============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 12 1.000 9.899 55.539 24.193 -99.200 -91.000 PHE 20 1.000 11.482 47.044 20.898 -99.200 -91.000 PHE 24 1.000 16.375 52.503 14.413 -99.200 -91.000 PHE 25 1.000 10.715 58.759 9.944 -99.200 -91.000 HIS 33 0.900 26.990 58.665 13.698 -99.200 -91.000 PHE 37 1.000 23.072 52.138 23.773 -99.200 -91.000 TYR 47 0.840 25.669 53.187 15.199 -99.200 -91.000 HIS 48 0.900 19.666 50.698 11.096 -99.200 -91.000 PHE 70 1.000 15.209 54.917 20.823 -99.200 -91.000 PHE 98 1.000 -8.436 48.440 17.978 -99.200 -91.000 PHE 102 1.000 1.568 52.713 16.470 -99.200 -91.000 HIS 111 0.900 21.801 74.290 9.685 -99.200 -91.000 TYR 115 0.840 13.871 70.240 19.248 -99.200 -91.000 TRP 124 1.040 4.317 47.608 22.854 -99.200 -91.000 TRP6 124 1.020 5.270 49.787 22.828 -99.200 -91.000