============================================================================= 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. PHE 1 1.000 40.601 -0.124 -24.828 -99.200 -91.000 PHE 6 1.000 46.493 5.966 -27.041 -99.200 -91.000 PHE 9 1.000 44.958 9.963 -22.695 -99.200 -91.000 TRP 19 1.040 46.120 3.237 -17.841 -99.200 -91.000 TRP6 19 1.020 47.193 3.642 -19.923 -99.200 -91.000 PHE 34 1.000 29.512 14.013 -22.880 -99.200 -91.000 TYR 41 0.840 48.340 6.723 -8.201 -99.200 -91.000 TYR 55 0.840 44.353 7.103 -0.738 -99.200 -91.000 PHE 65 1.000 49.353 16.986 -25.694 -99.200 -91.000 PHE 68 1.000 46.763 10.962 -13.640 -99.200 -91.000 TRP 72 1.040 48.085 11.737 -2.206 -99.200 -91.000 TRP6 72 1.020 48.078 9.635 -3.317 -99.200 -91.000 TRP 85 1.040 50.604 11.634 -11.337 -99.200 -91.000 TRP6 85 1.020 49.108 11.353 -9.518 -99.200 -91.000 TYR 88 0.840 54.436 13.366 -23.468 -99.200 -91.000 TRP 102 1.040 55.224 12.762 -9.706 -99.200 -91.000 TRP6 102 1.020 56.154 13.475 -7.642 -99.200 -91.000 TYR 106 0.840 55.656 18.036 1.209 -99.200 -91.000 PHE 121 1.000 51.020 6.689 -13.946 -99.200 -91.000 TYR 123 0.840 45.968 -1.609 -21.791 -99.200 -91.000