============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 5 1.000 -15.640 -18.554 21.169 -99.200 -91.000 HIS 6 0.900 -11.348 -16.360 21.894 -99.200 -91.000 HIS 45 0.900 -10.546 -21.593 30.084 -99.200 -91.000 PHE 48 1.000 -6.135 -15.368 25.211 -99.200 -91.000 TRP 51 1.040 -3.313 -16.008 39.078 -99.200 -91.000 TRP6 51 1.020 -2.752 -16.511 41.316 -99.200 -91.000 PHE 87 1.000 -7.447 -3.176 28.681 -99.200 -91.000 HIS 99 0.900 20.430 6.365 23.845 -99.200 -91.000 HIS 120 0.900 -7.144 -6.866 11.200 -99.200 -91.000 PHE 121 1.000 -8.751 -3.596 17.250 -99.200 -91.000 PHE 126 1.000 -6.024 6.564 16.219 -99.200 -91.000 PHE 132 1.000 0.351 13.418 30.311 -99.200 -91.000 HIS 150 0.900 17.183 5.102 28.772 -99.200 -91.000 PHE 160 1.000 12.900 -13.300 19.172 -99.200 -91.000 TYR 161 0.840 13.596 -16.004 15.164 -99.200 -91.000 TYR 167 0.840 19.821 -9.976 7.872 -99.200 -91.000 TYR 170 0.840 14.813 -23.362 6.642 -99.200 -91.000 PHE 178 1.000 9.737 -5.599 8.432 -99.200 -91.000 TRP 185 1.040 12.783 -0.038 12.756 -99.200 -91.000 TRP6 185 1.020 11.284 1.289 11.493 -99.200 -91.000 TYR 193 0.840 13.588 -4.295 16.303 -99.200 -91.000 HIS 234 0.900 14.394 -3.251 41.214 -99.200 -91.000