============================================================================= 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 19 1.000 12.226 8.239 55.014 -99.200 -91.000 PHE 22 1.000 7.262 10.785 55.557 -99.200 -91.000 TRP 24 1.040 11.133 18.512 62.696 -99.200 -91.000 TRP6 24 1.020 9.547 20.096 62.010 -99.200 -91.000 HIS 33 0.900 7.733 15.154 72.763 -99.200 -91.000 PHE 54 1.000 7.838 7.826 62.813 -99.200 -91.000 TYR 59 0.840 6.313 0.390 56.613 -99.200 -91.000 HIS 61 0.900 -0.196 9.406 54.792 -99.200 -91.000 PHE 76 1.000 17.029 4.800 72.641 -99.200 -91.000 TRP 78 1.040 14.687 8.167 74.875 -99.200 -91.000 TRP6 78 1.020 15.631 9.544 73.222 -99.200 -91.000 PHE 85 1.000 11.658 13.392 65.610 -99.200 -91.000