1
1 398 . 3 1 1 A 83 83 THR CB C 83 65.800 66.254 -0.454 1
1 400 . 3 1 1 A 83 83 THR N N 83 120.400 113.924 6.476 1
1 401 . 3 1 1 A 84 84 GLU H H 84 7.170 7.603 -0.433 1
1 402 . 3 1 1 A 84 84 GLU HA H 84 3.860 4.669 -0.809 1
1 406 . 3 1 1 A 84 84 GLU C C 84 173.300 176.665 -3.365 1
1 407 . 3 1 1 A 84 84 GLU CA C 84 53.100 55.555 -2.455 1
1 408 . 3 1 1 A 84 84 GLU CB C 84 28.400 30.879 -2.479 1
1 410 . 3 1 1 A 84 84 GLU N N 84 121.600 120.788 0.812 1
1 411 . 3 1 1 A 85 85 GLU H H 85 8.390 8.742 -0.352 1
1 412 . 3 1 1 A 85 85 GLU HA H 85 3.730 4.628 -0.898 1
1 417 . 3 1 1 A 85 85 GLU C C 85 175.500 175.326 0.174 1
1 418 . 3 1 1 A 85 85 GLU CA C 85 56.700 56.917 -0.217 1
1 419 . 3 1 1 A 85 85 GLU CB C 85 26.900 32.546 -5.646 1
1 421 . 3 1 1 A 85 85 GLU N N 85 121.800 123.632 -1.832 1
1 422 . 3 1 1 A 86 86 ILE H H 86 8.060 7.863 0.197 1
1 423 . 3 1 1 A 86 86 ILE HA H 86 4.060 4.415 -0.355 1
1 433 . 3 1 1 A 86 86 ILE C C 86 172.400 175.766 -3.366 1
1 434 . 3 1 1 A 86 86 ILE CA C 86 56.800 59.715 -2.915 1
1 435 . 3 1 1 A 86 86 ILE CB C 86 32.700 40.483 -7.783 1
1 439 . 3 1 1 A 86 86 ILE N N 86 117.800 120.255 -2.455 1
1 440 . 3 1 1 A 87 87 LYS H H 87 8.200 8.380 -0.180 1
1 441 . 3 1 1 A 87 87 LYS HA H 87 3.470 2.970 0.500 1
1 450 . 3 1 1 A 87 87 LYS C C 87 175.200 176.830 -1.630 1
1 451 . 3 1 1 A 87 87 LYS CA C 87 56.800 57.808 -1.008 1
1 452 . 3 1 1 A 87 87 LYS CB C 87 30.300 31.555 -1.255 1
1 456 . 3 1 1 A 87 87 LYS N N 87 130.300 125.788 4.512 1
1 457 . 3 1 1 A 88 88 GLY H H 88 8.820 8.706 0.114 1
1 458 . 3 1 1 A 88 88 GLY HA2 H 88 4.440 3.247 1.193 1
1 459 . 3 1 1 A 88 88 GLY HA3 H 88 3.560 4.019 -0.459 1
1 460 . 3 1 1 A 88 88 GLY C C 88 172.800 175.222 -2.422 1
1 461 . 3 1 1 A 88 88 GLY CA C 88 42.800 45.901 -3.101 1
1 462 . 3 1 1 A 88 88 GLY N N 88 110.400 114.608 -4.208 1
1 463 . 3 1 1 A 89 89 SER H H 89 8.570 7.878 0.692 1
1 464 . 3 1 1 A 89 89 SER HA H 89 4.040 4.156 -0.116 1
1 467 . 3 1 1 A 89 89 SER C C 89 171.300 175.140 -3.840 1
1 468 . 3 1 1 A 89 89 SER CA C 89 58.200 61.520 -3.320 1
1 469 . 3 1 1 A 89 89 SER CB C 89 59.200 62.851 -3.651 1
1 470 . 3 1 1 A 89 89 SER N N 89 118.000 115.605 2.395 1
1 471 . 3 1 1 A 90 90 ASP H H 90 10.480 8.268 2.212 1
1 472 . 3 1 1 A 90 90 ASP HA H 90 4.580 4.621 -0.041 1
1 475 . 3 1 1 A 90 90 ASP C C 90 173.500 177.681 -4.181 1
1 476 . 3 1 1 A 90 90 ASP CA C 90 50.500 55.547 -5.047 1
1 477 . 3 1 1 A 90 90 ASP CB C 90 34.900 41.397 -6.497 1
1 478 . 3 1 1 A 90 90 ASP N N 90 116.400 117.190 -0.790 1
1 479 . 3 1 1 A 91 91 CYS H H 91 7.420 8.221 -0.801 1
1 480 . 3 1 1 A 91 91 CYS HA H 91 5.180 4.792 0.388 1
1 483 . 3 1 1 A 91 91 CYS C C 91 172.800 175.235 -2.435 1
1 484 . 3 1 1 A 91 91 CYS CA C 91 50.600 55.945 -5.345 1
1 485 . 3 1 1 A 91 91 CYS CB C 91 38.000 41.632 -3.632 1
1 486 . 3 1 1 A 91 91 CYS N N 91 117.300 116.884 0.416 1
1 487 . 3 1 1 A 92 92 VAL H H 92 7.320 7.179 0.141 1
1 488 . 3 1 1 A 92 92 VAL HA H 92 3.470 3.627 -0.157 1
1 496 . 3 1 1 A 92 92 VAL C C 92 175.700 178.056 -2.356 1
1 497 . 3 1 1 A 92 92 VAL CA C 92 64.000 66.763 -2.763 1
1 498 . 3 1 1 A 92 92 VAL CB C 92 29.300 31.665 -2.365 1
1 501 . 3 1 1 A 92 92 VAL N N 92 120.500 123.021 -2.521 1
1 502 . 3 1 1 A 93 93 ASP H H 93 8.870 8.793 0.077 1
1 503 . 3 1 1 A 93 93 ASP HA H 93 4.280 4.256 0.024 1
1 505 . 3 1 1 A 93 93 ASP C C 93 176.500 177.703 -1.203 1
1 506 . 3 1 1 A 93 93 ASP CA C 93 55.100 57.029 -1.929 1
1 507 . 3 1 1 A 93 93 ASP CB C 93 36.800 39.573 -2.773 1
1 508 . 3 1 1 A 93 93 ASP N N 93 120.500 118.820 1.680 1
1 509 . 3 1 1 A 94 94 GLN H H 94 9.140 7.786 1.354 1
1 510 . 3 1 1 A 94 94 GLN HA H 94 3.920 4.116 -0.196 1
1 517 . 3 1 1 A 94 94 GLN C C 94 178.100 178.939 -0.839 1
1 518 . 3 1 1 A 94 94 GLN CA C 94 57.100 58.728 -1.628 1
1 519 . 3 1 1 A 94 94 GLN CB C 94 24.500 28.517 -4.017 1
1 521 . 3 1 1 A 94 94 GLN N N 94 121.800 118.207 3.593 1
1 523 . 3 1 1 A 95 95 PHE H H 95 8.920 8.323 0.597 1
1 524 . 3 1 1 A 95 95 PHE HA H 95 4.130 4.267 -0.137 1
1 529 . 3 1 1 A 95 95 PHE C C 95 175.100 178.305 -3.205 1
1 530 . 3 1 1 A 95 95 PHE CA C 95 57.500 60.920 -3.420 1
1 531 . 3 1 1 A 95 95 PHE CB C 95 34.500 38.225 -3.725 1
1 532 . 3 1 1 A 95 95 PHE N N 95 122.500 119.570 2.930 1
1 533 . 3 1 1 A 96 96 ARG H H 96 8.500 8.707 -0.207 1
1 534 . 3 1 1 A 96 96 ARG HA H 96 4.040 3.950 0.090 1
1 540 . 3 1 1 A 96 96 ARG C C 96 175.700 178.260 -2.560 1
1 541 . 3 1 1 A 96 96 ARG CA C 96 56.800 59.862 -3.062 1
1 542 . 3 1 1 A 96 96 ARG CB C 96 26.800 29.940 -3.140 1
1 545 . 3 1 1 A 96 96 ARG N N 96 121.600 121.140 0.460 1
1 546 . 3 1 1 A 97 97 ALA H H 97 7.960 8.441 -0.481 1
1 547 . 3 1 1 A 97 97 ALA HA H 97 4.110 4.112 -0.002 1
1 551 . 3 1 1 A 97 97 ALA C C 97 178.600 179.704 -1.104 1
1 552 . 3 1 1 A 97 97 ALA CA C 97 52.100 55.292 -3.192 1
1 553 . 3 1 1 A 97 97 ALA CB C 97 15.200 18.000 -2.800 1
1 554 . 3 1 1 A 97 97 ALA N N 97 120.300 120.967 -0.667 1
1 555 . 3 1 1 A 98 98 MET H H 98 7.600 8.612 -1.012 1
1 556 . 3 1 1 A 98 98 MET HA H 98 3.830 4.136 -0.306 1
1 559 . 3 1 1 A 98 98 MET C C 98 173.900 178.095 -4.195 1
1 560 . 3 1 1 A 98 98 MET CA C 98 56.400 57.976 -1.576 1
1 561 . 3 1 1 A 98 98 MET CB C 98 30.100 32.547 -2.447 1
1 563 . 3 1 1 A 98 98 MET N N 98 118.400 116.444 1.956 1
1 564 . 3 1 1 A 99 99 GLN H H 99 8.410 7.730 0.680 1
1 565 . 3 1 1 A 99 99 GLN HA H 99 3.800 4.059 -0.259 1
1 569 . 3 1 1 A 99 99 GLN C C 99 173.400 178.386 -4.986 1
1 570 . 3 1 1 A 99 99 GLN CA C 99 56.800 59.341 -2.541 1
1 571 . 3 1 1 A 99 99 GLN CB C 99 25.900 28.767 -2.867 1
1 573 . 3 1 1 A 99 99 GLN N N 99 120.800 119.771 1.029 1
1 574 . 3 1 1 A 100 100 GLU H H 100 8.510 8.635 -0.125 1
1 575 . 3 1 1 A 100 100 GLU HA H 100 3.820 3.917 -0.097 1
1 580 . 3 1 1 A 100 100 GLU C C 100 175.900 178.363 -2.463 1
1 581 . 3 1 1 A 100 100 GLU CA C 100 56.500 59.683 -3.183 1
1 582 . 3 1 1 A 100 100 GLU CB C 100 26.900 29.030 -2.130 1
1 584 . 3 1 1 A 100 100 GLU N N 100 117.600 117.702 -0.102 1
1 585 . 3 1 1 A 101 101 CYS H H 101 7.310 8.034 -0.724 1
1 586 . 3 1 1 A 101 101 CYS HA H 101 4.230 4.105 0.125 1
1 589 . 3 1 1 A 101 101 CYS C C 101 173.800 176.539 -2.739 1
1 590 . 3 1 1 A 101 101 CYS CA C 101 57.800 59.450 -1.650 1
1 591 . 3 1 1 A 101 101 CYS CB C 101 36.500 41.875 -5.375 1
1 592 . 3 1 1 A 101 101 CYS N N 101 117.800 118.069 -0.269 1
1 593 . 3 1 1 A 102 102 MET H H 102 8.400 8.212 0.188 1
1 594 . 3 1 1 A 102 102 MET HA H 102 3.820 4.565 -0.745 1
1 599 . 3 1 1 A 102 102 MET C C 102 177.100 177.914 -0.814 1
1 600 . 3 1 1 A 102 102 MET CA C 102 57.100 57.211 -0.111 1
1 601 . 3 1 1 A 102 102 MET CB C 102 30.200 31.338 -1.138 1
1 603 . 3 1 1 A 102 102 MET N N 102 119.100 119.744 -0.644 1
1 604 . 3 1 1 A 103 103 GLN H H 103 7.850 8.414 -0.564 1
1 605 . 3 1 1 A 103 103 GLN HA H 103 3.960 4.039 -0.079 1
1 612 . 3 1 1 A 103 103 GLN C C 103 174.000 177.290 -3.290 1
1 613 . 3 1 1 A 103 103 GLN CA C 103 55.000 57.992 -2.992 1
1 614 . 3 1 1 A 103 103 GLN CB C 103 25.900 27.292 -1.392 1
1 616 . 3 1 1 A 103 103 GLN N N 103 117.200 118.588 -1.388 1
1 618 . 3 1 1 A 104 104 LYS H H 104 7.470 7.347 0.123 1
1 619 . 3 1 1 A 104 104 LYS HA H 104 3.880 4.174 -0.294 1
1 626 . 3 1 1 A 104 104 LYS C C 104 173.200 176.295 -3.095 1
1 627 . 3 1 1 A 104 104 LYS CA C 104 54.600 57.492 -2.892 1
1 628 . 3 1 1 A 104 104 LYS CB C 104 29.600 33.414 -3.814 1
1 632 . 3 1 1 A 104 104 LYS N N 104 116.700 117.380 -0.680 1
1 633 . 3 1 1 A 105 105 TYR H H 105 7.390 7.587 -0.197 1
1 634 . 3 1 1 A 105 105 TYR HA H 105 5.040 5.119 -0.079 1
1 639 . 3 1 1 A 105 105 TYR C C 105 170.800 174.706 -3.906 1
1 640 . 3 1 1 A 105 105 TYR CA C 105 52.300 55.057 -2.757 1
1 641 . 3 1 1 A 105 105 TYR CB C 105 36.700 38.468 -1.768 1
1 642 . 3 1 1 A 105 105 TYR N N 105 115.700 117.770 -2.070 1
1 643 . 3 1 1 A 106 106 PRO HA H 106 4.470 4.588 -0.118 1
1 650 . 3 1 1 A 106 106 PRO CA C 106 61.800 64.738 -2.938 1
1 651 . 3 1 1 A 106 106 PRO CB C 106 29.000 32.140 -3.140 1
1 654 . 3 1 1 A 107 107 ASP H H 107 8.750 7.819 0.931 1
1 655 . 3 1 1 A 107 107 ASP HA H 107 4.310 4.330 -0.020 1
1 658 . 3 1 1 A 107 107 ASP C C 107 174.000 175.129 -1.129 1
1 659 . 3 1 1 A 107 107 ASP CA C 107 52.200 52.861 -0.661 1
1 660 . 3 1 1 A 107 107 ASP CB C 107 36.800 41.908 -5.108 1
1 661 . 3 1 1 A 107 107 ASP N N 107 114.800 116.215 -1.415 1
1 662 . 3 1 1 A 108 108 LEU H H 108 7.270 7.384 -0.114 1
1 663 . 3 1 1 A 108 108 LEU HA H 108 4.030 4.011 0.019 1
1 673 . 3 1 1 A 108 108 LEU C C 108 173.800 176.955 -3.155 1
1 674 . 3 1 1 A 108 108 LEU CA C 108 52.500 55.886 -3.386 1
1 675 . 3 1 1 A 108 108 LEU CB C 108 40.000 41.258 -1.258 1
1 679 . 3 1 1 A 108 108 LEU N N 108 118.900 119.335 -0.435 1
1 7 . 4 1 1 A 46 46 LEU HA H 46 3.970 4.523 -0.553 1
1 17 . 4 1 1 A 46 46 LEU CA C 46 55.000 55.194 -0.194 1
1 18 . 4 1 1 A 46 46 LEU CB C 46 40.300 44.410 -4.110 1
1 22 . 4 1 1 A 47 47 ILE H H 47 7.570 7.955 -0.385 1
1 23 . 4 1 1 A 47 47 ILE HA H 47 4.270 4.349 -0.079 1
1 33 . 4 1 1 A 47 47 ILE C C 47 174.500 174.946 -0.446 1
1 34 . 4 1 1 A 47 47 ILE CA C 47 54.600 59.959 -5.359 1
1 35 . 4 1 1 A 47 47 ILE CB C 47 34.500 39.319 -4.819 1
1 39 . 4 1 1 A 47 47 ILE N N 47 115.000 121.396 -6.396 1
1 40 . 4 1 1 A 48 48 LEU H H 48 8.760 9.105 -0.345 1
1 41 . 4 1 1 A 48 48 LEU HA H 48 4.260 4.479 -0.219 1
1 51 . 4 1 1 A 48 48 LEU C C 48 174.400 176.681 -2.281 1
1 52 . 4 1 1 A 48 48 LEU CA C 48 51.200 52.810 -1.610 1
1 53 . 4 1 1 A 48 48 LEU CB C 48 37.800 41.456 -3.656 1
1 57 . 4 1 1 A 48 48 LEU N N 48 127.400 127.081 0.319 1
1 58 . 4 1 1 A 49 49 PRO HA H 49 4.170 4.512 -0.342 1
1 63 . 4 1 1 A 49 49 PRO CA C 49 62.500 64.291 -1.791 1
1 64 . 4 1 1 A 49 49 PRO CB C 49 28.900 31.648 -2.748 1
1 67 . 4 1 1 A 50 50 ASN H H 50 7.180 7.838 -0.658 1
1 68 . 4 1 1 A 50 50 ASN HA H 50 4.420 4.613 -0.193 1
1 73 . 4 1 1 A 50 50 ASN C C 50 173.700 175.931 -2.231 1
1 74 . 4 1 1 A 50 50 ASN CA C 50 49.500 52.508 -3.008 1
1 75 . 4 1 1 A 50 50 ASN CB C 50 34.400 38.608 -4.208 1
1 76 . 4 1 1 A 50 50 ASN N N 50 111.000 113.384 -2.384 1
1 78 . 4 1 1 A 51 51 GLY H H 51 8.370 8.283 0.087 1
1 79 . 4 1 1 A 51 51 GLY HA2 H 51 4.220 3.960 0.260 1
1 80 . 4 1 1 A 51 51 GLY HA3 H 51 3.400 3.994 -0.594 1
1 81 . 4 1 1 A 51 51 GLY C C 51 171.500 174.331 -2.831 1
1 82 . 4 1 1 A 51 51 GLY CA C 51 42.200 45.091 -2.891 1
1 83 . 4 1 1 A 51 51 GLY N N 51 108.400 108.861 -0.461 1
1 84 . 4 1 1 A 52 52 ASN H H 52 7.810 8.180 -0.370 1
1 85 . 4 1 1 A 52 52 ASN HA H 52 4.670 5.062 -0.392 1
1 90 . 4 1 1 A 52 52 ASN C C 52 170.900 174.793 -3.893 1
1 91 . 4 1 1 A 52 52 ASN CA C 52 49.400 52.631 -3.231 1
1 92 . 4 1 1 A 52 52 ASN CB C 52 36.100 40.169 -4.069 1
1 93 . 4 1 1 A 52 52 ASN N N 52 119.100 119.779 -0.679 1
1 95 . 4 1 1 A 53 53 ILE H H 53 8.070 8.278 -0.208 1
1 96 . 4 1 1 A 53 53 ILE HA H 53 3.470 4.240 -0.770 1
1 106 . 4 1 1 A 53 53 ILE C C 53 172.300 174.868 -2.568 1
1 107 . 4 1 1 A 53 53 ILE CA C 53 59.100 59.573 -0.473 1
1 108 . 4 1 1 A 53 53 ILE CB C 53 36.000 38.292 -2.292 1
1 112 . 4 1 1 A 53 53 ILE N N 53 120.100 123.373 -3.273 1
1 113 . 4 1 1 A 54 54 ASN H H 54 8.700 8.672 0.028 1
1 114 . 4 1 1 A 54 54 ASN HA H 54 4.350 4.661 -0.311 1
1 119 . 4 1 1 A 54 54 ASN C C 54 172.300 175.580 -3.280 1
1 120 . 4 1 1 A 54 54 ASN CA C 54 47.500 51.734 -4.234 1
1 121 . 4 1 1 A 54 54 ASN CB C 54 34.200 36.985 -2.785 1
1 122 . 4 1 1 A 54 54 ASN N N 54 123.200 123.983 -0.783 1
1 124 . 4 1 1 A 55 55 TRP H H 55 7.520 7.669 -0.149 1
1 125 . 4 1 1 A 55 55 TRP HA H 55 4.300 4.539 -0.239 1
1 134 . 4 1 1 A 55 55 TRP C C 55 172.100 177.273 -5.173 1
1 135 . 4 1 1 A 55 55 TRP CA C 55 55.200 59.126 -3.926 1
1 136 . 4 1 1 A 55 55 TRP CB C 55 26.400 28.605 -2.205 1
1 137 . 4 1 1 A 55 55 TRP N N 55 124.600 124.917 -0.317 1
1 138 . 4 1 1 A 56 56 ASN H H 56 7.380 8.039 -0.659 1
1 139 . 4 1 1 A 56 56 ASN HA H 56 4.720 4.939 -0.219 1
1 144 . 4 1 1 A 56 56 ASN C C 56 172.100 174.931 -2.831 1
1 145 . 4 1 1 A 56 56 ASN CA C 56 49.500 53.239 -3.739 1
1 146 . 4 1 1 A 56 56 ASN CB C 56 36.200 39.065 -2.865 1
1 147 . 4 1 1 A 56 56 ASN N N 56 112.500 114.747 -2.247 1
1 149 . 4 1 1 A 57 57 CYS H H 57 7.460 7.378 0.082 1
1 150 . 4 1 1 A 57 57 CYS HA H 57 4.280 4.509 -0.229 1
1 153 . 4 1 1 A 57 57 CYS C C 57 173.000 174.676 -1.676 1
1 154 . 4 1 1 A 57 57 CYS CA C 57 54.900 58.749 -3.849 1
1 155 . 4 1 1 A 57 57 CYS CB C 57 25.000 26.724 -1.724 1
1 156 . 4 1 1 A 57 57 CYS N N 57 123.000 119.732 3.268 1
1 157 . 4 1 1 A 58 58 PRO HA H 58 4.200 4.336 -0.136 1
1 162 . 4 1 1 A 58 58 PRO CA C 58 62.700 65.795 -3.095 1
1 163 . 4 1 1 A 58 58 PRO CB C 58 29.300 31.579 -2.279 1
1 166 . 4 1 1 A 59 59 CYS HA H 59 4.390 4.199 0.191 1
1 168 . 4 1 1 A 59 59 CYS CA C 59 57.000 62.275 -5.275 1
1 169 . 4 1 1 A 59 59 CYS CB C 59 24.400 27.742 -3.342 1
1 170 . 4 1 1 A 60 60 LEU H H 60 7.500 8.181 -0.681 1
1 171 . 4 1 1 A 60 60 LEU HA H 60 4.180 4.009 0.171 1
1 181 . 4 1 1 A 60 60 LEU C C 60 175.700 178.893 -3.193 1
1 182 . 4 1 1 A 60 60 LEU CA C 60 52.000 57.889 -5.889 1
1 183 . 4 1 1 A 60 60 LEU CB C 60 39.000 41.906 -2.906 1
1 187 . 4 1 1 A 60 60 LEU N N 60 117.700 122.527 -4.827 1
1 188 . 4 1 1 A 61 61 GLY H H 61 7.880 7.934 -0.054 1
1 189 . 4 1 1 A 61 61 GLY HA2 H 61 3.830 3.855 -0.025 1
1 190 . 4 1 1 A 61 61 GLY HA3 H 61 3.680 3.933 -0.253 1
1 191 . 4 1 1 A 61 61 GLY C C 61 172.700 175.937 -3.237 1
1 192 . 4 1 1 A 61 61 GLY CA C 61 44.700 47.144 -2.444 1
1 193 . 4 1 1 A 61 61 GLY N N 61 105.700 106.734 -1.034 1
1 194 . 4 1 1 A 62 62 GLY H H 62 8.580 8.136 0.444 1
1 195 . 4 1 1 A 62 62 GLY HA2 H 62 3.810 3.727 0.083 1
1 196 . 4 1 1 A 62 62 GLY HA3 H 62 3.680 3.728 -0.048 1
1 197 . 4 1 1 A 62 62 GLY C C 62 174.000 175.976 -1.976 1
1 198 . 4 1 1 A 62 62 GLY CA C 62 42.800 47.126 -4.326 1
1 199 . 4 1 1 A 62 62 GLY N N 62 108.500 109.873 -1.373 1
1 200 . 4 1 1 A 63 63 MET H H 63 7.460 7.933 -0.473 1
1 201 . 4 1 1 A 63 63 MET HA H 63 3.870 3.773 0.097 1
1 206 . 4 1 1 A 63 63 MET C C 63 174.600 176.762 -2.162 1
1 207 . 4 1 1 A 63 63 MET CA C 63 54.400 57.358 -2.958 1
1 208 . 4 1 1 A 63 63 MET CB C 63 27.600 30.657 -3.057 1
1 210 . 4 1 1 A 63 63 MET N N 63 118.500 119.798 -1.298 1
1 211 . 4 1 1 A 64 64 ALA H H 64 8.080 7.265 0.815 1
1 212 . 4 1 1 A 64 64 ALA HA H 64 4.220 4.204 0.016 1
1 216 . 4 1 1 A 64 64 ALA C C 64 173.800 176.672 -2.872 1
1 217 . 4 1 1 A 64 64 ALA CA C 64 50.400 51.887 -1.487 1
1 218 . 4 1 1 A 64 64 ALA CB C 64 16.500 19.066 -2.566 1
1 219 . 4 1 1 A 64 64 ALA N N 64 117.500 119.970 -2.470 1
1 220 . 4 1 1 A 65 65 SER H H 65 7.460 7.674 -0.214 1
1 221 . 4 1 1 A 65 65 SER HA H 65 4.570 4.584 -0.014 1
1 224 . 4 1 1 A 65 65 SER C C 65 171.500 173.902 -2.402 1
1 225 . 4 1 1 A 65 65 SER CA C 65 54.800 56.854 -2.054 1
1 226 . 4 1 1 A 65 65 SER CB C 65 61.800 65.981 -4.181 1
1 227 . 4 1 1 A 65 65 SER N N 65 111.200 115.161 -3.961 1
1 228 . 4 1 1 A 66 66 GLY H H 66 7.480 8.422 -0.942 1
1 229 . 4 1 1 A 66 66 GLY HA2 H 66 3.980 3.785 0.195 1
1 230 . 4 1 1 A 66 66 GLY HA3 H 66 4.030 3.998 0.032 1
1 231 . 4 1 1 A 66 66 GLY C C 66 170.600 173.844 -3.244 1
1 232 . 4 1 1 A 66 66 GLY CA C 66 42.000 44.471 -2.471 1
1 233 . 4 1 1 A 66 66 GLY N N 66 108.800 110.029 -1.229 1
1 234 . 4 1 1 A 67 67 PRO HA H 67 4.210 4.317 -0.107 1
1 241 . 4 1 1 A 67 67 PRO CA C 67 62.000 65.125 -3.125 1
1 242 . 4 1 1 A 67 67 PRO CB C 67 28.900 31.826 -2.926 1
1 245 . 4 1 1 A 68 68 CYS H H 68 7.700 7.848 -0.148 1
1 246 . 4 1 1 A 68 68 CYS HA H 68 5.450 4.442 1.008 1
1 249 . 4 1 1 A 68 68 CYS C C 68 173.500 175.591 -2.091 1
1 250 . 4 1 1 A 68 68 CYS CA C 68 49.500 58.316 -8.816 1
1 251 . 4 1 1 A 68 68 CYS CB C 68 36.200 41.891 -5.691 1
1 252 . 4 1 1 A 68 68 CYS N N 68 115.300 114.185 1.115 1
1 253 . 4 1 1 A 69 69 GLY H H 69 7.840 8.353 -0.513 1
1 254 . 4 1 1 A 69 69 GLY HA2 H 69 3.950 3.746 0.204 1
1 255 . 4 1 1 A 69 69 GLY HA3 H 69 3.550 3.776 -0.226 1
1 256 . 4 1 1 A 69 69 GLY C C 69 173.300 175.914 -2.614 1
1 257 . 4 1 1 A 69 69 GLY CA C 69 45.200 46.846 -1.646 1
1 258 . 4 1 1 A 69 69 GLY N N 69 110.200 109.505 0.695 1
1 259 . 4 1 1 A 70 70 GLU H H 70 8.650 8.869 -0.219 1
1 260 . 4 1 1 A 70 70 GLU HA H 70 3.760 3.945 -0.185 1
1 265 . 4 1 1 A 70 70 GLU C C 70 176.800 178.713 -1.913 1
1 266 . 4 1 1 A 70 70 GLU CA C 70 56.300 59.393 -3.093 1
1 267 . 4 1 1 A 70 70 GLU CB C 70 26.000 28.944 -2.944 1
1 269 . 4 1 1 A 70 70 GLU N N 70 120.000 119.535 0.465 1
1 270 . 4 1 1 A 71 71 GLN H H 71 8.860 7.923 0.937 1
1 271 . 4 1 1 A 71 71 GLN HA H 71 3.850 4.044 -0.194 1
1 278 . 4 1 1 A 71 71 GLN C C 71 177.400 178.398 -0.998 1
1 279 . 4 1 1 A 71 71 GLN CA C 71 57.200 58.624 -1.424 1
1 280 . 4 1 1 A 71 71 GLN CB C 71 24.400 28.403 -4.003 1
1 282 . 4 1 1 A 71 71 GLN N N 71 120.800 119.204 1.596 1
1 284 . 4 1 1 A 72 72 PHE H H 72 8.890 7.733 1.157 1
1 285 . 4 1 1 A 72 72 PHE HA H 72 4.200 4.007 0.193 1
1 291 . 4 1 1 A 72 72 PHE C C 72 173.500 177.648 -4.148 1
1 292 . 4 1 1 A 72 72 PHE CA C 72 59.000 61.321 -2.321 1
1 293 . 4 1 1 A 72 72 PHE CB C 72 36.000 39.264 -3.264 1
1 294 . 4 1 1 A 72 72 PHE N N 72 123.400 120.529 2.871 1
1 295 . 4 1 1 A 73 73 LYS H H 73 8.480 7.791 0.689 1
1 296 . 4 1 1 A 73 73 LYS HA H 73 3.430 3.664 -0.234 1
1 304 . 4 1 1 A 73 73 LYS C C 73 177.600 179.119 -1.519 1
1 305 . 4 1 1 A 73 73 LYS CA C 73 56.700 59.421 -2.721 1
1 306 . 4 1 1 A 73 73 LYS CB C 73 29.600 31.912 -2.312 1
1 310 . 4 1 1 A 73 73 LYS N N 73 119.900 118.327 1.573 1
1 311 . 4 1 1 A 74 74 SER H H 74 7.780 8.011 -0.231 1
1 312 . 4 1 1 A 74 74 SER HA H 74 4.120 4.177 -0.057 1
1 315 . 4 1 1 A 74 74 SER C C 74 174.300 177.307 -3.007 1
1 316 . 4 1 1 A 74 74 SER CA C 74 58.700 61.482 -2.782 1
1 317 . 4 1 1 A 74 74 SER CB C 74 59.900 62.726 -2.826 1
1 318 . 4 1 1 A 74 74 SER N N 74 114.200 114.589 -0.389 1
1 319 . 4 1 1 A 75 75 ALA H H 75 7.870 8.217 -0.347 1
1 320 . 4 1 1 A 75 75 ALA HA H 75 3.840 3.879 -0.039 1
1 324 . 4 1 1 A 75 75 ALA C C 75 175.100 180.144 -5.044 1
1 325 . 4 1 1 A 75 75 ALA CA C 75 53.200 54.723 -1.523 1
1 326 . 4 1 1 A 75 75 ALA CB C 75 15.500 18.239 -2.739 1
1 327 . 4 1 1 A 75 75 ALA N N 75 123.100 122.383 0.717 1
1 328 . 4 1 1 A 76 76 PHE H H 76 9.450 7.792 1.658 1
1 329 . 4 1 1 A 76 76 PHE HA H 76 3.700 4.421 -0.721 1
1 334 . 4 1 1 A 76 76 PHE C C 76 174.600 178.372 -3.772 1
1 335 . 4 1 1 A 76 76 PHE CA C 76 59.600 61.074 -1.474 1
1 336 . 4 1 1 A 76 76 PHE CB C 76 35.800 38.307 -2.507 1
1 337 . 4 1 1 A 76 76 PHE N N 76 118.800 116.127 2.673 1
1 338 . 4 1 1 A 77 77 SER H H 77 8.550 8.519 0.031 1
1 339 . 4 1 1 A 77 77 SER HA H 77 4.130 4.023 0.107 1
1 341 . 4 1 1 A 77 77 SER C C 77 172.200 177.426 -5.226 1
1 342 . 4 1 1 A 77 77 SER CA C 77 60.100 61.922 -1.822 1
1 343 . 4 1 1 A 77 77 SER CB C 77 59.800 62.793 -2.993 1
1 344 . 4 1 1 A 77 77 SER N N 77 113.200 114.449 -1.249 1
1 345 . 4 1 1 A 78 78 CYS H H 78 7.430 8.712 -1.282 1
1 346 . 4 1 1 A 78 78 CYS HA H 78 4.080 4.176 -0.096 1
1 349 . 4 1 1 A 78 78 CYS C C 78 174.000 176.217 -2.217 1
1 350 . 4 1 1 A 78 78 CYS CA C 78 57.900 60.342 -2.442 1
1 351 . 4 1 1 A 78 78 CYS CB C 78 36.400 41.243 -4.843 1
1 352 . 4 1 1 A 78 78 CYS N N 78 118.900 119.455 -0.555 1
1 353 . 4 1 1 A 79 79 PHE H H 79 8.270 8.409 -0.139 1
1 354 . 4 1 1 A 79 79 PHE HA H 79 3.740 4.287 -0.547 1
1 359 . 4 1 1 A 79 79 PHE C C 79 173.600 177.639 -4.039 1
1 360 . 4 1 1 A 79 79 PHE CA C 79 59.200 61.725 -2.525 1
1 361 . 4 1 1 A 79 79 PHE CB C 79 37.000 39.036 -2.036 1
1 362 . 4 1 1 A 79 79 PHE N N 79 120.400 121.996 -1.596 1
1 363 . 4 1 1 A 80 80 HIS H H 80 8.840 8.387 0.453 1
1 364 . 4 1 1 A 80 80 HIS HA H 80 3.460 3.917 -0.457 1
1 368 . 4 1 1 A 80 80 HIS C C 80 175.700 176.634 -0.934 1
1 369 . 4 1 1 A 80 80 HIS CA C 80 57.000 59.450 -2.450 1
1 370 . 4 1 1 A 80 80 HIS CB C 80 28.300 29.813 -1.513 1
1 371 . 4 1 1 A 80 80 HIS N N 80 118.400 118.493 -0.093 1
1 372 . 4 1 1 A 81 81 TYR H H 81 7.710 8.141 -0.431 1
1 373 . 4 1 1 A 81 81 TYR HA H 81 4.080 4.116 -0.036 1
1 378 . 4 1 1 A 81 81 TYR C C 81 172.400 177.361 -4.961 1
1 379 . 4 1 1 A 81 81 TYR CA C 81 56.100 61.411 -5.311 1
1 380 . 4 1 1 A 81 81 TYR CB C 81 34.800 38.176 -3.376 1
1 381 . 4 1 1 A 81 81 TYR N N 81 113.400 115.211 -1.811 1
1 382 . 4 1 1 A 82 82 SER H H 82 7.070 7.826 -0.756 1
1 383 . 4 1 1 A 82 82 SER HA H 82 4.410 4.355 0.055 1
1 386 . 4 1 1 A 82 82 SER C C 82 174.500 174.463 0.037 1
1 387 . 4 1 1 A 82 82 SER CA C 82 56.300 61.133 -4.833 1
1 388 . 4 1 1 A 82 82 SER CB C 82 59.200 63.832 -4.632 1
1 389 . 4 1 1 A 82 82 SER N N 82 115.600 116.068 -0.468 1
1 390 . 4 1 1 A 83 83 THR H H 83 9.290 7.919 1.371 1
1 391 . 4 1 1 A 83 83 THR HA H 83 4.400 3.965 0.435 1
1 396 . 4 1 1 A 83 83 THR C C 83 172.200 174.806 -2.606 1
1 397 . 4 1 1 A 83 83 THR CA C 83 57.500 63.783 -6.283 1
1 398 . 4 1 1 A 83 83 THR CB C 83 65.800 66.833 -1.033 1
1 400 . 4 1 1 A 83 83 THR N N 83 120.400 114.244 6.156 1
1 401 . 4 1 1 A 84 84 GLU H H 84 7.170 8.643 -1.473 1
1 402 . 4 1 1 A 84 84 GLU HA H 84 3.860 4.090 -0.230 1
1 406 . 4 1 1 A 84 84 GLU C C 84 173.300 176.385 -3.085 1
1 407 . 4 1 1 A 84 84 GLU CA C 84 53.100 59.139 -6.039 1
1 408 . 4 1 1 A 84 84 GLU CB C 84 28.400 29.863 -1.463 1
1 410 . 4 1 1 A 84 84 GLU N N 84 121.600 121.761 -0.161 1
1 411 . 4 1 1 A 85 85 GLU H H 85 8.390 7.872 0.518 1
1 412 . 4 1 1 A 85 85 GLU HA H 85 3.730 4.593 -0.863 1
1 417 . 4 1 1 A 85 85 GLU C C 85 175.500 175.917 -0.417 1
1 418 . 4 1 1 A 85 85 GLU CA C 85 56.700 57.383 -0.683 1
1 419 . 4 1 1 A 85 85 GLU CB C 85 26.900 32.164 -5.264 1
1 421 . 4 1 1 A 85 85 GLU N N 85 121.800 114.863 6.937 1
1 422 . 4 1 1 A 86 86 ILE H H 86 8.060 8.333 -0.273 1
1 423 . 4 1 1 A 86 86 ILE HA H 86 4.060 4.053 0.007 1
1 433 . 4 1 1 A 86 86 ILE C C 86 172.400 175.850 -3.450 1
1 434 . 4 1 1 A 86 86 ILE CA C 86 56.800 61.647 -4.847 1
1 435 . 4 1 1 A 86 86 ILE CB C 86 32.700 37.888 -5.188 1
1 439 . 4 1 1 A 86 86 ILE N N 86 117.800 120.851 -3.051 1
1 440 . 4 1 1 A 87 87 LYS H H 87 8.200 8.452 -0.252 1
1 441 . 4 1 1 A 87 87 LYS HA H 87 3.470 1.775 1.695 1
1 450 . 4 1 1 A 87 87 LYS C C 87 175.200 176.716 -1.516 1
1 451 . 4 1 1 A 87 87 LYS CA C 87 56.800 57.691 -0.891 1
1 452 . 4 1 1 A 87 87 LYS CB C 87 30.300 31.663 -1.363 1
1 456 . 4 1 1 A 87 87 LYS N N 87 130.300 125.845 4.455 1
1 457 . 4 1 1 A 88 88 GLY H H 88 8.820 8.129 0.691 1
1 458 . 4 1 1 A 88 88 GLY HA2 H 88 4.440 2.637 1.803 1
1 459 . 4 1 1 A 88 88 GLY HA3 H 88 3.560 3.815 -0.255 1
1 460 . 4 1 1 A 88 88 GLY C C 88 172.800 175.082 -2.282 1
1 461 . 4 1 1 A 88 88 GLY CA C 88 42.800 45.746 -2.946 1
1 462 . 4 1 1 A 88 88 GLY N N 88 110.400 113.182 -2.782 1
1 463 . 4 1 1 A 89 89 SER H H 89 8.570 8.052 0.518 1
1 464 . 4 1 1 A 89 89 SER HA H 89 4.040 4.016 0.024 1
1 467 . 4 1 1 A 89 89 SER C C 89 171.300 175.979 -4.679 1
1 468 . 4 1 1 A 89 89 SER CA C 89 58.200 61.655 -3.455 1
1 469 . 4 1 1 A 89 89 SER CB C 89 59.200 62.599 -3.399 1
1 470 . 4 1 1 A 89 89 SER N N 89 118.000 115.545 2.455 1
1 471 . 4 1 1 A 90 90 ASP H H 90 10.480 8.104 2.376 1
1 472 . 4 1 1 A 90 90 ASP HA H 90 4.580 4.408 0.172 1
1 475 . 4 1 1 A 90 90 ASP C C 90 173.500 177.370 -3.870 1
1 476 . 4 1 1 A 90 90 ASP CA C 90 50.500 56.009 -5.509 1
1 477 . 4 1 1 A 90 90 ASP CB C 90 34.900 40.873 -5.973 1
1 478 . 4 1 1 A 90 90 ASP N N 90 116.400 120.118 -3.718 1
1 479 . 4 1 1 A 91 91 CYS H H 91 7.420 7.797 -0.377 1
1 480 . 4 1 1 A 91 91 CYS HA H 91 5.180 4.984 0.196 1
1 483 . 4 1 1 A 91 91 CYS C C 91 172.800 174.446 -1.646 1
1 484 . 4 1 1 A 91 91 CYS CA C 91 50.600 55.719 -5.119 1
1 485 . 4 1 1 A 91 91 CYS CB C 91 38.000 42.531 -4.531 1
1 486 . 4 1 1 A 91 91 CYS N N 91 117.300 116.483 0.817 1
1 487 . 4 1 1 A 92 92 VAL H H 92 7.320 7.618 -0.298 1
1 488 . 4 1 1 A 92 92 VAL HA H 92 3.470 3.494 -0.024 1
1 496 . 4 1 1 A 92 92 VAL C C 92 175.700 177.625 -1.925 1
1 497 . 4 1 1 A 92 92 VAL CA C 92 64.000 66.176 -2.176 1
1 498 . 4 1 1 A 92 92 VAL CB C 92 29.300 31.527 -2.227 1
1 501 . 4 1 1 A 92 92 VAL N N 92 120.500 123.154 -2.654 1
1 502 . 4 1 1 A 93 93 ASP H H 93 8.870 8.231 0.639 1
1 503 . 4 1 1 A 93 93 ASP HA H 93 4.280 4.352 -0.072 1
1 505 . 4 1 1 A 93 93 ASP C C 93 176.500 178.639 -2.139 1
1 506 . 4 1 1 A 93 93 ASP CA C 93 55.100 57.343 -2.243 1
1 507 . 4 1 1 A 93 93 ASP CB C 93 36.800 41.030 -4.230 1
1 508 . 4 1 1 A 93 93 ASP N N 93 120.500 120.301 0.199 1
1 509 . 4 1 1 A 94 94 GLN H H 94 9.140 8.509 0.631 1
1 510 . 4 1 1 A 94 94 GLN HA H 94 3.920 4.069 -0.149 1
1 517 . 4 1 1 A 94 94 GLN C C 94 178.100 179.177 -1.077 1
1 518 . 4 1 1 A 94 94 GLN CA C 94 57.100 59.087 -1.987 1
1 519 . 4 1 1 A 94 94 GLN CB C 94 24.500 28.356 -3.856 1
1 521 . 4 1 1 A 94 94 GLN N N 94 121.800 117.962 3.838 1
1 523 . 4 1 1 A 95 95 PHE H H 95 8.920 7.910 1.010 1
1 524 . 4 1 1 A 95 95 PHE HA H 95 4.130 4.177 -0.047 1
1 529 . 4 1 1 A 95 95 PHE C C 95 175.100 177.931 -2.831 1
1 530 . 4 1 1 A 95 95 PHE CA C 95 57.500 60.577 -3.077 1
1 531 . 4 1 1 A 95 95 PHE CB C 95 34.500 38.080 -3.580 1
1 532 . 4 1 1 A 95 95 PHE N N 95 122.500 119.619 2.881 1
1 533 . 4 1 1 A 96 96 ARG H H 96 8.500 8.652 -0.152 1
1 534 . 4 1 1 A 96 96 ARG HA H 96 4.040 4.134 -0.094 1
1 540 . 4 1 1 A 96 96 ARG C C 96 175.700 178.349 -2.649 1
1 541 . 4 1 1 A 96 96 ARG CA C 96 56.800 59.616 -2.816 1
1 542 . 4 1 1 A 96 96 ARG CB C 96 26.800 29.935 -3.135 1
1 545 . 4 1 1 A 96 96 ARG N N 96 121.600 119.925 1.675 1
1 546 . 4 1 1 A 97 97 ALA H H 97 7.960 8.243 -0.283 1
1 547 . 4 1 1 A 97 97 ALA HA H 97 4.110 4.111 -0.001 1
1 551 . 4 1 1 A 97 97 ALA C C 97 178.600 179.590 -0.990 1
1 552 . 4 1 1 A 97 97 ALA CA C 97 52.100 55.330 -3.230 1
1 553 . 4 1 1 A 97 97 ALA CB C 97 15.200 18.086 -2.886 1
1 554 . 4 1 1 A 97 97 ALA N N 97 120.300 122.348 -2.048 1
1 555 . 4 1 1 A 98 98 MET H H 98 7.600 8.382 -0.782 1
1 556 . 4 1 1 A 98 98 MET HA H 98 3.830 3.959 -0.129 1
1 559 . 4 1 1 A 98 98 MET C C 98 173.900 178.463 -4.563 1
1 560 . 4 1 1 A 98 98 MET CA C 98 56.400 58.406 -2.006 1
1 561 . 4 1 1 A 98 98 MET CB C 98 30.100 32.047 -1.947 1
1 563 . 4 1 1 A 98 98 MET N N 98 118.400 118.840 -0.440 1
1 564 . 4 1 1 A 99 99 GLN H H 99 8.410 7.966 0.444 1
1 565 . 4 1 1 A 99 99 GLN HA H 99 3.800 4.060 -0.260 1
1 569 . 4 1 1 A 99 99 GLN C C 99 173.400 178.288 -4.888 1
1 570 . 4 1 1 A 99 99 GLN CA C 99 56.800 58.990 -2.190 1
1 571 . 4 1 1 A 99 99 GLN CB C 99 25.900 28.394 -2.494 1
1 573 . 4 1 1 A 99 99 GLN N N 99 120.800 118.422 2.378 1
1 574 . 4 1 1 A 100 100 GLU H H 100 8.510 8.439 0.071 1
1 575 . 4 1 1 A 100 100 GLU HA H 100 3.820 4.007 -0.187 1
1 580 . 4 1 1 A 100 100 GLU C C 100 175.900 178.902 -3.002 1
1 581 . 4 1 1 A 100 100 GLU CA C 100 56.500 59.476 -2.976 1
1 582 . 4 1 1 A 100 100 GLU CB C 100 26.900 28.530 -1.630 1
1 584 . 4 1 1 A 100 100 GLU N N 100 117.600 117.696 -0.096 1
1 585 . 4 1 1 A 101 101 CYS H H 101 7.310 7.908 -0.598 1
1 586 . 4 1 1 A 101 101 CYS HA H 101 4.230 4.103 0.127 1
1 589 . 4 1 1 A 101 101 CYS C C 101 173.800 176.358 -2.558 1
1 590 . 4 1 1 A 101 101 CYS CA C 101 57.800 59.385 -1.585 1
1 591 . 4 1 1 A 101 101 CYS CB C 101 36.500 41.861 -5.361 1
1 592 . 4 1 1 A 101 101 CYS N N 101 117.800 119.065 -1.265 1
1 593 . 4 1 1 A 102 102 MET H H 102 8.400 8.524 -0.124 1
1 594 . 4 1 1 A 102 102 MET HA H 102 3.820 4.441 -0.621 1
1 599 . 4 1 1 A 102 102 MET C C 102 177.100 177.197 -0.097 1
1 600 . 4 1 1 A 102 102 MET CA C 102 57.100 56.096 1.004 1
1 601 . 4 1 1 A 102 102 MET CB C 102 30.200 31.783 -1.583 1
1 603 . 4 1 1 A 102 102 MET N N 102 119.100 119.358 -0.258 1
1 604 . 4 1 1 A 103 103 GLN H H 103 7.850 8.002 -0.152 1
1 605 . 4 1 1 A 103 103 GLN HA H 103 3.960 4.188 -0.228 1
1 612 . 4 1 1 A 103 103 GLN C C 103 174.000 176.593 -2.593 1
1 613 . 4 1 1 A 103 103 GLN CA C 103 55.000 57.854 -2.854 1
1 614 . 4 1 1 A 103 103 GLN CB C 103 25.900 28.454 -2.554 1
1 616 . 4 1 1 A 103 103 GLN N N 103 117.200 117.023 0.177 1
1 618 . 4 1 1 A 104 104 LYS H H 104 7.470 7.404 0.066 1
1 619 . 4 1 1 A 104 104 LYS HA H 104 3.880 4.355 -0.475 1
1 626 . 4 1 1 A 104 104 LYS C C 104 173.200 175.266 -2.066 1
1 627 . 4 1 1 A 104 104 LYS CA C 104 54.600 56.118 -1.518 1
1 628 . 4 1 1 A 104 104 LYS CB C 104 29.600 33.304 -3.704 1
1 632 . 4 1 1 A 104 104 LYS N N 104 116.700 117.358 -0.658 1
1 633 . 4 1 1 A 105 105 TYR H H 105 7.390 7.822 -0.432 1
1 634 . 4 1 1 A 105 105 TYR HA H 105 5.040 4.879 0.161 1
1 639 . 4 1 1 A 105 105 TYR C C 105 170.800 174.867 -4.067 1
1 640 . 4 1 1 A 105 105 TYR CA C 105 52.300 55.239 -2.939 1
1 641 . 4 1 1 A 105 105 TYR CB C 105 36.700 39.830 -3.130 1
1 642 . 4 1 1 A 105 105 TYR N N 105 115.700 118.813 -3.113 1
1 643 . 4 1 1 A 106 106 PRO HA H 106 4.470 4.526 -0.056 1
1 650 . 4 1 1 A 106 106 PRO CA C 106 61.800 64.786 -2.986 1
1 651 . 4 1 1 A 106 106 PRO CB C 106 29.000 32.130 -3.130 1
1 654 . 4 1 1 A 107 107 ASP H H 107 8.750 7.862 0.888 1
1 655 . 4 1 1 A 107 107 ASP HA H 107 4.310 4.662 -0.352 1
1 658 . 4 1 1 A 107 107 ASP C C 107 174.000 176.042 -2.042 1
1 659 . 4 1 1 A 107 107 ASP CA C 107 52.200 53.243 -1.043 1
1 660 . 4 1 1 A 107 107 ASP CB C 107 36.800 42.925 -6.125 1
1 661 . 4 1 1 A 107 107 ASP N N 107 114.800 116.255 -1.455 1
1 662 . 4 1 1 A 108 108 LEU H H 108 7.270 7.658 -0.388 1
1 663 . 4 1 1 A 108 108 LEU HA H 108 4.030 3.828 0.202 1
1 673 . 4 1 1 A 108 108 LEU C C 108 173.800 178.261 -4.461 1
1 674 . 4 1 1 A 108 108 LEU CA C 108 52.500 56.823 -4.323 1
1 675 . 4 1 1 A 108 108 LEU CB C 108 40.000 41.508 -1.508 1
1 679 . 4 1 1 A 108 108 LEU N N 108 118.900 119.173 -0.273 1
1 7 . 5 1 1 A 46 46 LEU HA H 46 3.970 4.174 -0.204 1
1 17 . 5 1 1 A 46 46 LEU CA C 46 55.000 56.878 -1.878 1
1 18 . 5 1 1 A 46 46 LEU CB C 46 40.300 41.829 -1.529 1
1 22 . 5 1 1 A 47 47 ILE H H 47 7.570 8.309 -0.739 1
1 23 . 5 1 1 A 47 47 ILE HA H 47 4.270 4.549 -0.279 1
1 33 . 5 1 1 A 47 47 ILE C C 47 174.500 175.015 -0.515 1
1 34 . 5 1 1 A 47 47 ILE CA C 47 54.600 59.466 -4.866 1
1 35 . 5 1 1 A 47 47 ILE CB C 47 34.500 40.269 -5.769 1
1 39 . 5 1 1 A 47 47 ILE N N 47 115.000 119.403 -4.403 1
1 40 . 5 1 1 A 48 48 LEU H H 48 8.760 9.000 -0.240 1
1 41 . 5 1 1 A 48 48 LEU HA H 48 4.260 4.483 -0.223 1
1 51 . 5 1 1 A 48 48 LEU C C 48 174.400 176.781 -2.381 1
1 52 . 5 1 1 A 48 48 LEU CA C 48 51.200 53.014 -1.814 1
1 53 . 5 1 1 A 48 48 LEU CB C 48 37.800 41.348 -3.548 1
1 57 . 5 1 1 A 48 48 LEU N N 48 127.400 126.955 0.445 1
1 58 . 5 1 1 A 49 49 PRO HA H 49 4.170 4.522 -0.352 1
1 63 . 5 1 1 A 49 49 PRO CA C 49 62.500 64.285 -1.785 1
1 64 . 5 1 1 A 49 49 PRO CB C 49 28.900 31.588 -2.688 1
1 67 . 5 1 1 A 50 50 ASN H H 50 7.180 7.840 -0.660 1
1 68 . 5 1 1 A 50 50 ASN HA H 50 4.420 4.593 -0.173 1
1 73 . 5 1 1 A 50 50 ASN C C 50 173.700 175.803 -2.103 1
1 74 . 5 1 1 A 50 50 ASN CA C 50 49.500 52.638 -3.138 1
1 75 . 5 1 1 A 50 50 ASN CB C 50 34.400 38.464 -4.064 1
1 76 . 5 1 1 A 50 50 ASN N N 50 111.000 113.539 -2.539 1
1 78 . 5 1 1 A 51 51 GLY H H 51 8.370 8.262 0.108 1
1 79 . 5 1 1 A 51 51 GLY HA2 H 51 4.220 3.895 0.325 1
1 80 . 5 1 1 A 51 51 GLY HA3 H 51 3.400 3.979 -0.579 1
1 81 . 5 1 1 A 51 51 GLY C C 51 171.500 174.291 -2.791 1
1 82 . 5 1 1 A 51 51 GLY CA C 51 42.200 45.080 -2.880 1
1 83 . 5 1 1 A 51 51 GLY N N 51 108.400 108.549 -0.149 1
1 84 . 5 1 1 A 52 52 ASN H H 52 7.810 8.216 -0.406 1
1 85 . 5 1 1 A 52 52 ASN HA H 52 4.670 5.106 -0.436 1
1 90 . 5 1 1 A 52 52 ASN C C 52 170.900 175.187 -4.287 1
1 91 . 5 1 1 A 52 52 ASN CA C 52 49.400 52.987 -3.587 1
1 92 . 5 1 1 A 52 52 ASN CB C 52 36.100 40.208 -4.108 1
1 93 . 5 1 1 A 52 52 ASN N N 52 119.100 120.119 -1.019 1
1 95 . 5 1 1 A 53 53 ILE H H 53 8.070 8.393 -0.323 1
1 96 . 5 1 1 A 53 53 ILE HA H 53 3.470 3.973 -0.503 1
1 106 . 5 1 1 A 53 53 ILE C C 53 172.300 175.137 -2.837 1
1 107 . 5 1 1 A 53 53 ILE CA C 53 59.100 59.873 -0.773 1
1 108 . 5 1 1 A 53 53 ILE CB C 53 36.000 37.237 -1.237 1
1 112 . 5 1 1 A 53 53 ILE N N 53 120.100 123.942 -3.842 1
1 113 . 5 1 1 A 54 54 ASN H H 54 8.700 8.725 -0.025 1
1 114 . 5 1 1 A 54 54 ASN HA H 54 4.350 4.697 -0.347 1
1 119 . 5 1 1 A 54 54 ASN C C 54 172.300 175.768 -3.468 1
1 120 . 5 1 1 A 54 54 ASN CA C 54 47.500 51.277 -3.777 1
1 121 . 5 1 1 A 54 54 ASN CB C 54 34.200 37.610 -3.410 1
1 122 . 5 1 1 A 54 54 ASN N N 54 123.200 124.156 -0.956 1
1 124 . 5 1 1 A 55 55 TRP H H 55 7.520 7.724 -0.204 1
1 125 . 5 1 1 A 55 55 TRP HA H 55 4.300 4.653 -0.353 1
1 134 . 5 1 1 A 55 55 TRP C C 55 172.100 176.606 -4.506 1
1 135 . 5 1 1 A 55 55 TRP CA C 55 55.200 57.964 -2.764 1
1 136 . 5 1 1 A 55 55 TRP CB C 55 26.400 28.681 -2.281 1
1 137 . 5 1 1 A 55 55 TRP N N 55 124.600 124.735 -0.135 1
1 138 . 5 1 1 A 56 56 ASN H H 56 7.380 8.301 -0.921 1
1 139 . 5 1 1 A 56 56 ASN HA H 56 4.720 4.971 -0.251 1
1 144 . 5 1 1 A 56 56 ASN C C 56 172.100 174.873 -2.773 1
1 145 . 5 1 1 A 56 56 ASN CA C 56 49.500 52.144 -2.644 1
1 146 . 5 1 1 A 56 56 ASN CB C 56 36.200 39.113 -2.913 1
1 147 . 5 1 1 A 56 56 ASN N N 56 112.500 118.475 -5.975 1
1 149 . 5 1 1 A 57 57 CYS H H 57 7.460 7.540 -0.080 1
1 150 . 5 1 1 A 57 57 CYS HA H 57 4.280 4.514 -0.234 1
1 153 . 5 1 1 A 57 57 CYS C C 57 173.000 174.593 -1.593 1
1 154 . 5 1 1 A 57 57 CYS CA C 57 54.900 58.374 -3.474 1
1 155 . 5 1 1 A 57 57 CYS CB C 57 25.000 27.311 -2.311 1
1 156 . 5 1 1 A 57 57 CYS N N 57 123.000 119.596 3.404 1
1 157 . 5 1 1 A 58 58 PRO HA H 58 4.200 4.379 -0.179 1
1 162 . 5 1 1 A 58 58 PRO CA C 58 62.700 65.983 -3.283 1
1 163 . 5 1 1 A 58 58 PRO CB C 58 29.300 31.374 -2.074 1
1 166 . 5 1 1 A 59 59 CYS HA H 59 4.390 4.223 0.167 1
1 168 . 5 1 1 A 59 59 CYS CA C 59 57.000 62.811 -5.811 1
1 169 . 5 1 1 A 59 59 CYS CB C 59 24.400 27.976 -3.576 1
1 170 . 5 1 1 A 60 60 LEU H H 60 7.500 8.198 -0.698 1
1 171 . 5 1 1 A 60 60 LEU HA H 60 4.180 4.087 0.093 1
1 181 . 5 1 1 A 60 60 LEU C C 60 175.700 178.912 -3.212 1
1 182 . 5 1 1 A 60 60 LEU CA C 60 52.000 58.044 -6.044 1
1 183 . 5 1 1 A 60 60 LEU CB C 60 39.000 41.921 -2.921 1
1 187 . 5 1 1 A 60 60 LEU N N 60 117.700 122.304 -4.604 1
1 188 . 5 1 1 A 61 61 GLY H H 61 7.880 8.299 -0.419 1
1 189 . 5 1 1 A 61 61 GLY HA2 H 61 3.830 3.878 -0.048 1
1 190 . 5 1 1 A 61 61 GLY HA3 H 61 3.680 3.994 -0.314 1
1 191 . 5 1 1 A 61 61 GLY C C 61 172.700 176.324 -3.624 1
1 192 . 5 1 1 A 61 61 GLY CA C 61 44.700 47.590 -2.890 1
1 193 . 5 1 1 A 61 61 GLY N N 61 105.700 106.723 -1.023 1
1 194 . 5 1 1 A 62 62 GLY H H 62 8.580 8.454 0.126 1
1 195 . 5 1 1 A 62 62 GLY HA2 H 62 3.810 3.780 0.030 1
1 196 . 5 1 1 A 62 62 GLY HA3 H 62 3.680 3.780 -0.100 1
1 197 . 5 1 1 A 62 62 GLY C C 62 174.000 175.829 -1.829 1
1 198 . 5 1 1 A 62 62 GLY CA C 62 42.800 47.071 -4.271 1
1 199 . 5 1 1 A 62 62 GLY N N 62 108.500 109.973 -1.473 1
1 200 . 5 1 1 A 63 63 MET H H 63 7.460 8.048 -0.588 1
1 201 . 5 1 1 A 63 63 MET HA H 63 3.870 4.082 -0.212 1
1 206 . 5 1 1 A 63 63 MET C C 63 174.600 177.389 -2.789 1
1 207 . 5 1 1 A 63 63 MET CA C 63 54.400 58.234 -3.834 1
1 208 . 5 1 1 A 63 63 MET CB C 63 27.600 32.491 -4.891 1
1 210 . 5 1 1 A 63 63 MET N N 63 118.500 120.809 -2.309 1
1 211 . 5 1 1 A 64 64 ALA H H 64 8.080 7.424 0.656 1
1 212 . 5 1 1 A 64 64 ALA HA H 64 4.220 4.446 -0.226 1
1 216 . 5 1 1 A 64 64 ALA C C 64 173.800 177.207 -3.407 1
1 217 . 5 1 1 A 64 64 ALA CA C 64 50.400 51.774 -1.374 1
1 218 . 5 1 1 A 64 64 ALA CB C 64 16.500 19.330 -2.830 1
1 219 . 5 1 1 A 64 64 ALA N N 64 117.500 120.484 -2.984 1
1 220 . 5 1 1 A 65 65 SER H H 65 7.460 7.762 -0.302 1
1 221 . 5 1 1 A 65 65 SER HA H 65 4.570 4.457 0.113 1
1 224 . 5 1 1 A 65 65 SER C C 65 171.500 174.737 -3.237 1
1 225 . 5 1 1 A 65 65 SER CA C 65 54.800 58.451 -3.651 1
1 226 . 5 1 1 A 65 65 SER CB C 65 61.800 64.620 -2.820 1
1 227 . 5 1 1 A 65 65 SER N N 65 111.200 115.365 -4.165 1
1 228 . 5 1 1 A 66 66 GLY H H 66 7.480 8.476 -0.996 1
1 229 . 5 1 1 A 66 66 GLY HA2 H 66 3.980 3.824 0.156 1
1 230 . 5 1 1 A 66 66 GLY HA3 H 66 4.030 3.958 0.072 1
1 231 . 5 1 1 A 66 66 GLY C C 66 170.600 173.814 -3.214 1
1 232 . 5 1 1 A 66 66 GLY CA C 66 42.000 44.483 -2.483 1
1 233 . 5 1 1 A 66 66 GLY N N 66 108.800 110.294 -1.494 1
1 234 . 5 1 1 A 67 67 PRO HA H 67 4.210 4.282 -0.072 1
1 241 . 5 1 1 A 67 67 PRO CA C 67 62.000 64.454 -2.454 1
1 242 . 5 1 1 A 67 67 PRO CB C 67 28.900 31.532 -2.632 1
1 245 . 5 1 1 A 68 68 CYS H H 68 7.700 8.080 -0.380 1
1 246 . 5 1 1 A 68 68 CYS HA H 68 5.450 4.723 0.727 1
1 249 . 5 1 1 A 68 68 CYS C C 68 173.500 175.159 -1.659 1
1 250 . 5 1 1 A 68 68 CYS CA C 68 49.500 57.074 -7.574 1
1 251 . 5 1 1 A 68 68 CYS CB C 68 36.200 43.026 -6.826 1
1 252 . 5 1 1 A 68 68 CYS N N 68 115.300 115.419 -0.119 1
1 253 . 5 1 1 A 69 69 GLY H H 69 7.840 8.191 -0.351 1
1 254 . 5 1 1 A 69 69 GLY HA2 H 69 3.950 3.666 0.284 1
1 255 . 5 1 1 A 69 69 GLY HA3 H 69 3.550 3.717 -0.167 1
1 256 . 5 1 1 A 69 69 GLY C C 69 173.300 175.582 -2.282 1
1 257 . 5 1 1 A 69 69 GLY CA C 69 45.200 47.304 -2.104 1
1 258 . 5 1 1 A 69 69 GLY N N 69 110.200 109.973 0.227 1
1 259 . 5 1 1 A 70 70 GLU H H 70 8.650 7.914 0.736 1
1 260 . 5 1 1 A 70 70 GLU HA H 70 3.760 3.829 -0.069 1
1 265 . 5 1 1 A 70 70 GLU C C 70 176.800 179.410 -2.610 1
1 266 . 5 1 1 A 70 70 GLU CA C 70 56.300 59.097 -2.797 1
1 267 . 5 1 1 A 70 70 GLU CB C 70 26.000 29.186 -3.186 1
1 269 . 5 1 1 A 70 70 GLU N N 70 120.000 120.934 -0.934 1
1 270 . 5 1 1 A 71 71 GLN H H 71 8.860 7.599 1.261 1
1 271 . 5 1 1 A 71 71 GLN HA H 71 3.850 4.009 -0.159 1
1 278 . 5 1 1 A 71 71 GLN C C 71 177.400 178.431 -1.031 1
1 279 . 5 1 1 A 71 71 GLN CA C 71 57.200 58.405 -1.205 1
1 280 . 5 1 1 A 71 71 GLN CB C 71 24.400 28.737 -4.337 1
1 282 . 5 1 1 A 71 71 GLN N N 71 120.800 119.473 1.327 1
1 284 . 5 1 1 A 72 72 PHE H H 72 8.890 7.613 1.277 1
1 285 . 5 1 1 A 72 72 PHE HA H 72 4.200 3.953 0.247 1
1 291 . 5 1 1 A 72 72 PHE C C 72 173.500 177.717 -4.217 1
1 292 . 5 1 1 A 72 72 PHE CA C 72 59.000 61.451 -2.451 1
1 293 . 5 1 1 A 72 72 PHE CB C 72 36.000 38.895 -2.895 1
1 294 . 5 1 1 A 72 72 PHE N N 72 123.400 120.649 2.751 1
1 295 . 5 1 1 A 73 73 LYS H H 73 8.480 7.916 0.564 1
1 296 . 5 1 1 A 73 73 LYS HA H 73 3.430 3.014 0.416 1
1 304 . 5 1 1 A 73 73 LYS C C 73 177.600 178.912 -1.312 1
1 305 . 5 1 1 A 73 73 LYS CA C 73 56.700 59.160 -2.460 1
1 306 . 5 1 1 A 73 73 LYS CB C 73 29.600 31.857 -2.257 1
1 310 . 5 1 1 A 73 73 LYS N N 73 119.900 118.093 1.807 1
1 311 . 5 1 1 A 74 74 SER H H 74 7.780 7.504 0.276 1
1 312 . 5 1 1 A 74 74 SER HA H 74 4.120 4.141 -0.021 1
1 315 . 5 1 1 A 74 74 SER C C 74 174.300 177.325 -3.025 1
1 316 . 5 1 1 A 74 74 SER CA C 74 58.700 61.365 -2.665 1
1 317 . 5 1 1 A 74 74 SER CB C 74 59.900 62.613 -2.713 1
1 318 . 5 1 1 A 74 74 SER N N 74 114.200 114.227 -0.027 1
1 319 . 5 1 1 A 75 75 ALA H H 75 7.870 8.123 -0.253 1
1 320 . 5 1 1 A 75 75 ALA HA H 75 3.840 3.885 -0.045 1
1 324 . 5 1 1 A 75 75 ALA C C 75 175.100 179.721 -4.621 1
1 325 . 5 1 1 A 75 75 ALA CA C 75 53.200 54.907 -1.707 1
1 326 . 5 1 1 A 75 75 ALA CB C 75 15.500 17.992 -2.492 1
1 327 . 5 1 1 A 75 75 ALA N N 75 123.100 122.319 0.781 1
1 328 . 5 1 1 A 76 76 PHE H H 76 9.450 7.879 1.571 1
1 329 . 5 1 1 A 76 76 PHE HA H 76 3.700 4.538 -0.838 1
1 334 . 5 1 1 A 76 76 PHE C C 76 174.600 177.752 -3.152 1
1 335 . 5 1 1 A 76 76 PHE CA C 76 59.600 61.151 -1.551 1
1 336 . 5 1 1 A 76 76 PHE CB C 76 35.800 38.746 -2.946 1
1 337 . 5 1 1 A 76 76 PHE N N 76 118.800 118.580 0.220 1
1 338 . 5 1 1 A 77 77 SER H H 77 8.550 8.046 0.504 1
1 339 . 5 1 1 A 77 77 SER HA H 77 4.130 4.087 0.043 1
1 341 . 5 1 1 A 77 77 SER C C 77 172.200 177.263 -5.063 1
1 342 . 5 1 1 A 77 77 SER CA C 77 60.100 61.839 -1.739 1
1 343 . 5 1 1 A 77 77 SER CB C 77 59.800 62.616 -2.816 1
1 344 . 5 1 1 A 77 77 SER N N 77 113.200 113.361 -0.161 1
1 345 . 5 1 1 A 78 78 CYS H H 78 7.430 8.364 -0.934 1
1 346 . 5 1 1 A 78 78 CYS HA H 78 4.080 4.031 0.049 1
1 349 . 5 1 1 A 78 78 CYS C C 78 174.000 175.737 -1.737 1
1 350 . 5 1 1 A 78 78 CYS CA C 78 57.900 60.332 -2.432 1
1 351 . 5 1 1 A 78 78 CYS CB C 78 36.400 40.549 -4.149 1
1 352 . 5 1 1 A 78 78 CYS N N 78 118.900 119.509 -0.609 1
1 353 . 5 1 1 A 79 79 PHE H H 79 8.270 8.625 -0.355 1
1 354 . 5 1 1 A 79 79 PHE HA H 79 3.740 4.189 -0.449 1
1 359 . 5 1 1 A 79 79 PHE C C 79 173.600 177.010 -3.410 1
1 360 . 5 1 1 A 79 79 PHE CA C 79 59.200 61.760 -2.560 1
1 361 . 5 1 1 A 79 79 PHE CB C 79 37.000 39.016 -2.016 1
1 362 . 5 1 1 A 79 79 PHE N N 79 120.400 121.945 -1.545 1
1 363 . 5 1 1 A 80 80 HIS H H 80 8.840 8.340 0.500 1
1 364 . 5 1 1 A 80 80 HIS HA H 80 3.460 3.780 -0.320 1
1 368 . 5 1 1 A 80 80 HIS C C 80 175.700 176.965 -1.265 1
1 369 . 5 1 1 A 80 80 HIS CA C 80 57.000 59.386 -2.386 1
1 370 . 5 1 1 A 80 80 HIS CB C 80 28.300 29.613 -1.313 1
1 371 . 5 1 1 A 80 80 HIS N N 80 118.400 117.887 0.513 1
1 372 . 5 1 1 A 81 81 TYR H H 81 7.710 8.395 -0.685 1
1 373 . 5 1 1 A 81 81 TYR HA H 81 4.080 3.961 0.119 1
1 378 . 5 1 1 A 81 81 TYR C C 81 172.400 177.933 -5.533 1
1 379 . 5 1 1 A 81 81 TYR CA C 81 56.100 61.498 -5.398 1
1 380 . 5 1 1 A 81 81 TYR CB C 81 34.800 38.080 -3.280 1
1 381 . 5 1 1 A 81 81 TYR N N 81 113.400 116.667 -3.267 1
1 382 . 5 1 1 A 82 82 SER H H 82 7.070 8.133 -1.063 1
1 383 . 5 1 1 A 82 82 SER HA H 82 4.410 4.251 0.159 1
1 386 . 5 1 1 A 82 82 SER C C 82 174.500 174.226 0.274 1
1 387 . 5 1 1 A 82 82 SER CA C 82 56.300 61.313 -5.013 1
1 388 . 5 1 1 A 82 82 SER CB C 82 59.200 62.656 -3.456 1
1 389 . 5 1 1 A 82 82 SER N N 82 115.600 116.775 -1.175 1
1 390 . 5 1 1 A 83 83 THR H H 83 9.290 7.746 1.544 1
1 391 . 5 1 1 A 83 83 THR HA H 83 4.400 3.757 0.643 1
1 396 . 5 1 1 A 83 83 THR C C 83 172.200 174.036 -1.836 1
1 397 . 5 1 1 A 83 83 THR CA C 83 57.500 62.699 -5.199 1
1 398 . 5 1 1 A 83 83 THR CB C 83 65.800 66.920 -1.120 1
1 400 . 5 1 1 A 83 83 THR N N 83 120.400 114.301 6.099 1
1 401 . 5 1 1 A 84 84 GLU H H 84 7.170 8.142 -0.972 1
1 402 . 5 1 1 A 84 84 GLU HA H 84 3.860 4.494 -0.634 1
1 406 . 5 1 1 A 84 84 GLU C C 84 173.300 177.030 -3.730 1
1 407 . 5 1 1 A 84 84 GLU CA C 84 53.100 57.712 -4.612 1
1 408 . 5 1 1 A 84 84 GLU CB C 84 28.400 30.353 -1.953 1
1 410 . 5 1 1 A 84 84 GLU N N 84 121.600 123.152 -1.552 1
1 411 . 5 1 1 A 85 85 GLU H H 85 8.390 8.024 0.366 1
1 412 . 5 1 1 A 85 85 GLU HA H 85 3.730 4.693 -0.963 1
1 417 . 5 1 1 A 85 85 GLU C C 85 175.500 175.599 -0.099 1
1 418 . 5 1 1 A 85 85 GLU CA C 85 56.700 58.118 -1.418 1
1 419 . 5 1 1 A 85 85 GLU CB C 85 26.900 32.146 -5.246 1
1 421 . 5 1 1 A 85 85 GLU N N 85 121.800 114.868 6.932 1
1 422 . 5 1 1 A 86 86 ILE H H 86 8.060 8.241 -0.181 1
1 423 . 5 1 1 A 86 86 ILE HA H 86 4.060 4.216 -0.156 1
1 433 . 5 1 1 A 86 86 ILE C C 86 172.400 175.670 -3.270 1
1 434 . 5 1 1 A 86 86 ILE CA C 86 56.800 60.648 -3.848 1
1 435 . 5 1 1 A 86 86 ILE CB C 86 32.700 38.573 -5.873 1
1 439 . 5 1 1 A 86 86 ILE N N 86 117.800 120.189 -2.389 1
1 440 . 5 1 1 A 87 87 LYS H H 87 8.200 8.388 -0.188 1
1 441 . 5 1 1 A 87 87 LYS HA H 87 3.470 1.779 1.691 1
1 450 . 5 1 1 A 87 87 LYS C C 87 175.200 176.790 -1.590 1
1 451 . 5 1 1 A 87 87 LYS CA C 87 56.800 57.715 -0.915 1
1 452 . 5 1 1 A 87 87 LYS CB C 87 30.300 31.630 -1.330 1
1 456 . 5 1 1 A 87 87 LYS N N 87 130.300 125.984 4.316 1
1 457 . 5 1 1 A 88 88 GLY H H 88 8.820 8.399 0.421 1
1 458 . 5 1 1 A 88 88 GLY HA2 H 88 4.440 3.212 1.228 1
1 459 . 5 1 1 A 88 88 GLY HA3 H 88 3.560 3.975 -0.415 1
1 460 . 5 1 1 A 88 88 GLY C C 88 172.800 175.474 -2.674 1
1 461 . 5 1 1 A 88 88 GLY CA C 88 42.800 45.069 -2.269 1
1 462 . 5 1 1 A 88 88 GLY N N 88 110.400 113.529 -3.129 1
1 463 . 5 1 1 A 89 89 SER H H 89 8.570 7.973 0.597 1
1 464 . 5 1 1 A 89 89 SER HA H 89 4.040 4.130 -0.090 1
1 467 . 5 1 1 A 89 89 SER C C 89 171.300 176.023 -4.723 1
1 468 . 5 1 1 A 89 89 SER CA C 89 58.200 61.826 -3.626 1
1 469 . 5 1 1 A 89 89 SER CB C 89 59.200 62.744 -3.544 1
1 470 . 5 1 1 A 89 89 SER N N 89 118.000 115.760 2.240 1
1 471 . 5 1 1 A 90 90 ASP H H 90 10.480 8.112 2.368 1
1 472 . 5 1 1 A 90 90 ASP HA H 90 4.580 4.580 0.000 1
1 475 . 5 1 1 A 90 90 ASP C C 90 173.500 176.971 -3.471 1
1 476 . 5 1 1 A 90 90 ASP CA C 90 50.500 54.719 -4.219 1
1 477 . 5 1 1 A 90 90 ASP CB C 90 34.900 41.159 -6.259 1
1 478 . 5 1 1 A 90 90 ASP N N 90 116.400 119.215 -2.815 1
1 479 . 5 1 1 A 91 91 CYS H H 91 7.420 8.018 -0.598 1
1 480 . 5 1 1 A 91 91 CYS HA H 91 5.180 4.976 0.204 1
1 483 . 5 1 1 A 91 91 CYS C C 91 172.800 174.175 -1.375 1
1 484 . 5 1 1 A 91 91 CYS CA C 91 50.600 55.886 -5.286 1
1 485 . 5 1 1 A 91 91 CYS CB C 91 38.000 44.145 -6.145 1
1 486 . 5 1 1 A 91 91 CYS N N 91 117.300 117.330 -0.030 1
1 487 . 5 1 1 A 92 92 VAL H H 92 7.320 7.214 0.106 1
1 488 . 5 1 1 A 92 92 VAL HA H 92 3.470 3.652 -0.182 1
1 496 . 5 1 1 A 92 92 VAL C C 92 175.700 177.668 -1.968 1
1 497 . 5 1 1 A 92 92 VAL CA C 92 64.000 66.300 -2.300 1
1 498 . 5 1 1 A 92 92 VAL CB C 92 29.300 31.637 -2.337 1
1 501 . 5 1 1 A 92 92 VAL N N 92 120.500 122.778 -2.278 1
1 502 . 5 1 1 A 93 93 ASP H H 93 8.870 8.294 0.576 1
1 503 . 5 1 1 A 93 93 ASP HA H 93 4.280 4.307 -0.027 1
1 505 . 5 1 1 A 93 93 ASP C C 93 176.500 178.464 -1.964 1
1 506 . 5 1 1 A 93 93 ASP CA C 93 55.100 57.852 -2.752 1
1 507 . 5 1 1 A 93 93 ASP CB C 93 36.800 41.775 -4.975 1
1 508 . 5 1 1 A 93 93 ASP N N 93 120.500 120.493 0.007 1
1 509 . 5 1 1 A 94 94 GLN H H 94 9.140 8.168 0.972 1
1 510 . 5 1 1 A 94 94 GLN HA H 94 3.920 4.054 -0.134 1
1 517 . 5 1 1 A 94 94 GLN C C 94 178.100 179.101 -1.001 1
1 518 . 5 1 1 A 94 94 GLN CA C 94 57.100 59.003 -1.903 1
1 519 . 5 1 1 A 94 94 GLN CB C 94 24.500 28.483 -3.983 1
1 521 . 5 1 1 A 94 94 GLN N N 94 121.800 117.767 4.033 1
1 523 . 5 1 1 A 95 95 PHE H H 95 8.920 8.322 0.598 1
1 524 . 5 1 1 A 95 95 PHE HA H 95 4.130 4.321 -0.191 1
1 529 . 5 1 1 A 95 95 PHE C C 95 175.100 178.135 -3.035 1
1 530 . 5 1 1 A 95 95 PHE CA C 95 57.500 60.682 -3.182 1
1 531 . 5 1 1 A 95 95 PHE CB C 95 34.500 38.754 -4.254 1
1 532 . 5 1 1 A 95 95 PHE N N 95 122.500 119.610 2.890 1
1 533 . 5 1 1 A 96 96 ARG H H 96 8.500 8.430 0.070 1
1 534 . 5 1 1 A 96 96 ARG HA H 96 4.040 3.932 0.108 1
1 540 . 5 1 1 A 96 96 ARG C C 96 175.700 178.020 -2.320 1
1 541 . 5 1 1 A 96 96 ARG CA C 96 56.800 59.814 -3.014 1
1 542 . 5 1 1 A 96 96 ARG CB C 96 26.800 29.651 -2.851 1
1 545 . 5 1 1 A 96 96 ARG N N 96 121.600 121.089 0.511 1
1 546 . 5 1 1 A 97 97 ALA H H 97 7.960 8.392 -0.432 1
1 547 . 5 1 1 A 97 97 ALA HA H 97 4.110 4.098 0.012 1
1 551 . 5 1 1 A 97 97 ALA C C 97 178.600 179.896 -1.296 1
1 552 . 5 1 1 A 97 97 ALA CA C 97 52.100 55.147 -3.047 1
1 553 . 5 1 1 A 97 97 ALA CB C 97 15.200 18.106 -2.906 1
1 554 . 5 1 1 A 97 97 ALA N N 97 120.300 121.045 -0.745 1
1 555 . 5 1 1 A 98 98 MET H H 98 7.600 8.204 -0.604 1
1 556 . 5 1 1 A 98 98 MET HA H 98 3.830 4.163 -0.333 1
1 559 . 5 1 1 A 98 98 MET C C 98 173.900 178.282 -4.382 1
1 560 . 5 1 1 A 98 98 MET CA C 98 56.400 58.108 -1.708 1
1 561 . 5 1 1 A 98 98 MET CB C 98 30.100 31.942 -1.842 1
1 563 . 5 1 1 A 98 98 MET N N 98 118.400 118.660 -0.260 1
1 564 . 5 1 1 A 99 99 GLN H H 99 8.410 8.351 0.059 1
1 565 . 5 1 1 A 99 99 GLN HA H 99 3.800 3.977 -0.177 1
1 569 . 5 1 1 A 99 99 GLN C C 99 173.400 178.027 -4.627 1
1 570 . 5 1 1 A 99 99 GLN CA C 99 56.800 59.407 -2.607 1
1 571 . 5 1 1 A 99 99 GLN CB C 99 25.900 28.334 -2.434 1
1 573 . 5 1 1 A 99 99 GLN N N 99 120.800 119.142 1.658 1
1 574 . 5 1 1 A 100 100 GLU H H 100 8.510 8.668 -0.158 1
1 575 . 5 1 1 A 100 100 GLU HA H 100 3.820 3.985 -0.165 1
1 580 . 5 1 1 A 100 100 GLU C C 100 175.900 178.790 -2.890 1
1 581 . 5 1 1 A 100 100 GLU CA C 100 56.500 59.432 -2.932 1
1 582 . 5 1 1 A 100 100 GLU CB C 100 26.900 28.631 -1.731 1
1 584 . 5 1 1 A 100 100 GLU N N 100 117.600 116.807 0.793 1
1 585 . 5 1 1 A 101 101 CYS H H 101 7.310 7.681 -0.371 1
1 586 . 5 1 1 A 101 101 CYS HA H 101 4.230 4.346 -0.116 1
1 589 . 5 1 1 A 101 101 CYS C C 101 173.800 176.188 -2.388 1
1 590 . 5 1 1 A 101 101 CYS CA C 101 57.800 59.336 -1.536 1
1 591 . 5 1 1 A 101 101 CYS CB C 101 36.500 42.077 -5.577 1
1 592 . 5 1 1 A 101 101 CYS N N 101 117.800 118.845 -1.045 1
1 593 . 5 1 1 A 102 102 MET H H 102 8.400 8.495 -0.095 1
1 594 . 5 1 1 A 102 102 MET HA H 102 3.820 4.297 -0.477 1
1 599 . 5 1 1 A 102 102 MET C C 102 177.100 177.944 -0.844 1
1 600 . 5 1 1 A 102 102 MET CA C 102 57.100 58.192 -1.092 1
1 601 . 5 1 1 A 102 102 MET CB C 102 30.200 32.330 -2.130 1
1 603 . 5 1 1 A 102 102 MET N N 102 119.100 119.603 -0.503 1
1 604 . 5 1 1 A 103 103 GLN H H 103 7.850 8.685 -0.835 1
1 605 . 5 1 1 A 103 103 GLN HA H 103 3.960 4.140 -0.180 1
1 612 . 5 1 1 A 103 103 GLN C C 103 174.000 177.298 -3.298 1
1 613 . 5 1 1 A 103 103 GLN CA C 103 55.000 57.625 -2.625 1
1 614 . 5 1 1 A 103 103 GLN CB C 103 25.900 27.215 -1.315 1
1 616 . 5 1 1 A 103 103 GLN N N 103 117.200 117.413 -0.213 1
1 618 . 5 1 1 A 104 104 LYS H H 104 7.470 7.539 -0.069 1
1 619 . 5 1 1 A 104 104 LYS HA H 104 3.880 3.980 -0.100 1
1 626 . 5 1 1 A 104 104 LYS C C 104 173.200 176.062 -2.862 1
1 627 . 5 1 1 A 104 104 LYS CA C 104 54.600 57.530 -2.930 1
