============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 2 1.000 0.118 -7.435 -6.479 -99.200 -91.000 TYR 33 0.840 3.070 -14.758 4.893 -99.200 -91.000 TRP 36 1.040 4.851 -2.751 5.806 -99.200 -91.000 TRP6 36 1.020 4.060 -0.752 4.737 -99.200 -91.000 TYR 37 0.840 11.983 -4.716 1.948 -99.200 -91.000 TYR 50 0.840 10.134 -11.997 9.044 -99.200 -91.000 PHE 63 1.000 10.567 0.852 13.058 -99.200 -91.000 TYR 88 0.840 10.074 4.131 7.332 -99.200 -91.000 TYR 89 0.840 10.981 2.634 -1.149 -99.200 -91.000 TYR 93 0.840 7.388 -12.292 -2.581 -99.200 -91.000 HIS 98 0.900 7.654 -12.826 -12.235 -99.200 -91.000 PHE 101 1.000 10.740 -3.413 -3.576 -99.200 -91.000