============================================================================= 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. PHE 2 1.000 60.237 1.000 -16.020 -99.200 -91.000 HIS 5 0.900 54.128 -10.456 -25.138 -99.200 -91.000 HIS 31 0.900 45.449 -12.027 -10.143 -99.200 -91.000 PHE 35 1.000 44.281 -7.548 -15.047 -99.200 -91.000 TYR 39 0.840 47.789 -4.266 -24.911 -99.200 -91.000 HIS 54 0.900 39.227 1.476 -21.059 -99.200 -91.000 PHE 55 1.000 43.830 -4.626 -18.815 -99.200 -91.000 TRP 67 1.040 34.045 -5.821 -4.910 -99.200 -91.000 TRP6 67 1.020 32.072 -5.774 -6.209 -99.200 -91.000 PHE 82 1.000 37.862 -4.085 -20.110 -99.200 -91.000 PHE 108 1.000 37.278 -8.818 -26.629 -99.200 -91.000 TRP 125 1.040 22.943 -10.653 -28.100 -99.200 -91.000 TRP6 125 1.020 22.110 -11.892 -29.915 -99.200 -91.000 HIS 137 0.900 19.661 -13.704 -15.958 -99.200 -91.000 TYR 141 0.840 22.691 -11.675 -11.502 -99.200 -91.000 PHE 162 1.000 19.276 -7.489 -14.215 -99.200 -91.000 HIS 211 0.900 32.691 11.570 -7.597 -99.200 -91.000 TYR 225 0.840 9.092 1.116 -11.592 -99.200 -91.000 HIS 235 0.900 8.140 8.406 -21.676 -99.200 -91.000