============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 7 1.000 49.729 -1.480 11.395 -99.200 -91.000 PHE 27 1.000 44.196 -0.660 21.386 -99.200 -91.000 PHE 32 1.000 47.753 -2.919 26.086 -99.200 -91.000 PHE 39 1.000 43.733 10.781 8.835 -99.200 -91.000 HIS 46 0.900 51.970 0.718 2.931 -99.200 -91.000 HIS 50 0.900 48.465 -4.865 6.074 -99.200 -91.000 TYR 51 0.840 44.937 -6.292 3.494 -99.200 -91.000 PHE 59 1.000 39.867 -12.574 -0.099 -99.200 -91.000 PHE 60 1.000 45.408 -8.385 -3.481 -99.200 -91.000 TYR 66 0.840 37.123 -1.778 4.072 -99.200 -91.000 TRP 77 1.040 48.013 1.583 20.439 -99.200 -91.000 TRP6 77 1.020 47.598 3.242 22.110 -99.200 -91.000 PHE 107 1.000 32.360 2.132 19.404 -99.200 -91.000 HIS 117 0.900 45.600 -5.644 10.895 -99.200 -91.000 TRP 132 1.040 50.995 -0.846 7.478 -99.200 -91.000 TRP6 132 1.020 49.215 0.436 6.667 -99.200 -91.000 PHE 133 1.000 53.652 3.414 12.267 -99.200 -91.000 TYR 141 0.840 55.760 7.954 25.232 -99.200 -91.000 HIS 146 0.900 56.588 0.756 33.316 -99.200 -91.000 TRP 148 1.040 51.569 4.507 40.540 -99.200 -91.000 TRP6 148 1.020 51.354 3.671 42.754 -99.200 -91.000 TYR 150 0.840 53.370 -2.961 32.332 -99.200 -91.000