============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 11 1.000 7.680 16.695 29.392 -99.200 -91.000 HIS 18 0.900 8.563 10.337 31.931 -99.200 -91.000 TYR 39 0.840 4.596 11.238 19.166 -99.200 -91.000 PHE 52 1.000 10.393 2.628 31.597 -99.200 -91.000 TYR 54 0.840 6.073 0.671 31.518 -99.200 -91.000 TRP 70 1.040 -1.100 6.242 30.737 -99.200 -91.000 TRP6 70 1.020 -1.496 6.720 33.012 -99.200 -91.000 TYR 78 0.840 1.304 7.951 36.955 -99.200 -91.000 TRP 85 1.040 -4.315 6.903 38.363 -99.200 -91.000 TRP6 85 1.020 -3.408 5.164 37.058 -99.200 -91.000 PHE 101 1.000 8.098 15.741 39.995 -99.200 -91.000 PHE 113 1.000 4.689 19.708 25.763 -99.200 -91.000 HIS 117 0.900 4.210 18.008 20.898 -99.200 -91.000