============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 29 1.000 33.568 -1.050 36.745 -99.200 -91.000 HIS 40 0.900 23.419 -15.659 52.900 -99.200 -91.000 HIS 62 0.900 22.689 -12.061 68.826 -99.200 -91.000 TYR 72 0.840 32.439 2.122 59.045 -99.200 -91.000 HIS 73 0.900 30.368 -3.171 65.587 -99.200 -91.000 HIS 144 0.900 13.341 0.054 36.579 -99.200 -91.000 PHE 171 1.000 0.696 -19.139 38.185 -99.200 -91.000 TRP 174 1.040 -2.124 -20.469 33.460 -99.200 -91.000 TRP6 174 1.020 -2.130 -21.784 35.422 -99.200 -91.000 HIS 181 0.900 -8.123 -24.456 39.659 -99.200 -91.000 HIS 190 0.900 10.022 -24.504 42.795 -99.200 -91.000 TRP 193 1.040 21.737 -20.826 44.645 -99.200 -91.000 TRP6 193 1.020 23.669 -19.598 45.211 -99.200 -91.000 HIS 217 0.900 5.584 9.240 37.580 -99.200 -91.000 PHE 220 1.000 14.298 5.740 33.025 -99.200 -91.000 TYR 224 0.840 2.788 6.283 37.721 -99.200 -91.000 HIS 232 0.900 10.090 -10.512 24.297 -99.200 -91.000 HIS 238 0.900 16.623 -7.983 28.540 -99.200 -91.000 PHE 243 1.000 12.794 7.996 21.036 -99.200 -91.000 TRP 267 1.040 24.833 6.224 32.749 -99.200 -91.000 TRP6 267 1.020 23.465 5.058 31.208 -99.200 -91.000 PHE 280 1.000 20.055 -11.164 15.739 -99.200 -91.000 HIS 281 0.900 25.912 -16.699 13.067 -99.200 -91.000 TRP 286 1.040 13.755 -11.679 19.621 -99.200 -91.000 TRP6 286 1.020 14.970 -9.728 19.051 -99.200 -91.000 PHE 288 1.000 7.605 -7.928 21.180 -99.200 -91.000 PHE 296 1.000 -2.243 -12.591 35.025 -99.200 -91.000 TYR 316 0.840 1.254 -1.890 43.886 -99.200 -91.000 PHE 327 1.000 -0.281 -18.064 46.677 -99.200 -91.000 PHE 334 1.000 -1.192 -15.944 41.763 -99.200 -91.000 HIS 346 0.900 -12.247 2.376 48.194 -99.200 -91.000 TRP 351 1.040 -1.149 5.978 55.139 -99.200 -91.000 TRP6 351 1.020 0.344 6.874 56.742 -99.200 -91.000 TRP 367 1.040 -3.260 2.955 57.872 -99.200 -91.000 TRP6 367 1.020 -4.063 2.294 55.752 -99.200 -91.000