============================================================================= 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. TYR 1 0.840 39.012 2.250 11.169 -99.200 -91.000 TYR 43 0.840 37.035 28.662 25.253 -99.200 -91.000 TYR 44 0.840 33.546 34.084 19.188 -99.200 -91.000 TRP 45 1.040 31.355 29.663 28.275 -99.200 -91.000 TRP6 45 1.020 30.815 27.441 27.657 -99.200 -91.000 TYR 53 0.840 48.380 30.605 29.313 -99.200 -91.000 PHE 59 1.000 41.455 10.835 29.878 -99.200 -91.000 HIS 65 0.900 37.225 -1.767 29.313 -99.200 -91.000 TYR 72 0.840 35.857 8.000 37.081 -99.200 -91.000 HIS 76 0.900 34.265 10.777 38.828 -99.200 -91.000 HIS 77 0.900 36.961 18.175 32.689 -99.200 -91.000 TYR 79 0.840 37.164 23.084 31.680 -99.200 -91.000 TYR 96 0.840 50.331 1.086 23.265 -99.200 -91.000 TRP 99 1.040 50.542 -2.554 28.941 -99.200 -91.000 TRP6 99 1.020 50.087 -0.240 28.678 -99.200 -91.000