============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. PHE 6 1.000 33.522 46.311 37.394 -99.200 -91.000 TYR 21 0.840 30.662 58.544 47.948 -99.200 -91.000 PHE 27 1.000 19.348 45.449 42.916 -99.200 -91.000 TYR 44 0.840 18.538 59.428 49.605 -99.200 -91.000 PHE 65 1.000 27.261 42.911 38.777 -99.200 -91.000 HIS 69 0.900 30.259 58.886 38.096 -99.200 -91.000 TYR 72 0.840 27.272 66.913 46.271 -99.200 -91.000 PHE 78 1.000 27.794 56.658 49.730 -99.200 -91.000 PHE 81 1.000 22.357 55.501 47.208 -99.200 -91.000 HIS 96 0.900 37.225 56.584 48.844 -99.200 -91.000