============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 3 1.000 14.060 39.008 50.213 -99.200 -91.000 PHE 14 1.000 -2.610 41.418 32.075 -99.200 -91.000 PHE 16 1.000 5.236 36.596 37.931 -99.200 -91.000 HIS 24 0.900 21.782 37.694 51.628 -99.200 -91.000 TRP 31 1.040 6.327 34.218 42.830 -99.200 -91.000 TRP6 31 1.020 7.989 32.631 43.379 -99.200 -91.000 HIS 39 0.900 -1.456 36.866 37.430 -99.200 -91.000 PHE 43 1.000 11.026 29.108 38.839 -99.200 -91.000 HIS 61 0.900 1.049 26.713 41.664 -99.200 -91.000 PHE 66 1.000 -8.532 31.044 37.398 -99.200 -91.000 TYR 72 0.840 5.098 27.414 44.378 -99.200 -91.000 PHE 76 1.000 14.652 30.211 45.525 -99.200 -91.000 PHE 80 1.000 15.777 25.095 46.326 -99.200 -91.000 TYR 85 0.840 17.132 28.983 41.166 -99.200 -91.000 TYR 87 0.840 9.406 34.370 38.542 -99.200 -91.000 TYR 88 0.840 7.316 30.668 30.990 -99.200 -91.000 HIS 92 0.900 -1.894 37.395 32.799 -99.200 -91.000