============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 6 1.000 8.601 41.101 2.330 -99.200 -91.000 PHE 21 1.000 -7.569 33.400 12.059 -99.200 -91.000 PHE 36 1.000 -3.700 35.462 -1.916 -99.200 -91.000 PHE 38 1.000 -5.600 28.153 -2.018 -99.200 -91.000 TYR 47 0.840 -2.646 33.640 7.914 -99.200 -91.000 PHE 64 1.000 -5.545 48.621 1.136 -99.200 -91.000 HIS 75 0.900 7.916 52.739 9.088 -99.200 -91.000 HIS 96 0.900 -11.954 48.641 0.720 -99.200 -91.000 PHE 99 1.000 -15.917 40.606 -2.794 -99.200 -91.000 TYR 107 0.840 -9.083 35.061 -0.535 -99.200 -91.000 PHE 113 1.000 -2.252 45.240 -2.191 -99.200 -91.000 PHE 121 1.000 0.876 39.837 -2.650 -99.200 -91.000 TRP 123 1.040 -1.089 36.929 3.172 -99.200 -91.000 TRP6 123 1.020 -1.750 39.182 2.877 -99.200 -91.000