============================================================================= 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 26 1.000 -7.624 3.517 -2.288 -99.200 -91.000 PHE 39 1.000 -2.672 8.570 -7.608 -99.200 -91.000 HIS 40 0.900 1.574 6.880 -11.302 -99.200 -91.000 PHE 48 1.000 -5.807 12.900 -9.958 -99.200 -91.000 PHE 53 1.000 -14.246 5.655 -3.492 -99.200 -91.000 PHE 73 1.000 -14.488 2.426 -7.693 -99.200 -91.000 HIS 74 0.900 -9.321 -0.360 -13.742 -99.200 -91.000 PHE 76 1.000 -18.466 4.339 -13.971 -99.200 -91.000 HIS 80 0.900 -10.436 17.525 -15.307 -99.200 -91.000 HIS 107 0.900 -25.069 17.276 -18.945 -99.200 -91.000 HIS 115 0.900 -11.124 18.274 7.454 -99.200 -91.000 TYR 116 0.840 -16.455 15.577 5.106 -99.200 -91.000