============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 16 1.000 -8.722 13.611 52.759 -99.200 -91.000 PHE 23 1.000 0.294 10.115 47.161 -99.200 -91.000 HIS 31 0.900 3.295 -6.558 42.643 -99.200 -91.000 PHE 36 1.000 1.759 3.830 39.743 -99.200 -91.000 TYR 78 0.840 -0.929 5.633 34.837 -99.200 -91.000 PHE 81 1.000 2.001 16.746 37.445 -99.200 -91.000 HIS 86 0.900 11.078 25.416 32.979 -99.200 -91.000 PHE 88 1.000 5.504 19.316 40.425 -99.200 -91.000 TYR 93 0.840 1.257 18.764 44.714 -99.200 -91.000 HIS 101 0.900 -6.335 19.055 52.505 -99.200 -91.000 PHE 103 1.000 -4.594 29.663 55.322 -99.200 -91.000 PHE 106 1.000 -9.467 32.626 52.496 -99.200 -91.000 TYR 107 0.840 -7.364 24.632 45.917 -99.200 -91.000