============================================================================= 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. TYR 12 0.840 -41.848 -37.815 36.556 -99.200 -91.000 TRP 13 1.040 -35.337 -35.661 38.839 -99.200 -91.000 TRP6 13 1.020 -35.456 -33.496 37.866 -99.200 -91.000 PHE 15 1.000 -40.585 -32.946 43.886 -99.200 -91.000 TYR 21 0.840 -38.704 -37.829 53.915 -99.200 -91.000 TRP 23 1.040 -36.613 -28.641 49.413 -99.200 -91.000 TRP6 23 1.020 -37.553 -29.641 47.499 -99.200 -91.000 PHE 30 1.000 -49.523 -23.250 54.533 -99.200 -91.000 HIS 48 0.900 -36.877 -28.826 42.222 -99.200 -91.000 TRP 52 1.040 -52.990 -33.427 40.000 -99.200 -91.000 TRP6 52 1.020 -53.554 -35.404 41.154 -99.200 -91.000 PHE 97 1.000 -55.932 -27.291 42.544 -99.200 -91.000 TRP 104 1.040 -54.334 -32.389 33.080 -99.200 -91.000 TRP6 104 1.020 -53.961 -30.980 34.944 -99.200 -91.000 TYR 106 0.840 -43.985 -35.985 30.990 -99.200 -91.000 HIS 114 0.900 -55.778 -28.869 31.365 -99.200 -91.000 TYR 118 0.840 -52.851 -28.939 40.255 -99.200 -91.000