============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. TYR 3 0.840 -2.778 4.922 10.306 -99.200 -91.000 TRP 30 1.040 -10.004 15.206 15.193 -99.200 -91.000 TRP6 30 1.020 -8.760 14.277 13.410 -99.200 -91.000 HIS 47 0.900 11.624 -10.044 2.717 -99.200 -91.000 PHE 48 1.000 8.507 -5.010 9.043 -99.200 -91.000 TRP 50 1.040 0.593 -5.825 5.943 -99.200 -91.000 TRP6 50 1.020 0.073 -4.392 7.754 -99.200 -91.000 PHE 55 1.000 6.821 -5.788 14.427 -99.200 -91.000 PHE 64 1.000 4.450 5.165 12.419 -99.200 -91.000 HIS 65 0.900 8.616 10.451 8.961 -99.200 -91.000 PHE 87 1.000 18.948 -9.340 13.653 -99.200 -91.000 HIS 88 0.900 18.587 -10.074 5.308 -99.200 -91.000 PHE 106 1.000 -4.430 -7.088 9.036 -99.200 -91.000