1 628 . 5 1 1 A 104 104 LYS CB C 104 29.600 33.345 -3.745 1
1 632 . 5 1 1 A 104 104 LYS N N 104 116.700 117.489 -0.789 1
1 633 . 5 1 1 A 105 105 TYR H H 105 7.390 7.717 -0.327 1
1 634 . 5 1 1 A 105 105 TYR HA H 105 5.040 5.115 -0.075 1
1 639 . 5 1 1 A 105 105 TYR C C 105 170.800 174.620 -3.820 1
1 640 . 5 1 1 A 105 105 TYR CA C 105 52.300 55.173 -2.873 1
1 641 . 5 1 1 A 105 105 TYR CB C 105 36.700 38.572 -1.872 1
1 642 . 5 1 1 A 105 105 TYR N N 105 115.700 116.920 -1.220 1
1 643 . 5 1 1 A 106 106 PRO HA H 106 4.470 4.564 -0.094 1
1 650 . 5 1 1 A 106 106 PRO CA C 106 61.800 64.699 -2.899 1
1 651 . 5 1 1 A 106 106 PRO CB C 106 29.000 32.100 -3.100 1
1 654 . 5 1 1 A 107 107 ASP H H 107 8.750 7.416 1.334 1
1 655 . 5 1 1 A 107 107 ASP HA H 107 4.310 4.665 -0.355 1
1 658 . 5 1 1 A 107 107 ASP C C 107 174.000 174.818 -0.818 1
1 659 . 5 1 1 A 107 107 ASP CA C 107 52.200 53.443 -1.243 1
1 660 . 5 1 1 A 107 107 ASP CB C 107 36.800 42.334 -5.534 1
1 661 . 5 1 1 A 107 107 ASP N N 107 114.800 112.416 2.384 1
1 662 . 5 1 1 A 108 108 LEU H H 108 7.270 7.858 -0.588 1
1 663 . 5 1 1 A 108 108 LEU HA H 108 4.030 4.511 -0.481 1
1 673 . 5 1 1 A 108 108 LEU C C 108 173.800 176.148 -2.348 1
1 674 . 5 1 1 A 108 108 LEU CA C 108 52.500 54.703 -2.203 1
1 675 . 5 1 1 A 108 108 LEU CB C 108 40.000 43.875 -3.875 1
1 679 . 5 1 1 A 108 108 LEU N N 108 118.900 119.889 -0.989 1
1 7 . 6 1 1 A 46 46 LEU HA H 46 3.970 4.522 -0.552 1
1 17 . 6 1 1 A 46 46 LEU CA C 46 55.000 54.857 0.143 1
1 18 . 6 1 1 A 46 46 LEU CB C 46 40.300 44.040 -3.740 1
1 22 . 6 1 1 A 47 47 ILE H H 47 7.570 7.461 0.109 1
1 23 . 6 1 1 A 47 47 ILE HA H 47 4.270 3.818 0.452 1
1 33 . 6 1 1 A 47 47 ILE C C 47 174.500 175.634 -1.134 1
1 34 . 6 1 1 A 47 47 ILE CA C 47 54.600 61.337 -6.737 1
1 35 . 6 1 1 A 47 47 ILE CB C 47 34.500 37.895 -3.395 1
1 39 . 6 1 1 A 47 47 ILE N N 47 115.000 122.012 -7.012 1
1 40 . 6 1 1 A 48 48 LEU H H 48 8.760 8.643 0.117 1
1 41 . 6 1 1 A 48 48 LEU HA H 48 4.260 4.411 -0.151 1
1 51 . 6 1 1 A 48 48 LEU C C 48 174.400 176.748 -2.348 1
1 52 . 6 1 1 A 48 48 LEU CA C 48 51.200 53.625 -2.425 1
1 53 . 6 1 1 A 48 48 LEU CB C 48 37.800 40.957 -3.157 1
1 57 . 6 1 1 A 48 48 LEU N N 48 127.400 128.270 -0.870 1
1 58 . 6 1 1 A 49 49 PRO HA H 49 4.170 4.497 -0.327 1
1 63 . 6 1 1 A 49 49 PRO CA C 49 62.500 63.202 -0.702 1
1 64 . 6 1 1 A 49 49 PRO CB C 49 28.900 30.459 -1.559 1
1 67 . 6 1 1 A 50 50 ASN H H 50 7.180 8.243 -1.063 1
1 68 . 6 1 1 A 50 50 ASN HA H 50 4.420 4.858 -0.438 1
1 73 . 6 1 1 A 50 50 ASN C C 50 173.700 175.765 -2.065 1
1 74 . 6 1 1 A 50 50 ASN CA C 50 49.500 52.514 -3.014 1
1 75 . 6 1 1 A 50 50 ASN CB C 50 34.400 39.885 -5.485 1
1 76 . 6 1 1 A 50 50 ASN N N 50 111.000 116.496 -5.496 1
1 78 . 6 1 1 A 51 51 GLY H H 51 8.370 8.015 0.355 1
1 79 . 6 1 1 A 51 51 GLY HA2 H 51 4.220 3.980 0.240 1
1 80 . 6 1 1 A 51 51 GLY HA3 H 51 3.400 4.072 -0.672 1
1 81 . 6 1 1 A 51 51 GLY C C 51 171.500 174.235 -2.735 1
1 82 . 6 1 1 A 51 51 GLY CA C 51 42.200 45.049 -2.849 1
1 83 . 6 1 1 A 51 51 GLY N N 51 108.400 109.456 -1.056 1
1 84 . 6 1 1 A 52 52 ASN H H 52 7.810 7.677 0.133 1
1 85 . 6 1 1 A 52 52 ASN HA H 52 4.670 5.116 -0.446 1
1 90 . 6 1 1 A 52 52 ASN C C 52 170.900 174.834 -3.934 1
1 91 . 6 1 1 A 52 52 ASN CA C 52 49.400 52.526 -3.126 1
1 92 . 6 1 1 A 52 52 ASN CB C 52 36.100 40.124 -4.024 1
1 93 . 6 1 1 A 52 52 ASN N N 52 119.100 119.533 -0.433 1
1 95 . 6 1 1 A 53 53 ILE H H 53 8.070 8.310 -0.240 1
1 96 . 6 1 1 A 53 53 ILE HA H 53 3.470 4.449 -0.979 1
1 106 . 6 1 1 A 53 53 ILE C C 53 172.300 174.565 -2.265 1
1 107 . 6 1 1 A 53 53 ILE CA C 53 59.100 58.891 0.209 1
1 108 . 6 1 1 A 53 53 ILE CB C 53 36.000 40.766 -4.766 1
1 112 . 6 1 1 A 53 53 ILE N N 53 120.100 120.853 -0.753 1
1 113 . 6 1 1 A 54 54 ASN H H 54 8.700 8.502 0.198 1
1 114 . 6 1 1 A 54 54 ASN HA H 54 4.350 4.611 -0.261 1
1 119 . 6 1 1 A 54 54 ASN C C 54 172.300 175.570 -3.270 1
1 120 . 6 1 1 A 54 54 ASN CA C 54 47.500 51.756 -4.256 1
1 121 . 6 1 1 A 54 54 ASN CB C 54 34.200 36.916 -2.716 1
1 122 . 6 1 1 A 54 54 ASN N N 54 123.200 123.226 -0.026 1
1 124 . 6 1 1 A 55 55 TRP H H 55 7.520 7.511 0.009 1
1 125 . 6 1 1 A 55 55 TRP HA H 55 4.300 4.431 -0.131 1
1 134 . 6 1 1 A 55 55 TRP C C 55 172.100 177.892 -5.792 1
1 135 . 6 1 1 A 55 55 TRP CA C 55 55.200 60.072 -4.872 1
1 136 . 6 1 1 A 55 55 TRP CB C 55 26.400 28.573 -2.173 1
1 137 . 6 1 1 A 55 55 TRP N N 55 124.600 124.748 -0.148 1
1 138 . 6 1 1 A 56 56 ASN H H 56 7.380 7.947 -0.567 1
1 139 . 6 1 1 A 56 56 ASN HA H 56 4.720 4.760 -0.040 1
1 144 . 6 1 1 A 56 56 ASN C C 56 172.100 175.770 -3.670 1
1 145 . 6 1 1 A 56 56 ASN CA C 56 49.500 54.092 -4.592 1
1 146 . 6 1 1 A 56 56 ASN CB C 56 36.200 39.061 -2.861 1
1 147 . 6 1 1 A 56 56 ASN N N 56 112.500 116.044 -3.544 1
1 149 . 6 1 1 A 57 57 CYS H H 57 7.460 7.675 -0.215 1
1 150 . 6 1 1 A 57 57 CYS HA H 57 4.280 4.426 -0.146 1
1 153 . 6 1 1 A 57 57 CYS C C 57 173.000 174.834 -1.834 1
1 154 . 6 1 1 A 57 57 CYS CA C 57 54.900 58.426 -3.526 1
1 155 . 6 1 1 A 57 57 CYS CB C 57 25.000 27.270 -2.270 1
1 156 . 6 1 1 A 57 57 CYS N N 57 123.000 119.402 3.598 1
1 157 . 6 1 1 A 58 58 PRO HA H 58 4.200 4.322 -0.122 1
1 162 . 6 1 1 A 58 58 PRO CA C 58 62.700 65.614 -2.914 1
1 163 . 6 1 1 A 58 58 PRO CB C 58 29.300 31.657 -2.357 1
1 166 . 6 1 1 A 59 59 CYS HA H 59 4.390 4.110 0.280 1
1 168 . 6 1 1 A 59 59 CYS CA C 59 57.000 62.708 -5.708 1
1 169 . 6 1 1 A 59 59 CYS CB C 59 24.400 27.474 -3.074 1
1 170 . 6 1 1 A 60 60 LEU H H 60 7.500 8.024 -0.524 1
1 171 . 6 1 1 A 60 60 LEU HA H 60 4.180 4.008 0.172 1
1 181 . 6 1 1 A 60 60 LEU C C 60 175.700 178.842 -3.142 1
1 182 . 6 1 1 A 60 60 LEU CA C 60 52.000 57.734 -5.734 1
1 183 . 6 1 1 A 60 60 LEU CB C 60 39.000 41.851 -2.851 1
1 187 . 6 1 1 A 60 60 LEU N N 60 117.700 121.556 -3.856 1
1 188 . 6 1 1 A 61 61 GLY H H 61 7.880 8.601 -0.721 1
1 189 . 6 1 1 A 61 61 GLY HA2 H 61 3.830 3.766 0.064 1
1 190 . 6 1 1 A 61 61 GLY HA3 H 61 3.680 3.801 -0.121 1
1 191 . 6 1 1 A 61 61 GLY C C 61 172.700 176.390 -3.690 1
1 192 . 6 1 1 A 61 61 GLY CA C 61 44.700 47.089 -2.389 1
1 193 . 6 1 1 A 61 61 GLY N N 61 105.700 106.747 -1.047 1
1 194 . 6 1 1 A 62 62 GLY H H 62 8.580 7.826 0.754 1
1 195 . 6 1 1 A 62 62 GLY HA2 H 62 3.810 3.665 0.145 1
1 196 . 6 1 1 A 62 62 GLY HA3 H 62 3.680 3.669 0.011 1
1 197 . 6 1 1 A 62 62 GLY C C 62 174.000 175.768 -1.768 1
1 198 . 6 1 1 A 62 62 GLY CA C 62 42.800 47.066 -4.266 1
1 199 . 6 1 1 A 62 62 GLY N N 62 108.500 109.841 -1.341 1
1 200 . 6 1 1 A 63 63 MET H H 63 7.460 7.298 0.162 1
1 201 . 6 1 1 A 63 63 MET HA H 63 3.870 3.755 0.115 1
1 206 . 6 1 1 A 63 63 MET C C 63 174.600 177.104 -2.504 1
1 207 . 6 1 1 A 63 63 MET CA C 63 54.400 57.679 -3.279 1
1 208 . 6 1 1 A 63 63 MET CB C 63 27.600 31.221 -3.621 1
1 210 . 6 1 1 A 63 63 MET N N 63 118.500 119.667 -1.167 1
1 211 . 6 1 1 A 64 64 ALA H H 64 8.080 7.386 0.694 1
1 212 . 6 1 1 A 64 64 ALA HA H 64 4.220 4.261 -0.041 1
1 216 . 6 1 1 A 64 64 ALA C C 64 173.800 176.968 -3.168 1
1 217 . 6 1 1 A 64 64 ALA CA C 64 50.400 52.050 -1.650 1
1 218 . 6 1 1 A 64 64 ALA CB C 64 16.500 19.302 -2.802 1
1 219 . 6 1 1 A 64 64 ALA N N 64 117.500 120.093 -2.593 1
1 220 . 6 1 1 A 65 65 SER H H 65 7.460 7.347 0.113 1
1 221 . 6 1 1 A 65 65 SER HA H 65 4.570 4.618 -0.048 1
1 224 . 6 1 1 A 65 65 SER C C 65 171.500 173.770 -2.270 1
1 225 . 6 1 1 A 65 65 SER CA C 65 54.800 57.066 -2.266 1
1 226 . 6 1 1 A 65 65 SER CB C 65 61.800 65.081 -3.281 1
1 227 . 6 1 1 A 65 65 SER N N 65 111.200 114.304 -3.104 1
1 228 . 6 1 1 A 66 66 GLY H H 66 7.480 8.383 -0.903 1
1 229 . 6 1 1 A 66 66 GLY HA2 H 66 3.980 3.854 0.126 1
1 230 . 6 1 1 A 66 66 GLY HA3 H 66 4.030 3.960 0.070 1
1 231 . 6 1 1 A 66 66 GLY C C 66 170.600 173.924 -3.324 1
1 232 . 6 1 1 A 66 66 GLY CA C 66 42.000 44.394 -2.394 1
1 233 . 6 1 1 A 66 66 GLY N N 66 108.800 109.832 -1.032 1
1 234 . 6 1 1 A 67 67 PRO HA H 67 4.210 4.185 0.025 1
1 241 . 6 1 1 A 67 67 PRO CA C 67 62.000 65.235 -3.235 1
1 242 . 6 1 1 A 67 67 PRO CB C 67 28.900 31.133 -2.233 1
1 245 . 6 1 1 A 68 68 CYS H H 68 7.700 7.797 -0.097 1
1 246 . 6 1 1 A 68 68 CYS HA H 68 5.450 4.388 1.062 1
1 249 . 6 1 1 A 68 68 CYS C C 68 173.500 176.297 -2.797 1
1 250 . 6 1 1 A 68 68 CYS CA C 68 49.500 58.781 -9.281 1
1 251 . 6 1 1 A 68 68 CYS CB C 68 36.200 41.705 -5.505 1
1 252 . 6 1 1 A 68 68 CYS N N 68 115.300 114.144 1.156 1
1 253 . 6 1 1 A 69 69 GLY H H 69 7.840 8.284 -0.444 1
1 254 . 6 1 1 A 69 69 GLY HA2 H 69 3.950 3.666 0.284 1
1 255 . 6 1 1 A 69 69 GLY HA3 H 69 3.550 3.697 -0.147 1
1 256 . 6 1 1 A 69 69 GLY C C 69 173.300 175.854 -2.554 1
1 257 . 6 1 1 A 69 69 GLY CA C 69 45.200 47.270 -2.070 1
1 258 . 6 1 1 A 69 69 GLY N N 69 110.200 109.511 0.689 1
1 259 . 6 1 1 A 70 70 GLU H H 70 8.650 8.816 -0.166 1
1 260 . 6 1 1 A 70 70 GLU HA H 70 3.760 3.929 -0.169 1
1 265 . 6 1 1 A 70 70 GLU C C 70 176.800 178.487 -1.687 1
1 266 . 6 1 1 A 70 70 GLU CA C 70 56.300 58.727 -2.427 1
1 267 . 6 1 1 A 70 70 GLU CB C 70 26.000 28.052 -2.052 1
1 269 . 6 1 1 A 70 70 GLU N N 70 120.000 120.737 -0.737 1
1 270 . 6 1 1 A 71 71 GLN H H 71 8.860 7.962 0.898 1
1 271 . 6 1 1 A 71 71 GLN HA H 71 3.850 4.020 -0.170 1
1 278 . 6 1 1 A 71 71 GLN C C 71 177.400 178.430 -1.030 1
1 279 . 6 1 1 A 71 71 GLN CA C 71 57.200 58.581 -1.381 1
1 280 . 6 1 1 A 71 71 GLN CB C 71 24.400 28.662 -4.262 1
1 282 . 6 1 1 A 71 71 GLN N N 71 120.800 118.852 1.948 1
1 284 . 6 1 1 A 72 72 PHE H H 72 8.890 7.818 1.072 1
1 285 . 6 1 1 A 72 72 PHE HA H 72 4.200 3.991 0.209 1
1 291 . 6 1 1 A 72 72 PHE C C 72 173.500 177.512 -4.012 1
1 292 . 6 1 1 A 72 72 PHE CA C 72 59.000 61.430 -2.430 1
1 293 . 6 1 1 A 72 72 PHE CB C 72 36.000 39.170 -3.170 1
1 294 . 6 1 1 A 72 72 PHE N N 72 123.400 121.099 2.301 1
1 295 . 6 1 1 A 73 73 LYS H H 73 8.480 8.180 0.300 1
1 296 . 6 1 1 A 73 73 LYS HA H 73 3.430 3.522 -0.092 1
1 304 . 6 1 1 A 73 73 LYS C C 73 177.600 178.658 -1.058 1
1 305 . 6 1 1 A 73 73 LYS CA C 73 56.700 59.358 -2.658 1
1 306 . 6 1 1 A 73 73 LYS CB C 73 29.600 32.051 -2.451 1
1 310 . 6 1 1 A 73 73 LYS N N 73 119.900 118.522 1.378 1
1 311 . 6 1 1 A 74 74 SER H H 74 7.780 7.675 0.105 1
1 312 . 6 1 1 A 74 74 SER HA H 74 4.120 4.078 0.042 1
1 315 . 6 1 1 A 74 74 SER C C 74 174.300 177.263 -2.963 1
1 316 . 6 1 1 A 74 74 SER CA C 74 58.700 61.490 -2.790 1
1 317 . 6 1 1 A 74 74 SER CB C 74 59.900 62.857 -2.957 1
1 318 . 6 1 1 A 74 74 SER N N 74 114.200 114.287 -0.087 1
1 319 . 6 1 1 A 75 75 ALA H H 75 7.870 7.884 -0.014 1
1 320 . 6 1 1 A 75 75 ALA HA H 75 3.840 3.843 -0.003 1
1 324 . 6 1 1 A 75 75 ALA C C 75 175.100 180.055 -4.955 1
1 325 . 6 1 1 A 75 75 ALA CA C 75 53.200 54.681 -1.481 1
1 326 . 6 1 1 A 75 75 ALA CB C 75 15.500 18.066 -2.566 1
1 327 . 6 1 1 A 75 75 ALA N N 75 123.100 122.578 0.522 1
1 328 . 6 1 1 A 76 76 PHE H H 76 9.450 7.750 1.700 1
1 329 . 6 1 1 A 76 76 PHE HA H 76 3.700 4.397 -0.697 1
1 334 . 6 1 1 A 76 76 PHE C C 76 174.600 178.468 -3.868 1
1 335 . 6 1 1 A 76 76 PHE CA C 76 59.600 60.973 -1.373 1
1 336 . 6 1 1 A 76 76 PHE CB C 76 35.800 38.397 -2.597 1
1 337 . 6 1 1 A 76 76 PHE N N 76 118.800 116.128 2.672 1
1 338 . 6 1 1 A 77 77 SER H H 77 8.550 8.494 0.056 1
1 339 . 6 1 1 A 77 77 SER HA H 77 4.130 4.212 -0.082 1
1 341 . 6 1 1 A 77 77 SER C C 77 172.200 176.004 -3.804 1
1 342 . 6 1 1 A 77 77 SER CA C 77 60.100 62.041 -1.941 1
1 343 . 6 1 1 A 77 77 SER CB C 77 59.800 62.451 -2.651 1
1 344 . 6 1 1 A 77 77 SER N N 77 113.200 115.118 -1.918 1
1 345 . 6 1 1 A 78 78 CYS H H 78 7.430 8.230 -0.800 1
1 346 . 6 1 1 A 78 78 CYS HA H 78 4.080 4.067 0.013 1
1 349 . 6 1 1 A 78 78 CYS C C 78 174.000 176.152 -2.152 1
1 350 . 6 1 1 A 78 78 CYS CA C 78 57.900 60.401 -2.501 1
1 351 . 6 1 1 A 78 78 CYS CB C 78 36.400 40.507 -4.107 1
1 352 . 6 1 1 A 78 78 CYS N N 78 118.900 120.110 -1.210 1
1 353 . 6 1 1 A 79 79 PHE H H 79 8.270 8.333 -0.063 1
1 354 . 6 1 1 A 79 79 PHE HA H 79 3.740 4.213 -0.473 1
1 359 . 6 1 1 A 79 79 PHE C C 79 173.600 177.424 -3.824 1
1 360 . 6 1 1 A 79 79 PHE CA C 79 59.200 61.769 -2.569 1
1 361 . 6 1 1 A 79 79 PHE CB C 79 37.000 39.115 -2.115 1
1 362 . 6 1 1 A 79 79 PHE N N 79 120.400 121.758 -1.358 1
1 363 . 6 1 1 A 80 80 HIS H H 80 8.840 8.229 0.611 1
1 364 . 6 1 1 A 80 80 HIS HA H 80 3.460 4.121 -0.661 1
1 368 . 6 1 1 A 80 80 HIS C C 80 175.700 176.464 -0.764 1
1 369 . 6 1 1 A 80 80 HIS CA C 80 57.000 59.892 -2.892 1
1 370 . 6 1 1 A 80 80 HIS CB C 80 28.300 30.442 -2.142 1
1 371 . 6 1 1 A 80 80 HIS N N 80 118.400 118.556 -0.156 1
1 372 . 6 1 1 A 81 81 TYR H H 81 7.710 8.693 -0.983 1
1 373 . 6 1 1 A 81 81 TYR HA H 81 4.080 3.885 0.195 1
1 378 . 6 1 1 A 81 81 TYR C C 81 172.400 177.020 -4.620 1
1 379 . 6 1 1 A 81 81 TYR CA C 81 56.100 61.835 -5.735 1
1 380 . 6 1 1 A 81 81 TYR CB C 81 34.800 37.542 -2.742 1
1 381 . 6 1 1 A 81 81 TYR N N 81 113.400 117.314 -3.914 1
1 382 . 6 1 1 A 82 82 SER H H 82 7.070 7.847 -0.777 1
1 383 . 6 1 1 A 82 82 SER HA H 82 4.410 4.509 -0.099 1
1 386 . 6 1 1 A 82 82 SER C C 82 174.500 174.411 0.089 1
1 387 . 6 1 1 A 82 82 SER CA C 82 56.300 58.292 -1.992 1
1 388 . 6 1 1 A 82 82 SER CB C 82 59.200 63.729 -4.529 1
1 389 . 6 1 1 A 82 82 SER N N 82 115.600 113.824 1.776 1
1 390 . 6 1 1 A 83 83 THR H H 83 9.290 7.940 1.350 1
1 391 . 6 1 1 A 83 83 THR HA H 83 4.400 3.881 0.519 1
1 396 . 6 1 1 A 83 83 THR C C 83 172.200 173.085 -0.885 1
1 397 . 6 1 1 A 83 83 THR CA C 83 57.500 62.772 -5.272 1
1 398 . 6 1 1 A 83 83 THR CB C 83 65.800 66.391 -0.591 1
1 400 . 6 1 1 A 83 83 THR N N 83 120.400 115.240 5.160 1
1 401 . 6 1 1 A 84 84 GLU H H 84 7.170 7.809 -0.639 1
1 402 . 6 1 1 A 84 84 GLU HA H 84 3.860 4.627 -0.767 1
1 406 . 6 1 1 A 84 84 GLU C C 84 173.300 176.424 -3.124 1
1 407 . 6 1 1 A 84 84 GLU CA C 84 53.100 56.287 -3.187 1
1 408 . 6 1 1 A 84 84 GLU CB C 84 28.400 30.246 -1.846 1
1 410 . 6 1 1 A 84 84 GLU N N 84 121.600 120.961 0.639 1
1 411 . 6 1 1 A 85 85 GLU H H 85 8.390 8.031 0.359 1
1 412 . 6 1 1 A 85 85 GLU HA H 85 3.730 4.668 -0.938 1
1 417 . 6 1 1 A 85 85 GLU C C 85 175.500 175.901 -0.401 1
1 418 . 6 1 1 A 85 85 GLU CA C 85 56.700 58.038 -1.338 1
1 419 . 6 1 1 A 85 85 GLU CB C 85 26.900 31.760 -4.860 1
1 421 . 6 1 1 A 85 85 GLU N N 85 121.800 117.178 4.622 1
1 422 . 6 1 1 A 86 86 ILE H H 86 8.060 8.070 -0.010 1
1 423 . 6 1 1 A 86 86 ILE HA H 86 4.060 4.019 0.041 1
1 433 . 6 1 1 A 86 86 ILE C C 86 172.400 175.594 -3.194 1
1 434 . 6 1 1 A 86 86 ILE CA C 86 56.800 61.659 -4.859 1
1 435 . 6 1 1 A 86 86 ILE CB C 86 32.700 38.005 -5.305 1
1 439 . 6 1 1 A 86 86 ILE N N 86 117.800 120.728 -2.928 1
1 440 . 6 1 1 A 87 87 LYS H H 87 8.200 8.515 -0.315 1
1 441 . 6 1 1 A 87 87 LYS HA H 87 3.470 2.380 1.090 1
1 450 . 6 1 1 A 87 87 LYS C C 87 175.200 176.710 -1.510 1
1 451 . 6 1 1 A 87 87 LYS CA C 87 56.800 57.844 -1.044 1
1 452 . 6 1 1 A 87 87 LYS CB C 87 30.300 31.641 -1.341 1
1 456 . 6 1 1 A 87 87 LYS N N 87 130.300 126.335 3.965 1
1 457 . 6 1 1 A 88 88 GLY H H 88 8.820 8.287 0.533 1
1 458 . 6 1 1 A 88 88 GLY HA2 H 88 4.440 2.744 1.696 1
1 459 . 6 1 1 A 88 88 GLY HA3 H 88 3.560 3.594 -0.034 1
1 460 . 6 1 1 A 88 88 GLY C C 88 172.800 175.118 -2.318 1
1 461 . 6 1 1 A 88 88 GLY CA C 88 42.800 45.102 -2.302 1
1 462 . 6 1 1 A 88 88 GLY N N 88 110.400 113.317 -2.917 1
1 463 . 6 1 1 A 89 89 SER H H 89 8.570 8.146 0.424 1
1 464 . 6 1 1 A 89 89 SER HA H 89 4.040 4.113 -0.073 1
1 467 . 6 1 1 A 89 89 SER C C 89 171.300 174.831 -3.531 1
1 468 . 6 1 1 A 89 89 SER CA C 89 58.200 61.465 -3.265 1
1 469 . 6 1 1 A 89 89 SER CB C 89 59.200 62.656 -3.456 1
1 470 . 6 1 1 A 89 89 SER N N 89 118.000 115.574 2.426 1
1 471 . 6 1 1 A 90 90 ASP H H 90 10.480 8.222 2.258 1
1 472 . 6 1 1 A 90 90 ASP HA H 90 4.580 4.781 -0.201 1
1 475 . 6 1 1 A 90 90 ASP C C 90 173.500 177.055 -3.555 1
1 476 . 6 1 1 A 90 90 ASP CA C 90 50.500 53.084 -2.584 1
1 477 . 6 1 1 A 90 90 ASP CB C 90 34.900 40.974 -6.074 1
1 478 . 6 1 1 A 90 90 ASP N N 90 116.400 119.088 -2.688 1
1 479 . 6 1 1 A 91 91 CYS H H 91 7.420 7.821 -0.401 1
1 480 . 6 1 1 A 91 91 CYS HA H 91 5.180 5.005 0.175 1
1 483 . 6 1 1 A 91 91 CYS C C 91 172.800 174.130 -1.330 1
1 484 . 6 1 1 A 91 91 CYS CA C 91 50.600 55.853 -5.253 1
1 485 . 6 1 1 A 91 91 CYS CB C 91 38.000 43.662 -5.662 1
1 486 . 6 1 1 A 91 91 CYS N N 91 117.300 118.316 -1.016 1
1 487 . 6 1 1 A 92 92 VAL H H 92 7.320 7.541 -0.221 1
1 488 . 6 1 1 A 92 92 VAL HA H 92 3.470 3.568 -0.098 1
1 496 . 6 1 1 A 92 92 VAL C C 92 175.700 177.786 -2.086 1
1 497 . 6 1 1 A 92 92 VAL CA C 92 64.000 66.230 -2.230 1
1 498 . 6 1 1 A 92 92 VAL CB C 92 29.300 31.508 -2.208 1
1 501 . 6 1 1 A 92 92 VAL N N 92 120.500 122.128 -1.628 1
1 502 . 6 1 1 A 93 93 ASP H H 93 8.870 8.314 0.556 1
1 503 . 6 1 1 A 93 93 ASP HA H 93 4.280 4.313 -0.033 1
1 505 . 6 1 1 A 93 93 ASP C C 93 176.500 178.690 -2.190 1
1 506 . 6 1 1 A 93 93 ASP CA C 93 55.100 57.600 -2.500 1
1 507 . 6 1 1 A 93 93 ASP CB C 93 36.800 41.762 -4.962 1
1 508 . 6 1 1 A 93 93 ASP N N 93 120.500 120.458 0.042 1
1 509 . 6 1 1 A 94 94 GLN H H 94 9.140 8.099 1.041 1
1 510 . 6 1 1 A 94 94 GLN HA H 94 3.920 4.056 -0.136 1
1 517 . 6 1 1 A 94 94 GLN C C 94 178.100 179.193 -1.093 1
1 518 . 6 1 1 A 94 94 GLN CA C 94 57.100 58.962 -1.862 1
1 519 . 6 1 1 A 94 94 GLN CB C 94 24.500 28.511 -4.011 1
1 521 . 6 1 1 A 94 94 GLN N N 94 121.800 117.829 3.971 1
1 523 . 6 1 1 A 95 95 PHE H H 95 8.920 8.304 0.616 1
1 524 . 6 1 1 A 95 95 PHE HA H 95 4.130 4.163 -0.033 1
1 529 . 6 1 1 A 95 95 PHE C C 95 175.100 178.173 -3.073 1
1 530 . 6 1 1 A 95 95 PHE CA C 95 57.500 60.869 -3.369 1
1 531 . 6 1 1 A 95 95 PHE CB C 95 34.500 38.391 -3.891 1
1 532 . 6 1 1 A 95 95 PHE N N 95 122.500 119.747 2.753 1
1 533 . 6 1 1 A 96 96 ARG H H 96 8.500 8.310 0.190 1
1 534 . 6 1 1 A 96 96 ARG HA H 96 4.040 4.015 0.025 1
1 540 . 6 1 1 A 96 96 ARG C C 96 175.700 178.129 -2.429 1
1 541 . 6 1 1 A 96 96 ARG CA C 96 56.800 59.769 -2.969 1
1 542 . 6 1 1 A 96 96 ARG CB C 96 26.800 29.771 -2.971 1
1 545 . 6 1 1 A 96 96 ARG N N 96 121.600 120.508 1.092 1
1 546 . 6 1 1 A 97 97 ALA H H 97 7.960 8.553 -0.593 1
1 547 . 6 1 1 A 97 97 ALA HA H 97 4.110 4.109 0.001 1
1 551 . 6 1 1 A 97 97 ALA C C 97 178.600 180.015 -1.415 1
1 552 . 6 1 1 A 97 97 ALA CA C 97 52.100 55.300 -3.200 1
1 553 . 6 1 1 A 97 97 ALA CB C 97 15.200 17.952 -2.752 1
1 554 . 6 1 1 A 97 97 ALA N N 97 120.300 121.487 -1.187 1
1 555 . 6 1 1 A 98 98 MET H H 98 7.600 8.530 -0.930 1
1 556 . 6 1 1 A 98 98 MET HA H 98 3.830 4.227 -0.397 1
1 559 . 6 1 1 A 98 98 MET C C 98 173.900 178.645 -4.745 1
1 560 . 6 1 1 A 98 98 MET CA C 98 56.400 57.998 -1.598 1
1 561 . 6 1 1 A 98 98 MET CB C 98 30.100 32.687 -2.587 1
1 563 . 6 1 1 A 98 98 MET N N 98 118.400 116.329 2.071 1
1 564 . 6 1 1 A 99 99 GLN H H 99 8.410 7.483 0.927 1
1 565 . 6 1 1 A 99 99 GLN HA H 99 3.800 4.198 -0.398 1
1 569 . 6 1 1 A 99 99 GLN C C 99 173.400 178.771 -5.371 1
1 570 . 6 1 1 A 99 99 GLN CA C 99 56.800 58.948 -2.148 1
1 571 . 6 1 1 A 99 99 GLN CB C 99 25.900 28.639 -2.739 1
1 573 . 6 1 1 A 99 99 GLN N N 99 120.800 120.727 0.073 1
1 574 . 6 1 1 A 100 100 GLU H H 100 8.510 8.634 -0.124 1
1 575 . 6 1 1 A 100 100 GLU HA H 100 3.820 4.001 -0.181 1
1 580 . 6 1 1 A 100 100 GLU C C 100 175.900 178.668 -2.768 1
1 581 . 6 1 1 A 100 100 GLU CA C 100 56.500 59.521 -3.021 1
1 582 . 6 1 1 A 100 100 GLU CB C 100 26.900 28.951 -2.051 1
1 584 . 6 1 1 A 100 100 GLU N N 100 117.600 117.759 -0.159 1
1 585 . 6 1 1 A 101 101 CYS H H 101 7.310 7.808 -0.498 1
1 586 . 6 1 1 A 101 101 CYS HA H 101 4.230 4.187 0.043 1
1 589 . 6 1 1 A 101 101 CYS C C 101 173.800 176.748 -2.948 1
1 590 . 6 1 1 A 101 101 CYS CA C 101 57.800 59.589 -1.789 1
1 591 . 6 1 1 A 101 101 CYS CB C 101 36.500 41.803 -5.303 1
1 592 . 6 1 1 A 101 101 CYS N N 101 117.800 119.299 -1.499 1
1 593 . 6 1 1 A 102 102 MET H H 102 8.400 8.483 -0.083 1
1 594 . 6 1 1 A 102 102 MET HA H 102 3.820 4.492 -0.672 1
1 599 . 6 1 1 A 102 102 MET C C 102 177.100 177.403 -0.303 1
1 600 . 6 1 1 A 102 102 MET CA C 102 57.100 57.010 0.090 1
1 601 . 6 1 1 A 102 102 MET CB C 102 30.200 31.871 -1.671 1
1 603 . 6 1 1 A 102 102 MET N N 102 119.100 119.506 -0.406 1
1 604 . 6 1 1 A 103 103 GLN H H 103 7.850 8.131 -0.281 1
1 605 . 6 1 1 A 103 103 GLN HA H 103 3.960 4.277 -0.317 1
1 612 . 6 1 1 A 103 103 GLN C C 103 174.000 177.059 -3.059 1
1 613 . 6 1 1 A 103 103 GLN CA C 103 55.000 57.551 -2.551 1
1 614 . 6 1 1 A 103 103 GLN CB C 103 25.900 29.393 -3.493 1
1 616 . 6 1 1 A 103 103 GLN N N 103 117.200 116.815 0.385 1
1 618 . 6 1 1 A 104 104 LYS H H 104 7.470 7.549 -0.079 1
1 619 . 6 1 1 A 104 104 LYS HA H 104 3.880 4.115 -0.235 1
1 626 . 6 1 1 A 104 104 LYS C C 104 173.200 175.798 -2.598 1
1 627 . 6 1 1 A 104 104 LYS CA C 104 54.600 57.939 -3.339 1
1 628 . 6 1 1 A 104 104 LYS CB C 104 29.600 32.870 -3.270 1
1 632 . 6 1 1 A 104 104 LYS N N 104 116.700 117.962 -1.262 1
1 633 . 6 1 1 A 105 105 TYR H H 105 7.390 7.460 -0.070 1
1 634 . 6 1 1 A 105 105 TYR HA H 105 5.040 5.056 -0.016 1
1 639 . 6 1 1 A 105 105 TYR C C 105 170.800 174.805 -4.005 1
1 640 . 6 1 1 A 105 105 TYR CA C 105 52.300 55.056 -2.756 1
1 641 . 6 1 1 A 105 105 TYR CB C 105 36.700 38.916 -2.216 1
1 642 . 6 1 1 A 105 105 TYR N N 105 115.700 117.922 -2.222 1
1 643 . 6 1 1 A 106 106 PRO HA H 106 4.470 4.511 -0.041 1
1 650 . 6 1 1 A 106 106 PRO CA C 106 61.800 65.101 -3.301 1
1 651 . 6 1 1 A 106 106 PRO CB C 106 29.000 31.759 -2.759 1
1 654 . 6 1 1 A 107 107 ASP H H 107 8.750 7.843 0.907 1
1 655 . 6 1 1 A 107 107 ASP HA H 107 4.310 4.450 -0.140 1
1 658 . 6 1 1 A 107 107 ASP C C 107 174.000 175.748 -1.748 1
1 659 . 6 1 1 A 107 107 ASP CA C 107 52.200 52.825 -0.625 1
1 660 . 6 1 1 A 107 107 ASP CB C 107 36.800 42.726 -5.926 1
1 661 . 6 1 1 A 107 107 ASP N N 107 114.800 115.786 -0.986 1
1 662 . 6 1 1 A 108 108 LEU H H 108 7.270 7.698 -0.428 1
1 663 . 6 1 1 A 108 108 LEU HA H 108 4.030 3.990 0.040 1
1 673 . 6 1 1 A 108 108 LEU C C 108 173.800 177.416 -3.616 1
1 674 . 6 1 1 A 108 108 LEU CA C 108 52.500 56.716 -4.216 1
1 675 . 6 1 1 A 108 108 LEU CB C 108 40.000 41.502 -1.502 1
1 679 . 6 1 1 A 108 108 LEU N N 108 118.900 118.083 0.817 1
1 7 . 7 1 1 A 46 46 LEU HA H 46 3.970 4.362 -0.392 1
1 17 . 7 1 1 A 46 46 LEU CA C 46 55.000 55.111 -0.111 1
1 18 . 7 1 1 A 46 46 LEU CB C 46 40.300 42.565 -2.265 1
1 22 . 7 1 1 A 47 47 ILE H H 47 7.570 7.608 -0.038 1
1 23 . 7 1 1 A 47 47 ILE HA H 47 4.270 4.331 -0.061 1
1 33 . 7 1 1 A 47 47 ILE C C 47 174.500 175.153 -0.653 1
1 34 . 7 1 1 A 47 47 ILE CA C 47 54.600 59.717 -5.117 1
1 35 . 7 1 1 A 47 47 ILE CB C 47 34.500 39.220 -4.720 1
1 39 . 7 1 1 A 47 47 ILE N N 47 115.000 120.705 -5.705 1
1 40 . 7 1 1 A 48 48 LEU H H 48 8.760 9.202 -0.442 1
1 41 . 7 1 1 A 48 48 LEU HA H 48 4.260 4.477 -0.217 1
1 51 . 7 1 1 A 48 48 LEU C C 48 174.400 176.798 -2.398 1
1 52 . 7 1 1 A 48 48 LEU CA C 48 51.200 52.811 -1.611 1
1 53 . 7 1 1 A 48 48 LEU CB C 48 37.800 41.575 -3.775 1
1 57 . 7 1 1 A 48 48 LEU N N 48 127.400 127.320 0.080 1
1 58 . 7 1 1 A 49 49 PRO HA H 49 4.170 4.432 -0.262 1
1 63 . 7 1 1 A 49 49 PRO CA C 49 62.500 64.597 -2.097 1
1 64 . 7 1 1 A 49 49 PRO CB C 49 28.900 31.755 -2.855 1
1 67 . 7 1 1 A 50 50 ASN H H 50 7.180 7.845 -0.665 1
1 68 . 7 1 1 A 50 50 ASN HA H 50 4.420 4.623 -0.203 1
1 73 . 7 1 1 A 50 50 ASN C C 50 173.700 176.528 -2.828 1
1 74 . 7 1 1 A 50 50 ASN CA C 50 49.500 52.238 -2.738 1
1 75 . 7 1 1 A 50 50 ASN CB C 50 34.400 37.722 -3.322 1
1 76 . 7 1 1 A 50 50 ASN N N 50 111.000 112.819 -1.819 1
1 78 . 7 1 1 A 51 51 GLY H H 51 8.370 8.347 0.023 1
1 79 . 7 1 1 A 51 51 GLY HA2 H 51 4.220 3.906 0.314 1
1 80 . 7 1 1 A 51 51 GLY HA3 H 51 3.400 3.948 -0.548 1
1 81 . 7 1 1 A 51 51 GLY C C 51 171.500 173.793 -2.293 1
1 82 . 7 1 1 A 51 51 GLY CA C 51 42.200 45.400 -3.200 1
1 83 . 7 1 1 A 51 51 GLY N N 51 108.400 109.201 -0.801 1
1 84 . 7 1 1 A 52 52 ASN H H 52 7.810 8.108 -0.298 1
1 85 . 7 1 1 A 52 52 ASN HA H 52 4.670 4.907 -0.237 1
1 90 . 7 1 1 A 52 52 ASN C C 52 170.900 174.612 -3.712 1
1 91 . 7 1 1 A 52 52 ASN CA C 52 49.400 52.551 -3.151 1
1 92 . 7 1 1 A 52 52 ASN CB C 52 36.100 40.224 -4.124 1
1 93 . 7 1 1 A 52 52 ASN N N 52 119.100 119.706 -0.606 1
1 95 . 7 1 1 A 53 53 ILE H H 53 8.070 8.254 -0.184 1
1 96 . 7 1 1 A 53 53 ILE HA H 53 3.470 4.128 -0.658 1
1 106 . 7 1 1 A 53 53 ILE C C 53 172.300 174.437 -2.137 1
1 107 . 7 1 1 A 53 53 ILE CA C 53 59.100 59.667 -0.567 1
1 108 . 7 1 1 A 53 53 ILE CB C 53 36.000 38.608 -2.608 1
1 112 . 7 1 1 A 53 53 ILE N N 53 120.100 123.513 -3.413 1
1 113 . 7 1 1 A 54 54 ASN H H 54 8.700 8.402 0.298 1
1 114 . 7 1 1 A 54 54 ASN HA H 54 4.350 4.617 -0.267 1
1 119 . 7 1 1 A 54 54 ASN C C 54 172.300 175.401 -3.101 1
1 120 . 7 1 1 A 54 54 ASN CA C 54 47.500 51.774 -4.274 1
1 121 . 7 1 1 A 54 54 ASN CB C 54 34.200 38.029 -3.829 1
1 122 . 7 1 1 A 54 54 ASN N N 54 123.200 124.268 -1.068 1
1 124 . 7 1 1 A 55 55 TRP H H 55 7.520 7.862 -0.342 1
1 125 . 7 1 1 A 55 55 TRP HA H 55 4.300 4.742 -0.442 1
1 134 . 7 1 1 A 55 55 TRP C C 55 172.100 177.534 -5.434 1
1 135 . 7 1 1 A 55 55 TRP CA C 55 55.200 57.398 -2.198 1
1 136 . 7 1 1 A 55 55 TRP CB C 55 26.400 28.915 -2.515 1
1 137 . 7 1 1 A 55 55 TRP N N 55 124.600 125.688 -1.088 1
1 138 . 7 1 1 A 56 56 ASN H H 56 7.380 7.764 -0.384 1
1 139 . 7 1 1 A 56 56 ASN HA H 56 4.720 4.979 -0.259 1
1 144 . 7 1 1 A 56 56 ASN C C 56 172.100 175.189 -3.089 1
1 145 . 7 1 1 A 56 56 ASN CA C 56 49.500 53.205 -3.705 1
1 146 . 7 1 1 A 56 56 ASN CB C 56 36.200 40.553 -4.353 1
1 147 . 7 1 1 A 56 56 ASN N N 56 112.500 114.639 -2.139 1
1 149 . 7 1 1 A 57 57 CYS H H 57 7.460 7.587 -0.127 1
1 150 . 7 1 1 A 57 57 CYS HA H 57 4.280 4.447 -0.167 1
1 153 . 7 1 1 A 57 57 CYS C C 57 173.000 174.573 -1.573 1
1 154 . 7 1 1 A 57 57 CYS CA C 57 54.900 58.758 -3.858 1
1 155 . 7 1 1 A 57 57 CYS CB C 57 25.000 27.395 -2.395 1
1 156 . 7 1 1 A 57 57 CYS N N 57 123.000 120.134 2.866 1
1 157 . 7 1 1 A 58 58 PRO HA H 58 4.200 4.624 -0.424 1
1 162 . 7 1 1 A 58 58 PRO CA C 58 62.700 62.748 -0.048 1
1 163 . 7 1 1 A 58 58 PRO CB C 58 29.300 29.539 -0.239 1
1 166 . 7 1 1 A 59 59 CYS HA H 59 4.390 4.659 -0.269 1
1 168 . 7 1 1 A 59 59 CYS CA C 59 57.000 60.482 -3.482 1
1 169 . 7 1 1 A 59 59 CYS CB C 59 24.400 28.972 -4.572 1
1 170 . 7 1 1 A 60 60 LEU H H 60 7.500 8.165 -0.665 1
1 171 . 7 1 1 A 60 60 LEU HA H 60 4.180 4.140 0.040 1
1 181 . 7 1 1 A 60 60 LEU C C 60 175.700 178.803 -3.103 1
1 182 . 7 1 1 A 60 60 LEU CA C 60 52.000 57.934 -5.934 1
1 183 . 7 1 1 A 60 60 LEU CB C 60 39.000 41.988 -2.988 1
1 187 . 7 1 1 A 60 60 LEU N N 60 117.700 122.391 -4.691 1
1 188 . 7 1 1 A 61 61 GLY H H 61 7.880 8.423 -0.543 1
1 189 . 7 1 1 A 61 61 GLY HA2 H 61 3.830 3.827 0.003 1
1 190 . 7 1 1 A 61 61 GLY HA3 H 61 3.680 3.957 -0.277 1
1 191 . 7 1 1 A 61 61 GLY C C 61 172.700 175.997 -3.297 1
1 192 . 7 1 1 A 61 61 GLY CA C 61 44.700 47.447 -2.747 1
1 193 . 7 1 1 A 61 61 GLY N N 61 105.700 106.919 -1.219 1
1 194 . 7 1 1 A 62 62 GLY H H 62 8.580 8.495 0.085 1
1 195 . 7 1 1 A 62 62 GLY HA2 H 62 3.810 3.852 -0.042 1
1 196 . 7 1 1 A 62 62 GLY HA3 H 62 3.680 3.854 -0.174 1
1 197 . 7 1 1 A 62 62 GLY C C 62 174.000 175.880 -1.880 1
1 198 . 7 1 1 A 62 62 GLY CA C 62 42.800 47.079 -4.279 1
1 199 . 7 1 1 A 62 62 GLY N N 62 108.500 109.889 -1.389 1
1 200 . 7 1 1 A 63 63 MET H H 63 7.460 7.911 -0.451 1
1 201 . 7 1 1 A 63 63 MET HA H 63 3.870 3.944 -0.074 1
1 206 . 7 1 1 A 63 63 MET C C 63 174.600 177.312 -2.712 1
1 207 . 7 1 1 A 63 63 MET CA C 63 54.400 58.022 -3.622 1
1 208 . 7 1 1 A 63 63 MET CB C 63 27.600 32.132 -4.532 1
1 210 . 7 1 1 A 63 63 MET N N 63 118.500 120.879 -2.379 1
1 211 . 7 1 1 A 64 64 ALA H H 64 8.080 7.470 0.610 1
1 212 . 7 1 1 A 64 64 ALA HA H 64 4.220 4.497 -0.277 1
1 216 . 7 1 1 A 64 64 ALA C C 64 173.800 176.331 -2.531 1
1 217 . 7 1 1 A 64 64 ALA CA C 64 50.400 51.863 -1.463 1
1 218 . 7 1 1 A 64 64 ALA CB C 64 16.500 19.487 -2.987 1
1 219 . 7 1 1 A 64 64 ALA N N 64 117.500 120.463 -2.963 1
1 220 . 7 1 1 A 65 65 SER H H 65 7.460 7.498 -0.038 1
1 221 . 7 1 1 A 65 65 SER HA H 65 4.570 4.746 -0.176 1
1 224 . 7 1 1 A 65 65 SER C C 65 171.500 174.019 -2.519 1
1 225 . 7 1 1 A 65 65 SER CA C 65 54.800 56.669 -1.869 1
1 226 . 7 1 1 A 65 65 SER CB C 65 61.800 65.518 -3.718 1
1 227 . 7 1 1 A 65 65 SER N N 65 111.200 114.128 -2.928 1
1 228 . 7 1 1 A 66 66 GLY H H 66 7.480 8.511 -1.031 1
1 229 . 7 1 1 A 66 66 GLY HA2 H 66 3.980 3.878 0.102 1
1 230 . 7 1 1 A 66 66 GLY HA3 H 66 4.030 3.992 0.038 1
1 231 . 7 1 1 A 66 66 GLY C C 66 170.600 173.926 -3.326 1
1 232 . 7 1 1 A 66 66 GLY CA C 66 42.000 44.433 -2.433 1
1 233 . 7 1 1 A 66 66 GLY N N 66 108.800 113.161 -4.361 1
1 234 . 7 1 1 A 67 67 PRO HA H 67 4.210 4.245 -0.035 1
1 241 . 7 1 1 A 67 67 PRO CA C 67 62.000 65.121 -3.121 1
1 242 . 7 1 1 A 67 67 PRO CB C 67 28.900 31.658 -2.758 1
1 245 . 7 1 1 A 68 68 CYS H H 68 7.700 7.894 -0.194 1
1 246 . 7 1 1 A 68 68 CYS HA H 68 5.450 4.404 1.046 1
1 249 . 7 1 1 A 68 68 CYS C C 68 173.500 176.210 -2.710 1
1 250 . 7 1 1 A 68 68 CYS CA C 68 49.500 58.587 -9.087 1
1 251 . 7 1 1 A 68 68 CYS CB C 68 36.200 41.743 -5.543 1
1 252 . 7 1 1 A 68 68 CYS N N 68 115.300 114.202 1.098 1
1 253 . 7 1 1 A 69 69 GLY H H 69 7.840 7.976 -0.136 1
1 254 . 7 1 1 A 69 69 GLY HA2 H 69 3.950 3.661 0.289 1
1 255 . 7 1 1 A 69 69 GLY HA3 H 69 3.550 3.702 -0.152 1
1 256 . 7 1 1 A 69 69 GLY C C 69 173.300 175.826 -2.526 1
1 257 . 7 1 1 A 69 69 GLY CA C 69 45.200 47.272 -2.072 1
1 258 . 7 1 1 A 69 69 GLY N N 69 110.200 109.576 0.624 1
1 259 . 7 1 1 A 70 70 GLU H H 70 8.650 8.594 0.056 1
1 260 . 7 1 1 A 70 70 GLU HA H 70 3.760 4.001 -0.241 1
1 265 . 7 1 1 A 70 70 GLU C C 70 176.800 178.240 -1.440 1
1 266 . 7 1 1 A 70 70 GLU CA C 70 56.300 59.194 -2.894 1
1 267 . 7 1 1 A 70 70 GLU CB C 70 26.000 29.113 -3.113 1
1 269 . 7 1 1 A 70 70 GLU N N 70 120.000 121.568 -1.568 1
1 270 . 7 1 1 A 71 71 GLN H H 71 8.860 7.368 1.492 1
1 271 . 7 1 1 A 71 71 GLN HA H 71 3.850 4.169 -0.319 1
1 278 . 7 1 1 A 71 71 GLN C C 71 177.400 178.281 -0.881 1
1 279 . 7 1 1 A 71 71 GLN CA C 71 57.200 58.305 -1.105 1
1 280 . 7 1 1 A 71 71 GLN CB C 71 24.400 28.765 -4.365 1
1 282 . 7 1 1 A 71 71 GLN N N 71 120.800 118.866 1.934 1
1 284 . 7 1 1 A 72 72 PHE H H 72 8.890 7.811 1.079 1
1 285 . 7 1 1 A 72 72 PHE HA H 72 4.200 4.027 0.173 1
1 291 . 7 1 1 A 72 72 PHE C C 72 173.500 177.571 -4.071 1
1 292 . 7 1 1 A 72 72 PHE CA C 72 59.000 61.044 -2.044 1
1 293 . 7 1 1 A 72 72 PHE CB C 72 36.000 39.084 -3.084 1
1 294 . 7 1 1 A 72 72 PHE N N 72 123.400 123.141 0.259 1
1 295 . 7 1 1 A 73 73 LYS H H 73 8.480 8.213 0.267 1
1 296 . 7 1 1 A 73 73 LYS HA H 73 3.430 3.449 -0.019 1
1 304 . 7 1 1 A 73 73 LYS C C 73 177.600 179.093 -1.493 1
1 305 . 7 1 1 A 73 73 LYS CA C 73 56.700 59.411 -2.711 1
1 306 . 7 1 1 A 73 73 LYS CB C 73 29.600 31.979 -2.379 1
1 310 . 7 1 1 A 73 73 LYS N N 73 119.900 118.326 1.574 1
1 311 . 7 1 1 A 74 74 SER H H 74 7.780 8.045 -0.265 1
1 312 . 7 1 1 A 74 74 SER HA H 74 4.120 4.232 -0.112 1
1 315 . 7 1 1 A 74 74 SER C C 74 174.300 177.309 -3.009 1
1 316 . 7 1 1 A 74 74 SER CA C 74 58.700 61.493 -2.793 1
1 317 . 7 1 1 A 74 74 SER CB C 74 59.900 62.722 -2.822 1
1 318 . 7 1 1 A 74 74 SER N N 74 114.200 114.297 -0.097 1
1 319 . 7 1 1 A 75 75 ALA H H 75 7.870 7.796 0.074 1
1 320 . 7 1 1 A 75 75 ALA HA H 75 3.840 3.980 -0.140 1
1 324 . 7 1 1 A 75 75 ALA C C 75 175.100 180.208 -5.108 1
1 325 . 7 1 1 A 75 75 ALA CA C 75 53.200 54.780 -1.580 1
1 326 . 7 1 1 A 75 75 ALA CB C 75 15.500 18.245 -2.745 1
1 327 . 7 1 1 A 75 75 ALA N N 75 123.100 122.919 0.181 1
1 328 . 7 1 1 A 76 76 PHE H H 76 9.450 7.939 1.511 1
1 329 . 7 1 1 A 76 76 PHE HA H 76 3.700 4.442 -0.742 1
1 334 . 7 1 1 A 76 76 PHE C C 76 174.600 178.193 -3.593 1
1 335 . 7 1 1 A 76 76 PHE CA C 76 59.600 61.029 -1.429 1
1 336 . 7 1 1 A 76 76 PHE CB C 76 35.800 38.090 -2.290 1
1 337 . 7 1 1 A 76 76 PHE N N 76 118.800 116.409 2.391 1
1 338 . 7 1 1 A 77 77 SER H H 77 8.550 8.539 0.011 1
1 339 . 7 1 1 A 77 77 SER HA H 77 4.130 4.038 0.092 1
1 341 . 7 1 1 A 77 77 SER C C 77 172.200 177.570 -5.370 1
1 342 . 7 1 1 A 77 77 SER CA C 77 60.100 61.958 -1.858 1
1 343 . 7 1 1 A 77 77 SER CB C 77 59.800 62.971 -3.171 1
1 344 . 7 1 1 A 77 77 SER N N 77 113.200 113.842 -0.642 1
1 345 . 7 1 1 A 78 78 CYS H H 78 7.430 8.621 -1.191 1
1 346 . 7 1 1 A 78 78 CYS HA H 78 4.080 4.213 -0.133 1
1 349 . 7 1 1 A 78 78 CYS C C 78 174.000 176.151 -2.151 1
1 350 . 7 1 1 A 78 78 CYS CA C 78 57.900 60.517 -2.617 1
1 351 . 7 1 1 A 78 78 CYS CB C 78 36.400 41.106 -4.706 1
1 352 . 7 1 1 A 78 78 CYS N N 78 118.900 119.582 -0.682 1
1 353 . 7 1 1 A 79 79 PHE H H 79 8.270 8.271 -0.001 1
1 354 . 7 1 1 A 79 79 PHE HA H 79 3.740 4.243 -0.503 1
1 359 . 7 1 1 A 79 79 PHE C C 79 173.600 177.344 -3.744 1
1 360 . 7 1 1 A 79 79 PHE CA C 79 59.200 61.786 -2.586 1
1 361 . 7 1 1 A 79 79 PHE CB C 79 37.000 39.097 -2.097 1
1 362 . 7 1 1 A 79 79 PHE N N 79 120.400 121.815 -1.415 1
1 363 . 7 1 1 A 80 80 HIS H H 80 8.840 8.200 0.640 1
1 364 . 7 1 1 A 80 80 HIS HA H 80 3.460 3.864 -0.404 1
1 368 . 7 1 1 A 80 80 HIS C C 80 175.700 176.773 -1.073 1
1 369 . 7 1 1 A 80 80 HIS CA C 80 57.000 59.375 -2.375 1
1 370 . 7 1 1 A 80 80 HIS CB C 80 28.300 29.897 -1.597 1
1 371 . 7 1 1 A 80 80 HIS N N 80 118.400 118.393 0.007 1
1 372 . 7 1 1 A 81 81 TYR H H 81 7.710 8.209 -0.499 1
1 373 . 7 1 1 A 81 81 TYR HA H 81 4.080 4.180 -0.100 1
1 378 . 7 1 1 A 81 81 TYR C C 81 172.400 177.306 -4.906 1
1 379 . 7 1 1 A 81 81 TYR CA C 81 56.100 60.984 -4.884 1
1 380 . 7 1 1 A 81 81 TYR CB C 81 34.800 37.086 -2.286 1
1 381 . 7 1 1 A 81 81 TYR N N 81 113.400 116.502 -3.102 1
1 382 . 7 1 1 A 82 82 SER H H 82 7.070 7.682 -0.612 1
1 383 . 7 1 1 A 82 82 SER HA H 82 4.410 4.316 0.094 1
1 386 . 7 1 1 A 82 82 SER C C 82 174.500 174.330 0.170 1
1 387 . 7 1 1 A 82 82 SER CA C 82 56.300 61.102 -4.802 1
1 388 . 7 1 1 A 82 82 SER CB C 82 59.200 63.305 -4.105 1
1 389 . 7 1 1 A 82 82 SER N N 82 115.600 115.832 -0.232 1
1 390 . 7 1 1 A 83 83 THR H H 83 9.290 7.587 1.703 1
1 391 . 7 1 1 A 83 83 THR HA H 83 4.400 3.738 0.662 1
1 396 . 7 1 1 A 83 83 THR C C 83 172.200 173.431 -1.231 1
1 397 . 7 1 1 A 83 83 THR CA C 83 57.500 63.355 -5.855 1
1 398 . 7 1 1 A 83 83 THR CB C 83 65.800 66.610 -0.810 1
1 400 . 7 1 1 A 83 83 THR N N 83 120.400 114.728 5.672 1
1 401 . 7 1 1 A 84 84 GLU H H 84 7.170 7.963 -0.793 1
1 402 . 7 1 1 A 84 84 GLU HA H 84 3.860 4.479 -0.619 1
1 406 . 7 1 1 A 84 84 GLU C C 84 173.300 177.469 -4.169 1
1 407 . 7 1 1 A 84 84 GLU CA C 84 53.100 55.683 -2.583 1
1 408 . 7 1 1 A 84 84 GLU CB C 84 28.400 30.710 -2.310 1
1 410 . 7 1 1 A 84 84 GLU N N 84 121.600 121.554 0.046 1
1 411 . 7 1 1 A 85 85 GLU H H 85 8.390 8.703 -0.313 1
1 412 . 7 1 1 A 85 85 GLU HA H 85 3.730 4.369 -0.639 1
1 417 . 7 1 1 A 85 85 GLU C C 85 175.500 177.025 -1.525 1
1 418 . 7 1 1 A 85 85 GLU CA C 85 56.700 57.898 -1.198 1
1 419 . 7 1 1 A 85 85 GLU CB C 85 26.900 30.528 -3.628 1
1 421 . 7 1 1 A 85 85 GLU N N 85 121.800 120.908 0.892 1
1 422 . 7 1 1 A 86 86 ILE H H 86 8.060 7.710 0.350 1
1 423 . 7 1 1 A 86 86 ILE HA H 86 4.060 4.012 0.048 1
1 433 . 7 1 1 A 86 86 ILE C C 86 172.400 175.573 -3.173 1
1 434 . 7 1 1 A 86 86 ILE CA C 86 56.800 60.977 -4.177 1
1 435 . 7 1 1 A 86 86 ILE CB C 86 32.700 38.207 -5.507 1
1 439 . 7 1 1 A 86 86 ILE N N 86 117.800 120.660 -2.860 1
1 440 . 7 1 1 A 87 87 LYS H H 87 8.200 8.509 -0.309 1
1 441 . 7 1 1 A 87 87 LYS HA H 87 3.470 2.539 0.931 1
1 450 . 7 1 1 A 87 87 LYS C C 87 175.200 176.467 -1.267 1
1 451 . 7 1 1 A 87 87 LYS CA C 87 56.800 57.130 -0.330 1
1 452 . 7 1 1 A 87 87 LYS CB C 87 30.300 30.913 -0.613 1
1 456 . 7 1 1 A 87 87 LYS N N 87 130.300 126.721 3.579 1
1 457 . 7 1 1 A 88 88 GLY H H 88 8.820 8.116 0.704 1
1 458 . 7 1 1 A 88 88 GLY HA2 H 88 4.440 2.843 1.597 1
1 459 . 7 1 1 A 88 88 GLY HA3 H 88 3.560 3.858 -0.298 1
1 460 . 7 1 1 A 88 88 GLY C C 88 172.800 175.163 -2.363 1
1 461 . 7 1 1 A 88 88 GLY CA C 88 42.800 45.042 -2.242 1
1 462 . 7 1 1 A 88 88 GLY N N 88 110.400 113.872 -3.472 1
1 463 . 7 1 1 A 89 89 SER H H 89 8.570 8.055 0.515 1
1 464 . 7 1 1 A 89 89 SER HA H 89 4.040 4.086 -0.046 1
1 467 . 7 1 1 A 89 89 SER C C 89 171.300 176.024 -4.724 1
1 468 . 7 1 1 A 89 89 SER CA C 89 58.200 62.127 -3.927 1
1 469 . 7 1 1 A 89 89 SER CB C 89 59.200 63.271 -4.071 1
1 470 . 7 1 1 A 89 89 SER N N 89 118.000 117.323 0.677 1
1 471 . 7 1 1 A 90 90 ASP H H 90 10.480 8.083 2.397 1
1 472 . 7 1 1 A 90 90 ASP HA H 90 4.580 4.453 0.127 1
1 475 . 7 1 1 A 90 90 ASP C C 90 173.500 178.398 -4.898 1
1 476 . 7 1 1 A 90 90 ASP CA C 90 50.500 56.378 -5.878 1
1 477 . 7 1 1 A 90 90 ASP CB C 90 34.900 40.848 -5.948 1
1 478 . 7 1 1 A 90 90 ASP N N 90 116.400 119.461 -3.061 1
1 479 . 7 1 1 A 91 91 CYS H H 91 7.420 8.264 -0.844 1
1 480 . 7 1 1 A 91 91 CYS HA H 91 5.180 4.512 0.668 1
1 483 . 7 1 1 A 91 91 CYS C C 91 172.800 174.955 -2.155 1
1 484 . 7 1 1 A 91 91 CYS CA C 91 50.600 58.082 -7.482 1
1 485 . 7 1 1 A 91 91 CYS CB C 91 38.000 41.794 -3.794 1
1 486 . 7 1 1 A 91 91 CYS N N 91 117.300 117.174 0.126 1
1 487 . 7 1 1 A 92 92 VAL H H 92 7.320 7.747 -0.427 1
1 488 . 7 1 1 A 92 92 VAL HA H 92 3.470 3.925 -0.455 1
1 496 . 7 1 1 A 92 92 VAL C C 92 175.700 176.966 -1.266 1
1 497 . 7 1 1 A 92 92 VAL CA C 92 64.000 64.967 -0.967 1
1 498 . 7 1 1 A 92 92 VAL CB C 92 29.300 31.473 -2.173 1
1 501 . 7 1 1 A 92 92 VAL N N 92 120.500 121.563 -1.063 1
1 502 . 7 1 1 A 93 93 ASP H H 93 8.870 8.382 0.488 1
1 503 . 7 1 1 A 93 93 ASP HA H 93 4.280 4.407 -0.127 1
1 505 . 7 1 1 A 93 93 ASP C C 93 176.500 178.048 -1.548 1
1 506 . 7 1 1 A 93 93 ASP CA C 93 55.100 57.525 -2.425 1
1 507 . 7 1 1 A 93 93 ASP CB C 93 36.800 42.154 -5.354 1
1 508 . 7 1 1 A 93 93 ASP N N 93 120.500 121.818 -1.318 1
1 509 . 7 1 1 A 94 94 GLN H H 94 9.140 7.759 1.381 1
1 510 . 7 1 1 A 94 94 GLN HA H 94 3.920 4.297 -0.377 1
1 517 . 7 1 1 A 94 94 GLN C C 94 178.100 178.370 -0.270 1
1 518 . 7 1 1 A 94 94 GLN CA C 94 57.100 57.624 -0.524 1
1 519 . 7 1 1 A 94 94 GLN CB C 94 24.500 28.711 -4.211 1
1 521 . 7 1 1 A 94 94 GLN N N 94 121.800 118.074 3.726 1
1 523 . 7 1 1 A 95 95 PHE H H 95 8.920 8.267 0.653 1
1 524 . 7 1 1 A 95 95 PHE HA H 95 4.130 4.326 -0.196 1
1 529 . 7 1 1 A 95 95 PHE C C 95 175.100 178.312 -3.212 1
1 530 . 7 1 1 A 95 95 PHE CA C 95 57.500 60.794 -3.294 1
1 531 . 7 1 1 A 95 95 PHE CB C 95 34.500 38.380 -3.880 1
1 532 . 7 1 1 A 95 95 PHE N N 95 122.500 118.948 3.552 1
1 533 . 7 1 1 A 96 96 ARG H H 96 8.500 8.553 -0.053 1
1 534 . 7 1 1 A 96 96 ARG HA H 96 4.040 3.981 0.059 1
1 540 . 7 1 1 A 96 96 ARG C C 96 175.700 178.146 -2.446 1
1 541 . 7 1 1 A 96 96 ARG CA C 96 56.800 59.877 -3.077 1
1 542 . 7 1 1 A 96 96 ARG CB C 96 26.800 29.940 -3.140 1
1 545 . 7 1 1 A 96 96 ARG N N 96 121.600 121.066 0.534 1
1 546 . 7 1 1 A 97 97 ALA H H 97 7.960 8.372 -0.412 1
1 547 . 7 1 1 A 97 97 ALA HA H 97 4.110 4.125 -0.015 1
1 551 . 7 1 1 A 97 97 ALA C C 97 178.600 179.817 -1.217 1
1 552 . 7 1 1 A 97 97 ALA CA C 97 52.100 55.117 -3.017 1
1 553 . 7 1 1 A 97 97 ALA CB C 97 15.200 18.172 -2.972 1
1 554 . 7 1 1 A 97 97 ALA N N 97 120.300 120.612 -0.312 1
1 555 . 7 1 1 A 98 98 MET H H 98 7.600 8.468 -0.868 1
1 556 . 7 1 1 A 98 98 MET HA H 98 3.830 4.083 -0.253 1
1 559 . 7 1 1 A 98 98 MET C C 98 173.900 178.109 -4.209 1
1 560 . 7 1 1 A 98 98 MET CA C 98 56.400 58.214 -1.814 1
1 561 . 7 1 1 A 98 98 MET CB C 98 30.100 31.920 -1.820 1
1 563 . 7 1 1 A 98 98 MET N N 98 118.400 118.627 -0.227 1
1 564 . 7 1 1 A 99 99 GLN H H 99 8.410 7.760 0.650 1
1 565 . 7 1 1 A 99 99 GLN HA H 99 3.800 4.046 -0.246 1
1 569 . 7 1 1 A 99 99 GLN C C 99 173.400 178.518 -5.118 1
1 570 . 7 1 1 A 99 99 GLN CA C 99 56.800 58.919 -2.119 1
1 571 . 7 1 1 A 99 99 GLN CB C 99 25.900 28.537 -2.637 1
1 573 . 7 1 1 A 99 99 GLN N N 99 120.800 118.491 2.309 1
1 574 . 7 1 1 A 100 100 GLU H H 100 8.510 8.786 -0.276 1
1 575 . 7 1 1 A 100 100 GLU HA H 100 3.820 3.928 -0.108 1
1 580 . 7 1 1 A 100 100 GLU C C 100 175.900 178.378 -2.478 1
1 581 . 7 1 1 A 100 100 GLU CA C 100 56.500 59.607 -3.107 1
1 582 . 7 1 1 A 100 100 GLU CB C 100 26.900 29.290 -2.390 1
1 584 . 7 1 1 A 100 100 GLU N N 100 117.600 118.918 -1.318 1
1 585 . 7 1 1 A 101 101 CYS H H 101 7.310 8.187 -0.877 1
1 586 . 7 1 1 A 101 101 CYS HA H 101 4.230 4.244 -0.014 1
1 589 . 7 1 1 A 101 101 CYS C C 101 173.800 176.369 -2.569 1
1 590 . 7 1 1 A 101 101 CYS CA C 101 57.800 59.211 -1.411 1
1 591 . 7 1 1 A 101 101 CYS CB C 101 36.500 42.125 -5.625 1
1 592 . 7 1 1 A 101 101 CYS N N 101 117.800 118.782 -0.982 1
1 593 . 7 1 1 A 102 102 MET H H 102 8.400 8.252 0.148 1
1 594 . 7 1 1 A 102 102 MET HA H 102 3.820 4.338 -0.518 1
1 599 . 7 1 1 A 102 102 MET C C 102 177.100 177.589 -0.489 1
1 600 . 7 1 1 A 102 102 MET CA C 102 57.100 57.711 -0.611 1
1 601 . 7 1 1 A 102 102 MET CB C 102 30.200 31.499 -1.299 1
1 603 . 7 1 1 A 102 102 MET N N 102 119.100 119.537 -0.437 1
1 604 . 7 1 1 A 103 103 GLN H H 103 7.850 8.563 -0.713 1
1 605 . 7 1 1 A 103 103 GLN HA H 103 3.960 4.096 -0.136 1
1 612 . 7 1 1 A 103 103 GLN C C 103 174.000 176.986 -2.986 1
1 613 . 7 1 1 A 103 103 GLN CA C 103 55.000 57.415 -2.415 1
1 614 . 7 1 1 A 103 103 GLN CB C 103 25.900 27.887 -1.987 1
1 616 . 7 1 1 A 103 103 GLN N N 103 117.200 117.248 -0.048 1
1 618 . 7 1 1 A 104 104 LYS H H 104 7.470 7.547 -0.077 1
1 619 . 7 1 1 A 104 104 LYS HA H 104 3.880 3.980 -0.100 1
1 626 . 7 1 1 A 104 104 LYS C C 104 173.200 175.975 -2.775 1
1 627 . 7 1 1 A 104 104 LYS CA C 104 54.600 57.723 -3.123 1
1 628 . 7 1 1 A 104 104 LYS CB C 104 29.600 33.193 -3.593 1
1 632 . 7 1 1 A 104 104 LYS N N 104 116.700 117.650 -0.950 1
1 633 . 7 1 1 A 105 105 TYR H H 105 7.390 7.589 -0.199 1
1 634 . 7 1 1 A 105 105 TYR HA H 105 5.040 5.081 -0.041 1
1 639 . 7 1 1 A 105 105 TYR C C 105 170.800 174.625 -3.825 1
1 640 . 7 1 1 A 105 105 TYR CA C 105 52.300 55.024 -2.724 1
1 641 . 7 1 1 A 105 105 TYR CB C 105 36.700 38.910 -2.210 1
1 642 . 7 1 1 A 105 105 TYR N N 105 115.700 117.124 -1.424 1
1 643 . 7 1 1 A 106 106 PRO HA H 106 4.470 4.521 -0.051 1
1 650 . 7 1 1 A 106 106 PRO CA C 106 61.800 64.388 -2.588 1
1 651 . 7 1 1 A 106 106 PRO CB C 106 29.000 32.097 -3.097 1
1 654 . 7 1 1 A 107 107 ASP H H 107 8.750 7.778 0.972 1
1 655 . 7 1 1 A 107 107 ASP HA H 107 4.310 4.295 0.015 1
1 658 . 7 1 1 A 107 107 ASP C C 107 174.000 175.758 -1.758 1
1 659 . 7 1 1 A 107 107 ASP CA C 107 52.200 52.815 -0.615 1
1 660 . 7 1 1 A 107 107 ASP CB C 107 36.800 42.393 -5.593 1
1 661 . 7 1 1 A 107 107 ASP N N 107 114.800 118.057 -3.257 1
1 662 . 7 1 1 A 108 108 LEU H H 108 7.270 7.716 -0.446 1
1 663 . 7 1 1 A 108 108 LEU HA H 108 4.030 3.842 0.188 1
1 673 . 7 1 1 A 108 108 LEU C C 108 173.800 177.530 -3.730 1
1 674 . 7 1 1 A 108 108 LEU CA C 108 52.500 57.298 -4.798 1
1 675 . 7 1 1 A 108 108 LEU CB C 108 40.000 41.076 -1.076 1
1 679 . 7 1 1 A 108 108 LEU N N 108 118.900 118.779 0.121 1
1 7 . 8 1 1 A 46 46 LEU HA H 46 3.970 4.246 -0.276 1
1 17 . 8 1 1 A 46 46 LEU CA C 46 55.000 55.595 -0.595 1
1 18 . 8 1 1 A 46 46 LEU CB C 46 40.300 42.169 -1.869 1
1 22 . 8 1 1 A 47 47 ILE H H 47 7.570 7.695 -0.125 1
1 23 . 8 1 1 A 47 47 ILE HA H 47 4.270 4.457 -0.187 1
1 33 . 8 1 1 A 47 47 ILE C C 47 174.500 174.911 -0.411 1
1 34 . 8 1 1 A 47 47 ILE CA C 47 54.600 59.546 -4.946 1
1 35 . 8 1 1 A 47 47 ILE CB C 47 34.500 39.811 -5.311 1
1 39 . 8 1 1 A 47 47 ILE N N 47 115.000 120.761 -5.761 1
1 40 . 8 1 1 A 48 48 LEU H H 48 8.760 8.972 -0.212 1
1 41 . 8 1 1 A 48 48 LEU HA H 48 4.260 4.558 -0.298 1
1 51 . 8 1 1 A 48 48 LEU C C 48 174.400 176.858 -2.458 1
1 52 . 8 1 1 A 48 48 LEU CA C 48 51.200 52.747 -1.547 1
1 53 . 8 1 1 A 48 48 LEU CB C 48 37.800 41.806 -4.006 1
1 57 . 8 1 1 A 48 48 LEU N N 48 127.400 125.890 1.510 1
1 58 . 8 1 1 A 49 49 PRO HA H 49 4.170 4.482 -0.312 1
1 63 . 8 1 1 A 49 49 PRO CA C 49 62.500 64.313 -1.813 1
1 64 . 8 1 1 A 49 49 PRO CB C 49 28.900 31.646 -2.746 1
1 67 . 8 1 1 A 50 50 ASN H H 50 7.180 7.811 -0.631 1
1 68 . 8 1 1 A 50 50 ASN HA H 50 4.420 4.679 -0.259 1
1 73 . 8 1 1 A 50 50 ASN C C 50 173.700 176.608 -2.908 1
1 74 . 8 1 1 A 50 50 ASN CA C 50 49.500 52.075 -2.575 1
1 75 . 8 1 1 A 50 50 ASN CB C 50 34.400 37.894 -3.494 1
1 76 . 8 1 1 A 50 50 ASN N N 50 111.000 113.257 -2.257 1
1 78 . 8 1 1 A 51 51 GLY H H 51 8.370 8.362 0.008 1
1 79 . 8 1 1 A 51 51 GLY HA2 H 51 4.220 3.853 0.367 1
1 80 . 8 1 1 A 51 51 GLY HA3 H 51 3.400 3.866 -0.466 1
1 81 . 8 1 1 A 51 51 GLY C C 51 171.500 174.099 -2.599 1
1 82 . 8 1 1 A 51 51 GLY CA C 51 42.200 44.943 -2.743 1
1 83 . 8 1 1 A 51 51 GLY N N 51 108.400 109.107 -0.707 1
1 84 . 8 1 1 A 52 52 ASN H H 52 7.810 8.129 -0.319 1
1 85 . 8 1 1 A 52 52 ASN HA H 52 4.670 4.953 -0.283 1
1 90 . 8 1 1 A 52 52 ASN C C 52 170.900 175.094 -4.194 1
1 91 . 8 1 1 A 52 52 ASN CA C 52 49.400 53.266 -3.866 1
1 92 . 8 1 1 A 52 52 ASN CB C 52 36.100 40.116 -4.016 1
1 93 . 8 1 1 A 52 52 ASN N N 52 119.100 120.098 -0.998 1
1 95 . 8 1 1 A 53 53 ILE H H 53 8.070 8.263 -0.193 1
1 96 . 8 1 1 A 53 53 ILE HA H 53 3.470 3.815 -0.345 1
1 106 . 8 1 1 A 53 53 ILE C C 53 172.300 175.390 -3.090 1
1 107 . 8 1 1 A 53 53 ILE CA C 53 59.100 60.556 -1.456 1
1 108 . 8 1 1 A 53 53 ILE CB C 53 36.000 37.546 -1.546 1
1 112 . 8 1 1 A 53 53 ILE N N 53 120.100 123.660 -3.560 1
1 113 . 8 1 1 A 54 54 ASN H H 54 8.700 8.519 0.181 1
1 114 . 8 1 1 A 54 54 ASN HA H 54 4.350 4.641 -0.291 1
1 119 . 8 1 1 A 54 54 ASN C C 54 172.300 175.693 -3.393 1
1 120 . 8 1 1 A 54 54 ASN CA C 54 47.500 52.057 -4.557 1
1 121 . 8 1 1 A 54 54 ASN CB C 54 34.200 37.976 -3.776 1
1 122 . 8 1 1 A 54 54 ASN N N 54 123.200 124.973 -1.773 1
1 124 . 8 1 1 A 55 55 TRP H H 55 7.520 7.769 -0.249 1
1 125 . 8 1 1 A 55 55 TRP HA H 55 4.300 4.556 -0.256 1
1 134 . 8 1 1 A 55 55 TRP C C 55 172.100 177.415 -5.315 1
1 135 . 8 1 1 A 55 55 TRP CA C 55 55.200 58.868 -3.668 1
1 136 . 8 1 1 A 55 55 TRP CB C 55 26.400 28.340 -1.940 1
1 137 . 8 1 1 A 55 55 TRP N N 55 124.600 125.461 -0.861 1
1 138 . 8 1 1 A 56 56 ASN H H 56 7.380 8.092 -0.712 1
1 139 . 8 1 1 A 56 56 ASN HA H 56 4.720 4.901 -0.181 1
1 144 . 8 1 1 A 56 56 ASN C C 56 172.100 175.790 -3.690 1
1 145 . 8 1 1 A 56 56 ASN CA C 56 49.500 53.654 -4.154 1
1 146 . 8 1 1 A 56 56 ASN CB C 56 36.200 38.698 -2.498 1
1 147 . 8 1 1 A 56 56 ASN N N 56 112.500 116.749 -4.249 1
1 149 . 8 1 1 A 57 57 CYS H H 57 7.460 7.435 0.025 1
1 150 . 8 1 1 A 57 57 CYS HA H 57 4.280 4.388 -0.108 1
1 153 . 8 1 1 A 57 57 CYS C C 57 173.000 174.641 -1.641 1
1 154 . 8 1 1 A 57 57 CYS CA C 57 54.900 58.578 -3.678 1
1 155 . 8 1 1 A 57 57 CYS CB C 57 25.000 27.399 -2.399 1
1 156 . 8 1 1 A 57 57 CYS N N 57 123.000 119.200 3.800 1
1 157 . 8 1 1 A 58 58 PRO HA H 58 4.200 4.524 -0.324 1
1 162 . 8 1 1 A 58 58 PRO CA C 58 62.700 64.190 -1.490 1
1 163 . 8 1 1 A 58 58 PRO CB C 58 29.300 31.686 -2.386 1
1 166 . 8 1 1 A 59 59 CYS HA H 59 4.390 4.631 -0.241 1
1 168 . 8 1 1 A 59 59 CYS CA C 59 57.000 59.986 -2.986 1
1 169 . 8 1 1 A 59 59 CYS CB C 59 24.400 29.064 -4.664 1
1 170 . 8 1 1 A 60 60 LEU H H 60 7.500 8.123 -0.623 1
1 171 . 8 1 1 A 60 60 LEU HA H 60 4.180 4.041 0.139 1
1 181 . 8 1 1 A 60 60 LEU C C 60 175.700 178.914 -3.214 1
1 182 . 8 1 1 A 60 60 LEU CA C 60 52.000 58.109 -6.109 1
1 183 . 8 1 1 A 60 60 LEU CB C 60 39.000 41.787 -2.787 1
1 187 . 8 1 1 A 60 60 LEU N N 60 117.700 122.216 -4.516 1
1 188 . 8 1 1 A 61 61 GLY H H 61 7.880 8.260 -0.380 1
1 189 . 8 1 1 A 61 61 GLY HA2 H 61 3.830 3.782 0.048 1
1 190 . 8 1 1 A 61 61 GLY HA3 H 61 3.680 3.951 -0.271 1
1 191 . 8 1 1 A 61 61 GLY C C 61 172.700 176.308 -3.608 1
1 192 . 8 1 1 A 61 61 GLY CA C 61 44.700 47.334 -2.634 1
1 193 . 8 1 1 A 61 61 GLY N N 61 105.700 106.742 -1.042 1
1 194 . 8 1 1 A 62 62 GLY H H 62 8.580 8.421 0.159 1
1 195 . 8 1 1 A 62 62 GLY HA2 H 62 3.810 3.872 -0.062 1
1 196 . 8 1 1 A 62 62 GLY HA3 H 62 3.680 3.883 -0.203 1
1 197 . 8 1 1 A 62 62 GLY C C 62 174.000 175.209 -1.209 1
1 198 . 8 1 1 A 62 62 GLY CA C 62 42.800 46.886 -4.086 1
1 199 . 8 1 1 A 62 62 GLY N N 62 108.500 110.107 -1.607 1
1 200 . 8 1 1 A 63 63 MET H H 63 7.460 8.299 -0.839 1
1 201 . 8 1 1 A 63 63 MET HA H 63 3.870 4.319 -0.449 1
1 206 . 8 1 1 A 63 63 MET C C 63 174.600 176.842 -2.242 1
1 207 . 8 1 1 A 63 63 MET CA C 63 54.400 56.429 -2.029 1
1 208 . 8 1 1 A 63 63 MET CB C 63 27.600 31.575 -3.975 1
1 210 . 8 1 1 A 63 63 MET N N 63 118.500 119.507 -1.007 1
1 211 . 8 1 1 A 64 64 ALA H H 64 8.080 7.755 0.325 1
1 212 . 8 1 1 A 64 64 ALA HA H 64 4.220 4.539 -0.319 1
1 216 . 8 1 1 A 64 64 ALA C C 64 173.800 177.250 -3.450 1
1 217 . 8 1 1 A 64 64 ALA CA C 64 50.400 51.798 -1.398 1
1 218 . 8 1 1 A 64 64 ALA CB C 64 16.500 19.424 -2.924 1
1 219 . 8 1 1 A 64 64 ALA N N 64 117.500 121.627 -4.127 1
1 220 . 8 1 1 A 65 65 SER H H 65 7.460 7.498 -0.038 1
1 221 . 8 1 1 A 65 65 SER HA H 65 4.570 4.538 0.032 1
