============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 3 0.840 -15.229 10.558 27.134 -99.200 -91.000 PHE 5 1.000 -11.069 4.927 17.740 -99.200 -91.000 TRP 18 1.040 -9.239 12.148 21.119 -99.200 -91.000 TRP6 18 1.020 -10.060 10.314 19.877 -99.200 -91.000 TRP 19 1.040 -6.998 16.386 22.573 -99.200 -91.000 TRP6 19 1.020 -9.277 16.700 22.073 -99.200 -91.000 PHE 21 1.000 -3.189 8.681 16.585 -99.200 -91.000 TYR 24 0.840 -2.321 11.988 10.324 -99.200 -91.000 TYR 27 0.840 -11.105 8.626 4.033 -99.200 -91.000 HIS 47 0.900 -12.586 3.490 13.950 -99.200 -91.000 TYR 51 0.840 -16.787 3.266 14.749 -99.200 -91.000 TRP 61 1.040 -27.745 4.762 16.720 -99.200 -91.000 TRP6 61 1.020 -29.428 4.768 18.358 -99.200 -91.000 PHE 63 1.000 -17.168 7.949 16.513 -99.200 -91.000 PHE 64 1.000 -24.206 9.366 20.413 -99.200 -91.000 TYR 67 0.840 -15.911 -0.616 22.968 -99.200 -91.000 TYR 69 0.840 -11.534 -1.094 26.481 -99.200 -91.000 PHE 100 1.000 -5.970 5.252 14.609 -99.200 -91.000 TYR 105 0.840 0.494 12.387 13.999 -99.200 -91.000 TYR 110 0.840 -3.009 18.295 14.491 -99.200 -91.000