============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 3 1.000 7.968 -82.187 15.336 -99.200 -91.000 PHE 15 1.000 18.627 -71.263 15.100 -99.200 -91.000 HIS 23 0.900 20.152 -70.502 21.926 -99.200 -91.000 HIS 31 0.900 28.552 -72.914 24.557 -99.200 -91.000 HIS 38 0.900 25.574 -80.760 16.120 -99.200 -91.000 PHE 41 1.000 15.424 -81.634 19.148 -99.200 -91.000 HIS 44 0.900 18.735 -86.223 30.835 -99.200 -91.000 TYR 51 0.840 25.136 -70.731 28.343 -99.200 -91.000 TYR 53 0.840 23.397 -74.793 30.029 -99.200 -91.000 TRP 64 1.040 16.365 -79.848 26.152 -99.200 -91.000 TRP6 64 1.020 14.452 -78.519 26.570 -99.200 -91.000 TYR 72 0.840 12.676 -73.735 26.653 -99.200 -91.000 TYR 78 0.840 9.034 -77.526 29.795 -99.200 -91.000 PHE 86 1.000 11.186 -67.257 21.073 -99.200 -91.000 TYR 101 0.840 17.203 -74.751 10.771 -99.200 -91.000