1 224 . 8 1 1 A 65 65 SER C C 65 171.500 174.904 -3.404 1
1 225 . 8 1 1 A 65 65 SER CA C 65 54.800 58.462 -3.662 1
1 226 . 8 1 1 A 65 65 SER CB C 65 61.800 64.685 -2.885 1
1 227 . 8 1 1 A 65 65 SER N N 65 111.200 115.239 -4.039 1
1 228 . 8 1 1 A 66 66 GLY H H 66 7.480 8.459 -0.979 1
1 229 . 8 1 1 A 66 66 GLY HA2 H 66 3.980 4.120 -0.140 1
1 230 . 8 1 1 A 66 66 GLY HA3 H 66 4.030 4.159 -0.129 1
1 231 . 8 1 1 A 66 66 GLY C C 66 170.600 173.878 -3.278 1
1 232 . 8 1 1 A 66 66 GLY CA C 66 42.000 44.715 -2.715 1
1 233 . 8 1 1 A 66 66 GLY N N 66 108.800 111.187 -2.387 1
1 234 . 8 1 1 A 67 67 PRO HA H 67 4.210 4.383 -0.173 1
1 241 . 8 1 1 A 67 67 PRO CA C 67 62.000 65.103 -3.103 1
1 242 . 8 1 1 A 67 67 PRO CB C 67 28.900 31.814 -2.914 1
1 245 . 8 1 1 A 68 68 CYS H H 68 7.700 8.047 -0.347 1
1 246 . 8 1 1 A 68 68 CYS HA H 68 5.450 4.501 0.949 1
1 249 . 8 1 1 A 68 68 CYS C C 68 173.500 175.981 -2.481 1
1 250 . 8 1 1 A 68 68 CYS CA C 68 49.500 58.362 -8.862 1
1 251 . 8 1 1 A 68 68 CYS CB C 68 36.200 41.878 -5.678 1
1 252 . 8 1 1 A 68 68 CYS N N 68 115.300 114.730 0.570 1
1 253 . 8 1 1 A 69 69 GLY H H 69 7.840 8.408 -0.568 1
1 254 . 8 1 1 A 69 69 GLY HA2 H 69 3.950 3.806 0.144 1
1 255 . 8 1 1 A 69 69 GLY HA3 H 69 3.550 3.848 -0.298 1
1 256 . 8 1 1 A 69 69 GLY C C 69 173.300 176.164 -2.864 1
1 257 . 8 1 1 A 69 69 GLY CA C 69 45.200 47.358 -2.158 1
1 258 . 8 1 1 A 69 69 GLY N N 69 110.200 109.731 0.469 1
1 259 . 8 1 1 A 70 70 GLU H H 70 8.650 8.712 -0.062 1
1 260 . 8 1 1 A 70 70 GLU HA H 70 3.760 4.012 -0.252 1
1 265 . 8 1 1 A 70 70 GLU C C 70 176.800 178.328 -1.528 1
1 266 . 8 1 1 A 70 70 GLU CA C 70 56.300 59.179 -2.879 1
1 267 . 8 1 1 A 70 70 GLU CB C 70 26.000 29.066 -3.066 1
1 269 . 8 1 1 A 70 70 GLU N N 70 120.000 121.685 -1.685 1
1 270 . 8 1 1 A 71 71 GLN H H 71 8.860 7.839 1.021 1
1 271 . 8 1 1 A 71 71 GLN HA H 71 3.850 4.109 -0.259 1
1 278 . 8 1 1 A 71 71 GLN C C 71 177.400 178.384 -0.984 1
1 279 . 8 1 1 A 71 71 GLN CA C 71 57.200 58.493 -1.293 1
1 280 . 8 1 1 A 71 71 GLN CB C 71 24.400 28.943 -4.543 1
1 282 . 8 1 1 A 71 71 GLN N N 71 120.800 118.858 1.942 1
1 284 . 8 1 1 A 72 72 PHE H H 72 8.890 7.846 1.044 1
1 285 . 8 1 1 A 72 72 PHE HA H 72 4.200 4.060 0.140 1
1 291 . 8 1 1 A 72 72 PHE C C 72 173.500 177.425 -3.925 1
1 292 . 8 1 1 A 72 72 PHE CA C 72 59.000 60.936 -1.936 1
1 293 . 8 1 1 A 72 72 PHE CB C 72 36.000 39.191 -3.191 1
1 294 . 8 1 1 A 72 72 PHE N N 72 123.400 123.122 0.278 1
1 295 . 8 1 1 A 73 73 LYS H H 73 8.480 8.132 0.348 1
1 296 . 8 1 1 A 73 73 LYS HA H 73 3.430 3.217 0.213 1
1 304 . 8 1 1 A 73 73 LYS C C 73 177.600 178.657 -1.057 1
1 305 . 8 1 1 A 73 73 LYS CA C 73 56.700 59.255 -2.555 1
1 306 . 8 1 1 A 73 73 LYS CB C 73 29.600 31.965 -2.365 1
1 310 . 8 1 1 A 73 73 LYS N N 73 119.900 118.515 1.385 1
1 311 . 8 1 1 A 74 74 SER H H 74 7.780 7.843 -0.063 1
1 312 . 8 1 1 A 74 74 SER HA H 74 4.120 4.139 -0.019 1
1 315 . 8 1 1 A 74 74 SER C C 74 174.300 177.278 -2.978 1
1 316 . 8 1 1 A 74 74 SER CA C 74 58.700 61.561 -2.861 1
1 317 . 8 1 1 A 74 74 SER CB C 74 59.900 62.924 -3.024 1
1 318 . 8 1 1 A 74 74 SER N N 74 114.200 114.316 -0.116 1
1 319 . 8 1 1 A 75 75 ALA H H 75 7.870 7.936 -0.066 1
1 320 . 8 1 1 A 75 75 ALA HA H 75 3.840 3.964 -0.124 1
1 324 . 8 1 1 A 75 75 ALA C C 75 175.100 179.275 -4.175 1
1 325 . 8 1 1 A 75 75 ALA CA C 75 53.200 54.729 -1.529 1
1 326 . 8 1 1 A 75 75 ALA CB C 75 15.500 17.852 -2.352 1
1 327 . 8 1 1 A 75 75 ALA N N 75 123.100 123.140 -0.040 1
1 328 . 8 1 1 A 76 76 PHE H H 76 9.450 7.787 1.663 1
1 329 . 8 1 1 A 76 76 PHE HA H 76 3.700 4.309 -0.609 1
1 334 . 8 1 1 A 76 76 PHE C C 76 174.600 177.951 -3.351 1
1 335 . 8 1 1 A 76 76 PHE CA C 76 59.600 62.011 -2.411 1
1 336 . 8 1 1 A 76 76 PHE CB C 76 35.800 38.591 -2.791 1
1 337 . 8 1 1 A 76 76 PHE N N 76 118.800 118.986 -0.186 1
1 338 . 8 1 1 A 77 77 SER H H 77 8.550 7.906 0.644 1
1 339 . 8 1 1 A 77 77 SER HA H 77 4.130 4.228 -0.098 1
1 341 . 8 1 1 A 77 77 SER C C 77 172.200 177.521 -5.321 1
1 342 . 8 1 1 A 77 77 SER CA C 77 60.100 61.926 -1.826 1
1 343 . 8 1 1 A 77 77 SER CB C 77 59.800 62.786 -2.986 1
1 344 . 8 1 1 A 77 77 SER N N 77 113.200 113.640 -0.440 1
1 345 . 8 1 1 A 78 78 CYS H H 78 7.430 8.678 -1.248 1
1 346 . 8 1 1 A 78 78 CYS HA H 78 4.080 4.078 0.002 1
1 349 . 8 1 1 A 78 78 CYS C C 78 174.000 176.019 -2.019 1
1 350 . 8 1 1 A 78 78 CYS CA C 78 57.900 60.406 -2.506 1
1 351 . 8 1 1 A 78 78 CYS CB C 78 36.400 41.314 -4.914 1
1 352 . 8 1 1 A 78 78 CYS N N 78 118.900 119.429 -0.529 1
1 353 . 8 1 1 A 79 79 PHE H H 79 8.270 8.353 -0.083 1
1 354 . 8 1 1 A 79 79 PHE HA H 79 3.740 4.236 -0.496 1
1 359 . 8 1 1 A 79 79 PHE C C 79 173.600 177.171 -3.571 1
1 360 . 8 1 1 A 79 79 PHE CA C 79 59.200 61.653 -2.453 1
1 361 . 8 1 1 A 79 79 PHE CB C 79 37.000 39.381 -2.381 1
1 362 . 8 1 1 A 79 79 PHE N N 79 120.400 122.048 -1.648 1
1 363 . 8 1 1 A 80 80 HIS H H 80 8.840 8.088 0.752 1
1 364 . 8 1 1 A 80 80 HIS HA H 80 3.460 3.760 -0.300 1
1 368 . 8 1 1 A 80 80 HIS C C 80 175.700 176.491 -0.791 1
1 369 . 8 1 1 A 80 80 HIS CA C 80 57.000 59.309 -2.309 1
1 370 . 8 1 1 A 80 80 HIS CB C 80 28.300 29.976 -1.676 1
1 371 . 8 1 1 A 80 80 HIS N N 80 118.400 118.328 0.072 1
1 372 . 8 1 1 A 81 81 TYR H H 81 7.710 8.530 -0.820 1
1 373 . 8 1 1 A 81 81 TYR HA H 81 4.080 3.948 0.132 1
1 378 . 8 1 1 A 81 81 TYR C C 81 172.400 177.752 -5.352 1
1 379 . 8 1 1 A 81 81 TYR CA C 81 56.100 61.754 -5.654 1
1 380 . 8 1 1 A 81 81 TYR CB C 81 34.800 37.416 -2.616 1
1 381 . 8 1 1 A 81 81 TYR N N 81 113.400 116.875 -3.475 1
1 382 . 8 1 1 A 82 82 SER H H 82 7.070 7.446 -0.376 1
1 383 . 8 1 1 A 82 82 SER HA H 82 4.410 4.395 0.015 1
1 386 . 8 1 1 A 82 82 SER C C 82 174.500 174.348 0.152 1
1 387 . 8 1 1 A 82 82 SER CA C 82 56.300 60.018 -3.718 1
1 388 . 8 1 1 A 82 82 SER CB C 82 59.200 63.642 -4.442 1
1 389 . 8 1 1 A 82 82 SER N N 82 115.600 116.164 -0.564 1
1 390 . 8 1 1 A 83 83 THR H H 83 9.290 7.867 1.423 1
1 391 . 8 1 1 A 83 83 THR HA H 83 4.400 3.828 0.572 1
1 396 . 8 1 1 A 83 83 THR C C 83 172.200 174.028 -1.828 1
1 397 . 8 1 1 A 83 83 THR CA C 83 57.500 62.947 -5.447 1
1 398 . 8 1 1 A 83 83 THR CB C 83 65.800 66.470 -0.670 1
1 400 . 8 1 1 A 83 83 THR N N 83 120.400 114.570 5.830 1
1 401 . 8 1 1 A 84 84 GLU H H 84 7.170 7.692 -0.522 1
1 402 . 8 1 1 A 84 84 GLU HA H 84 3.860 4.344 -0.484 1
1 406 . 8 1 1 A 84 84 GLU C C 84 173.300 176.601 -3.301 1
1 407 . 8 1 1 A 84 84 GLU CA C 84 53.100 57.276 -4.176 1
1 408 . 8 1 1 A 84 84 GLU CB C 84 28.400 30.065 -1.665 1
1 410 . 8 1 1 A 84 84 GLU N N 84 121.600 123.015 -1.415 1
1 411 . 8 1 1 A 85 85 GLU H H 85 8.390 7.990 0.400 1
1 412 . 8 1 1 A 85 85 GLU HA H 85 3.730 4.667 -0.937 1
1 417 . 8 1 1 A 85 85 GLU C C 85 175.500 175.898 -0.398 1
1 418 . 8 1 1 A 85 85 GLU CA C 85 56.700 58.137 -1.437 1
1 419 . 8 1 1 A 85 85 GLU CB C 85 26.900 31.531 -4.631 1
1 421 . 8 1 1 A 85 85 GLU N N 85 121.800 121.722 0.078 1
1 422 . 8 1 1 A 86 86 ILE H H 86 8.060 7.558 0.502 1
1 423 . 8 1 1 A 86 86 ILE HA H 86 4.060 4.063 -0.003 1
1 433 . 8 1 1 A 86 86 ILE C C 86 172.400 175.971 -3.571 1
1 434 . 8 1 1 A 86 86 ILE CA C 86 56.800 60.931 -4.131 1
1 435 . 8 1 1 A 86 86 ILE CB C 86 32.700 38.517 -5.817 1
1 439 . 8 1 1 A 86 86 ILE N N 86 117.800 120.565 -2.765 1
1 440 . 8 1 1 A 87 87 LYS H H 87 8.200 8.455 -0.255 1
1 441 . 8 1 1 A 87 87 LYS HA H 87 3.470 2.600 0.870 1
1 450 . 8 1 1 A 87 87 LYS C C 87 175.200 176.711 -1.511 1
1 451 . 8 1 1 A 87 87 LYS CA C 87 56.800 56.677 0.123 1
1 452 . 8 1 1 A 87 87 LYS CB C 87 30.300 30.451 -0.151 1
1 456 . 8 1 1 A 87 87 LYS N N 87 130.300 125.103 5.197 1
1 457 . 8 1 1 A 88 88 GLY H H 88 8.820 8.959 -0.139 1
1 458 . 8 1 1 A 88 88 GLY HA2 H 88 4.440 3.207 1.233 1
1 459 . 8 1 1 A 88 88 GLY HA3 H 88 3.560 4.096 -0.536 1
1 460 . 8 1 1 A 88 88 GLY C C 88 172.800 175.231 -2.431 1
1 461 . 8 1 1 A 88 88 GLY CA C 88 42.800 45.773 -2.973 1
1 462 . 8 1 1 A 88 88 GLY N N 88 110.400 114.179 -3.779 1
1 463 . 8 1 1 A 89 89 SER H H 89 8.570 7.859 0.711 1
1 464 . 8 1 1 A 89 89 SER HA H 89 4.040 4.017 0.023 1
1 467 . 8 1 1 A 89 89 SER C C 89 171.300 175.881 -4.581 1
1 468 . 8 1 1 A 89 89 SER CA C 89 58.200 62.612 -4.412 1
1 469 . 8 1 1 A 89 89 SER CB C 89 59.200 63.004 -3.804 1
1 470 . 8 1 1 A 89 89 SER N N 89 118.000 116.412 1.588 1
1 471 . 8 1 1 A 90 90 ASP H H 90 10.480 8.005 2.475 1
1 472 . 8 1 1 A 90 90 ASP HA H 90 4.580 4.440 0.140 1
1 475 . 8 1 1 A 90 90 ASP C C 90 173.500 177.249 -3.749 1
1 476 . 8 1 1 A 90 90 ASP CA C 90 50.500 54.573 -4.073 1
1 477 . 8 1 1 A 90 90 ASP CB C 90 34.900 40.893 -5.993 1
1 478 . 8 1 1 A 90 90 ASP N N 90 116.400 118.435 -2.035 1
1 479 . 8 1 1 A 91 91 CYS H H 91 7.420 7.860 -0.440 1
1 480 . 8 1 1 A 91 91 CYS HA H 91 5.180 5.000 0.180 1
1 483 . 8 1 1 A 91 91 CYS C C 91 172.800 174.441 -1.641 1
1 484 . 8 1 1 A 91 91 CYS CA C 91 50.600 55.689 -5.089 1
1 485 . 8 1 1 A 91 91 CYS CB C 91 38.000 43.259 -5.259 1
1 486 . 8 1 1 A 91 91 CYS N N 91 117.300 116.031 1.269 1
1 487 . 8 1 1 A 92 92 VAL H H 92 7.320 7.678 -0.358 1
1 488 . 8 1 1 A 92 92 VAL HA H 92 3.470 3.653 -0.183 1
1 496 . 8 1 1 A 92 92 VAL C C 92 175.700 177.881 -2.181 1
1 497 . 8 1 1 A 92 92 VAL CA C 92 64.000 66.034 -2.034 1
1 498 . 8 1 1 A 92 92 VAL CB C 92 29.300 31.630 -2.330 1
1 501 . 8 1 1 A 92 92 VAL N N 92 120.500 123.004 -2.504 1
1 502 . 8 1 1 A 93 93 ASP H H 93 8.870 8.363 0.507 1
1 503 . 8 1 1 A 93 93 ASP HA H 93 4.280 4.328 -0.048 1
1 505 . 8 1 1 A 93 93 ASP C C 93 176.500 178.164 -1.664 1
1 506 . 8 1 1 A 93 93 ASP CA C 93 55.100 57.807 -2.707 1
1 507 . 8 1 1 A 93 93 ASP CB C 93 36.800 42.427 -5.627 1
1 508 . 8 1 1 A 93 93 ASP N N 93 120.500 120.847 -0.347 1
1 509 . 8 1 1 A 94 94 GLN H H 94 9.140 7.644 1.496 1
1 510 . 8 1 1 A 94 94 GLN HA H 94 3.920 4.190 -0.270 1
1 517 . 8 1 1 A 94 94 GLN C C 94 178.100 178.672 -0.572 1
1 518 . 8 1 1 A 94 94 GLN CA C 94 57.100 58.279 -1.179 1
1 519 . 8 1 1 A 94 94 GLN CB C 94 24.500 28.843 -4.343 1
1 521 . 8 1 1 A 94 94 GLN N N 94 121.800 117.758 4.042 1
1 523 . 8 1 1 A 95 95 PHE H H 95 8.920 7.917 1.003 1
1 524 . 8 1 1 A 95 95 PHE HA H 95 4.130 4.317 -0.187 1
1 529 . 8 1 1 A 95 95 PHE C C 95 175.100 178.330 -3.230 1
1 530 . 8 1 1 A 95 95 PHE CA C 95 57.500 60.892 -3.392 1
1 531 . 8 1 1 A 95 95 PHE CB C 95 34.500 38.255 -3.755 1
1 532 . 8 1 1 A 95 95 PHE N N 95 122.500 119.289 3.211 1
1 533 . 8 1 1 A 96 96 ARG H H 96 8.500 8.698 -0.198 1
1 534 . 8 1 1 A 96 96 ARG HA H 96 4.040 3.954 0.086 1
1 540 . 8 1 1 A 96 96 ARG C C 96 175.700 178.305 -2.605 1
1 541 . 8 1 1 A 96 96 ARG CA C 96 56.800 59.888 -3.088 1
1 542 . 8 1 1 A 96 96 ARG CB C 96 26.800 30.003 -3.203 1
1 545 . 8 1 1 A 96 96 ARG N N 96 121.600 121.293 0.307 1
1 546 . 8 1 1 A 97 97 ALA H H 97 7.960 8.196 -0.236 1
1 547 . 8 1 1 A 97 97 ALA HA H 97 4.110 4.076 0.034 1
1 551 . 8 1 1 A 97 97 ALA C C 97 178.600 179.486 -0.886 1
1 552 . 8 1 1 A 97 97 ALA CA C 97 52.100 55.032 -2.932 1
1 553 . 8 1 1 A 97 97 ALA CB C 97 15.200 18.432 -3.232 1
1 554 . 8 1 1 A 97 97 ALA N N 97 120.300 120.783 -0.483 1
1 555 . 8 1 1 A 98 98 MET H H 98 7.600 8.345 -0.745 1
1 556 . 8 1 1 A 98 98 MET HA H 98 3.830 4.182 -0.352 1
1 559 . 8 1 1 A 98 98 MET C C 98 173.900 178.129 -4.229 1
1 560 . 8 1 1 A 98 98 MET CA C 98 56.400 58.231 -1.831 1
1 561 . 8 1 1 A 98 98 MET CB C 98 30.100 32.145 -2.045 1
1 563 . 8 1 1 A 98 98 MET N N 98 118.400 118.637 -0.237 1
1 564 . 8 1 1 A 99 99 GLN H H 99 8.410 8.386 0.024 1
1 565 . 8 1 1 A 99 99 GLN HA H 99 3.800 3.948 -0.148 1
1 569 . 8 1 1 A 99 99 GLN C C 99 173.400 178.089 -4.689 1
1 570 . 8 1 1 A 99 99 GLN CA C 99 56.800 59.295 -2.495 1
1 571 . 8 1 1 A 99 99 GLN CB C 99 25.900 28.485 -2.585 1
1 573 . 8 1 1 A 99 99 GLN N N 99 120.800 119.044 1.756 1
1 574 . 8 1 1 A 100 100 GLU H H 100 8.510 8.731 -0.221 1
1 575 . 8 1 1 A 100 100 GLU HA H 100 3.820 3.990 -0.170 1
1 580 . 8 1 1 A 100 100 GLU C C 100 175.900 178.617 -2.717 1
1 581 . 8 1 1 A 100 100 GLU CA C 100 56.500 59.522 -3.022 1
1 582 . 8 1 1 A 100 100 GLU CB C 100 26.900 28.844 -1.944 1
1 584 . 8 1 1 A 100 100 GLU N N 100 117.600 117.005 0.595 1
1 585 . 8 1 1 A 101 101 CYS H H 101 7.310 7.509 -0.199 1
1 586 . 8 1 1 A 101 101 CYS HA H 101 4.230 4.029 0.201 1
1 589 . 8 1 1 A 101 101 CYS C C 101 173.800 176.652 -2.852 1
1 590 . 8 1 1 A 101 101 CYS CA C 101 57.800 59.393 -1.593 1
1 591 . 8 1 1 A 101 101 CYS CB C 101 36.500 41.736 -5.236 1
1 592 . 8 1 1 A 101 101 CYS N N 101 117.800 119.017 -1.217 1
1 593 . 8 1 1 A 102 102 MET H H 102 8.400 8.123 0.277 1
1 594 . 8 1 1 A 102 102 MET HA H 102 3.820 4.520 -0.700 1
1 599 . 8 1 1 A 102 102 MET C C 102 177.100 177.362 -0.262 1
1 600 . 8 1 1 A 102 102 MET CA C 102 57.100 56.887 0.213 1
1 601 . 8 1 1 A 102 102 MET CB C 102 30.200 31.835 -1.635 1
1 603 . 8 1 1 A 102 102 MET N N 102 119.100 119.349 -0.249 1
1 604 . 8 1 1 A 103 103 GLN H H 103 7.850 8.131 -0.281 1
1 605 . 8 1 1 A 103 103 GLN HA H 103 3.960 4.166 -0.206 1
1 612 . 8 1 1 A 103 103 GLN C C 103 174.000 176.931 -2.931 1
1 613 . 8 1 1 A 103 103 GLN CA C 103 55.000 57.790 -2.790 1
1 614 . 8 1 1 A 103 103 GLN CB C 103 25.900 28.047 -2.147 1
1 616 . 8 1 1 A 103 103 GLN N N 103 117.200 117.291 -0.091 1
1 618 . 8 1 1 A 104 104 LYS H H 104 7.470 7.487 -0.017 1
1 619 . 8 1 1 A 104 104 LYS HA H 104 3.880 4.186 -0.306 1
1 626 . 8 1 1 A 104 104 LYS C C 104 173.200 176.224 -3.024 1
1 627 . 8 1 1 A 104 104 LYS CA C 104 54.600 57.754 -3.154 1
1 628 . 8 1 1 A 104 104 LYS CB C 104 29.600 33.109 -3.509 1
1 632 . 8 1 1 A 104 104 LYS N N 104 116.700 118.128 -1.428 1
1 633 . 8 1 1 A 105 105 TYR H H 105 7.390 7.474 -0.084 1
1 634 . 8 1 1 A 105 105 TYR HA H 105 5.040 4.988 0.052 1
1 639 . 8 1 1 A 105 105 TYR C C 105 170.800 174.524 -3.724 1
1 640 . 8 1 1 A 105 105 TYR CA C 105 52.300 54.913 -2.613 1
1 641 . 8 1 1 A 105 105 TYR CB C 105 36.700 38.528 -1.828 1
1 642 . 8 1 1 A 105 105 TYR N N 105 115.700 117.954 -2.254 1
1 643 . 8 1 1 A 106 106 PRO HA H 106 4.470 4.471 -0.001 1
1 650 . 8 1 1 A 106 106 PRO CA C 106 61.800 65.529 -3.729 1
1 651 . 8 1 1 A 106 106 PRO CB C 106 29.000 31.656 -2.656 1
1 654 . 8 1 1 A 107 107 ASP H H 107 8.750 7.794 0.956 1
1 655 . 8 1 1 A 107 107 ASP HA H 107 4.310 4.802 -0.492 1
1 658 . 8 1 1 A 107 107 ASP C C 107 174.000 175.339 -1.339 1
1 659 . 8 1 1 A 107 107 ASP CA C 107 52.200 52.961 -0.761 1
1 660 . 8 1 1 A 107 107 ASP CB C 107 36.800 40.833 -4.033 1
1 661 . 8 1 1 A 107 107 ASP N N 107 114.800 116.001 -1.201 1
1 662 . 8 1 1 A 108 108 LEU H H 108 7.270 7.548 -0.278 1
1 663 . 8 1 1 A 108 108 LEU HA H 108 4.030 4.427 -0.397 1
1 673 . 8 1 1 A 108 108 LEU C C 108 173.800 175.979 -2.179 1
1 674 . 8 1 1 A 108 108 LEU CA C 108 52.500 54.854 -2.354 1
1 675 . 8 1 1 A 108 108 LEU CB C 108 40.000 41.685 -1.685 1
1 679 . 8 1 1 A 108 108 LEU N N 108 118.900 122.270 -3.370 1
1 7 . 9 1 1 A 46 46 LEU HA H 46 3.970 4.244 -0.274 1
1 17 . 9 1 1 A 46 46 LEU CA C 46 55.000 57.023 -2.023 1
1 18 . 9 1 1 A 46 46 LEU CB C 46 40.300 41.898 -1.598 1
1 22 . 9 1 1 A 47 47 ILE H H 47 7.570 7.670 -0.100 1
1 23 . 9 1 1 A 47 47 ILE HA H 47 4.270 4.141 0.129 1
1 33 . 9 1 1 A 47 47 ILE C C 47 174.500 175.195 -0.695 1
1 34 . 9 1 1 A 47 47 ILE CA C 47 54.600 59.846 -5.246 1
1 35 . 9 1 1 A 47 47 ILE CB C 47 34.500 39.141 -4.641 1
1 39 . 9 1 1 A 47 47 ILE N N 47 115.000 121.265 -6.265 1
1 40 . 9 1 1 A 48 48 LEU H H 48 8.760 9.034 -0.274 1
1 41 . 9 1 1 A 48 48 LEU HA H 48 4.260 4.452 -0.192 1
1 51 . 9 1 1 A 48 48 LEU C C 48 174.400 176.833 -2.433 1
1 52 . 9 1 1 A 48 48 LEU CA C 48 51.200 52.967 -1.767 1
1 53 . 9 1 1 A 48 48 LEU CB C 48 37.800 41.367 -3.567 1
1 57 . 9 1 1 A 48 48 LEU N N 48 127.400 127.617 -0.217 1
1 58 . 9 1 1 A 49 49 PRO HA H 49 4.170 4.475 -0.305 1
1 63 . 9 1 1 A 49 49 PRO CA C 49 62.500 64.546 -2.046 1
1 64 . 9 1 1 A 49 49 PRO CB C 49 28.900 31.743 -2.843 1
1 67 . 9 1 1 A 50 50 ASN H H 50 7.180 7.830 -0.650 1
1 68 . 9 1 1 A 50 50 ASN HA H 50 4.420 4.583 -0.163 1
1 73 . 9 1 1 A 50 50 ASN C C 50 173.700 176.278 -2.578 1
1 74 . 9 1 1 A 50 50 ASN CA C 50 49.500 52.404 -2.904 1
1 75 . 9 1 1 A 50 50 ASN CB C 50 34.400 37.873 -3.473 1
1 76 . 9 1 1 A 50 50 ASN N N 50 111.000 113.010 -2.010 1
1 78 . 9 1 1 A 51 51 GLY H H 51 8.370 8.197 0.173 1
1 79 . 9 1 1 A 51 51 GLY HA2 H 51 4.220 3.968 0.252 1
1 80 . 9 1 1 A 51 51 GLY HA3 H 51 3.400 4.016 -0.616 1
1 81 . 9 1 1 A 51 51 GLY C C 51 171.500 174.163 -2.663 1
1 82 . 9 1 1 A 51 51 GLY CA C 51 42.200 45.081 -2.881 1
1 83 . 9 1 1 A 51 51 GLY N N 51 108.400 108.885 -0.485 1
1 84 . 9 1 1 A 52 52 ASN H H 52 7.810 7.887 -0.077 1
1 85 . 9 1 1 A 52 52 ASN HA H 52 4.670 4.977 -0.307 1
1 90 . 9 1 1 A 52 52 ASN C C 52 170.900 174.743 -3.843 1
1 91 . 9 1 1 A 52 52 ASN CA C 52 49.400 52.666 -3.266 1
1 92 . 9 1 1 A 52 52 ASN CB C 52 36.100 40.166 -4.066 1
1 93 . 9 1 1 A 52 52 ASN N N 52 119.100 119.962 -0.862 1
1 95 . 9 1 1 A 53 53 ILE H H 53 8.070 8.048 0.022 1
1 96 . 9 1 1 A 53 53 ILE HA H 53 3.470 4.066 -0.596 1
1 106 . 9 1 1 A 53 53 ILE C C 53 172.300 174.863 -2.563 1
1 107 . 9 1 1 A 53 53 ILE CA C 53 59.100 59.793 -0.693 1
1 108 . 9 1 1 A 53 53 ILE CB C 53 36.000 38.592 -2.592 1
1 112 . 9 1 1 A 53 53 ILE N N 53 120.100 123.204 -3.104 1
1 113 . 9 1 1 A 54 54 ASN H H 54 8.700 8.685 0.015 1
1 114 . 9 1 1 A 54 54 ASN HA H 54 4.350 4.666 -0.316 1
1 119 . 9 1 1 A 54 54 ASN C C 54 172.300 174.346 -2.046 1
1 120 . 9 1 1 A 54 54 ASN CA C 54 47.500 52.029 -4.529 1
1 121 . 9 1 1 A 54 54 ASN CB C 54 34.200 37.496 -3.296 1
1 122 . 9 1 1 A 54 54 ASN N N 54 123.200 125.174 -1.974 1
1 124 . 9 1 1 A 55 55 TRP H H 55 7.520 8.085 -0.565 1
1 125 . 9 1 1 A 55 55 TRP HA H 55 4.300 4.558 -0.258 1
1 134 . 9 1 1 A 55 55 TRP C C 55 172.100 177.552 -5.452 1
1 135 . 9 1 1 A 55 55 TRP CA C 55 55.200 57.635 -2.435 1
1 136 . 9 1 1 A 55 55 TRP CB C 55 26.400 30.828 -4.428 1
1 137 . 9 1 1 A 55 55 TRP N N 55 124.600 127.051 -2.451 1
1 138 . 9 1 1 A 56 56 ASN H H 56 7.380 9.110 -1.730 1
1 139 . 9 1 1 A 56 56 ASN HA H 56 4.720 4.378 0.342 1
1 144 . 9 1 1 A 56 56 ASN C C 56 172.100 174.453 -2.353 1
1 145 . 9 1 1 A 56 56 ASN CA C 56 49.500 54.739 -5.239 1
1 146 . 9 1 1 A 56 56 ASN CB C 56 36.200 38.091 -1.891 1
1 147 . 9 1 1 A 56 56 ASN N N 56 112.500 118.658 -6.158 1
1 149 . 9 1 1 A 57 57 CYS H H 57 7.460 7.730 -0.270 1
1 150 . 9 1 1 A 57 57 CYS HA H 57 4.280 4.522 -0.242 1
1 153 . 9 1 1 A 57 57 CYS C C 57 173.000 174.677 -1.677 1
1 154 . 9 1 1 A 57 57 CYS CA C 57 54.900 58.740 -3.840 1
1 155 . 9 1 1 A 57 57 CYS CB C 57 25.000 27.281 -2.281 1
1 156 . 9 1 1 A 57 57 CYS N N 57 123.000 119.119 3.881 1
1 157 . 9 1 1 A 58 58 PRO HA H 58 4.200 4.592 -0.392 1
1 162 . 9 1 1 A 58 58 PRO CA C 58 62.700 62.748 -0.048 1
1 163 . 9 1 1 A 58 58 PRO CB C 58 29.300 29.566 -0.266 1
1 166 . 9 1 1 A 59 59 CYS HA H 59 4.390 4.541 -0.151 1
1 168 . 9 1 1 A 59 59 CYS CA C 59 57.000 59.649 -2.649 1
1 169 . 9 1 1 A 59 59 CYS CB C 59 24.400 28.401 -4.001 1
1 170 . 9 1 1 A 60 60 LEU H H 60 7.500 8.025 -0.525 1
1 171 . 9 1 1 A 60 60 LEU HA H 60 4.180 3.940 0.240 1
1 181 . 9 1 1 A 60 60 LEU C C 60 175.700 178.420 -2.720 1
1 182 . 9 1 1 A 60 60 LEU CA C 60 52.000 58.010 -6.010 1
1 183 . 9 1 1 A 60 60 LEU CB C 60 39.000 41.777 -2.777 1
1 187 . 9 1 1 A 60 60 LEU N N 60 117.700 122.176 -4.476 1
1 188 . 9 1 1 A 61 61 GLY H H 61 7.880 7.814 0.066 1
1 189 . 9 1 1 A 61 61 GLY HA2 H 61 3.830 3.746 0.084 1
1 190 . 9 1 1 A 61 61 GLY HA3 H 61 3.680 3.799 -0.119 1
1 191 . 9 1 1 A 61 61 GLY C C 61 172.700 176.939 -4.239 1
1 192 . 9 1 1 A 61 61 GLY CA C 61 44.700 47.270 -2.570 1
1 193 . 9 1 1 A 61 61 GLY N N 61 105.700 106.672 -0.972 1
1 194 . 9 1 1 A 62 62 GLY H H 62 8.580 8.481 0.099 1
1 195 . 9 1 1 A 62 62 GLY HA2 H 62 3.810 3.714 0.096 1
1 196 . 9 1 1 A 62 62 GLY HA3 H 62 3.680 3.719 -0.039 1
1 197 . 9 1 1 A 62 62 GLY C C 62 174.000 176.105 -2.105 1
1 198 . 9 1 1 A 62 62 GLY CA C 62 42.800 46.880 -4.080 1
1 199 . 9 1 1 A 62 62 GLY N N 62 108.500 109.851 -1.351 1
1 200 . 9 1 1 A 63 63 MET H H 63 7.460 7.265 0.195 1
1 201 . 9 1 1 A 63 63 MET HA H 63 3.870 3.760 0.110 1
1 206 . 9 1 1 A 63 63 MET C C 63 174.600 177.023 -2.423 1
1 207 . 9 1 1 A 63 63 MET CA C 63 54.400 57.724 -3.324 1
1 208 . 9 1 1 A 63 63 MET CB C 63 27.600 31.368 -3.768 1
1 210 . 9 1 1 A 63 63 MET N N 63 118.500 119.615 -1.115 1
1 211 . 9 1 1 A 64 64 ALA H H 64 8.080 7.125 0.955 1
1 212 . 9 1 1 A 64 64 ALA HA H 64 4.220 4.073 0.147 1
1 216 . 9 1 1 A 64 64 ALA C C 64 173.800 177.051 -3.251 1
1 217 . 9 1 1 A 64 64 ALA CA C 64 50.400 51.642 -1.242 1
1 218 . 9 1 1 A 64 64 ALA CB C 64 16.500 19.083 -2.583 1
1 219 . 9 1 1 A 64 64 ALA N N 64 117.500 119.819 -2.319 1
1 220 . 9 1 1 A 65 65 SER H H 65 7.460 7.771 -0.311 1
1 221 . 9 1 1 A 65 65 SER HA H 65 4.570 4.507 0.063 1
1 224 . 9 1 1 A 65 65 SER C C 65 171.500 173.858 -2.358 1
1 225 . 9 1 1 A 65 65 SER CA C 65 54.800 57.524 -2.724 1
1 226 . 9 1 1 A 65 65 SER CB C 65 61.800 64.573 -2.773 1
1 227 . 9 1 1 A 65 65 SER N N 65 111.200 113.942 -2.742 1
1 228 . 9 1 1 A 66 66 GLY H H 66 7.480 8.498 -1.018 1
1 229 . 9 1 1 A 66 66 GLY HA2 H 66 3.980 3.915 0.065 1
1 230 . 9 1 1 A 66 66 GLY HA3 H 66 4.030 4.050 -0.020 1
1 231 . 9 1 1 A 66 66 GLY C C 66 170.600 174.062 -3.462 1
1 232 . 9 1 1 A 66 66 GLY CA C 66 42.000 44.551 -2.551 1
1 233 . 9 1 1 A 66 66 GLY N N 66 108.800 110.026 -1.226 1
1 234 . 9 1 1 A 67 67 PRO HA H 67 4.210 4.280 -0.070 1
1 241 . 9 1 1 A 67 67 PRO CA C 67 62.000 65.172 -3.172 1
1 242 . 9 1 1 A 67 67 PRO CB C 67 28.900 31.487 -2.587 1
1 245 . 9 1 1 A 68 68 CYS H H 68 7.700 7.815 -0.115 1
1 246 . 9 1 1 A 68 68 CYS HA H 68 5.450 4.474 0.976 1
1 249 . 9 1 1 A 68 68 CYS C C 68 173.500 175.561 -2.061 1
1 250 . 9 1 1 A 68 68 CYS CA C 68 49.500 58.100 -8.600 1
1 251 . 9 1 1 A 68 68 CYS CB C 68 36.200 42.180 -5.980 1
1 252 . 9 1 1 A 68 68 CYS N N 68 115.300 114.302 0.998 1
1 253 . 9 1 1 A 69 69 GLY H H 69 7.840 8.273 -0.433 1
1 254 . 9 1 1 A 69 69 GLY HA2 H 69 3.950 3.722 0.228 1
1 255 . 9 1 1 A 69 69 GLY HA3 H 69 3.550 3.749 -0.199 1
1 256 . 9 1 1 A 69 69 GLY C C 69 173.300 176.109 -2.809 1
1 257 . 9 1 1 A 69 69 GLY CA C 69 45.200 46.981 -1.781 1
1 258 . 9 1 1 A 69 69 GLY N N 69 110.200 109.636 0.564 1
1 259 . 9 1 1 A 70 70 GLU H H 70 8.650 8.796 -0.146 1
1 260 . 9 1 1 A 70 70 GLU HA H 70 3.760 3.921 -0.161 1
1 265 . 9 1 1 A 70 70 GLU C C 70 176.800 178.431 -1.631 1
1 266 . 9 1 1 A 70 70 GLU CA C 70 56.300 59.193 -2.893 1
1 267 . 9 1 1 A 70 70 GLU CB C 70 26.000 29.031 -3.031 1
1 269 . 9 1 1 A 70 70 GLU N N 70 120.000 120.782 -0.782 1
1 270 . 9 1 1 A 71 71 GLN H H 71 8.860 7.833 1.027 1
1 271 . 9 1 1 A 71 71 GLN HA H 71 3.850 3.996 -0.146 1
1 278 . 9 1 1 A 71 71 GLN C C 71 177.400 178.220 -0.820 1
1 279 . 9 1 1 A 71 71 GLN CA C 71 57.200 58.552 -1.352 1
1 280 . 9 1 1 A 71 71 GLN CB C 71 24.400 28.766 -4.366 1
1 282 . 9 1 1 A 71 71 GLN N N 71 120.800 119.122 1.678 1
1 284 . 9 1 1 A 72 72 PHE H H 72 8.890 7.817 1.073 1
1 285 . 9 1 1 A 72 72 PHE HA H 72 4.200 3.935 0.265 1
1 291 . 9 1 1 A 72 72 PHE C C 72 173.500 177.643 -4.143 1
1 292 . 9 1 1 A 72 72 PHE CA C 72 59.000 61.234 -2.234 1
1 293 . 9 1 1 A 72 72 PHE CB C 72 36.000 39.235 -3.235 1
1 294 . 9 1 1 A 72 72 PHE N N 72 123.400 121.482 1.918 1
1 295 . 9 1 1 A 73 73 LYS H H 73 8.480 8.218 0.262 1
1 296 . 9 1 1 A 73 73 LYS HA H 73 3.430 3.606 -0.176 1
1 304 . 9 1 1 A 73 73 LYS C C 73 177.600 178.606 -1.006 1
1 305 . 9 1 1 A 73 73 LYS CA C 73 56.700 59.394 -2.694 1
1 306 . 9 1 1 A 73 73 LYS CB C 73 29.600 31.838 -2.238 1
1 310 . 9 1 1 A 73 73 LYS N N 73 119.900 118.398 1.502 1
1 311 . 9 1 1 A 74 74 SER H H 74 7.780 7.892 -0.112 1
1 312 . 9 1 1 A 74 74 SER HA H 74 4.120 4.158 -0.038 1
1 315 . 9 1 1 A 74 74 SER C C 74 174.300 177.163 -2.863 1
1 316 . 9 1 1 A 74 74 SER CA C 74 58.700 61.549 -2.849 1
1 317 . 9 1 1 A 74 74 SER CB C 74 59.900 62.938 -3.038 1
1 318 . 9 1 1 A 74 74 SER N N 74 114.200 114.552 -0.352 1
1 319 . 9 1 1 A 75 75 ALA H H 75 7.870 8.292 -0.422 1
1 320 . 9 1 1 A 75 75 ALA HA H 75 3.840 3.771 0.069 1
1 324 . 9 1 1 A 75 75 ALA C C 75 175.100 179.681 -4.581 1
1 325 . 9 1 1 A 75 75 ALA CA C 75 53.200 54.701 -1.501 1
1 326 . 9 1 1 A 75 75 ALA CB C 75 15.500 18.026 -2.526 1
1 327 . 9 1 1 A 75 75 ALA N N 75 123.100 122.429 0.671 1
1 328 . 9 1 1 A 76 76 PHE H H 76 9.450 7.918 1.532 1
1 329 . 9 1 1 A 76 76 PHE HA H 76 3.700 4.357 -0.657 1
1 334 . 9 1 1 A 76 76 PHE C C 76 174.600 177.807 -3.207 1
1 335 . 9 1 1 A 76 76 PHE CA C 76 59.600 61.072 -1.472 1
1 336 . 9 1 1 A 76 76 PHE CB C 76 35.800 38.990 -3.190 1
1 337 . 9 1 1 A 76 76 PHE N N 76 118.800 119.456 -0.656 1
1 338 . 9 1 1 A 77 77 SER H H 77 8.550 8.711 -0.161 1
1 339 . 9 1 1 A 77 77 SER HA H 77 4.130 3.985 0.145 1
1 341 . 9 1 1 A 77 77 SER C C 77 172.200 176.573 -4.373 1
1 342 . 9 1 1 A 77 77 SER CA C 77 60.100 61.607 -1.507 1
1 343 . 9 1 1 A 77 77 SER CB C 77 59.800 62.069 -2.269 1
1 344 . 9 1 1 A 77 77 SER N N 77 113.200 113.743 -0.543 1
1 345 . 9 1 1 A 78 78 CYS H H 78 7.430 8.260 -0.830 1
1 346 . 9 1 1 A 78 78 CYS HA H 78 4.080 4.069 0.011 1
1 349 . 9 1 1 A 78 78 CYS C C 78 174.000 175.954 -1.954 1
1 350 . 9 1 1 A 78 78 CYS CA C 78 57.900 60.381 -2.481 1
1 351 . 9 1 1 A 78 78 CYS CB C 78 36.400 40.171 -3.771 1
1 352 . 9 1 1 A 78 78 CYS N N 78 118.900 119.761 -0.861 1
1 353 . 9 1 1 A 79 79 PHE H H 79 8.270 8.408 -0.138 1
1 354 . 9 1 1 A 79 79 PHE HA H 79 3.740 4.270 -0.530 1
1 359 . 9 1 1 A 79 79 PHE C C 79 173.600 177.246 -3.646 1
1 360 . 9 1 1 A 79 79 PHE CA C 79 59.200 61.719 -2.519 1
1 361 . 9 1 1 A 79 79 PHE CB C 79 37.000 39.370 -2.370 1
1 362 . 9 1 1 A 79 79 PHE N N 79 120.400 122.165 -1.765 1
1 363 . 9 1 1 A 80 80 HIS H H 80 8.840 8.003 0.837 1
1 364 . 9 1 1 A 80 80 HIS HA H 80 3.460 3.782 -0.322 1
1 368 . 9 1 1 A 80 80 HIS C C 80 175.700 176.834 -1.134 1
1 369 . 9 1 1 A 80 80 HIS CA C 80 57.000 59.350 -2.350 1
1 370 . 9 1 1 A 80 80 HIS CB C 80 28.300 29.703 -1.403 1
1 371 . 9 1 1 A 80 80 HIS N N 80 118.400 117.760 0.640 1
1 372 . 9 1 1 A 81 81 TYR H H 81 7.710 8.251 -0.541 1
1 373 . 9 1 1 A 81 81 TYR HA H 81 4.080 4.068 0.012 1
1 378 . 9 1 1 A 81 81 TYR C C 81 172.400 177.789 -5.389 1
1 379 . 9 1 1 A 81 81 TYR CA C 81 56.100 61.612 -5.512 1
1 380 . 9 1 1 A 81 81 TYR CB C 81 34.800 37.797 -2.997 1
1 381 . 9 1 1 A 81 81 TYR N N 81 113.400 116.810 -3.410 1
1 382 . 9 1 1 A 82 82 SER H H 82 7.070 8.016 -0.946 1
1 383 . 9 1 1 A 82 82 SER HA H 82 4.410 4.309 0.101 1
1 386 . 9 1 1 A 82 82 SER C C 82 174.500 174.405 0.095 1
1 387 . 9 1 1 A 82 82 SER CA C 82 56.300 61.101 -4.801 1
1 388 . 9 1 1 A 82 82 SER CB C 82 59.200 63.327 -4.127 1
1 389 . 9 1 1 A 82 82 SER N N 82 115.600 116.404 -0.804 1
1 390 . 9 1 1 A 83 83 THR H H 83 9.290 7.985 1.305 1
1 391 . 9 1 1 A 83 83 THR HA H 83 4.400 3.873 0.527 1
1 396 . 9 1 1 A 83 83 THR C C 83 172.200 174.355 -2.155 1
1 397 . 9 1 1 A 83 83 THR CA C 83 57.500 63.294 -5.794 1
1 398 . 9 1 1 A 83 83 THR CB C 83 65.800 66.697 -0.897 1
1 400 . 9 1 1 A 83 83 THR N N 83 120.400 114.247 6.153 1
1 401 . 9 1 1 A 84 84 GLU H H 84 7.170 8.051 -0.881 1
1 402 . 9 1 1 A 84 84 GLU HA H 84 3.860 4.067 -0.207 1
1 406 . 9 1 1 A 84 84 GLU C C 84 173.300 176.801 -3.501 1
1 407 . 9 1 1 A 84 84 GLU CA C 84 53.100 59.296 -6.196 1
1 408 . 9 1 1 A 84 84 GLU CB C 84 28.400 29.680 -1.280 1
1 410 . 9 1 1 A 84 84 GLU N N 84 121.600 122.588 -0.988 1
1 411 . 9 1 1 A 85 85 GLU H H 85 8.390 7.702 0.688 1
1 412 . 9 1 1 A 85 85 GLU HA H 85 3.730 4.640 -0.910 1
1 417 . 9 1 1 A 85 85 GLU C C 85 175.500 175.548 -0.048 1
1 418 . 9 1 1 A 85 85 GLU CA C 85 56.700 57.855 -1.155 1
1 419 . 9 1 1 A 85 85 GLU CB C 85 26.900 31.445 -4.545 1
1 421 . 9 1 1 A 85 85 GLU N N 85 121.800 114.200 7.600 1
1 422 . 9 1 1 A 86 86 ILE H H 86 8.060 8.056 0.004 1
1 423 . 9 1 1 A 86 86 ILE HA H 86 4.060 4.477 -0.417 1
1 433 . 9 1 1 A 86 86 ILE C C 86 172.400 175.678 -3.278 1
1 434 . 9 1 1 A 86 86 ILE CA C 86 56.800 60.374 -3.574 1
1 435 . 9 1 1 A 86 86 ILE CB C 86 32.700 39.588 -6.888 1
1 439 . 9 1 1 A 86 86 ILE N N 86 117.800 120.715 -2.915 1
1 440 . 9 1 1 A 87 87 LYS H H 87 8.200 8.420 -0.220 1
1 441 . 9 1 1 A 87 87 LYS HA H 87 3.470 1.757 1.713 1
1 450 . 9 1 1 A 87 87 LYS C C 87 175.200 176.677 -1.477 1
1 451 . 9 1 1 A 87 87 LYS CA C 87 56.800 57.649 -0.849 1
1 452 . 9 1 1 A 87 87 LYS CB C 87 30.300 31.623 -1.323 1
1 456 . 9 1 1 A 87 87 LYS N N 87 130.300 127.454 2.846 1
1 457 . 9 1 1 A 88 88 GLY H H 88 8.820 8.209 0.611 1
1 458 . 9 1 1 A 88 88 GLY HA2 H 88 4.440 2.819 1.621 1
1 459 . 9 1 1 A 88 88 GLY HA3 H 88 3.560 3.882 -0.322 1
1 460 . 9 1 1 A 88 88 GLY C C 88 172.800 175.175 -2.375 1
1 461 . 9 1 1 A 88 88 GLY CA C 88 42.800 45.085 -2.285 1
1 462 . 9 1 1 A 88 88 GLY N N 88 110.400 113.301 -2.901 1
1 463 . 9 1 1 A 89 89 SER H H 89 8.570 8.101 0.469 1
1 464 . 9 1 1 A 89 89 SER HA H 89 4.040 4.116 -0.076 1
1 467 . 9 1 1 A 89 89 SER C C 89 171.300 175.027 -3.727 1
1 468 . 9 1 1 A 89 89 SER CA C 89 58.200 61.150 -2.950 1
1 469 . 9 1 1 A 89 89 SER CB C 89 59.200 62.993 -3.793 1
1 470 . 9 1 1 A 89 89 SER N N 89 118.000 115.482 2.518 1
1 471 . 9 1 1 A 90 90 ASP H H 90 10.480 8.227 2.253 1
1 472 . 9 1 1 A 90 90 ASP HA H 90 4.580 4.663 -0.083 1
1 475 . 9 1 1 A 90 90 ASP C C 90 173.500 177.004 -3.504 1
1 476 . 9 1 1 A 90 90 ASP CA C 90 50.500 53.751 -3.251 1
1 477 . 9 1 1 A 90 90 ASP CB C 90 34.900 41.212 -6.312 1
1 478 . 9 1 1 A 90 90 ASP N N 90 116.400 119.028 -2.628 1
1 479 . 9 1 1 A 91 91 CYS H H 91 7.420 7.954 -0.534 1
1 480 . 9 1 1 A 91 91 CYS HA H 91 5.180 5.000 0.180 1
1 483 . 9 1 1 A 91 91 CYS C C 91 172.800 174.298 -1.498 1
1 484 . 9 1 1 A 91 91 CYS CA C 91 50.600 56.023 -5.423 1
1 485 . 9 1 1 A 91 91 CYS CB C 91 38.000 44.160 -6.160 1
1 486 . 9 1 1 A 91 91 CYS N N 91 117.300 117.772 -0.472 1
1 487 . 9 1 1 A 92 92 VAL H H 92 7.320 7.642 -0.322 1
1 488 . 9 1 1 A 92 92 VAL HA H 92 3.470 3.648 -0.178 1
1 496 . 9 1 1 A 92 92 VAL C C 92 175.700 177.594 -1.894 1
1 497 . 9 1 1 A 92 92 VAL CA C 92 64.000 66.305 -2.305 1
1 498 . 9 1 1 A 92 92 VAL CB C 92 29.300 31.534 -2.234 1
1 501 . 9 1 1 A 92 92 VAL N N 92 120.500 122.137 -1.637 1
1 502 . 9 1 1 A 93 93 ASP H H 93 8.870 8.363 0.507 1
1 503 . 9 1 1 A 93 93 ASP HA H 93 4.280 4.332 -0.052 1
1 505 . 9 1 1 A 93 93 ASP C C 93 176.500 178.585 -2.085 1
1 506 . 9 1 1 A 93 93 ASP CA C 93 55.100 57.414 -2.314 1
1 507 . 9 1 1 A 93 93 ASP CB C 93 36.800 41.026 -4.226 1
1 508 . 9 1 1 A 93 93 ASP N N 93 120.500 120.909 -0.409 1
1 509 . 9 1 1 A 94 94 GLN H H 94 9.140 8.164 0.976 1
1 510 . 9 1 1 A 94 94 GLN HA H 94 3.920 4.033 -0.113 1
1 517 . 9 1 1 A 94 94 GLN C C 94 178.100 179.051 -0.951 1
1 518 . 9 1 1 A 94 94 GLN CA C 94 57.100 58.992 -1.892 1
1 519 . 9 1 1 A 94 94 GLN CB C 94 24.500 28.447 -3.947 1
1 521 . 9 1 1 A 94 94 GLN N N 94 121.800 117.368 4.432 1
1 523 . 9 1 1 A 95 95 PHE H H 95 8.920 7.775 1.145 1
1 524 . 9 1 1 A 95 95 PHE HA H 95 4.130 4.183 -0.053 1
1 529 . 9 1 1 A 95 95 PHE C C 95 175.100 178.153 -3.053 1
1 530 . 9 1 1 A 95 95 PHE CA C 95 57.500 60.787 -3.287 1
1 531 . 9 1 1 A 95 95 PHE CB C 95 34.500 38.413 -3.913 1
1 532 . 9 1 1 A 95 95 PHE N N 95 122.500 119.613 2.887 1
1 533 . 9 1 1 A 96 96 ARG H H 96 8.500 8.644 -0.144 1
1 534 . 9 1 1 A 96 96 ARG HA H 96 4.040 4.141 -0.101 1
1 540 . 9 1 1 A 96 96 ARG C C 96 175.700 177.992 -2.292 1
1 541 . 9 1 1 A 96 96 ARG CA C 96 56.800 59.470 -2.670 1
1 542 . 9 1 1 A 96 96 ARG CB C 96 26.800 29.745 -2.945 1
1 545 . 9 1 1 A 96 96 ARG N N 96 121.600 121.087 0.513 1
1 546 . 9 1 1 A 97 97 ALA H H 97 7.960 8.299 -0.339 1
1 547 . 9 1 1 A 97 97 ALA HA H 97 4.110 4.064 0.046 1
1 551 . 9 1 1 A 97 97 ALA C C 97 178.600 179.881 -1.281 1
1 552 . 9 1 1 A 97 97 ALA CA C 97 52.100 55.203 -3.103 1
1 553 . 9 1 1 A 97 97 ALA CB C 97 15.200 18.004 -2.804 1
1 554 . 9 1 1 A 97 97 ALA N N 97 120.300 122.165 -1.865 1
1 555 . 9 1 1 A 98 98 MET H H 98 7.600 8.198 -0.598 1
1 556 . 9 1 1 A 98 98 MET HA H 98 3.830 4.144 -0.314 1
1 559 . 9 1 1 A 98 98 MET C C 98 173.900 178.200 -4.300 1
1 560 . 9 1 1 A 98 98 MET CA C 98 56.400 58.173 -1.773 1
1 561 . 9 1 1 A 98 98 MET CB C 98 30.100 32.175 -2.075 1
1 563 . 9 1 1 A 98 98 MET N N 98 118.400 118.589 -0.189 1
1 564 . 9 1 1 A 99 99 GLN H H 99 8.410 8.497 -0.087 1
1 565 . 9 1 1 A 99 99 GLN HA H 99 3.800 4.008 -0.208 1
1 569 . 9 1 1 A 99 99 GLN C C 99 173.400 177.975 -4.575 1
1 570 . 9 1 1 A 99 99 GLN CA C 99 56.800 59.224 -2.424 1
1 571 . 9 1 1 A 99 99 GLN CB C 99 25.900 28.369 -2.469 1
1 573 . 9 1 1 A 99 99 GLN N N 99 120.800 119.197 1.603 1
1 574 . 9 1 1 A 100 100 GLU H H 100 8.510 8.679 -0.169 1
1 575 . 9 1 1 A 100 100 GLU HA H 100 3.820 3.974 -0.154 1
1 580 . 9 1 1 A 100 100 GLU C C 100 175.900 178.689 -2.789 1
1 581 . 9 1 1 A 100 100 GLU CA C 100 56.500 59.417 -2.917 1
1 582 . 9 1 1 A 100 100 GLU CB C 100 26.900 29.129 -2.229 1
1 584 . 9 1 1 A 100 100 GLU N N 100 117.600 116.655 0.945 1
1 585 . 9 1 1 A 101 101 CYS H H 101 7.310 7.533 -0.223 1
1 586 . 9 1 1 A 101 101 CYS HA H 101 4.230 4.126 0.104 1
1 589 . 9 1 1 A 101 101 CYS C C 101 173.800 176.652 -2.852 1
1 590 . 9 1 1 A 101 101 CYS CA C 101 57.800 59.416 -1.616 1
1 591 . 9 1 1 A 101 101 CYS CB C 101 36.500 42.029 -5.529 1
1 592 . 9 1 1 A 101 101 CYS N N 101 117.800 119.247 -1.447 1
1 593 . 9 1 1 A 102 102 MET H H 102 8.400 8.483 -0.083 1
1 594 . 9 1 1 A 102 102 MET HA H 102 3.820 4.468 -0.648 1
1 599 . 9 1 1 A 102 102 MET C C 102 177.100 177.188 -0.088 1
1 600 . 9 1 1 A 102 102 MET CA C 102 57.100 56.870 0.230 1
1 601 . 9 1 1 A 102 102 MET CB C 102 30.200 31.847 -1.647 1
1 603 . 9 1 1 A 102 102 MET N N 102 119.100 119.456 -0.356 1
1 604 . 9 1 1 A 103 103 GLN H H 103 7.850 7.832 0.018 1
1 605 . 9 1 1 A 103 103 GLN HA H 103 3.960 4.293 -0.333 1
1 612 . 9 1 1 A 103 103 GLN C C 103 174.000 176.827 -2.827 1
1 613 . 9 1 1 A 103 103 GLN CA C 103 55.000 57.027 -2.027 1
1 614 . 9 1 1 A 103 103 GLN CB C 103 25.900 29.012 -3.112 1
1 616 . 9 1 1 A 103 103 GLN N N 103 117.200 116.555 0.645 1
1 618 . 9 1 1 A 104 104 LYS H H 104 7.470 7.475 -0.005 1
1 619 . 9 1 1 A 104 104 LYS HA H 104 3.880 4.148 -0.268 1
1 626 . 9 1 1 A 104 104 LYS C C 104 173.200 175.967 -2.767 1
1 627 . 9 1 1 A 104 104 LYS CA C 104 54.600 57.620 -3.020 1
1 628 . 9 1 1 A 104 104 LYS CB C 104 29.600 33.260 -3.660 1
1 632 . 9 1 1 A 104 104 LYS N N 104 116.700 118.157 -1.457 1
1 633 . 9 1 1 A 105 105 TYR H H 105 7.390 7.585 -0.195 1
1 634 . 9 1 1 A 105 105 TYR HA H 105 5.040 4.915 0.125 1
1 639 . 9 1 1 A 105 105 TYR C C 105 170.800 175.347 -4.547 1
1 640 . 9 1 1 A 105 105 TYR CA C 105 52.300 55.709 -3.409 1
1 641 . 9 1 1 A 105 105 TYR CB C 105 36.700 38.842 -2.142 1
1 642 . 9 1 1 A 105 105 TYR N N 105 115.700 118.178 -2.478 1
1 643 . 9 1 1 A 106 106 PRO HA H 106 4.470 4.593 -0.123 1
1 650 . 9 1 1 A 106 106 PRO CA C 106 61.800 64.612 -2.812 1
1 651 . 9 1 1 A 106 106 PRO CB C 106 29.000 32.110 -3.110 1
1 654 . 9 1 1 A 107 107 ASP H H 107 8.750 7.798 0.952 1
1 655 . 9 1 1 A 107 107 ASP HA H 107 4.310 4.267 0.043 1
1 658 . 9 1 1 A 107 107 ASP C C 107 174.000 175.375 -1.375 1
1 659 . 9 1 1 A 107 107 ASP CA C 107 52.200 52.975 -0.775 1
1 660 . 9 1 1 A 107 107 ASP CB C 107 36.800 41.921 -5.121 1
1 661 . 9 1 1 A 107 107 ASP N N 107 114.800 115.887 -1.087 1
1 662 . 9 1 1 A 108 108 LEU H H 108 7.270 7.594 -0.324 1
1 663 . 9 1 1 A 108 108 LEU HA H 108 4.030 3.865 0.165 1
1 673 . 9 1 1 A 108 108 LEU C C 108 173.800 176.950 -3.150 1
1 674 . 9 1 1 A 108 108 LEU CA C 108 52.500 56.515 -4.015 1
1 675 . 9 1 1 A 108 108 LEU CB C 108 40.000 41.525 -1.525 1
1 679 . 9 1 1 A 108 108 LEU N N 108 118.900 119.050 -0.150 1
1 7 . 10 1 1 A 46 46 LEU HA H 46 3.970 4.219 -0.249 1
1 17 . 10 1 1 A 46 46 LEU CA C 46 55.000 55.273 -0.273 1
1 18 . 10 1 1 A 46 46 LEU CB C 46 40.300 40.868 -0.568 1
1 22 . 10 1 1 A 47 47 ILE H H 47 7.570 7.389 0.181 1
1 23 . 10 1 1 A 47 47 ILE HA H 47 4.270 4.469 -0.199 1
1 33 . 10 1 1 A 47 47 ILE C C 47 174.500 174.847 -0.347 1
1 34 . 10 1 1 A 47 47 ILE CA C 47 54.600 60.154 -5.554 1
1 35 . 10 1 1 A 47 47 ILE CB C 47 34.500 41.650 -7.150 1
1 39 . 10 1 1 A 47 47 ILE N N 47 115.000 120.179 -5.179 1
1 40 . 10 1 1 A 48 48 LEU H H 48 8.760 8.883 -0.123 1
1 41 . 10 1 1 A 48 48 LEU HA H 48 4.260 4.432 -0.172 1
1 51 . 10 1 1 A 48 48 LEU C C 48 174.400 176.856 -2.456 1
1 52 . 10 1 1 A 48 48 LEU CA C 48 51.200 52.927 -1.727 1
1 53 . 10 1 1 A 48 48 LEU CB C 48 37.800 41.394 -3.594 1
1 57 . 10 1 1 A 48 48 LEU N N 48 127.400 127.521 -0.121 1
1 58 . 10 1 1 A 49 49 PRO HA H 49 4.170 4.511 -0.341 1
1 63 . 10 1 1 A 49 49 PRO CA C 49 62.500 64.242 -1.742 1
1 64 . 10 1 1 A 49 49 PRO CB C 49 28.900 31.613 -2.713 1
1 67 . 10 1 1 A 50 50 ASN H H 50 7.180 7.823 -0.643 1
1 68 . 10 1 1 A 50 50 ASN HA H 50 4.420 4.586 -0.166 1
1 73 . 10 1 1 A 50 50 ASN C C 50 173.700 175.771 -2.071 1
1 74 . 10 1 1 A 50 50 ASN CA C 50 49.500 52.614 -3.114 1
1 75 . 10 1 1 A 50 50 ASN CB C 50 34.400 38.321 -3.921 1
1 76 . 10 1 1 A 50 50 ASN N N 50 111.000 113.285 -2.285 1
1 78 . 10 1 1 A 51 51 GLY H H 51 8.370 7.815 0.555 1
1 79 . 10 1 1 A 51 51 GLY HA2 H 51 4.220 4.022 0.198 1
1 80 . 10 1 1 A 51 51 GLY HA3 H 51 3.400 4.066 -0.666 1
1 81 . 10 1 1 A 51 51 GLY C C 51 171.500 174.636 -3.136 1
1 82 . 10 1 1 A 51 51 GLY CA C 51 42.200 45.143 -2.943 1
1 83 . 10 1 1 A 51 51 GLY N N 51 108.400 108.303 0.097 1
1 84 . 10 1 1 A 52 52 ASN H H 52 7.810 7.642 0.168 1
1 85 . 10 1 1 A 52 52 ASN HA H 52 4.670 4.736 -0.066 1
1 90 . 10 1 1 A 52 52 ASN C C 52 170.900 175.152 -4.252 1
1 91 . 10 1 1 A 52 52 ASN CA C 52 49.400 53.501 -4.101 1
1 92 . 10 1 1 A 52 52 ASN CB C 52 36.100 39.412 -3.312 1
1 93 . 10 1 1 A 52 52 ASN N N 52 119.100 118.766 0.334 1
1 95 . 10 1 1 A 53 53 ILE H H 53 8.070 8.690 -0.620 1
1 96 . 10 1 1 A 53 53 ILE HA H 53 3.470 3.969 -0.499 1
1 106 . 10 1 1 A 53 53 ILE C C 53 172.300 175.233 -2.933 1
1 107 . 10 1 1 A 53 53 ILE CA C 53 59.100 61.036 -1.936 1
1 108 . 10 1 1 A 53 53 ILE CB C 53 36.000 37.915 -1.915 1
1 112 . 10 1 1 A 53 53 ILE N N 53 120.100 121.179 -1.079 1
1 113 . 10 1 1 A 54 54 ASN H H 54 8.700 7.708 0.992 1
1 114 . 10 1 1 A 54 54 ASN HA H 54 4.350 4.190 0.160 1
1 119 . 10 1 1 A 54 54 ASN C C 54 172.300 175.483 -3.183 1
1 120 . 10 1 1 A 54 54 ASN CA C 54 47.500 53.614 -6.114 1
1 121 . 10 1 1 A 54 54 ASN CB C 54 34.200 36.618 -2.418 1
1 122 . 10 1 1 A 54 54 ASN N N 54 123.200 118.506 4.694 1
1 124 . 10 1 1 A 55 55 TRP H H 55 7.520 7.397 0.123 1
1 125 . 10 1 1 A 55 55 TRP HA H 55 4.300 4.548 -0.248 1
1 134 . 10 1 1 A 55 55 TRP C C 55 172.100 177.475 -5.375 1
1 135 . 10 1 1 A 55 55 TRP CA C 55 55.200 58.944 -3.744 1
1 136 . 10 1 1 A 55 55 TRP CB C 55 26.400 28.547 -2.147 1
1 137 . 10 1 1 A 55 55 TRP N N 55 124.600 121.225 3.375 1
1 138 . 10 1 1 A 56 56 ASN H H 56 7.380 7.575 -0.195 1
1 139 . 10 1 1 A 56 56 ASN HA H 56 4.720 4.827 -0.107 1
1 144 . 10 1 1 A 56 56 ASN C C 56 172.100 175.581 -3.481 1
1 145 . 10 1 1 A 56 56 ASN CA C 56 49.500 53.677 -4.177 1
1 146 . 10 1 1 A 56 56 ASN CB C 56 36.200 38.958 -2.758 1
1 147 . 10 1 1 A 56 56 ASN N N 56 112.500 116.828 -4.328 1
1 149 . 10 1 1 A 57 57 CYS H H 57 7.460 7.307 0.153 1
1 150 . 10 1 1 A 57 57 CYS HA H 57 4.280 4.439 -0.159 1
1 153 . 10 1 1 A 57 57 CYS C C 57 173.000 174.922 -1.922 1
1 154 . 10 1 1 A 57 57 CYS CA C 57 54.900 58.630 -3.730 1
1 155 . 10 1 1 A 57 57 CYS CB C 57 25.000 27.170 -2.170 1
1 156 . 10 1 1 A 57 57 CYS N N 57 123.000 118.674 4.326 1
1 157 . 10 1 1 A 58 58 PRO HA H 58 4.200 4.380 -0.180 1
1 162 . 10 1 1 A 58 58 PRO CA C 58 62.700 65.811 -3.111 1
1 163 . 10 1 1 A 58 58 PRO CB C 58 29.300 31.550 -2.250 1
1 166 . 10 1 1 A 59 59 CYS HA H 59 4.390 4.245 0.145 1
1 168 . 10 1 1 A 59 59 CYS CA C 59 57.000 62.665 -5.665 1
1 169 . 10 1 1 A 59 59 CYS CB C 59 24.400 27.736 -3.336 1
1 170 . 10 1 1 A 60 60 LEU H H 60 7.500 8.209 -0.709 1
1 171 . 10 1 1 A 60 60 LEU HA H 60 4.180 4.204 -0.024 1
1 181 . 10 1 1 A 60 60 LEU C C 60 175.700 179.037 -3.337 1
1 182 . 10 1 1 A 60 60 LEU CA C 60 52.000 58.000 -6.000 1
1 183 . 10 1 1 A 60 60 LEU CB C 60 39.000 41.948 -2.948 1
1 187 . 10 1 1 A 60 60 LEU N N 60 117.700 121.985 -4.285 1
1 188 . 10 1 1 A 61 61 GLY H H 61 7.880 8.284 -0.404 1
1 189 . 10 1 1 A 61 61 GLY HA2 H 61 3.830 3.806 0.024 1
1 190 . 10 1 1 A 61 61 GLY HA3 H 61 3.680 3.908 -0.228 1
1 191 . 10 1 1 A 61 61 GLY C C 61 172.700 176.053 -3.353 1
1 192 . 10 1 1 A 61 61 GLY CA C 61 44.700 47.669 -2.969 1
1 193 . 10 1 1 A 61 61 GLY N N 61 105.700 106.748 -1.048 1
1 194 . 10 1 1 A 62 62 GLY H H 62 8.580 8.496 0.084 1
1 195 . 10 1 1 A 62 62 GLY HA2 H 62 3.810 3.893 -0.083 1
1 196 . 10 1 1 A 62 62 GLY HA3 H 62 3.680 3.901 -0.221 1
1 197 . 10 1 1 A 62 62 GLY C C 62 174.000 175.995 -1.995 1
1 198 . 10 1 1 A 62 62 GLY CA C 62 42.800 47.227 -4.427 1
1 199 . 10 1 1 A 62 62 GLY N N 62 108.500 110.022 -1.522 1
1 200 . 10 1 1 A 63 63 MET H H 63 7.460 8.399 -0.939 1
1 201 . 10 1 1 A 63 63 MET HA H 63 3.870 4.179 -0.309 1
1 206 . 10 1 1 A 63 63 MET C C 63 174.600 177.772 -3.172 1
1 207 . 10 1 1 A 63 63 MET CA C 63 54.400 58.215 -3.815 1
1 208 . 10 1 1 A 63 63 MET CB C 63 27.600 32.242 -4.642 1
1 210 . 10 1 1 A 63 63 MET N N 63 118.500 120.066 -1.566 1
1 211 . 10 1 1 A 64 64 ALA H H 64 8.080 7.729 0.351 1
1 212 . 10 1 1 A 64 64 ALA HA H 64 4.220 4.192 0.028 1
1 216 . 10 1 1 A 64 64 ALA C C 64 173.800 177.847 -4.047 1
1 217 . 10 1 1 A 64 64 ALA CA C 64 50.400 53.356 -2.956 1
1 218 . 10 1 1 A 64 64 ALA CB C 64 16.500 18.524 -2.024 1
1 219 . 10 1 1 A 64 64 ALA N N 64 117.500 121.547 -4.047 1
1 220 . 10 1 1 A 65 65 SER H H 65 7.460 8.183 -0.723 1
1 221 . 10 1 1 A 65 65 SER HA H 65 4.570 4.650 -0.080 1
1 224 . 10 1 1 A 65 65 SER C C 65 171.500 174.770 -3.270 1
1 225 . 10 1 1 A 65 65 SER CA C 65 54.800 58.047 -3.247 1
1 226 . 10 1 1 A 65 65 SER CB C 65 61.800 63.501 -1.701 1
1 227 . 10 1 1 A 65 65 SER N N 65 111.200 112.291 -1.091 1
1 228 . 10 1 1 A 66 66 GLY H H 66 7.480 8.166 -0.686 1
1 229 . 10 1 1 A 66 66 GLY HA2 H 66 3.980 3.331 0.649 1
1 230 . 10 1 1 A 66 66 GLY HA3 H 66 4.030 3.857 0.173 1
1 231 . 10 1 1 A 66 66 GLY C C 66 170.600 174.302 -3.702 1
1 232 . 10 1 1 A 66 66 GLY CA C 66 42.000 43.562 -1.562 1
1 233 . 10 1 1 A 66 66 GLY N N 66 108.800 109.335 -0.535 1
1 234 . 10 1 1 A 67 67 PRO HA H 67 4.210 4.110 0.100 1
1 241 . 10 1 1 A 67 67 PRO CA C 67 62.000 65.026 -3.026 1
1 242 . 10 1 1 A 67 67 PRO CB C 67 28.900 31.061 -2.161 1
1 245 . 10 1 1 A 68 68 CYS H H 68 7.700 7.619 0.081 1
1 246 . 10 1 1 A 68 68 CYS HA H 68 5.450 4.401 1.049 1
1 249 . 10 1 1 A 68 68 CYS C C 68 173.500 175.634 -2.134 1
1 250 . 10 1 1 A 68 68 CYS CA C 68 49.500 58.161 -8.661 1
1 251 . 10 1 1 A 68 68 CYS CB C 68 36.200 41.618 -5.418 1
1 252 . 10 1 1 A 68 68 CYS N N 68 115.300 114.123 1.177 1
1 253 . 10 1 1 A 69 69 GLY H H 69 7.840 8.327 -0.487 1
1 254 . 10 1 1 A 69 69 GLY HA2 H 69 3.950 3.698 0.252 1
1 255 . 10 1 1 A 69 69 GLY HA3 H 69 3.550 3.764 -0.214 1
1 256 . 10 1 1 A 69 69 GLY C C 69 173.300 175.489 -2.189 1
1 257 . 10 1 1 A 69 69 GLY CA C 69 45.200 47.060 -1.860 1
1 258 . 10 1 1 A 69 69 GLY N N 69 110.200 109.379 0.821 1
1 259 . 10 1 1 A 70 70 GLU H H 70 8.650 8.125 0.525 1
1 260 . 10 1 1 A 70 70 GLU HA H 70 3.760 3.907 -0.147 1
1 265 . 10 1 1 A 70 70 GLU C C 70 176.800 178.873 -2.073 1
1 266 . 10 1 1 A 70 70 GLU CA C 70 56.300 59.089 -2.789 1
1 267 . 10 1 1 A 70 70 GLU CB C 70 26.000 29.244 -3.244 1
1 269 . 10 1 1 A 70 70 GLU N N 70 120.000 121.564 -1.564 1
1 270 . 10 1 1 A 71 71 GLN H H 71 8.860 7.645 1.215 1
1 271 . 10 1 1 A 71 71 GLN HA H 71 3.850 4.013 -0.163 1
1 278 . 10 1 1 A 71 71 GLN C C 71 177.400 178.314 -0.914 1
1 279 . 10 1 1 A 71 71 GLN CA C 71 57.200 58.562 -1.362 1
1 280 . 10 1 1 A 71 71 GLN CB C 71 24.400 28.926 -4.526 1
1 282 . 10 1 1 A 71 71 GLN N N 71 120.800 118.659 2.141 1
1 284 . 10 1 1 A 72 72 PHE H H 72 8.890 7.961 0.929 1
1 285 . 10 1 1 A 72 72 PHE HA H 72 4.200 3.980 0.220 1
1 291 . 10 1 1 A 72 72 PHE C C 72 173.500 177.521 -4.021 1
1 292 . 10 1 1 A 72 72 PHE CA C 72 59.000 61.265 -2.265 1
1 293 . 10 1 1 A 72 72 PHE CB C 72 36.000 39.307 -3.307 1
1 294 . 10 1 1 A 72 72 PHE N N 72 123.400 122.587 0.813 1
1 295 . 10 1 1 A 73 73 LYS H H 73 8.480 8.191 0.289 1
1 296 . 10 1 1 A 73 73 LYS HA H 73 3.430 3.483 -0.053 1
1 304 . 10 1 1 A 73 73 LYS C C 73 177.600 178.903 -1.303 1
1 305 . 10 1 1 A 73 73 LYS CA C 73 56.700 59.420 -2.720 1
1 306 . 10 1 1 A 73 73 LYS CB C 73 29.600 31.971 -2.371 1
1 310 . 10 1 1 A 73 73 LYS N N 73 119.900 118.400 1.500 1
1 311 . 10 1 1 A 74 74 SER H H 74 7.780 7.921 -0.141 1
1 312 . 10 1 1 A 74 74 SER HA H 74 4.120 4.127 -0.007 1
1 315 . 10 1 1 A 74 74 SER C C 74 174.300 177.319 -3.019 1
1 316 . 10 1 1 A 74 74 SER CA C 74 58.700 61.544 -2.844 1
1 317 . 10 1 1 A 74 74 SER CB C 74 59.900 62.773 -2.873 1
1 318 . 10 1 1 A 74 74 SER N N 74 114.200 114.402 -0.202 1
1 319 . 10 1 1 A 75 75 ALA H H 75 7.870 7.609 0.261 1
1 320 . 10 1 1 A 75 75 ALA HA H 75 3.840 3.972 -0.132 1
1 324 . 10 1 1 A 75 75 ALA C C 75 175.100 180.293 -5.193 1
1 325 . 10 1 1 A 75 75 ALA CA C 75 53.200 54.515 -1.315 1
1 326 . 10 1 1 A 75 75 ALA CB C 75 15.500 17.548 -2.048 1
1 327 . 10 1 1 A 75 75 ALA N N 75 123.100 122.893 0.207 1
1 328 . 10 1 1 A 76 76 PHE H H 76 9.450 8.056 1.394 1
1 329 . 10 1 1 A 76 76 PHE HA H 76 3.700 4.368 -0.668 1
1 334 . 10 1 1 A 76 76 PHE C C 76 174.600 177.978 -3.378 1
1 335 . 10 1 1 A 76 76 PHE CA C 76 59.600 61.460 -1.860 1
1 336 . 10 1 1 A 76 76 PHE CB C 76 35.800 38.340 -2.540 1
1 337 . 10 1 1 A 76 76 PHE N N 76 118.800 117.329 1.471 1
1 338 . 10 1 1 A 77 77 SER H H 77 8.550 8.585 -0.035 1
1 339 . 10 1 1 A 77 77 SER HA H 77 4.130 4.175 -0.045 1
1 341 . 10 1 1 A 77 77 SER C C 77 172.200 177.493 -5.293 1
1 342 . 10 1 1 A 77 77 SER CA C 77 60.100 61.959 -1.859 1
1 343 . 10 1 1 A 77 77 SER CB C 77 59.800 62.837 -3.037 1
1 344 . 10 1 1 A 77 77 SER N N 77 113.200 113.908 -0.708 1
1 345 . 10 1 1 A 78 78 CYS H H 78 7.430 8.693 -1.263 1
1 346 . 10 1 1 A 78 78 CYS HA H 78 4.080 4.312 -0.232 1
1 349 . 10 1 1 A 78 78 CYS C C 78 174.000 176.495 -2.495 1
1 350 . 10 1 1 A 78 78 CYS CA C 78 57.900 60.326 -2.426 1
1 351 . 10 1 1 A 78 78 CYS CB C 78 36.400 42.074 -5.674 1
1 352 . 10 1 1 A 78 78 CYS N N 78 118.900 119.467 -0.567 1
1 353 . 10 1 1 A 79 79 PHE H H 79 8.270 8.233 0.037 1
1 354 . 10 1 1 A 79 79 PHE HA H 79 3.740 4.374 -0.634 1
1 359 . 10 1 1 A 79 79 PHE C C 79 173.600 177.715 -4.115 1
1 360 . 10 1 1 A 79 79 PHE CA C 79 59.200 61.686 -2.486 1
1 361 . 10 1 1 A 79 79 PHE CB C 79 37.000 39.435 -2.435 1
1 362 . 10 1 1 A 79 79 PHE N N 79 120.400 122.990 -2.590 1
1 363 . 10 1 1 A 80 80 HIS H H 80 8.840 8.287 0.553 1
1 364 . 10 1 1 A 80 80 HIS HA H 80 3.460 3.945 -0.485 1
1 368 . 10 1 1 A 80 80 HIS C C 80 175.700 177.104 -1.404 1
1 369 . 10 1 1 A 80 80 HIS CA C 80 57.000 59.465 -2.465 1
1 370 . 10 1 1 A 80 80 HIS CB C 80 28.300 29.899 -1.599 1
1 371 . 10 1 1 A 80 80 HIS N N 80 118.400 118.706 -0.306 1
1 372 . 10 1 1 A 81 81 TYR H H 81 7.710 8.555 -0.845 1
1 373 . 10 1 1 A 81 81 TYR HA H 81 4.080 4.436 -0.356 1
1 378 . 10 1 1 A 81 81 TYR C C 81 172.400 177.223 -4.823 1
1 379 . 10 1 1 A 81 81 TYR CA C 81 56.100 60.715 -4.615 1
1 380 . 10 1 1 A 81 81 TYR CB C 81 34.800 37.177 -2.377 1
1 381 . 10 1 1 A 81 81 TYR N N 81 113.400 115.925 -2.525 1
1 382 . 10 1 1 A 82 82 SER H H 82 7.070 7.720 -0.650 1
1 383 . 10 1 1 A 82 82 SER HA H 82 4.410 4.469 -0.059 1
1 386 . 10 1 1 A 82 82 SER C C 82 174.500 174.126 0.374 1
1 387 . 10 1 1 A 82 82 SER CA C 82 56.300 60.139 -3.839 1
1 388 . 10 1 1 A 82 82 SER CB C 82 59.200 63.763 -4.563 1
1 389 . 10 1 1 A 82 82 SER N N 82 115.600 114.866 0.734 1
1 390 . 10 1 1 A 83 83 THR H H 83 9.290 7.913 1.377 1
1 391 . 10 1 1 A 83 83 THR HA H 83 4.400 3.794 0.606 1
1 396 . 10 1 1 A 83 83 THR C C 83 172.200 173.397 -1.197 1
1 397 . 10 1 1 A 83 83 THR CA C 83 57.500 63.272 -5.772 1
1 398 . 10 1 1 A 83 83 THR CB C 83 65.800 66.719 -0.919 1
1 400 . 10 1 1 A 83 83 THR N N 83 120.400 114.058 6.342 1
1 401 . 10 1 1 A 84 84 GLU H H 84 7.170 7.924 -0.754 1
1 402 . 10 1 1 A 84 84 GLU HA H 84 3.860 4.719 -0.859 1
1 406 . 10 1 1 A 84 84 GLU C C 84 173.300 177.613 -4.313 1
1 407 . 10 1 1 A 84 84 GLU CA C 84 53.100 54.675 -1.575 1
1 408 . 10 1 1 A 84 84 GLU CB C 84 28.400 31.832 -3.432 1
1 410 . 10 1 1 A 84 84 GLU N N 84 121.600 121.244 0.356 1
1 411 . 10 1 1 A 85 85 GLU H H 85 8.390 9.024 -0.634 1
1 412 . 10 1 1 A 85 85 GLU HA H 85 3.730 4.343 -0.613 1
1 417 . 10 1 1 A 85 85 GLU C C 85 175.500 175.798 -0.298 1
1 418 . 10 1 1 A 85 85 GLU CA C 85 56.700 57.933 -1.233 1
1 419 . 10 1 1 A 85 85 GLU CB C 85 26.900 31.111 -4.211 1
1 421 . 10 1 1 A 85 85 GLU N N 85 121.800 121.500 0.300 1
1 422 . 10 1 1 A 86 86 ILE H H 86 8.060 7.895 0.165 1
1 423 . 10 1 1 A 86 86 ILE HA H 86 4.060 4.484 -0.424 1
1 433 . 10 1 1 A 86 86 ILE C C 86 172.400 175.553 -3.153 1
