============================================================================= 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 4 1.000 5.155 20.081 18.002 -99.200 -91.000 PHE 13 1.000 21.305 21.310 9.888 -99.200 -91.000 PHE 26 1.000 38.433 16.521 20.466 -99.200 -91.000 PHE 33 1.000 30.215 12.826 17.751 -99.200 -91.000 TYR 40 0.840 29.880 9.092 26.446 -99.200 -91.000 PHE 41 1.000 25.250 9.124 24.588 -99.200 -91.000 TYR 73 0.840 40.368 10.039 19.265 -99.200 -91.000 TYR 82 0.840 37.574 -7.354 16.993 -99.200 -91.000 PHE 83 1.000 31.337 -7.591 22.788 -99.200 -91.000 PHE 104 1.000 22.853 26.572 19.957 -99.200 -91.000 TYR 123 0.840 4.024 23.482 28.945 -99.200 -91.000 PHE 135 1.000 11.412 5.338 18.994 -99.200 -91.000