============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 2 0.900 6.270 -22.877 -29.632 -99.200 -91.000 PHE 4 1.000 11.220 -12.519 -30.555 -99.200 -91.000 PHE 24 1.000 12.642 1.277 -19.167 -99.200 -91.000 TYR 25 0.840 7.510 3.868 -12.244 -99.200 -91.000 PHE 36 1.000 3.812 -4.573 -25.523 -99.200 -91.000 PHE 40 1.000 6.220 -9.715 -16.923 -99.200 -91.000 TRP 59 1.040 7.675 -8.345 -28.635 -99.200 -91.000 TRP6 59 1.020 7.035 -6.177 -29.340 -99.200 -91.000 PHE 65 1.000 12.345 -7.028 -30.790 -99.200 -91.000 TRP 68 1.040 8.431 -0.784 -30.281 -99.200 -91.000 TRP6 68 1.020 10.186 -1.265 -28.758 -99.200 -91.000 PHE 74 1.000 13.757 1.364 -30.790 -99.200 -91.000 HIS 78 0.900 14.275 3.228 -27.304 -99.200 -91.000 PHE 100 1.000 21.488 -11.581 -23.722 -99.200 -91.000 TYR 102 0.840 15.641 -15.038 -23.924 -99.200 -91.000 TYR 106 0.840 3.611 -24.939 -20.269 -99.200 -91.000 HIS 107 0.900 1.636 -17.833 -20.055 -99.200 -91.000 TYR 108 0.840 -0.584 -23.198 -14.928 -99.200 -91.000