============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 8 1.000 10.104 43.041 31.239 -99.200 -91.000 PHE 13 1.000 13.396 40.936 35.514 -99.200 -91.000 HIS 16 0.900 6.750 51.746 27.242 -99.200 -91.000 HIS 18 0.900 10.147 46.682 23.209 -99.200 -91.000 TRP 45 1.040 15.678 32.939 23.277 -99.200 -91.000 TRP6 45 1.020 14.600 33.959 21.427 -99.200 -91.000 TYR 48 0.840 24.746 37.092 17.818 -99.200 -91.000 PHE 58 1.000 26.684 40.440 25.207 -99.200 -91.000 PHE 60 1.000 20.533 37.458 27.087 -99.200 -91.000 TYR 65 0.840 20.070 35.933 31.841 -99.200 -91.000 TRP 68 1.040 24.974 46.914 32.940 -99.200 -91.000 TRP6 68 1.020 27.280 46.386 32.887 -99.200 -91.000 TRP 71 1.040 23.331 41.172 28.822 -99.200 -91.000 TRP6 71 1.020 21.600 42.628 29.530 -99.200 -91.000