============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. HIS 4 0.900 16.872 203.875 177.550 -99.200 -91.000 TYR 5 0.840 14.556 196.856 177.131 -99.200 -91.000 TYR 21 0.840 25.771 185.880 169.100 -99.200 -91.000 TYR 22 0.840 26.599 188.662 164.914 -99.200 -91.000 PHE 33 1.000 10.008 195.126 172.414 -99.200 -91.000 HIS 53 0.900 29.975 180.235 144.527 -99.200 -91.000 PHE 62 1.000 23.810 194.455 145.223 -99.200 -91.000 PHE 63 1.000 30.591 185.976 144.027 -99.200 -91.000 PHE 65 1.000 26.427 191.932 153.268 -99.200 -91.000 HIS 68 0.900 31.689 189.840 155.534 -99.200 -91.000 TYR 73 0.840 25.600 180.749 158.085 -99.200 -91.000 TYR 81 0.840 25.810 172.290 171.480 -99.200 -91.000 HIS 91 0.900 24.446 167.280 153.942 -99.200 -91.000 PHE 96 1.000 27.459 167.080 141.537 -99.200 -91.000 PHE 100 1.000 17.886 168.659 133.950 -99.200 -91.000 TRP 119 1.040 31.573 171.119 133.133 -99.200 -91.000 TRP6 119 1.020 29.315 171.819 133.250 -99.200 -91.000 TYR 120 0.840 32.509 167.114 139.879 -99.200 -91.000 TYR 131 0.840 19.646 155.645 142.714 -99.200 -91.000 PHE 137 1.000 22.651 168.377 127.228 -99.200 -91.000 PHE 141 1.000 31.241 169.630 144.675 -99.200 -91.000 HIS 147 0.900 21.658 171.065 153.212 -99.200 -91.000 TYR 151 0.840 12.139 176.750 164.900 -99.200 -91.000 PHE 152 1.000 15.707 173.067 165.014 -99.200 -91.000 TYR 157 0.840 22.941 184.324 164.629 -99.200 -91.000 PHE 169 1.000 10.333 192.033 176.630 -99.200 -91.000 HIS 171 0.900 3.620 184.546 172.317 -99.200 -91.000 HIS 176 0.900 3.589 205.519 165.163 -99.200 -91.000 PHE 185 1.000 7.060 207.488 172.040 -99.200 -91.000 TRP 194 1.040 10.902 206.561 177.646 -99.200 -91.000 TRP6 194 1.020 10.103 208.474 176.506 -99.200 -91.000 HIS 197 0.900 21.851 203.653 168.181 -99.200 -91.000 TRP 205 1.040 3.890 190.728 157.439 -99.200 -91.000 TRP6 205 1.020 5.107 188.701 157.466 -99.200 -91.000 PHE 209 1.000 7.291 198.766 162.379 -99.200 -91.000 PHE 210 1.000 11.981 200.630 155.055 -99.200 -91.000 PHE 219 1.000 10.266 195.876 152.502 -99.200 -91.000 TRP 230 1.040 9.726 160.493 156.127 -99.200 -91.000 TRP6 230 1.020 11.328 160.959 157.801 -99.200 -91.000 TYR 241 0.840 19.632 176.528 142.780 -99.200 -91.000 HIS 242 0.900 17.359 173.279 135.398 -99.200 -91.000 HIS 244 0.900 16.502 181.398 140.041 -99.200 -91.000 TYR 246 0.840 14.783 175.006 146.734 -99.200 -91.000 TRP 266 1.040 0.255 190.457 150.828 -99.200 -91.000 TRP6 266 1.020 1.895 191.390 152.237 -99.200 -91.000 PHE 297 1.000 0.438 169.756 153.254 -99.200 -91.000 TRP 298 1.040 7.857 174.470 154.007 -99.200 -91.000 TRP6 298 1.020 8.691 172.263 153.837 -99.200 -91.000 TYR 311 0.840 15.094 198.927 150.401 -99.200 -91.000 HIS 315 0.900 14.721 208.000 158.325 -99.200 -91.000 PHE 323 1.000 14.154 201.812 158.110 -99.200 -91.000 HIS 327 0.900 18.226 190.412 154.432 -99.200 -91.000 PHE 328 1.000 12.631 187.505 145.513 -99.200 -91.000 TRP 355 1.040 30.400 194.540 151.274 -99.200 -91.000 TRP6 355 1.020 31.494 193.457 153.057 -99.200 -91.000 HIS 357 0.900 26.170 203.309 146.310 -99.200 -91.000 PHE 359 1.000 23.756 194.841 150.660 -99.200 -91.000