============================================================================= 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 5 1.000 28.746 39.392 0.646 -99.200 -91.000 TYR 26 0.840 41.369 36.838 -9.152 -99.200 -91.000 TRP 46 1.040 23.044 29.595 -9.515 -99.200 -91.000 TRP6 46 1.020 22.887 31.419 -8.021 -99.200 -91.000 TYR 64 0.840 33.073 9.927 8.723 -99.200 -91.000 HIS 80 0.900 18.438 4.700 12.267 -99.200 -91.000 HIS 85 0.900 13.472 4.174 1.748 -99.200 -91.000 HIS 91 0.900 30.212 4.870 7.254 -99.200 -91.000 HIS 93 0.900 38.643 3.576 8.152 -99.200 -91.000 HIS 97 0.900 44.788 11.883 8.961 -99.200 -91.000 PHE 110 1.000 10.573 22.519 0.348 -99.200 -91.000 PHE 127 1.000 33.908 16.980 0.766 -99.200 -91.000