============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 4 0.840 24.531 -2.564 18.098 -99.200 -91.000 HIS 32 0.900 31.292 -12.222 12.447 -99.200 -91.000 PHE 39 1.000 12.052 -10.250 11.371 -99.200 -91.000 TYR 40 0.840 10.389 -5.399 18.400 -99.200 -91.000 TYR 53 0.840 6.475 2.397 7.170 -99.200 -91.000 HIS 72 0.900 29.909 -4.190 0.653 -99.200 -91.000 TRP 89 1.040 11.556 -4.812 -11.795 -99.200 -91.000 TRP6 89 1.020 12.291 -6.299 -10.124 -99.200 -91.000 PHE 101 1.000 31.660 1.500 11.613 -99.200 -91.000 HIS 115 0.900 18.442 7.592 11.630 -99.200 -91.000 TYR 116 0.840 17.413 12.379 10.719 -99.200 -91.000 TRP 126 1.040 10.042 0.262 22.285 -99.200 -91.000 TRP6 126 1.020 10.474 -0.093 24.580 -99.200 -91.000 PHE 129 1.000 15.974 -1.948 27.001 -99.200 -91.000 PHE 137 1.000 22.425 6.192 21.748 -99.200 -91.000 HIS 148 0.900 13.523 6.178 33.752 -99.200 -91.000 PHE 152 1.000 10.211 7.057 22.321 -99.200 -91.000 TRP 158 1.040 5.218 -8.940 10.445 -99.200 -91.000 TRP6 158 1.020 4.855 -6.701 9.811 -99.200 -91.000