============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. TRP 5 1.040 98.607 39.913 69.572 -99.200 -91.000 TRP6 5 1.020 97.964 38.194 68.180 -99.200 -91.000 HIS 9 0.900 91.989 41.181 67.730 -99.200 -91.000 TRP 29 1.040 99.932 53.389 67.618 -99.200 -91.000 TRP6 29 1.020 100.383 51.447 66.342 -99.200 -91.000 HIS 34 0.900 107.877 48.836 75.154 -99.200 -91.000 TYR 35 0.840 104.842 45.568 76.423 -99.200 -91.000 TYR 36 0.840 101.723 42.031 71.662 -99.200 -91.000 TRP 40 1.040 100.106 39.941 60.444 -99.200 -91.000 TRP6 40 1.020 97.885 39.187 60.215 -99.200 -91.000 TYR 52 0.840 84.890 51.540 57.693 -99.200 -91.000 TYR 57 0.840 85.425 57.936 68.243 -99.200 -91.000 TYR 61 0.840 86.652 60.319 72.684 -99.200 -91.000 TYR 81 0.840 108.216 45.643 51.502 -99.200 -91.000