============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. PHE 18 1.000 9.267 23.921 -6.714 -99.200 -91.000 TYR 25 0.840 19.960 31.985 -4.873 -99.200 -91.000 PHE 31 1.000 12.023 23.710 9.680 -99.200 -91.000 PHE 40 1.000 25.585 33.945 11.641 -99.200 -91.000 PHE 79 1.000 5.644 49.232 16.221 -99.200 -91.000 TYR 92 0.840 8.751 43.828 7.466 -99.200 -91.000 PHE 97 1.000 6.552 34.378 -0.152 -99.200 -91.000