1 434 . 10 1 1 A 86 86 ILE CA C 86 56.800 59.646 -2.846 1
1 435 . 10 1 1 A 86 86 ILE CB C 86 32.700 41.536 -8.836 1
1 439 . 10 1 1 A 86 86 ILE N N 86 117.800 118.715 -0.915 1
1 440 . 10 1 1 A 87 87 LYS H H 87 8.200 8.202 -0.002 1
1 441 . 10 1 1 A 87 87 LYS HA H 87 3.470 2.227 1.243 1
1 450 . 10 1 1 A 87 87 LYS C C 87 175.200 176.496 -1.296 1
1 451 . 10 1 1 A 87 87 LYS CA C 87 56.800 57.495 -0.695 1
1 452 . 10 1 1 A 87 87 LYS CB C 87 30.300 31.246 -0.946 1
1 456 . 10 1 1 A 87 87 LYS N N 87 130.300 125.476 4.824 1
1 457 . 10 1 1 A 88 88 GLY H H 88 8.820 8.428 0.392 1
1 458 . 10 1 1 A 88 88 GLY HA2 H 88 4.440 3.485 0.955 1
1 459 . 10 1 1 A 88 88 GLY HA3 H 88 3.560 4.035 -0.475 1
1 460 . 10 1 1 A 88 88 GLY C C 88 172.800 175.276 -2.476 1
1 461 . 10 1 1 A 88 88 GLY CA C 88 42.800 45.402 -2.602 1
1 462 . 10 1 1 A 88 88 GLY N N 88 110.400 113.624 -3.224 1
1 463 . 10 1 1 A 89 89 SER H H 89 8.570 8.082 0.488 1
1 464 . 10 1 1 A 89 89 SER HA H 89 4.040 4.152 -0.112 1
1 467 . 10 1 1 A 89 89 SER C C 89 171.300 174.663 -3.363 1
1 468 . 10 1 1 A 89 89 SER CA C 89 58.200 60.961 -2.761 1
1 469 . 10 1 1 A 89 89 SER CB C 89 59.200 63.069 -3.869 1
1 470 . 10 1 1 A 89 89 SER N N 89 118.000 115.377 2.623 1
1 471 . 10 1 1 A 90 90 ASP H H 90 10.480 8.211 2.269 1
1 472 . 10 1 1 A 90 90 ASP HA H 90 4.580 4.775 -0.195 1
1 475 . 10 1 1 A 90 90 ASP C C 90 173.500 176.505 -3.005 1
1 476 . 10 1 1 A 90 90 ASP CA C 90 50.500 53.122 -2.622 1
1 477 . 10 1 1 A 90 90 ASP CB C 90 34.900 41.392 -6.492 1
1 478 . 10 1 1 A 90 90 ASP N N 90 116.400 119.093 -2.693 1
1 479 . 10 1 1 A 91 91 CYS H H 91 7.420 8.025 -0.605 1
1 480 . 10 1 1 A 91 91 CYS HA H 91 5.180 4.976 0.204 1
1 483 . 10 1 1 A 91 91 CYS C C 91 172.800 174.268 -1.468 1
1 484 . 10 1 1 A 91 91 CYS CA C 91 50.600 55.935 -5.335 1
1 485 . 10 1 1 A 91 91 CYS CB C 91 38.000 44.048 -6.048 1
1 486 . 10 1 1 A 91 91 CYS N N 91 117.300 118.697 -1.397 1
1 487 . 10 1 1 A 92 92 VAL H H 92 7.320 7.696 -0.376 1
1 488 . 10 1 1 A 92 92 VAL HA H 92 3.470 3.660 -0.190 1
1 496 . 10 1 1 A 92 92 VAL C C 92 175.700 177.568 -1.868 1
1 497 . 10 1 1 A 92 92 VAL CA C 92 64.000 66.305 -2.305 1
1 498 . 10 1 1 A 92 92 VAL CB C 92 29.300 31.588 -2.288 1
1 501 . 10 1 1 A 92 92 VAL N N 92 120.500 121.484 -0.984 1
1 502 . 10 1 1 A 93 93 ASP H H 93 8.870 8.330 0.540 1
1 503 . 10 1 1 A 93 93 ASP HA H 93 4.280 4.319 -0.039 1
1 505 . 10 1 1 A 93 93 ASP C C 93 176.500 178.604 -2.104 1
1 506 . 10 1 1 A 93 93 ASP CA C 93 55.100 57.455 -2.355 1
1 507 . 10 1 1 A 93 93 ASP CB C 93 36.800 41.298 -4.498 1
1 508 . 10 1 1 A 93 93 ASP N N 93 120.500 120.676 -0.176 1
1 509 . 10 1 1 A 94 94 GLN H H 94 9.140 8.252 0.888 1
1 510 . 10 1 1 A 94 94 GLN HA H 94 3.920 4.040 -0.120 1
1 517 . 10 1 1 A 94 94 GLN C C 94 178.100 179.210 -1.110 1
1 518 . 10 1 1 A 94 94 GLN CA C 94 57.100 59.095 -1.995 1
1 519 . 10 1 1 A 94 94 GLN CB C 94 24.500 28.212 -3.712 1
1 521 . 10 1 1 A 94 94 GLN N N 94 121.800 117.662 4.138 1
1 523 . 10 1 1 A 95 95 PHE H H 95 8.920 8.217 0.703 1
1 524 . 10 1 1 A 95 95 PHE HA H 95 4.130 4.345 -0.215 1
1 529 . 10 1 1 A 95 95 PHE C C 95 175.100 178.165 -3.065 1
1 530 . 10 1 1 A 95 95 PHE CA C 95 57.500 60.758 -3.258 1
1 531 . 10 1 1 A 95 95 PHE CB C 95 34.500 38.265 -3.765 1
1 532 . 10 1 1 A 95 95 PHE N N 95 122.500 119.652 2.848 1
1 533 . 10 1 1 A 96 96 ARG H H 96 8.500 8.622 -0.122 1
1 534 . 10 1 1 A 96 96 ARG HA H 96 4.040 4.021 0.019 1
1 540 . 10 1 1 A 96 96 ARG C C 96 175.700 178.141 -2.441 1
1 541 . 10 1 1 A 96 96 ARG CA C 96 56.800 59.754 -2.954 1
1 542 . 10 1 1 A 96 96 ARG CB C 96 26.800 29.769 -2.969 1
1 545 . 10 1 1 A 96 96 ARG N N 96 121.600 121.500 0.100 1
1 546 . 10 1 1 A 97 97 ALA H H 97 7.960 8.537 -0.577 1
1 547 . 10 1 1 A 97 97 ALA HA H 97 4.110 4.067 0.043 1
1 551 . 10 1 1 A 97 97 ALA C C 97 178.600 179.604 -1.004 1
1 552 . 10 1 1 A 97 97 ALA CA C 97 52.100 55.277 -3.177 1
1 553 . 10 1 1 A 97 97 ALA CB C 97 15.200 17.975 -2.775 1
1 554 . 10 1 1 A 97 97 ALA N N 97 120.300 121.303 -1.003 1
1 555 . 10 1 1 A 98 98 MET H H 98 7.600 8.389 -0.789 1
1 556 . 10 1 1 A 98 98 MET HA H 98 3.830 3.940 -0.110 1
1 559 . 10 1 1 A 98 98 MET C C 98 173.900 178.160 -4.260 1
1 560 . 10 1 1 A 98 98 MET CA C 98 56.400 58.361 -1.961 1
1 561 . 10 1 1 A 98 98 MET CB C 98 30.100 31.801 -1.701 1
1 563 . 10 1 1 A 98 98 MET N N 98 118.400 118.872 -0.472 1
1 564 . 10 1 1 A 99 99 GLN H H 99 8.410 8.242 0.168 1
1 565 . 10 1 1 A 99 99 GLN HA H 99 3.800 3.963 -0.163 1
1 569 . 10 1 1 A 99 99 GLN C C 99 173.400 178.072 -4.672 1
1 570 . 10 1 1 A 99 99 GLN CA C 99 56.800 59.420 -2.620 1
1 571 . 10 1 1 A 99 99 GLN CB C 99 25.900 28.309 -2.409 1
1 573 . 10 1 1 A 99 99 GLN N N 99 120.800 119.024 1.776 1
1 574 . 10 1 1 A 100 100 GLU H H 100 8.510 8.682 -0.172 1
1 575 . 10 1 1 A 100 100 GLU HA H 100 3.820 3.996 -0.176 1
1 580 . 10 1 1 A 100 100 GLU C C 100 175.900 178.801 -2.901 1
1 581 . 10 1 1 A 100 100 GLU CA C 100 56.500 59.402 -2.902 1
1 582 . 10 1 1 A 100 100 GLU CB C 100 26.900 28.860 -1.960 1
1 584 . 10 1 1 A 100 100 GLU N N 100 117.600 116.781 0.819 1
1 585 . 10 1 1 A 101 101 CYS H H 101 7.310 7.965 -0.655 1
1 586 . 10 1 1 A 101 101 CYS HA H 101 4.230 4.158 0.072 1
1 589 . 10 1 1 A 101 101 CYS C C 101 173.800 176.664 -2.864 1
1 590 . 10 1 1 A 101 101 CYS CA C 101 57.800 59.332 -1.532 1
1 591 . 10 1 1 A 101 101 CYS CB C 101 36.500 41.938 -5.438 1
1 592 . 10 1 1 A 101 101 CYS N N 101 117.800 119.194 -1.394 1
1 593 . 10 1 1 A 102 102 MET H H 102 8.400 8.379 0.021 1
1 594 . 10 1 1 A 102 102 MET HA H 102 3.820 4.463 -0.643 1
1 599 . 10 1 1 A 102 102 MET C C 102 177.100 177.453 -0.353 1
1 600 . 10 1 1 A 102 102 MET CA C 102 57.100 56.704 0.396 1
1 601 . 10 1 1 A 102 102 MET CB C 102 30.200 31.441 -1.241 1
1 603 . 10 1 1 A 102 102 MET N N 102 119.100 119.349 -0.249 1
1 604 . 10 1 1 A 103 103 GLN H H 103 7.850 8.283 -0.433 1
1 605 . 10 1 1 A 103 103 GLN HA H 103 3.960 4.149 -0.189 1
1 612 . 10 1 1 A 103 103 GLN C C 103 174.000 177.247 -3.247 1
1 613 . 10 1 1 A 103 103 GLN CA C 103 55.000 58.246 -3.246 1
1 614 . 10 1 1 A 103 103 GLN CB C 103 25.900 28.596 -2.696 1
1 616 . 10 1 1 A 103 103 GLN N N 103 117.200 117.339 -0.139 1
1 618 . 10 1 1 A 104 104 LYS H H 104 7.470 7.557 -0.087 1
1 619 . 10 1 1 A 104 104 LYS HA H 104 3.880 4.117 -0.237 1
1 626 . 10 1 1 A 104 104 LYS C C 104 173.200 176.076 -2.876 1
1 627 . 10 1 1 A 104 104 LYS CA C 104 54.600 58.080 -3.480 1
1 628 . 10 1 1 A 104 104 LYS CB C 104 29.600 33.059 -3.459 1
1 632 . 10 1 1 A 104 104 LYS N N 104 116.700 117.835 -1.135 1
1 633 . 10 1 1 A 105 105 TYR H H 105 7.390 7.982 -0.592 1
1 634 . 10 1 1 A 105 105 TYR HA H 105 5.040 5.147 -0.107 1
1 639 . 10 1 1 A 105 105 TYR C C 105 170.800 174.607 -3.807 1
1 640 . 10 1 1 A 105 105 TYR CA C 105 52.300 55.071 -2.771 1
1 641 . 10 1 1 A 105 105 TYR CB C 105 36.700 38.904 -2.204 1
1 642 . 10 1 1 A 105 105 TYR N N 105 115.700 117.792 -2.092 1
1 643 . 10 1 1 A 106 106 PRO HA H 106 4.470 4.583 -0.113 1
1 650 . 10 1 1 A 106 106 PRO CA C 106 61.800 65.181 -3.381 1
1 651 . 10 1 1 A 106 106 PRO CB C 106 29.000 31.934 -2.934 1
1 654 . 10 1 1 A 107 107 ASP H H 107 8.750 7.733 1.017 1
1 655 . 10 1 1 A 107 107 ASP HA H 107 4.310 4.524 -0.214 1
1 658 . 10 1 1 A 107 107 ASP C C 107 174.000 174.389 -0.389 1
1 659 . 10 1 1 A 107 107 ASP CA C 107 52.200 52.952 -0.752 1
1 660 . 10 1 1 A 107 107 ASP CB C 107 36.800 43.227 -6.427 1
1 661 . 10 1 1 A 107 107 ASP N N 107 114.800 116.888 -2.088 1
1 662 . 10 1 1 A 108 108 LEU H H 108 7.270 8.237 -0.967 1
1 663 . 10 1 1 A 108 108 LEU HA H 108 4.030 4.574 -0.544 1
1 673 . 10 1 1 A 108 108 LEU C C 108 173.800 176.873 -3.073 1
1 674 . 10 1 1 A 108 108 LEU CA C 108 52.500 54.129 -1.629 1
1 675 . 10 1 1 A 108 108 LEU CB C 108 40.000 42.804 -2.804 1
1 679 . 10 1 1 A 108 108 LEU N N 108 118.900 119.313 -0.413 1
1 7 . 11 1 1 A 46 46 LEU HA H 46 3.970 4.253 -0.283 1
1 17 . 11 1 1 A 46 46 LEU CA C 46 55.000 55.197 -0.197 1
1 18 . 11 1 1 A 46 46 LEU CB C 46 40.300 40.719 -0.419 1
1 22 . 11 1 1 A 47 47 ILE H H 47 7.570 7.486 0.084 1
1 23 . 11 1 1 A 47 47 ILE HA H 47 4.270 4.610 -0.340 1
1 33 . 11 1 1 A 47 47 ILE C C 47 174.500 174.438 0.062 1
1 34 . 11 1 1 A 47 47 ILE CA C 47 54.600 59.894 -5.294 1
1 35 . 11 1 1 A 47 47 ILE CB C 47 34.500 42.778 -8.278 1
1 39 . 11 1 1 A 47 47 ILE N N 47 115.000 119.836 -4.836 1
1 40 . 11 1 1 A 48 48 LEU H H 48 8.760 8.653 0.107 1
1 41 . 11 1 1 A 48 48 LEU HA H 48 4.260 4.733 -0.473 1
1 51 . 11 1 1 A 48 48 LEU C C 48 174.400 176.886 -2.486 1
1 52 . 11 1 1 A 48 48 LEU CA C 48 51.200 51.826 -0.626 1
1 53 . 11 1 1 A 48 48 LEU CB C 48 37.800 44.150 -6.350 1
1 57 . 11 1 1 A 48 48 LEU N N 48 127.400 126.199 1.201 1
1 58 . 11 1 1 A 49 49 PRO HA H 49 4.170 4.448 -0.278 1
1 63 . 11 1 1 A 49 49 PRO CA C 49 62.500 64.498 -1.998 1
1 64 . 11 1 1 A 49 49 PRO CB C 49 28.900 31.605 -2.705 1
1 67 . 11 1 1 A 50 50 ASN H H 50 7.180 7.770 -0.590 1
1 68 . 11 1 1 A 50 50 ASN HA H 50 4.420 4.578 -0.158 1
1 73 . 11 1 1 A 50 50 ASN C C 50 173.700 176.394 -2.694 1
1 74 . 11 1 1 A 50 50 ASN CA C 50 49.500 52.292 -2.792 1
1 75 . 11 1 1 A 50 50 ASN CB C 50 34.400 37.620 -3.220 1
1 76 . 11 1 1 A 50 50 ASN N N 50 111.000 113.009 -2.009 1
1 78 . 11 1 1 A 51 51 GLY H H 51 8.370 8.133 0.237 1
1 79 . 11 1 1 A 51 51 GLY HA2 H 51 4.220 3.796 0.424 1
1 80 . 11 1 1 A 51 51 GLY HA3 H 51 3.400 3.879 -0.479 1
1 81 . 11 1 1 A 51 51 GLY C C 51 171.500 173.745 -2.245 1
1 82 . 11 1 1 A 51 51 GLY CA C 51 42.200 45.215 -3.015 1
1 83 . 11 1 1 A 51 51 GLY N N 51 108.400 108.733 -0.333 1
1 84 . 11 1 1 A 52 52 ASN H H 52 7.810 7.799 0.011 1
1 85 . 11 1 1 A 52 52 ASN HA H 52 4.670 4.837 -0.167 1
1 90 . 11 1 1 A 52 52 ASN C C 52 170.900 175.376 -4.476 1
1 91 . 11 1 1 A 52 52 ASN CA C 52 49.400 53.187 -3.787 1
1 92 . 11 1 1 A 52 52 ASN CB C 52 36.100 39.437 -3.337 1
1 93 . 11 1 1 A 52 52 ASN N N 52 119.100 118.523 0.577 1
1 95 . 11 1 1 A 53 53 ILE H H 53 8.070 8.907 -0.837 1
1 96 . 11 1 1 A 53 53 ILE HA H 53 3.470 3.872 -0.402 1
1 106 . 11 1 1 A 53 53 ILE C C 53 172.300 175.938 -3.638 1
1 107 . 11 1 1 A 53 53 ILE CA C 53 59.100 62.047 -2.947 1
1 108 . 11 1 1 A 53 53 ILE CB C 53 36.000 38.100 -2.100 1
1 112 . 11 1 1 A 53 53 ILE N N 53 120.100 123.779 -3.679 1
1 113 . 11 1 1 A 54 54 ASN H H 54 8.700 7.710 0.990 1
1 114 . 11 1 1 A 54 54 ASN HA H 54 4.350 4.191 0.159 1
1 119 . 11 1 1 A 54 54 ASN C C 54 172.300 174.936 -2.636 1
1 120 . 11 1 1 A 54 54 ASN CA C 54 47.500 53.677 -6.177 1
1 121 . 11 1 1 A 54 54 ASN CB C 54 34.200 36.785 -2.585 1
1 122 . 11 1 1 A 54 54 ASN N N 54 123.200 119.128 4.072 1
1 124 . 11 1 1 A 55 55 TRP H H 55 7.520 8.002 -0.482 1
1 125 . 11 1 1 A 55 55 TRP HA H 55 4.300 4.816 -0.516 1
1 134 . 11 1 1 A 55 55 TRP C C 55 172.100 176.829 -4.729 1
1 135 . 11 1 1 A 55 55 TRP CA C 55 55.200 56.706 -1.506 1
1 136 . 11 1 1 A 55 55 TRP CB C 55 26.400 28.457 -2.057 1
1 137 . 11 1 1 A 55 55 TRP N N 55 124.600 125.566 -0.966 1
1 138 . 11 1 1 A 56 56 ASN H H 56 7.380 8.222 -0.842 1
1 139 . 11 1 1 A 56 56 ASN HA H 56 4.720 5.025 -0.305 1
1 144 . 11 1 1 A 56 56 ASN C C 56 172.100 175.466 -3.366 1
1 145 . 11 1 1 A 56 56 ASN CA C 56 49.500 52.828 -3.328 1
1 146 . 11 1 1 A 56 56 ASN CB C 56 36.200 41.013 -4.813 1
1 147 . 11 1 1 A 56 56 ASN N N 56 112.500 117.767 -5.267 1
1 149 . 11 1 1 A 57 57 CYS H H 57 7.460 7.676 -0.216 1
1 150 . 11 1 1 A 57 57 CYS HA H 57 4.280 4.466 -0.186 1
1 153 . 11 1 1 A 57 57 CYS C C 57 173.000 174.672 -1.672 1
1 154 . 11 1 1 A 57 57 CYS CA C 57 54.900 58.540 -3.640 1
1 155 . 11 1 1 A 57 57 CYS CB C 57 25.000 27.113 -2.113 1
1 156 . 11 1 1 A 57 57 CYS N N 57 123.000 118.626 4.374 1
1 157 . 11 1 1 A 58 58 PRO HA H 58 4.200 4.491 -0.291 1
1 162 . 11 1 1 A 58 58 PRO CA C 58 62.700 64.375 -1.675 1
1 163 . 11 1 1 A 58 58 PRO CB C 58 29.300 31.797 -2.497 1
1 166 . 11 1 1 A 59 59 CYS HA H 59 4.390 4.505 -0.115 1
1 168 . 11 1 1 A 59 59 CYS CA C 59 57.000 61.412 -4.412 1
1 169 . 11 1 1 A 59 59 CYS CB C 59 24.400 28.890 -4.490 1
1 170 . 11 1 1 A 60 60 LEU H H 60 7.500 8.220 -0.720 1
1 171 . 11 1 1 A 60 60 LEU HA H 60 4.180 4.052 0.128 1
1 181 . 11 1 1 A 60 60 LEU C C 60 175.700 178.772 -3.072 1
1 182 . 11 1 1 A 60 60 LEU CA C 60 52.000 58.053 -6.053 1
1 183 . 11 1 1 A 60 60 LEU CB C 60 39.000 42.009 -3.009 1
1 187 . 11 1 1 A 60 60 LEU N N 60 117.700 122.492 -4.792 1
1 188 . 11 1 1 A 61 61 GLY H H 61 7.880 8.566 -0.686 1
1 189 . 11 1 1 A 61 61 GLY HA2 H 61 3.830 3.857 -0.027 1
1 190 . 11 1 1 A 61 61 GLY HA3 H 61 3.680 3.944 -0.264 1
1 191 . 11 1 1 A 61 61 GLY C C 61 172.700 176.065 -3.365 1
1 192 . 11 1 1 A 61 61 GLY CA C 61 44.700 47.248 -2.548 1
1 193 . 11 1 1 A 61 61 GLY N N 61 105.700 106.539 -0.839 1
1 194 . 11 1 1 A 62 62 GLY H H 62 8.580 8.008 0.572 1
1 195 . 11 1 1 A 62 62 GLY HA2 H 62 3.810 3.710 0.100 1
1 196 . 11 1 1 A 62 62 GLY HA3 H 62 3.680 3.713 -0.033 1
1 197 . 11 1 1 A 62 62 GLY C C 62 174.000 175.890 -1.890 1
1 198 . 11 1 1 A 62 62 GLY CA C 62 42.800 47.044 -4.244 1
1 199 . 11 1 1 A 62 62 GLY N N 62 108.500 109.676 -1.176 1
1 200 . 11 1 1 A 63 63 MET H H 63 7.460 8.249 -0.789 1
1 201 . 11 1 1 A 63 63 MET HA H 63 3.870 3.746 0.124 1
1 206 . 11 1 1 A 63 63 MET C C 63 174.600 177.047 -2.447 1
1 207 . 11 1 1 A 63 63 MET CA C 63 54.400 57.797 -3.397 1
1 208 . 11 1 1 A 63 63 MET CB C 63 27.600 31.386 -3.786 1
1 210 . 11 1 1 A 63 63 MET N N 63 118.500 120.413 -1.913 1
1 211 . 11 1 1 A 64 64 ALA H H 64 8.080 7.178 0.902 1
1 212 . 11 1 1 A 64 64 ALA HA H 64 4.220 4.079 0.141 1
1 216 . 11 1 1 A 64 64 ALA C C 64 173.800 176.665 -2.865 1
1 217 . 11 1 1 A 64 64 ALA CA C 64 50.400 51.984 -1.584 1
1 218 . 11 1 1 A 64 64 ALA CB C 64 16.500 18.984 -2.484 1
1 219 . 11 1 1 A 64 64 ALA N N 64 117.500 119.657 -2.157 1
1 220 . 11 1 1 A 65 65 SER H H 65 7.460 7.698 -0.238 1
1 221 . 11 1 1 A 65 65 SER HA H 65 4.570 4.630 -0.060 1
1 224 . 11 1 1 A 65 65 SER C C 65 171.500 173.895 -2.395 1
1 225 . 11 1 1 A 65 65 SER CA C 65 54.800 56.836 -2.036 1
1 226 . 11 1 1 A 65 65 SER CB C 65 61.800 65.859 -4.059 1
1 227 . 11 1 1 A 65 65 SER N N 65 111.200 114.309 -3.109 1
1 228 . 11 1 1 A 66 66 GLY H H 66 7.480 8.418 -0.938 1
1 229 . 11 1 1 A 66 66 GLY HA2 H 66 3.980 3.770 0.210 1
1 230 . 11 1 1 A 66 66 GLY HA3 H 66 4.030 3.948 0.082 1
1 231 . 11 1 1 A 66 66 GLY C C 66 170.600 173.717 -3.117 1
1 232 . 11 1 1 A 66 66 GLY CA C 66 42.000 44.399 -2.399 1
1 233 . 11 1 1 A 66 66 GLY N N 66 108.800 110.221 -1.421 1
1 234 . 11 1 1 A 67 67 PRO HA H 67 4.210 4.223 -0.013 1
1 241 . 11 1 1 A 67 67 PRO CA C 67 62.000 64.240 -2.240 1
1 242 . 11 1 1 A 67 67 PRO CB C 67 28.900 31.303 -2.403 1
1 245 . 11 1 1 A 68 68 CYS H H 68 7.700 7.866 -0.166 1
1 246 . 11 1 1 A 68 68 CYS HA H 68 5.450 4.637 0.813 1
1 249 . 11 1 1 A 68 68 CYS C C 68 173.500 175.335 -1.835 1
1 250 . 11 1 1 A 68 68 CYS CA C 68 49.500 57.012 -7.512 1
1 251 . 11 1 1 A 68 68 CYS CB C 68 36.200 42.849 -6.649 1
1 252 . 11 1 1 A 68 68 CYS N N 68 115.300 115.489 -0.189 1
1 253 . 11 1 1 A 69 69 GLY H H 69 7.840 8.096 -0.256 1
1 254 . 11 1 1 A 69 69 GLY HA2 H 69 3.950 3.659 0.291 1
1 255 . 11 1 1 A 69 69 GLY HA3 H 69 3.550 3.692 -0.142 1
1 256 . 11 1 1 A 69 69 GLY C C 69 173.300 175.975 -2.675 1
1 257 . 11 1 1 A 69 69 GLY CA C 69 45.200 46.948 -1.748 1
1 258 . 11 1 1 A 69 69 GLY N N 69 110.200 109.698 0.502 1
1 259 . 11 1 1 A 70 70 GLU H H 70 8.650 8.723 -0.073 1
1 260 . 11 1 1 A 70 70 GLU HA H 70 3.760 3.895 -0.135 1
1 265 . 11 1 1 A 70 70 GLU C C 70 176.800 178.475 -1.675 1
1 266 . 11 1 1 A 70 70 GLU CA C 70 56.300 58.853 -2.553 1
1 267 . 11 1 1 A 70 70 GLU CB C 70 26.000 28.877 -2.877 1
1 269 . 11 1 1 A 70 70 GLU N N 70 120.000 120.007 -0.007 1
1 270 . 11 1 1 A 71 71 GLN H H 71 8.860 7.768 1.092 1
1 271 . 11 1 1 A 71 71 GLN HA H 71 3.850 4.002 -0.152 1
1 278 . 11 1 1 A 71 71 GLN C C 71 177.400 178.093 -0.693 1
1 279 . 11 1 1 A 71 71 GLN CA C 71 57.200 58.746 -1.546 1
1 280 . 11 1 1 A 71 71 GLN CB C 71 24.400 28.522 -4.122 1
1 282 . 11 1 1 A 71 71 GLN N N 71 120.800 118.936 1.864 1
1 284 . 11 1 1 A 72 72 PHE H H 72 8.890 7.719 1.171 1
1 285 . 11 1 1 A 72 72 PHE HA H 72 4.200 4.108 0.092 1
1 291 . 11 1 1 A 72 72 PHE C C 72 173.500 177.464 -3.964 1
1 292 . 11 1 1 A 72 72 PHE CA C 72 59.000 61.259 -2.259 1
1 293 . 11 1 1 A 72 72 PHE CB C 72 36.000 39.138 -3.138 1
1 294 . 11 1 1 A 72 72 PHE N N 72 123.400 120.969 2.431 1
1 295 . 11 1 1 A 73 73 LYS H H 73 8.480 8.021 0.459 1
1 296 . 11 1 1 A 73 73 LYS HA H 73 3.430 3.466 -0.036 1
1 304 . 11 1 1 A 73 73 LYS C C 73 177.600 179.204 -1.604 1
1 305 . 11 1 1 A 73 73 LYS CA C 73 56.700 59.428 -2.728 1
1 306 . 11 1 1 A 73 73 LYS CB C 73 29.600 31.968 -2.368 1
1 310 . 11 1 1 A 73 73 LYS N N 73 119.900 118.395 1.505 1
1 311 . 11 1 1 A 74 74 SER H H 74 7.780 8.094 -0.314 1
1 312 . 11 1 1 A 74 74 SER HA H 74 4.120 4.215 -0.095 1
1 315 . 11 1 1 A 74 74 SER C C 74 174.300 177.297 -2.997 1
1 316 . 11 1 1 A 74 74 SER CA C 74 58.700 61.490 -2.790 1
1 317 . 11 1 1 A 74 74 SER CB C 74 59.900 62.767 -2.867 1
1 318 . 11 1 1 A 74 74 SER N N 74 114.200 114.255 -0.055 1
1 319 . 11 1 1 A 75 75 ALA H H 75 7.870 7.794 0.076 1
1 320 . 11 1 1 A 75 75 ALA HA H 75 3.840 3.866 -0.026 1
1 324 . 11 1 1 A 75 75 ALA C C 75 175.100 180.017 -4.917 1
1 325 . 11 1 1 A 75 75 ALA CA C 75 53.200 54.667 -1.467 1
1 326 . 11 1 1 A 75 75 ALA CB C 75 15.500 17.973 -2.473 1
1 327 . 11 1 1 A 75 75 ALA N N 75 123.100 123.401 -0.301 1
1 328 . 11 1 1 A 76 76 PHE H H 76 9.450 7.848 1.602 1
1 329 . 11 1 1 A 76 76 PHE HA H 76 3.700 4.476 -0.776 1
1 334 . 11 1 1 A 76 76 PHE C C 76 174.600 178.341 -3.741 1
1 335 . 11 1 1 A 76 76 PHE CA C 76 59.600 61.160 -1.560 1
1 336 . 11 1 1 A 76 76 PHE CB C 76 35.800 38.259 -2.459 1
1 337 . 11 1 1 A 76 76 PHE N N 76 118.800 116.133 2.667 1
1 338 . 11 1 1 A 77 77 SER H H 77 8.550 8.851 -0.301 1
1 339 . 11 1 1 A 77 77 SER HA H 77 4.130 4.209 -0.079 1
1 341 . 11 1 1 A 77 77 SER C C 77 172.200 177.455 -5.255 1
1 342 . 11 1 1 A 77 77 SER CA C 77 60.100 61.945 -1.845 1
1 343 . 11 1 1 A 77 77 SER CB C 77 59.800 62.780 -2.980 1
1 344 . 11 1 1 A 77 77 SER N N 77 113.200 113.788 -0.588 1
1 345 . 11 1 1 A 78 78 CYS H H 78 7.430 8.323 -0.893 1
1 346 . 11 1 1 A 78 78 CYS HA H 78 4.080 4.061 0.019 1
1 349 . 11 1 1 A 78 78 CYS C C 78 174.000 176.533 -2.533 1
1 350 . 11 1 1 A 78 78 CYS CA C 78 57.900 60.544 -2.644 1
1 351 . 11 1 1 A 78 78 CYS CB C 78 36.400 41.033 -4.633 1
1 352 . 11 1 1 A 78 78 CYS N N 78 118.900 118.531 0.369 1
1 353 . 11 1 1 A 79 79 PHE H H 79 8.270 8.101 0.169 1
1 354 . 11 1 1 A 79 79 PHE HA H 79 3.740 4.320 -0.580 1
1 359 . 11 1 1 A 79 79 PHE C C 79 173.600 177.555 -3.955 1
1 360 . 11 1 1 A 79 79 PHE CA C 79 59.200 61.767 -2.567 1
1 361 . 11 1 1 A 79 79 PHE CB C 79 37.000 38.986 -1.986 1
1 362 . 11 1 1 A 79 79 PHE N N 79 120.400 121.790 -1.390 1
1 363 . 11 1 1 A 80 80 HIS H H 80 8.840 8.354 0.486 1
1 364 . 11 1 1 A 80 80 HIS HA H 80 3.460 3.991 -0.531 1
1 368 . 11 1 1 A 80 80 HIS C C 80 175.700 176.870 -1.170 1
1 369 . 11 1 1 A 80 80 HIS CA C 80 57.000 59.493 -2.493 1
1 370 . 11 1 1 A 80 80 HIS CB C 80 28.300 29.744 -1.444 1
1 371 . 11 1 1 A 80 80 HIS N N 80 118.400 118.277 0.123 1
1 372 . 11 1 1 A 81 81 TYR H H 81 7.710 8.716 -1.006 1
1 373 . 11 1 1 A 81 81 TYR HA H 81 4.080 4.369 -0.289 1
1 378 . 11 1 1 A 81 81 TYR C C 81 172.400 176.874 -4.474 1
1 379 . 11 1 1 A 81 81 TYR CA C 81 56.100 59.813 -3.713 1
1 380 . 11 1 1 A 81 81 TYR CB C 81 34.800 37.253 -2.453 1
1 381 . 11 1 1 A 81 81 TYR N N 81 113.400 115.640 -2.240 1
1 382 . 11 1 1 A 82 82 SER H H 82 7.070 7.785 -0.715 1
1 383 . 11 1 1 A 82 82 SER HA H 82 4.410 4.470 -0.060 1
1 386 . 11 1 1 A 82 82 SER C C 82 174.500 174.459 0.041 1
1 387 . 11 1 1 A 82 82 SER CA C 82 56.300 60.307 -4.007 1
1 388 . 11 1 1 A 82 82 SER CB C 82 59.200 64.376 -5.176 1
1 389 . 11 1 1 A 82 82 SER N N 82 115.600 114.651 0.949 1
1 390 . 11 1 1 A 83 83 THR H H 83 9.290 7.600 1.690 1
1 391 . 11 1 1 A 83 83 THR HA H 83 4.400 3.774 0.626 1
1 396 . 11 1 1 A 83 83 THR C C 83 172.200 173.477 -1.277 1
1 397 . 11 1 1 A 83 83 THR CA C 83 57.500 62.963 -5.463 1
1 398 . 11 1 1 A 83 83 THR CB C 83 65.800 66.259 -0.459 1
1 400 . 11 1 1 A 83 83 THR N N 83 120.400 114.070 6.330 1
1 401 . 11 1 1 A 84 84 GLU H H 84 7.170 7.459 -0.289 1
1 402 . 11 1 1 A 84 84 GLU HA H 84 3.860 4.553 -0.693 1
1 406 . 11 1 1 A 84 84 GLU C C 84 173.300 177.241 -3.941 1
1 407 . 11 1 1 A 84 84 GLU CA C 84 53.100 56.371 -3.271 1
1 408 . 11 1 1 A 84 84 GLU CB C 84 28.400 30.335 -1.935 1
1 410 . 11 1 1 A 84 84 GLU N N 84 121.600 120.688 0.912 1
1 411 . 11 1 1 A 85 85 GLU H H 85 8.390 8.136 0.254 1
1 412 . 11 1 1 A 85 85 GLU HA H 85 3.730 4.621 -0.891 1
1 417 . 11 1 1 A 85 85 GLU C C 85 175.500 176.221 -0.721 1
1 418 . 11 1 1 A 85 85 GLU CA C 85 56.700 57.302 -0.602 1
1 419 . 11 1 1 A 85 85 GLU CB C 85 26.900 31.891 -4.991 1
1 421 . 11 1 1 A 85 85 GLU N N 85 121.800 120.663 1.137 1
1 422 . 11 1 1 A 86 86 ILE H H 86 8.060 8.074 -0.014 1
1 423 . 11 1 1 A 86 86 ILE HA H 86 4.060 4.054 0.006 1
1 433 . 11 1 1 A 86 86 ILE C C 86 172.400 175.946 -3.546 1
1 434 . 11 1 1 A 86 86 ILE CA C 86 56.800 61.547 -4.747 1
1 435 . 11 1 1 A 86 86 ILE CB C 86 32.700 38.423 -5.723 1
1 439 . 11 1 1 A 86 86 ILE N N 86 117.800 120.441 -2.641 1
1 440 . 11 1 1 A 87 87 LYS H H 87 8.200 8.437 -0.237 1
1 441 . 11 1 1 A 87 87 LYS HA H 87 3.470 1.980 1.490 1
1 450 . 11 1 1 A 87 87 LYS C C 87 175.200 176.469 -1.269 1
1 451 . 11 1 1 A 87 87 LYS CA C 87 56.800 57.630 -0.830 1
1 452 . 11 1 1 A 87 87 LYS CB C 87 30.300 31.453 -1.153 1
1 456 . 11 1 1 A 87 87 LYS N N 87 130.300 125.898 4.402 1
1 457 . 11 1 1 A 88 88 GLY H H 88 8.820 8.195 0.625 1
1 458 . 11 1 1 A 88 88 GLY HA2 H 88 4.440 2.911 1.529 1
1 459 . 11 1 1 A 88 88 GLY HA3 H 88 3.560 3.470 0.090 1
1 460 . 11 1 1 A 88 88 GLY C C 88 172.800 175.151 -2.351 1
1 461 . 11 1 1 A 88 88 GLY CA C 88 42.800 44.576 -1.776 1
1 462 . 11 1 1 A 88 88 GLY N N 88 110.400 113.144 -2.744 1
1 463 . 11 1 1 A 89 89 SER H H 89 8.570 8.516 0.054 1
1 464 . 11 1 1 A 89 89 SER HA H 89 4.040 4.232 -0.192 1
1 467 . 11 1 1 A 89 89 SER C C 89 171.300 174.403 -3.103 1
1 468 . 11 1 1 A 89 89 SER CA C 89 58.200 61.031 -2.831 1
1 469 . 11 1 1 A 89 89 SER CB C 89 59.200 63.137 -3.937 1
1 470 . 11 1 1 A 89 89 SER N N 89 118.000 115.079 2.921 1
1 471 . 11 1 1 A 90 90 ASP H H 90 10.480 8.429 2.051 1
1 472 . 11 1 1 A 90 90 ASP HA H 90 4.580 4.842 -0.262 1
1 475 . 11 1 1 A 90 90 ASP C C 90 173.500 176.698 -3.198 1
1 476 . 11 1 1 A 90 90 ASP CA C 90 50.500 53.110 -2.610 1
1 477 . 11 1 1 A 90 90 ASP CB C 90 34.900 41.487 -6.587 1
1 478 . 11 1 1 A 90 90 ASP N N 90 116.400 119.961 -3.561 1
1 479 . 11 1 1 A 91 91 CYS H H 91 7.420 8.090 -0.670 1
1 480 . 11 1 1 A 91 91 CYS HA H 91 5.180 4.951 0.229 1
1 483 . 11 1 1 A 91 91 CYS C C 91 172.800 174.596 -1.796 1
1 484 . 11 1 1 A 91 91 CYS CA C 91 50.600 56.233 -5.633 1
1 485 . 11 1 1 A 91 91 CYS CB C 91 38.000 44.269 -6.269 1
1 486 . 11 1 1 A 91 91 CYS N N 91 117.300 118.937 -1.637 1
1 487 . 11 1 1 A 92 92 VAL H H 92 7.320 7.539 -0.219 1
1 488 . 11 1 1 A 92 92 VAL HA H 92 3.470 3.772 -0.302 1
1 496 . 11 1 1 A 92 92 VAL C C 92 175.700 177.134 -1.434 1
1 497 . 11 1 1 A 92 92 VAL CA C 92 64.000 64.921 -0.921 1
1 498 . 11 1 1 A 92 92 VAL CB C 92 29.300 31.561 -2.261 1
1 501 . 11 1 1 A 92 92 VAL N N 92 120.500 121.708 -1.208 1
1 502 . 11 1 1 A 93 93 ASP H H 93 8.870 8.401 0.469 1
1 503 . 11 1 1 A 93 93 ASP HA H 93 4.280 4.300 -0.020 1
1 505 . 11 1 1 A 93 93 ASP C C 93 176.500 178.576 -2.076 1
1 506 . 11 1 1 A 93 93 ASP CA C 93 55.100 57.703 -2.603 1
1 507 . 11 1 1 A 93 93 ASP CB C 93 36.800 41.878 -5.078 1
1 508 . 11 1 1 A 93 93 ASP N N 93 120.500 121.787 -1.287 1
1 509 . 11 1 1 A 94 94 GLN H H 94 9.140 8.370 0.770 1
1 510 . 11 1 1 A 94 94 GLN HA H 94 3.920 4.032 -0.112 1
1 517 . 11 1 1 A 94 94 GLN C C 94 178.100 178.980 -0.880 1
1 518 . 11 1 1 A 94 94 GLN CA C 94 57.100 59.228 -2.128 1
1 519 . 11 1 1 A 94 94 GLN CB C 94 24.500 27.975 -3.475 1
1 521 . 11 1 1 A 94 94 GLN N N 94 121.800 118.116 3.684 1
1 523 . 11 1 1 A 95 95 PHE H H 95 8.920 8.173 0.747 1
1 524 . 11 1 1 A 95 95 PHE HA H 95 4.130 4.246 -0.116 1
1 529 . 11 1 1 A 95 95 PHE C C 95 175.100 178.167 -3.067 1
1 530 . 11 1 1 A 95 95 PHE CA C 95 57.500 60.903 -3.403 1
1 531 . 11 1 1 A 95 95 PHE CB C 95 34.500 38.798 -4.298 1
1 532 . 11 1 1 A 95 95 PHE N N 95 122.500 119.259 3.241 1
1 533 . 11 1 1 A 96 96 ARG H H 96 8.500 8.387 0.113 1
1 534 . 11 1 1 A 96 96 ARG HA H 96 4.040 3.882 0.158 1
1 540 . 11 1 1 A 96 96 ARG C C 96 175.700 178.229 -2.529 1
1 541 . 11 1 1 A 96 96 ARG CA C 96 56.800 59.788 -2.988 1
1 542 . 11 1 1 A 96 96 ARG CB C 96 26.800 29.483 -2.683 1
1 545 . 11 1 1 A 96 96 ARG N N 96 121.600 120.321 1.279 1
1 546 . 11 1 1 A 97 97 ALA H H 97 7.960 8.347 -0.387 1
1 547 . 11 1 1 A 97 97 ALA HA H 97 4.110 4.077 0.033 1
1 551 . 11 1 1 A 97 97 ALA C C 97 178.600 179.671 -1.071 1
1 552 . 11 1 1 A 97 97 ALA CA C 97 52.100 55.288 -3.188 1
1 553 . 11 1 1 A 97 97 ALA CB C 97 15.200 18.023 -2.823 1
1 554 . 11 1 1 A 97 97 ALA N N 97 120.300 121.050 -0.750 1
1 555 . 11 1 1 A 98 98 MET H H 98 7.600 8.396 -0.796 1
1 556 . 11 1 1 A 98 98 MET HA H 98 3.830 3.991 -0.161 1
1 559 . 11 1 1 A 98 98 MET C C 98 173.900 178.172 -4.272 1
1 560 . 11 1 1 A 98 98 MET CA C 98 56.400 58.298 -1.898 1
1 561 . 11 1 1 A 98 98 MET CB C 98 30.100 32.059 -1.959 1
1 563 . 11 1 1 A 98 98 MET N N 98 118.400 118.864 -0.464 1
1 564 . 11 1 1 A 99 99 GLN H H 99 8.410 7.416 0.994 1
1 565 . 11 1 1 A 99 99 GLN HA H 99 3.800 4.221 -0.421 1
1 569 . 11 1 1 A 99 99 GLN C C 99 173.400 178.542 -5.142 1
1 570 . 11 1 1 A 99 99 GLN CA C 99 56.800 58.386 -1.586 1
1 571 . 11 1 1 A 99 99 GLN CB C 99 25.900 28.575 -2.675 1
1 573 . 11 1 1 A 99 99 GLN N N 99 120.800 118.248 2.552 1
1 574 . 11 1 1 A 100 100 GLU H H 100 8.510 8.614 -0.104 1
1 575 . 11 1 1 A 100 100 GLU HA H 100 3.820 3.984 -0.164 1
1 580 . 11 1 1 A 100 100 GLU C C 100 175.900 178.667 -2.767 1
1 581 . 11 1 1 A 100 100 GLU CA C 100 56.500 59.381 -2.881 1
1 582 . 11 1 1 A 100 100 GLU CB C 100 26.900 28.725 -1.825 1
1 584 . 11 1 1 A 100 100 GLU N N 100 117.600 118.030 -0.430 1
1 585 . 11 1 1 A 101 101 CYS H H 101 7.310 7.983 -0.673 1
1 586 . 11 1 1 A 101 101 CYS HA H 101 4.230 4.117 0.113 1
1 589 . 11 1 1 A 101 101 CYS C C 101 173.800 176.604 -2.804 1
1 590 . 11 1 1 A 101 101 CYS CA C 101 57.800 59.227 -1.427 1
1 591 . 11 1 1 A 101 101 CYS CB C 101 36.500 42.000 -5.500 1
1 592 . 11 1 1 A 101 101 CYS N N 101 117.800 118.678 -0.878 1
1 593 . 11 1 1 A 102 102 MET H H 102 8.400 8.080 0.320 1
1 594 . 11 1 1 A 102 102 MET HA H 102 3.820 4.447 -0.627 1
1 599 . 11 1 1 A 102 102 MET C C 102 177.100 177.200 -0.100 1
1 600 . 11 1 1 A 102 102 MET CA C 102 57.100 57.005 0.095 1
1 601 . 11 1 1 A 102 102 MET CB C 102 30.200 31.843 -1.643 1
1 603 . 11 1 1 A 102 102 MET N N 102 119.100 119.492 -0.392 1
1 604 . 11 1 1 A 103 103 GLN H H 103 7.850 7.914 -0.064 1
1 605 . 11 1 1 A 103 103 GLN HA H 103 3.960 4.234 -0.274 1
1 612 . 11 1 1 A 103 103 GLN C C 103 174.000 176.775 -2.775 1
1 613 . 11 1 1 A 103 103 GLN CA C 103 55.000 57.402 -2.402 1
1 614 . 11 1 1 A 103 103 GLN CB C 103 25.900 28.956 -3.056 1
1 616 . 11 1 1 A 103 103 GLN N N 103 117.200 116.894 0.306 1
1 618 . 11 1 1 A 104 104 LYS H H 104 7.470 7.561 -0.091 1
1 619 . 11 1 1 A 104 104 LYS HA H 104 3.880 4.368 -0.488 1
1 626 . 11 1 1 A 104 104 LYS C C 104 173.200 176.058 -2.858 1
1 627 . 11 1 1 A 104 104 LYS CA C 104 54.600 57.038 -2.438 1
1 628 . 11 1 1 A 104 104 LYS CB C 104 29.600 34.108 -4.508 1
1 632 . 11 1 1 A 104 104 LYS N N 104 116.700 117.568 -0.868 1
1 633 . 11 1 1 A 105 105 TYR H H 105 7.390 8.188 -0.798 1
1 634 . 11 1 1 A 105 105 TYR HA H 105 5.040 5.136 -0.096 1
1 639 . 11 1 1 A 105 105 TYR C C 105 170.800 175.028 -4.228 1
1 640 . 11 1 1 A 105 105 TYR CA C 105 52.300 55.026 -2.726 1
1 641 . 11 1 1 A 105 105 TYR CB C 105 36.700 38.853 -2.153 1
1 642 . 11 1 1 A 105 105 TYR N N 105 115.700 117.944 -2.244 1
1 643 . 11 1 1 A 106 106 PRO HA H 106 4.470 4.432 0.038 1
1 650 . 11 1 1 A 106 106 PRO CA C 106 61.800 66.040 -4.240 1
1 651 . 11 1 1 A 106 106 PRO CB C 106 29.000 31.447 -2.447 1
1 654 . 11 1 1 A 107 107 ASP H H 107 8.750 7.952 0.798 1
1 655 . 11 1 1 A 107 107 ASP HA H 107 4.310 4.476 -0.166 1
1 658 . 11 1 1 A 107 107 ASP C C 107 174.000 176.682 -2.682 1
1 659 . 11 1 1 A 107 107 ASP CA C 107 52.200 52.898 -0.698 1
1 660 . 11 1 1 A 107 107 ASP CB C 107 36.800 41.682 -4.882 1
1 661 . 11 1 1 A 107 107 ASP N N 107 114.800 116.852 -2.052 1
1 662 . 11 1 1 A 108 108 LEU H H 108 7.270 8.173 -0.903 1
1 663 . 11 1 1 A 108 108 LEU HA H 108 4.030 4.108 -0.078 1
1 673 . 11 1 1 A 108 108 LEU C C 108 173.800 177.950 -4.150 1
1 674 . 11 1 1 A 108 108 LEU CA C 108 52.500 56.495 -3.995 1
1 675 . 11 1 1 A 108 108 LEU CB C 108 40.000 41.536 -1.536 1
1 679 . 11 1 1 A 108 108 LEU N N 108 118.900 117.232 1.668 1
1 7 . 12 1 1 A 46 46 LEU HA H 46 3.970 4.183 -0.213 1
1 17 . 12 1 1 A 46 46 LEU CA C 46 55.000 56.239 -1.239 1
1 18 . 12 1 1 A 46 46 LEU CB C 46 40.300 39.955 0.345 1
1 22 . 12 1 1 A 47 47 ILE H H 47 7.570 7.774 -0.204 1
1 23 . 12 1 1 A 47 47 ILE HA H 47 4.270 4.159 0.111 1
1 33 . 12 1 1 A 47 47 ILE C C 47 174.500 175.412 -0.912 1
1 34 . 12 1 1 A 47 47 ILE CA C 47 54.600 60.270 -5.670 1
1 35 . 12 1 1 A 47 47 ILE CB C 47 34.500 38.218 -3.718 1
1 39 . 12 1 1 A 47 47 ILE N N 47 115.000 122.260 -7.260 1
1 40 . 12 1 1 A 48 48 LEU H H 48 8.760 8.991 -0.231 1
1 41 . 12 1 1 A 48 48 LEU HA H 48 4.260 4.447 -0.187 1
1 51 . 12 1 1 A 48 48 LEU C C 48 174.400 176.658 -2.258 1
1 52 . 12 1 1 A 48 48 LEU CA C 48 51.200 53.127 -1.927 1
1 53 . 12 1 1 A 48 48 LEU CB C 48 37.800 41.274 -3.474 1
1 57 . 12 1 1 A 48 48 LEU N N 48 127.400 127.094 0.306 1
1 58 . 12 1 1 A 49 49 PRO HA H 49 4.170 4.489 -0.319 1
1 63 . 12 1 1 A 49 49 PRO CA C 49 62.500 64.354 -1.854 1
1 64 . 12 1 1 A 49 49 PRO CB C 49 28.900 31.385 -2.485 1
1 67 . 12 1 1 A 50 50 ASN H H 50 7.180 7.789 -0.609 1
1 68 . 12 1 1 A 50 50 ASN HA H 50 4.420 4.738 -0.318 1
1 73 . 12 1 1 A 50 50 ASN C C 50 173.700 176.186 -2.486 1
1 74 . 12 1 1 A 50 50 ASN CA C 50 49.500 52.113 -2.613 1
1 75 . 12 1 1 A 50 50 ASN CB C 50 34.400 38.333 -3.933 1
1 76 . 12 1 1 A 50 50 ASN N N 50 111.000 113.874 -2.874 1
1 78 . 12 1 1 A 51 51 GLY H H 51 8.370 8.202 0.168 1
1 79 . 12 1 1 A 51 51 GLY HA2 H 51 4.220 3.864 0.356 1
1 80 . 12 1 1 A 51 51 GLY HA3 H 51 3.400 3.930 -0.530 1
1 81 . 12 1 1 A 51 51 GLY C C 51 171.500 174.096 -2.596 1
1 82 . 12 1 1 A 51 51 GLY CA C 51 42.200 45.046 -2.846 1
1 83 . 12 1 1 A 51 51 GLY N N 51 108.400 109.625 -1.225 1
1 84 . 12 1 1 A 52 52 ASN H H 52 7.810 8.079 -0.269 1
1 85 . 12 1 1 A 52 52 ASN HA H 52 4.670 5.176 -0.506 1
1 90 . 12 1 1 A 52 52 ASN C C 52 170.900 174.615 -3.715 1
1 91 . 12 1 1 A 52 52 ASN CA C 52 49.400 52.268 -2.868 1
1 92 . 12 1 1 A 52 52 ASN CB C 52 36.100 40.340 -4.240 1
1 93 . 12 1 1 A 52 52 ASN N N 52 119.100 119.700 -0.600 1
1 95 . 12 1 1 A 53 53 ILE H H 53 8.070 8.156 -0.086 1
1 96 . 12 1 1 A 53 53 ILE HA H 53 3.470 3.924 -0.454 1
1 106 . 12 1 1 A 53 53 ILE C C 53 172.300 174.536 -2.236 1
1 107 . 12 1 1 A 53 53 ILE CA C 53 59.100 59.822 -0.722 1
1 108 . 12 1 1 A 53 53 ILE CB C 53 36.000 37.914 -1.914 1
1 112 . 12 1 1 A 53 53 ILE N N 53 120.100 122.512 -2.412 1
1 113 . 12 1 1 A 54 54 ASN H H 54 8.700 8.494 0.206 1
1 114 . 12 1 1 A 54 54 ASN HA H 54 4.350 4.576 -0.226 1
1 119 . 12 1 1 A 54 54 ASN C C 54 172.300 175.693 -3.393 1
1 120 . 12 1 1 A 54 54 ASN CA C 54 47.500 52.020 -4.520 1
1 121 . 12 1 1 A 54 54 ASN CB C 54 34.200 37.933 -3.733 1
1 122 . 12 1 1 A 54 54 ASN N N 54 123.200 124.545 -1.345 1
1 124 . 12 1 1 A 55 55 TRP H H 55 7.520 7.870 -0.350 1
1 125 . 12 1 1 A 55 55 TRP HA H 55 4.300 4.684 -0.384 1
1 134 . 12 1 1 A 55 55 TRP C C 55 172.100 176.811 -4.711 1
1 135 . 12 1 1 A 55 55 TRP CA C 55 55.200 57.343 -2.143 1
1 136 . 12 1 1 A 55 55 TRP CB C 55 26.400 28.503 -2.103 1
1 137 . 12 1 1 A 55 55 TRP N N 55 124.600 124.907 -0.307 1
1 138 . 12 1 1 A 56 56 ASN H H 56 7.380 8.558 -1.178 1
1 139 . 12 1 1 A 56 56 ASN HA H 56 4.720 4.995 -0.275 1
1 144 . 12 1 1 A 56 56 ASN C C 56 172.100 174.698 -2.598 1
1 145 . 12 1 1 A 56 56 ASN CA C 56 49.500 53.173 -3.673 1
1 146 . 12 1 1 A 56 56 ASN CB C 56 36.200 40.284 -4.084 1
1 147 . 12 1 1 A 56 56 ASN N N 56 112.500 116.214 -3.714 1
1 149 . 12 1 1 A 57 57 CYS H H 57 7.460 7.284 0.176 1
1 150 . 12 1 1 A 57 57 CYS HA H 57 4.280 4.497 -0.217 1
1 153 . 12 1 1 A 57 57 CYS C C 57 173.000 173.220 -0.220 1
1 154 . 12 1 1 A 57 57 CYS CA C 57 54.900 58.933 -4.033 1
1 155 . 12 1 1 A 57 57 CYS CB C 57 25.000 27.364 -2.364 1
1 156 . 12 1 1 A 57 57 CYS N N 57 123.000 119.593 3.407 1
1 157 . 12 1 1 A 58 58 PRO HA H 58 4.200 4.297 -0.097 1
1 162 . 12 1 1 A 58 58 PRO CA C 58 62.700 63.778 -1.078 1
1 163 . 12 1 1 A 58 58 PRO CB C 58 29.300 32.020 -2.720 1
1 166 . 12 1 1 A 59 59 CYS HA H 59 4.390 4.315 0.075 1
1 168 . 12 1 1 A 59 59 CYS CA C 59 57.000 61.211 -4.211 1
1 169 . 12 1 1 A 59 59 CYS CB C 59 24.400 27.363 -2.963 1
1 170 . 12 1 1 A 60 60 LEU H H 60 7.500 8.285 -0.785 1
1 171 . 12 1 1 A 60 60 LEU HA H 60 4.180 4.146 0.034 1
1 181 . 12 1 1 A 60 60 LEU C C 60 175.700 178.931 -3.231 1
1 182 . 12 1 1 A 60 60 LEU CA C 60 52.000 57.990 -5.990 1
1 183 . 12 1 1 A 60 60 LEU CB C 60 39.000 41.945 -2.945 1
1 187 . 12 1 1 A 60 60 LEU N N 60 117.700 122.018 -4.318 1
1 188 . 12 1 1 A 61 61 GLY H H 61 7.880 8.229 -0.349 1
1 189 . 12 1 1 A 61 61 GLY HA2 H 61 3.830 3.856 -0.026 1
1 190 . 12 1 1 A 61 61 GLY HA3 H 61 3.680 3.973 -0.293 1
1 191 . 12 1 1 A 61 61 GLY C C 61 172.700 176.541 -3.841 1
1 192 . 12 1 1 A 61 61 GLY CA C 61 44.700 46.965 -2.265 1
1 193 . 12 1 1 A 61 61 GLY N N 61 105.700 106.238 -0.538 1
1 194 . 12 1 1 A 62 62 GLY H H 62 8.580 8.116 0.464 1
1 195 . 12 1 1 A 62 62 GLY HA2 H 62 3.810 3.750 0.060 1
1 196 . 12 1 1 A 62 62 GLY HA3 H 62 3.680 3.752 -0.072 1
1 197 . 12 1 1 A 62 62 GLY C C 62 174.000 175.998 -1.998 1
1 198 . 12 1 1 A 62 62 GLY CA C 62 42.800 46.997 -4.197 1
1 199 . 12 1 1 A 62 62 GLY N N 62 108.500 109.790 -1.290 1
1 200 . 12 1 1 A 63 63 MET H H 63 7.460 8.228 -0.768 1
1 201 . 12 1 1 A 63 63 MET HA H 63 3.870 3.994 -0.124 1
1 206 . 12 1 1 A 63 63 MET C C 63 174.600 177.405 -2.805 1
1 207 . 12 1 1 A 63 63 MET CA C 63 54.400 57.564 -3.164 1
1 208 . 12 1 1 A 63 63 MET CB C 63 27.600 31.235 -3.635 1
1 210 . 12 1 1 A 63 63 MET N N 63 118.500 119.822 -1.322 1
1 211 . 12 1 1 A 64 64 ALA H H 64 8.080 7.075 1.005 1
1 212 . 12 1 1 A 64 64 ALA HA H 64 4.220 4.391 -0.171 1
1 216 . 12 1 1 A 64 64 ALA C C 64 173.800 176.687 -2.887 1
1 217 . 12 1 1 A 64 64 ALA CA C 64 50.400 52.430 -2.030 1
1 218 . 12 1 1 A 64 64 ALA CB C 64 16.500 18.878 -2.378 1
1 219 . 12 1 1 A 64 64 ALA N N 64 117.500 120.207 -2.707 1
1 220 . 12 1 1 A 65 65 SER H H 65 7.460 7.414 0.046 1
1 221 . 12 1 1 A 65 65 SER HA H 65 4.570 4.553 0.017 1
1 224 . 12 1 1 A 65 65 SER C C 65 171.500 174.482 -2.982 1
1 225 . 12 1 1 A 65 65 SER CA C 65 54.800 57.078 -2.278 1
1 226 . 12 1 1 A 65 65 SER CB C 65 61.800 65.097 -3.297 1
1 227 . 12 1 1 A 65 65 SER N N 65 111.200 115.122 -3.922 1
1 228 . 12 1 1 A 66 66 GLY H H 66 7.480 8.634 -1.154 1
1 229 . 12 1 1 A 66 66 GLY HA2 H 66 3.980 4.093 -0.113 1
1 230 . 12 1 1 A 66 66 GLY HA3 H 66 4.030 4.140 -0.110 1
1 231 . 12 1 1 A 66 66 GLY C C 66 170.600 174.509 -3.909 1
1 232 . 12 1 1 A 66 66 GLY CA C 66 42.000 44.855 -2.855 1
1 233 . 12 1 1 A 66 66 GLY N N 66 108.800 111.904 -3.104 1
1 234 . 12 1 1 A 67 67 PRO HA H 67 4.210 4.313 -0.103 1
1 241 . 12 1 1 A 67 67 PRO CA C 67 62.000 65.477 -3.477 1
1 242 . 12 1 1 A 67 67 PRO CB C 67 28.900 31.162 -2.262 1
1 245 . 12 1 1 A 68 68 CYS H H 68 7.700 8.092 -0.392 1
1 246 . 12 1 1 A 68 68 CYS HA H 68 5.450 4.383 1.067 1
1 249 . 12 1 1 A 68 68 CYS C C 68 173.500 176.698 -3.198 1
1 250 . 12 1 1 A 68 68 CYS CA C 68 49.500 59.191 -9.691 1
1 251 . 12 1 1 A 68 68 CYS CB C 68 36.200 41.643 -5.443 1
1 252 . 12 1 1 A 68 68 CYS N N 68 115.300 114.708 0.592 1
1 253 . 12 1 1 A 69 69 GLY H H 69 7.840 8.442 -0.602 1
1 254 . 12 1 1 A 69 69 GLY HA2 H 69 3.950 3.710 0.240 1
1 255 . 12 1 1 A 69 69 GLY HA3 H 69 3.550 3.747 -0.197 1
1 256 . 12 1 1 A 69 69 GLY C C 69 173.300 176.014 -2.714 1
1 257 . 12 1 1 A 69 69 GLY CA C 69 45.200 47.288 -2.088 1
1 258 . 12 1 1 A 69 69 GLY N N 69 110.200 109.575 0.625 1
1 259 . 12 1 1 A 70 70 GLU H H 70 8.650 8.630 0.020 1
1 260 . 12 1 1 A 70 70 GLU HA H 70 3.760 3.904 -0.144 1
1 265 . 12 1 1 A 70 70 GLU C C 70 176.800 178.612 -1.812 1
1 266 . 12 1 1 A 70 70 GLU CA C 70 56.300 58.757 -2.457 1
1 267 . 12 1 1 A 70 70 GLU CB C 70 26.000 28.107 -2.107 1
1 269 . 12 1 1 A 70 70 GLU N N 70 120.000 120.894 -0.894 1
1 270 . 12 1 1 A 71 71 GLN H H 71 8.860 7.686 1.174 1
1 271 . 12 1 1 A 71 71 GLN HA H 71 3.850 4.017 -0.167 1
1 278 . 12 1 1 A 71 71 GLN C C 71 177.400 178.404 -1.004 1
1 279 . 12 1 1 A 71 71 GLN CA C 71 57.200 58.656 -1.456 1
1 280 . 12 1 1 A 71 71 GLN CB C 71 24.400 28.749 -4.349 1
1 282 . 12 1 1 A 71 71 GLN N N 71 120.800 118.856 1.944 1
1 284 . 12 1 1 A 72 72 PHE H H 72 8.890 7.732 1.158 1
1 285 . 12 1 1 A 72 72 PHE HA H 72 4.200 3.993 0.207 1
1 291 . 12 1 1 A 72 72 PHE C C 72 173.500 177.716 -4.216 1
1 292 . 12 1 1 A 72 72 PHE CA C 72 59.000 61.335 -2.335 1
1 293 . 12 1 1 A 72 72 PHE CB C 72 36.000 39.154 -3.154 1
1 294 . 12 1 1 A 72 72 PHE N N 72 123.400 120.555 2.845 1
1 295 . 12 1 1 A 73 73 LYS H H 73 8.480 8.226 0.254 1
1 296 . 12 1 1 A 73 73 LYS HA H 73 3.430 3.250 0.180 1
1 304 . 12 1 1 A 73 73 LYS C C 73 177.600 178.393 -0.793 1
1 305 . 12 1 1 A 73 73 LYS CA C 73 56.700 59.360 -2.660 1
1 306 . 12 1 1 A 73 73 LYS CB C 73 29.600 31.910 -2.310 1
1 310 . 12 1 1 A 73 73 LYS N N 73 119.900 118.249 1.651 1
1 311 . 12 1 1 A 74 74 SER H H 74 7.780 7.735 0.045 1
1 312 . 12 1 1 A 74 74 SER HA H 74 4.120 4.071 0.049 1
1 315 . 12 1 1 A 74 74 SER C C 74 174.300 177.103 -2.803 1
1 316 . 12 1 1 A 74 74 SER CA C 74 58.700 61.635 -2.935 1
1 317 . 12 1 1 A 74 74 SER CB C 74 59.900 62.926 -3.026 1
1 318 . 12 1 1 A 74 74 SER N N 74 114.200 114.261 -0.061 1
1 319 . 12 1 1 A 75 75 ALA H H 75 7.870 8.549 -0.679 1
1 320 . 12 1 1 A 75 75 ALA HA H 75 3.840 3.928 -0.088 1
1 324 . 12 1 1 A 75 75 ALA C C 75 175.100 179.816 -4.716 1
1 325 . 12 1 1 A 75 75 ALA CA C 75 53.200 54.942 -1.742 1
1 326 . 12 1 1 A 75 75 ALA CB C 75 15.500 18.070 -2.570 1
1 327 . 12 1 1 A 75 75 ALA N N 75 123.100 122.150 0.950 1
1 328 . 12 1 1 A 76 76 PHE H H 76 9.450 7.801 1.649 1
1 329 . 12 1 1 A 76 76 PHE HA H 76 3.700 4.327 -0.627 1
1 334 . 12 1 1 A 76 76 PHE C C 76 174.600 178.016 -3.416 1
1 335 . 12 1 1 A 76 76 PHE CA C 76 59.600 61.770 -2.170 1
1 336 . 12 1 1 A 76 76 PHE CB C 76 35.800 38.952 -3.152 1
1 337 . 12 1 1 A 76 76 PHE N N 76 118.800 118.881 -0.081 1
1 338 . 12 1 1 A 77 77 SER H H 77 8.550 8.846 -0.296 1
1 339 . 12 1 1 A 77 77 SER HA H 77 4.130 4.280 -0.150 1
1 341 . 12 1 1 A 77 77 SER C C 77 172.200 176.611 -4.411 1
1 342 . 12 1 1 A 77 77 SER CA C 77 60.100 61.345 -1.245 1
1 343 . 12 1 1 A 77 77 SER CB C 77 59.800 62.119 -2.319 1
1 344 . 12 1 1 A 77 77 SER N N 77 113.200 114.098 -0.898 1
1 345 . 12 1 1 A 78 78 CYS H H 78 7.430 8.704 -1.274 1
1 346 . 12 1 1 A 78 78 CYS HA H 78 4.080 4.068 0.012 1
1 349 . 12 1 1 A 78 78 CYS C C 78 174.000 176.082 -2.082 1
1 350 . 12 1 1 A 78 78 CYS CA C 78 57.900 60.440 -2.540 1
1 351 . 12 1 1 A 78 78 CYS CB C 78 36.400 40.372 -3.972 1
1 352 . 12 1 1 A 78 78 CYS N N 78 118.900 119.598 -0.698 1
1 353 . 12 1 1 A 79 79 PHE H H 79 8.270 8.450 -0.180 1
1 354 . 12 1 1 A 79 79 PHE HA H 79 3.740 4.285 -0.545 1
1 359 . 12 1 1 A 79 79 PHE C C 79 173.600 177.585 -3.985 1
1 360 . 12 1 1 A 79 79 PHE CA C 79 59.200 61.377 -2.177 1
1 361 . 12 1 1 A 79 79 PHE CB C 79 37.000 39.248 -2.248 1
1 362 . 12 1 1 A 79 79 PHE N N 79 120.400 122.135 -1.735 1
1 363 . 12 1 1 A 80 80 HIS H H 80 8.840 8.232 0.608 1
1 364 . 12 1 1 A 80 80 HIS HA H 80 3.460 4.000 -0.540 1
1 368 . 12 1 1 A 80 80 HIS C C 80 175.700 176.768 -1.068 1
1 369 . 12 1 1 A 80 80 HIS CA C 80 57.000 59.876 -2.876 1
1 370 . 12 1 1 A 80 80 HIS CB C 80 28.300 30.556 -2.256 1
1 371 . 12 1 1 A 80 80 HIS N N 80 118.400 118.488 -0.088 1
1 372 . 12 1 1 A 81 81 TYR H H 81 7.710 8.720 -1.010 1
1 373 . 12 1 1 A 81 81 TYR HA H 81 4.080 4.002 0.078 1
1 378 . 12 1 1 A 81 81 TYR C C 81 172.400 177.645 -5.245 1
1 379 . 12 1 1 A 81 81 TYR CA C 81 56.100 62.052 -5.952 1
1 380 . 12 1 1 A 81 81 TYR CB C 81 34.800 37.471 -2.671 1
1 381 . 12 1 1 A 81 81 TYR N N 81 113.400 117.773 -4.373 1
1 382 . 12 1 1 A 82 82 SER H H 82 7.070 7.911 -0.841 1
1 383 . 12 1 1 A 82 82 SER HA H 82 4.410 4.460 -0.050 1
1 386 . 12 1 1 A 82 82 SER C C 82 174.500 174.457 0.043 1
1 387 . 12 1 1 A 82 82 SER CA C 82 56.300 59.843 -3.543 1
1 388 . 12 1 1 A 82 82 SER CB C 82 59.200 63.671 -4.471 1
1 389 . 12 1 1 A 82 82 SER N N 82 115.600 115.687 -0.087 1
1 390 . 12 1 1 A 83 83 THR H H 83 9.290 7.930 1.360 1
1 391 . 12 1 1 A 83 83 THR HA H 83 4.400 3.956 0.444 1
1 396 . 12 1 1 A 83 83 THR C C 83 172.200 173.649 -1.449 1
1 397 . 12 1 1 A 83 83 THR CA C 83 57.500 62.773 -5.273 1
1 398 . 12 1 1 A 83 83 THR CB C 83 65.800 66.395 -0.595 1
1 400 . 12 1 1 A 83 83 THR N N 83 120.400 114.386 6.014 1
1 401 . 12 1 1 A 84 84 GLU H H 84 7.170 8.018 -0.848 1
1 402 . 12 1 1 A 84 84 GLU HA H 84 3.860 4.637 -0.777 1
1 406 . 12 1 1 A 84 84 GLU C C 84 173.300 176.795 -3.495 1
1 407 . 12 1 1 A 84 84 GLU CA C 84 53.100 56.764 -3.664 1
1 408 . 12 1 1 A 84 84 GLU CB C 84 28.400 30.970 -2.570 1
1 410 . 12 1 1 A 84 84 GLU N N 84 121.600 122.187 -0.587 1
1 411 . 12 1 1 A 85 85 GLU H H 85 8.390 7.928 0.462 1
1 412 . 12 1 1 A 85 85 GLU HA H 85 3.730 4.676 -0.946 1
1 417 . 12 1 1 A 85 85 GLU C C 85 175.500 175.658 -0.158 1
1 418 . 12 1 1 A 85 85 GLU CA C 85 56.700 58.044 -1.344 1
1 419 . 12 1 1 A 85 85 GLU CB C 85 26.900 31.952 -5.052 1
1 421 . 12 1 1 A 85 85 GLU N N 85 121.800 115.133 6.667 1
1 422 . 12 1 1 A 86 86 ILE H H 86 8.060 8.276 -0.216 1
1 423 . 12 1 1 A 86 86 ILE HA H 86 4.060 4.198 -0.138 1
1 433 . 12 1 1 A 86 86 ILE C C 86 172.400 175.779 -3.379 1
1 434 . 12 1 1 A 86 86 ILE CA C 86 56.800 60.783 -3.983 1
1 435 . 12 1 1 A 86 86 ILE CB C 86 32.700 39.062 -6.362 1
1 439 . 12 1 1 A 86 86 ILE N N 86 117.800 120.251 -2.451 1
1 440 . 12 1 1 A 87 87 LYS H H 87 8.200 8.366 -0.166 1
1 441 . 12 1 1 A 87 87 LYS HA H 87 3.470 1.957 1.513 1
1 450 . 12 1 1 A 87 87 LYS C C 87 175.200 176.457 -1.257 1
1 451 . 12 1 1 A 87 87 LYS CA C 87 56.800 57.377 -0.577 1
1 452 . 12 1 1 A 87 87 LYS CB C 87 30.300 31.271 -0.971 1
1 456 . 12 1 1 A 87 87 LYS N N 87 130.300 125.714 4.586 1
1 457 . 12 1 1 A 88 88 GLY H H 88 8.820 8.429 0.391 1
1 458 . 12 1 1 A 88 88 GLY HA2 H 88 4.440 3.180 1.260 1
1 459 . 12 1 1 A 88 88 GLY HA3 H 88 3.560 3.711 -0.151 1
1 460 . 12 1 1 A 88 88 GLY C C 88 172.800 175.182 -2.382 1
1 461 . 12 1 1 A 88 88 GLY CA C 88 42.800 44.764 -1.964 1
1 462 . 12 1 1 A 88 88 GLY N N 88 110.400 113.142 -2.742 1
1 463 . 12 1 1 A 89 89 SER H H 89 8.570 8.218 0.352 1
1 464 . 12 1 1 A 89 89 SER HA H 89 4.040 4.269 -0.229 1
1 467 . 12 1 1 A 89 89 SER C C 89 171.300 174.305 -3.005 1
1 468 . 12 1 1 A 89 89 SER CA C 89 58.200 60.748 -2.548 1
1 469 . 12 1 1 A 89 89 SER CB C 89 59.200 62.923 -3.723 1
1 470 . 12 1 1 A 89 89 SER N N 89 118.000 115.172 2.828 1
1 471 . 12 1 1 A 90 90 ASP H H 90 10.480 8.462 2.018 1
1 472 . 12 1 1 A 90 90 ASP HA H 90 4.580 4.840 -0.260 1
1 475 . 12 1 1 A 90 90 ASP C C 90 173.500 176.767 -3.267 1
1 476 . 12 1 1 A 90 90 ASP CA C 90 50.500 53.541 -3.041 1
1 477 . 12 1 1 A 90 90 ASP CB C 90 34.900 41.875 -6.975 1
1 478 . 12 1 1 A 90 90 ASP N N 90 116.400 119.682 -3.282 1
1 479 . 12 1 1 A 91 91 CYS H H 91 7.420 7.923 -0.503 1
1 480 . 12 1 1 A 91 91 CYS HA H 91 5.180 5.028 0.152 1
1 483 . 12 1 1 A 91 91 CYS C C 91 172.800 174.555 -1.755 1
1 484 . 12 1 1 A 91 91 CYS CA C 91 50.600 56.042 -5.442 1
1 485 . 12 1 1 A 91 91 CYS CB C 91 38.000 44.191 -6.191 1
1 486 . 12 1 1 A 91 91 CYS N N 91 117.300 117.376 -0.076 1
1 487 . 12 1 1 A 92 92 VAL H H 92 7.320 7.404 -0.084 1
1 488 . 12 1 1 A 92 92 VAL HA H 92 3.470 3.773 -0.303 1
1 496 . 12 1 1 A 92 92 VAL C C 92 175.700 177.325 -1.625 1
1 497 . 12 1 1 A 92 92 VAL CA C 92 64.000 65.054 -1.054 1
1 498 . 12 1 1 A 92 92 VAL CB C 92 29.300 31.423 -2.123 1
1 501 . 12 1 1 A 92 92 VAL N N 92 120.500 121.906 -1.406 1
1 502 . 12 1 1 A 93 93 ASP H H 93 8.870 8.359 0.511 1
1 503 . 12 1 1 A 93 93 ASP HA H 93 4.280 4.429 -0.149 1
1 505 . 12 1 1 A 93 93 ASP C C 93 176.500 177.880 -1.380 1
1 506 . 12 1 1 A 93 93 ASP CA C 93 55.100 57.316 -2.216 1
1 507 . 12 1 1 A 93 93 ASP CB C 93 36.800 42.037 -5.237 1
1 508 . 12 1 1 A 93 93 ASP N N 93 120.500 121.491 -0.991 1
1 509 . 12 1 1 A 94 94 GLN H H 94 9.140 7.850 1.290 1
1 510 . 12 1 1 A 94 94 GLN HA H 94 3.920 4.247 -0.327 1
1 517 . 12 1 1 A 94 94 GLN C C 94 178.100 178.647 -0.547 1
1 518 . 12 1 1 A 94 94 GLN CA C 94 57.100 58.193 -1.093 1
1 519 . 12 1 1 A 94 94 GLN CB C 94 24.500 29.181 -4.681 1
1 521 . 12 1 1 A 94 94 GLN N N 94 121.800 117.774 4.026 1
1 523 . 12 1 1 A 95 95 PHE H H 95 8.920 8.295 0.625 1
1 524 . 12 1 1 A 95 95 PHE HA H 95 4.130 4.204 -0.074 1
1 529 . 12 1 1 A 95 95 PHE C C 95 175.100 178.109 -3.009 1
1 530 . 12 1 1 A 95 95 PHE CA C 95 57.500 61.715 -4.215 1
1 531 . 12 1 1 A 95 95 PHE CB C 95 34.500 38.493 -3.993 1
1 532 . 12 1 1 A 95 95 PHE N N 95 122.500 119.235 3.265 1
1 533 . 12 1 1 A 96 96 ARG H H 96 8.500 8.528 -0.028 1
1 534 . 12 1 1 A 96 96 ARG HA H 96 4.040 3.808 0.232 1
1 540 . 12 1 1 A 96 96 ARG C C 96 175.700 178.272 -2.572 1
1 541 . 12 1 1 A 96 96 ARG CA C 96 56.800 60.062 -3.262 1
1 542 . 12 1 1 A 96 96 ARG CB C 96 26.800 29.777 -2.977 1
1 545 . 12 1 1 A 96 96 ARG N N 96 121.600 120.137 1.463 1
1 546 . 12 1 1 A 97 97 ALA H H 97 7.960 8.117 -0.157 1
1 547 . 12 1 1 A 97 97 ALA HA H 97 4.110 4.072 0.038 1
1 551 . 12 1 1 A 97 97 ALA C C 97 178.600 179.759 -1.159 1
1 552 . 12 1 1 A 97 97 ALA CA C 97 52.100 55.222 -3.122 1
1 553 . 12 1 1 A 97 97 ALA CB C 97 15.200 18.085 -2.885 1
1 554 . 12 1 1 A 97 97 ALA N N 97 120.300 120.571 -0.271 1
1 555 . 12 1 1 A 98 98 MET H H 98 7.600 8.389 -0.789 1
1 556 . 12 1 1 A 98 98 MET HA H 98 3.830 4.111 -0.281 1
1 559 . 12 1 1 A 98 98 MET C C 98 173.900 178.425 -4.525 1
1 560 . 12 1 1 A 98 98 MET CA C 98 56.400 58.105 -1.705 1
1 561 . 12 1 1 A 98 98 MET CB C 98 30.100 31.998 -1.898 1
1 563 . 12 1 1 A 98 98 MET N N 98 118.400 118.820 -0.420 1
1 564 . 12 1 1 A 99 99 GLN H H 99 8.410 7.926 0.484 1
1 565 . 12 1 1 A 99 99 GLN HA H 99 3.800 4.114 -0.314 1
1 569 . 12 1 1 A 99 99 GLN C C 99 173.400 178.385 -4.985 1
1 570 . 12 1 1 A 99 99 GLN CA C 99 56.800 59.040 -2.240 1
1 571 . 12 1 1 A 99 99 GLN CB C 99 25.900 28.394 -2.494 1
1 573 . 12 1 1 A 99 99 GLN N N 99 120.800 118.221 2.579 1
1 574 . 12 1 1 A 100 100 GLU H H 100 8.510 8.487 0.023 1
1 575 . 12 1 1 A 100 100 GLU HA H 100 3.820 3.963 -0.143 1
1 580 . 12 1 1 A 100 100 GLU C C 100 175.900 178.746 -2.846 1
1 581 . 12 1 1 A 100 100 GLU CA C 100 56.500 59.210 -2.710 1
1 582 . 12 1 1 A 100 100 GLU CB C 100 26.900 28.225 -1.325 1
1 584 . 12 1 1 A 100 100 GLU N N 100 117.600 117.428 0.172 1
1 585 . 12 1 1 A 101 101 CYS H H 101 7.310 7.662 -0.352 1
1 586 . 12 1 1 A 101 101 CYS HA H 101 4.230 4.077 0.153 1
1 589 . 12 1 1 A 101 101 CYS C C 101 173.800 176.081 -2.281 1
1 590 . 12 1 1 A 101 101 CYS CA C 101 57.800 59.297 -1.497 1
1 591 . 12 1 1 A 101 101 CYS CB C 101 36.500 41.976 -5.476 1
1 592 . 12 1 1 A 101 101 CYS N N 101 117.800 118.781 -0.981 1
1 593 . 12 1 1 A 102 102 MET H H 102 8.400 8.630 -0.230 1
1 594 . 12 1 1 A 102 102 MET HA H 102 3.820 4.277 -0.457 1
1 599 . 12 1 1 A 102 102 MET C C 102 177.100 177.873 -0.773 1
1 600 . 12 1 1 A 102 102 MET CA C 102 57.100 57.933 -0.833 1
1 601 . 12 1 1 A 102 102 MET CB C 102 30.200 31.713 -1.513 1
1 603 . 12 1 1 A 102 102 MET N N 102 119.100 119.632 -0.532 1
1 604 . 12 1 1 A 103 103 GLN H H 103 7.850 8.599 -0.749 1
1 605 . 12 1 1 A 103 103 GLN HA H 103 3.960 4.074 -0.114 1
1 612 . 12 1 1 A 103 103 GLN C C 103 174.000 177.433 -3.433 1
1 613 . 12 1 1 A 103 103 GLN CA C 103 55.000 57.836 -2.836 1
1 614 . 12 1 1 A 103 103 GLN CB C 103 25.900 27.206 -1.306 1
1 616 . 12 1 1 A 103 103 GLN N N 103 117.200 117.428 -0.228 1
1 618 . 12 1 1 A 104 104 LYS H H 104 7.470 7.537 -0.067 1
1 619 . 12 1 1 A 104 104 LYS HA H 104 3.880 4.206 -0.326 1
1 626 . 12 1 1 A 104 104 LYS C C 104 173.200 176.170 -2.970 1
1 627 . 12 1 1 A 104 104 LYS CA C 104 54.600 57.712 -3.112 1
1 628 . 12 1 1 A 104 104 LYS CB C 104 29.600 33.518 -3.918 1
1 632 . 12 1 1 A 104 104 LYS N N 104 116.700 117.739 -1.039 1
