============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 22 0.900 12.467 22.959 26.669 -99.200 -91.000 PHE 24 1.000 17.501 20.014 24.307 -99.200 -91.000 TRP 32 1.040 21.904 18.319 19.929 -99.200 -91.000 TRP6 32 1.020 23.636 19.612 20.889 -99.200 -91.000 PHE 35 1.000 23.489 20.656 31.817 -99.200 -91.000 HIS 47 0.900 19.188 35.001 37.125 -99.200 -91.000 PHE 55 1.000 27.857 25.139 31.713 -99.200 -91.000 TYR 60 0.840 26.977 22.154 28.304 -99.200 -91.000 TYR 69 0.840 7.685 36.764 23.868 -99.200 -91.000 TRP 70 1.040 8.092 36.449 18.445 -99.200 -91.000 TRP6 70 1.020 7.930 38.718 19.090 -99.200 -91.000 PHE 78 1.000 11.774 32.838 8.561 -99.200 -91.000 HIS 79 0.900 13.956 33.267 12.998 -99.200 -91.000 HIS 81 0.900 13.789 25.412 17.596 -99.200 -91.000 PHE 86 1.000 27.146 27.652 25.274 -99.200 -91.000 TYR 96 0.840 30.563 29.729 29.492 -99.200 -91.000 TYR 105 0.840 8.495 37.504 9.395 -99.200 -91.000 TYR 107 0.840 17.482 33.821 16.301 -99.200 -91.000