============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 2 0.840 0.304 82.973 -9.669 -99.200 -91.000 PHE 3 1.000 -1.551 84.580 -15.658 -99.200 -91.000 PHE 9 1.000 5.776 75.183 -7.168 -99.200 -91.000 HIS 13 0.900 3.781 65.411 -14.877 -99.200 -91.000 TYR 16 0.840 1.898 62.059 -10.716 -99.200 -91.000 TRP 29 1.040 -5.875 62.857 -8.155 -99.200 -91.000 TRP6 29 1.020 -3.702 62.577 -9.007 -99.200 -91.000 PHE 30 1.000 -10.814 57.941 -8.180 -99.200 -91.000 PHE 32 1.000 -2.634 57.204 -0.870 -99.200 -91.000 PHE 42 1.000 -1.056 68.366 9.525 -99.200 -91.000 TRP 56 1.040 20.165 76.944 2.607 -99.200 -91.000 TRP6 56 1.020 18.446 77.262 4.200 -99.200 -91.000 PHE 69 1.000 1.610 63.784 -0.992 -99.200 -91.000 TYR 71 0.840 -0.759 64.740 -5.195 -99.200 -91.000 TRP 73 1.040 -8.386 73.131 -3.752 -99.200 -91.000 TRP6 73 1.020 -9.036 72.684 -5.979 -99.200 -91.000