1 633 . 12 1 1 A 105 105 TYR H H 105 7.390 7.747 -0.357 1
1 634 . 12 1 1 A 105 105 TYR HA H 105 5.040 4.959 0.081 1
1 639 . 12 1 1 A 105 105 TYR C C 105 170.800 174.740 -3.940 1
1 640 . 12 1 1 A 105 105 TYR CA C 105 52.300 54.950 -2.650 1
1 641 . 12 1 1 A 105 105 TYR CB C 105 36.700 38.552 -1.852 1
1 642 . 12 1 1 A 105 105 TYR N N 105 115.700 117.902 -2.202 1
1 643 . 12 1 1 A 106 106 PRO HA H 106 4.470 4.540 -0.070 1
1 650 . 12 1 1 A 106 106 PRO CA C 106 61.800 65.214 -3.414 1
1 651 . 12 1 1 A 106 106 PRO CB C 106 29.000 31.881 -2.881 1
1 654 . 12 1 1 A 107 107 ASP H H 107 8.750 7.921 0.829 1
1 655 . 12 1 1 A 107 107 ASP HA H 107 4.310 4.890 -0.580 1
1 658 . 12 1 1 A 107 107 ASP C C 107 174.000 175.750 -1.750 1
1 659 . 12 1 1 A 107 107 ASP CA C 107 52.200 53.246 -1.046 1
1 660 . 12 1 1 A 107 107 ASP CB C 107 36.800 42.049 -5.249 1
1 661 . 12 1 1 A 107 107 ASP N N 107 114.800 116.067 -1.267 1
1 662 . 12 1 1 A 108 108 LEU H H 108 7.270 7.627 -0.357 1
1 663 . 12 1 1 A 108 108 LEU HA H 108 4.030 3.878 0.152 1
1 673 . 12 1 1 A 108 108 LEU C C 108 173.800 176.798 -2.998 1
1 674 . 12 1 1 A 108 108 LEU CA C 108 52.500 56.885 -4.385 1
1 675 . 12 1 1 A 108 108 LEU CB C 108 40.000 41.455 -1.455 1
1 679 . 12 1 1 A 108 108 LEU N N 108 118.900 119.368 -0.468 1
1 7 . 13 1 1 A 46 46 LEU HA H 46 3.970 4.278 -0.308 1
1 17 . 13 1 1 A 46 46 LEU CA C 46 55.000 56.183 -1.183 1
1 18 . 13 1 1 A 46 46 LEU CB C 46 40.300 42.044 -1.744 1
1 22 . 13 1 1 A 47 47 ILE H H 47 7.570 7.451 0.119 1
1 23 . 13 1 1 A 47 47 ILE HA H 47 4.270 3.896 0.374 1
1 33 . 13 1 1 A 47 47 ILE C C 47 174.500 175.545 -1.045 1
1 34 . 13 1 1 A 47 47 ILE CA C 47 54.600 61.342 -6.742 1
1 35 . 13 1 1 A 47 47 ILE CB C 47 34.500 38.079 -3.579 1
1 39 . 13 1 1 A 47 47 ILE N N 47 115.000 121.938 -6.938 1
1 40 . 13 1 1 A 48 48 LEU H H 48 8.760 8.844 -0.084 1
1 41 . 13 1 1 A 48 48 LEU HA H 48 4.260 4.412 -0.152 1
1 51 . 13 1 1 A 48 48 LEU C C 48 174.400 176.720 -2.320 1
1 52 . 13 1 1 A 48 48 LEU CA C 48 51.200 53.251 -2.051 1
1 53 . 13 1 1 A 48 48 LEU CB C 48 37.800 41.234 -3.434 1
1 57 . 13 1 1 A 48 48 LEU N N 48 127.400 127.905 -0.505 1
1 58 . 13 1 1 A 49 49 PRO HA H 49 4.170 4.451 -0.281 1
1 63 . 13 1 1 A 49 49 PRO CA C 49 62.500 64.321 -1.821 1
1 64 . 13 1 1 A 49 49 PRO CB C 49 28.900 31.649 -2.749 1
1 67 . 13 1 1 A 50 50 ASN H H 50 7.180 7.796 -0.616 1
1 68 . 13 1 1 A 50 50 ASN HA H 50 4.420 4.630 -0.210 1
1 73 . 13 1 1 A 50 50 ASN C C 50 173.700 176.450 -2.750 1
1 74 . 13 1 1 A 50 50 ASN CA C 50 49.500 52.163 -2.663 1
1 75 . 13 1 1 A 50 50 ASN CB C 50 34.400 37.891 -3.491 1
1 76 . 13 1 1 A 50 50 ASN N N 50 111.000 113.151 -2.151 1
1 78 . 13 1 1 A 51 51 GLY H H 51 8.370 8.328 0.042 1
1 79 . 13 1 1 A 51 51 GLY HA2 H 51 4.220 3.860 0.360 1
1 80 . 13 1 1 A 51 51 GLY HA3 H 51 3.400 3.884 -0.484 1
1 81 . 13 1 1 A 51 51 GLY C C 51 171.500 174.009 -2.509 1
1 82 . 13 1 1 A 51 51 GLY CA C 51 42.200 44.941 -2.741 1
1 83 . 13 1 1 A 51 51 GLY N N 51 108.400 109.177 -0.777 1
1 84 . 13 1 1 A 52 52 ASN H H 52 7.810 7.841 -0.031 1
1 85 . 13 1 1 A 52 52 ASN HA H 52 4.670 4.957 -0.287 1
1 90 . 13 1 1 A 52 52 ASN C C 52 170.900 174.800 -3.900 1
1 91 . 13 1 1 A 52 52 ASN CA C 52 49.400 52.745 -3.345 1
1 92 . 13 1 1 A 52 52 ASN CB C 52 36.100 40.201 -4.101 1
1 93 . 13 1 1 A 52 52 ASN N N 52 119.100 119.727 -0.627 1
1 95 . 13 1 1 A 53 53 ILE H H 53 8.070 8.198 -0.128 1
1 96 . 13 1 1 A 53 53 ILE HA H 53 3.470 4.117 -0.647 1
1 106 . 13 1 1 A 53 53 ILE C C 53 172.300 174.525 -2.225 1
1 107 . 13 1 1 A 53 53 ILE CA C 53 59.100 59.607 -0.507 1
1 108 . 13 1 1 A 53 53 ILE CB C 53 36.000 39.431 -3.431 1
1 112 . 13 1 1 A 53 53 ILE N N 53 120.100 122.387 -2.287 1
1 113 . 13 1 1 A 54 54 ASN H H 54 8.700 8.588 0.112 1
1 114 . 13 1 1 A 54 54 ASN HA H 54 4.350 4.616 -0.266 1
1 119 . 13 1 1 A 54 54 ASN C C 54 172.300 175.596 -3.296 1
1 120 . 13 1 1 A 54 54 ASN CA C 54 47.500 52.023 -4.523 1
1 121 . 13 1 1 A 54 54 ASN CB C 54 34.200 37.375 -3.175 1
1 122 . 13 1 1 A 54 54 ASN N N 54 123.200 123.822 -0.622 1
1 124 . 13 1 1 A 55 55 TRP H H 55 7.520 7.692 -0.172 1
1 125 . 13 1 1 A 55 55 TRP HA H 55 4.300 4.588 -0.288 1
1 134 . 13 1 1 A 55 55 TRP C C 55 172.100 177.603 -5.503 1
1 135 . 13 1 1 A 55 55 TRP CA C 55 55.200 59.250 -4.050 1
1 136 . 13 1 1 A 55 55 TRP CB C 55 26.400 28.612 -2.212 1
1 137 . 13 1 1 A 55 55 TRP N N 55 124.600 124.971 -0.371 1
1 138 . 13 1 1 A 56 56 ASN H H 56 7.380 7.872 -0.492 1
1 139 . 13 1 1 A 56 56 ASN HA H 56 4.720 4.871 -0.151 1
1 144 . 13 1 1 A 56 56 ASN C C 56 172.100 175.522 -3.422 1
1 145 . 13 1 1 A 56 56 ASN CA C 56 49.500 52.786 -3.286 1
1 146 . 13 1 1 A 56 56 ASN CB C 56 36.200 39.029 -2.829 1
1 147 . 13 1 1 A 56 56 ASN N N 56 112.500 116.482 -3.982 1
1 149 . 13 1 1 A 57 57 CYS H H 57 7.460 7.429 0.031 1
1 150 . 13 1 1 A 57 57 CYS HA H 57 4.280 4.502 -0.222 1
1 153 . 13 1 1 A 57 57 CYS C C 57 173.000 174.613 -1.613 1
1 154 . 13 1 1 A 57 57 CYS CA C 57 54.900 58.687 -3.787 1
1 155 . 13 1 1 A 57 57 CYS CB C 57 25.000 27.226 -2.226 1
1 156 . 13 1 1 A 57 57 CYS N N 57 123.000 119.162 3.838 1
1 157 . 13 1 1 A 58 58 PRO HA H 58 4.200 4.466 -0.266 1
1 162 . 13 1 1 A 58 58 PRO CA C 58 62.700 63.991 -1.291 1
1 163 . 13 1 1 A 58 58 PRO CB C 58 29.300 31.941 -2.641 1
1 166 . 13 1 1 A 59 59 CYS HA H 59 4.390 4.652 -0.262 1
1 168 . 13 1 1 A 59 59 CYS CA C 59 57.000 60.035 -3.035 1
1 169 . 13 1 1 A 59 59 CYS CB C 59 24.400 29.510 -5.110 1
1 170 . 13 1 1 A 60 60 LEU H H 60 7.500 8.146 -0.646 1
1 171 . 13 1 1 A 60 60 LEU HA H 60 4.180 4.125 0.055 1
1 181 . 13 1 1 A 60 60 LEU C C 60 175.700 178.999 -3.299 1
1 182 . 13 1 1 A 60 60 LEU CA C 60 52.000 58.210 -6.210 1
1 183 . 13 1 1 A 60 60 LEU CB C 60 39.000 41.996 -2.996 1
1 187 . 13 1 1 A 60 60 LEU N N 60 117.700 122.609 -4.909 1
1 188 . 13 1 1 A 61 61 GLY H H 61 7.880 8.746 -0.866 1
1 189 . 13 1 1 A 61 61 GLY HA2 H 61 3.830 3.984 -0.154 1
1 190 . 13 1 1 A 61 61 GLY HA3 H 61 3.680 4.108 -0.428 1
1 191 . 13 1 1 A 61 61 GLY C C 61 172.700 176.412 -3.712 1
1 192 . 13 1 1 A 61 61 GLY CA C 61 44.700 46.925 -2.225 1
1 193 . 13 1 1 A 61 61 GLY N N 61 105.700 106.516 -0.816 1
1 194 . 13 1 1 A 62 62 GLY H H 62 8.580 8.310 0.270 1
1 195 . 13 1 1 A 62 62 GLY HA2 H 62 3.810 3.778 0.032 1
1 196 . 13 1 1 A 62 62 GLY HA3 H 62 3.680 3.779 -0.099 1
1 197 . 13 1 1 A 62 62 GLY C C 62 174.000 175.788 -1.788 1
1 198 . 13 1 1 A 62 62 GLY CA C 62 42.800 47.029 -4.229 1
1 199 . 13 1 1 A 62 62 GLY N N 62 108.500 109.892 -1.392 1
1 200 . 13 1 1 A 63 63 MET H H 63 7.460 8.490 -1.030 1
1 201 . 13 1 1 A 63 63 MET HA H 63 3.870 3.876 -0.006 1
1 206 . 13 1 1 A 63 63 MET C C 63 174.600 177.562 -2.962 1
1 207 . 13 1 1 A 63 63 MET CA C 63 54.400 58.436 -4.036 1
1 208 . 13 1 1 A 63 63 MET CB C 63 27.600 31.797 -4.197 1
1 210 . 13 1 1 A 63 63 MET N N 63 118.500 120.782 -2.282 1
1 211 . 13 1 1 A 64 64 ALA H H 64 8.080 7.367 0.713 1
1 212 . 13 1 1 A 64 64 ALA HA H 64 4.220 4.420 -0.200 1
1 216 . 13 1 1 A 64 64 ALA C C 64 173.800 177.463 -3.663 1
1 217 . 13 1 1 A 64 64 ALA CA C 64 50.400 52.162 -1.762 1
1 218 . 13 1 1 A 64 64 ALA CB C 64 16.500 19.294 -2.794 1
1 219 . 13 1 1 A 64 64 ALA N N 64 117.500 120.594 -3.094 1
1 220 . 13 1 1 A 65 65 SER H H 65 7.460 7.835 -0.375 1
1 221 . 13 1 1 A 65 65 SER HA H 65 4.570 4.586 -0.016 1
1 224 . 13 1 1 A 65 65 SER C C 65 171.500 174.213 -2.713 1
1 225 . 13 1 1 A 65 65 SER CA C 65 54.800 57.614 -2.814 1
1 226 . 13 1 1 A 65 65 SER CB C 65 61.800 64.740 -2.940 1
1 227 . 13 1 1 A 65 65 SER N N 65 111.200 114.424 -3.224 1
1 228 . 13 1 1 A 66 66 GLY H H 66 7.480 8.522 -1.042 1
1 229 . 13 1 1 A 66 66 GLY HA2 H 66 3.980 3.865 0.115 1
1 230 . 13 1 1 A 66 66 GLY HA3 H 66 4.030 3.960 0.070 1
1 231 . 13 1 1 A 66 66 GLY C C 66 170.600 174.042 -3.442 1
1 232 . 13 1 1 A 66 66 GLY CA C 66 42.000 44.535 -2.535 1
1 233 . 13 1 1 A 66 66 GLY N N 66 108.800 110.110 -1.310 1
1 234 . 13 1 1 A 67 67 PRO HA H 67 4.210 4.254 -0.044 1
1 241 . 13 1 1 A 67 67 PRO CA C 67 62.000 65.079 -3.079 1
1 242 . 13 1 1 A 67 67 PRO CB C 67 28.900 31.457 -2.557 1
1 245 . 13 1 1 A 68 68 CYS H H 68 7.700 7.814 -0.114 1
1 246 . 13 1 1 A 68 68 CYS HA H 68 5.450 4.472 0.978 1
1 249 . 13 1 1 A 68 68 CYS C C 68 173.500 175.330 -1.830 1
1 250 . 13 1 1 A 68 68 CYS CA C 68 49.500 58.086 -8.586 1
1 251 . 13 1 1 A 68 68 CYS CB C 68 36.200 42.384 -6.184 1
1 252 . 13 1 1 A 68 68 CYS N N 68 115.300 114.243 1.057 1
1 253 . 13 1 1 A 69 69 GLY H H 69 7.840 8.260 -0.420 1
1 254 . 13 1 1 A 69 69 GLY HA2 H 69 3.950 3.751 0.199 1
1 255 . 13 1 1 A 69 69 GLY HA3 H 69 3.550 3.810 -0.260 1
1 256 . 13 1 1 A 69 69 GLY C C 69 173.300 176.008 -2.708 1
1 257 . 13 1 1 A 69 69 GLY CA C 69 45.200 47.337 -2.137 1
1 258 . 13 1 1 A 69 69 GLY N N 69 110.200 109.789 0.411 1
1 259 . 13 1 1 A 70 70 GLU H H 70 8.650 8.755 -0.105 1
1 260 . 13 1 1 A 70 70 GLU HA H 70 3.760 3.919 -0.159 1
1 265 . 13 1 1 A 70 70 GLU C C 70 176.800 178.550 -1.750 1
1 266 . 13 1 1 A 70 70 GLU CA C 70 56.300 58.890 -2.590 1
1 267 . 13 1 1 A 70 70 GLU CB C 70 26.000 28.752 -2.752 1
1 269 . 13 1 1 A 70 70 GLU N N 70 120.000 121.250 -1.250 1
1 270 . 13 1 1 A 71 71 GLN H H 71 8.860 7.683 1.177 1
1 271 . 13 1 1 A 71 71 GLN HA H 71 3.850 4.037 -0.187 1
1 278 . 13 1 1 A 71 71 GLN C C 71 177.400 178.377 -0.977 1
1 279 . 13 1 1 A 71 71 GLN CA C 71 57.200 58.457 -1.257 1
1 280 . 13 1 1 A 71 71 GLN CB C 71 24.400 28.589 -4.189 1
1 282 . 13 1 1 A 71 71 GLN N N 71 120.800 119.020 1.780 1
1 284 . 13 1 1 A 72 72 PHE H H 72 8.890 7.859 1.031 1
1 285 . 13 1 1 A 72 72 PHE HA H 72 4.200 3.954 0.246 1
1 291 . 13 1 1 A 72 72 PHE C C 72 173.500 177.544 -4.044 1
1 292 . 13 1 1 A 72 72 PHE CA C 72 59.000 61.285 -2.285 1
1 293 . 13 1 1 A 72 72 PHE CB C 72 36.000 39.237 -3.237 1
1 294 . 13 1 1 A 72 72 PHE N N 72 123.400 120.543 2.857 1
1 295 . 13 1 1 A 73 73 LYS H H 73 8.480 8.175 0.305 1
1 296 . 13 1 1 A 73 73 LYS HA H 73 3.430 3.382 0.048 1
1 304 . 13 1 1 A 73 73 LYS C C 73 177.600 179.056 -1.456 1
1 305 . 13 1 1 A 73 73 LYS CA C 73 56.700 59.167 -2.467 1
1 306 . 13 1 1 A 73 73 LYS CB C 73 29.600 31.759 -2.159 1
1 310 . 13 1 1 A 73 73 LYS N N 73 119.900 118.069 1.831 1
1 311 . 13 1 1 A 74 74 SER H H 74 7.780 7.640 0.140 1
1 312 . 13 1 1 A 74 74 SER HA H 74 4.120 4.339 -0.219 1
1 315 . 13 1 1 A 74 74 SER C C 74 174.300 177.171 -2.871 1
1 316 . 13 1 1 A 74 74 SER CA C 74 58.700 61.269 -2.569 1
1 317 . 13 1 1 A 74 74 SER CB C 74 59.900 62.471 -2.571 1
1 318 . 13 1 1 A 74 74 SER N N 74 114.200 114.749 -0.549 1
1 319 . 13 1 1 A 75 75 ALA H H 75 7.870 8.399 -0.529 1
1 320 . 13 1 1 A 75 75 ALA HA H 75 3.840 3.829 0.011 1
1 324 . 13 1 1 A 75 75 ALA C C 75 175.100 179.868 -4.768 1
1 325 . 13 1 1 A 75 75 ALA CA C 75 53.200 55.015 -1.815 1
1 326 . 13 1 1 A 75 75 ALA CB C 75 15.500 17.891 -2.391 1
1 327 . 13 1 1 A 75 75 ALA N N 75 123.100 122.355 0.745 1
1 328 . 13 1 1 A 76 76 PHE H H 76 9.450 7.789 1.661 1
1 329 . 13 1 1 A 76 76 PHE HA H 76 3.700 4.405 -0.705 1
1 334 . 13 1 1 A 76 76 PHE C C 76 174.600 177.747 -3.147 1
1 335 . 13 1 1 A 76 76 PHE CA C 76 59.600 60.745 -1.145 1
1 336 . 13 1 1 A 76 76 PHE CB C 76 35.800 39.149 -3.349 1
1 337 . 13 1 1 A 76 76 PHE N N 76 118.800 119.639 -0.839 1
1 338 . 13 1 1 A 77 77 SER H H 77 8.550 8.821 -0.271 1
1 339 . 13 1 1 A 77 77 SER HA H 77 4.130 4.293 -0.163 1
1 341 . 13 1 1 A 77 77 SER C C 77 172.200 176.906 -4.706 1
1 342 . 13 1 1 A 77 77 SER CA C 77 60.100 61.654 -1.554 1
1 343 . 13 1 1 A 77 77 SER CB C 77 59.800 62.261 -2.461 1
1 344 . 13 1 1 A 77 77 SER N N 77 113.200 113.680 -0.480 1
1 345 . 13 1 1 A 78 78 CYS H H 78 7.430 8.484 -1.054 1
1 346 . 13 1 1 A 78 78 CYS HA H 78 4.080 4.087 -0.007 1
1 349 . 13 1 1 A 78 78 CYS C C 78 174.000 176.057 -2.057 1
1 350 . 13 1 1 A 78 78 CYS CA C 78 57.900 60.426 -2.526 1
1 351 . 13 1 1 A 78 78 CYS CB C 78 36.400 40.193 -3.793 1
1 352 . 13 1 1 A 78 78 CYS N N 78 118.900 119.756 -0.856 1
1 353 . 13 1 1 A 79 79 PHE H H 79 8.270 8.321 -0.051 1
1 354 . 13 1 1 A 79 79 PHE HA H 79 3.740 4.330 -0.590 1
1 359 . 13 1 1 A 79 79 PHE C C 79 173.600 177.485 -3.885 1
1 360 . 13 1 1 A 79 79 PHE CA C 79 59.200 61.569 -2.369 1
1 361 . 13 1 1 A 79 79 PHE CB C 79 37.000 39.391 -2.391 1
1 362 . 13 1 1 A 79 79 PHE N N 79 120.400 121.970 -1.570 1
1 363 . 13 1 1 A 80 80 HIS H H 80 8.840 8.155 0.685 1
1 364 . 13 1 1 A 80 80 HIS HA H 80 3.460 3.962 -0.502 1
1 368 . 13 1 1 A 80 80 HIS C C 80 175.700 176.384 -0.684 1
1 369 . 13 1 1 A 80 80 HIS CA C 80 57.000 59.778 -2.778 1
1 370 . 13 1 1 A 80 80 HIS CB C 80 28.300 30.107 -1.807 1
1 371 . 13 1 1 A 80 80 HIS N N 80 118.400 118.491 -0.091 1
1 372 . 13 1 1 A 81 81 TYR H H 81 7.710 8.716 -1.006 1
1 373 . 13 1 1 A 81 81 TYR HA H 81 4.080 3.991 0.089 1
1 378 . 13 1 1 A 81 81 TYR C C 81 172.400 177.773 -5.373 1
1 379 . 13 1 1 A 81 81 TYR CA C 81 56.100 61.720 -5.620 1
1 380 . 13 1 1 A 81 81 TYR CB C 81 34.800 37.241 -2.441 1
1 381 . 13 1 1 A 81 81 TYR N N 81 113.400 116.674 -3.274 1
1 382 . 13 1 1 A 82 82 SER H H 82 7.070 7.868 -0.798 1
1 383 . 13 1 1 A 82 82 SER HA H 82 4.410 4.335 0.075 1
1 386 . 13 1 1 A 82 82 SER C C 82 174.500 174.393 0.107 1
1 387 . 13 1 1 A 82 82 SER CA C 82 56.300 60.270 -3.970 1
1 388 . 13 1 1 A 82 82 SER CB C 82 59.200 63.714 -4.514 1
1 389 . 13 1 1 A 82 82 SER N N 82 115.600 116.036 -0.436 1
1 390 . 13 1 1 A 83 83 THR H H 83 9.290 7.965 1.325 1
1 391 . 13 1 1 A 83 83 THR HA H 83 4.400 3.862 0.538 1
1 396 . 13 1 1 A 83 83 THR C C 83 172.200 173.272 -1.072 1
1 397 . 13 1 1 A 83 83 THR CA C 83 57.500 62.734 -5.234 1
1 398 . 13 1 1 A 83 83 THR CB C 83 65.800 66.356 -0.556 1
1 400 . 13 1 1 A 83 83 THR N N 83 120.400 114.699 5.701 1
1 401 . 13 1 1 A 84 84 GLU H H 84 7.170 7.715 -0.545 1
1 402 . 13 1 1 A 84 84 GLU HA H 84 3.860 4.726 -0.866 1
1 406 . 13 1 1 A 84 84 GLU C C 84 173.300 175.922 -2.622 1
1 407 . 13 1 1 A 84 84 GLU CA C 84 53.100 55.743 -2.643 1
1 408 . 13 1 1 A 84 84 GLU CB C 84 28.400 30.863 -2.463 1
1 410 . 13 1 1 A 84 84 GLU N N 84 121.600 120.825 0.775 1
1 411 . 13 1 1 A 85 85 GLU H H 85 8.390 8.348 0.042 1
1 412 . 13 1 1 A 85 85 GLU HA H 85 3.730 4.652 -0.922 1
1 417 . 13 1 1 A 85 85 GLU C C 85 175.500 175.978 -0.478 1
1 418 . 13 1 1 A 85 85 GLU CA C 85 56.700 57.444 -0.744 1
1 419 . 13 1 1 A 85 85 GLU CB C 85 26.900 32.421 -5.521 1
1 421 . 13 1 1 A 85 85 GLU N N 85 121.800 121.009 0.791 1
1 422 . 13 1 1 A 86 86 ILE H H 86 8.060 8.289 -0.229 1
1 423 . 13 1 1 A 86 86 ILE HA H 86 4.060 4.213 -0.153 1
1 433 . 13 1 1 A 86 86 ILE C C 86 172.400 175.525 -3.125 1
1 434 . 13 1 1 A 86 86 ILE CA C 86 56.800 60.999 -4.199 1
1 435 . 13 1 1 A 86 86 ILE CB C 86 32.700 39.128 -6.428 1
1 439 . 13 1 1 A 86 86 ILE N N 86 117.800 120.408 -2.608 1
1 440 . 13 1 1 A 87 87 LYS H H 87 8.200 8.418 -0.218 1
1 441 . 13 1 1 A 87 87 LYS HA H 87 3.470 2.317 1.153 1
1 450 . 13 1 1 A 87 87 LYS C C 87 175.200 176.814 -1.614 1
1 451 . 13 1 1 A 87 87 LYS CA C 87 56.800 57.325 -0.525 1
1 452 . 13 1 1 A 87 87 LYS CB C 87 30.300 31.567 -1.267 1
1 456 . 13 1 1 A 87 87 LYS N N 87 130.300 126.126 4.174 1
1 457 . 13 1 1 A 88 88 GLY H H 88 8.820 8.223 0.597 1
1 458 . 13 1 1 A 88 88 GLY HA2 H 88 4.440 3.653 0.787 1
1 459 . 13 1 1 A 88 88 GLY HA3 H 88 3.560 4.246 -0.686 1
1 460 . 13 1 1 A 88 88 GLY C C 88 172.800 175.384 -2.584 1
1 461 . 13 1 1 A 88 88 GLY CA C 88 42.800 45.624 -2.824 1
1 462 . 13 1 1 A 88 88 GLY N N 88 110.400 114.611 -4.211 1
1 463 . 13 1 1 A 89 89 SER H H 89 8.570 8.459 0.111 1
1 464 . 13 1 1 A 89 89 SER HA H 89 4.040 4.261 -0.221 1
1 467 . 13 1 1 A 89 89 SER C C 89 171.300 174.545 -3.245 1
1 468 . 13 1 1 A 89 89 SER CA C 89 58.200 61.229 -3.029 1
1 469 . 13 1 1 A 89 89 SER CB C 89 59.200 63.058 -3.858 1
1 470 . 13 1 1 A 89 89 SER N N 89 118.000 115.397 2.603 1
1 471 . 13 1 1 A 90 90 ASP H H 90 10.480 8.352 2.128 1
1 472 . 13 1 1 A 90 90 ASP HA H 90 4.580 4.901 -0.321 1
1 475 . 13 1 1 A 90 90 ASP C C 90 173.500 176.674 -3.174 1
1 476 . 13 1 1 A 90 90 ASP CA C 90 50.500 52.996 -2.496 1
1 477 . 13 1 1 A 90 90 ASP CB C 90 34.900 41.689 -6.789 1
1 478 . 13 1 1 A 90 90 ASP N N 90 116.400 120.512 -4.112 1
1 479 . 13 1 1 A 91 91 CYS H H 91 7.420 8.121 -0.701 1
1 480 . 13 1 1 A 91 91 CYS HA H 91 5.180 5.001 0.179 1
1 483 . 13 1 1 A 91 91 CYS C C 91 172.800 174.334 -1.534 1
1 484 . 13 1 1 A 91 91 CYS CA C 91 50.600 55.931 -5.331 1
1 485 . 13 1 1 A 91 91 CYS CB C 91 38.000 44.157 -6.157 1
1 486 . 13 1 1 A 91 91 CYS N N 91 117.300 119.803 -2.503 1
1 487 . 13 1 1 A 92 92 VAL H H 92 7.320 7.726 -0.406 1
1 488 . 13 1 1 A 92 92 VAL HA H 92 3.470 3.783 -0.313 1
1 496 . 13 1 1 A 92 92 VAL C C 92 175.700 177.520 -1.820 1
1 497 . 13 1 1 A 92 92 VAL CA C 92 64.000 66.707 -2.707 1
1 498 . 13 1 1 A 92 92 VAL CB C 92 29.300 31.518 -2.218 1
1 501 . 13 1 1 A 92 92 VAL N N 92 120.500 121.488 -0.988 1
1 502 . 13 1 1 A 93 93 ASP H H 93 8.870 8.374 0.496 1
1 503 . 13 1 1 A 93 93 ASP HA H 93 4.280 4.327 -0.047 1
1 505 . 13 1 1 A 93 93 ASP C C 93 176.500 178.523 -2.023 1
1 506 . 13 1 1 A 93 93 ASP CA C 93 55.100 57.532 -2.432 1
1 507 . 13 1 1 A 93 93 ASP CB C 93 36.800 41.131 -4.331 1
1 508 . 13 1 1 A 93 93 ASP N N 93 120.500 120.737 -0.237 1
1 509 . 13 1 1 A 94 94 GLN H H 94 9.140 7.867 1.273 1
1 510 . 13 1 1 A 94 94 GLN HA H 94 3.920 4.147 -0.227 1
1 517 . 13 1 1 A 94 94 GLN C C 94 178.100 178.828 -0.728 1
1 518 . 13 1 1 A 94 94 GLN CA C 94 57.100 58.145 -1.045 1
1 519 . 13 1 1 A 94 94 GLN CB C 94 24.500 28.502 -4.002 1
1 521 . 13 1 1 A 94 94 GLN N N 94 121.800 117.381 4.419 1
1 523 . 13 1 1 A 95 95 PHE H H 95 8.920 7.594 1.326 1
1 524 . 13 1 1 A 95 95 PHE HA H 95 4.130 4.268 -0.138 1
1 529 . 13 1 1 A 95 95 PHE C C 95 175.100 178.332 -3.232 1
1 530 . 13 1 1 A 95 95 PHE CA C 95 57.500 60.775 -3.275 1
1 531 . 13 1 1 A 95 95 PHE CB C 95 34.500 38.612 -4.112 1
1 532 . 13 1 1 A 95 95 PHE N N 95 122.500 119.077 3.423 1
1 533 . 13 1 1 A 96 96 ARG H H 96 8.500 8.743 -0.243 1
1 534 . 13 1 1 A 96 96 ARG HA H 96 4.040 3.948 0.092 1
1 540 . 13 1 1 A 96 96 ARG C C 96 175.700 178.318 -2.618 1
1 541 . 13 1 1 A 96 96 ARG CA C 96 56.800 59.868 -3.068 1
1 542 . 13 1 1 A 96 96 ARG CB C 96 26.800 29.742 -2.942 1
1 545 . 13 1 1 A 96 96 ARG N N 96 121.600 121.096 0.504 1
1 546 . 13 1 1 A 97 97 ALA H H 97 7.960 8.440 -0.480 1
1 547 . 13 1 1 A 97 97 ALA HA H 97 4.110 4.098 0.012 1
1 551 . 13 1 1 A 97 97 ALA C C 97 178.600 179.679 -1.079 1
1 552 . 13 1 1 A 97 97 ALA CA C 97 52.100 55.301 -3.201 1
1 553 . 13 1 1 A 97 97 ALA CB C 97 15.200 17.841 -2.641 1
1 554 . 13 1 1 A 97 97 ALA N N 97 120.300 120.791 -0.491 1
1 555 . 13 1 1 A 98 98 MET H H 98 7.600 8.515 -0.915 1
1 556 . 13 1 1 A 98 98 MET HA H 98 3.830 4.065 -0.235 1
1 559 . 13 1 1 A 98 98 MET C C 98 173.900 178.020 -4.120 1
1 560 . 13 1 1 A 98 98 MET CA C 98 56.400 58.273 -1.873 1
1 561 . 13 1 1 A 98 98 MET CB C 98 30.100 32.155 -2.055 1
1 563 . 13 1 1 A 98 98 MET N N 98 118.400 118.720 -0.320 1
1 564 . 13 1 1 A 99 99 GLN H H 99 8.410 8.233 0.177 1
1 565 . 13 1 1 A 99 99 GLN HA H 99 3.800 4.084 -0.284 1
1 569 . 13 1 1 A 99 99 GLN C C 99 173.400 178.540 -5.140 1
1 570 . 13 1 1 A 99 99 GLN CA C 99 56.800 58.882 -2.082 1
1 571 . 13 1 1 A 99 99 GLN CB C 99 25.900 28.335 -2.435 1
1 573 . 13 1 1 A 99 99 GLN N N 99 120.800 118.019 2.781 1
1 574 . 13 1 1 A 100 100 GLU H H 100 8.510 8.727 -0.217 1
1 575 . 13 1 1 A 100 100 GLU HA H 100 3.820 3.984 -0.164 1
1 580 . 13 1 1 A 100 100 GLU C C 100 175.900 178.683 -2.783 1
1 581 . 13 1 1 A 100 100 GLU CA C 100 56.500 59.504 -3.004 1
1 582 . 13 1 1 A 100 100 GLU CB C 100 26.900 28.817 -1.917 1
1 584 . 13 1 1 A 100 100 GLU N N 100 117.600 117.858 -0.258 1
1 585 . 13 1 1 A 101 101 CYS H H 101 7.310 7.968 -0.658 1
1 586 . 13 1 1 A 101 101 CYS HA H 101 4.230 4.177 0.053 1
1 589 . 13 1 1 A 101 101 CYS C C 101 173.800 176.731 -2.931 1
1 590 . 13 1 1 A 101 101 CYS CA C 101 57.800 59.499 -1.699 1
1 591 . 13 1 1 A 101 101 CYS CB C 101 36.500 41.884 -5.384 1
1 592 . 13 1 1 A 101 101 CYS N N 101 117.800 118.776 -0.976 1
1 593 . 13 1 1 A 102 102 MET H H 102 8.400 8.143 0.257 1
1 594 . 13 1 1 A 102 102 MET HA H 102 3.820 4.523 -0.703 1
1 599 . 13 1 1 A 102 102 MET C C 102 177.100 177.539 -0.439 1
1 600 . 13 1 1 A 102 102 MET CA C 102 57.100 57.147 -0.047 1
1 601 . 13 1 1 A 102 102 MET CB C 102 30.200 31.582 -1.382 1
1 603 . 13 1 1 A 102 102 MET N N 102 119.100 119.339 -0.239 1
1 604 . 13 1 1 A 103 103 GLN H H 103 7.850 8.358 -0.508 1
1 605 . 13 1 1 A 103 103 GLN HA H 103 3.960 4.148 -0.188 1
1 612 . 13 1 1 A 103 103 GLN C C 103 174.000 177.252 -3.252 1
1 613 . 13 1 1 A 103 103 GLN CA C 103 55.000 57.557 -2.557 1
1 614 . 13 1 1 A 103 103 GLN CB C 103 25.900 27.349 -1.449 1
1 616 . 13 1 1 A 103 103 GLN N N 103 117.200 117.502 -0.302 1
1 618 . 13 1 1 A 104 104 LYS H H 104 7.470 7.561 -0.091 1
1 619 . 13 1 1 A 104 104 LYS HA H 104 3.880 4.046 -0.166 1
1 626 . 13 1 1 A 104 104 LYS C C 104 173.200 175.776 -2.576 1
1 627 . 13 1 1 A 104 104 LYS CA C 104 54.600 57.590 -2.990 1
1 628 . 13 1 1 A 104 104 LYS CB C 104 29.600 33.129 -3.529 1
1 632 . 13 1 1 A 104 104 LYS N N 104 116.700 117.542 -0.842 1
1 633 . 13 1 1 A 105 105 TYR H H 105 7.390 7.385 0.005 1
1 634 . 13 1 1 A 105 105 TYR HA H 105 5.040 4.996 0.044 1
1 639 . 13 1 1 A 105 105 TYR C C 105 170.800 174.542 -3.742 1
1 640 . 13 1 1 A 105 105 TYR CA C 105 52.300 54.928 -2.628 1
1 641 . 13 1 1 A 105 105 TYR CB C 105 36.700 39.673 -2.973 1
1 642 . 13 1 1 A 105 105 TYR N N 105 115.700 118.058 -2.358 1
1 643 . 13 1 1 A 106 106 PRO HA H 106 4.470 4.533 -0.063 1
1 650 . 13 1 1 A 106 106 PRO CA C 106 61.800 64.784 -2.984 1
1 651 . 13 1 1 A 106 106 PRO CB C 106 29.000 32.138 -3.138 1
1 654 . 13 1 1 A 107 107 ASP H H 107 8.750 7.782 0.968 1
1 655 . 13 1 1 A 107 107 ASP HA H 107 4.310 4.100 0.210 1
1 658 . 13 1 1 A 107 107 ASP C C 107 174.000 175.261 -1.261 1
1 659 . 13 1 1 A 107 107 ASP CA C 107 52.200 52.950 -0.750 1
1 660 . 13 1 1 A 107 107 ASP CB C 107 36.800 41.828 -5.028 1
1 661 . 13 1 1 A 107 107 ASP N N 107 114.800 115.780 -0.980 1
1 662 . 13 1 1 A 108 108 LEU H H 108 7.270 7.600 -0.330 1
1 663 . 13 1 1 A 108 108 LEU HA H 108 4.030 3.872 0.158 1
1 673 . 13 1 1 A 108 108 LEU C C 108 173.800 177.043 -3.243 1
1 674 . 13 1 1 A 108 108 LEU CA C 108 52.500 56.834 -4.334 1
1 675 . 13 1 1 A 108 108 LEU CB C 108 40.000 41.589 -1.589 1
1 679 . 13 1 1 A 108 108 LEU N N 108 118.900 119.330 -0.430 1
1 7 . 14 1 1 A 46 46 LEU HA H 46 3.970 4.125 -0.155 1
1 17 . 14 1 1 A 46 46 LEU CA C 46 55.000 57.234 -2.234 1
1 18 . 14 1 1 A 46 46 LEU CB C 46 40.300 41.872 -1.572 1
1 22 . 14 1 1 A 47 47 ILE H H 47 7.570 7.633 -0.063 1
1 23 . 14 1 1 A 47 47 ILE HA H 47 4.270 4.193 0.077 1
1 33 . 14 1 1 A 47 47 ILE C C 47 174.500 175.662 -1.162 1
1 34 . 14 1 1 A 47 47 ILE CA C 47 54.600 59.965 -5.365 1
1 35 . 14 1 1 A 47 47 ILE CB C 47 34.500 38.987 -4.487 1
1 39 . 14 1 1 A 47 47 ILE N N 47 115.000 121.421 -6.421 1
1 40 . 14 1 1 A 48 48 LEU H H 48 8.760 8.894 -0.134 1
1 41 . 14 1 1 A 48 48 LEU HA H 48 4.260 4.438 -0.178 1
1 51 . 14 1 1 A 48 48 LEU C C 48 174.400 176.906 -2.506 1
1 52 . 14 1 1 A 48 48 LEU CA C 48 51.200 53.346 -2.146 1
1 53 . 14 1 1 A 48 48 LEU CB C 48 37.800 41.225 -3.425 1
1 57 . 14 1 1 A 48 48 LEU N N 48 127.400 127.694 -0.294 1
1 58 . 14 1 1 A 49 49 PRO HA H 49 4.170 4.546 -0.376 1
1 63 . 14 1 1 A 49 49 PRO CA C 49 62.500 64.331 -1.831 1
1 64 . 14 1 1 A 49 49 PRO CB C 49 28.900 31.450 -2.550 1
1 67 . 14 1 1 A 50 50 ASN H H 50 7.180 7.823 -0.643 1
1 68 . 14 1 1 A 50 50 ASN HA H 50 4.420 4.665 -0.245 1
1 73 . 14 1 1 A 50 50 ASN C C 50 173.700 176.373 -2.673 1
1 74 . 14 1 1 A 50 50 ASN CA C 50 49.500 52.215 -2.715 1
1 75 . 14 1 1 A 50 50 ASN CB C 50 34.400 38.122 -3.722 1
1 76 . 14 1 1 A 50 50 ASN N N 50 111.000 113.483 -2.483 1
1 78 . 14 1 1 A 51 51 GLY H H 51 8.370 8.126 0.244 1
1 79 . 14 1 1 A 51 51 GLY HA2 H 51 4.220 3.905 0.315 1
1 80 . 14 1 1 A 51 51 GLY HA3 H 51 3.400 3.931 -0.531 1
1 81 . 14 1 1 A 51 51 GLY C C 51 171.500 174.118 -2.618 1
1 82 . 14 1 1 A 51 51 GLY CA C 51 42.200 44.968 -2.768 1
1 83 . 14 1 1 A 51 51 GLY N N 51 108.400 108.957 -0.557 1
1 84 . 14 1 1 A 52 52 ASN H H 52 7.810 8.221 -0.411 1
1 85 . 14 1 1 A 52 52 ASN HA H 52 4.670 5.061 -0.391 1
1 90 . 14 1 1 A 52 52 ASN C C 52 170.900 175.020 -4.120 1
1 91 . 14 1 1 A 52 52 ASN CA C 52 49.400 52.861 -3.461 1
1 92 . 14 1 1 A 52 52 ASN CB C 52 36.100 40.216 -4.116 1
1 93 . 14 1 1 A 52 52 ASN N N 52 119.100 119.839 -0.739 1
1 95 . 14 1 1 A 53 53 ILE H H 53 8.070 8.393 -0.323 1
1 96 . 14 1 1 A 53 53 ILE HA H 53 3.470 4.283 -0.813 1
1 106 . 14 1 1 A 53 53 ILE C C 53 172.300 174.761 -2.461 1
1 107 . 14 1 1 A 53 53 ILE CA C 53 59.100 59.667 -0.567 1
1 108 . 14 1 1 A 53 53 ILE CB C 53 36.000 38.958 -2.958 1
1 112 . 14 1 1 A 53 53 ILE N N 53 120.100 122.899 -2.799 1
1 113 . 14 1 1 A 54 54 ASN H H 54 8.700 8.685 0.015 1
1 114 . 14 1 1 A 54 54 ASN HA H 54 4.350 4.689 -0.339 1
1 119 . 14 1 1 A 54 54 ASN C C 54 172.300 175.588 -3.288 1
1 120 . 14 1 1 A 54 54 ASN CA C 54 47.500 51.806 -4.306 1
1 121 . 14 1 1 A 54 54 ASN CB C 54 34.200 37.108 -2.908 1
1 122 . 14 1 1 A 54 54 ASN N N 54 123.200 124.103 -0.903 1
1 124 . 14 1 1 A 55 55 TRP H H 55 7.520 7.837 -0.317 1
1 125 . 14 1 1 A 55 55 TRP HA H 55 4.300 4.635 -0.335 1
1 134 . 14 1 1 A 55 55 TRP C C 55 172.100 177.385 -5.285 1
1 135 . 14 1 1 A 55 55 TRP CA C 55 55.200 58.981 -3.781 1
1 136 . 14 1 1 A 55 55 TRP CB C 55 26.400 28.315 -1.915 1
1 137 . 14 1 1 A 55 55 TRP N N 55 124.600 124.823 -0.223 1
1 138 . 14 1 1 A 56 56 ASN H H 56 7.380 8.074 -0.694 1
1 139 . 14 1 1 A 56 56 ASN HA H 56 4.720 4.832 -0.112 1
1 144 . 14 1 1 A 56 56 ASN C C 56 172.100 175.492 -3.392 1
1 145 . 14 1 1 A 56 56 ASN CA C 56 49.500 53.567 -4.067 1
1 146 . 14 1 1 A 56 56 ASN CB C 56 36.200 39.526 -3.326 1
1 147 . 14 1 1 A 56 56 ASN N N 56 112.500 115.455 -2.955 1
1 149 . 14 1 1 A 57 57 CYS H H 57 7.460 7.381 0.079 1
1 150 . 14 1 1 A 57 57 CYS HA H 57 4.280 4.461 -0.181 1
1 153 . 14 1 1 A 57 57 CYS C C 57 173.000 174.838 -1.838 1
1 154 . 14 1 1 A 57 57 CYS CA C 57 54.900 58.514 -3.614 1
1 155 . 14 1 1 A 57 57 CYS CB C 57 25.000 27.108 -2.108 1
1 156 . 14 1 1 A 57 57 CYS N N 57 123.000 119.244 3.756 1
1 157 . 14 1 1 A 58 58 PRO HA H 58 4.200 4.327 -0.127 1
1 162 . 14 1 1 A 58 58 PRO CA C 58 62.700 65.022 -2.322 1
1 163 . 14 1 1 A 58 58 PRO CB C 58 29.300 32.090 -2.790 1
1 166 . 14 1 1 A 59 59 CYS HA H 59 4.390 4.175 0.215 1
1 168 . 14 1 1 A 59 59 CYS CA C 59 57.000 62.187 -5.187 1
1 169 . 14 1 1 A 59 59 CYS CB C 59 24.400 27.601 -3.201 1
1 170 . 14 1 1 A 60 60 LEU H H 60 7.500 8.002 -0.502 1
1 171 . 14 1 1 A 60 60 LEU HA H 60 4.180 4.098 0.082 1
1 181 . 14 1 1 A 60 60 LEU C C 60 175.700 179.112 -3.412 1
1 182 . 14 1 1 A 60 60 LEU CA C 60 52.000 57.850 -5.850 1
1 183 . 14 1 1 A 60 60 LEU CB C 60 39.000 41.780 -2.780 1
1 187 . 14 1 1 A 60 60 LEU N N 60 117.700 122.344 -4.644 1
1 188 . 14 1 1 A 61 61 GLY H H 61 7.880 8.372 -0.492 1
1 189 . 14 1 1 A 61 61 GLY HA2 H 61 3.830 3.900 -0.070 1
1 190 . 14 1 1 A 61 61 GLY HA3 H 61 3.680 4.074 -0.394 1
1 191 . 14 1 1 A 61 61 GLY C C 61 172.700 176.044 -3.344 1
1 192 . 14 1 1 A 61 61 GLY CA C 61 44.700 47.473 -2.773 1
1 193 . 14 1 1 A 61 61 GLY N N 61 105.700 106.722 -1.022 1
1 194 . 14 1 1 A 62 62 GLY H H 62 8.580 8.061 0.519 1
1 195 . 14 1 1 A 62 62 GLY HA2 H 62 3.810 3.844 -0.034 1
1 196 . 14 1 1 A 62 62 GLY HA3 H 62 3.680 3.846 -0.166 1
1 197 . 14 1 1 A 62 62 GLY C C 62 174.000 175.813 -1.813 1
1 198 . 14 1 1 A 62 62 GLY CA C 62 42.800 47.032 -4.232 1
1 199 . 14 1 1 A 62 62 GLY N N 62 108.500 109.887 -1.387 1
1 200 . 14 1 1 A 63 63 MET H H 63 7.460 8.581 -1.121 1
1 201 . 14 1 1 A 63 63 MET HA H 63 3.870 3.835 0.035 1
1 206 . 14 1 1 A 63 63 MET C C 63 174.600 177.128 -2.528 1
1 207 . 14 1 1 A 63 63 MET CA C 63 54.400 58.019 -3.619 1
1 208 . 14 1 1 A 63 63 MET CB C 63 27.600 31.791 -4.191 1
1 210 . 14 1 1 A 63 63 MET N N 63 118.500 120.573 -2.073 1
1 211 . 14 1 1 A 64 64 ALA H H 64 8.080 7.510 0.570 1
1 212 . 14 1 1 A 64 64 ALA HA H 64 4.220 4.389 -0.169 1
1 216 . 14 1 1 A 64 64 ALA C C 64 173.800 177.054 -3.254 1
1 217 . 14 1 1 A 64 64 ALA CA C 64 50.400 51.813 -1.413 1
1 218 . 14 1 1 A 64 64 ALA CB C 64 16.500 19.284 -2.784 1
1 219 . 14 1 1 A 64 64 ALA N N 64 117.500 120.239 -2.739 1
1 220 . 14 1 1 A 65 65 SER H H 65 7.460 7.635 -0.175 1
1 221 . 14 1 1 A 65 65 SER HA H 65 4.570 4.341 0.229 1
1 224 . 14 1 1 A 65 65 SER C C 65 171.500 174.519 -3.019 1
1 225 . 14 1 1 A 65 65 SER CA C 65 54.800 58.379 -3.579 1
1 226 . 14 1 1 A 65 65 SER CB C 65 61.800 64.497 -2.697 1
1 227 . 14 1 1 A 65 65 SER N N 65 111.200 114.906 -3.706 1
1 228 . 14 1 1 A 66 66 GLY H H 66 7.480 8.764 -1.284 1
1 229 . 14 1 1 A 66 66 GLY HA2 H 66 3.980 3.962 0.018 1
1 230 . 14 1 1 A 66 66 GLY HA3 H 66 4.030 4.064 -0.034 1
1 231 . 14 1 1 A 66 66 GLY C C 66 170.600 174.376 -3.776 1
1 232 . 14 1 1 A 66 66 GLY CA C 66 42.000 44.791 -2.791 1
1 233 . 14 1 1 A 66 66 GLY N N 66 108.800 111.755 -2.955 1
1 234 . 14 1 1 A 67 67 PRO HA H 67 4.210 4.267 -0.057 1
1 241 . 14 1 1 A 67 67 PRO CA C 67 62.000 65.331 -3.331 1
1 242 . 14 1 1 A 67 67 PRO CB C 67 28.900 31.212 -2.312 1
1 245 . 14 1 1 A 68 68 CYS H H 68 7.700 7.924 -0.224 1
1 246 . 14 1 1 A 68 68 CYS HA H 68 5.450 4.356 1.094 1
1 249 . 14 1 1 A 68 68 CYS C C 68 173.500 176.549 -3.049 1
1 250 . 14 1 1 A 68 68 CYS CA C 68 49.500 59.130 -9.630 1
1 251 . 14 1 1 A 68 68 CYS CB C 68 36.200 41.501 -5.301 1
1 252 . 14 1 1 A 68 68 CYS N N 68 115.300 114.731 0.569 1
1 253 . 14 1 1 A 69 69 GLY H H 69 7.840 8.365 -0.525 1
1 254 . 14 1 1 A 69 69 GLY HA2 H 69 3.950 3.773 0.177 1
1 255 . 14 1 1 A 69 69 GLY HA3 H 69 3.550 3.841 -0.291 1
1 256 . 14 1 1 A 69 69 GLY C C 69 173.300 176.204 -2.904 1
1 257 . 14 1 1 A 69 69 GLY CA C 69 45.200 47.015 -1.815 1
1 258 . 14 1 1 A 69 69 GLY N N 69 110.200 109.469 0.731 1
1 259 . 14 1 1 A 70 70 GLU H H 70 8.650 8.397 0.253 1
1 260 . 14 1 1 A 70 70 GLU HA H 70 3.760 3.944 -0.184 1
1 265 . 14 1 1 A 70 70 GLU C C 70 176.800 178.649 -1.849 1
1 266 . 14 1 1 A 70 70 GLU CA C 70 56.300 59.327 -3.027 1
1 267 . 14 1 1 A 70 70 GLU CB C 70 26.000 29.097 -3.097 1
1 269 . 14 1 1 A 70 70 GLU N N 70 120.000 120.866 -0.866 1
1 270 . 14 1 1 A 71 71 GLN H H 71 8.860 7.762 1.098 1
1 271 . 14 1 1 A 71 71 GLN HA H 71 3.850 4.027 -0.177 1
1 278 . 14 1 1 A 71 71 GLN C C 71 177.400 178.438 -1.038 1
1 279 . 14 1 1 A 71 71 GLN CA C 71 57.200 58.611 -1.411 1
1 280 . 14 1 1 A 71 71 GLN CB C 71 24.400 28.507 -4.107 1
1 282 . 14 1 1 A 71 71 GLN N N 71 120.800 119.203 1.597 1
1 284 . 14 1 1 A 72 72 PHE H H 72 8.890 8.003 0.887 1
1 285 . 14 1 1 A 72 72 PHE HA H 72 4.200 4.045 0.155 1
1 291 . 14 1 1 A 72 72 PHE C C 72 173.500 177.789 -4.289 1
1 292 . 14 1 1 A 72 72 PHE CA C 72 59.000 61.358 -2.358 1
1 293 . 14 1 1 A 72 72 PHE CB C 72 36.000 39.224 -3.224 1
1 294 . 14 1 1 A 72 72 PHE N N 72 123.400 120.642 2.758 1
1 295 . 14 1 1 A 73 73 LYS H H 73 8.480 8.223 0.257 1
1 296 . 14 1 1 A 73 73 LYS HA H 73 3.430 3.594 -0.164 1
1 304 . 14 1 1 A 73 73 LYS C C 73 177.600 179.043 -1.443 1
1 305 . 14 1 1 A 73 73 LYS CA C 73 56.700 59.487 -2.787 1
1 306 . 14 1 1 A 73 73 LYS CB C 73 29.600 31.986 -2.386 1
1 310 . 14 1 1 A 73 73 LYS N N 73 119.900 118.253 1.647 1
1 311 . 14 1 1 A 74 74 SER H H 74 7.780 7.687 0.093 1
1 312 . 14 1 1 A 74 74 SER HA H 74 4.120 4.135 -0.015 1
1 315 . 14 1 1 A 74 74 SER C C 74 174.300 176.933 -2.633 1
1 316 . 14 1 1 A 74 74 SER CA C 74 58.700 61.560 -2.860 1
1 317 . 14 1 1 A 74 74 SER CB C 74 59.900 62.765 -2.865 1
1 318 . 14 1 1 A 74 74 SER N N 74 114.200 114.329 -0.129 1
1 319 . 14 1 1 A 75 75 ALA H H 75 7.870 8.336 -0.466 1
1 320 . 14 1 1 A 75 75 ALA HA H 75 3.840 3.827 0.013 1
1 324 . 14 1 1 A 75 75 ALA C C 75 175.100 179.861 -4.761 1
1 325 . 14 1 1 A 75 75 ALA CA C 75 53.200 54.688 -1.488 1
1 326 . 14 1 1 A 75 75 ALA CB C 75 15.500 18.173 -2.673 1
1 327 . 14 1 1 A 75 75 ALA N N 75 123.100 122.318 0.782 1
1 328 . 14 1 1 A 76 76 PHE H H 76 9.450 7.735 1.715 1
1 329 . 14 1 1 A 76 76 PHE HA H 76 3.700 4.363 -0.663 1
1 334 . 14 1 1 A 76 76 PHE C C 76 174.600 177.605 -3.005 1
1 335 . 14 1 1 A 76 76 PHE CA C 76 59.600 61.781 -2.181 1
1 336 . 14 1 1 A 76 76 PHE CB C 76 35.800 38.730 -2.930 1
1 337 . 14 1 1 A 76 76 PHE N N 76 118.800 118.961 -0.161 1
1 338 . 14 1 1 A 77 77 SER H H 77 8.550 8.271 0.279 1
1 339 . 14 1 1 A 77 77 SER HA H 77 4.130 4.030 0.100 1
1 341 . 14 1 1 A 77 77 SER C C 77 172.200 177.349 -5.149 1
1 342 . 14 1 1 A 77 77 SER CA C 77 60.100 61.883 -1.783 1
1 343 . 14 1 1 A 77 77 SER CB C 77 59.800 62.737 -2.937 1
1 344 . 14 1 1 A 77 77 SER N N 77 113.200 113.230 -0.030 1
1 345 . 14 1 1 A 78 78 CYS H H 78 7.430 8.549 -1.119 1
1 346 . 14 1 1 A 78 78 CYS HA H 78 4.080 3.975 0.105 1
1 349 . 14 1 1 A 78 78 CYS C C 78 174.000 176.400 -2.400 1
1 350 . 14 1 1 A 78 78 CYS CA C 78 57.900 60.399 -2.499 1
1 351 . 14 1 1 A 78 78 CYS CB C 78 36.400 40.901 -4.501 1
1 352 . 14 1 1 A 78 78 CYS N N 78 118.900 119.204 -0.304 1
1 353 . 14 1 1 A 79 79 PHE H H 79 8.270 8.364 -0.094 1
1 354 . 14 1 1 A 79 79 PHE HA H 79 3.740 4.196 -0.456 1
1 359 . 14 1 1 A 79 79 PHE C C 79 173.600 177.403 -3.803 1
1 360 . 14 1 1 A 79 79 PHE CA C 79 59.200 61.742 -2.542 1
1 361 . 14 1 1 A 79 79 PHE CB C 79 37.000 38.970 -1.970 1
1 362 . 14 1 1 A 79 79 PHE N N 79 120.400 121.782 -1.382 1
1 363 . 14 1 1 A 80 80 HIS H H 80 8.840 8.093 0.747 1
1 364 . 14 1 1 A 80 80 HIS HA H 80 3.460 3.822 -0.362 1
1 368 . 14 1 1 A 80 80 HIS C C 80 175.700 176.710 -1.010 1
1 369 . 14 1 1 A 80 80 HIS CA C 80 57.000 59.488 -2.488 1
1 370 . 14 1 1 A 80 80 HIS CB C 80 28.300 30.079 -1.779 1
1 371 . 14 1 1 A 80 80 HIS N N 80 118.400 118.071 0.329 1
1 372 . 14 1 1 A 81 81 TYR H H 81 7.710 8.418 -0.708 1
1 373 . 14 1 1 A 81 81 TYR HA H 81 4.080 3.988 0.092 1
1 378 . 14 1 1 A 81 81 TYR C C 81 172.400 177.391 -4.991 1
1 379 . 14 1 1 A 81 81 TYR CA C 81 56.100 61.667 -5.567 1
1 380 . 14 1 1 A 81 81 TYR CB C 81 34.800 37.461 -2.661 1
1 381 . 14 1 1 A 81 81 TYR N N 81 113.400 116.772 -3.372 1
1 382 . 14 1 1 A 82 82 SER H H 82 7.070 7.771 -0.701 1
1 383 . 14 1 1 A 82 82 SER HA H 82 4.410 4.427 -0.017 1
1 386 . 14 1 1 A 82 82 SER C C 82 174.500 174.376 0.124 1
1 387 . 14 1 1 A 82 82 SER CA C 82 56.300 59.552 -3.252 1
1 388 . 14 1 1 A 82 82 SER CB C 82 59.200 63.706 -4.506 1
1 389 . 14 1 1 A 82 82 SER N N 82 115.600 115.320 0.280 1
1 390 . 14 1 1 A 83 83 THR H H 83 9.290 7.719 1.571 1
1 391 . 14 1 1 A 83 83 THR HA H 83 4.400 3.802 0.598 1
1 396 . 14 1 1 A 83 83 THR C C 83 172.200 173.423 -1.223 1
1 397 . 14 1 1 A 83 83 THR CA C 83 57.500 62.695 -5.195 1
1 398 . 14 1 1 A 83 83 THR CB C 83 65.800 66.358 -0.558 1
1 400 . 14 1 1 A 83 83 THR N N 83 120.400 114.783 5.617 1
1 401 . 14 1 1 A 84 84 GLU H H 84 7.170 7.818 -0.648 1
1 402 . 14 1 1 A 84 84 GLU HA H 84 3.860 4.614 -0.754 1
1 406 . 14 1 1 A 84 84 GLU C C 84 173.300 176.437 -3.137 1
1 407 . 14 1 1 A 84 84 GLU CA C 84 53.100 56.227 -3.127 1
1 408 . 14 1 1 A 84 84 GLU CB C 84 28.400 30.603 -2.203 1
1 410 . 14 1 1 A 84 84 GLU N N 84 121.600 120.935 0.665 1
1 411 . 14 1 1 A 85 85 GLU H H 85 8.390 8.505 -0.115 1
1 412 . 14 1 1 A 85 85 GLU HA H 85 3.730 4.555 -0.825 1
1 417 . 14 1 1 A 85 85 GLU C C 85 175.500 175.659 -0.159 1
1 418 . 14 1 1 A 85 85 GLU CA C 85 56.700 56.940 -0.240 1
1 419 . 14 1 1 A 85 85 GLU CB C 85 26.900 30.623 -3.723 1
1 421 . 14 1 1 A 85 85 GLU N N 85 121.800 116.976 4.824 1
1 422 . 14 1 1 A 86 86 ILE H H 86 8.060 8.107 -0.047 1
1 423 . 14 1 1 A 86 86 ILE HA H 86 4.060 4.019 0.041 1
1 433 . 14 1 1 A 86 86 ILE C C 86 172.400 176.121 -3.721 1
1 434 . 14 1 1 A 86 86 ILE CA C 86 56.800 61.845 -5.045 1
1 435 . 14 1 1 A 86 86 ILE CB C 86 32.700 38.312 -5.612 1
1 439 . 14 1 1 A 86 86 ILE N N 86 117.800 119.977 -2.177 1
1 440 . 14 1 1 A 87 87 LYS H H 87 8.200 8.476 -0.276 1
1 441 . 14 1 1 A 87 87 LYS HA H 87 3.470 2.091 1.379 1
1 450 . 14 1 1 A 87 87 LYS C C 87 175.200 176.944 -1.744 1
1 451 . 14 1 1 A 87 87 LYS CA C 87 56.800 57.961 -1.161 1
1 452 . 14 1 1 A 87 87 LYS CB C 87 30.300 31.661 -1.361 1
1 456 . 14 1 1 A 87 87 LYS N N 87 130.300 125.292 5.008 1
1 457 . 14 1 1 A 88 88 GLY H H 88 8.820 8.254 0.566 1
1 458 . 14 1 1 A 88 88 GLY HA2 H 88 4.440 3.111 1.329 1
1 459 . 14 1 1 A 88 88 GLY HA3 H 88 3.560 3.885 -0.325 1
1 460 . 14 1 1 A 88 88 GLY C C 88 172.800 175.109 -2.309 1
1 461 . 14 1 1 A 88 88 GLY CA C 88 42.800 45.534 -2.734 1
1 462 . 14 1 1 A 88 88 GLY N N 88 110.400 113.288 -2.888 1
1 463 . 14 1 1 A 89 89 SER H H 89 8.570 7.874 0.696 1
1 464 . 14 1 1 A 89 89 SER HA H 89 4.040 4.120 -0.080 1
1 467 . 14 1 1 A 89 89 SER C C 89 171.300 175.243 -3.943 1
1 468 . 14 1 1 A 89 89 SER CA C 89 58.200 60.744 -2.544 1
1 469 . 14 1 1 A 89 89 SER CB C 89 59.200 62.851 -3.651 1
1 470 . 14 1 1 A 89 89 SER N N 89 118.000 117.295 0.705 1
1 471 . 14 1 1 A 90 90 ASP H H 90 10.480 8.356 2.124 1
1 472 . 14 1 1 A 90 90 ASP HA H 90 4.580 4.820 -0.240 1
1 475 . 14 1 1 A 90 90 ASP C C 90 173.500 177.095 -3.595 1
1 476 . 14 1 1 A 90 90 ASP CA C 90 50.500 53.867 -3.367 1
1 477 . 14 1 1 A 90 90 ASP CB C 90 34.900 41.635 -6.735 1
1 478 . 14 1 1 A 90 90 ASP N N 90 116.400 118.494 -2.094 1
1 479 . 14 1 1 A 91 91 CYS H H 91 7.420 7.935 -0.515 1
1 480 . 14 1 1 A 91 91 CYS HA H 91 5.180 5.044 0.136 1
1 483 . 14 1 1 A 91 91 CYS C C 91 172.800 174.544 -1.744 1
1 484 . 14 1 1 A 91 91 CYS CA C 91 50.600 55.974 -5.374 1
1 485 . 14 1 1 A 91 91 CYS CB C 91 38.000 44.249 -6.249 1
1 486 . 14 1 1 A 91 91 CYS N N 91 117.300 117.261 0.039 1
1 487 . 14 1 1 A 92 92 VAL H H 92 7.320 7.344 -0.024 1
1 488 . 14 1 1 A 92 92 VAL HA H 92 3.470 3.824 -0.354 1
1 496 . 14 1 1 A 92 92 VAL C C 92 175.700 177.139 -1.439 1
1 497 . 14 1 1 A 92 92 VAL CA C 92 64.000 65.082 -1.082 1
1 498 . 14 1 1 A 92 92 VAL CB C 92 29.300 31.460 -2.160 1
1 501 . 14 1 1 A 92 92 VAL N N 92 120.500 121.965 -1.465 1
1 502 . 14 1 1 A 93 93 ASP H H 93 8.870 8.531 0.339 1
1 503 . 14 1 1 A 93 93 ASP HA H 93 4.280 4.311 -0.031 1
1 505 . 14 1 1 A 93 93 ASP C C 93 176.500 179.100 -2.600 1
1 506 . 14 1 1 A 93 93 ASP CA C 93 55.100 57.416 -2.316 1
1 507 . 14 1 1 A 93 93 ASP CB C 93 36.800 40.127 -3.327 1
1 508 . 14 1 1 A 93 93 ASP N N 93 120.500 121.896 -1.396 1
1 509 . 14 1 1 A 94 94 GLN H H 94 9.140 7.756 1.384 1
1 510 . 14 1 1 A 94 94 GLN HA H 94 3.920 4.131 -0.211 1
1 517 . 14 1 1 A 94 94 GLN C C 94 178.100 178.717 -0.617 1
1 518 . 14 1 1 A 94 94 GLN CA C 94 57.100 58.503 -1.403 1
1 519 . 14 1 1 A 94 94 GLN CB C 94 24.500 28.719 -4.219 1
1 521 . 14 1 1 A 94 94 GLN N N 94 121.800 117.992 3.808 1
1 523 . 14 1 1 A 95 95 PHE H H 95 8.920 7.786 1.134 1
1 524 . 14 1 1 A 95 95 PHE HA H 95 4.130 4.272 -0.142 1
1 529 . 14 1 1 A 95 95 PHE C C 95 175.100 178.104 -3.004 1
1 530 . 14 1 1 A 95 95 PHE CA C 95 57.500 60.802 -3.302 1
1 531 . 14 1 1 A 95 95 PHE CB C 95 34.500 38.760 -4.260 1
1 532 . 14 1 1 A 95 95 PHE N N 95 122.500 119.482 3.018 1
1 533 . 14 1 1 A 96 96 ARG H H 96 8.500 8.684 -0.184 1
1 534 . 14 1 1 A 96 96 ARG HA H 96 4.040 4.176 -0.136 1
1 540 . 14 1 1 A 96 96 ARG C C 96 175.700 177.981 -2.281 1
1 541 . 14 1 1 A 96 96 ARG CA C 96 56.800 59.628 -2.828 1
1 542 . 14 1 1 A 96 96 ARG CB C 96 26.800 29.668 -2.868 1
1 545 . 14 1 1 A 96 96 ARG N N 96 121.600 121.098 0.502 1
1 546 . 14 1 1 A 97 97 ALA H H 97 7.960 8.438 -0.478 1
1 547 . 14 1 1 A 97 97 ALA HA H 97 4.110 4.056 0.054 1
1 551 . 14 1 1 A 97 97 ALA C C 97 178.600 179.780 -1.180 1
1 552 . 14 1 1 A 97 97 ALA CA C 97 52.100 55.228 -3.128 1
1 553 . 14 1 1 A 97 97 ALA CB C 97 15.200 18.098 -2.898 1
1 554 . 14 1 1 A 97 97 ALA N N 97 120.300 121.749 -1.449 1
1 555 . 14 1 1 A 98 98 MET H H 98 7.600 8.284 -0.684 1
1 556 . 14 1 1 A 98 98 MET HA H 98 3.830 4.114 -0.284 1
1 559 . 14 1 1 A 98 98 MET C C 98 173.900 177.943 -4.043 1
1 560 . 14 1 1 A 98 98 MET CA C 98 56.400 58.172 -1.772 1
1 561 . 14 1 1 A 98 98 MET CB C 98 30.100 31.994 -1.894 1
1 563 . 14 1 1 A 98 98 MET N N 98 118.400 118.739 -0.339 1
1 564 . 14 1 1 A 99 99 GLN H H 99 8.410 8.232 0.178 1
1 565 . 14 1 1 A 99 99 GLN HA H 99 3.800 4.059 -0.259 1
1 569 . 14 1 1 A 99 99 GLN C C 99 173.400 178.728 -5.328 1
1 570 . 14 1 1 A 99 99 GLN CA C 99 56.800 58.974 -2.174 1
1 571 . 14 1 1 A 99 99 GLN CB C 99 25.900 28.655 -2.755 1
1 573 . 14 1 1 A 99 99 GLN N N 99 120.800 118.257 2.543 1
1 574 . 14 1 1 A 100 100 GLU H H 100 8.510 8.401 0.109 1
1 575 . 14 1 1 A 100 100 GLU HA H 100 3.820 3.975 -0.155 1
1 580 . 14 1 1 A 100 100 GLU C C 100 175.900 178.656 -2.756 1
1 581 . 14 1 1 A 100 100 GLU CA C 100 56.500 59.410 -2.910 1
1 582 . 14 1 1 A 100 100 GLU CB C 100 26.900 28.984 -2.084 1
1 584 . 14 1 1 A 100 100 GLU N N 100 117.600 117.547 0.053 1
1 585 . 14 1 1 A 101 101 CYS H H 101 7.310 7.609 -0.299 1
1 586 . 14 1 1 A 101 101 CYS HA H 101 4.230 3.931 0.299 1
1 589 . 14 1 1 A 101 101 CYS C C 101 173.800 176.446 -2.646 1
1 590 . 14 1 1 A 101 101 CYS CA C 101 57.800 59.333 -1.533 1
1 591 . 14 1 1 A 101 101 CYS CB C 101 36.500 41.767 -5.267 1
1 592 . 14 1 1 A 101 101 CYS N N 101 117.800 119.191 -1.391 1
1 593 . 14 1 1 A 102 102 MET H H 102 8.400 8.314 0.086 1
1 594 . 14 1 1 A 102 102 MET HA H 102 3.820 4.561 -0.741 1
1 599 . 14 1 1 A 102 102 MET C C 102 177.100 177.311 -0.211 1
1 600 . 14 1 1 A 102 102 MET CA C 102 57.100 56.986 0.114 1
1 601 . 14 1 1 A 102 102 MET CB C 102 30.200 31.741 -1.541 1
1 603 . 14 1 1 A 102 102 MET N N 102 119.100 119.487 -0.387 1
1 604 . 14 1 1 A 103 103 GLN H H 103 7.850 8.497 -0.647 1
1 605 . 14 1 1 A 103 103 GLN HA H 103 3.960 4.121 -0.161 1
1 612 . 14 1 1 A 103 103 GLN C C 103 174.000 177.534 -3.534 1
1 613 . 14 1 1 A 103 103 GLN CA C 103 55.000 57.936 -2.936 1
1 614 . 14 1 1 A 103 103 GLN CB C 103 25.900 27.768 -1.868 1
1 616 . 14 1 1 A 103 103 GLN N N 103 117.200 117.541 -0.341 1
1 618 . 14 1 1 A 104 104 LYS H H 104 7.470 7.289 0.181 1
1 619 . 14 1 1 A 104 104 LYS HA H 104 3.880 4.193 -0.313 1
1 626 . 14 1 1 A 104 104 LYS C C 104 173.200 176.294 -3.094 1
1 627 . 14 1 1 A 104 104 LYS CA C 104 54.600 58.150 -3.550 1
1 628 . 14 1 1 A 104 104 LYS CB C 104 29.600 33.057 -3.457 1
1 632 . 14 1 1 A 104 104 LYS N N 104 116.700 118.027 -1.327 1
1 633 . 14 1 1 A 105 105 TYR H H 105 7.390 8.007 -0.617 1
1 634 . 14 1 1 A 105 105 TYR HA H 105 5.040 5.082 -0.042 1
1 639 . 14 1 1 A 105 105 TYR C C 105 170.800 174.825 -4.025 1
1 640 . 14 1 1 A 105 105 TYR CA C 105 52.300 55.068 -2.768 1
1 641 . 14 1 1 A 105 105 TYR CB C 105 36.700 38.711 -2.011 1
1 642 . 14 1 1 A 105 105 TYR N N 105 115.700 117.361 -1.661 1
1 643 . 14 1 1 A 106 106 PRO HA H 106 4.470 4.551 -0.081 1
1 650 . 14 1 1 A 106 106 PRO CA C 106 61.800 64.845 -3.045 1
1 651 . 14 1 1 A 106 106 PRO CB C 106 29.000 32.002 -3.002 1
1 654 . 14 1 1 A 107 107 ASP H H 107 8.750 7.777 0.973 1
1 655 . 14 1 1 A 107 107 ASP HA H 107 4.310 4.173 0.137 1
1 658 . 14 1 1 A 107 107 ASP C C 107 174.000 175.242 -1.242 1
1 659 . 14 1 1 A 107 107 ASP CA C 107 52.200 52.833 -0.633 1
1 660 . 14 1 1 A 107 107 ASP CB C 107 36.800 42.196 -5.396 1
1 661 . 14 1 1 A 107 107 ASP N N 107 114.800 115.775 -0.975 1
1 662 . 14 1 1 A 108 108 LEU H H 108 7.270 7.653 -0.383 1
1 663 . 14 1 1 A 108 108 LEU HA H 108 4.030 3.888 0.142 1
1 673 . 14 1 1 A 108 108 LEU C C 108 173.800 176.967 -3.167 1
1 674 . 14 1 1 A 108 108 LEU CA C 108 52.500 56.499 -3.999 1
1 675 . 14 1 1 A 108 108 LEU CB C 108 40.000 41.499 -1.499 1
1 679 . 14 1 1 A 108 108 LEU N N 108 118.900 119.172 -0.272 1
1 7 . 15 1 1 A 46 46 LEU HA H 46 3.970 4.442 -0.472 1
1 17 . 15 1 1 A 46 46 LEU CA C 46 55.000 54.397 0.603 1
1 18 . 15 1 1 A 46 46 LEU CB C 46 40.300 42.961 -2.661 1
1 22 . 15 1 1 A 47 47 ILE H H 47 7.570 7.430 0.140 1
1 23 . 15 1 1 A 47 47 ILE HA H 47 4.270 4.393 -0.123 1
1 33 . 15 1 1 A 47 47 ILE C C 47 174.500 175.146 -0.646 1
1 34 . 15 1 1 A 47 47 ILE CA C 47 54.600 59.851 -5.251 1
1 35 . 15 1 1 A 47 47 ILE CB C 47 34.500 39.589 -5.089 1
1 39 . 15 1 1 A 47 47 ILE N N 47 115.000 121.388 -6.388 1
1 40 . 15 1 1 A 48 48 LEU H H 48 8.760 9.182 -0.422 1
1 41 . 15 1 1 A 48 48 LEU HA H 48 4.260 4.486 -0.226 1
1 51 . 15 1 1 A 48 48 LEU C C 48 174.400 176.839 -2.439 1
1 52 . 15 1 1 A 48 48 LEU CA C 48 51.200 53.097 -1.897 1
1 53 . 15 1 1 A 48 48 LEU CB C 48 37.800 41.276 -3.476 1
1 57 . 15 1 1 A 48 48 LEU N N 48 127.400 127.749 -0.349 1
1 58 . 15 1 1 A 49 49 PRO HA H 49 4.170 4.460 -0.290 1
1 63 . 15 1 1 A 49 49 PRO CA C 49 62.500 64.080 -1.580 1
1 64 . 15 1 1 A 49 49 PRO CB C 49 28.900 31.464 -2.564 1
1 67 . 15 1 1 A 50 50 ASN H H 50 7.180 7.917 -0.737 1
1 68 . 15 1 1 A 50 50 ASN HA H 50 4.420 4.806 -0.386 1
1 73 . 15 1 1 A 50 50 ASN C C 50 173.700 175.894 -2.194 1
1 74 . 15 1 1 A 50 50 ASN CA C 50 49.500 52.184 -2.684 1
1 75 . 15 1 1 A 50 50 ASN CB C 50 34.400 39.045 -4.645 1
1 76 . 15 1 1 A 50 50 ASN N N 50 111.000 114.904 -3.904 1
1 78 . 15 1 1 A 51 51 GLY H H 51 8.370 8.103 0.267 1
1 79 . 15 1 1 A 51 51 GLY HA2 H 51 4.220 3.972 0.248 1
1 80 . 15 1 1 A 51 51 GLY HA3 H 51 3.400 3.975 -0.575 1
1 81 . 15 1 1 A 51 51 GLY C C 51 171.500 174.137 -2.637 1
1 82 . 15 1 1 A 51 51 GLY CA C 51 42.200 45.052 -2.852 1
1 83 . 15 1 1 A 51 51 GLY N N 51 108.400 108.591 -0.191 1
1 84 . 15 1 1 A 52 52 ASN H H 52 7.810 8.054 -0.244 1
1 85 . 15 1 1 A 52 52 ASN HA H 52 4.670 4.994 -0.324 1
1 90 . 15 1 1 A 52 52 ASN C C 52 170.900 174.965 -4.065 1
1 91 . 15 1 1 A 52 52 ASN CA C 52 49.400 52.887 -3.487 1
1 92 . 15 1 1 A 52 52 ASN CB C 52 36.100 40.096 -3.996 1
1 93 . 15 1 1 A 52 52 ASN N N 52 119.100 119.962 -0.862 1
1 95 . 15 1 1 A 53 53 ILE H H 53 8.070 8.367 -0.297 1
1 96 . 15 1 1 A 53 53 ILE HA H 53 3.470 4.266 -0.796 1
1 106 . 15 1 1 A 53 53 ILE C C 53 172.300 174.846 -2.546 1
1 107 . 15 1 1 A 53 53 ILE CA C 53 59.100 59.684 -0.584 1
1 108 . 15 1 1 A 53 53 ILE CB C 53 36.000 38.097 -2.097 1
1 112 . 15 1 1 A 53 53 ILE N N 53 120.100 123.495 -3.395 1
1 113 . 15 1 1 A 54 54 ASN H H 54 8.700 8.551 0.149 1
1 114 . 15 1 1 A 54 54 ASN HA H 54 4.350 4.666 -0.316 1
1 119 . 15 1 1 A 54 54 ASN C C 54 172.300 175.547 -3.247 1
1 120 . 15 1 1 A 54 54 ASN CA C 54 47.500 51.926 -4.426 1
1 121 . 15 1 1 A 54 54 ASN CB C 54 34.200 37.782 -3.582 1
1 122 . 15 1 1 A 54 54 ASN N N 54 123.200 123.982 -0.782 1
1 124 . 15 1 1 A 55 55 TRP H H 55 7.520 7.593 -0.073 1
1 125 . 15 1 1 A 55 55 TRP HA H 55 4.300 4.491 -0.191 1
1 134 . 15 1 1 A 55 55 TRP C C 55 172.100 177.581 -5.481 1
1 135 . 15 1 1 A 55 55 TRP CA C 55 55.200 59.570 -4.370 1
1 136 . 15 1 1 A 55 55 TRP CB C 55 26.400 28.755 -2.355 1
1 137 . 15 1 1 A 55 55 TRP N N 55 124.600 125.004 -0.404 1
1 138 . 15 1 1 A 56 56 ASN H H 56 7.380 8.100 -0.720 1
1 139 . 15 1 1 A 56 56 ASN HA H 56 4.720 4.872 -0.152 1
1 144 . 15 1 1 A 56 56 ASN C C 56 172.100 175.894 -3.794 1
1 145 . 15 1 1 A 56 56 ASN CA C 56 49.500 53.525 -4.025 1
1 146 . 15 1 1 A 56 56 ASN CB C 56 36.200 38.607 -2.407 1
1 147 . 15 1 1 A 56 56 ASN N N 56 112.500 116.934 -4.434 1
1 149 . 15 1 1 A 57 57 CYS H H 57 7.460 7.723 -0.263 1
1 150 . 15 1 1 A 57 57 CYS HA H 57 4.280 4.551 -0.271 1
1 153 . 15 1 1 A 57 57 CYS C C 57 173.000 174.793 -1.793 1
1 154 . 15 1 1 A 57 57 CYS CA C 57 54.900 58.562 -3.662 1
1 155 . 15 1 1 A 57 57 CYS CB C 57 25.000 27.609 -2.609 1
1 156 . 15 1 1 A 57 57 CYS N N 57 123.000 118.569 4.431 1
1 157 . 15 1 1 A 58 58 PRO HA H 58 4.200 4.395 -0.195 1
1 162 . 15 1 1 A 58 58 PRO CA C 58 62.700 65.836 -3.136 1
1 163 . 15 1 1 A 58 58 PRO CB C 58 29.300 31.288 -1.988 1
1 166 . 15 1 1 A 59 59 CYS HA H 59 4.390 4.154 0.236 1
1 168 . 15 1 1 A 59 59 CYS CA C 59 57.000 62.639 -5.639 1
1 169 . 15 1 1 A 59 59 CYS CB C 59 24.400 27.040 -2.640 1
1 170 . 15 1 1 A 60 60 LEU H H 60 7.500 8.096 -0.596 1
1 171 . 15 1 1 A 60 60 LEU HA H 60 4.180 4.052 0.128 1
1 181 . 15 1 1 A 60 60 LEU C C 60 175.700 178.956 -3.256 1
1 182 . 15 1 1 A 60 60 LEU CA C 60 52.000 57.786 -5.786 1
1 183 . 15 1 1 A 60 60 LEU CB C 60 39.000 41.801 -2.801 1
1 187 . 15 1 1 A 60 60 LEU N N 60 117.700 121.601 -3.901 1
1 188 . 15 1 1 A 61 61 GLY H H 61 7.880 8.304 -0.424 1
1 189 . 15 1 1 A 61 61 GLY HA2 H 61 3.830 3.718 0.112 1
1 190 . 15 1 1 A 61 61 GLY HA3 H 61 3.680 3.809 -0.129 1
1 191 . 15 1 1 A 61 61 GLY C C 61 172.700 175.952 -3.252 1
1 192 . 15 1 1 A 61 61 GLY CA C 61 44.700 47.336 -2.636 1
1 193 . 15 1 1 A 61 61 GLY N N 61 105.700 106.901 -1.201 1
1 194 . 15 1 1 A 62 62 GLY H H 62 8.580 8.428 0.152 1
1 195 . 15 1 1 A 62 62 GLY HA2 H 62 3.810 3.778 0.032 1
1 196 . 15 1 1 A 62 62 GLY HA3 H 62 3.680 3.782 -0.102 1
1 197 . 15 1 1 A 62 62 GLY C C 62 174.000 176.275 -2.275 1
1 198 . 15 1 1 A 62 62 GLY CA C 62 42.800 47.077 -4.277 1
1 199 . 15 1 1 A 62 62 GLY N N 62 108.500 110.022 -1.522 1
1 200 . 15 1 1 A 63 63 MET H H 63 7.460 7.924 -0.464 1
1 201 . 15 1 1 A 63 63 MET HA H 63 3.870 3.903 -0.033 1
1 206 . 15 1 1 A 63 63 MET C C 63 174.600 176.902 -2.302 1
1 207 . 15 1 1 A 63 63 MET CA C 63 54.400 57.055 -2.655 1
1 208 . 15 1 1 A 63 63 MET CB C 63 27.600 31.009 -3.409 1
1 210 . 15 1 1 A 63 63 MET N N 63 118.500 119.645 -1.145 1
1 211 . 15 1 1 A 64 64 ALA H H 64 8.080 7.345 0.735 1
1 212 . 15 1 1 A 64 64 ALA HA H 64 4.220 4.344 -0.124 1
1 216 . 15 1 1 A 64 64 ALA C C 64 173.800 176.495 -2.695 1
1 217 . 15 1 1 A 64 64 ALA CA C 64 50.400 51.514 -1.114 1
1 218 . 15 1 1 A 64 64 ALA CB C 64 16.500 19.136 -2.636 1
1 219 . 15 1 1 A 64 64 ALA N N 64 117.500 120.575 -3.075 1
1 220 . 15 1 1 A 65 65 SER H H 65 7.460 7.643 -0.183 1
1 221 . 15 1 1 A 65 65 SER HA H 65 4.570 4.494 0.076 1
1 224 . 15 1 1 A 65 65 SER C C 65 171.500 174.482 -2.982 1
1 225 . 15 1 1 A 65 65 SER CA C 65 54.800 57.288 -2.488 1
1 226 . 15 1 1 A 65 65 SER CB C 65 61.800 64.888 -3.088 1
1 227 . 15 1 1 A 65 65 SER N N 65 111.200 114.735 -3.535 1
1 228 . 15 1 1 A 66 66 GLY H H 66 7.480 8.682 -1.202 1
1 229 . 15 1 1 A 66 66 GLY HA2 H 66 3.980 3.968 0.012 1
1 230 . 15 1 1 A 66 66 GLY HA3 H 66 4.030 4.091 -0.061 1
1 231 . 15 1 1 A 66 66 GLY C C 66 170.600 174.354 -3.754 1
1 232 . 15 1 1 A 66 66 GLY CA C 66 42.000 44.742 -2.742 1
1 233 . 15 1 1 A 66 66 GLY N N 66 108.800 112.606 -3.806 1
1 234 . 15 1 1 A 67 67 PRO HA H 67 4.210 4.271 -0.061 1
1 241 . 15 1 1 A 67 67 PRO CA C 67 62.000 65.284 -3.284 1
1 242 . 15 1 1 A 67 67 PRO CB C 67 28.900 31.213 -2.313 1
1 245 . 15 1 1 A 68 68 CYS H H 68 7.700 7.942 -0.242 1
1 246 . 15 1 1 A 68 68 CYS HA H 68 5.450 4.377 1.073 1
1 249 . 15 1 1 A 68 68 CYS C C 68 173.500 176.559 -3.059 1
1 250 . 15 1 1 A 68 68 CYS CA C 68 49.500 59.264 -9.764 1
1 251 . 15 1 1 A 68 68 CYS CB C 68 36.200 41.454 -5.254 1
1 252 . 15 1 1 A 68 68 CYS N N 68 115.300 114.520 0.780 1
1 253 . 15 1 1 A 69 69 GLY H H 69 7.840 7.987 -0.147 1
1 254 . 15 1 1 A 69 69 GLY HA2 H 69 3.950 3.829 0.121 1
1 255 . 15 1 1 A 69 69 GLY HA3 H 69 3.550 3.895 -0.345 1
1 256 . 15 1 1 A 69 69 GLY C C 69 173.300 176.015 -2.715 1
1 257 . 15 1 1 A 69 69 GLY CA C 69 45.200 46.944 -1.744 1
1 258 . 15 1 1 A 69 69 GLY N N 69 110.200 109.278 0.922 1
1 259 . 15 1 1 A 70 70 GLU H H 70 8.650 8.605 0.045 1
1 260 . 15 1 1 A 70 70 GLU HA H 70 3.760 3.932 -0.172 1
1 265 . 15 1 1 A 70 70 GLU C C 70 176.800 178.606 -1.806 1
1 266 . 15 1 1 A 70 70 GLU CA C 70 56.300 59.228 -2.928 1
1 267 . 15 1 1 A 70 70 GLU CB C 70 26.000 29.077 -3.077 1
1 269 . 15 1 1 A 70 70 GLU N N 70 120.000 119.720 0.280 1
1 270 . 15 1 1 A 71 71 GLN H H 71 8.860 7.798 1.062 1
1 271 . 15 1 1 A 71 71 GLN HA H 71 3.850 4.031 -0.181 1
1 278 . 15 1 1 A 71 71 GLN C C 71 177.400 178.412 -1.012 1
1 279 . 15 1 1 A 71 71 GLN CA C 71 57.200 58.628 -1.428 1
1 280 . 15 1 1 A 71 71 GLN CB C 71 24.400 28.577 -4.177 1
1 282 . 15 1 1 A 71 71 GLN N N 71 120.800 119.150 1.650 1
1 284 . 15 1 1 A 72 72 PHE H H 72 8.890 7.734 1.156 1
1 285 . 15 1 1 A 72 72 PHE HA H 72 4.200 3.959 0.241 1
1 291 . 15 1 1 A 72 72 PHE C C 72 173.500 177.612 -4.112 1
1 292 . 15 1 1 A 72 72 PHE CA C 72 59.000 61.366 -2.366 1
1 293 . 15 1 1 A 72 72 PHE CB C 72 36.000 39.180 -3.180 1
1 294 . 15 1 1 A 72 72 PHE N N 72 123.400 120.875 2.525 1
1 295 . 15 1 1 A 73 73 LYS H H 73 8.480 8.170 0.310 1
1 296 . 15 1 1 A 73 73 LYS HA H 73 3.430 3.474 -0.044 1
1 304 . 15 1 1 A 73 73 LYS C C 73 177.600 178.829 -1.229 1
1 305 . 15 1 1 A 73 73 LYS CA C 73 56.700 59.520 -2.820 1
1 306 . 15 1 1 A 73 73 LYS CB C 73 29.600 31.940 -2.340 1
1 310 . 15 1 1 A 73 73 LYS N N 73 119.900 118.380 1.520 1
1 311 . 15 1 1 A 74 74 SER H H 74 7.780 7.578 0.202 1
1 312 . 15 1 1 A 74 74 SER HA H 74 4.120 4.149 -0.029 1
1 315 . 15 1 1 A 74 74 SER C C 74 174.300 177.182 -2.882 1
1 316 . 15 1 1 A 74 74 SER CA C 74 58.700 61.419 -2.719 1
1 317 . 15 1 1 A 74 74 SER CB C 74 59.900 62.603 -2.703 1
1 318 . 15 1 1 A 74 74 SER N N 74 114.200 113.984 0.216 1
1 319 . 15 1 1 A 75 75 ALA H H 75 7.870 7.945 -0.075 1
1 320 . 15 1 1 A 75 75 ALA HA H 75 3.840 3.775 0.065 1
1 324 . 15 1 1 A 75 75 ALA C C 75 175.100 180.003 -4.903 1
1 325 . 15 1 1 A 75 75 ALA CA C 75 53.200 54.626 -1.426 1
1 326 . 15 1 1 A 75 75 ALA CB C 75 15.500 17.799 -2.299 1
1 327 . 15 1 1 A 75 75 ALA N N 75 123.100 122.655 0.445 1
1 328 . 15 1 1 A 76 76 PHE H H 76 9.450 7.863 1.587 1
1 329 . 15 1 1 A 76 76 PHE HA H 76 3.700 4.414 -0.714 1
1 334 . 15 1 1 A 76 76 PHE C C 76 174.600 178.201 -3.601 1
1 335 . 15 1 1 A 76 76 PHE CA C 76 59.600 61.216 -1.616 1
1 336 . 15 1 1 A 76 76 PHE CB C 76 35.800 38.149 -2.349 1
1 337 . 15 1 1 A 76 76 PHE N N 76 118.800 116.609 2.191 1
1 338 . 15 1 1 A 77 77 SER H H 77 8.550 8.354 0.196 1
1 339 . 15 1 1 A 77 77 SER HA H 77 4.130 4.010 0.120 1
1 341 . 15 1 1 A 77 77 SER C C 77 172.200 177.349 -5.149 1
1 342 . 15 1 1 A 77 77 SER CA C 77 60.100 61.872 -1.772 1
1 343 . 15 1 1 A 77 77 SER CB C 77 59.800 62.773 -2.973 1
1 344 . 15 1 1 A 77 77 SER N N 77 113.200 113.859 -0.659 1
1 345 . 15 1 1 A 78 78 CYS H H 78 7.430 8.467 -1.037 1
1 346 . 15 1 1 A 78 78 CYS HA H 78 4.080 4.044 0.036 1
1 349 . 15 1 1 A 78 78 CYS C C 78 174.000 175.902 -1.902 1
1 350 . 15 1 1 A 78 78 CYS CA C 78 57.900 60.387 -2.487 1
1 351 . 15 1 1 A 78 78 CYS CB C 78 36.400 40.255 -3.855 1
1 352 . 15 1 1 A 78 78 CYS N N 78 118.900 119.414 -0.514 1
1 353 . 15 1 1 A 79 79 PHE H H 79 8.270 8.645 -0.375 1
1 354 . 15 1 1 A 79 79 PHE HA H 79 3.740 4.133 -0.393 1
1 359 . 15 1 1 A 79 79 PHE C C 79 173.600 177.768 -4.168 1
1 360 . 15 1 1 A 79 79 PHE CA C 79 59.200 61.604 -2.404 1
1 361 . 15 1 1 A 79 79 PHE CB C 79 37.000 38.929 -1.929 1
1 362 . 15 1 1 A 79 79 PHE N N 79 120.400 121.774 -1.374 1
1 363 . 15 1 1 A 80 80 HIS H H 80 8.840 8.382 0.458 1
1 364 . 15 1 1 A 80 80 HIS HA H 80 3.460 4.056 -0.596 1
1 368 . 15 1 1 A 80 80 HIS C C 80 175.700 176.657 -0.957 1
1 369 . 15 1 1 A 80 80 HIS CA C 80 57.000 58.438 -1.438 1
1 370 . 15 1 1 A 80 80 HIS CB C 80 28.300 29.083 -0.783 1
1 371 . 15 1 1 A 80 80 HIS N N 80 118.400 116.327 2.073 1
1 372 . 15 1 1 A 81 81 TYR H H 81 7.710 7.828 -0.118 1
1 373 . 15 1 1 A 81 81 TYR HA H 81 4.080 4.325 -0.245 1
1 378 . 15 1 1 A 81 81 TYR C C 81 172.400 177.118 -4.718 1
1 379 . 15 1 1 A 81 81 TYR CA C 81 56.100 61.292 -5.192 1
1 380 . 15 1 1 A 81 81 TYR CB C 81 34.800 38.667 -3.867 1
1 381 . 15 1 1 A 81 81 TYR N N 81 113.400 118.349 -4.949 1
1 382 . 15 1 1 A 82 82 SER H H 82 7.070 7.868 -0.798 1
1 383 . 15 1 1 A 82 82 SER HA H 82 4.410 4.434 -0.024 1
1 386 . 15 1 1 A 82 82 SER C C 82 174.500 174.462 0.038 1
1 387 . 15 1 1 A 82 82 SER CA C 82 56.300 60.978 -4.678 1
1 388 . 15 1 1 A 82 82 SER CB C 82 59.200 63.809 -4.609 1
1 389 . 15 1 1 A 82 82 SER N N 82 115.600 115.683 -0.083 1
1 390 . 15 1 1 A 83 83 THR H H 83 9.290 8.001 1.289 1
1 391 . 15 1 1 A 83 83 THR HA H 83 4.400 3.964 0.436 1
1 396 . 15 1 1 A 83 83 THR C C 83 172.200 175.271 -3.071 1
1 397 . 15 1 1 A 83 83 THR CA C 83 57.500 63.782 -6.282 1
1 398 . 15 1 1 A 83 83 THR CB C 83 65.800 66.866 -1.066 1
1 400 . 15 1 1 A 83 83 THR N N 83 120.400 114.147 6.253 1
1 401 . 15 1 1 A 84 84 GLU H H 84 7.170 8.457 -1.287 1
1 402 . 15 1 1 A 84 84 GLU HA H 84 3.860 4.071 -0.211 1
1 406 . 15 1 1 A 84 84 GLU C C 84 173.300 176.441 -3.141 1
1 407 . 15 1 1 A 84 84 GLU CA C 84 53.100 59.031 -5.931 1
1 408 . 15 1 1 A 84 84 GLU CB C 84 28.400 29.900 -1.500 1
1 410 . 15 1 1 A 84 84 GLU N N 84 121.600 122.040 -0.440 1
1 411 . 15 1 1 A 85 85 GLU H H 85 8.390 7.788 0.602 1
1 412 . 15 1 1 A 85 85 GLU HA H 85 3.730 4.537 -0.807 1
1 417 . 15 1 1 A 85 85 GLU C C 85 175.500 175.963 -0.463 1
1 418 . 15 1 1 A 85 85 GLU CA C 85 56.700 57.593 -0.893 1
1 419 . 15 1 1 A 85 85 GLU CB C 85 26.900 32.663 -5.763 1
1 421 . 15 1 1 A 85 85 GLU N N 85 121.800 114.798 7.002 1
1 422 . 15 1 1 A 86 86 ILE H H 86 8.060 8.304 -0.244 1
1 423 . 15 1 1 A 86 86 ILE HA H 86 4.060 4.086 -0.026 1
1 433 . 15 1 1 A 86 86 ILE C C 86 172.400 176.047 -3.647 1
1 434 . 15 1 1 A 86 86 ILE CA C 86 56.800 61.150 -4.350 1
1 435 . 15 1 1 A 86 86 ILE CB C 86 32.700 38.263 -5.563 1
1 439 . 15 1 1 A 86 86 ILE N N 86 117.800 120.998 -3.198 1
1 440 . 15 1 1 A 87 87 LYS H H 87 8.200 8.484 -0.284 1
1 441 . 15 1 1 A 87 87 LYS HA H 87 3.470 2.390 1.080 1
1 450 . 15 1 1 A 87 87 LYS C C 87 175.200 176.693 -1.493 1
1 451 . 15 1 1 A 87 87 LYS CA C 87 56.800 57.885 -1.085 1
1 452 . 15 1 1 A 87 87 LYS CB C 87 30.300 31.628 -1.328 1
1 456 . 15 1 1 A 87 87 LYS N N 87 130.300 125.723 4.577 1
1 457 . 15 1 1 A 88 88 GLY H H 88 8.820 8.597 0.223 1
1 458 . 15 1 1 A 88 88 GLY HA2 H 88 4.440 3.164 1.276 1
1 459 . 15 1 1 A 88 88 GLY HA3 H 88 3.560 3.976 -0.416 1
1 460 . 15 1 1 A 88 88 GLY C C 88 172.800 175.314 -2.514 1
1 461 . 15 1 1 A 88 88 GLY CA C 88 42.800 46.030 -3.230 1
1 462 . 15 1 1 A 88 88 GLY N N 88 110.400 113.502 -3.102 1
1 463 . 15 1 1 A 89 89 SER H H 89 8.570 7.966 0.604 1
1 464 . 15 1 1 A 89 89 SER HA H 89 4.040 4.208 -0.168 1
1 467 . 15 1 1 A 89 89 SER C C 89 171.300 175.216 -3.916 1
1 468 . 15 1 1 A 89 89 SER CA C 89 58.200 61.473 -3.273 1
1 469 . 15 1 1 A 89 89 SER CB C 89 59.200 63.008 -3.808 1
1 470 . 15 1 1 A 89 89 SER N N 89 118.000 115.495 2.505 1
1 471 . 15 1 1 A 90 90 ASP H H 90 10.480 7.991 2.489 1
1 472 . 15 1 1 A 90 90 ASP HA H 90 4.580 4.673 -0.093 1
1 475 . 15 1 1 A 90 90 ASP C C 90 173.500 176.887 -3.387 1
1 476 . 15 1 1 A 90 90 ASP CA C 90 50.500 54.293 -3.793 1
1 477 . 15 1 1 A 90 90 ASP CB C 90 34.900 41.561 -6.661 1
1 478 . 15 1 1 A 90 90 ASP N N 90 116.400 117.945 -1.545 1
1 479 . 15 1 1 A 91 91 CYS H H 91 7.420 8.002 -0.582 1
1 480 . 15 1 1 A 91 91 CYS HA H 91 5.180 4.979 0.201 1
1 483 . 15 1 1 A 91 91 CYS C C 91 172.800 174.125 -1.325 1
1 484 . 15 1 1 A 91 91 CYS CA C 91 50.600 55.835 -5.235 1
1 485 . 15 1 1 A 91 91 CYS CB C 91 38.000 43.572 -5.572 1
1 486 . 15 1 1 A 91 91 CYS N N 91 117.300 116.665 0.635 1
1 487 . 15 1 1 A 92 92 VAL H H 92 7.320 7.235 0.085 1
1 488 . 15 1 1 A 92 92 VAL HA H 92 3.470 3.652 -0.182 1
1 496 . 15 1 1 A 92 92 VAL C C 92 175.700 177.679 -1.979 1
1 497 . 15 1 1 A 92 92 VAL CA C 92 64.000 66.150 -2.150 1
1 498 . 15 1 1 A 92 92 VAL CB C 92 29.300 31.390 -2.090 1
1 501 . 15 1 1 A 92 92 VAL N N 92 120.500 122.845 -2.345 1
1 502 . 15 1 1 A 93 93 ASP H H 93 8.870 8.246 0.624 1
1 503 . 15 1 1 A 93 93 ASP HA H 93 4.280 4.359 -0.079 1
1 505 . 15 1 1 A 93 93 ASP C C 93 176.500 178.571 -2.071 1
1 506 . 15 1 1 A 93 93 ASP CA C 93 55.100 57.381 -2.281 1
1 507 . 15 1 1 A 93 93 ASP CB C 93 36.800 40.999 -4.199 1
1 508 . 15 1 1 A 93 93 ASP N N 93 120.500 120.502 -0.002 1
1 509 . 15 1 1 A 94 94 GLN H H 94 9.140 8.143 0.997 1
1 510 . 15 1 1 A 94 94 GLN HA H 94 3.920 4.044 -0.124 1
1 517 . 15 1 1 A 94 94 GLN C C 94 178.100 179.146 -1.046 1
1 518 . 15 1 1 A 94 94 GLN CA C 94 57.100 59.178 -2.078 1
1 519 . 15 1 1 A 94 94 GLN CB C 94 24.500 28.197 -3.697 1
1 521 . 15 1 1 A 94 94 GLN N N 94 121.800 117.944 3.856 1
1 523 . 15 1 1 A 95 95 PHE H H 95 8.920 7.712 1.208 1
1 524 . 15 1 1 A 95 95 PHE HA H 95 4.130 4.312 -0.182 1
1 529 . 15 1 1 A 95 95 PHE C C 95 175.100 178.226 -3.126 1
1 530 . 15 1 1 A 95 95 PHE CA C 95 57.500 60.918 -3.418 1
1 531 . 15 1 1 A 95 95 PHE CB C 95 34.500 38.304 -3.804 1
1 532 . 15 1 1 A 95 95 PHE N N 95 122.500 119.646 2.854 1
1 533 . 15 1 1 A 96 96 ARG H H 96 8.500 8.631 -0.131 1
1 534 . 15 1 1 A 96 96 ARG HA H 96 4.040 4.148 -0.108 1
1 540 . 15 1 1 A 96 96 ARG C C 96 175.700 177.950 -2.250 1
1 541 . 15 1 1 A 96 96 ARG CA C 96 56.800 59.589 -2.789 1
1 542 . 15 1 1 A 96 96 ARG CB C 96 26.800 29.810 -3.010 1
1 545 . 15 1 1 A 96 96 ARG N N 96 121.600 121.367 0.233 1
1 546 . 15 1 1 A 97 97 ALA H H 97 7.960 8.453 -0.493 1
1 547 . 15 1 1 A 97 97 ALA HA H 97 4.110 4.079 0.031 1
1 551 . 15 1 1 A 97 97 ALA C C 97 178.600 179.934 -1.334 1
1 552 . 15 1 1 A 97 97 ALA CA C 97 52.100 55.214 -3.114 1
1 553 . 15 1 1 A 97 97 ALA CB C 97 15.200 18.087 -2.887 1
1 554 . 15 1 1 A 97 97 ALA N N 97 120.300 121.554 -1.254 1
1 555 . 15 1 1 A 98 98 MET H H 98 7.600 8.304 -0.704 1
1 556 . 15 1 1 A 98 98 MET HA H 98 3.830 4.045 -0.215 1
1 559 . 15 1 1 A 98 98 MET C C 98 173.900 178.244 -4.344 1
1 560 . 15 1 1 A 98 98 MET CA C 98 56.400 58.271 -1.871 1
1 561 . 15 1 1 A 98 98 MET CB C 98 30.100 31.916 -1.816 1
1 563 . 15 1 1 A 98 98 MET N N 98 118.400 118.863 -0.463 1
1 564 . 15 1 1 A 99 99 GLN H H 99 8.410 7.619 0.791 1
1 565 . 15 1 1 A 99 99 GLN HA H 99 3.800 4.122 -0.322 1
1 569 . 15 1 1 A 99 99 GLN C C 99 173.400 178.733 -5.333 1
1 570 . 15 1 1 A 99 99 GLN CA C 99 56.800 58.988 -2.188 1
1 571 . 15 1 1 A 99 99 GLN CB C 99 25.900 28.225 -2.325 1
1 573 . 15 1 1 A 99 99 GLN N N 99 120.800 118.555 2.245 1
1 574 . 15 1 1 A 100 100 GLU H H 100 8.510 8.397 0.113 1
1 575 . 15 1 1 A 100 100 GLU HA H 100 3.820 3.985 -0.165 1
1 580 . 15 1 1 A 100 100 GLU C C 100 175.900 178.808 -2.908 1
1 581 . 15 1 1 A 100 100 GLU CA C 100 56.500 59.410 -2.910 1
1 582 . 15 1 1 A 100 100 GLU CB C 100 26.900 28.778 -1.878 1
1 584 . 15 1 1 A 100 100 GLU N N 100 117.600 117.553 0.047 1
1 585 . 15 1 1 A 101 101 CYS H H 101 7.310 7.748 -0.438 1
1 586 . 15 1 1 A 101 101 CYS HA H 101 4.230 4.069 0.161 1
1 589 . 15 1 1 A 101 101 CYS C C 101 173.800 176.625 -2.825 1
1 590 . 15 1 1 A 101 101 CYS CA C 101 57.800 59.642 -1.842 1
1 591 . 15 1 1 A 101 101 CYS CB C 101 36.500 41.745 -5.245 1
1 592 . 15 1 1 A 101 101 CYS N N 101 117.800 119.069 -1.269 1
1 593 . 15 1 1 A 102 102 MET H H 102 8.400 7.865 0.535 1
1 594 . 15 1 1 A 102 102 MET HA H 102 3.820 4.636 -0.816 1
1 599 . 15 1 1 A 102 102 MET C C 102 177.100 177.362 -0.262 1
1 600 . 15 1 1 A 102 102 MET CA C 102 57.100 56.788 0.312 1
1 601 . 15 1 1 A 102 102 MET CB C 102 30.200 31.722 -1.522 1
1 603 . 15 1 1 A 102 102 MET N N 102 119.100 119.262 -0.162 1
1 604 . 15 1 1 A 103 103 GLN H H 103 7.850 7.916 -0.066 1
1 605 . 15 1 1 A 103 103 GLN HA H 103 3.960 4.171 -0.211 1
1 612 . 15 1 1 A 103 103 GLN C C 103 174.000 177.912 -3.912 1
1 613 . 15 1 1 A 103 103 GLN CA C 103 55.000 58.159 -3.159 1
1 614 . 15 1 1 A 103 103 GLN CB C 103 25.900 28.983 -3.083 1
1 616 . 15 1 1 A 103 103 GLN N N 103 117.200 117.618 -0.418 1
1 618 . 15 1 1 A 104 104 LYS H H 104 7.470 7.265 0.205 1
1 619 . 15 1 1 A 104 104 LYS HA H 104 3.880 4.105 -0.225 1
1 626 . 15 1 1 A 104 104 LYS C C 104 173.200 175.872 -2.672 1
1 627 . 15 1 1 A 104 104 LYS CA C 104 54.600 58.042 -3.442 1
1 628 . 15 1 1 A 104 104 LYS CB C 104 29.600 32.946 -3.346 1
1 632 . 15 1 1 A 104 104 LYS N N 104 116.700 118.016 -1.316 1
1 633 . 15 1 1 A 105 105 TYR H H 105 7.390 8.123 -0.733 1
1 634 . 15 1 1 A 105 105 TYR HA H 105 5.040 4.915 0.125 1
1 639 . 15 1 1 A 105 105 TYR C C 105 170.800 174.760 -3.960 1
1 640 . 15 1 1 A 105 105 TYR CA C 105 52.300 55.052 -2.752 1
1 641 . 15 1 1 A 105 105 TYR CB C 105 36.700 39.773 -3.073 1
1 642 . 15 1 1 A 105 105 TYR N N 105 115.700 117.479 -1.779 1
1 643 . 15 1 1 A 106 106 PRO HA H 106 4.470 4.538 -0.068 1
1 650 . 15 1 1 A 106 106 PRO CA C 106 61.800 64.437 -2.637 1
1 651 . 15 1 1 A 106 106 PRO CB C 106 29.000 32.127 -3.127 1
1 654 . 15 1 1 A 107 107 ASP H H 107 8.750 7.704 1.046 1
1 655 . 15 1 1 A 107 107 ASP HA H 107 4.310 4.679 -0.369 1
1 658 . 15 1 1 A 107 107 ASP C C 107 174.000 175.291 -1.291 1
1 659 . 15 1 1 A 107 107 ASP CA C 107 52.200 53.057 -0.857 1
1 660 . 15 1 1 A 107 107 ASP CB C 107 36.800 40.796 -3.996 1
1 661 . 15 1 1 A 107 107 ASP N N 107 114.800 117.985 -3.185 1
1 662 . 15 1 1 A 108 108 LEU H H 108 7.270 7.305 -0.035 1
1 663 . 15 1 1 A 108 108 LEU HA H 108 4.030 4.490 -0.460 1
1 673 . 15 1 1 A 108 108 LEU C C 108 173.800 176.675 -2.875 1
1 674 . 15 1 1 A 108 108 LEU CA C 108 52.500 54.603 -2.103 1
1 675 . 15 1 1 A 108 108 LEU CB C 108 40.000 42.539 -2.539 1
1 679 . 15 1 1 A 108 108 LEU N N 108 118.900 121.356 -2.456 1
1 7 . 16 1 1 A 46 46 LEU HA H 46 3.970 4.326 -0.356 1
1 17 . 16 1 1 A 46 46 LEU CA C 46 55.000 56.280 -1.280 1
1 18 . 16 1 1 A 46 46 LEU CB C 46 40.300 40.439 -0.139 1
1 22 . 16 1 1 A 47 47 ILE H H 47 7.570 7.885 -0.315 1
1 23 . 16 1 1 A 47 47 ILE HA H 47 4.270 4.073 0.197 1
1 33 . 16 1 1 A 47 47 ILE C C 47 174.500 175.370 -0.870 1
1 34 . 16 1 1 A 47 47 ILE CA C 47 54.600 61.180 -6.580 1
1 35 . 16 1 1 A 47 47 ILE CB C 47 34.500 37.675 -3.175 1
1 39 . 16 1 1 A 47 47 ILE N N 47 115.000 121.833 -6.833 1
1 40 . 16 1 1 A 48 48 LEU H H 48 8.760 8.841 -0.081 1
1 41 . 16 1 1 A 48 48 LEU HA H 48 4.260 4.439 -0.179 1
1 51 . 16 1 1 A 48 48 LEU C C 48 174.400 176.838 -2.438 1
1 52 . 16 1 1 A 48 48 LEU CA C 48 51.200 53.284 -2.084 1
1 53 . 16 1 1 A 48 48 LEU CB C 48 37.800 41.245 -3.445 1
1 57 . 16 1 1 A 48 48 LEU N N 48 127.400 127.673 -0.273 1
1 58 . 16 1 1 A 49 49 PRO HA H 49 4.170 4.461 -0.291 1
1 63 . 16 1 1 A 49 49 PRO CA C 49 62.500 64.402 -1.902 1
1 64 . 16 1 1 A 49 49 PRO CB C 49 28.900 31.757 -2.857 1
1 67 . 16 1 1 A 50 50 ASN H H 50 7.180 7.793 -0.613 1
1 68 . 16 1 1 A 50 50 ASN HA H 50 4.420 4.729 -0.309 1
1 73 . 16 1 1 A 50 50 ASN C C 50 173.700 176.558 -2.858 1
1 74 . 16 1 1 A 50 50 ASN CA C 50 49.500 52.025 -2.525 1
1 75 . 16 1 1 A 50 50 ASN CB C 50 34.400 38.035 -3.635 1
1 76 . 16 1 1 A 50 50 ASN N N 50 111.000 113.067 -2.067 1
1 78 . 16 1 1 A 51 51 GLY H H 51 8.370 8.200 0.170 1
1 79 . 16 1 1 A 51 51 GLY HA2 H 51 4.220 3.900 0.320 1
1 80 . 16 1 1 A 51 51 GLY HA3 H 51 3.400 3.916 -0.516 1
1 81 . 16 1 1 A 51 51 GLY C C 51 171.500 174.056 -2.556 1
1 82 . 16 1 1 A 51 51 GLY CA C 51 42.200 44.959 -2.759 1
1 83 . 16 1 1 A 51 51 GLY N N 51 108.400 109.365 -0.965 1
1 84 . 16 1 1 A 52 52 ASN H H 52 7.810 8.108 -0.298 1
1 85 . 16 1 1 A 52 52 ASN HA H 52 4.670 4.949 -0.279 1
1 90 . 16 1 1 A 52 52 ASN C C 52 170.900 174.778 -3.878 1
1 91 . 16 1 1 A 52 52 ASN CA C 52 49.400 52.720 -3.320 1
1 92 . 16 1 1 A 52 52 ASN CB C 52 36.100 40.300 -4.200 1
1 93 . 16 1 1 A 52 52 ASN N N 52 119.100 119.765 -0.665 1
1 95 . 16 1 1 A 53 53 ILE H H 53 8.070 8.215 -0.145 1
1 96 . 16 1 1 A 53 53 ILE HA H 53 3.470 4.127 -0.657 1
1 106 . 16 1 1 A 53 53 ILE C C 53 172.300 174.695 -2.395 1
1 107 . 16 1 1 A 53 53 ILE CA C 53 59.100 60.012 -0.912 1
1 108 . 16 1 1 A 53 53 ILE CB C 53 36.000 37.923 -1.923 1
1 112 . 16 1 1 A 53 53 ILE N N 53 120.100 123.654 -3.554 1
1 113 . 16 1 1 A 54 54 ASN H H 54 8.700 8.757 -0.057 1
1 114 . 16 1 1 A 54 54 ASN HA H 54 4.350 4.665 -0.315 1
1 119 . 16 1 1 A 54 54 ASN C C 54 172.300 175.699 -3.399 1
1 120 . 16 1 1 A 54 54 ASN CA C 54 47.500 51.978 -4.478 1
1 121 . 16 1 1 A 54 54 ASN CB C 54 34.200 38.084 -3.884 1
1 122 . 16 1 1 A 54 54 ASN N N 54 123.200 124.533 -1.333 1
1 124 . 16 1 1 A 55 55 TRP H H 55 7.520 7.776 -0.256 1
1 125 . 16 1 1 A 55 55 TRP HA H 55 4.300 4.690 -0.390 1
1 134 . 16 1 1 A 55 55 TRP C C 55 172.100 177.509 -5.409 1
1 135 . 16 1 1 A 55 55 TRP CA C 55 55.200 58.298 -3.098 1
1 136 . 16 1 1 A 55 55 TRP CB C 55 26.400 28.573 -2.173 1
1 137 . 16 1 1 A 55 55 TRP N N 55 124.600 124.975 -0.375 1
1 138 . 16 1 1 A 56 56 ASN H H 56 7.380 7.953 -0.573 1
1 139 . 16 1 1 A 56 56 ASN HA H 56 4.720 4.987 -0.267 1
1 144 . 16 1 1 A 56 56 ASN C C 56 172.100 175.031 -2.931 1
1 145 . 16 1 1 A 56 56 ASN CA C 56 49.500 52.915 -3.415 1
1 146 . 16 1 1 A 56 56 ASN CB C 56 36.200 40.071 -3.871 1
1 147 . 16 1 1 A 56 56 ASN N N 56 112.500 116.025 -3.525 1
1 149 . 16 1 1 A 57 57 CYS H H 57 7.460 7.456 0.004 1
1 150 . 16 1 1 A 57 57 CYS HA H 57 4.280 4.422 -0.142 1
1 153 . 16 1 1 A 57 57 CYS C C 57 173.000 174.732 -1.732 1
1 154 . 16 1 1 A 57 57 CYS CA C 57 54.900 58.688 -3.788 1
1 155 . 16 1 1 A 57 57 CYS CB C 57 25.000 27.336 -2.336 1
1 156 . 16 1 1 A 57 57 CYS N N 57 123.000 120.223 2.777 1
1 157 . 16 1 1 A 58 58 PRO HA H 58 4.200 4.613 -0.413 1
1 162 . 16 1 1 A 58 58 PRO CA C 58 62.700 62.806 -0.106 1
1 163 . 16 1 1 A 58 58 PRO CB C 58 29.300 29.663 -0.363 1
1 166 . 16 1 1 A 59 59 CYS HA H 59 4.390 4.638 -0.248 1
1 168 . 16 1 1 A 59 59 CYS CA C 59 57.000 60.451 -3.451 1
1 169 . 16 1 1 A 59 59 CYS CB C 59 24.400 28.834 -4.434 1
1 170 . 16 1 1 A 60 60 LEU H H 60 7.500 8.213 -0.713 1
1 171 . 16 1 1 A 60 60 LEU HA H 60 4.180 4.003 0.177 1
1 181 . 16 1 1 A 60 60 LEU C C 60 175.700 178.691 -2.991 1
1 182 . 16 1 1 A 60 60 LEU CA C 60 52.000 57.962 -5.962 1
1 183 . 16 1 1 A 60 60 LEU CB C 60 39.000 41.868 -2.868 1
1 187 . 16 1 1 A 60 60 LEU N N 60 117.700 122.279 -4.579 1
1 188 . 16 1 1 A 61 61 GLY H H 61 7.880 8.353 -0.473 1
1 189 . 16 1 1 A 61 61 GLY HA2 H 61 3.830 3.817 0.013 1
1 190 . 16 1 1 A 61 61 GLY HA3 H 61 3.680 3.955 -0.275 1
1 191 . 16 1 1 A 61 61 GLY C C 61 172.700 176.149 -3.449 1
1 192 . 16 1 1 A 61 61 GLY CA C 61 44.700 47.418 -2.718 1
1 193 . 16 1 1 A 61 61 GLY N N 61 105.700 106.824 -1.124 1
1 194 . 16 1 1 A 62 62 GLY H H 62 8.580 8.114 0.466 1
1 195 . 16 1 1 A 62 62 GLY HA2 H 62 3.810 3.733 0.077 1
1 196 . 16 1 1 A 62 62 GLY HA3 H 62 3.680 3.736 -0.056 1
1 197 . 16 1 1 A 62 62 GLY C C 62 174.000 176.385 -2.385 1
1 198 . 16 1 1 A 62 62 GLY CA C 62 42.800 46.926 -4.126 1
1 199 . 16 1 1 A 62 62 GLY N N 62 108.500 109.597 -1.097 1
1 200 . 16 1 1 A 63 63 MET H H 63 7.460 7.661 -0.201 1
1 201 . 16 1 1 A 63 63 MET HA H 63 3.870 3.825 0.045 1
1 206 . 16 1 1 A 63 63 MET C C 63 174.600 177.138 -2.538 1
1 207 . 16 1 1 A 63 63 MET CA C 63 54.400 57.945 -3.545 1
1 208 . 16 1 1 A 63 63 MET CB C 63 27.600 31.700 -4.100 1
1 210 . 16 1 1 A 63 63 MET N N 63 118.500 119.822 -1.322 1
1 211 . 16 1 1 A 64 64 ALA H H 64 8.080 7.369 0.711 1
1 212 . 16 1 1 A 64 64 ALA HA H 64 4.220 4.244 -0.024 1
1 216 . 16 1 1 A 64 64 ALA C C 64 173.800 176.095 -2.295 1
1 217 . 16 1 1 A 64 64 ALA CA C 64 50.400 51.779 -1.379 1
1 218 . 16 1 1 A 64 64 ALA CB C 64 16.500 18.819 -2.319 1
1 219 . 16 1 1 A 64 64 ALA N N 64 117.500 119.632 -2.132 1
1 220 . 16 1 1 A 65 65 SER H H 65 7.460 7.491 -0.031 1
1 221 . 16 1 1 A 65 65 SER HA H 65 4.570 4.536 0.034 1
1 224 . 16 1 1 A 65 65 SER C C 65 171.500 174.282 -2.782 1
1 225 . 16 1 1 A 65 65 SER CA C 65 54.800 56.247 -1.447 1
1 226 . 16 1 1 A 65 65 SER CB C 65 61.800 65.363 -3.563 1
1 227 . 16 1 1 A 65 65 SER N N 65 111.200 114.431 -3.231 1
1 228 . 16 1 1 A 66 66 GLY H H 66 7.480 8.531 -1.051 1
1 229 . 16 1 1 A 66 66 GLY HA2 H 66 3.980 4.058 -0.078 1
1 230 . 16 1 1 A 66 66 GLY HA3 H 66 4.030 4.127 -0.097 1
1 231 . 16 1 1 A 66 66 GLY C C 66 170.600 174.300 -3.700 1
1 232 . 16 1 1 A 66 66 GLY CA C 66 42.000 44.617 -2.617 1
1 233 . 16 1 1 A 66 66 GLY N N 66 108.800 111.890 -3.090 1
1 234 . 16 1 1 A 67 67 PRO HA H 67 4.210 4.304 -0.094 1
1 241 . 16 1 1 A 67 67 PRO CA C 67 62.000 65.623 -3.623 1
1 242 . 16 1 1 A 67 67 PRO CB C 67 28.900 31.032 -2.132 1
1 245 . 16 1 1 A 68 68 CYS H H 68 7.700 8.091 -0.391 1
1 246 . 16 1 1 A 68 68 CYS HA H 68 5.450 4.296 1.154 1
1 249 . 16 1 1 A 68 68 CYS C C 68 173.500 176.657 -3.157 1
1 250 . 16 1 1 A 68 68 CYS CA C 68 49.500 59.104 -9.604 1
1 251 . 16 1 1 A 68 68 CYS CB C 68 36.200 41.431 -5.231 1
1 252 . 16 1 1 A 68 68 CYS N N 68 115.300 114.639 0.661 1
1 253 . 16 1 1 A 69 69 GLY H H 69 7.840 8.387 -0.547 1
1 254 . 16 1 1 A 69 69 GLY HA2 H 69 3.950 3.697 0.253 1
1 255 . 16 1 1 A 69 69 GLY HA3 H 69 3.550 3.734 -0.184 1
1 256 . 16 1 1 A 69 69 GLY C C 69 173.300 175.643 -2.343 1
1 257 . 16 1 1 A 69 69 GLY CA C 69 45.200 47.071 -1.871 1
1 258 . 16 1 1 A 69 69 GLY N N 69 110.200 109.297 0.903 1
1 259 . 16 1 1 A 70 70 GLU H H 70 8.650 8.742 -0.092 1
1 260 . 16 1 1 A 70 70 GLU HA H 70 3.760 4.045 -0.285 1
1 265 . 16 1 1 A 70 70 GLU C C 70 176.800 178.573 -1.773 1
1 266 . 16 1 1 A 70 70 GLU CA C 70 56.300 58.268 -1.968 1
1 267 . 16 1 1 A 70 70 GLU CB C 70 26.000 27.764 -1.764 1
1 269 . 16 1 1 A 70 70 GLU N N 70 120.000 119.732 0.268 1
1 270 . 16 1 1 A 71 71 GLN H H 71 8.860 7.885 0.975 1
1 271 . 16 1 1 A 71 71 GLN HA H 71 3.850 4.090 -0.240 1
1 278 . 16 1 1 A 71 71 GLN C C 71 177.400 178.299 -0.899 1
1 279 . 16 1 1 A 71 71 GLN CA C 71 57.200 58.410 -1.210 1
1 280 . 16 1 1 A 71 71 GLN CB C 71 24.400 28.683 -4.283 1
1 282 . 16 1 1 A 71 71 GLN N N 71 120.800 118.496 2.304 1
1 284 . 16 1 1 A 72 72 PHE H H 72 8.890 7.570 1.320 1
1 285 . 16 1 1 A 72 72 PHE HA H 72 4.200 3.950 0.250 1
1 291 . 16 1 1 A 72 72 PHE C C 72 173.500 177.564 -4.064 1
1 292 . 16 1 1 A 72 72 PHE CA C 72 59.000 61.313 -2.313 1
1 293 . 16 1 1 A 72 72 PHE CB C 72 36.000 38.952 -2.952 1
1 294 . 16 1 1 A 72 72 PHE N N 72 123.400 120.861 2.539 1
1 295 . 16 1 1 A 73 73 LYS H H 73 8.480 8.080 0.400 1
1 296 . 16 1 1 A 73 73 LYS HA H 73 3.430 3.653 -0.223 1
1 304 . 16 1 1 A 73 73 LYS C C 73 177.600 179.082 -1.482 1
1 305 . 16 1 1 A 73 73 LYS CA C 73 56.700 59.453 -2.753 1
1 306 . 16 1 1 A 73 73 LYS CB C 73 29.600 32.076 -2.476 1
1 310 . 16 1 1 A 73 73 LYS N N 73 119.900 118.102 1.798 1
1 311 . 16 1 1 A 74 74 SER H H 74 7.780 7.937 -0.157 1
1 312 . 16 1 1 A 74 74 SER HA H 74 4.120 4.312 -0.192 1
1 315 . 16 1 1 A 74 74 SER C C 74 174.300 177.174 -2.874 1
1 316 . 16 1 1 A 74 74 SER CA C 74 58.700 61.272 -2.572 1
1 317 . 16 1 1 A 74 74 SER CB C 74 59.900 62.592 -2.692 1
1 318 . 16 1 1 A 74 74 SER N N 74 114.200 114.340 -0.140 1
1 319 . 16 1 1 A 75 75 ALA H H 75 7.870 8.098 -0.228 1
1 320 . 16 1 1 A 75 75 ALA HA H 75 3.840 3.844 -0.004 1
1 324 . 16 1 1 A 75 75 ALA C C 75 175.100 179.971 -4.871 1
1 325 . 16 1 1 A 75 75 ALA CA C 75 53.200 54.774 -1.574 1
1 326 . 16 1 1 A 75 75 ALA CB C 75 15.500 18.175 -2.675 1
1 327 . 16 1 1 A 75 75 ALA N N 75 123.100 122.475 0.625 1
1 328 . 16 1 1 A 76 76 PHE H H 76 9.450 7.856 1.594 1
1 329 . 16 1 1 A 76 76 PHE HA H 76 3.700 4.285 -0.585 1
1 334 . 16 1 1 A 76 76 PHE C C 76 174.600 178.237 -3.637 1
1 335 . 16 1 1 A 76 76 PHE CA C 76 59.600 61.468 -1.868 1
1 336 . 16 1 1 A 76 76 PHE CB C 76 35.800 38.963 -3.163 1
1 337 . 16 1 1 A 76 76 PHE N N 76 118.800 118.166 0.634 1
1 338 . 16 1 1 A 77 77 SER H H 77 8.550 8.704 -0.154 1
1 339 . 16 1 1 A 77 77 SER HA H 77 4.130 4.025 0.105 1
1 341 . 16 1 1 A 77 77 SER C C 77 172.200 176.320 -4.120 1
1 342 . 16 1 1 A 77 77 SER CA C 77 60.100 61.486 -1.386 1
1 343 . 16 1 1 A 77 77 SER CB C 77 59.800 62.061 -2.261 1
1 344 . 16 1 1 A 77 77 SER N N 77 113.200 114.191 -0.991 1
1 345 . 16 1 1 A 78 78 CYS H H 78 7.430 8.309 -0.879 1
1 346 . 16 1 1 A 78 78 CYS HA H 78 4.080 3.944 0.136 1
1 349 . 16 1 1 A 78 78 CYS C C 78 174.000 175.930 -1.930 1
1 350 . 16 1 1 A 78 78 CYS CA C 78 57.900 60.325 -2.425 1
1 351 . 16 1 1 A 78 78 CYS CB C 78 36.400 40.767 -4.367 1
1 352 . 16 1 1 A 78 78 CYS N N 78 118.900 119.257 -0.357 1
1 353 . 16 1 1 A 79 79 PHE H H 79 8.270 8.304 -0.034 1
1 354 . 16 1 1 A 79 79 PHE HA H 79 3.740 4.101 -0.361 1
1 359 . 16 1 1 A 79 79 PHE C C 79 173.600 177.742 -4.142 1
1 360 . 16 1 1 A 79 79 PHE CA C 79 59.200 61.534 -2.334 1
1 361 . 16 1 1 A 79 79 PHE CB C 79 37.000 38.878 -1.878 1
1 362 . 16 1 1 A 79 79 PHE N N 79 120.400 121.969 -1.569 1
1 363 . 16 1 1 A 80 80 HIS H H 80 8.840 8.072 0.768 1
1 364 . 16 1 1 A 80 80 HIS HA H 80 3.460 3.973 -0.513 1
1 368 . 16 1 1 A 80 80 HIS C C 80 175.700 176.608 -0.908 1
1 369 . 16 1 1 A 80 80 HIS CA C 80 57.000 58.257 -1.257 1
1 370 . 16 1 1 A 80 80 HIS CB C 80 28.300 28.994 -0.694 1
1 371 . 16 1 1 A 80 80 HIS N N 80 118.400 116.268 2.132 1
1 372 . 16 1 1 A 81 81 TYR H H 81 7.710 7.711 -0.001 1
1 373 . 16 1 1 A 81 81 TYR HA H 81 4.080 4.275 -0.195 1
1 378 . 16 1 1 A 81 81 TYR C C 81 172.400 177.781 -5.381 1
1 379 . 16 1 1 A 81 81 TYR CA C 81 56.100 60.566 -4.466 1
1 380 . 16 1 1 A 81 81 TYR CB C 81 34.800 39.319 -4.519 1
1 381 . 16 1 1 A 81 81 TYR N N 81 113.400 117.692 -4.292 1
1 382 . 16 1 1 A 82 82 SER H H 82 7.070 8.139 -1.069 1
1 383 . 16 1 1 A 82 82 SER HA H 82 4.410 4.356 0.054 1
1 386 . 16 1 1 A 82 82 SER C C 82 174.500 174.338 0.162 1
1 387 . 16 1 1 A 82 82 SER CA C 82 56.300 60.834 -4.534 1
1 388 . 16 1 1 A 82 82 SER CB C 82 59.200 63.777 -4.577 1
1 389 . 16 1 1 A 82 82 SER N N 82 115.600 116.797 -1.197 1
1 390 . 16 1 1 A 83 83 THR H H 83 9.290 7.671 1.619 1
1 391 . 16 1 1 A 83 83 THR HA H 83 4.400 3.809 0.591 1
1 396 . 16 1 1 A 83 83 THR C C 83 172.200 174.412 -2.212 1
1 397 . 16 1 1 A 83 83 THR CA C 83 57.500 63.486 -5.986 1
1 398 . 16 1 1 A 83 83 THR CB C 83 65.800 66.723 -0.923 1
1 400 . 16 1 1 A 83 83 THR N N 83 120.400 114.705 5.695 1
1 401 . 16 1 1 A 84 84 GLU H H 84 7.170 8.152 -0.982 1
1 402 . 16 1 1 A 84 84 GLU HA H 84 3.860 4.175 -0.315 1
1 406 . 16 1 1 A 84 84 GLU C C 84 173.300 176.101 -2.801 1
1 407 . 16 1 1 A 84 84 GLU CA C 84 53.100 59.429 -6.329 1
1 408 . 16 1 1 A 84 84 GLU CB C 84 28.400 30.099 -1.699 1
1 410 . 16 1 1 A 84 84 GLU N N 84 121.600 121.515 0.085 1
1 411 . 16 1 1 A 85 85 GLU H H 85 8.390 7.806 0.584 1
1 412 . 16 1 1 A 85 85 GLU HA H 85 3.730 4.524 -0.794 1
1 417 . 16 1 1 A 85 85 GLU C C 85 175.500 176.206 -0.706 1
1 418 . 16 1 1 A 85 85 GLU CA C 85 56.700 57.906 -1.206 1
1 419 . 16 1 1 A 85 85 GLU CB C 85 26.900 32.208 -5.308 1
1 421 . 16 1 1 A 85 85 GLU N N 85 121.800 114.970 6.830 1
1 422 . 16 1 1 A 86 86 ILE H H 86 8.060 8.240 -0.180 1
1 423 . 16 1 1 A 86 86 ILE HA H 86 4.060 3.993 0.067 1
1 433 . 16 1 1 A 86 86 ILE C C 86 172.400 175.739 -3.339 1
1 434 . 16 1 1 A 86 86 ILE CA C 86 56.800 61.432 -4.632 1
1 435 . 16 1 1 A 86 86 ILE CB C 86 32.700 37.838 -5.138 1
1 439 . 16 1 1 A 86 86 ILE N N 86 117.800 120.780 -2.980 1
1 440 . 16 1 1 A 87 87 LYS H H 87 8.200 8.403 -0.203 1
1 441 . 16 1 1 A 87 87 LYS HA H 87 3.470 2.159 1.311 1
1 450 . 16 1 1 A 87 87 LYS C C 87 175.200 176.878 -1.678 1
1 451 . 16 1 1 A 87 87 LYS CA C 87 56.800 57.833 -1.033 1
1 452 . 16 1 1 A 87 87 LYS CB C 87 30.300 31.688 -1.388 1
1 456 . 16 1 1 A 87 87 LYS N N 87 130.300 125.569 4.731 1
1 457 . 16 1 1 A 88 88 GLY H H 88 8.820 8.435 0.385 1
1 458 . 16 1 1 A 88 88 GLY HA2 H 88 4.440 2.713 1.727 1
1 459 . 16 1 1 A 88 88 GLY HA3 H 88 3.560 3.878 -0.318 1
1 460 . 16 1 1 A 88 88 GLY C C 88 172.800 175.105 -2.305 1
1 461 . 16 1 1 A 88 88 GLY CA C 88 42.800 45.121 -2.321 1
1 462 . 16 1 1 A 88 88 GLY N N 88 110.400 113.437 -3.037 1
1 463 . 16 1 1 A 89 89 SER H H 89 8.570 8.272 0.298 1
1 464 . 16 1 1 A 89 89 SER HA H 89 4.040 4.129 -0.089 1
1 467 . 16 1 1 A 89 89 SER C C 89 171.300 174.832 -3.532 1
1 468 . 16 1 1 A 89 89 SER CA C 89 58.200 61.276 -3.076 1
1 469 . 16 1 1 A 89 89 SER CB C 89 59.200 62.731 -3.531 1
1 470 . 16 1 1 A 89 89 SER N N 89 118.000 115.606 2.394 1
1 471 . 16 1 1 A 90 90 ASP H H 90 10.480 8.327 2.153 1
1 472 . 16 1 1 A 90 90 ASP HA H 90 4.580 4.711 -0.131 1
1 475 . 16 1 1 A 90 90 ASP C C 90 173.500 176.842 -3.342 1
1 476 . 16 1 1 A 90 90 ASP CA C 90 50.500 53.560 -3.060 1
1 477 . 16 1 1 A 90 90 ASP CB C 90 34.900 41.266 -6.366 1
1 478 . 16 1 1 A 90 90 ASP N N 90 116.400 118.668 -2.268 1
1 479 . 16 1 1 A 91 91 CYS H H 91 7.420 7.800 -0.380 1
1 480 . 16 1 1 A 91 91 CYS HA H 91 5.180 5.030 0.150 1
1 483 . 16 1 1 A 91 91 CYS C C 91 172.800 174.265 -1.465 1
1 484 . 16 1 1 A 91 91 CYS CA C 91 50.600 55.969 -5.369 1
1 485 . 16 1 1 A 91 91 CYS CB C 91 38.000 43.839 -5.839 1
1 486 . 16 1 1 A 91 91 CYS N N 91 117.300 117.567 -0.267 1
1 487 . 16 1 1 A 92 92 VAL H H 92 7.320 7.591 -0.271 1
1 488 . 16 1 1 A 92 92 VAL HA H 92 3.470 3.598 -0.128 1
1 496 . 16 1 1 A 92 92 VAL C C 92 175.700 177.809 -2.109 1
1 497 . 16 1 1 A 92 92 VAL CA C 92 64.000 66.215 -2.215 1
1 498 . 16 1 1 A 92 92 VAL CB C 92 29.300 31.557 -2.257 1
1 501 . 16 1 1 A 92 92 VAL N N 92 120.500 122.108 -1.608 1
1 502 . 16 1 1 A 93 93 ASP H H 93 8.870 8.278 0.592 1
1 503 . 16 1 1 A 93 93 ASP HA H 93 4.280 4.290 -0.010 1
1 505 . 16 1 1 A 93 93 ASP C C 93 176.500 178.487 -1.987 1
1 506 . 16 1 1 A 93 93 ASP CA C 93 55.100 57.739 -2.639 1
1 507 . 16 1 1 A 93 93 ASP CB C 93 36.800 42.267 -5.467 1
1 508 . 16 1 1 A 93 93 ASP N N 93 120.500 120.451 0.049 1
1 509 . 16 1 1 A 94 94 GLN H H 94 9.140 8.176 0.964 1
1 510 . 16 1 1 A 94 94 GLN HA H 94 3.920 4.032 -0.112 1
1 517 . 16 1 1 A 94 94 GLN C C 94 178.100 179.127 -1.027 1
1 518 . 16 1 1 A 94 94 GLN CA C 94 57.100 59.245 -2.145 1
1 519 . 16 1 1 A 94 94 GLN CB C 94 24.500 28.015 -3.515 1
1 521 . 16 1 1 A 94 94 GLN N N 94 121.800 117.723 4.077 1
1 523 . 16 1 1 A 95 95 PHE H H 95 8.920 8.342 0.578 1
1 524 . 16 1 1 A 95 95 PHE HA H 95 4.130 4.289 -0.159 1
1 529 . 16 1 1 A 95 95 PHE C C 95 175.100 178.223 -3.123 1
1 530 . 16 1 1 A 95 95 PHE CA C 95 57.500 60.865 -3.365 1
1 531 . 16 1 1 A 95 95 PHE CB C 95 34.500 38.706 -4.206 1
1 532 . 16 1 1 A 95 95 PHE N N 95 122.500 119.571 2.929 1
1 533 . 16 1 1 A 96 96 ARG H H 96 8.500 8.335 0.165 1
1 534 . 16 1 1 A 96 96 ARG HA H 96 4.040 3.945 0.095 1
1 540 . 16 1 1 A 96 96 ARG C C 96 175.700 178.152 -2.452 1
1 541 . 16 1 1 A 96 96 ARG CA C 96 56.800 59.867 -3.067 1
1 542 . 16 1 1 A 96 96 ARG CB C 96 26.800 29.781 -2.981 1
1 545 . 16 1 1 A 96 96 ARG N N 96 121.600 121.036 0.564 1
1 546 . 16 1 1 A 97 97 ALA H H 97 7.960 8.479 -0.519 1
1 547 . 16 1 1 A 97 97 ALA HA H 97 4.110 4.061 0.049 1
1 551 . 16 1 1 A 97 97 ALA C C 97 178.600 179.812 -1.212 1
1 552 . 16 1 1 A 97 97 ALA CA C 97 52.100 55.252 -3.152 1
1 553 . 16 1 1 A 97 97 ALA CB C 97 15.200 18.018 -2.818 1
1 554 . 16 1 1 A 97 97 ALA N N 97 120.300 121.227 -0.927 1
1 555 . 16 1 1 A 98 98 MET H H 98 7.600 8.317 -0.717 1
1 556 . 16 1 1 A 98 98 MET HA H 98 3.830 4.049 -0.219 1
1 559 . 16 1 1 A 98 98 MET C C 98 173.900 178.197 -4.297 1
1 560 . 16 1 1 A 98 98 MET CA C 98 56.400 58.235 -1.835 1
1 561 . 16 1 1 A 98 98 MET CB C 98 30.100 31.882 -1.782 1
1 563 . 16 1 1 A 98 98 MET N N 98 118.400 118.794 -0.394 1
1 564 . 16 1 1 A 99 99 GLN H H 99 8.410 8.375 0.035 1
1 565 . 16 1 1 A 99 99 GLN HA H 99 3.800 3.994 -0.194 1
1 569 . 16 1 1 A 99 99 GLN C C 99 173.400 178.358 -4.958 1
1 570 . 16 1 1 A 99 99 GLN CA C 99 56.800 59.395 -2.595 1
1 571 . 16 1 1 A 99 99 GLN CB C 99 25.900 28.240 -2.340 1
1 573 . 16 1 1 A 99 99 GLN N N 99 120.800 119.272 1.528 1
1 574 . 16 1 1 A 100 100 GLU H H 100 8.510 8.728 -0.218 1
1 575 . 16 1 1 A 100 100 GLU HA H 100 3.820 3.984 -0.164 1
1 580 . 16 1 1 A 100 100 GLU C C 100 175.900 178.743 -2.843 1
1 581 . 16 1 1 A 100 100 GLU CA C 100 56.500 59.539 -3.039 1
1 582 . 16 1 1 A 100 100 GLU CB C 100 26.900 28.494 -1.594 1
1 584 . 16 1 1 A 100 100 GLU N N 100 117.600 116.708 0.892 1
1 585 . 16 1 1 A 101 101 CYS H H 101 7.310 7.750 -0.440 1
1 586 . 16 1 1 A 101 101 CYS HA H 101 4.230 3.982 0.248 1
1 589 . 16 1 1 A 101 101 CYS C C 101 173.800 176.299 -2.499 1
1 590 . 16 1 1 A 101 101 CYS CA C 101 57.800 59.349 -1.549 1
1 591 . 16 1 1 A 101 101 CYS CB C 101 36.500 41.954 -5.454 1
1 592 . 16 1 1 A 101 101 CYS N N 101 117.800 118.767 -0.967 1
1 593 . 16 1 1 A 102 102 MET H H 102 8.400 8.472 -0.072 1
1 594 . 16 1 1 A 102 102 MET HA H 102 3.820 4.406 -0.586 1
1 599 . 16 1 1 A 102 102 MET C C 102 177.100 177.706 -0.606 1
1 600 . 16 1 1 A 102 102 MET CA C 102 57.100 57.153 -0.053 1
1 601 . 16 1 1 A 102 102 MET CB C 102 30.200 31.387 -1.187 1
1 603 . 16 1 1 A 102 102 MET N N 102 119.100 119.722 -0.622 1
1 604 . 16 1 1 A 103 103 GLN H H 103 7.850 8.378 -0.528 1
1 605 . 16 1 1 A 103 103 GLN HA H 103 3.960 4.081 -0.121 1
1 612 . 16 1 1 A 103 103 GLN C C 103 174.000 177.724 -3.724 1
1 613 . 16 1 1 A 103 103 GLN CA C 103 55.000 58.538 -3.538 1
1 614 . 16 1 1 A 103 103 GLN CB C 103 25.900 27.818 -1.918 1
1 616 . 16 1 1 A 103 103 GLN N N 103 117.200 117.862 -0.662 1
1 618 . 16 1 1 A 104 104 LYS H H 104 7.470 7.925 -0.455 1
1 619 . 16 1 1 A 104 104 LYS HA H 104 3.880 4.227 -0.347 1
1 626 . 16 1 1 A 104 104 LYS C C 104 173.200 176.468 -3.268 1
1 627 . 16 1 1 A 104 104 LYS CA C 104 54.600 58.461 -3.861 1
1 628 . 16 1 1 A 104 104 LYS CB C 104 29.600 33.064 -3.464 1
1 632 . 16 1 1 A 104 104 LYS N N 104 116.700 118.444 -1.744 1
1 633 . 16 1 1 A 105 105 TYR H H 105 7.390 8.175 -0.785 1
1 634 . 16 1 1 A 105 105 TYR HA H 105 5.040 5.090 -0.050 1
1 639 . 16 1 1 A 105 105 TYR C C 105 170.800 174.713 -3.913 1
1 640 . 16 1 1 A 105 105 TYR CA C 105 52.300 55.182 -2.882 1
1 641 . 16 1 1 A 105 105 TYR CB C 105 36.700 38.587 -1.887 1
1 642 . 16 1 1 A 105 105 TYR N N 105 115.700 117.597 -1.897 1
1 643 . 16 1 1 A 106 106 PRO HA H 106 4.470 4.634 -0.164 1
1 650 . 16 1 1 A 106 106 PRO CA C 106 61.800 64.060 -2.260 1
1 651 . 16 1 1 A 106 106 PRO CB C 106 29.000 31.945 -2.945 1
1 654 . 16 1 1 A 107 107 ASP H H 107 8.750 7.713 1.037 1
1 655 . 16 1 1 A 107 107 ASP HA H 107 4.310 4.298 0.012 1
1 658 . 16 1 1 A 107 107 ASP C C 107 174.000 175.376 -1.376 1
1 659 . 16 1 1 A 107 107 ASP CA C 107 52.200 52.931 -0.731 1
1 660 . 16 1 1 A 107 107 ASP CB C 107 36.800 41.877 -5.077 1
1 661 . 16 1 1 A 107 107 ASP N N 107 114.800 118.896 -4.096 1
1 662 . 16 1 1 A 108 108 LEU H H 108 7.270 7.347 -0.077 1
1 663 . 16 1 1 A 108 108 LEU HA H 108 4.030 4.049 -0.019 1
1 673 . 16 1 1 A 108 108 LEU C C 108 173.800 176.781 -2.981 1
1 674 . 16 1 1 A 108 108 LEU CA C 108 52.500 55.786 -3.286 1
1 675 . 16 1 1 A 108 108 LEU CB C 108 40.000 41.108 -1.108 1
1 679 . 16 1 1 A 108 108 LEU N N 108 118.900 118.763 0.137 1
1 7 . 17 1 1 A 46 46 LEU HA H 46 3.970 4.389 -0.419 1
1 17 . 17 1 1 A 46 46 LEU CA C 46 55.000 54.877 0.123 1
1 18 . 17 1 1 A 46 46 LEU CB C 46 40.300 41.530 -1.230 1
1 22 . 17 1 1 A 47 47 ILE H H 47 7.570 7.459 0.111 1
1 23 . 17 1 1 A 47 47 ILE HA H 47 4.270 4.345 -0.075 1
1 33 . 17 1 1 A 47 47 ILE C C 47 174.500 175.567 -1.067 1
1 34 . 17 1 1 A 47 47 ILE CA C 47 54.600 59.736 -5.136 1
1 35 . 17 1 1 A 47 47 ILE CB C 47 34.500 39.657 -5.157 1
1 39 . 17 1 1 A 47 47 ILE N N 47 115.000 121.458 -6.458 1
1 40 . 17 1 1 A 48 48 LEU H H 48 8.760 8.677 0.083 1
1 41 . 17 1 1 A 48 48 LEU HA H 48 4.260 4.321 -0.061 1
1 51 . 17 1 1 A 48 48 LEU C C 48 174.400 176.869 -2.469 1
1 52 . 17 1 1 A 48 48 LEU CA C 48 51.200 53.309 -2.109 1
1 53 . 17 1 1 A 48 48 LEU CB C 48 37.800 41.134 -3.334 1
1 57 . 17 1 1 A 48 48 LEU N N 48 127.400 127.011 0.389 1
1 58 . 17 1 1 A 49 49 PRO HA H 49 4.170 4.413 -0.243 1
1 63 . 17 1 1 A 49 49 PRO CA C 49 62.500 64.768 -2.268 1
1 64 . 17 1 1 A 49 49 PRO CB C 49 28.900 31.886 -2.986 1
1 67 . 17 1 1 A 50 50 ASN H H 50 7.180 7.767 -0.587 1
1 68 . 17 1 1 A 50 50 ASN HA H 50 4.420 4.612 -0.192 1
1 73 . 17 1 1 A 50 50 ASN C C 50 173.700 176.603 -2.903 1
1 74 . 17 1 1 A 50 50 ASN CA C 50 49.500 52.364 -2.864 1
1 75 . 17 1 1 A 50 50 ASN CB C 50 34.400 37.307 -2.907 1
1 76 . 17 1 1 A 50 50 ASN N N 50 111.000 112.695 -1.695 1
1 78 . 17 1 1 A 51 51 GLY H H 51 8.370 8.061 0.309 1
1 79 . 17 1 1 A 51 51 GLY HA2 H 51 4.220 3.952 0.268 1
1 80 . 17 1 1 A 51 51 GLY HA3 H 51 3.400 3.981 -0.581 1
1 81 . 17 1 1 A 51 51 GLY C C 51 171.500 174.124 -2.624 1
1 82 . 17 1 1 A 51 51 GLY CA C 51 42.200 45.345 -3.145 1
1 83 . 17 1 1 A 51 51 GLY N N 51 108.400 109.362 -0.962 1
1 84 . 17 1 1 A 52 52 ASN H H 52 7.810 8.069 -0.259 1
1 85 . 17 1 1 A 52 52 ASN HA H 52 4.670 4.960 -0.290 1
1 90 . 17 1 1 A 52 52 ASN C C 52 170.900 175.078 -4.178 1
1 91 . 17 1 1 A 52 52 ASN CA C 52 49.400 53.382 -3.982 1
1 92 . 17 1 1 A 52 52 ASN CB C 52 36.100 40.004 -3.904 1
1 93 . 17 1 1 A 52 52 ASN N N 52 119.100 119.977 -0.877 1
1 95 . 17 1 1 A 53 53 ILE H H 53 8.070 8.221 -0.151 1
1 96 . 17 1 1 A 53 53 ILE HA H 53 3.470 3.874 -0.404 1
1 106 . 17 1 1 A 53 53 ILE C C 53 172.300 174.616 -2.316 1
1 107 . 17 1 1 A 53 53 ILE CA C 53 59.100 60.171 -1.071 1
1 108 . 17 1 1 A 53 53 ILE CB C 53 36.000 37.669 -1.669 1
1 112 . 17 1 1 A 53 53 ILE N N 53 120.100 123.524 -3.424 1
1 113 . 17 1 1 A 54 54 ASN H H 54 8.700 8.095 0.605 1
1 114 . 17 1 1 A 54 54 ASN HA H 54 4.350 4.570 -0.220 1
1 119 . 17 1 1 A 54 54 ASN C C 54 172.300 175.771 -3.471 1
1 120 . 17 1 1 A 54 54 ASN CA C 54 47.500 51.704 -4.204 1
1 121 . 17 1 1 A 54 54 ASN CB C 54 34.200 37.402 -3.202 1
1 122 . 17 1 1 A 54 54 ASN N N 54 123.200 124.476 -1.276 1
1 124 . 17 1 1 A 55 55 TRP H H 55 7.520 7.528 -0.008 1
1 125 . 17 1 1 A 55 55 TRP HA H 55 4.300 4.607 -0.307 1
1 134 . 17 1 1 A 55 55 TRP C C 55 172.100 177.391 -5.291 1
1 135 . 17 1 1 A 55 55 TRP CA C 55 55.200 58.633 -3.433 1
1 136 . 17 1 1 A 55 55 TRP CB C 55 26.400 28.490 -2.090 1
1 137 . 17 1 1 A 55 55 TRP N N 55 124.600 124.801 -0.201 1
1 138 . 17 1 1 A 56 56 ASN H H 56 7.380 7.971 -0.591 1
1 139 . 17 1 1 A 56 56 ASN HA H 56 4.720 4.956 -0.236 1
1 144 . 17 1 1 A 56 56 ASN C C 56 172.100 174.999 -2.899 1
1 145 . 17 1 1 A 56 56 ASN CA C 56 49.500 52.779 -3.279 1
1 146 . 17 1 1 A 56 56 ASN CB C 56 36.200 40.094 -3.894 1
1 147 . 17 1 1 A 56 56 ASN N N 56 112.500 116.216 -3.716 1
1 149 . 17 1 1 A 57 57 CYS H H 57 7.460 7.597 -0.137 1
1 150 . 17 1 1 A 57 57 CYS HA H 57 4.280 4.451 -0.171 1
1 153 . 17 1 1 A 57 57 CYS C C 57 173.000 173.212 -0.212 1
1 154 . 17 1 1 A 57 57 CYS CA C 57 54.900 58.524 -3.624 1
1 155 . 17 1 1 A 57 57 CYS CB C 57 25.000 27.680 -2.680 1
1 156 . 17 1 1 A 57 57 CYS N N 57 123.000 119.870 3.130 1
1 157 . 17 1 1 A 58 58 PRO HA H 58 4.200 4.347 -0.147 1
1 162 . 17 1 1 A 58 58 PRO CA C 58 62.700 63.701 -1.001 1
1 163 . 17 1 1 A 58 58 PRO CB C 58 29.300 31.335 -2.035 1
1 166 . 17 1 1 A 59 59 CYS HA H 59 4.390 4.371 0.019 1
1 168 . 17 1 1 A 59 59 CYS CA C 59 57.000 60.882 -3.882 1
1 169 . 17 1 1 A 59 59 CYS CB C 59 24.400 27.439 -3.039 1
1 170 . 17 1 1 A 60 60 LEU H H 60 7.500 8.460 -0.960 1
1 171 . 17 1 1 A 60 60 LEU HA H 60 4.180 4.044 0.136 1
1 181 . 17 1 1 A 60 60 LEU C C 60 175.700 178.569 -2.869 1
1 182 . 17 1 1 A 60 60 LEU CA C 60 52.000 57.964 -5.964 1
1 183 . 17 1 1 A 60 60 LEU CB C 60 39.000 41.977 -2.977 1
1 187 . 17 1 1 A 60 60 LEU N N 60 117.700 123.370 -5.670 1
1 188 . 17 1 1 A 61 61 GLY H H 61 7.880 8.618 -0.738 1
1 189 . 17 1 1 A 61 61 GLY HA2 H 61 3.830 3.801 0.029 1
1 190 . 17 1 1 A 61 61 GLY HA3 H 61 3.680 3.902 -0.222 1
1 191 . 17 1 1 A 61 61 GLY C C 61 172.700 176.219 -3.519 1
1 192 . 17 1 1 A 61 61 GLY CA C 61 44.700 47.281 -2.581 1
1 193 . 17 1 1 A 61 61 GLY N N 61 105.700 106.593 -0.893 1
1 194 . 17 1 1 A 62 62 GLY H H 62 8.580 8.286 0.294 1
1 195 . 17 1 1 A 62 62 GLY HA2 H 62 3.810 3.736 0.074 1
1 196 . 17 1 1 A 62 62 GLY HA3 H 62 3.680 3.736 -0.056 1
1 197 . 17 1 1 A 62 62 GLY C C 62 174.000 176.052 -2.052 1
1 198 . 17 1 1 A 62 62 GLY CA C 62 42.800 46.921 -4.121 1
1 199 . 17 1 1 A 62 62 GLY N N 62 108.500 109.808 -1.308 1
1 200 . 17 1 1 A 63 63 MET H H 63 7.460 8.042 -0.582 1
1 201 . 17 1 1 A 63 63 MET HA H 63 3.870 3.779 0.091 1
1 206 . 17 1 1 A 63 63 MET C C 63 174.600 177.321 -2.721 1
1 207 . 17 1 1 A 63 63 MET CA C 63 54.400 57.644 -3.244 1
1 208 . 17 1 1 A 63 63 MET CB C 63 27.600 30.550 -2.950 1
1 210 . 17 1 1 A 63 63 MET N N 63 118.500 119.680 -1.180 1
1 211 . 17 1 1 A 64 64 ALA H H 64 8.080 7.109 0.971 1
1 212 . 17 1 1 A 64 64 ALA HA H 64 4.220 4.166 0.054 1
1 216 . 17 1 1 A 64 64 ALA C C 64 173.800 176.567 -2.767 1
1 217 . 17 1 1 A 64 64 ALA CA C 64 50.400 51.961 -1.561 1
1 218 . 17 1 1 A 64 64 ALA CB C 64 16.500 19.032 -2.532 1
1 219 . 17 1 1 A 64 64 ALA N N 64 117.500 120.246 -2.746 1
1 220 . 17 1 1 A 65 65 SER H H 65 7.460 7.592 -0.132 1
1 221 . 17 1 1 A 65 65 SER HA H 65 4.570 4.473 0.097 1
1 224 . 17 1 1 A 65 65 SER C C 65 171.500 174.364 -2.864 1
1 225 . 17 1 1 A 65 65 SER CA C 65 54.800 57.008 -2.208 1
1 226 . 17 1 1 A 65 65 SER CB C 65 61.800 65.236 -3.436 1
1 227 . 17 1 1 A 65 65 SER N N 65 111.200 115.139 -3.939 1
1 228 . 17 1 1 A 66 66 GLY H H 66 7.480 8.592 -1.112 1
1 229 . 17 1 1 A 66 66 GLY HA2 H 66 3.980 3.971 0.009 1
1 230 . 17 1 1 A 66 66 GLY HA3 H 66 4.030 4.054 -0.024 1
1 231 . 17 1 1 A 66 66 GLY C C 66 170.600 174.264 -3.664 1
1 232 . 17 1 1 A 66 66 GLY CA C 66 42.000 44.640 -2.640 1
1 233 . 17 1 1 A 66 66 GLY N N 66 108.800 110.847 -2.047 1
1 234 . 17 1 1 A 67 67 PRO HA H 67 4.210 4.259 -0.049 1
1 241 . 17 1 1 A 67 67 PRO CA C 67 62.000 65.037 -3.037 1
1 242 . 17 1 1 A 67 67 PRO CB C 67 28.900 31.040 -2.140 1
1 245 . 17 1 1 A 68 68 CYS H H 68 7.700 7.707 -0.007 1
1 246 . 17 1 1 A 68 68 CYS HA H 68 5.450 4.401 1.049 1
1 249 . 17 1 1 A 68 68 CYS C C 68 173.500 176.417 -2.917 1
1 250 . 17 1 1 A 68 68 CYS CA C 68 49.500 58.953 -9.453 1
1 251 . 17 1 1 A 68 68 CYS CB C 68 36.200 41.814 -5.614 1
1 252 . 17 1 1 A 68 68 CYS N N 68 115.300 114.620 0.680 1
1 253 . 17 1 1 A 69 69 GLY H H 69 7.840 7.960 -0.120 1
1 254 . 17 1 1 A 69 69 GLY HA2 H 69 3.950 3.706 0.244 1
1 255 . 17 1 1 A 69 69 GLY HA3 H 69 3.550 3.744 -0.194 1
1 256 . 17 1 1 A 69 69 GLY C C 69 173.300 176.079 -2.779 1
1 257 . 17 1 1 A 69 69 GLY CA C 69 45.200 46.963 -1.763 1
1 258 . 17 1 1 A 69 69 GLY N N 69 110.200 109.382 0.818 1
1 259 . 17 1 1 A 70 70 GLU H H 70 8.650 8.837 -0.187 1
1 260 . 17 1 1 A 70 70 GLU HA H 70 3.760 3.937 -0.177 1
1 265 . 17 1 1 A 70 70 GLU C C 70 176.800 178.629 -1.829 1
1 266 . 17 1 1 A 70 70 GLU CA C 70 56.300 59.398 -3.098 1
1 267 . 17 1 1 A 70 70 GLU CB C 70 26.000 29.015 -3.015 1
1 269 . 17 1 1 A 70 70 GLU N N 70 120.000 120.924 -0.924 1
1 270 . 17 1 1 A 71 71 GLN H H 71 8.860 7.643 1.217 1
1 271 . 17 1 1 A 71 71 GLN HA H 71 3.850 4.034 -0.184 1
1 278 . 17 1 1 A 71 71 GLN C C 71 177.400 178.254 -0.854 1
1 279 . 17 1 1 A 71 71 GLN CA C 71 57.200 58.574 -1.374 1
1 280 . 17 1 1 A 71 71 GLN CB C 71 24.400 28.539 -4.139 1
1 282 . 17 1 1 A 71 71 GLN N N 71 120.800 119.055 1.745 1
1 284 . 17 1 1 A 72 72 PHE H H 72 8.890 7.893 0.997 1
1 285 . 17 1 1 A 72 72 PHE HA H 72 4.200 4.069 0.131 1
1 291 . 17 1 1 A 72 72 PHE C C 72 173.500 177.367 -3.867 1
1 292 . 17 1 1 A 72 72 PHE CA C 72 59.000 61.257 -2.257 1
1 293 . 17 1 1 A 72 72 PHE CB C 72 36.000 39.058 -3.058 1
1 294 . 17 1 1 A 72 72 PHE N N 72 123.400 120.393 3.007 1
1 295 . 17 1 1 A 73 73 LYS H H 73 8.480 8.123 0.357 1
1 296 . 17 1 1 A 73 73 LYS HA H 73 3.430 3.519 -0.089 1
1 304 . 17 1 1 A 73 73 LYS C C 73 177.600 179.082 -1.482 1
1 305 . 17 1 1 A 73 73 LYS CA C 73 56.700 59.299 -2.599 1
1 306 . 17 1 1 A 73 73 LYS CB C 73 29.600 31.730 -2.130 1
1 310 . 17 1 1 A 73 73 LYS N N 73 119.900 117.999 1.901 1
1 311 . 17 1 1 A 74 74 SER H H 74 7.780 7.557 0.223 1
1 312 . 17 1 1 A 74 74 SER HA H 74 4.120 4.216 -0.096 1
1 315 . 17 1 1 A 74 74 SER C C 74 174.300 177.313 -3.013 1
1 316 . 17 1 1 A 74 74 SER CA C 74 58.700 61.563 -2.863 1
1 317 . 17 1 1 A 74 74 SER CB C 74 59.900 62.873 -2.973 1
1 318 . 17 1 1 A 74 74 SER N N 74 114.200 114.702 -0.502 1
1 319 . 17 1 1 A 75 75 ALA H H 75 7.870 8.093 -0.223 1
1 320 . 17 1 1 A 75 75 ALA HA H 75 3.840 3.838 0.002 1
1 324 . 17 1 1 A 75 75 ALA C C 75 175.100 180.110 -5.010 1
1 325 . 17 1 1 A 75 75 ALA CA C 75 53.200 54.808 -1.608 1
1 326 . 17 1 1 A 75 75 ALA CB C 75 15.500 17.853 -2.353 1
1 327 . 17 1 1 A 75 75 ALA N N 75 123.100 122.249 0.851 1
1 328 . 17 1 1 A 76 76 PHE H H 76 9.450 7.986 1.464 1
1 329 . 17 1 1 A 76 76 PHE HA H 76 3.700 4.470 -0.770 1
1 334 . 17 1 1 A 76 76 PHE C C 76 174.600 178.426 -3.826 1
1 335 . 17 1 1 A 76 76 PHE CA C 76 59.600 60.376 -0.776 1
1 336 . 17 1 1 A 76 76 PHE CB C 76 35.800 38.563 -2.763 1
1 337 . 17 1 1 A 76 76 PHE N N 76 118.800 116.486 2.314 1
1 338 . 17 1 1 A 77 77 SER H H 77 8.550 8.174 0.376 1
1 339 . 17 1 1 A 77 77 SER HA H 77 4.130 3.883 0.247 1
1 341 . 17 1 1 A 77 77 SER C C 77 172.200 175.971 -3.771 1
1 342 . 17 1 1 A 77 77 SER CA C 77 60.100 61.765 -1.665 1
1 343 . 17 1 1 A 77 77 SER CB C 77 59.800 62.475 -2.675 1
1 344 . 17 1 1 A 77 77 SER N N 77 113.200 114.436 -1.236 1
1 345 . 17 1 1 A 78 78 CYS H H 78 7.430 8.529 -1.099 1
1 346 . 17 1 1 A 78 78 CYS HA H 78 4.080 4.155 -0.075 1
1 349 . 17 1 1 A 78 78 CYS C C 78 174.000 175.913 -1.913 1
1 350 . 17 1 1 A 78 78 CYS CA C 78 57.900 60.404 -2.504 1
1 351 . 17 1 1 A 78 78 CYS CB C 78 36.400 41.067 -4.667 1
1 352 . 17 1 1 A 78 78 CYS N N 78 118.900 120.157 -1.257 1
1 353 . 17 1 1 A 79 79 PHE H H 79 8.270 8.266 0.004 1
1 354 . 17 1 1 A 79 79 PHE HA H 79 3.740 4.210 -0.470 1
1 359 . 17 1 1 A 79 79 PHE C C 79 173.600 177.398 -3.798 1
1 360 . 17 1 1 A 79 79 PHE CA C 79 59.200 61.540 -2.340 1
1 361 . 17 1 1 A 79 79 PHE CB C 79 37.000 39.388 -2.388 1
1 362 . 17 1 1 A 79 79 PHE N N 79 120.400 121.757 -1.357 1
1 363 . 17 1 1 A 80 80 HIS H H 80 8.840 8.442 0.398 1
1 364 . 17 1 1 A 80 80 HIS HA H 80 3.460 4.005 -0.545 1
1 368 . 17 1 1 A 80 80 HIS C C 80 175.700 176.682 -0.982 1
1 369 . 17 1 1 A 80 80 HIS CA C 80 57.000 58.556 -1.556 1
1 370 . 17 1 1 A 80 80 HIS CB C 80 28.300 29.160 -0.860 1
1 371 . 17 1 1 A 80 80 HIS N N 80 118.400 116.783 1.617 1
1 372 . 17 1 1 A 81 81 TYR H H 81 7.710 7.750 -0.040 1
1 373 . 17 1 1 A 81 81 TYR HA H 81 4.080 4.328 -0.248 1
1 378 . 17 1 1 A 81 81 TYR C C 81 172.400 178.176 -5.776 1
1 379 . 17 1 1 A 81 81 TYR CA C 81 56.100 60.651 -4.551 1
1 380 . 17 1 1 A 81 81 TYR CB C 81 34.800 39.531 -4.731 1
1 381 . 17 1 1 A 81 81 TYR N N 81 113.400 117.765 -4.365 1
1 382 . 17 1 1 A 82 82 SER H H 82 7.070 8.053 -0.983 1
1 383 . 17 1 1 A 82 82 SER HA H 82 4.410 4.293 0.117 1
1 386 . 17 1 1 A 82 82 SER C C 82 174.500 174.374 0.126 1
1 387 . 17 1 1 A 82 82 SER CA C 82 56.300 61.199 -4.899 1
1 388 . 17 1 1 A 82 82 SER CB C 82 59.200 63.254 -4.054 1
1 389 . 17 1 1 A 82 82 SER N N 82 115.600 116.838 -1.238 1
1 390 . 17 1 1 A 83 83 THR H H 83 9.290 7.952 1.338 1
1 391 . 17 1 1 A 83 83 THR HA H 83 4.400 3.911 0.489 1
1 396 . 17 1 1 A 83 83 THR C C 83 172.200 174.778 -2.578 1
1 397 . 17 1 1 A 83 83 THR CA C 83 57.500 63.822 -6.322 1
1 398 . 17 1 1 A 83 83 THR CB C 83 65.800 66.858 -1.058 1
1 400 . 17 1 1 A 83 83 THR N N 83 120.400 114.118 6.282 1
1 401 . 17 1 1 A 84 84 GLU H H 84 7.170 8.256 -1.086 1
1 402 . 17 1 1 A 84 84 GLU HA H 84 3.860 4.068 -0.208 1
1 406 . 17 1 1 A 84 84 GLU C C 84 173.300 177.096 -3.796 1
1 407 . 17 1 1 A 84 84 GLU CA C 84 53.100 59.426 -6.326 1
1 408 . 17 1 1 A 84 84 GLU CB C 84 28.400 29.751 -1.351 1
1 410 . 17 1 1 A 84 84 GLU N N 84 121.600 121.699 -0.099 1
1 411 . 17 1 1 A 85 85 GLU H H 85 8.390 7.710 0.680 1
1 412 . 17 1 1 A 85 85 GLU HA H 85 3.730 4.450 -0.720 1
1 417 . 17 1 1 A 85 85 GLU C C 85 175.500 176.287 -0.787 1
1 418 . 17 1 1 A 85 85 GLU CA C 85 56.700 57.081 -0.381 1
1 419 . 17 1 1 A 85 85 GLU CB C 85 26.900 31.284 -4.384 1
1 421 . 17 1 1 A 85 85 GLU N N 85 121.800 113.533 8.267 1
1 422 . 17 1 1 A 86 86 ILE H H 86 8.060 8.301 -0.241 1
1 423 . 17 1 1 A 86 86 ILE HA H 86 4.060 4.221 -0.161 1
1 433 . 17 1 1 A 86 86 ILE C C 86 172.400 175.897 -3.497 1
1 434 . 17 1 1 A 86 86 ILE CA C 86 56.800 60.458 -3.658 1
1 435 . 17 1 1 A 86 86 ILE CB C 86 32.700 38.931 -6.231 1
1 439 . 17 1 1 A 86 86 ILE N N 86 117.800 119.740 -1.940 1
1 440 . 17 1 1 A 87 87 LYS H H 87 8.200 8.366 -0.166 1
1 441 . 17 1 1 A 87 87 LYS HA H 87 3.470 2.398 1.072 1
1 450 . 17 1 1 A 87 87 LYS C C 87 175.200 176.856 -1.656 1
1 451 . 17 1 1 A 87 87 LYS CA C 87 56.800 57.846 -1.046 1
1 452 . 17 1 1 A 87 87 LYS CB C 87 30.300 31.559 -1.259 1
1 456 . 17 1 1 A 87 87 LYS N N 87 130.300 124.949 5.351 1
1 457 . 17 1 1 A 88 88 GLY H H 88 8.820 8.603 0.217 1
1 458 . 17 1 1 A 88 88 GLY HA2 H 88 4.440 2.984 1.456 1
1 459 . 17 1 1 A 88 88 GLY HA3 H 88 3.560 3.872 -0.312 1
1 460 . 17 1 1 A 88 88 GLY C C 88 172.800 175.131 -2.331 1
1 461 . 17 1 1 A 88 88 GLY CA C 88 42.800 45.600 -2.800 1
1 462 . 17 1 1 A 88 88 GLY N N 88 110.400 113.506 -3.106 1
1 463 . 17 1 1 A 89 89 SER H H 89 8.570 7.877 0.693 1
1 464 . 17 1 1 A 89 89 SER HA H 89 4.040 4.145 -0.105 1
1 467 . 17 1 1 A 89 89 SER C C 89 171.300 175.374 -4.074 1
1 468 . 17 1 1 A 89 89 SER CA C 89 58.200 61.150 -2.950 1
1 469 . 17 1 1 A 89 89 SER CB C 89 59.200 62.621 -3.421 1
1 470 . 17 1 1 A 89 89 SER N N 89 118.000 115.483 2.517 1
1 471 . 17 1 1 A 90 90 ASP H H 90 10.480 7.888 2.592 1
1 472 . 17 1 1 A 90 90 ASP HA H 90 4.580 4.548 0.032 1
1 475 . 17 1 1 A 90 90 ASP C C 90 173.500 176.808 -3.308 1
1 476 . 17 1 1 A 90 90 ASP CA C 90 50.500 54.655 -4.155 1
1 477 . 17 1 1 A 90 90 ASP CB C 90 34.900 41.036 -6.136 1
1 478 . 17 1 1 A 90 90 ASP N N 90 116.400 118.385 -1.985 1
1 479 . 17 1 1 A 91 91 CYS H H 91 7.420 7.720 -0.300 1
1 480 . 17 1 1 A 91 91 CYS HA H 91 5.180 5.069 0.111 1
1 483 . 17 1 1 A 91 91 CYS C C 91 172.800 174.556 -1.756 1
1 484 . 17 1 1 A 91 91 CYS CA C 91 50.600 55.975 -5.375 1
1 485 . 17 1 1 A 91 91 CYS CB C 91 38.000 43.813 -5.813 1
1 486 . 17 1 1 A 91 91 CYS N N 91 117.300 116.760 0.540 1
1 487 . 17 1 1 A 92 92 VAL H H 92 7.320 7.676 -0.356 1
1 488 . 17 1 1 A 92 92 VAL HA H 92 3.470 3.802 -0.332 1
1 496 . 17 1 1 A 92 92 VAL C C 92 175.700 176.950 -1.250 1
1 497 . 17 1 1 A 92 92 VAL CA C 92 64.000 64.894 -0.894 1
1 498 . 17 1 1 A 92 92 VAL CB C 92 29.300 31.369 -2.069 1
1 501 . 17 1 1 A 92 92 VAL N N 92 120.500 121.859 -1.359 1
1 502 . 17 1 1 A 93 93 ASP H H 93 8.870 8.125 0.745 1
1 503 . 17 1 1 A 93 93 ASP HA H 93 4.280 4.425 -0.145 1
1 505 . 17 1 1 A 93 93 ASP C C 93 176.500 179.432 -2.932 1
1 506 . 17 1 1 A 93 93 ASP CA C 93 55.100 57.420 -2.320 1
1 507 . 17 1 1 A 93 93 ASP CB C 93 36.800 40.093 -3.293 1
1 508 . 17 1 1 A 93 93 ASP N N 93 120.500 121.827 -1.327 1
1 509 . 17 1 1 A 94 94 GLN H H 94 9.140 7.841 1.299 1
1 510 . 17 1 1 A 94 94 GLN HA H 94 3.920 4.134 -0.214 1
1 517 . 17 1 1 A 94 94 GLN C C 94 178.100 179.024 -0.924 1
1 518 . 17 1 1 A 94 94 GLN CA C 94 57.100 58.741 -1.641 1
1 519 . 17 1 1 A 94 94 GLN CB C 94 24.500 28.486 -3.986 1
1 521 . 17 1 1 A 94 94 GLN N N 94 121.800 120.454 1.346 1
1 523 . 17 1 1 A 95 95 PHE H H 95 8.920 7.913 1.007 1
1 524 . 17 1 1 A 95 95 PHE HA H 95 4.130 4.155 -0.025 1
1 529 . 17 1 1 A 95 95 PHE C C 95 175.100 178.165 -3.065 1
1 530 . 17 1 1 A 95 95 PHE CA C 95 57.500 61.190 -3.690 1
1 531 . 17 1 1 A 95 95 PHE CB C 95 34.500 38.439 -3.939 1
1 532 . 17 1 1 A 95 95 PHE N N 95 122.500 119.527 2.973 1
1 533 . 17 1 1 A 96 96 ARG H H 96 8.500 8.592 -0.092 1
1 534 . 17 1 1 A 96 96 ARG HA H 96 4.040 4.015 0.025 1
1 540 . 17 1 1 A 96 96 ARG C C 96 175.700 178.243 -2.543 1
1 541 . 17 1 1 A 96 96 ARG CA C 96 56.800 59.765 -2.965 1
1 542 . 17 1 1 A 96 96 ARG CB C 96 26.800 29.752 -2.952 1
1 545 . 17 1 1 A 96 96 ARG N N 96 121.600 120.920 0.680 1
1 546 . 17 1 1 A 97 97 ALA H H 97 7.960 8.403 -0.443 1
1 547 . 17 1 1 A 97 97 ALA HA H 97 4.110 4.103 0.007 1
1 551 . 17 1 1 A 97 97 ALA C C 97 178.600 179.767 -1.167 1
1 552 . 17 1 1 A 97 97 ALA CA C 97 52.100 55.332 -3.232 1
1 553 . 17 1 1 A 97 97 ALA CB C 97 15.200 18.641 -3.441 1
1 554 . 17 1 1 A 97 97 ALA N N 97 120.300 121.579 -1.279 1
1 555 . 17 1 1 A 98 98 MET H H 98 7.600 8.732 -1.132 1
1 556 . 17 1 1 A 98 98 MET HA H 98 3.830 4.166 -0.336 1
1 559 . 17 1 1 A 98 98 MET C C 98 173.900 178.238 -4.338 1
1 560 . 17 1 1 A 98 98 MET CA C 98 56.400 57.951 -1.551 1
1 561 . 17 1 1 A 98 98 MET CB C 98 30.100 32.605 -2.505 1
1 563 . 17 1 1 A 98 98 MET N N 98 118.400 116.858 1.542 1
1 564 . 17 1 1 A 99 99 GLN H H 99 8.410 8.291 0.119 1
1 565 . 17 1 1 A 99 99 GLN HA H 99 3.800 4.033 -0.233 1
1 569 . 17 1 1 A 99 99 GLN C C 99 173.400 178.542 -5.142 1
1 570 . 17 1 1 A 99 99 GLN CA C 99 56.800 59.276 -2.476 1
1 571 . 17 1 1 A 99 99 GLN CB C 99 25.900 28.350 -2.450 1
1 573 . 17 1 1 A 99 99 GLN N N 99 120.800 120.192 0.608 1
1 574 . 17 1 1 A 100 100 GLU H H 100 8.510 8.248 0.262 1
1 575 . 17 1 1 A 100 100 GLU HA H 100 3.820 4.007 -0.187 1
1 580 . 17 1 1 A 100 100 GLU C C 100 175.900 178.887 -2.987 1
1 581 . 17 1 1 A 100 100 GLU CA C 100 56.500 59.632 -3.132 1
1 582 . 17 1 1 A 100 100 GLU CB C 100 26.900 28.570 -1.670 1
1 584 . 17 1 1 A 100 100 GLU N N 100 117.600 116.819 0.781 1
1 585 . 17 1 1 A 101 101 CYS H H 101 7.310 8.112 -0.802 1
1 586 . 17 1 1 A 101 101 CYS HA H 101 4.230 4.175 0.055 1
1 589 . 17 1 1 A 101 101 CYS C C 101 173.800 176.847 -3.047 1
1 590 . 17 1 1 A 101 101 CYS CA C 101 57.800 59.903 -2.103 1
1 591 . 17 1 1 A 101 101 CYS CB C 101 36.500 41.593 -5.093 1
1 592 . 17 1 1 A 101 101 CYS N N 101 117.800 119.312 -1.512 1
1 593 . 17 1 1 A 102 102 MET H H 102 8.400 8.022 0.378 1
1 594 . 17 1 1 A 102 102 MET HA H 102 3.820 4.587 -0.767 1
1 599 . 17 1 1 A 102 102 MET C C 102 177.100 177.403 -0.303 1
1 600 . 17 1 1 A 102 102 MET CA C 102 57.100 56.777 0.323 1
1 601 . 17 1 1 A 102 102 MET CB C 102 30.200 31.544 -1.344 1
1 603 . 17 1 1 A 102 102 MET N N 102 119.100 119.372 -0.272 1
1 604 . 17 1 1 A 103 103 GLN H H 103 7.850 8.233 -0.383 1
1 605 . 17 1 1 A 103 103 GLN HA H 103 3.960 4.155 -0.195 1
1 612 . 17 1 1 A 103 103 GLN C C 103 174.000 177.022 -3.022 1
1 613 . 17 1 1 A 103 103 GLN CA C 103 55.000 58.083 -3.083 1
1 614 . 17 1 1 A 103 103 GLN CB C 103 25.900 28.558 -2.658 1
1 616 . 17 1 1 A 103 103 GLN N N 103 117.200 117.986 -0.786 1
1 618 . 17 1 1 A 104 104 LYS H H 104 7.470 7.859 -0.389 1
1 619 . 17 1 1 A 104 104 LYS HA H 104 3.880 4.062 -0.182 1
1 626 . 17 1 1 A 104 104 LYS C C 104 173.200 175.739 -2.539 1
1 627 . 17 1 1 A 104 104 LYS CA C 104 54.600 57.727 -3.127 1
1 628 . 17 1 1 A 104 104 LYS CB C 104 29.600 32.881 -3.281 1
1 632 . 17 1 1 A 104 104 LYS N N 104 116.700 117.868 -1.168 1
1 633 . 17 1 1 A 105 105 TYR H H 105 7.390 7.562 -0.172 1
1 634 . 17 1 1 A 105 105 TYR HA H 105 5.040 5.059 -0.019 1
1 639 . 17 1 1 A 105 105 TYR C C 105 170.800 174.581 -3.781 1
1 640 . 17 1 1 A 105 105 TYR CA C 105 52.300 54.906 -2.606 1
1 641 . 17 1 1 A 105 105 TYR CB C 105 36.700 38.858 -2.158 1
1 642 . 17 1 1 A 105 105 TYR N N 105 115.700 117.724 -2.024 1
1 643 . 17 1 1 A 106 106 PRO HA H 106 4.470 4.605 -0.135 1
1 650 . 17 1 1 A 106 106 PRO CA C 106 61.800 64.375 -2.575 1
1 651 . 17 1 1 A 106 106 PRO CB C 106 29.000 32.083 -3.083 1
1 654 . 17 1 1 A 107 107 ASP H H 107 8.750 7.825 0.925 1
1 655 . 17 1 1 A 107 107 ASP HA H 107 4.310 4.665 -0.355 1
1 658 . 17 1 1 A 107 107 ASP C C 107 174.000 176.620 -2.620 1
1 659 . 17 1 1 A 107 107 ASP CA C 107 52.200 53.721 -1.521 1
1 660 . 17 1 1 A 107 107 ASP CB C 107 36.800 43.966 -7.166 1
1 661 . 17 1 1 A 107 107 ASP N N 107 114.800 118.210 -3.410 1
1 662 . 17 1 1 A 108 108 LEU H H 108 7.270 7.933 -0.663 1
1 663 . 17 1 1 A 108 108 LEU HA H 108 4.030 4.014 0.016 1
1 673 . 17 1 1 A 108 108 LEU C C 108 173.800 176.973 -3.173 1
1 674 . 17 1 1 A 108 108 LEU CA C 108 52.500 56.620 -4.120 1
1 675 . 17 1 1 A 108 108 LEU CB C 108 40.000 41.580 -1.580 1
1 679 . 17 1 1 A 108 108 LEU N N 108 118.900 117.815 1.085 1
1 7 . 18 1 1 A 46 46 LEU HA H 46 3.970 4.504 -0.534 1
1 17 . 18 1 1 A 46 46 LEU CA C 46 55.000 55.955 -0.955 1
1 18 . 18 1 1 A 46 46 LEU CB C 46 40.300 45.143 -4.843 1
1 22 . 18 1 1 A 47 47 ILE H H 47 7.570 7.947 -0.377 1
1 23 . 18 1 1 A 47 47 ILE HA H 47 4.270 4.468 -0.198 1
1 33 . 18 1 1 A 47 47 ILE C C 47 174.500 175.279 -0.779 1
1 34 . 18 1 1 A 47 47 ILE CA C 47 54.600 59.722 -5.122 1
1 35 . 18 1 1 A 47 47 ILE CB C 47 34.500 39.607 -5.107 1
1 39 . 18 1 1 A 47 47 ILE N N 47 115.000 119.629 -4.629 1
1 40 . 18 1 1 A 48 48 LEU H H 48 8.760 8.990 -0.230 1
1 41 . 18 1 1 A 48 48 LEU HA H 48 4.260 4.430 -0.170 1
1 51 . 18 1 1 A 48 48 LEU C C 48 174.400 176.834 -2.434 1
1 52 . 18 1 1 A 48 48 LEU CA C 48 51.200 53.254 -2.054 1
1 53 . 18 1 1 A 48 48 LEU CB C 48 37.800 41.187 -3.387 1
1 57 . 18 1 1 A 48 48 LEU N N 48 127.400 126.887 0.513 1
1 58 . 18 1 1 A 49 49 PRO HA H 49 4.170 4.476 -0.306 1
1 63 . 18 1 1 A 49 49 PRO CA C 49 62.500 64.150 -1.650 1
1 64 . 18 1 1 A 49 49 PRO CB C 49 28.900 31.456 -2.556 1
1 67 . 18 1 1 A 50 50 ASN H H 50 7.180 7.818 -0.638 1
1 68 . 18 1 1 A 50 50 ASN HA H 50 4.420 4.827 -0.407 1
1 73 . 18 1 1 A 50 50 ASN C C 50 173.700 176.154 -2.454 1
1 74 . 18 1 1 A 50 50 ASN CA C 50 49.500 52.100 -2.600 1
1 75 . 18 1 1 A 50 50 ASN CB C 50 34.400 39.264 -4.864 1
1 76 . 18 1 1 A 50 50 ASN N N 50 111.000 114.469 -3.469 1
1 78 . 18 1 1 A 51 51 GLY H H 51 8.370 8.242 0.128 1
1 79 . 18 1 1 A 51 51 GLY HA2 H 51 4.220 3.930 0.290 1
1 80 . 18 1 1 A 51 51 GLY HA3 H 51 3.400 3.953 -0.553 1
1 81 . 18 1 1 A 51 51 GLY C C 51 171.500 174.284 -2.784 1
1 82 . 18 1 1 A 51 51 GLY CA C 51 42.200 45.005 -2.805 1
1 83 . 18 1 1 A 51 51 GLY N N 51 108.400 109.326 -0.926 1
1 84 . 18 1 1 A 52 52 ASN H H 52 7.810 7.707 0.103 1
1 85 . 18 1 1 A 52 52 ASN HA H 52 4.670 4.821 -0.151 1
1 90 . 18 1 1 A 52 52 ASN C C 52 170.900 175.013 -4.113 1
1 91 . 18 1 1 A 52 52 ASN CA C 52 49.400 53.350 -3.950 1
1 92 . 18 1 1 A 52 52 ASN CB C 52 36.100 39.923 -3.823 1
1 93 . 18 1 1 A 52 52 ASN N N 52 119.100 120.063 -0.963 1
1 95 . 18 1 1 A 53 53 ILE H H 53 8.070 8.008 0.062 1
1 96 . 18 1 1 A 53 53 ILE HA H 53 3.470 3.749 -0.279 1
1 106 . 18 1 1 A 53 53 ILE C C 53 172.300 175.200 -2.900 1
1 107 . 18 1 1 A 53 53 ILE CA C 53 59.100 61.200 -2.100 1
1 108 . 18 1 1 A 53 53 ILE CB C 53 36.000 37.496 -1.496 1
1 112 . 18 1 1 A 53 53 ILE N N 53 120.100 123.934 -3.834 1
1 113 . 18 1 1 A 54 54 ASN H H 54 8.700 8.613 0.087 1
1 114 . 18 1 1 A 54 54 ASN HA H 54 4.350 4.620 -0.270 1
1 119 . 18 1 1 A 54 54 ASN C C 54 172.300 175.699 -3.399 1
1 120 . 18 1 1 A 54 54 ASN CA C 54 47.500 52.076 -4.576 1
1 121 . 18 1 1 A 54 54 ASN CB C 54 34.200 38.105 -3.905 1
1 122 . 18 1 1 A 54 54 ASN N N 54 123.200 125.171 -1.971 1
1 124 . 18 1 1 A 55 55 TRP H H 55 7.520 7.767 -0.247 1
1 125 . 18 1 1 A 55 55 TRP HA H 55 4.300 4.560 -0.260 1
1 134 . 18 1 1 A 55 55 TRP C C 55 172.100 177.438 -5.338 1
1 135 . 18 1 1 A 55 55 TRP CA C 55 55.200 58.877 -3.677 1
1 136 . 18 1 1 A 55 55 TRP CB C 55 26.400 28.374 -1.974 1
1 137 . 18 1 1 A 55 55 TRP N N 55 124.600 124.997 -0.397 1
1 138 . 18 1 1 A 56 56 ASN H H 56 7.380 8.135 -0.755 1
1 139 . 18 1 1 A 56 56 ASN HA H 56 4.720 4.931 -0.211 1
1 144 . 18 1 1 A 56 56 ASN C C 56 172.100 175.562 -3.462 1
1 145 . 18 1 1 A 56 56 ASN CA C 56 49.500 53.699 -4.199 1
1 146 . 18 1 1 A 56 56 ASN CB C 56 36.200 38.721 -2.521 1
1 147 . 18 1 1 A 56 56 ASN N N 56 112.500 117.421 -4.921 1
1 149 . 18 1 1 A 57 57 CYS H H 57 7.460 7.201 0.259 1
1 150 . 18 1 1 A 57 57 CYS HA H 57 4.280 4.468 -0.188 1
1 153 . 18 1 1 A 57 57 CYS C C 57 173.000 174.769 -1.769 1
1 154 . 18 1 1 A 57 57 CYS CA C 57 54.900 58.433 -3.533 1
1 155 . 18 1 1 A 57 57 CYS CB C 57 25.000 27.236 -2.236 1
1 156 . 18 1 1 A 57 57 CYS N N 57 123.000 119.346 3.654 1
1 157 . 18 1 1 A 58 58 PRO HA H 58 4.200 4.371 -0.171 1
1 162 . 18 1 1 A 58 58 PRO CA C 58 62.700 65.721 -3.021 1
1 163 . 18 1 1 A 58 58 PRO CB C 58 29.300 31.594 -2.294 1
1 166 . 18 1 1 A 59 59 CYS HA H 59 4.390 4.196 0.194 1
1 168 . 18 1 1 A 59 59 CYS CA C 59 57.000 62.565 -5.565 1
1 169 . 18 1 1 A 59 59 CYS CB C 59 24.400 27.591 -3.191 1
1 170 . 18 1 1 A 60 60 LEU H H 60 7.500 8.181 -0.681 1
1 171 . 18 1 1 A 60 60 LEU HA H 60 4.180 4.115 0.065 1
1 181 . 18 1 1 A 60 60 LEU C C 60 175.700 179.056 -3.356 1
1 182 . 18 1 1 A 60 60 LEU CA C 60 52.000 57.883 -5.883 1
1 183 . 18 1 1 A 60 60 LEU CB C 60 39.000 41.932 -2.932 1
1 187 . 18 1 1 A 60 60 LEU N N 60 117.700 121.997 -4.297 1
1 188 . 18 1 1 A 61 61 GLY H H 61 7.880 8.621 -0.741 1
1 189 . 18 1 1 A 61 61 GLY HA2 H 61 3.830 3.828 0.002 1
1 190 . 18 1 1 A 61 61 GLY HA3 H 61 3.680 3.895 -0.215 1
1 191 . 18 1 1 A 61 61 GLY C C 61 172.700 176.034 -3.334 1
1 192 . 18 1 1 A 61 61 GLY CA C 61 44.700 47.398 -2.698 1
1 193 . 18 1 1 A 61 61 GLY N N 61 105.700 106.700 -1.000 1
1 194 . 18 1 1 A 62 62 GLY H H 62 8.580 8.216 0.364 1
1 195 . 18 1 1 A 62 62 GLY HA2 H 62 3.810 3.819 -0.009 1
1 196 . 18 1 1 A 62 62 GLY HA3 H 62 3.680 3.831 -0.151 1
1 197 . 18 1 1 A 62 62 GLY C C 62 174.000 175.846 -1.846 1
1 198 . 18 1 1 A 62 62 GLY CA C 62 42.800 47.166 -4.366 1
1 199 . 18 1 1 A 62 62 GLY N N 62 108.500 110.044 -1.544 1
1 200 . 18 1 1 A 63 63 MET H H 63 7.460 8.404 -0.944 1
1 201 . 18 1 1 A 63 63 MET HA H 63 3.870 4.123 -0.253 1
1 206 . 18 1 1 A 63 63 MET C C 63 174.600 177.571 -2.971 1
1 207 . 18 1 1 A 63 63 MET CA C 63 54.400 58.093 -3.693 1
1 208 . 18 1 1 A 63 63 MET CB C 63 27.600 32.347 -4.747 1
1 210 . 18 1 1 A 63 63 MET N N 63 118.500 120.883 -2.383 1
1 211 . 18 1 1 A 64 64 ALA H H 64 8.080 7.824 0.256 1
1 212 . 18 1 1 A 64 64 ALA HA H 64 4.220 4.414 -0.194 1
1 216 . 18 1 1 A 64 64 ALA C C 64 173.800 175.961 -2.161 1
1 217 . 18 1 1 A 64 64 ALA CA C 64 50.400 52.270 -1.870 1
1 218 . 18 1 1 A 64 64 ALA CB C 64 16.500 18.799 -2.299 1
1 219 . 18 1 1 A 64 64 ALA N N 64 117.500 120.469 -2.969 1
1 220 . 18 1 1 A 65 65 SER H H 65 7.460 7.403 0.057 1
1 221 . 18 1 1 A 65 65 SER HA H 65 4.570 4.645 -0.075 1
1 224 . 18 1 1 A 65 65 SER C C 65 171.500 173.949 -2.449 1
1 225 . 18 1 1 A 65 65 SER CA C 65 54.800 57.153 -2.353 1
1 226 . 18 1 1 A 65 65 SER CB C 65 61.800 66.117 -4.317 1
1 227 . 18 1 1 A 65 65 SER N N 65 111.200 113.627 -2.427 1
1 228 . 18 1 1 A 66 66 GLY H H 66 7.480 8.308 -0.828 1
1 229 . 18 1 1 A 66 66 GLY HA2 H 66 3.980 3.997 -0.017 1
1 230 . 18 1 1 A 66 66 GLY HA3 H 66 4.030 4.113 -0.083 1
1 231 . 18 1 1 A 66 66 GLY C C 66 170.600 174.273 -3.673 1
1 232 . 18 1 1 A 66 66 GLY CA C 66 42.000 44.639 -2.639 1
1 233 . 18 1 1 A 66 66 GLY N N 66 108.800 110.331 -1.531 1
1 234 . 18 1 1 A 67 67 PRO HA H 67 4.210 4.326 -0.116 1
1 241 . 18 1 1 A 67 67 PRO CA C 67 62.000 64.200 -2.200 1
1 242 . 18 1 1 A 67 67 PRO CB C 67 28.900 31.311 -2.411 1
1 245 . 18 1 1 A 68 68 CYS H H 68 7.700 8.183 -0.483 1
1 246 . 18 1 1 A 68 68 CYS HA H 68 5.450 4.838 0.612 1
1 249 . 18 1 1 A 68 68 CYS C C 68 173.500 174.799 -1.299 1
1 250 . 18 1 1 A 68 68 CYS CA C 68 49.500 56.405 -6.905 1
1 251 . 18 1 1 A 68 68 CYS CB C 68 36.200 43.313 -7.113 1
1 252 . 18 1 1 A 68 68 CYS N N 68 115.300 116.273 -0.973 1
1 253 . 18 1 1 A 69 69 GLY H H 69 7.840 8.105 -0.265 1
1 254 . 18 1 1 A 69 69 GLY HA2 H 69 3.950 3.690 0.260 1
1 255 . 18 1 1 A 69 69 GLY HA3 H 69 3.550 3.730 -0.180 1
1 256 . 18 1 1 A 69 69 GLY C C 69 173.300 175.855 -2.555 1
1 257 . 18 1 1 A 69 69 GLY CA C 69 45.200 47.470 -2.270 1
1 258 . 18 1 1 A 69 69 GLY N N 69 110.200 110.082 0.118 1
1 259 . 18 1 1 A 70 70 GLU H H 70 8.650 7.910 0.740 1
1 260 . 18 1 1 A 70 70 GLU HA H 70 3.760 3.858 -0.098 1
1 265 . 18 1 1 A 70 70 GLU C C 70 176.800 179.708 -2.908 1
1 266 . 18 1 1 A 70 70 GLU CA C 70 56.300 59.125 -2.825 1
1 267 . 18 1 1 A 70 70 GLU CB C 70 26.000 29.144 -3.144 1
1 269 . 18 1 1 A 70 70 GLU N N 70 120.000 121.005 -1.005 1
1 270 . 18 1 1 A 71 71 GLN H H 71 8.860 7.363 1.497 1
1 271 . 18 1 1 A 71 71 GLN HA H 71 3.850 4.025 -0.175 1
1 278 . 18 1 1 A 71 71 GLN C C 71 177.400 178.459 -1.059 1
1 279 . 18 1 1 A 71 71 GLN CA C 71 57.200 58.478 -1.278 1
1 280 . 18 1 1 A 71 71 GLN CB C 71 24.400 28.804 -4.404 1
1 282 . 18 1 1 A 71 71 GLN N N 71 120.800 119.785 1.015 1
1 284 . 18 1 1 A 72 72 PHE H H 72 8.890 7.877 1.013 1
1 285 . 18 1 1 A 72 72 PHE HA H 72 4.200 4.035 0.165 1
1 291 . 18 1 1 A 72 72 PHE C C 72 173.500 177.431 -3.931 1
1 292 . 18 1 1 A 72 72 PHE CA C 72 59.000 60.602 -1.602 1
1 293 . 18 1 1 A 72 72 PHE CB C 72 36.000 39.295 -3.295 1
1 294 . 18 1 1 A 72 72 PHE N N 72 123.400 121.725 1.675 1
1 295 . 18 1 1 A 73 73 LYS H H 73 8.480 8.348 0.132 1
1 296 . 18 1 1 A 73 73 LYS HA H 73 3.430 3.457 -0.027 1
1 304 . 18 1 1 A 73 73 LYS C C 73 177.600 178.863 -1.263 1
1 305 . 18 1 1 A 73 73 LYS CA C 73 56.700 59.407 -2.707 1
1 306 . 18 1 1 A 73 73 LYS CB C 73 29.600 31.745 -2.145 1
1 310 . 18 1 1 A 73 73 LYS N N 73 119.900 118.302 1.598 1
1 311 . 18 1 1 A 74 74 SER H H 74 7.780 7.768 0.012 1
1 312 . 18 1 1 A 74 74 SER HA H 74 4.120 4.244 -0.124 1
1 315 . 18 1 1 A 74 74 SER C C 74 174.300 177.173 -2.873 1
1 316 . 18 1 1 A 74 74 SER CA C 74 58.700 61.244 -2.544 1
1 317 . 18 1 1 A 74 74 SER CB C 74 59.900 62.898 -2.998 1
1 318 . 18 1 1 A 74 74 SER N N 74 114.200 114.851 -0.651 1
1 319 . 18 1 1 A 75 75 ALA H H 75 7.870 8.072 -0.202 1
1 320 . 18 1 1 A 75 75 ALA HA H 75 3.840 3.923 -0.083 1
1 324 . 18 1 1 A 75 75 ALA C C 75 175.100 179.181 -4.081 1
1 325 . 18 1 1 A 75 75 ALA CA C 75 53.200 54.696 -1.496 1
1 326 . 18 1 1 A 75 75 ALA CB C 75 15.500 17.794 -2.294 1
1 327 . 18 1 1 A 75 75 ALA N N 75 123.100 123.141 -0.041 1
1 328 . 18 1 1 A 76 76 PHE H H 76 9.450 7.995 1.455 1
1 329 . 18 1 1 A 76 76 PHE HA H 76 3.700 4.349 -0.649 1
1 334 . 18 1 1 A 76 76 PHE C C 76 174.600 177.905 -3.305 1
1 335 . 18 1 1 A 76 76 PHE CA C 76 59.600 61.787 -2.187 1
1 336 . 18 1 1 A 76 76 PHE CB C 76 35.800 38.362 -2.562 1
1 337 . 18 1 1 A 76 76 PHE N N 76 118.800 118.963 -0.163 1
1 338 . 18 1 1 A 77 77 SER H H 77 8.550 8.292 0.258 1
1 339 . 18 1 1 A 77 77 SER HA H 77 4.130 4.245 -0.115 1
1 341 . 18 1 1 A 77 77 SER C C 77 172.200 176.469 -4.269 1
1 342 . 18 1 1 A 77 77 SER CA C 77 60.100 61.514 -1.414 1
1 343 . 18 1 1 A 77 77 SER CB C 77 59.800 62.088 -2.288 1
1 344 . 18 1 1 A 77 77 SER N N 77 113.200 113.537 -0.337 1
1 345 . 18 1 1 A 78 78 CYS H H 78 7.430 8.017 -0.587 1
1 346 . 18 1 1 A 78 78 CYS HA H 78 4.080 3.998 0.082 1
1 349 . 18 1 1 A 78 78 CYS C C 78 174.000 176.307 -2.307 1
1 350 . 18 1 1 A 78 78 CYS CA C 78 57.900 60.465 -2.565 1
1 351 . 18 1 1 A 78 78 CYS CB C 78 36.400 41.026 -4.626 1
1 352 . 18 1 1 A 78 78 CYS N N 78 118.900 119.357 -0.457 1
1 353 . 18 1 1 A 79 79 PHE H H 79 8.270 8.494 -0.224 1
1 354 . 18 1 1 A 79 79 PHE HA H 79 3.740 4.244 -0.504 1
1 359 . 18 1 1 A 79 79 PHE C C 79 173.600 177.444 -3.844 1
1 360 . 18 1 1 A 79 79 PHE CA C 79 59.200 61.742 -2.542 1
1 361 . 18 1 1 A 79 79 PHE CB C 79 37.000 39.108 -2.108 1
1 362 . 18 1 1 A 79 79 PHE N N 79 120.400 121.599 -1.199 1
1 363 . 18 1 1 A 80 80 HIS H H 80 8.840 8.140 0.700 1
1 364 . 18 1 1 A 80 80 HIS HA H 80 3.460 3.802 -0.342 1
1 368 . 18 1 1 A 80 80 HIS C C 80 175.700 176.235 -0.535 1
1 369 . 18 1 1 A 80 80 HIS CA C 80 57.000 59.190 -2.190 1
1 370 . 18 1 1 A 80 80 HIS CB C 80 28.300 29.875 -1.575 1
1 371 . 18 1 1 A 80 80 HIS N N 80 118.400 117.835 0.565 1
1 372 . 18 1 1 A 81 81 TYR H H 81 7.710 7.963 -0.253 1
1 373 . 18 1 1 A 81 81 TYR HA H 81 4.080 4.124 -0.044 1
1 378 . 18 1 1 A 81 81 TYR C C 81 172.400 178.042 -5.642 1
1 379 . 18 1 1 A 81 81 TYR CA C 81 56.100 60.598 -4.498 1
1 380 . 18 1 1 A 81 81 TYR CB C 81 34.800 39.383 -4.583 1
1 381 . 18 1 1 A 81 81 TYR N N 81 113.400 114.990 -1.590 1
1 382 . 18 1 1 A 82 82 SER H H 82 7.070 8.097 -1.027 1
1 383 . 18 1 1 A 82 82 SER HA H 82 4.410 4.253 0.157 1
1 386 . 18 1 1 A 82 82 SER C C 82 174.500 174.327 0.173 1
1 387 . 18 1 1 A 82 82 SER CA C 82 56.300 61.195 -4.895 1
1 388 . 18 1 1 A 82 82 SER CB C 82 59.200 63.184 -3.984 1
1 389 . 18 1 1 A 82 82 SER N N 82 115.600 116.797 -1.197 1
1 390 . 18 1 1 A 83 83 THR H H 83 9.290 7.649 1.641 1
1 391 . 18 1 1 A 83 83 THR HA H 83 4.400 3.824 0.576 1
1 396 . 18 1 1 A 83 83 THR C C 83 172.200 174.487 -2.287 1
1 397 . 18 1 1 A 83 83 THR CA C 83 57.500 63.656 -6.156 1
1 398 . 18 1 1 A 83 83 THR CB C 83 65.800 66.690 -0.890 1
1 400 . 18 1 1 A 83 83 THR N N 83 120.400 114.207 6.193 1
1 401 . 18 1 1 A 84 84 GLU H H 84 7.170 8.304 -1.134 1
1 402 . 18 1 1 A 84 84 GLU HA H 84 3.860 4.027 -0.167 1
1 406 . 18 1 1 A 84 84 GLU C C 84 173.300 177.140 -3.840 1
1 407 . 18 1 1 A 84 84 GLU CA C 84 53.100 59.382 -6.282 1
1 408 . 18 1 1 A 84 84 GLU CB C 84 28.400 29.450 -1.050 1
1 410 . 18 1 1 A 84 84 GLU N N 84 121.600 122.801 -1.201 1
1 411 . 18 1 1 A 85 85 GLU H H 85 8.390 7.816 0.574 1
1 412 . 18 1 1 A 85 85 GLU HA H 85 3.730 4.668 -0.938 1
1 417 . 18 1 1 A 85 85 GLU C C 85 175.500 175.570 -0.070 1
1 418 . 18 1 1 A 85 85 GLU CA C 85 56.700 58.014 -1.314 1
1 419 . 18 1 1 A 85 85 GLU CB C 85 26.900 31.907 -5.007 1
1 421 . 18 1 1 A 85 85 GLU N N 85 121.800 114.315 7.485 1
1 422 . 18 1 1 A 86 86 ILE H H 86 8.060 8.245 -0.185 1
1 423 . 18 1 1 A 86 86 ILE HA H 86 4.060 4.192 -0.132 1
1 433 . 18 1 1 A 86 86 ILE C C 86 172.400 175.875 -3.475 1
1 434 . 18 1 1 A 86 86 ILE CA C 86 56.800 60.854 -4.054 1
1 435 . 18 1 1 A 86 86 ILE CB C 86 32.700 38.403 -5.703 1
1 439 . 18 1 1 A 86 86 ILE N N 86 117.800 120.487 -2.687 1
1 440 . 18 1 1 A 87 87 LYS H H 87 8.200 8.508 -0.308 1
1 441 . 18 1 1 A 87 87 LYS HA H 87 3.470 2.468 1.002 1
1 450 . 18 1 1 A 87 87 LYS C C 87 175.200 176.806 -1.606 1
1 451 . 18 1 1 A 87 87 LYS CA C 87 56.800 57.944 -1.144 1
1 452 . 18 1 1 A 87 87 LYS CB C 87 30.300 31.670 -1.370 1
1 456 . 18 1 1 A 87 87 LYS N N 87 130.300 126.219 4.081 1
1 457 . 18 1 1 A 88 88 GLY H H 88 8.820 8.469 0.351 1
1 458 . 18 1 1 A 88 88 GLY HA2 H 88 4.440 3.098 1.342 1
1 459 . 18 1 1 A 88 88 GLY HA3 H 88 3.560 3.780 -0.220 1
1 460 . 18 1 1 A 88 88 GLY C C 88 172.800 175.133 -2.333 1
1 461 . 18 1 1 A 88 88 GLY CA C 88 42.800 44.748 -1.948 1
1 462 . 18 1 1 A 88 88 GLY N N 88 110.400 113.302 -2.902 1
1 463 . 18 1 1 A 89 89 SER H H 89 8.570 8.386 0.184 1
1 464 . 18 1 1 A 89 89 SER HA H 89 4.040 4.102 -0.062 1
1 467 . 18 1 1 A 89 89 SER C C 89 171.300 175.704 -4.404 1
1 468 . 18 1 1 A 89 89 SER CA C 89 58.200 61.889 -3.689 1
1 469 . 18 1 1 A 89 89 SER CB C 89 59.200 63.074 -3.874 1
1 470 . 18 1 1 A 89 89 SER N N 89 118.000 117.248 0.752 1
1 471 . 18 1 1 A 90 90 ASP H H 90 10.480 8.533 1.947 1
1 472 . 18 1 1 A 90 90 ASP HA H 90 4.580 4.478 0.102 1
1 475 . 18 1 1 A 90 90 ASP C C 90 173.500 177.240 -3.740 1
1 476 . 18 1 1 A 90 90 ASP CA C 90 50.500 55.503 -5.003 1
1 477 . 18 1 1 A 90 90 ASP CB C 90 34.900 40.010 -5.110 1
1 478 . 18 1 1 A 90 90 ASP N N 90 116.400 120.759 -4.359 1
1 479 . 18 1 1 A 91 91 CYS H H 91 7.420 7.843 -0.423 1
1 480 . 18 1 1 A 91 91 CYS HA H 91 5.180 4.993 0.187 1
1 483 . 18 1 1 A 91 91 CYS C C 91 172.800 174.521 -1.721 1
1 484 . 18 1 1 A 91 91 CYS CA C 91 50.600 55.970 -5.370 1
1 485 . 18 1 1 A 91 91 CYS CB C 91 38.000 43.478 -5.478 1
1 486 . 18 1 1 A 91 91 CYS N N 91 117.300 116.687 0.613 1
1 487 . 18 1 1 A 92 92 VAL H H 92 7.320 7.674 -0.354 1
1 488 . 18 1 1 A 92 92 VAL HA H 92 3.470 3.840 -0.370 1
1 496 . 18 1 1 A 92 92 VAL C C 92 175.700 176.985 -1.285 1
1 497 . 18 1 1 A 92 92 VAL CA C 92 64.000 64.966 -0.966 1
1 498 . 18 1 1 A 92 92 VAL CB C 92 29.300 31.422 -2.122 1
1 501 . 18 1 1 A 92 92 VAL N N 92 120.500 121.786 -1.286 1
1 502 . 18 1 1 A 93 93 ASP H H 93 8.870 8.107 0.763 1
1 503 . 18 1 1 A 93 93 ASP HA H 93 4.280 4.460 -0.180 1
1 505 . 18 1 1 A 93 93 ASP C C 93 176.500 179.481 -2.981 1
1 506 . 18 1 1 A 93 93 ASP CA C 93 55.100 57.422 -2.322 1
1 507 . 18 1 1 A 93 93 ASP CB C 93 36.800 40.169 -3.369 1
1 508 . 18 1 1 A 93 93 ASP N N 93 120.500 121.970 -1.470 1
1 509 . 18 1 1 A 94 94 GLN H H 94 9.140 7.835 1.305 1
1 510 . 18 1 1 A 94 94 GLN HA H 94 3.920 4.172 -0.252 1
1 517 . 18 1 1 A 94 94 GLN C C 94 178.100 179.201 -1.101 1
1 518 . 18 1 1 A 94 94 GLN CA C 94 57.100 58.571 -1.471 1
1 519 . 18 1 1 A 94 94 GLN CB C 94 24.500 28.652 -4.152 1
1 521 . 18 1 1 A 94 94 GLN N N 94 121.800 120.541 1.259 1
1 523 . 18 1 1 A 95 95 PHE H H 95 8.920 8.408 0.512 1
1 524 . 18 1 1 A 95 95 PHE HA H 95 4.130 4.310 -0.180 1
1 529 . 18 1 1 A 95 95 PHE C C 95 175.100 178.200 -3.100 1
1 530 . 18 1 1 A 95 95 PHE CA C 95 57.500 61.136 -3.636 1
1 531 . 18 1 1 A 95 95 PHE CB C 95 34.500 38.607 -4.107 1
1 532 . 18 1 1 A 95 95 PHE N N 95 122.500 119.646 2.854 1
1 533 . 18 1 1 A 96 96 ARG H H 96 8.500 8.455 0.045 1
1 534 . 18 1 1 A 96 96 ARG HA H 96 4.040 3.897 0.143 1
1 540 . 18 1 1 A 96 96 ARG C C 96 175.700 178.224 -2.524 1
1 541 . 18 1 1 A 96 96 ARG CA C 96 56.800 59.830 -3.030 1
1 542 . 18 1 1 A 96 96 ARG CB C 96 26.800 29.450 -2.650 1
1 545 . 18 1 1 A 96 96 ARG N N 96 121.600 120.664 0.936 1
1 546 . 18 1 1 A 97 97 ALA H H 97 7.960 8.267 -0.307 1
1 547 . 18 1 1 A 97 97 ALA HA H 97 4.110 4.088 0.022 1
1 551 . 18 1 1 A 97 97 ALA C C 97 178.600 179.700 -1.100 1
1 552 . 18 1 1 A 97 97 ALA CA C 97 52.100 55.263 -3.163 1
1 553 . 18 1 1 A 97 97 ALA CB C 97 15.200 17.798 -2.598 1
1 554 . 18 1 1 A 97 97 ALA N N 97 120.300 120.843 -0.543 1
1 555 . 18 1 1 A 98 98 MET H H 98 7.600 8.420 -0.820 1
1 556 . 18 1 1 A 98 98 MET HA H 98 3.830 4.073 -0.243 1
1 559 . 18 1 1 A 98 98 MET C C 98 173.900 178.165 -4.265 1
1 560 . 18 1 1 A 98 98 MET CA C 98 56.400 58.239 -1.839 1
1 561 . 18 1 1 A 98 98 MET CB C 98 30.100 31.904 -1.804 1
1 563 . 18 1 1 A 98 98 MET N N 98 118.400 118.717 -0.317 1
1 564 . 18 1 1 A 99 99 GLN H H 99 8.410 8.467 -0.057 1
1 565 . 18 1 1 A 99 99 GLN HA H 99 3.800 3.957 -0.157 1
1 569 . 18 1 1 A 99 99 GLN C C 99 173.400 178.164 -4.764 1
1 570 . 18 1 1 A 99 99 GLN CA C 99 56.800 59.362 -2.562 1
1 571 . 18 1 1 A 99 99 GLN CB C 99 25.900 28.647 -2.747 1
1 573 . 18 1 1 A 99 99 GLN N N 99 120.800 119.197 1.603 1
1 574 . 18 1 1 A 100 100 GLU H H 100 8.510 8.395 0.115 1
1 575 . 18 1 1 A 100 100 GLU HA H 100 3.820 3.991 -0.171 1
1 580 . 18 1 1 A 100 100 GLU C C 100 175.900 178.681 -2.781 1
1 581 . 18 1 1 A 100 100 GLU CA C 100 56.500 59.534 -3.034 1
1 582 . 18 1 1 A 100 100 GLU CB C 100 26.900 28.860 -1.960 1
1 584 . 18 1 1 A 100 100 GLU N N 100 117.600 116.955 0.645 1
1 585 . 18 1 1 A 101 101 CYS H H 101 7.310 7.816 -0.506 1
1 586 . 18 1 1 A 101 101 CYS HA H 101 4.230 3.966 0.264 1
1 589 . 18 1 1 A 101 101 CYS C C 101 173.800 176.654 -2.854 1
1 590 . 18 1 1 A 101 101 CYS CA C 101 57.800 59.709 -1.909 1
1 591 . 18 1 1 A 101 101 CYS CB C 101 36.500 41.436 -4.936 1
1 592 . 18 1 1 A 101 101 CYS N N 101 117.800 118.992 -1.192 1
1 593 . 18 1 1 A 102 102 MET H H 102 8.400 8.259 0.141 1
1 594 . 18 1 1 A 102 102 MET HA H 102 3.820 4.384 -0.564 1
1 599 . 18 1 1 A 102 102 MET C C 102 177.100 177.194 -0.094 1
1 600 . 18 1 1 A 102 102 MET CA C 102 57.100 56.898 0.202 1
1 601 . 18 1 1 A 102 102 MET CB C 102 30.200 31.940 -1.740 1
1 603 . 18 1 1 A 102 102 MET N N 102 119.100 119.414 -0.314 1
1 604 . 18 1 1 A 103 103 GLN H H 103 7.850 7.694 0.156 1
1 605 . 18 1 1 A 103 103 GLN HA H 103 3.960 4.259 -0.299 1
1 612 . 18 1 1 A 103 103 GLN C C 103 174.000 177.389 -3.389 1
1 613 . 18 1 1 A 103 103 GLN CA C 103 55.000 57.741 -2.741 1
1 614 . 18 1 1 A 103 103 GLN CB C 103 25.900 30.013 -4.113 1
1 616 . 18 1 1 A 103 103 GLN N N 103 117.200 117.426 -0.226 1
1 618 . 18 1 1 A 104 104 LYS H H 104 7.470 7.678 -0.208 1
1 619 . 18 1 1 A 104 104 LYS HA H 104 3.880 4.037 -0.157 1
1 626 . 18 1 1 A 104 104 LYS C C 104 173.200 175.952 -2.752 1
1 627 . 18 1 1 A 104 104 LYS CA C 104 54.600 58.243 -3.643 1
1 628 . 18 1 1 A 104 104 LYS CB C 104 29.600 32.416 -2.816 1
1 632 . 18 1 1 A 104 104 LYS N N 104 116.700 117.814 -1.114 1
1 633 . 18 1 1 A 105 105 TYR H H 105 7.390 7.321 0.069 1
1 634 . 18 1 1 A 105 105 TYR HA H 105 5.040 5.096 -0.056 1
1 639 . 18 1 1 A 105 105 TYR C C 105 170.800 174.665 -3.865 1
1 640 . 18 1 1 A 105 105 TYR CA C 105 52.300 55.133 -2.833 1
1 641 . 18 1 1 A 105 105 TYR CB C 105 36.700 39.025 -2.325 1
1 642 . 18 1 1 A 105 105 TYR N N 105 115.700 117.665 -1.965 1
1 643 . 18 1 1 A 106 106 PRO HA H 106 4.470 4.594 -0.124 1
1 650 . 18 1 1 A 106 106 PRO CA C 106 61.800 64.480 -2.680 1
1 651 . 18 1 1 A 106 106 PRO CB C 106 29.000 32.159 -3.159 1
1 654 . 18 1 1 A 107 107 ASP H H 107 8.750 7.813 0.937 1
1 655 . 18 1 1 A 107 107 ASP HA H 107 4.310 4.446 -0.136 1
1 658 . 18 1 1 A 107 107 ASP C C 107 174.000 175.753 -1.753 1
1 659 . 18 1 1 A 107 107 ASP CA C 107 52.200 52.905 -0.705 1
1 660 . 18 1 1 A 107 107 ASP CB C 107 36.800 42.477 -5.677 1
1 661 . 18 1 1 A 107 107 ASP N N 107 114.800 115.979 -1.179 1
1 662 . 18 1 1 A 108 108 LEU H H 108 7.270 7.682 -0.412 1
1 663 . 18 1 1 A 108 108 LEU HA H 108 4.030 3.955 0.075 1
1 673 . 18 1 1 A 108 108 LEU C C 108 173.800 177.184 -3.384 1
1 674 . 18 1 1 A 108 108 LEU CA C 108 52.500 56.860 -4.360 1
1 675 . 18 1 1 A 108 108 LEU CB C 108 40.000 41.397 -1.397 1
1 679 . 18 1 1 A 108 108 LEU N N 108 118.900 118.712 0.188 1
1 7 . 19 1 1 A 46 46 LEU HA H 46 3.970 4.076 -0.106 1
1 17 . 19 1 1 A 46 46 LEU CA C 46 55.000 57.537 -2.537 1
1 18 . 19 1 1 A 46 46 LEU CB C 46 40.300 41.525 -1.225 1
1 22 . 19 1 1 A 47 47 ILE H H 47 7.570 7.562 0.008 1
1 23 . 19 1 1 A 47 47 ILE HA H 47 4.270 3.877 0.393 1
1 33 . 19 1 1 A 47 47 ILE C C 47 174.500 175.528 -1.028 1
1 34 . 19 1 1 A 47 47 ILE CA C 47 54.600 60.539 -5.939 1
1 35 . 19 1 1 A 47 47 ILE CB C 47 34.500 38.821 -4.321 1
1 39 . 19 1 1 A 47 47 ILE N N 47 115.000 121.208 -6.208 1
1 40 . 19 1 1 A 48 48 LEU H H 48 8.760 8.597 0.163 1
1 41 . 19 1 1 A 48 48 LEU HA H 48 4.260 4.404 -0.144 1
1 51 . 19 1 1 A 48 48 LEU C C 48 174.400 176.866 -2.466 1
1 52 . 19 1 1 A 48 48 LEU CA C 48 51.200 53.087 -1.887 1
1 53 . 19 1 1 A 48 48 LEU CB C 48 37.800 41.500 -3.700 1
1 57 . 19 1 1 A 48 48 LEU N N 48 127.400 127.515 -0.115 1
1 58 . 19 1 1 A 49 49 PRO HA H 49 4.170 4.320 -0.150 1
1 63 . 19 1 1 A 49 49 PRO CA C 49 62.500 64.940 -2.440 1
1 64 . 19 1 1 A 49 49 PRO CB C 49 28.900 31.854 -2.954 1
1 67 . 19 1 1 A 50 50 ASN H H 50 7.180 7.644 -0.464 1
1 68 . 19 1 1 A 50 50 ASN HA H 50 4.420 4.596 -0.176 1
1 73 . 19 1 1 A 50 50 ASN C C 50 173.700 176.614 -2.914 1
1 74 . 19 1 1 A 50 50 ASN CA C 50 49.500 52.322 -2.822 1
1 75 . 19 1 1 A 50 50 ASN CB C 50 34.400 37.463 -3.063 1
1 76 . 19 1 1 A 50 50 ASN N N 50 111.000 112.027 -1.027 1
1 78 . 19 1 1 A 51 51 GLY H H 51 8.370 8.126 0.244 1
1 79 . 19 1 1 A 51 51 GLY HA2 H 51 4.220 3.867 0.353 1
1 80 . 19 1 1 A 51 51 GLY HA3 H 51 3.400 3.928 -0.528 1
1 81 . 19 1 1 A 51 51 GLY C C 51 171.500 174.048 -2.548 1
1 82 . 19 1 1 A 51 51 GLY CA C 51 42.200 45.043 -2.843 1
1 83 . 19 1 1 A 51 51 GLY N N 51 108.400 109.356 -0.956 1
1 84 . 19 1 1 A 52 52 ASN H H 52 7.810 8.035 -0.225 1
1 85 . 19 1 1 A 52 52 ASN HA H 52 4.670 5.077 -0.407 1
1 90 . 19 1 1 A 52 52 ASN C C 52 170.900 174.815 -3.915 1
1 91 . 19 1 1 A 52 52 ASN CA C 52 49.400 53.292 -3.892 1
1 92 . 19 1 1 A 52 52 ASN CB C 52 36.100 39.766 -3.666 1
1 93 . 19 1 1 A 52 52 ASN N N 52 119.100 119.574 -0.474 1
1 95 . 19 1 1 A 53 53 ILE H H 53 8.070 8.054 0.016 1
1 96 . 19 1 1 A 53 53 ILE HA H 53 3.470 4.114 -0.644 1
1 106 . 19 1 1 A 53 53 ILE C C 53 172.300 174.597 -2.297 1
1 107 . 19 1 1 A 53 53 ILE CA C 53 59.100 59.304 -0.204 1
1 108 . 19 1 1 A 53 53 ILE CB C 53 36.000 39.591 -3.591 1
1 112 . 19 1 1 A 53 53 ILE N N 53 120.100 121.709 -1.609 1
1 113 . 19 1 1 A 54 54 ASN H H 54 8.700 8.407 0.293 1
1 114 . 19 1 1 A 54 54 ASN HA H 54 4.350 4.590 -0.240 1
1 119 . 19 1 1 A 54 54 ASN C C 54 172.300 175.620 -3.320 1
1 120 . 19 1 1 A 54 54 ASN CA C 54 47.500 51.835 -4.335 1
1 121 . 19 1 1 A 54 54 ASN CB C 54 34.200 37.136 -2.936 1
1 122 . 19 1 1 A 54 54 ASN N N 54 123.200 123.381 -0.181 1
1 124 . 19 1 1 A 55 55 TRP H H 55 7.520 7.850 -0.330 1
1 125 . 19 1 1 A 55 55 TRP HA H 55 4.300 4.744 -0.444 1
1 134 . 19 1 1 A 55 55 TRP C C 55 172.100 176.380 -4.280 1
1 135 . 19 1 1 A 55 55 TRP CA C 55 55.200 57.470 -2.270 1
1 136 . 19 1 1 A 55 55 TRP CB C 55 26.400 28.523 -2.123 1
1 137 . 19 1 1 A 55 55 TRP N N 55 124.600 124.728 -0.128 1
1 138 . 19 1 1 A 56 56 ASN H H 56 7.380 8.426 -1.046 1
1 139 . 19 1 1 A 56 56 ASN HA H 56 4.720 4.978 -0.258 1
1 144 . 19 1 1 A 56 56 ASN C C 56 172.100 175.123 -3.023 1
1 145 . 19 1 1 A 56 56 ASN CA C 56 49.500 52.685 -3.185 1
1 146 . 19 1 1 A 56 56 ASN CB C 56 36.200 39.774 -3.574 1
1 147 . 19 1 1 A 56 56 ASN N N 56 112.500 118.956 -6.456 1
1 149 . 19 1 1 A 57 57 CYS H H 57 7.460 7.292 0.168 1
1 150 . 19 1 1 A 57 57 CYS HA H 57 4.280 4.465 -0.185 1
1 153 . 19 1 1 A 57 57 CYS C C 57 173.000 174.761 -1.761 1
1 154 . 19 1 1 A 57 57 CYS CA C 57 54.900 58.731 -3.831 1
1 155 . 19 1 1 A 57 57 CYS CB C 57 25.000 27.094 -2.094 1
1 156 . 19 1 1 A 57 57 CYS N N 57 123.000 119.724 3.276 1
1 157 . 19 1 1 A 58 58 PRO HA H 58 4.200 4.318 -0.118 1
1 162 . 19 1 1 A 58 58 PRO CA C 58 62.700 66.099 -3.399 1
1 163 . 19 1 1 A 58 58 PRO CB C 58 29.300 31.169 -1.869 1
1 166 . 19 1 1 A 59 59 CYS HA H 59 4.390 4.119 0.271 1
1 168 . 19 1 1 A 59 59 CYS CA C 59 57.000 62.671 -5.671 1
1 169 . 19 1 1 A 59 59 CYS CB C 59 24.400 27.335 -2.935 1
1 170 . 19 1 1 A 60 60 LEU H H 60 7.500 8.154 -0.654 1
1 171 . 19 1 1 A 60 60 LEU HA H 60 4.180 4.090 0.090 1
1 181 . 19 1 1 A 60 60 LEU C C 60 175.700 178.934 -3.234 1
1 182 . 19 1 1 A 60 60 LEU CA C 60 52.000 57.929 -5.929 1
1 183 . 19 1 1 A 60 60 LEU CB C 60 39.000 41.583 -2.583 1
1 187 . 19 1 1 A 60 60 LEU N N 60 117.700 121.744 -4.044 1
1 188 . 19 1 1 A 61 61 GLY H H 61 7.880 8.264 -0.384 1
1 189 . 19 1 1 A 61 61 GLY HA2 H 61 3.830 3.733 0.097 1
1 190 . 19 1 1 A 61 61 GLY HA3 H 61 3.680 3.814 -0.134 1
1 191 . 19 1 1 A 61 61 GLY C C 61 172.700 176.017 -3.317 1
1 192 . 19 1 1 A 61 61 GLY CA C 61 44.700 47.164 -2.464 1
1 193 . 19 1 1 A 61 61 GLY N N 61 105.700 106.625 -0.925 1
1 194 . 19 1 1 A 62 62 GLY H H 62 8.580 8.553 0.027 1
1 195 . 19 1 1 A 62 62 GLY HA2 H 62 3.810 3.717 0.093 1
1 196 . 19 1 1 A 62 62 GLY HA3 H 62 3.680 3.731 -0.051 1
1 197 . 19 1 1 A 62 62 GLY C C 62 174.000 175.878 -1.878 1
1 198 . 19 1 1 A 62 62 GLY CA C 62 42.800 46.976 -4.176 1
1 199 . 19 1 1 A 62 62 GLY N N 62 108.500 109.948 -1.448 1
1 200 . 19 1 1 A 63 63 MET H H 63 7.460 7.724 -0.264 1
1 201 . 19 1 1 A 63 63 MET HA H 63 3.870 3.952 -0.082 1
1 206 . 19 1 1 A 63 63 MET C C 63 174.600 176.179 -1.579 1
1 207 . 19 1 1 A 63 63 MET CA C 63 54.400 56.623 -2.223 1
1 208 . 19 1 1 A 63 63 MET CB C 63 27.600 30.597 -2.997 1
1 210 . 19 1 1 A 63 63 MET N N 63 118.500 119.265 -0.765 1
1 211 . 19 1 1 A 64 64 ALA H H 64 8.080 7.477 0.603 1
1 212 . 19 1 1 A 64 64 ALA HA H 64 4.220 4.379 -0.159 1
1 216 . 19 1 1 A 64 64 ALA C C 64 173.800 177.143 -3.343 1
1 217 . 19 1 1 A 64 64 ALA CA C 64 50.400 51.854 -1.454 1
1 218 . 19 1 1 A 64 64 ALA CB C 64 16.500 20.052 -3.552 1
1 219 . 19 1 1 A 64 64 ALA N N 64 117.500 121.043 -3.543 1
1 220 . 19 1 1 A 65 65 SER H H 65 7.460 7.620 -0.160 1
1 221 . 19 1 1 A 65 65 SER HA H 65 4.570 4.403 0.167 1
1 224 . 19 1 1 A 65 65 SER C C 65 171.500 174.798 -3.298 1
1 225 . 19 1 1 A 65 65 SER CA C 65 54.800 59.261 -4.461 1
1 226 . 19 1 1 A 65 65 SER CB C 65 61.800 64.163 -2.363 1
1 227 . 19 1 1 A 65 65 SER N N 65 111.200 114.311 -3.111 1
1 228 . 19 1 1 A 66 66 GLY H H 66 7.480 8.675 -1.195 1
1 229 . 19 1 1 A 66 66 GLY HA2 H 66 3.980 4.119 -0.139 1
1 230 . 19 1 1 A 66 66 GLY HA3 H 66 4.030 4.143 -0.113 1
1 231 . 19 1 1 A 66 66 GLY C C 66 170.600 174.155 -3.555 1
1 232 . 19 1 1 A 66 66 GLY CA C 66 42.000 44.658 -2.658 1
1 233 . 19 1 1 A 66 66 GLY N N 66 108.800 110.250 -1.450 1
1 234 . 19 1 1 A 67 67 PRO HA H 67 4.210 4.358 -0.148 1
1 241 . 19 1 1 A 67 67 PRO CA C 67 62.000 65.500 -3.500 1
1 242 . 19 1 1 A 67 67 PRO CB C 67 28.900 31.341 -2.441 1
1 245 . 19 1 1 A 68 68 CYS H H 68 7.700 8.148 -0.448 1
1 246 . 19 1 1 A 68 68 CYS HA H 68 5.450 4.380 1.070 1
1 249 . 19 1 1 A 68 68 CYS C C 68 173.500 176.526 -3.026 1
1 250 . 19 1 1 A 68 68 CYS CA C 68 49.500 59.050 -9.550 1
1 251 . 19 1 1 A 68 68 CYS CB C 68 36.200 41.756 -5.556 1
1 252 . 19 1 1 A 68 68 CYS N N 68 115.300 114.706 0.594 1
1 253 . 19 1 1 A 69 69 GLY H H 69 7.840 8.530 -0.690 1
1 254 . 19 1 1 A 69 69 GLY HA2 H 69 3.950 3.815 0.135 1
1 255 . 19 1 1 A 69 69 GLY HA3 H 69 3.550 3.848 -0.298 1
1 256 . 19 1 1 A 69 69 GLY C C 69 173.300 176.291 -2.991 1
1 257 . 19 1 1 A 69 69 GLY CA C 69 45.200 46.983 -1.783 1
1 258 . 19 1 1 A 69 69 GLY N N 69 110.200 109.519 0.681 1
1 259 . 19 1 1 A 70 70 GLU H H 70 8.650 7.643 1.007 1
1 260 . 19 1 1 A 70 70 GLU HA H 70 3.760 3.887 -0.127 1
1 265 . 19 1 1 A 70 70 GLU C C 70 176.800 179.482 -2.682 1
1 266 . 19 1 1 A 70 70 GLU CA C 70 56.300 59.211 -2.911 1
1 267 . 19 1 1 A 70 70 GLU CB C 70 26.000 29.241 -3.241 1
1 269 . 19 1 1 A 70 70 GLU N N 70 120.000 120.966 -0.966 1
1 270 . 19 1 1 A 71 71 GLN H H 71 8.860 7.716 1.144 1
1 271 . 19 1 1 A 71 71 GLN HA H 71 3.850 4.011 -0.161 1
1 278 . 19 1 1 A 71 71 GLN C C 71 177.400 178.031 -0.631 1
1 279 . 19 1 1 A 71 71 GLN CA C 71 57.200 58.499 -1.299 1
1 280 . 19 1 1 A 71 71 GLN CB C 71 24.400 28.766 -4.366 1
1 282 . 19 1 1 A 71 71 GLN N N 71 120.800 120.170 0.630 1
1 284 . 19 1 1 A 72 72 PHE H H 72 8.890 7.775 1.115 1
1 285 . 19 1 1 A 72 72 PHE HA H 72 4.200 4.092 0.108 1
1 291 . 19 1 1 A 72 72 PHE C C 72 173.500 177.575 -4.075 1
1 292 . 19 1 1 A 72 72 PHE CA C 72 59.000 61.172 -2.172 1
1 293 . 19 1 1 A 72 72 PHE CB C 72 36.000 39.274 -3.274 1
1 294 . 19 1 1 A 72 72 PHE N N 72 123.400 122.317 1.083 1
1 295 . 19 1 1 A 73 73 LYS H H 73 8.480 8.125 0.355 1
1 296 . 19 1 1 A 73 73 LYS HA H 73 3.430 2.891 0.539 1
1 304 . 19 1 1 A 73 73 LYS C C 73 177.600 178.359 -0.759 1
1 305 . 19 1 1 A 73 73 LYS CA C 73 56.700 59.111 -2.411 1
1 306 . 19 1 1 A 73 73 LYS CB C 73 29.600 31.786 -2.186 1
1 310 . 19 1 1 A 73 73 LYS N N 73 119.900 118.272 1.628 1
1 311 . 19 1 1 A 74 74 SER H H 74 7.780 7.972 -0.192 1
1 312 . 19 1 1 A 74 74 SER HA H 74 4.120 4.014 0.106 1
1 315 . 19 1 1 A 74 74 SER C C 74 174.300 177.126 -2.826 1
1 316 . 19 1 1 A 74 74 SER CA C 74 58.700 61.579 -2.879 1
1 317 . 19 1 1 A 74 74 SER CB C 74 59.900 62.832 -2.932 1
1 318 . 19 1 1 A 74 74 SER N N 74 114.200 114.386 -0.186 1
1 319 . 19 1 1 A 75 75 ALA H H 75 7.870 8.211 -0.341 1
1 320 . 19 1 1 A 75 75 ALA HA H 75 3.840 3.804 0.036 1
1 324 . 19 1 1 A 75 75 ALA C C 75 175.100 179.847 -4.747 1
1 325 . 19 1 1 A 75 75 ALA CA C 75 53.200 54.780 -1.580 1
1 326 . 19 1 1 A 75 75 ALA CB C 75 15.500 18.073 -2.573 1
1 327 . 19 1 1 A 75 75 ALA N N 75 123.100 122.199 0.901 1
1 328 . 19 1 1 A 76 76 PHE H H 76 9.450 7.622 1.828 1
1 329 . 19 1 1 A 76 76 PHE HA H 76 3.700 4.256 -0.556 1
1 334 . 19 1 1 A 76 76 PHE C C 76 174.600 178.139 -3.539 1
1 335 . 19 1 1 A 76 76 PHE CA C 76 59.600 61.723 -2.123 1
1 336 . 19 1 1 A 76 76 PHE CB C 76 35.800 38.645 -2.845 1
1 337 . 19 1 1 A 76 76 PHE N N 76 118.800 118.833 -0.033 1
1 338 . 19 1 1 A 77 77 SER H H 77 8.550 8.667 -0.117 1
1 339 . 19 1 1 A 77 77 SER HA H 77 4.130 4.405 -0.275 1
1 341 . 19 1 1 A 77 77 SER C C 77 172.200 176.695 -4.495 1
1 342 . 19 1 1 A 77 77 SER CA C 77 60.100 61.364 -1.264 1
1 343 . 19 1 1 A 77 77 SER CB C 77 59.800 62.147 -2.347 1
1 344 . 19 1 1 A 77 77 SER N N 77 113.200 113.710 -0.510 1
1 345 . 19 1 1 A 78 78 CYS H H 78 7.430 8.401 -0.971 1
1 346 . 19 1 1 A 78 78 CYS HA H 78 4.080 4.068 0.012 1
1 349 . 19 1 1 A 78 78 CYS C C 78 174.000 176.014 -2.014 1
1 350 . 19 1 1 A 78 78 CYS CA C 78 57.900 60.444 -2.544 1
1 351 . 19 1 1 A 78 78 CYS CB C 78 36.400 39.885 -3.485 1
1 352 . 19 1 1 A 78 78 CYS N N 78 118.900 119.606 -0.706 1
1 353 . 19 1 1 A 79 79 PHE H H 79 8.270 8.421 -0.151 1
1 354 . 19 1 1 A 79 79 PHE HA H 79 3.740 4.230 -0.490 1
1 359 . 19 1 1 A 79 79 PHE C C 79 173.600 177.522 -3.922 1
1 360 . 19 1 1 A 79 79 PHE CA C 79 59.200 61.779 -2.579 1
1 361 . 19 1 1 A 79 79 PHE CB C 79 37.000 38.961 -1.961 1
1 362 . 19 1 1 A 79 79 PHE N N 79 120.400 121.653 -1.253 1
1 363 . 19 1 1 A 80 80 HIS H H 80 8.840 8.463 0.377 1
1 364 . 19 1 1 A 80 80 HIS HA H 80 3.460 4.042 -0.582 1
1 368 . 19 1 1 A 80 80 HIS C C 80 175.700 176.842 -1.142 1
1 369 . 19 1 1 A 80 80 HIS CA C 80 57.000 59.368 -2.368 1
1 370 . 19 1 1 A 80 80 HIS CB C 80 28.300 30.505 -2.205 1
1 371 . 19 1 1 A 80 80 HIS N N 80 118.400 118.545 -0.145 1
1 372 . 19 1 1 A 81 81 TYR H H 81 7.710 8.778 -1.068 1
1 373 . 19 1 1 A 81 81 TYR HA H 81 4.080 4.108 -0.028 1
1 378 . 19 1 1 A 81 81 TYR C C 81 172.400 177.091 -4.691 1
1 379 . 19 1 1 A 81 81 TYR CA C 81 56.100 61.294 -5.194 1
1 380 . 19 1 1 A 81 81 TYR CB C 81 34.800 37.453 -2.653 1
1 381 . 19 1 1 A 81 81 TYR N N 81 113.400 116.868 -3.468 1
1 382 . 19 1 1 A 82 82 SER H H 82 7.070 7.752 -0.682 1
1 383 . 19 1 1 A 82 82 SER HA H 82 4.410 4.418 -0.008 1
1 386 . 19 1 1 A 82 82 SER C C 82 174.500 174.414 0.086 1
1 387 . 19 1 1 A 82 82 SER CA C 82 56.300 60.842 -4.542 1
1 388 . 19 1 1 A 82 82 SER CB C 82 59.200 63.816 -4.616 1
1 389 . 19 1 1 A 82 82 SER N N 82 115.600 115.638 -0.038 1
1 390 . 19 1 1 A 83 83 THR H H 83 9.290 7.955 1.335 1
1 391 . 19 1 1 A 83 83 THR HA H 83 4.400 3.742 0.658 1
1 396 . 19 1 1 A 83 83 THR C C 83 172.200 174.208 -2.008 1
1 397 . 19 1 1 A 83 83 THR CA C 83 57.500 63.269 -5.769 1
1 398 . 19 1 1 A 83 83 THR CB C 83 65.800 66.596 -0.796 1
1 400 . 19 1 1 A 83 83 THR N N 83 120.400 114.490 5.910 1
1 401 . 19 1 1 A 84 84 GLU H H 84 7.170 8.145 -0.975 1
1 402 . 19 1 1 A 84 84 GLU HA H 84 3.860 4.132 -0.272 1
1 406 . 19 1 1 A 84 84 GLU C C 84 173.300 176.668 -3.368 1
1 407 . 19 1 1 A 84 84 GLU CA C 84 53.100 59.090 -5.990 1
1 408 . 19 1 1 A 84 84 GLU CB C 84 28.400 30.146 -1.746 1
1 410 . 19 1 1 A 84 84 GLU N N 84 121.600 122.170 -0.570 1
1 411 . 19 1 1 A 85 85 GLU H H 85 8.390 7.916 0.474 1
1 412 . 19 1 1 A 85 85 GLU HA H 85 3.730 4.498 -0.768 1
1 417 . 19 1 1 A 85 85 GLU C C 85 175.500 175.731 -0.231 1
1 418 . 19 1 1 A 85 85 GLU CA C 85 56.700 56.881 -0.181 1
1 419 . 19 1 1 A 85 85 GLU CB C 85 26.900 30.323 -3.423 1
1 421 . 19 1 1 A 85 85 GLU N N 85 121.800 113.644 8.156 1
1 422 . 19 1 1 A 86 86 ILE H H 86 8.060 8.313 -0.253 1
1 423 . 19 1 1 A 86 86 ILE HA H 86 4.060 4.017 0.043 1
1 433 . 19 1 1 A 86 86 ILE C C 86 172.400 175.807 -3.407 1
1 434 . 19 1 1 A 86 86 ILE CA C 86 56.800 61.902 -5.102 1
1 435 . 19 1 1 A 86 86 ILE CB C 86 32.700 38.195 -5.495 1
1 439 . 19 1 1 A 86 86 ILE N N 86 117.800 121.437 -3.637 1
1 440 . 19 1 1 A 87 87 LYS H H 87 8.200 8.501 -0.301 1
1 441 . 19 1 1 A 87 87 LYS HA H 87 3.470 2.191 1.279 1
1 450 . 19 1 1 A 87 87 LYS C C 87 175.200 176.738 -1.538 1
1 451 . 19 1 1 A 87 87 LYS CA C 87 56.800 57.552 -0.752 1
1 452 . 19 1 1 A 87 87 LYS CB C 87 30.300 31.409 -1.109 1
1 456 . 19 1 1 A 87 87 LYS N N 87 130.300 125.674 4.626 1
1 457 . 19 1 1 A 88 88 GLY H H 88 8.820 7.833 0.987 1
1 458 . 19 1 1 A 88 88 GLY HA2 H 88 4.440 2.640 1.800 1
1 459 . 19 1 1 A 88 88 GLY HA3 H 88 3.560 3.786 -0.226 1
1 460 . 19 1 1 A 88 88 GLY C C 88 172.800 175.280 -2.480 1
1 461 . 19 1 1 A 88 88 GLY CA C 88 42.800 45.216 -2.416 1
1 462 . 19 1 1 A 88 88 GLY N N 88 110.400 113.252 -2.852 1
1 463 . 19 1 1 A 89 89 SER H H 89 8.570 7.995 0.575 1
1 464 . 19 1 1 A 89 89 SER HA H 89 4.040 4.039 0.001 1
1 467 . 19 1 1 A 89 89 SER C C 89 171.300 175.093 -3.793 1
1 468 . 19 1 1 A 89 89 SER CA C 89 58.200 61.705 -3.505 1
1 469 . 19 1 1 A 89 89 SER CB C 89 59.200 62.761 -3.561 1
1 470 . 19 1 1 A 89 89 SER N N 89 118.000 115.738 2.262 1
1 471 . 19 1 1 A 90 90 ASP H H 90 10.480 8.214 2.266 1
1 472 . 19 1 1 A 90 90 ASP HA H 90 4.580 4.615 -0.035 1
1 475 . 19 1 1 A 90 90 ASP C C 90 173.500 176.866 -3.366 1
1 476 . 19 1 1 A 90 90 ASP CA C 90 50.500 53.232 -2.732 1
1 477 . 19 1 1 A 90 90 ASP CB C 90 34.900 39.870 -4.970 1
1 478 . 19 1 1 A 90 90 ASP N N 90 116.400 116.922 -0.522 1
1 479 . 19 1 1 A 91 91 CYS H H 91 7.420 7.905 -0.485 1
1 480 . 19 1 1 A 91 91 CYS HA H 91 5.180 4.892 0.288 1
1 483 . 19 1 1 A 91 91 CYS C C 91 172.800 174.470 -1.670 1
1 484 . 19 1 1 A 91 91 CYS CA C 91 50.600 55.647 -5.047 1
1 485 . 19 1 1 A 91 91 CYS CB C 91 38.000 43.530 -5.530 1
1 486 . 19 1 1 A 91 91 CYS N N 91 117.300 117.171 0.129 1
1 487 . 19 1 1 A 92 92 VAL H H 92 7.320 7.719 -0.399 1
1 488 . 19 1 1 A 92 92 VAL HA H 92 3.470 3.760 -0.290 1
1 496 . 19 1 1 A 92 92 VAL C C 92 175.700 177.324 -1.624 1
1 497 . 19 1 1 A 92 92 VAL CA C 92 64.000 65.400 -1.400 1
1 498 . 19 1 1 A 92 92 VAL CB C 92 29.300 32.029 -2.729 1
1 501 . 19 1 1 A 92 92 VAL N N 92 120.500 121.511 -1.011 1
1 502 . 19 1 1 A 93 93 ASP H H 93 8.870 8.152 0.718 1
1 503 . 19 1 1 A 93 93 ASP HA H 93 4.280 4.426 -0.146 1
1 505 . 19 1 1 A 93 93 ASP C C 93 176.500 178.357 -1.857 1
1 506 . 19 1 1 A 93 93 ASP CA C 93 55.100 57.042 -1.942 1
1 507 . 19 1 1 A 93 93 ASP CB C 93 36.800 41.427 -4.627 1
1 508 . 19 1 1 A 93 93 ASP N N 93 120.500 121.038 -0.538 1
1 509 . 19 1 1 A 94 94 GLN H H 94 9.140 7.702 1.438 1
1 510 . 19 1 1 A 94 94 GLN HA H 94 3.920 4.096 -0.176 1
1 517 . 19 1 1 A 94 94 GLN C C 94 178.100 178.720 -0.620 1
1 518 . 19 1 1 A 94 94 GLN CA C 94 57.100 58.533 -1.433 1
1 519 . 19 1 1 A 94 94 GLN CB C 94 24.500 28.776 -4.276 1
1 521 . 19 1 1 A 94 94 GLN N N 94 121.800 118.088 3.712 1
1 523 . 19 1 1 A 95 95 PHE H H 95 8.920 7.901 1.019 1
1 524 . 19 1 1 A 95 95 PHE HA H 95 4.130 4.255 -0.125 1
1 529 . 19 1 1 A 95 95 PHE C C 95 175.100 178.112 -3.012 1
1 530 . 19 1 1 A 95 95 PHE CA C 95 57.500 60.623 -3.123 1
1 531 . 19 1 1 A 95 95 PHE CB C 95 34.500 38.504 -4.004 1
1 532 . 19 1 1 A 95 95 PHE N N 95 122.500 119.315 3.185 1
1 533 . 19 1 1 A 96 96 ARG H H 96 8.500 8.471 0.029 1
1 534 . 19 1 1 A 96 96 ARG HA H 96 4.040 3.865 0.175 1
1 540 . 19 1 1 A 96 96 ARG C C 96 175.700 178.261 -2.561 1
1 541 . 19 1 1 A 96 96 ARG CA C 96 56.800 59.837 -3.037 1
1 542 . 19 1 1 A 96 96 ARG CB C 96 26.800 29.370 -2.570 1
1 545 . 19 1 1 A 96 96 ARG N N 96 121.600 120.986 0.614 1
1 546 . 19 1 1 A 97 97 ALA H H 97 7.960 8.297 -0.337 1
1 547 . 19 1 1 A 97 97 ALA HA H 97 4.110 4.056 0.054 1
1 551 . 19 1 1 A 97 97 ALA C C 97 178.600 179.783 -1.183 1
1 552 . 19 1 1 A 97 97 ALA CA C 97 52.100 55.275 -3.175 1
1 553 . 19 1 1 A 97 97 ALA CB C 97 15.200 17.804 -2.604 1
1 554 . 19 1 1 A 97 97 ALA N N 97 120.300 120.552 -0.252 1
1 555 . 19 1 1 A 98 98 MET H H 98 7.600 8.335 -0.735 1
1 556 . 19 1 1 A 98 98 MET HA H 98 3.830 3.970 -0.140 1
1 559 . 19 1 1 A 98 98 MET C C 98 173.900 178.236 -4.336 1
1 560 . 19 1 1 A 98 98 MET CA C 98 56.400 58.360 -1.960 1
1 561 . 19 1 1 A 98 98 MET CB C 98 30.100 32.031 -1.931 1
1 563 . 19 1 1 A 98 98 MET N N 98 118.400 118.815 -0.415 1
1 564 . 19 1 1 A 99 99 GLN H H 99 8.410 8.165 0.245 1
1 565 . 19 1 1 A 99 99 GLN HA H 99 3.800 4.072 -0.272 1
1 569 . 19 1 1 A 99 99 GLN C C 99 173.400 178.088 -4.688 1
1 570 . 19 1 1 A 99 99 GLN CA C 99 56.800 58.965 -2.165 1
1 571 . 19 1 1 A 99 99 GLN CB C 99 25.900 28.248 -2.348 1
1 573 . 19 1 1 A 99 99 GLN N N 99 120.800 119.197 1.603 1
1 574 . 19 1 1 A 100 100 GLU H H 100 8.510 8.390 0.120 1
1 575 . 19 1 1 A 100 100 GLU HA H 100 3.820 3.992 -0.172 1
1 580 . 19 1 1 A 100 100 GLU C C 100 175.900 178.606 -2.706 1
1 581 . 19 1 1 A 100 100 GLU CA C 100 56.500 59.455 -2.955 1
1 582 . 19 1 1 A 100 100 GLU CB C 100 26.900 28.835 -1.935 1
1 584 . 19 1 1 A 100 100 GLU N N 100 117.600 117.037 0.563 1
1 585 . 19 1 1 A 101 101 CYS H H 101 7.310 7.768 -0.458 1
1 586 . 19 1 1 A 101 101 CYS HA H 101 4.230 3.731 0.499 1
1 589 . 19 1 1 A 101 101 CYS C C 101 173.800 176.340 -2.540 1
1 590 . 19 1 1 A 101 101 CYS CA C 101 57.800 59.481 -1.681 1
1 591 . 19 1 1 A 101 101 CYS CB C 101 36.500 41.610 -5.110 1
1 592 . 19 1 1 A 101 101 CYS N N 101 117.800 119.036 -1.236 1
1 593 . 19 1 1 A 102 102 MET H H 102 8.400 8.256 0.144 1
1 594 . 19 1 1 A 102 102 MET HA H 102 3.820 4.501 -0.681 1
1 599 . 19 1 1 A 102 102 MET C C 102 177.100 177.422 -0.322 1
1 600 . 19 1 1 A 102 102 MET CA C 102 57.100 56.956 0.144 1
1 601 . 19 1 1 A 102 102 MET CB C 102 30.200 31.672 -1.472 1
1 603 . 19 1 1 A 102 102 MET N N 102 119.100 119.574 -0.474 1
1 604 . 19 1 1 A 103 103 GLN H H 103 7.850 7.967 -0.117 1
1 605 . 19 1 1 A 103 103 GLN HA H 103 3.960 4.146 -0.186 1
1 612 . 19 1 1 A 103 103 GLN C C 103 174.000 177.652 -3.652 1
1 613 . 19 1 1 A 103 103 GLN CA C 103 55.000 58.329 -3.329 1
1 614 . 19 1 1 A 103 103 GLN CB C 103 25.900 28.556 -2.656 1
1 616 . 19 1 1 A 103 103 GLN N N 103 117.200 117.504 -0.304 1
1 618 . 19 1 1 A 104 104 LYS H H 104 7.470 7.637 -0.167 1
1 619 . 19 1 1 A 104 104 LYS HA H 104 3.880 4.167 -0.287 1
1 626 . 19 1 1 A 104 104 LYS C C 104 173.200 176.222 -3.022 1
1 627 . 19 1 1 A 104 104 LYS CA C 104 54.600 58.451 -3.851 1
1 628 . 19 1 1 A 104 104 LYS CB C 104 29.600 32.999 -3.399 1
1 632 . 19 1 1 A 104 104 LYS N N 104 116.700 118.159 -1.459 1
1 633 . 19 1 1 A 105 105 TYR H H 105 7.390 8.078 -0.688 1
1 634 . 19 1 1 A 105 105 TYR HA H 105 5.040 4.990 0.050 1
1 639 . 19 1 1 A 105 105 TYR C C 105 170.800 174.756 -3.956 1
1 640 . 19 1 1 A 105 105 TYR CA C 105 52.300 55.000 -2.700 1
1 641 . 19 1 1 A 105 105 TYR CB C 105 36.700 38.516 -1.816 1
1 642 . 19 1 1 A 105 105 TYR N N 105 115.700 117.787 -2.087 1
1 643 . 19 1 1 A 106 106 PRO HA H 106 4.470 4.628 -0.158 1
1 650 . 19 1 1 A 106 106 PRO CA C 106 61.800 64.781 -2.981 1
1 651 . 19 1 1 A 106 106 PRO CB C 106 29.000 32.194 -3.194 1
1 654 . 19 1 1 A 107 107 ASP H H 107 8.750 7.918 0.832 1
1 655 . 19 1 1 A 107 107 ASP HA H 107 4.310 5.010 -0.700 1
1 658 . 19 1 1 A 107 107 ASP C C 107 174.000 175.481 -1.481 1
1 659 . 19 1 1 A 107 107 ASP CA C 107 52.200 53.010 -0.810 1
1 660 . 19 1 1 A 107 107 ASP CB C 107 36.800 41.666 -4.866 1
1 661 . 19 1 1 A 107 107 ASP N N 107 114.800 116.414 -1.614 1
1 662 . 19 1 1 A 108 108 LEU H H 108 7.270 7.488 -0.218 1
1 663 . 19 1 1 A 108 108 LEU HA H 108 4.030 3.930 0.100 1
1 673 . 19 1 1 A 108 108 LEU C C 108 173.800 177.897 -4.097 1
1 674 . 19 1 1 A 108 108 LEU CA C 108 52.500 56.495 -3.995 1
1 675 . 19 1 1 A 108 108 LEU CB C 108 40.000 41.438 -1.438 1
1 679 . 19 1 1 A 108 108 LEU N N 108 118.900 120.739 -1.839 1
1 7 . 20 1 1 A 46 46 LEU HA H 46 3.970 4.140 -0.170 1
1 17 . 20 1 1 A 46 46 LEU CA C 46 55.000 57.468 -2.468 1
1 18 . 20 1 1 A 46 46 LEU CB C 46 40.300 41.595 -1.295 1
1 22 . 20 1 1 A 47 47 ILE H H 47 7.570 7.517 0.053 1
1 23 . 20 1 1 A 47 47 ILE HA H 47 4.270 3.906 0.364 1
1 33 . 20 1 1 A 47 47 ILE C C 47 174.500 175.914 -1.414 1
1 34 . 20 1 1 A 47 47 ILE CA C 47 54.600 61.366 -6.766 1
1 35 . 20 1 1 A 47 47 ILE CB C 47 34.500 38.608 -4.108 1
1 39 . 20 1 1 A 47 47 ILE N N 47 115.000 121.018 -6.018 1
1 40 . 20 1 1 A 48 48 LEU H H 48 8.760 8.754 0.006 1
1 41 . 20 1 1 A 48 48 LEU HA H 48 4.260 4.447 -0.187 1
1 51 . 20 1 1 A 48 48 LEU C C 48 174.400 177.045 -2.645 1
1 52 . 20 1 1 A 48 48 LEU CA C 48 51.200 53.197 -1.997 1
1 53 . 20 1 1 A 48 48 LEU CB C 48 37.800 41.307 -3.507 1
1 57 . 20 1 1 A 48 48 LEU N N 48 127.400 127.453 -0.053 1
1 58 . 20 1 1 A 49 49 PRO HA H 49 4.170 4.189 -0.019 1
1 63 . 20 1 1 A 49 49 PRO CA C 49 62.500 65.331 -2.831 1
1 64 . 20 1 1 A 49 49 PRO CB C 49 28.900 31.503 -2.603 1
1 67 . 20 1 1 A 50 50 ASN H H 50 7.180 7.626 -0.446 1
1 68 . 20 1 1 A 50 50 ASN HA H 50 4.420 4.566 -0.146 1
1 73 . 20 1 1 A 50 50 ASN C C 50 173.700 176.324 -2.624 1
1 74 . 20 1 1 A 50 50 ASN CA C 50 49.500 52.390 -2.890 1
1 75 . 20 1 1 A 50 50 ASN CB C 50 34.400 37.735 -3.335 1
1 76 . 20 1 1 A 50 50 ASN N N 50 111.000 111.849 -0.849 1
1 78 . 20 1 1 A 51 51 GLY H H 51 8.370 8.141 0.229 1
1 79 . 20 1 1 A 51 51 GLY HA2 H 51 4.220 3.799 0.421 1
1 80 . 20 1 1 A 51 51 GLY HA3 H 51 3.400 3.820 -0.420 1
1 81 . 20 1 1 A 51 51 GLY C C 51 171.500 174.168 -2.668 1
1 82 . 20 1 1 A 51 51 GLY CA C 51 42.200 44.907 -2.707 1
1 83 . 20 1 1 A 51 51 GLY N N 51 108.400 108.727 -0.327 1
1 84 . 20 1 1 A 52 52 ASN H H 52 7.810 8.120 -0.310 1
1 85 . 20 1 1 A 52 52 ASN HA H 52 4.670 4.981 -0.311 1
1 90 . 20 1 1 A 52 52 ASN C C 52 170.900 174.965 -4.065 1
1 91 . 20 1 1 A 52 52 ASN CA C 52 49.400 53.342 -3.942 1
1 92 . 20 1 1 A 52 52 ASN CB C 52 36.100 40.184 -4.084 1
1 93 . 20 1 1 A 52 52 ASN N N 52 119.100 120.189 -1.089 1
1 95 . 20 1 1 A 53 53 ILE H H 53 8.070 8.367 -0.297 1
1 96 . 20 1 1 A 53 53 ILE HA H 53 3.470 3.910 -0.440 1
1 106 . 20 1 1 A 53 53 ILE C C 53 172.300 175.148 -2.848 1
1 107 . 20 1 1 A 53 53 ILE CA C 53 59.100 60.034 -0.934 1
1 108 . 20 1 1 A 53 53 ILE CB C 53 36.000 37.339 -1.339 1
1 112 . 20 1 1 A 53 53 ILE N N 53 120.100 123.959 -3.859 1
1 113 . 20 1 1 A 54 54 ASN H H 54 8.700 8.684 0.016 1
1 114 . 20 1 1 A 54 54 ASN HA H 54 4.350 4.691 -0.341 1
1 119 . 20 1 1 A 54 54 ASN C C 54 172.300 175.547 -3.247 1
1 120 . 20 1 1 A 54 54 ASN CA C 54 47.500 51.998 -4.498 1
1 121 . 20 1 1 A 54 54 ASN CB C 54 34.200 37.686 -3.486 1
1 122 . 20 1 1 A 54 54 ASN N N 54 123.200 124.710 -1.510 1
1 124 . 20 1 1 A 55 55 TRP H H 55 7.520 7.651 -0.131 1
1 125 . 20 1 1 A 55 55 TRP HA H 55 4.300 4.528 -0.228 1
1 134 . 20 1 1 A 55 55 TRP C C 55 172.100 177.798 -5.698 1
1 135 . 20 1 1 A 55 55 TRP CA C 55 55.200 60.001 -4.801 1
1 136 . 20 1 1 A 55 55 TRP CB C 55 26.400 28.534 -2.134 1
1 137 . 20 1 1 A 55 55 TRP N N 55 124.600 124.891 -0.291 1
1 138 . 20 1 1 A 56 56 ASN H H 56 7.380 8.108 -0.728 1
1 139 . 20 1 1 A 56 56 ASN HA H 56 4.720 4.898 -0.178 1
1 144 . 20 1 1 A 56 56 ASN C C 56 172.100 175.842 -3.742 1
1 145 . 20 1 1 A 56 56 ASN CA C 56 49.500 54.030 -4.530 1
1 146 . 20 1 1 A 56 56 ASN CB C 56 36.200 38.577 -2.377 1
1 147 . 20 1 1 A 56 56 ASN N N 56 112.500 116.513 -4.013 1
1 149 . 20 1 1 A 57 57 CYS H H 57 7.460 7.848 -0.388 1
1 150 . 20 1 1 A 57 57 CYS HA H 57 4.280 4.458 -0.178 1
1 153 . 20 1 1 A 57 57 CYS C C 57 173.000 173.381 -0.381 1
1 154 . 20 1 1 A 57 57 CYS CA C 57 54.900 59.011 -4.111 1
1 155 . 20 1 1 A 57 57 CYS CB C 57 25.000 27.729 -2.729 1
1 156 . 20 1 1 A 57 57 CYS N N 57 123.000 118.982 4.018 1
1 157 . 20 1 1 A 58 58 PRO HA H 58 4.200 4.356 -0.156 1
1 162 . 20 1 1 A 58 58 PRO CA C 58 62.700 63.640 -0.940 1
1 163 . 20 1 1 A 58 58 PRO CB C 58 29.300 31.934 -2.634 1
1 166 . 20 1 1 A 59 59 CYS HA H 59 4.390 4.288 0.102 1
1 168 . 20 1 1 A 59 59 CYS CA C 59 57.000 61.192 -4.192 1
1 169 . 20 1 1 A 59 59 CYS CB C 59 24.400 27.350 -2.950 1
1 170 . 20 1 1 A 60 60 LEU H H 60 7.500 8.371 -0.871 1
1 171 . 20 1 1 A 60 60 LEU HA H 60 4.180 4.029 0.151 1
1 181 . 20 1 1 A 60 60 LEU C C 60 175.700 178.896 -3.196 1
1 182 . 20 1 1 A 60 60 LEU CA C 60 52.000 57.951 -5.951 1
1 183 . 20 1 1 A 60 60 LEU CB C 60 39.000 42.080 -3.080 1
1 187 . 20 1 1 A 60 60 LEU N N 60 117.700 121.889 -4.189 1
1 188 . 20 1 1 A 61 61 GLY H H 61 7.880 8.386 -0.506 1
1 189 . 20 1 1 A 61 61 GLY HA2 H 61 3.830 3.770 0.060 1
1 190 . 20 1 1 A 61 61 GLY HA3 H 61 3.680 3.852 -0.172 1
1 191 . 20 1 1 A 61 61 GLY C C 61 172.700 176.031 -3.331 1
1 192 . 20 1 1 A 61 61 GLY CA C 61 44.700 47.351 -2.651 1
1 193 . 20 1 1 A 61 61 GLY N N 61 105.700 106.520 -0.820 1
1 194 . 20 1 1 A 62 62 GLY H H 62 8.580 8.193 0.387 1
1 195 . 20 1 1 A 62 62 GLY HA2 H 62 3.810 3.821 -0.011 1
1 196 . 20 1 1 A 62 62 GLY HA3 H 62 3.680 3.825 -0.145 1
1 197 . 20 1 1 A 62 62 GLY C C 62 174.000 176.163 -2.163 1
1 198 . 20 1 1 A 62 62 GLY CA C 62 42.800 46.994 -4.194 1
1 199 . 20 1 1 A 62 62 GLY N N 62 108.500 109.677 -1.177 1
1 200 . 20 1 1 A 63 63 MET H H 63 7.460 7.926 -0.466 1
1 201 . 20 1 1 A 63 63 MET HA H 63 3.870 3.834 0.036 1
1 206 . 20 1 1 A 63 63 MET C C 63 174.600 176.792 -2.192 1
1 207 . 20 1 1 A 63 63 MET CA C 63 54.400 57.355 -2.955 1
1 208 . 20 1 1 A 63 63 MET CB C 63 27.600 31.005 -3.405 1
1 210 . 20 1 1 A 63 63 MET N N 63 118.500 119.672 -1.172 1
1 211 . 20 1 1 A 64 64 ALA H H 64 8.080 6.828 1.252 1
1 212 . 20 1 1 A 64 64 ALA HA H 64 4.220 4.215 0.005 1
1 216 . 20 1 1 A 64 64 ALA C C 64 173.800 176.868 -3.068 1
1 217 . 20 1 1 A 64 64 ALA CA C 64 50.400 51.966 -1.566 1
1 218 . 20 1 1 A 64 64 ALA CB C 64 16.500 19.509 -3.009 1
1 219 . 20 1 1 A 64 64 ALA N N 64 117.500 119.935 -2.435 1
1 220 . 20 1 1 A 65 65 SER H H 65 7.460 7.528 -0.068 1
1 221 . 20 1 1 A 65 65 SER HA H 65 4.570 4.675 -0.105 1
1 224 . 20 1 1 A 65 65 SER C C 65 171.500 174.659 -3.159 1
1 225 . 20 1 1 A 65 65 SER CA C 65 54.800 57.578 -2.778 1
1 226 . 20 1 1 A 65 65 SER CB C 65 61.800 64.822 -3.022 1
1 227 . 20 1 1 A 65 65 SER N N 65 111.200 114.342 -3.142 1
1 228 . 20 1 1 A 66 66 GLY H H 66 7.480 8.515 -1.035 1
1 229 . 20 1 1 A 66 66 GLY HA2 H 66 3.980 3.801 0.179 1
1 230 . 20 1 1 A 66 66 GLY HA3 H 66 4.030 3.976 0.054 1
1 231 . 20 1 1 A 66 66 GLY C C 66 170.600 174.007 -3.407 1
1 232 . 20 1 1 A 66 66 GLY CA C 66 42.000 44.266 -2.266 1
1 233 . 20 1 1 A 66 66 GLY N N 66 108.800 110.798 -1.998 1
1 234 . 20 1 1 A 67 67 PRO HA H 67 4.210 4.333 -0.123 1
1 241 . 20 1 1 A 67 67 PRO CA C 67 62.000 64.835 -2.835 1
1 242 . 20 1 1 A 67 67 PRO CB C 67 28.900 31.459 -2.559 1
1 245 . 20 1 1 A 68 68 CYS H H 68 7.700 7.810 -0.110 1
1 246 . 20 1 1 A 68 68 CYS HA H 68 5.450 4.485 0.965 1
1 249 . 20 1 1 A 68 68 CYS C C 68 173.500 175.504 -2.004 1
1 250 . 20 1 1 A 68 68 CYS CA C 68 49.500 58.106 -8.606 1
1 251 . 20 1 1 A 68 68 CYS CB C 68 36.200 42.148 -5.948 1
1 252 . 20 1 1 A 68 68 CYS N N 68 115.300 114.675 0.625 1
1 253 . 20 1 1 A 69 69 GLY H H 69 7.840 7.966 -0.126 1
1 254 . 20 1 1 A 69 69 GLY HA2 H 69 3.950 3.682 0.268 1
1 255 . 20 1 1 A 69 69 GLY HA3 H 69 3.550 3.696 -0.146 1
1 256 . 20 1 1 A 69 69 GLY C C 69 173.300 175.887 -2.587 1
1 257 . 20 1 1 A 69 69 GLY CA C 69 45.200 47.237 -2.037 1
1 258 . 20 1 1 A 69 69 GLY N N 69 110.200 109.598 0.602 1
1 259 . 20 1 1 A 70 70 GLU H H 70 8.650 8.537 0.113 1
1 260 . 20 1 1 A 70 70 GLU HA H 70 3.760 3.913 -0.153 1
1 265 . 20 1 1 A 70 70 GLU C C 70 176.800 178.502 -1.702 1
1 266 . 20 1 1 A 70 70 GLU CA C 70 56.300 59.113 -2.813 1
1 267 . 20 1 1 A 70 70 GLU CB C 70 26.000 28.881 -2.881 1
1 269 . 20 1 1 A 70 70 GLU N N 70 120.000 121.163 -1.163 1
1 270 . 20 1 1 A 71 71 GLN H H 71 8.860 7.788 1.072 1
1 271 . 20 1 1 A 71 71 GLN HA H 71 3.850 3.989 -0.139 1
1 278 . 20 1 1 A 71 71 GLN C C 71 177.400 178.199 -0.799 1
1 279 . 20 1 1 A 71 71 GLN CA C 71 57.200 58.689 -1.489 1
1 280 . 20 1 1 A 71 71 GLN CB C 71 24.400 28.504 -4.104 1
1 282 . 20 1 1 A 71 71 GLN N N 71 120.800 118.959 1.841 1
1 284 . 20 1 1 A 72 72 PHE H H 72 8.890 7.851 1.039 1
1 285 . 20 1 1 A 72 72 PHE HA H 72 4.200 4.018 0.182 1
1 291 . 20 1 1 A 72 72 PHE C C 72 173.500 177.570 -4.070 1
1 292 . 20 1 1 A 72 72 PHE CA C 72 59.000 61.218 -2.218 1
1 293 . 20 1 1 A 72 72 PHE CB C 72 36.000 39.254 -3.254 1
1 294 . 20 1 1 A 72 72 PHE N N 72 123.400 120.951 2.449 1
1 295 . 20 1 1 A 73 73 LYS H H 73 8.480 8.193 0.287 1
1 296 . 20 1 1 A 73 73 LYS HA H 73 3.430 3.176 0.254 1
1 304 . 20 1 1 A 73 73 LYS C C 73 177.600 178.660 -1.060 1
1 305 . 20 1 1 A 73 73 LYS CA C 73 56.700 59.425 -2.725 1
1 306 . 20 1 1 A 73 73 LYS CB C 73 29.600 31.850 -2.250 1
1 310 . 20 1 1 A 73 73 LYS N N 73 119.900 118.037 1.863 1
1 311 . 20 1 1 A 74 74 SER H H 74 7.780 8.086 -0.306 1
1 312 . 20 1 1 A 74 74 SER HA H 74 4.120 4.084 0.036 1
1 315 . 20 1 1 A 74 74 SER C C 74 174.300 177.365 -3.065 1
1 316 . 20 1 1 A 74 74 SER CA C 74 58.700 61.543 -2.843 1
1 317 . 20 1 1 A 74 74 SER CB C 74 59.900 62.951 -3.051 1
1 318 . 20 1 1 A 74 74 SER N N 74 114.200 114.092 0.108 1
1 319 . 20 1 1 A 75 75 ALA H H 75 7.870 8.133 -0.263 1
1 320 . 20 1 1 A 75 75 ALA HA H 75 3.840 3.782 0.058 1
1 324 . 20 1 1 A 75 75 ALA C C 75 175.100 179.553 -4.453 1
1 325 . 20 1 1 A 75 75 ALA CA C 75 53.200 54.684 -1.484 1
1 326 . 20 1 1 A 75 75 ALA CB C 75 15.500 17.967 -2.467 1
1 327 . 20 1 1 A 75 75 ALA N N 75 123.100 122.604 0.496 1
1 328 . 20 1 1 A 76 76 PHE H H 76 9.450 7.851 1.599 1
1 329 . 20 1 1 A 76 76 PHE HA H 76 3.700 4.338 -0.638 1
1 334 . 20 1 1 A 76 76 PHE C C 76 174.600 177.943 -3.343 1
1 335 . 20 1 1 A 76 76 PHE CA C 76 59.600 61.106 -1.506 1
1 336 . 20 1 1 A 76 76 PHE CB C 76 35.800 38.437 -2.637 1
1 337 . 20 1 1 A 76 76 PHE N N 76 118.800 118.819 -0.019 1
1 338 . 20 1 1 A 77 77 SER H H 77 8.550 8.441 0.109 1
1 339 . 20 1 1 A 77 77 SER HA H 77 4.130 4.262 -0.132 1
1 341 . 20 1 1 A 77 77 SER C C 77 172.200 177.533 -5.333 1
1 342 . 20 1 1 A 77 77 SER CA C 77 60.100 61.930 -1.830 1
1 343 . 20 1 1 A 77 77 SER CB C 77 59.800 62.782 -2.982 1
1 344 . 20 1 1 A 77 77 SER N N 77 113.200 113.835 -0.635 1
1 345 . 20 1 1 A 78 78 CYS H H 78 7.430 8.682 -1.252 1
1 346 . 20 1 1 A 78 78 CYS HA H 78 4.080 4.008 0.072 1
1 349 . 20 1 1 A 78 78 CYS C C 78 174.000 176.076 -2.076 1
1 350 . 20 1 1 A 78 78 CYS CA C 78 57.900 60.456 -2.556 1
1 351 . 20 1 1 A 78 78 CYS CB C 78 36.400 41.094 -4.694 1
1 352 . 20 1 1 A 78 78 CYS N N 78 118.900 119.500 -0.600 1
1 353 . 20 1 1 A 79 79 PHE H H 79 8.270 8.440 -0.170 1
1 354 . 20 1 1 A 79 79 PHE HA H 79 3.740 4.148 -0.408 1
1 359 . 20 1 1 A 79 79 PHE C C 79 173.600 177.866 -4.266 1
1 360 . 20 1 1 A 79 79 PHE CA C 79 59.200 61.511 -2.311 1
1 361 . 20 1 1 A 79 79 PHE CB C 79 37.000 39.008 -2.008 1
1 362 . 20 1 1 A 79 79 PHE N N 79 120.400 121.955 -1.555 1
1 363 . 20 1 1 A 80 80 HIS H H 80 8.840 7.840 1.000 1
1 364 . 20 1 1 A 80 80 HIS HA H 80 3.460 4.127 -0.667 1
1 368 . 20 1 1 A 80 80 HIS C C 80 175.700 176.579 -0.879 1
1 369 . 20 1 1 A 80 80 HIS CA C 80 57.000 58.384 -1.384 1
1 370 . 20 1 1 A 80 80 HIS CB C 80 28.300 29.225 -0.925 1
1 371 . 20 1 1 A 80 80 HIS N N 80 118.400 115.797 2.603 1
1 372 . 20 1 1 A 81 81 TYR H H 81 7.710 8.031 -0.321 1
1 373 . 20 1 1 A 81 81 TYR HA H 81 4.080 4.366 -0.286 1
1 378 . 20 1 1 A 81 81 TYR C C 81 172.400 176.714 -4.314 1
1 379 . 20 1 1 A 81 81 TYR CA C 81 56.100 61.054 -4.954 1
1 380 . 20 1 1 A 81 81 TYR CB C 81 34.800 38.350 -3.550 1
1 381 . 20 1 1 A 81 81 TYR N N 81 113.400 118.397 -4.997 1
1 382 . 20 1 1 A 82 82 SER H H 82 7.070 7.518 -0.448 1
1 383 . 20 1 1 A 82 82 SER HA H 82 4.410 4.507 -0.097 1
1 386 . 20 1 1 A 82 82 SER C C 82 174.500 174.361 0.139 1
1 387 . 20 1 1 A 82 82 SER CA C 82 56.300 60.666 -4.366 1
1 388 . 20 1 1 A 82 82 SER CB C 82 59.200 64.591 -5.391 1
1 389 . 20 1 1 A 82 82 SER N N 82 115.600 115.795 -0.195 1
1 390 . 20 1 1 A 83 83 THR H H 83 9.290 8.042 1.248 1
1 391 . 20 1 1 A 83 83 THR HA H 83 4.400 3.833 0.567 1
1 396 . 20 1 1 A 83 83 THR C C 83 172.200 174.677 -2.477 1
1 397 . 20 1 1 A 83 83 THR CA C 83 57.500 63.439 -5.939 1
1 398 . 20 1 1 A 83 83 THR CB C 83 65.800 66.826 -1.026 1
1 400 . 20 1 1 A 83 83 THR N N 83 120.400 114.306 6.094 1
1 401 . 20 1 1 A 84 84 GLU H H 84 7.170 8.471 -1.301 1
1 402 . 20 1 1 A 84 84 GLU HA H 84 3.860 3.934 -0.074 1
1 406 . 20 1 1 A 84 84 GLU C C 84 173.300 177.655 -4.355 1
1 407 . 20 1 1 A 84 84 GLU CA C 84 53.100 58.531 -5.431 1
1 408 . 20 1 1 A 84 84 GLU CB C 84 28.400 28.735 -0.335 1
1 410 . 20 1 1 A 84 84 GLU N N 84 121.600 120.903 0.697 1
1 411 . 20 1 1 A 85 85 GLU H H 85 8.390 8.088 0.302 1
1 412 . 20 1 1 A 85 85 GLU HA H 85 3.730 4.660 -0.930 1
1 417 . 20 1 1 A 85 85 GLU C C 85 175.500 175.764 -0.264 1
1 418 . 20 1 1 A 85 85 GLU CA C 85 56.700 57.985 -1.285 1
1 419 . 20 1 1 A 85 85 GLU CB C 85 26.900 31.520 -4.620 1
1 421 . 20 1 1 A 85 85 GLU N N 85 121.800 116.813 4.987 1
1 422 . 20 1 1 A 86 86 ILE H H 86 8.060 8.137 -0.077 1
1 423 . 20 1 1 A 86 86 ILE HA H 86 4.060 4.065 -0.005 1
1 433 . 20 1 1 A 86 86 ILE C C 86 172.400 176.129 -3.729 1
1 434 . 20 1 1 A 86 86 ILE CA C 86 56.800 61.544 -4.744 1
1 435 . 20 1 1 A 86 86 ILE CB C 86 32.700 38.416 -5.716 1
1 439 . 20 1 1 A 86 86 ILE N N 86 117.800 120.847 -3.047 1
1 440 . 20 1 1 A 87 87 LYS H H 87 8.200 8.525 -0.325 1
1 441 . 20 1 1 A 87 87 LYS HA H 87 3.470 2.603 0.867 1
1 450 . 20 1 1 A 87 87 LYS C C 87 175.200 177.011 -1.811 1
1 451 . 20 1 1 A 87 87 LYS CA C 87 56.800 57.836 -1.036 1
1 452 . 20 1 1 A 87 87 LYS CB C 87 30.300 31.541 -1.241 1
1 456 . 20 1 1 A 87 87 LYS N N 87 130.300 125.524 4.776 1
1 457 . 20 1 1 A 88 88 GLY H H 88 8.820 8.490 0.330 1
1 458 . 20 1 1 A 88 88 GLY HA2 H 88 4.440 3.090 1.350 1
1 459 . 20 1 1 A 88 88 GLY HA3 H 88 3.560 4.028 -0.468 1
1 460 . 20 1 1 A 88 88 GLY C C 88 172.800 175.334 -2.534 1
1 461 . 20 1 1 A 88 88 GLY CA C 88 42.800 45.724 -2.924 1
1 462 . 20 1 1 A 88 88 GLY N N 88 110.400 113.831 -3.431 1
1 463 . 20 1 1 A 89 89 SER H H 89 8.570 7.628 0.942 1
1 464 . 20 1 1 A 89 89 SER HA H 89 4.040 4.073 -0.033 1
1 467 . 20 1 1 A 89 89 SER C C 89 171.300 176.741 -5.441 1
1 468 . 20 1 1 A 89 89 SER CA C 89 58.200 61.441 -3.241 1
1 469 . 20 1 1 A 89 89 SER CB C 89 59.200 62.486 -3.286 1
1 470 . 20 1 1 A 89 89 SER N N 89 118.000 115.872 2.128 1
1 471 . 20 1 1 A 90 90 ASP H H 90 10.480 8.520 1.960 1
1 472 . 20 1 1 A 90 90 ASP HA H 90 4.580 4.363 0.217 1
1 475 . 20 1 1 A 90 90 ASP C C 90 173.500 177.391 -3.891 1
1 476 . 20 1 1 A 90 90 ASP CA C 90 50.500 56.390 -5.890 1
1 477 . 20 1 1 A 90 90 ASP CB C 90 34.900 40.123 -5.223 1
1 478 . 20 1 1 A 90 90 ASP N N 90 116.400 120.056 -3.656 1
1 479 . 20 1 1 A 91 91 CYS H H 91 7.420 7.988 -0.568 1
1 480 . 20 1 1 A 91 91 CYS HA H 91 5.180 4.755 0.425 1
1 483 . 20 1 1 A 91 91 CYS C C 91 172.800 175.242 -2.442 1
1 484 . 20 1 1 A 91 91 CYS CA C 91 50.600 56.505 -5.905 1
1 485 . 20 1 1 A 91 91 CYS CB C 91 38.000 42.512 -4.512 1
1 486 . 20 1 1 A 91 91 CYS N N 91 117.300 116.677 0.623 1
1 487 . 20 1 1 A 92 92 VAL H H 92 7.320 7.903 -0.583 1
1 488 . 20 1 1 A 92 92 VAL HA H 92 3.470 3.987 -0.517 1
1 496 . 20 1 1 A 92 92 VAL C C 92 175.700 177.143 -1.443 1
1 497 . 20 1 1 A 92 92 VAL CA C 92 64.000 65.116 -1.116 1
1 498 . 20 1 1 A 92 92 VAL CB C 92 29.300 31.393 -2.093 1
1 501 . 20 1 1 A 92 92 VAL N N 92 120.500 121.224 -0.724 1
1 502 . 20 1 1 A 93 93 ASP H H 93 8.870 8.338 0.532 1
1 503 . 20 1 1 A 93 93 ASP HA H 93 4.280 4.301 -0.021 1
1 505 . 20 1 1 A 93 93 ASP C C 93 176.500 178.661 -2.161 1
1 506 . 20 1 1 A 93 93 ASP CA C 93 55.100 57.692 -2.592 1
1 507 . 20 1 1 A 93 93 ASP CB C 93 36.800 42.130 -5.330 1
1 508 . 20 1 1 A 93 93 ASP N N 93 120.500 121.872 -1.372 1
1 509 . 20 1 1 A 94 94 GLN H H 94 9.140 8.122 1.018 1
1 510 . 20 1 1 A 94 94 GLN HA H 94 3.920 4.125 -0.205 1
1 517 . 20 1 1 A 94 94 GLN C C 94 178.100 178.806 -0.706 1
1 518 . 20 1 1 A 94 94 GLN CA C 94 57.100 58.191 -1.091 1
1 519 . 20 1 1 A 94 94 GLN CB C 94 24.500 28.827 -4.327 1
1 521 . 20 1 1 A 94 94 GLN N N 94 121.800 117.715 4.085 1
1 523 . 20 1 1 A 95 95 PHE H H 95 8.920 8.027 0.893 1
1 524 . 20 1 1 A 95 95 PHE HA H 95 4.130 4.283 -0.153 1
1 529 . 20 1 1 A 95 95 PHE C C 95 175.100 178.148 -3.048 1
1 530 . 20 1 1 A 95 95 PHE CA C 95 57.500 60.717 -3.217 1
1 531 . 20 1 1 A 95 95 PHE CB C 95 34.500 38.690 -4.190 1
1 532 . 20 1 1 A 95 95 PHE N N 95 122.500 119.005 3.495 1
1 533 . 20 1 1 A 96 96 ARG H H 96 8.500 8.644 -0.144 1
1 534 . 20 1 1 A 96 96 ARG HA H 96 4.040 3.862 0.178 1
1 540 . 20 1 1 A 96 96 ARG C C 96 175.700 178.182 -2.482 1
1 541 . 20 1 1 A 96 96 ARG CA C 96 56.800 59.797 -2.997 1
1 542 . 20 1 1 A 96 96 ARG CB C 96 26.800 29.089 -2.289 1
1 545 . 20 1 1 A 96 96 ARG N N 96 121.600 120.841 0.759 1
1 546 . 20 1 1 A 97 97 ALA H H 97 7.960 8.198 -0.238 1
1 547 . 20 1 1 A 97 97 ALA HA H 97 4.110 4.040 0.070 1
1 551 . 20 1 1 A 97 97 ALA C C 97 178.600 179.428 -0.828 1
1 552 . 20 1 1 A 97 97 ALA CA C 97 52.100 55.264 -3.164 1
1 553 . 20 1 1 A 97 97 ALA CB C 97 15.200 18.438 -3.238 1
1 554 . 20 1 1 A 97 97 ALA N N 97 120.300 120.997 -0.697 1
1 555 . 20 1 1 A 98 98 MET H H 98 7.600 8.104 -0.504 1
1 556 . 20 1 1 A 98 98 MET HA H 98 3.830 3.965 -0.135 1
1 559 . 20 1 1 A 98 98 MET C C 98 173.900 178.145 -4.245 1
1 560 . 20 1 1 A 98 98 MET CA C 98 56.400 58.422 -2.022 1
1 561 . 20 1 1 A 98 98 MET CB C 98 30.100 31.729 -1.629 1
1 563 . 20 1 1 A 98 98 MET N N 98 118.400 118.992 -0.592 1
1 564 . 20 1 1 A 99 99 GLN H H 99 8.410 8.341 0.069 1
1 565 . 20 1 1 A 99 99 GLN HA H 99 3.800 3.996 -0.196 1
1 569 . 20 1 1 A 99 99 GLN C C 99 173.400 178.479 -5.079 1
1 570 . 20 1 1 A 99 99 GLN CA C 99 56.800 59.404 -2.604 1
1 571 . 20 1 1 A 99 99 GLN CB C 99 25.900 28.421 -2.521 1
1 573 . 20 1 1 A 99 99 GLN N N 99 120.800 119.441 1.359 1
1 574 . 20 1 1 A 100 100 GLU H H 100 8.510 8.675 -0.165 1
1 575 . 20 1 1 A 100 100 GLU HA H 100 3.820 4.093 -0.273 1
1 580 . 20 1 1 A 100 100 GLU C C 100 175.900 178.760 -2.860 1
1 581 . 20 1 1 A 100 100 GLU CA C 100 56.500 58.444 -1.944 1
1 582 . 20 1 1 A 100 100 GLU CB C 100 26.900 27.632 -0.732 1
1 584 . 20 1 1 A 100 100 GLU N N 100 117.600 116.666 0.934 1
1 585 . 20 1 1 A 101 101 CYS H H 101 7.310 7.717 -0.407 1
1 586 . 20 1 1 A 101 101 CYS HA H 101 4.230 4.129 0.101 1
1 589 . 20 1 1 A 101 101 CYS C C 101 173.800 176.311 -2.511 1
1 590 . 20 1 1 A 101 101 CYS CA C 101 57.800 58.986 -1.186 1
1 591 . 20 1 1 A 101 101 CYS CB C 101 36.500 42.009 -5.509 1
1 592 . 20 1 1 A 101 101 CYS N N 101 117.800 119.279 -1.479 1
1 593 . 20 1 1 A 102 102 MET H H 102 8.400 8.130 0.270 1
1 594 . 20 1 1 A 102 102 MET HA H 102 3.820 4.453 -0.633 1
1 599 . 20 1 1 A 102 102 MET C C 102 177.100 177.554 -0.454 1
1 600 . 20 1 1 A 102 102 MET CA C 102 57.100 57.348 -0.248 1
1 601 . 20 1 1 A 102 102 MET CB C 102 30.200 31.575 -1.375 1
1 603 . 20 1 1 A 102 102 MET N N 102 119.100 119.490 -0.390 1
1 604 . 20 1 1 A 103 103 GLN H H 103 7.850 8.433 -0.583 1
1 605 . 20 1 1 A 103 103 GLN HA H 103 3.960 4.164 -0.204 1
1 612 . 20 1 1 A 103 103 GLN C C 103 174.000 177.015 -3.015 1
1 613 . 20 1 1 A 103 103 GLN CA C 103 55.000 57.678 -2.678 1
1 614 . 20 1 1 A 103 103 GLN CB C 103 25.900 27.703 -1.803 1
1 616 . 20 1 1 A 103 103 GLN N N 103 117.200 117.272 -0.072 1
1 618 . 20 1 1 A 104 104 LYS H H 104 7.470 7.392 0.078 1
1 619 . 20 1 1 A 104 104 LYS HA H 104 3.880 4.374 -0.494 1
1 626 . 20 1 1 A 104 104 LYS C C 104 173.200 176.002 -2.802 1
1 627 . 20 1 1 A 104 104 LYS CA C 104 54.600 56.843 -2.243 1
1 628 . 20 1 1 A 104 104 LYS CB C 104 29.600 33.803 -4.203 1
1 632 . 20 1 1 A 104 104 LYS N N 104 116.700 117.477 -0.777 1
1 633 . 20 1 1 A 105 105 TYR H H 105 7.390 7.933 -0.543 1
1 634 . 20 1 1 A 105 105 TYR HA H 105 5.040 5.060 -0.020 1
1 639 . 20 1 1 A 105 105 TYR C C 105 170.800 174.944 -4.144 1
1 640 . 20 1 1 A 105 105 TYR CA C 105 52.300 55.123 -2.823 1
1 641 . 20 1 1 A 105 105 TYR CB C 105 36.700 38.681 -1.981 1
1 642 . 20 1 1 A 105 105 TYR N N 105 115.700 118.451 -2.751 1
1 643 . 20 1 1 A 106 106 PRO HA H 106 4.470 4.492 -0.022 1
1 650 . 20 1 1 A 106 106 PRO CA C 106 61.800 65.000 -3.200 1
1 651 . 20 1 1 A 106 106 PRO CB C 106 29.000 31.917 -2.917 1
1 654 . 20 1 1 A 107 107 ASP H H 107 8.750 7.787 0.963 1
1 655 . 20 1 1 A 107 107 ASP HA H 107 4.310 3.854 0.456 1
1 658 . 20 1 1 A 107 107 ASP C C 107 174.000 175.292 -1.292 1
1 659 . 20 1 1 A 107 107 ASP CA C 107 52.200 52.724 -0.524 1
1 660 . 20 1 1 A 107 107 ASP CB C 107 36.800 41.488 -4.688 1
1 661 . 20 1 1 A 107 107 ASP N N 107 114.800 115.813 -1.013 1
1 662 . 20 1 1 A 108 108 LEU H H 108 7.270 7.756 -0.486 1
1 663 . 20 1 1 A 108 108 LEU HA H 108 4.030 3.913 0.117 1
1 673 . 20 1 1 A 108 108 LEU C C 108 173.800 177.306 -3.506 1
1 674 . 20 1 1 A 108 108 LEU CA C 108 52.500 56.893 -4.393 1
1 675 . 20 1 1 A 108 108 LEU CB C 108 40.000 41.594 -1.594 1
1 679 . 20 1 1 A 108 108 LEU N N 108 118.900 119.867 -0.967 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 57 2.974 1
2 1 1 1 "RMS(OBS, PRED)" CA 63 3.417 1
3 1 1 1 "RMS(OBS, PRED)" CB 57 3.379 1
4 1 1 1 "RMS(OBS, PRED)" H 57 0.708 1
5 1 1 1 "RMS(OBS, PRED)" HA 69 0.373 1
6 1 1 1 "RMS(OBS, PRED)" N 57 2.571 1
7 1 2 1 "RMS(OBS, PRED)" C 57 3.028 1
8 1 2 1 "RMS(OBS, PRED)" CA 63 3.499 1
9 1 2 1 "RMS(OBS, PRED)" CB 57 3.328 1
10 1 2 1 "RMS(OBS, PRED)" H 57 0.735 1
11 1 2 1 "RMS(OBS, PRED)" HA 69 0.382 1
12 1 2 1 "RMS(OBS, PRED)" N 57 2.395 1
13 1 3 1 "RMS(OBS, PRED)" C 57 3.046 1
14 1 3 1 "RMS(OBS, PRED)" CA 63 3.347 1
15 1 3 1 "RMS(OBS, PRED)" CB 57 3.460 1
16 1 3 1 "RMS(OBS, PRED)" H 57 0.653 1
17 1 3 1 "RMS(OBS, PRED)" HA 69 0.329 1
18 1 3 1 "RMS(OBS, PRED)" N 57 2.531 1
19 1 4 1 "RMS(OBS, PRED)" C 57 3.027 1
20 1 4 1 "RMS(OBS, PRED)" CA 63 3.434 1
21 1 4 1 "RMS(OBS, PRED)" CB 57 3.478 1
22 1 4 1 "RMS(OBS, PRED)" H 57 0.704 1
23 1 4 1 "RMS(OBS, PRED)" HA 69 0.395 1
24 1 4 1 "RMS(OBS, PRED)" N 57 2.525 1
25 1 5 1 "RMS(OBS, PRED)" C 57 2.978 1
26 1 5 1 "RMS(OBS, PRED)" CA 63 3.269 1
27 1 5 1 "RMS(OBS, PRED)" CB 57 3.586 1
28 1 5 1 "RMS(OBS, PRED)" H 57 0.734 1
29 1 5 1 "RMS(OBS, PRED)" HA 69 0.375 1
30 1 5 1 "RMS(OBS, PRED)" N 57 2.523 1
31 1 6 1 "RMS(OBS, PRED)" C 57 2.982 1
32 1 6 1 "RMS(OBS, PRED)" CA 63 3.373 1
33 1 6 1 "RMS(OBS, PRED)" CB 57 3.488 1
34 1 6 1 "RMS(OBS, PRED)" H 57 0.678 1
35 1 6 1 "RMS(OBS, PRED)" HA 69 0.394 1
36 1 6 1 "RMS(OBS, PRED)" N 57 2.425 1
37 1 7 1 "RMS(OBS, PRED)" C 57 3.038 1
38 1 7 1 "RMS(OBS, PRED)" CA 63 3.338 1
39 1 7 1 "RMS(OBS, PRED)" CB 57 3.489 1
40 1 7 1 "RMS(OBS, PRED)" H 57 0.727 1
41 1 7 1 "RMS(OBS, PRED)" HA 69 0.357 1
42 1 7 1 "RMS(OBS, PRED)" N 57 2.265 1
43 1 8 1 "RMS(OBS, PRED)" C 57 3.010 1
44 1 8 1 "RMS(OBS, PRED)" CA 63 3.281 1
45 1 8 1 "RMS(OBS, PRED)" CB 57 3.483 1
46 1 8 1 "RMS(OBS, PRED)" H 57 0.701 1
47 1 8 1 "RMS(OBS, PRED)" HA 69 0.333 1
48 1 8 1 "RMS(OBS, PRED)" N 57 2.433 1
49 1 9 1 "RMS(OBS, PRED)" C 57 2.927 1
50 1 9 1 "RMS(OBS, PRED)" CA 63 3.303 1
51 1 9 1 "RMS(OBS, PRED)" CB 57 3.500 1
52 1 9 1 "RMS(OBS, PRED)" H 57 0.697 1
53 1 9 1 "RMS(OBS, PRED)" HA 69 0.379 1
54 1 9 1 "RMS(OBS, PRED)" N 57 2.567 1
55 1 10 1 "RMS(OBS, PRED)" C 57 3.050 1
56 1 10 1 "RMS(OBS, PRED)" CA 63 3.332 1
57 1 10 1 "RMS(OBS, PRED)" CB 57 3.667 1
58 1 10 1 "RMS(OBS, PRED)" H 57 0.700 1
59 1 10 1 "RMS(OBS, PRED)" HA 69 0.360 1
60 1 10 1 "RMS(OBS, PRED)" N 57 2.351 1
61 1 11 1 "RMS(OBS, PRED)" C 57 2.995 1
62 1 11 1 "RMS(OBS, PRED)" CA 63 3.169 1
63 1 11 1 "RMS(OBS, PRED)" CB 57 3.744 1
64 1 11 1 "RMS(OBS, PRED)" H 57 0.719 1
65 1 11 1 "RMS(OBS, PRED)" HA 69 0.390 1
66 1 11 1 "RMS(OBS, PRED)" N 57 2.427 1
67 1 12 1 "RMS(OBS, PRED)" C 57 2.937 1
68 1 12 1 "RMS(OBS, PRED)" CA 63 3.286 1
69 1 12 1 "RMS(OBS, PRED)" CB 57 3.500 1
70 1 12 1 "RMS(OBS, PRED)" H 57 0.716 1
71 1 12 1 "RMS(OBS, PRED)" HA 69 0.382 1
72 1 12 1 "RMS(OBS, PRED)" N 57 2.582 1
73 1 13 1 "RMS(OBS, PRED)" C 57 2.958 1
74 1 13 1 "RMS(OBS, PRED)" CA 63 3.253 1
75 1 13 1 "RMS(OBS, PRED)" CB 57 3.538 1
76 1 13 1 "RMS(OBS, PRED)" H 57 0.710 1
77 1 13 1 "RMS(OBS, PRED)" HA 69 0.355 1
78 1 13 1 "RMS(OBS, PRED)" N 57 2.436 1
79 1 14 1 "RMS(OBS, PRED)" C 57 3.041 1
80 1 14 1 "RMS(OBS, PRED)" CA 63 3.355 1
81 1 14 1 "RMS(OBS, PRED)" CB 57 3.416 1
82 1 14 1 "RMS(OBS, PRED)" H 57 0.714 1
83 1 14 1 "RMS(OBS, PRED)" HA 69 0.373 1
84 1 14 1 "RMS(OBS, PRED)" N 57 2.353 1
85 1 15 1 "RMS(OBS, PRED)" C 57 3.060 1
86 1 15 1 "RMS(OBS, PRED)" CA 63 3.425 1
87 1 15 1 "RMS(OBS, PRED)" CB 57 3.434 1
88 1 15 1 "RMS(OBS, PRED)" H 57 0.718 1
89 1 15 1 "RMS(OBS, PRED)" HA 69 0.352 1
90 1 15 1 "RMS(OBS, PRED)" N 57 2.709 1
91 1 16 1 "RMS(OBS, PRED)" C 57 2.984 1
92 1 16 1 "RMS(OBS, PRED)" CA 63 3.357 1
93 1 16 1 "RMS(OBS, PRED)" CB 57 3.424 1
94 1 16 1 "RMS(OBS, PRED)" H 57 0.682 1
95 1 16 1 "RMS(OBS, PRED)" HA 69 0.364 1
96 1 16 1 "RMS(OBS, PRED)" N 57 2.570 1
97 1 17 1 "RMS(OBS, PRED)" C 57 3.046 1
98 1 17 1 "RMS(OBS, PRED)" CA 63 3.352 1
99 1 17 1 "RMS(OBS, PRED)" CB 57 3.471 1
100 1 17 1 "RMS(OBS, PRED)" H 57 0.743 1
101 1 17 1 "RMS(OBS, PRED)" HA 69 0.334 1
102 1 17 1 "RMS(OBS, PRED)" N 57 2.674 1
103 1 18 1 "RMS(OBS, PRED)" C 57 3.022 1
104 1 18 1 "RMS(OBS, PRED)" CA 63 3.375 1
105 1 18 1 "RMS(OBS, PRED)" CB 57 3.571 1
106 1 18 1 "RMS(OBS, PRED)" H 57 0.680 1
107 1 18 1 "RMS(OBS, PRED)" HA 69 0.316 1
108 1 18 1 "RMS(OBS, PRED)" N 57 2.410 1
109 1 19 1 "RMS(OBS, PRED)" C 57 2.972 1
110 1 19 1 "RMS(OBS, PRED)" CA 63 3.456 1
111 1 19 1 "RMS(OBS, PRED)" CB 57 3.287 1
112 1 19 1 "RMS(OBS, PRED)" H 57 0.738 1
113 1 19 1 "RMS(OBS, PRED)" HA 69 0.384 1
114 1 19 1 "RMS(OBS, PRED)" N 57 2.515 1
115 1 20 1 "RMS(OBS, PRED)" C 57 3.102 1
116 1 20 1 "RMS(OBS, PRED)" CA 63 3.465 1
117 1 20 1 "RMS(OBS, PRED)" CB 57 3.365 1
118 1 20 1 "RMS(OBS, PRED)" H 57 0.690 1
119 1 20 1 "RMS(OBS, PRED)" HA 69 0.332 1
120 1 20 1 "RMS(OBS, PRED)" N 57 2.504 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 7 . 1 1 A 46 46 LEU HA H 46 3.970 4.287 -0.317 2
1 17 . 1 1 A 46 46 LEU CA C 46 55.000 55.910 -0.910 2
1 18 . 1 1 A 46 46 LEU CB C 46 40.300 41.942 -1.642 2
1 22 . 1 1 A 47 47 ILE H H 47 7.570 7.669 -0.099 2
1 23 . 1 1 A 47 47 ILE HA H 47 4.270 4.239 0.030 2
1 33 . 1 1 A 47 47 ILE C C 47 174.500 175.322 -0.822 2
1 34 . 1 1 A 47 47 ILE CA C 47 54.600 60.175 -5.575 2
1 35 . 1 1 A 47 47 ILE CB C 47 34.500 39.298 -4.798 2
1 39 . 1 1 A 47 47 ILE N N 47 115.000 121.146 -6.146 2
1 40 . 1 1 A 48 48 LEU H H 48 8.760 8.874 -0.114 2
1 41 . 1 1 A 48 48 LEU HA H 48 4.260 4.443 -0.183 2
1 51 . 1 1 A 48 48 LEU C C 48 174.400 176.836 -2.436 2
1 52 . 1 1 A 48 48 LEU CA C 48 51.200 53.097 -1.897 2
1 53 . 1 1 A 48 48 LEU CB C 48 37.800 41.447 -3.647 2
1 57 . 1 1 A 48 48 LEU N N 48 127.400 127.264 0.136 2
1 58 . 1 1 A 49 49 PRO HA H 49 4.170 4.451 -0.281 2
1 63 . 1 1 A 49 49 PRO CA C 49 62.500 64.415 -1.915 2
1 64 . 1 1 A 49 49 PRO CB C 49 28.900 31.587 -2.687 2
1 67 . 1 1 A 50 50 ASN H H 50 7.180 7.827 -0.647 2
1 68 . 1 1 A 50 50 ASN HA H 50 4.420 4.671 -0.251 2
1 73 . 1 1 A 50 50 ASN C C 50 173.700 176.224 -2.524 2
1 74 . 1 1 A 50 50 ASN CA C 50 49.500 52.316 -2.816 2
1 75 . 1 1 A 50 50 ASN CB C 50 34.400 38.199 -3.799 2
1 76 . 1 1 A 50 50 ASN N N 50 111.000 113.502 -2.502 2
1 78 . 1 1 A 51 51 GLY H H 51 8.370 8.187 0.183 2
1 79 . 1 1 A 51 51 GLY HA2 H 51 4.220 3.899 0.321 2
1 80 . 1 1 A 51 51 GLY HA3 H 51 3.400 3.938 -0.538 2
1 81 . 1 1 A 51 51 GLY C C 51 171.500 174.100 -2.600 2
1 82 . 1 1 A 51 51 GLY CA C 51 42.200 45.108 -2.908 2
1 83 . 1 1 A 51 51 GLY N N 51 108.400 109.113 -0.713 2
1 84 . 1 1 A 52 52 ASN H H 52 7.810 7.996 -0.186 2
1 85 . 1 1 A 52 52 ASN HA H 52 4.670 5.006 -0.336 2
1 90 . 1 1 A 52 52 ASN C C 52 170.900 174.873 -3.973 2
1 91 . 1 1 A 52 52 ASN CA C 52 49.400 52.820 -3.420 2
1 92 . 1 1 A 52 52 ASN CB C 52 36.100 40.167 -4.067 2
1 93 . 1 1 A 52 52 ASN N N 52 119.100 119.648 -0.549 2
1 95 . 1 1 A 53 53 ILE H H 53 8.070 8.318 -0.248 2
1 96 . 1 1 A 53 53 ILE HA H 53 3.470 4.044 -0.574 2
1 106 . 1 1 A 53 53 ILE C C 53 172.300 174.889 -2.589 2
1 107 . 1 1 A 53 53 ILE CA C 53 59.100 60.076 -0.976 2
1 108 . 1 1 A 53 53 ILE CB C 53 36.000 38.261 -2.261 2
1 112 . 1 1 A 53 53 ILE N N 53 120.100 122.983 -2.883 2
1 113 . 1 1 A 54 54 ASN H H 54 8.700 8.443 0.257 2
1 114 . 1 1 A 54 54 ASN HA H 54 4.350 4.590 -0.240 2
1 119 . 1 1 A 54 54 ASN C C 54 172.300 175.484 -3.184 2
1 120 . 1 1 A 54 54 ASN CA C 54 47.500 52.012 -4.512 2
1 121 . 1 1 A 54 54 ASN CB C 54 34.200 37.450 -3.250 2
1 122 . 1 1 A 54 54 ASN N N 54 123.200 123.786 -0.586 2
1 124 . 1 1 A 55 55 TRP H H 55 7.520 7.745 -0.225 2
1 125 . 1 1 A 55 55 TRP HA H 55 4.300 4.615 -0.315 2
1 134 . 1 1 A 55 55 TRP C C 55 172.100 177.290 -5.190 2
1 135 . 1 1 A 55 55 TRP CA C 55 55.200 58.452 -3.252 2
1 136 . 1 1 A 55 55 TRP CB C 55 26.400 28.587 -2.187 2
1 137 . 1 1 A 55 55 TRP N N 55 124.600 124.914 -0.314 2
1 138 . 1 1 A 56 56 ASN H H 56 7.380 8.146 -0.766 2
1 139 . 1 1 A 56 56 ASN HA H 56 4.720 4.890 -0.170 2
1 144 . 1 1 A 56 56 ASN C C 56 172.100 175.322 -3.222 2
1 145 . 1 1 A 56 56 ASN CA C 56 49.500 53.435 -3.935 2
1 146 . 1 1 A 56 56 ASN CB C 56 36.200 39.437 -3.237 2
1 147 . 1 1 A 56 56 ASN N N 56 112.500 116.844 -4.344 2
1 149 . 1 1 A 57 57 CYS H H 57 7.460 7.470 -0.010 2
1 150 . 1 1 A 57 57 CYS HA H 57 4.280 4.468 -0.188 2
1 153 . 1 1 A 57 57 CYS C C 57 173.000 174.526 -1.526 2
1 154 . 1 1 A 57 57 CYS CA C 57 54.900 58.624 -3.724 2
1 155 . 1 1 A 57 57 CYS CB C 57 25.000 27.288 -2.288 2
1 156 . 1 1 A 57 57 CYS N N 57 123.000 119.297 3.703 2
1 157 . 1 1 A 58 58 PRO HA H 58 4.200 4.409 -0.208 2
1 162 . 1 1 A 58 58 PRO CA C 58 62.700 64.777 -2.077 2
1 163 . 1 1 A 58 58 PRO CB C 58 29.300 31.316 -2.016 2
1 166 . 1 1 A 59 59 CYS HA H 59 4.390 4.324 0.066 2
1 168 . 1 1 A 59 59 CYS CA C 59 57.000 61.686 -4.686 2
1 169 . 1 1 A 59 59 CYS CB C 59 24.400 27.955 -3.555 2
1 170 . 1 1 A 60 60 LEU H H 60 7.500 8.175 -0.675 2
1 171 . 1 1 A 60 60 LEU HA H 60 4.180 4.072 0.108 2
1 181 . 1 1 A 60 60 LEU C C 60 175.700 178.897 -3.197 2
1 182 . 1 1 A 60 60 LEU CA C 60 52.000 57.944 -5.944 2
1 183 . 1 1 A 60 60 LEU CB C 60 39.000 41.885 -2.885 2
1 187 . 1 1 A 60 60 LEU N N 60 117.700 122.160 -4.460 2
1 188 . 1 1 A 61 61 GLY H H 61 7.880 8.371 -0.491 2
1 189 . 1 1 A 61 61 GLY HA2 H 61 3.830 3.822 0.008 2
1 190 . 1 1 A 61 61 GLY HA3 H 61 3.680 3.924 -0.244 2
1 191 . 1 1 A 61 61 GLY C C 61 172.700 176.187 -3.487 2
1 192 . 1 1 A 61 61 GLY CA C 61 44.700 47.276 -2.576 2
1 193 . 1 1 A 61 61 GLY N N 61 105.700 106.668 -0.969 2
1 194 . 1 1 A 62 62 GLY H H 62 8.580 8.286 0.294 2
1 195 . 1 1 A 62 62 GLY HA2 H 62 3.810 3.775 0.035 2
1 196 . 1 1 A 62 62 GLY HA3 H 62 3.680 3.780 -0.100 2
1 197 . 1 1 A 62 62 GLY C C 62 174.000 175.946 -1.946 2
1 198 . 1 1 A 62 62 GLY CA C 62 42.800 47.026 -4.226 2
1 199 . 1 1 A 62 62 GLY N N 62 108.500 109.864 -1.364 2
1 200 . 1 1 A 63 63 MET H H 63 7.460 7.973 -0.513 2
1 201 . 1 1 A 63 63 MET HA H 63 3.870 3.914 -0.044 2
1 206 . 1 1 A 63 63 MET C C 63 174.600 177.083 -2.483 2
1 207 . 1 1 A 63 63 MET CA C 63 54.400 57.586 -3.186 2
1 208 . 1 1 A 63 63 MET CB C 63 27.600 31.374 -3.774 2
1 210 . 1 1 A 63 63 MET N N 63 118.500 119.996 -1.496 2
1 211 . 1 1 A 64 64 ALA H H 64 8.080 7.355 0.725 2
1 212 . 1 1 A 64 64 ALA HA H 64 4.220 4.300 -0.080 2
1 216 . 1 1 A 64 64 ALA C C 64 173.800 176.815 -3.015 2
1 217 . 1 1 A 64 64 ALA CA C 64 50.400 52.003 -1.603 2
1 218 . 1 1 A 64 64 ALA CB C 64 16.500 19.176 -2.676 2
1 219 . 1 1 A 64 64 ALA N N 64 117.500 120.375 -2.875 2
1 220 . 1 1 A 65 65 SER H H 65 7.460 7.615 -0.155 2
1 221 . 1 1 A 65 65 SER HA H 65 4.570 4.563 0.007 2
1 224 . 1 1 A 65 65 SER C C 65 171.500 174.275 -2.775 2
1 225 . 1 1 A 65 65 SER CA C 65 54.800 57.388 -2.588 2
1 226 . 1 1 A 65 65 SER CB C 65 61.800 65.017 -3.218 2
1 227 . 1 1 A 65 65 SER N N 65 111.200 114.412 -3.212 2
1 228 . 1 1 A 66 66 GLY H H 66 7.480 8.492 -1.012 2
1 229 . 1 1 A 66 66 GLY HA2 H 66 3.980 3.908 0.072 2
1 230 . 1 1 A 66 66 GLY HA3 H 66 4.030 4.038 -0.008 2
1 231 . 1 1 A 66 66 GLY C C 66 170.600 174.123 -3.523 2
1 232 . 1 1 A 66 66 GLY CA C 66 42.000 44.526 -2.526 2
1 233 . 1 1 A 66 66 GLY N N 66 108.800 111.017 -2.217 2
1 234 . 1 1 A 67 67 PRO HA H 67 4.210 4.275 -0.065 2
1 241 . 1 1 A 67 67 PRO CA C 67 62.000 65.132 -3.132 2
1 242 . 1 1 A 67 67 PRO CB C 67 28.900 31.340 -2.440 2
1 245 . 1 1 A 68 68 CYS H H 68 7.700 7.951 -0.251 2
1 246 . 1 1 A 68 68 CYS HA H 68 5.450 4.459 0.991 2
1 249 . 1 1 A 68 68 CYS C C 68 173.500 175.979 -2.479 2
1 250 . 1 1 A 68 68 CYS CA C 68 49.500 58.417 -8.917 2
1 251 . 1 1 A 68 68 CYS CB C 68 36.200 41.969 -5.769 2
1 252 . 1 1 A 68 68 CYS N N 68 115.300 114.670 0.630 2
1 253 . 1 1 A 69 69 GLY H H 69 7.840 8.250 -0.410 2
1 254 . 1 1 A 69 69 GLY HA2 H 69 3.950 3.727 0.223 2
1 255 . 1 1 A 69 69 GLY HA3 H 69 3.550 3.770 -0.220 2
1 256 . 1 1 A 69 69 GLY C C 69 173.300 175.960 -2.660 2
1 257 . 1 1 A 69 69 GLY CA C 69 45.200 47.132 -1.932 2
1 258 . 1 1 A 69 69 GLY N N 69 110.200 109.560 0.640 2
1 259 . 1 1 A 70 70 GLU H H 70 8.650 8.537 0.113 2
1 260 . 1 1 A 70 70 GLU HA H 70 3.760 3.930 -0.170 2
1 265 . 1 1 A 70 70 GLU C C 70 176.800 178.680 -1.880 2
1 266 . 1 1 A 70 70 GLU CA C 70 56.300 59.056 -2.757 2
1 267 . 1 1 A 70 70 GLU CB C 70 26.000 28.851 -2.851 2
1 269 . 1 1 A 70 70 GLU N N 70 120.000 120.793 -0.793 2
1 270 . 1 1 A 71 71 GLN H H 71 8.860 7.730 1.130 2
1 271 . 1 1 A 71 71 GLN HA H 71 3.850 4.040 -0.190 2
1 278 . 1 1 A 71 71 GLN C C 71 177.400 178.338 -0.938 2
1 279 . 1 1 A 71 71 GLN CA C 71 57.200 58.547 -1.347 2
1 280 . 1 1 A 71 71 GLN CB C 71 24.400 28.658 -4.258 2
1 282 . 1 1 A 71 71 GLN N N 71 120.800 119.089 1.711 2
1 284 . 1 1 A 72 72 PHE H H 72 8.890 7.823 1.067 2
1 285 . 1 1 A 72 72 PHE HA H 72 4.200 4.032 0.168 2
1 291 . 1 1 A 72 72 PHE C C 72 173.500 177.585 -4.085 2
1 292 . 1 1 A 72 72 PHE CA C 72 59.000 61.262 -2.262 2
1 293 . 1 1 A 72 72 PHE CB C 72 36.000 39.166 -3.166 2
1 294 . 1 1 A 72 72 PHE N N 72 123.400 121.266 2.134 2
1 295 . 1 1 A 73 73 LYS H H 73 8.480 8.147 0.333 2
1 296 . 1 1 A 73 73 LYS HA H 73 3.430 3.444 -0.014 2
1 304 . 1 1 A 73 73 LYS C C 73 177.600 178.876 -1.276 2
1 305 . 1 1 A 73 73 LYS CA C 73 56.700 59.365 -2.665 2
1 306 . 1 1 A 73 73 LYS CB C 73 29.600 31.911 -2.311 2
1 310 . 1 1 A 73 73 LYS N N 73 119.900 118.265 1.635 2
1 311 . 1 1 A 74 74 SER H H 74 7.780 7.830 -0.050 2
1 312 . 1 1 A 74 74 SER HA H 74 4.120 4.166 -0.046 2
1 315 . 1 1 A 74 74 SER C C 74 174.300 177.220 -2.920 2
1 316 . 1 1 A 74 74 SER CA C 74 58.700 61.489 -2.789 2
1 317 . 1 1 A 74 74 SER CB C 74 59.900 62.790 -2.890 2
1 318 . 1 1 A 74 74 SER N N 74 114.200 114.395 -0.195 2
1 319 . 1 1 A 75 75 ALA H H 75 7.870 8.074 -0.204 2
1 320 . 1 1 A 75 75 ALA HA H 75 3.840 3.875 -0.035 2
1 324 . 1 1 A 75 75 ALA C C 75 175.100 179.854 -4.754 2
1 325 . 1 1 A 75 75 ALA CA C 75 53.200 54.735 -1.535 2
1 326 . 1 1 A 75 75 ALA CB C 75 15.500 17.962 -2.462 2
1 327 . 1 1 A 75 75 ALA N N 75 123.100 122.659 0.441 2
1 328 . 1 1 A 76 76 PHE H H 76 9.450 7.877 1.573 2
1 329 . 1 1 A 76 76 PHE HA H 76 3.700 4.364 -0.664 2
1 334 . 1 1 A 76 76 PHE C C 76 174.600 178.077 -3.477 2
1 335 . 1 1 A 76 76 PHE CA C 76 59.600 61.351 -1.751 2
1 336 . 1 1 A 76 76 PHE CB C 76 35.800 38.594 -2.794 2
1 337 . 1 1 A 76 76 PHE N N 76 118.800 117.996 0.804 2
1 338 . 1 1 A 77 77 SER H H 77 8.550 8.501 0.049 2
1 339 . 1 1 A 77 77 SER HA H 77 4.130 4.161 -0.031 2
1 341 . 1 1 A 77 77 SER C C 77 172.200 177.019 -4.819 2
1 342 . 1 1 A 77 77 SER CA C 77 60.100 61.796 -1.696 2
1 343 . 1 1 A 77 77 SER CB C 77 59.800 62.528 -2.728 2
1 344 . 1 1 A 77 77 SER N N 77 113.200 113.901 -0.701 2
1 345 . 1 1 A 78 78 CYS H H 78 7.430 8.448 -1.018 2
1 346 . 1 1 A 78 78 CYS HA H 78 4.080 4.087 -0.007 2
1 349 . 1 1 A 78 78 CYS C C 78 174.000 176.110 -2.110 2
1 350 . 1 1 A 78 78 CYS CA C 78 57.900 60.409 -2.509 2
1 351 . 1 1 A 78 78 CYS CB C 78 36.400 40.817 -4.417 2
1 352 . 1 1 A 78 78 CYS N N 78 118.900 119.549 -0.649 2
1 353 . 1 1 A 79 79 PHE H H 79 8.270 8.377 -0.107 2
1 354 . 1 1 A 79 79 PHE HA H 79 3.740 4.235 -0.495 2
1 359 . 1 1 A 79 79 PHE C C 79 173.600 177.495 -3.895 2
1 360 . 1 1 A 79 79 PHE CA C 79 59.200 61.670 -2.470 2
1 361 . 1 1 A 79 79 PHE CB C 79 37.000 39.126 -2.126 2
1 362 . 1 1 A 79 79 PHE N N 79 120.400 121.948 -1.548 2
1 363 . 1 1 A 80 80 HIS H H 80 8.840 8.237 0.603 2
1 364 . 1 1 A 80 80 HIS HA H 80 3.460 3.946 -0.486 2
1 368 . 1 1 A 80 80 HIS C C 80 175.700 176.686 -0.986 2
1 369 . 1 1 A 80 80 HIS CA C 80 57.000 59.234 -2.234 2
1 370 . 1 1 A 80 80 HIS CB C 80 28.300 29.830 -1.530 2
1 371 . 1 1 A 80 80 HIS N N 80 118.400 117.817 0.583 2
1 372 . 1 1 A 81 81 TYR H H 81 7.710 8.313 -0.603 2
1 373 . 1 1 A 81 81 TYR HA H 81 4.080 4.137 -0.057 2
1 378 . 1 1 A 81 81 TYR C C 81 172.400 177.513 -5.113 2
1 379 . 1 1 A 81 81 TYR CA C 81 56.100 61.237 -5.137 2
1 380 . 1 1 A 81 81 TYR CB C 81 34.800 37.973 -3.173 2
1 381 . 1 1 A 81 81 TYR N N 81 113.400 116.852 -3.452 2
1 382 . 1 1 A 82 82 SER H H 82 7.070 7.848 -0.778 2
1 383 . 1 1 A 82 82 SER HA H 82 4.410 4.375 0.035 2
1 386 . 1 1 A 82 82 SER C C 82 174.500 174.367 0.133 2
1 387 . 1 1 A 82 82 SER CA C 82 56.300 60.595 -4.295 2
1 388 . 1 1 A 82 82 SER CB C 82 59.200 63.609 -4.409 2
1 389 . 1 1 A 82 82 SER N N 82 115.600 115.891 -0.291 2
1 390 . 1 1 A 83 83 THR H H 83 9.290 7.828 1.462 2
1 391 . 1 1 A 83 83 THR HA H 83 4.400 3.838 0.562 2
1 396 . 1 1 A 83 83 THR C C 83 172.200 174.058 -1.858 2
1 397 . 1 1 A 83 83 THR CA C 83 57.500 63.222 -5.722 2
1 398 . 1 1 A 83 83 THR CB C 83 65.800 66.611 -0.811 2
1 400 . 1 1 A 83 83 THR N N 83 120.400 114.437 5.963 2
1 401 . 1 1 A 84 84 GLU H H 84 7.170 8.058 -0.888 2
1 402 . 1 1 A 84 84 GLU HA H 84 3.860 4.337 -0.477 2
1 406 . 1 1 A 84 84 GLU C C 84 173.300 176.755 -3.455 2
1 407 . 1 1 A 84 84 GLU CA C 84 53.100 57.717 -4.616 2
1 408 . 1 1 A 84 84 GLU CB C 84 28.400 30.234 -1.834 2
1 410 . 1 1 A 84 84 GLU N N 84 121.600 121.817 -0.217 2
1 411 . 1 1 A 85 85 GLU H H 85 8.390 8.103 0.287 2
1 412 . 1 1 A 85 85 GLU HA H 85 3.730 4.572 -0.842 2
1 417 . 1 1 A 85 85 GLU C C 85 175.500 175.913 -0.413 2
1 418 . 1 1 A 85 85 GLU CA C 85 56.700 57.727 -1.027 2
1 419 . 1 1 A 85 85 GLU CB C 85 26.900 31.457 -4.557 2
1 421 . 1 1 A 85 85 GLU N N 85 121.800 117.086 4.714 2
1 422 . 1 1 A 86 86 ILE H H 86 8.060 8.126 -0.066 2
1 423 . 1 1 A 86 86 ILE HA H 86 4.060 4.146 -0.086 2
1 433 . 1 1 A 86 86 ILE C C 86 172.400 175.785 -3.385 2
1 434 . 1 1 A 86 86 ILE CA C 86 56.800 61.014 -4.214 2
1 435 . 1 1 A 86 86 ILE CB C 86 32.700 38.678 -5.978 2
1 439 . 1 1 A 86 86 ILE N N 86 117.800 120.489 -2.689 2
1 440 . 1 1 A 87 87 LYS H H 87 8.200 8.432 -0.232 2
1 441 . 1 1 A 87 87 LYS HA H 87 3.470 2.239 1.231 2
1 450 . 1 1 A 87 87 LYS C C 87 175.200 176.730 -1.530 2
1 451 . 1 1 A 87 87 LYS CA C 87 56.800 57.630 -0.830 2
1 452 . 1 1 A 87 87 LYS CB C 87 30.300 31.468 -1.168 2
1 456 . 1 1 A 87 87 LYS N N 87 130.300 125.921 4.379 2
1 457 . 1 1 A 88 88 GLY H H 88 8.820 8.363 0.457 2
1 458 . 1 1 A 88 88 GLY HA2 H 88 4.440 3.021 1.419 2
1 459 . 1 1 A 88 88 GLY HA3 H 88 3.560 3.855 -0.295 2
1 460 . 1 1 A 88 88 GLY C C 88 172.800 175.201 -2.401 2
1 461 . 1 1 A 88 88 GLY CA C 88 42.800 45.302 -2.502 2
1 462 . 1 1 A 88 88 GLY N N 88 110.400 113.566 -3.166 2
1 463 . 1 1 A 89 89 SER H H 89 8.570 8.082 0.488 2
1 464 . 1 1 A 89 89 SER HA H 89 4.040 4.114 -0.074 2
1 467 . 1 1 A 89 89 SER C C 89 171.300 175.276 -3.976 2
1 468 . 1 1 A 89 89 SER CA C 89 58.200 61.471 -3.271 2
1 469 . 1 1 A 89 89 SER CB C 89 59.200 62.913 -3.713 2
1 470 . 1 1 A 89 89 SER N N 89 118.000 116.012 1.988 2
1 471 . 1 1 A 90 90 ASP H H 90 10.480 8.229 2.251 2
1 472 . 1 1 A 90 90 ASP HA H 90 4.580 4.626 -0.046 2
1 475 . 1 1 A 90 90 ASP C C 90 173.500 177.085 -3.585 2
1 476 . 1 1 A 90 90 ASP CA C 90 50.500 54.319 -3.819 2
1 477 . 1 1 A 90 90 ASP CB C 90 34.900 41.025 -6.125 2
1 478 . 1 1 A 90 90 ASP N N 90 116.400 118.921 -2.521 2
1 479 . 1 1 A 91 91 CYS H H 91 7.420 7.940 -0.520 2
1 480 . 1 1 A 91 91 CYS HA H 91 5.180 4.947 0.233 2
1 483 . 1 1 A 91 91 CYS C C 91 172.800 174.496 -1.696 2
1 484 . 1 1 A 91 91 CYS CA C 91 50.600 56.051 -5.451 2
1 485 . 1 1 A 91 91 CYS CB C 91 38.000 43.495 -5.495 2
1 486 . 1 1 A 91 91 CYS N N 91 117.300 117.376 -0.076 2
1 487 . 1 1 A 92 92 VAL H H 92 7.320 7.569 -0.249 2
1 488 . 1 1 A 92 92 VAL HA H 92 3.470 3.719 -0.249 2
1 496 . 1 1 A 92 92 VAL C C 92 175.700 177.452 -1.752 2
1 497 . 1 1 A 92 92 VAL CA C 92 64.000 65.766 -1.766 2
1 498 . 1 1 A 92 92 VAL CB C 92 29.300 31.540 -2.240 2
1 501 . 1 1 A 92 92 VAL N N 92 120.500 122.118 -1.618 2
1 502 . 1 1 A 93 93 ASP H H 93 8.870 8.322 0.548 2
1 503 . 1 1 A 93 93 ASP HA H 93 4.280 4.351 -0.071 2
1 505 . 1 1 A 93 93 ASP C C 93 176.500 178.564 -2.064 2
1 506 . 1 1 A 93 93 ASP CA C 93 55.100 57.497 -2.397 2
1 507 . 1 1 A 93 93 ASP CB C 93 36.800 41.308 -4.508 2
1 508 . 1 1 A 93 93 ASP N N 93 120.500 120.994 -0.494 2
1 509 . 1 1 A 94 94 GLN H H 94 9.140 7.984 1.157 2
1 510 . 1 1 A 94 94 GLN HA H 94 3.920 4.120 -0.200 2
1 517 . 1 1 A 94 94 GLN C C 94 178.100 178.902 -0.802 2
1 518 . 1 1 A 94 94 GLN CA C 94 57.100 58.614 -1.514 2
1 519 . 1 1 A 94 94 GLN CB C 94 24.500 28.540 -4.040 2
1 521 . 1 1 A 94 94 GLN N N 94 121.800 118.181 3.619 2
1 523 . 1 1 A 95 95 PHE H H 95 8.920 8.044 0.876 2
1 524 . 1 1 A 95 95 PHE HA H 95 4.130 4.264 -0.134 2
1 529 . 1 1 A 95 95 PHE C C 95 175.100 178.186 -3.086 2
1 530 . 1 1 A 95 95 PHE CA C 95 57.500 60.879 -3.379 2
1 531 . 1 1 A 95 95 PHE CB C 95 34.500 38.497 -3.997 2
1 532 . 1 1 A 95 95 PHE N N 95 122.500 119.389 3.111 2
1 533 . 1 1 A 96 96 ARG H H 96 8.500 8.571 -0.071 2
1 534 . 1 1 A 96 96 ARG HA H 96 4.040 3.977 0.063 2
1 540 . 1 1 A 96 96 ARG C C 96 175.700 178.178 -2.478 2
1 541 . 1 1 A 96 96 ARG CA C 96 56.800 59.789 -2.989 2
1 542 . 1 1 A 96 96 ARG CB C 96 26.800 29.704 -2.904 2
1 545 . 1 1 A 96 96 ARG N N 96 121.600 120.916 0.684 2
1 546 . 1 1 A 97 97 ALA H H 97 7.960 8.350 -0.390 2
1 547 . 1 1 A 97 97 ALA HA H 97 4.110 4.082 0.028 2
1 551 . 1 1 A 97 97 ALA C C 97 178.600 179.729 -1.129 2
1 552 . 1 1 A 97 97 ALA CA C 97 52.100 55.247 -3.147 2
1 553 . 1 1 A 97 97 ALA CB C 97 15.200 18.087 -2.887 2
1 554 . 1 1 A 97 97 ALA N N 97 120.300 121.217 -0.917 2
1 555 . 1 1 A 98 98 MET H H 98 7.600 8.368 -0.768 2
1 556 . 1 1 A 98 98 MET HA H 98 3.830 4.066 -0.236 2
1 559 . 1 1 A 98 98 MET C C 98 173.900 178.210 -4.310 2
1 560 . 1 1 A 98 98 MET CA C 98 56.400 58.226 -1.826 2
1 561 . 1 1 A 98 98 MET CB C 98 30.100 32.065 -1.965 2
1 563 . 1 1 A 98 98 MET N N 98 118.400 118.447 -0.047 2
1 564 . 1 1 A 99 99 GLN H H 99 8.410 8.088 0.322 2
1 565 . 1 1 A 99 99 GLN HA H 99 3.800 4.049 -0.249 2
1 569 . 1 1 A 99 99 GLN C C 99 173.400 178.373 -4.973 2
1 570 . 1 1 A 99 99 GLN CA C 99 56.800 59.111 -2.311 2
1 571 . 1 1 A 99 99 GLN CB C 99 25.900 28.448 -2.548 2
1 573 . 1 1 A 99 99 GLN N N 99 120.800 118.966 1.834 2
1 574 . 1 1 A 100 100 GLU H H 100 8.510 8.569 -0.059 2
1 575 . 1 1 A 100 100 GLU HA H 100 3.820 3.986 -0.166 2
1 580 . 1 1 A 100 100 GLU C C 100 175.900 178.675 -2.775 2
1 581 . 1 1 A 100 100 GLU CA C 100 56.500 59.422 -2.922 2
1 582 . 1 1 A 100 100 GLU CB C 100 26.900 28.742 -1.842 2
1 584 . 1 1 A 100 100 GLU N N 100 117.600 117.342 0.258 2
1 585 . 1 1 A 101 101 CYS H H 101 7.310 7.844 -0.534 2
1 586 . 1 1 A 101 101 CYS HA H 101 4.230 4.090 0.140 2
1 589 . 1 1 A 101 101 CYS C C 101 173.800 176.514 -2.714 2
1 590 . 1 1 A 101 101 CYS CA C 101 57.800 59.425 -1.625 2
1 591 . 1 1 A 101 101 CYS CB C 101 36.500 41.849 -5.349 2
1 592 . 1 1 A 101 101 CYS N N 101 117.800 118.977 -1.177 2
1 593 . 1 1 A 102 102 MET H H 102 8.400 8.297 0.103 2
1 594 . 1 1 A 102 102 MET HA H 102 3.820 4.474 -0.654 2
1 599 . 1 1 A 102 102 MET C C 102 177.100 177.498 -0.398 2
1 600 . 1 1 A 102 102 MET CA C 102 57.100 57.108 -0.008 2
1 601 . 1 1 A 102 102 MET CB C 102 30.200 31.702 -1.502 2
1 603 . 1 1 A 102 102 MET N N 102 119.100 119.498 -0.398 2
1 604 . 1 1 A 103 103 GLN H H 103 7.850 8.265 -0.415 2
1 605 . 1 1 A 103 103 GLN HA H 103 3.960 4.158 -0.198 2
1 612 . 1 1 A 103 103 GLN C C 103 174.000 177.228 -3.228 2
1 613 . 1 1 A 103 103 GLN CA C 103 55.000 57.824 -2.824 2
1 614 . 1 1 A 103 103 GLN CB C 103 25.900 28.176 -2.276 2
1 616 . 1 1 A 103 103 GLN N N 103 117.200 117.458 -0.258 2
1 618 . 1 1 A 104 104 LYS H H 104 7.470 7.535 -0.065 2
1 619 . 1 1 A 104 104 LYS HA H 104 3.880 4.164 -0.284 2
1 626 . 1 1 A 104 104 LYS C C 104 173.200 176.035 -2.835 2
1 627 . 1 1 A 104 104 LYS CA C 104 54.600 57.709 -3.109 2
1 628 . 1 1 A 104 104 LYS CB C 104 29.600 33.207 -3.607 2
1 632 . 1 1 A 104 104 LYS N N 104 116.700 117.814 -1.114 2
1 633 . 1 1 A 105 105 TYR H H 105 7.390 7.784 -0.394 2
1 634 . 1 1 A 105 105 TYR HA H 105 5.040 5.031 0.009 2
1 639 . 1 1 A 105 105 TYR C C 105 170.800 174.739 -3.939 2
1 640 . 1 1 A 105 105 TYR CA C 105 52.300 55.079 -2.779 2
1 641 . 1 1 A 105 105 TYR CB C 105 36.700 38.888 -2.188 2
1 642 . 1 1 A 105 105 TYR N N 105 115.700 117.798 -2.098 2
1 643 . 1 1 A 106 106 PRO HA H 106 4.470 4.546 -0.077 2
1 650 . 1 1 A 106 106 PRO CA C 106 61.800 64.904 -3.104 2
1 651 . 1 1 A 106 106 PRO CB C 106 29.000 31.965 -2.965 2
1 654 . 1 1 A 107 107 ASP H H 107 8.750 7.837 0.913 2
1 655 . 1 1 A 107 107 ASP HA H 107 4.310 4.522 -0.212 2
1 658 . 1 1 A 107 107 ASP C C 107 174.000 175.611 -1.611 2
1 659 . 1 1 A 107 107 ASP CA C 107 52.200 53.092 -0.892 2
1 660 . 1 1 A 107 107 ASP CB C 107 36.800 42.101 -5.301 2
1 661 . 1 1 A 107 107 ASP N N 107 114.800 116.440 -1.640 2
1 662 . 1 1 A 108 108 LEU H H 108 7.270 7.691 -0.421 2
1 663 . 1 1 A 108 108 LEU HA H 108 4.030 4.044 -0.014 2
1 673 . 1 1 A 108 108 LEU C C 108 173.800 177.168 -3.368 2
1 674 . 1 1 A 108 108 LEU CA C 108 52.500 56.255 -3.755 2
1 675 . 1 1 A 108 108 LEU CB C 108 40.000 41.661 -1.661 2
1 679 . 1 1 A 108 108 LEU N N 108 118.900 119.328 -0.428 2
stop_
save_