============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 3 0.840 47.302 61.282 24.226 -99.200 -91.000 TYR 9 0.840 51.294 75.360 18.832 -99.200 -91.000 PHE 10 1.000 45.572 72.918 22.320 -99.200 -91.000 PHE 19 1.000 32.474 69.734 26.214 -99.200 -91.000 PHE 20 1.000 40.434 73.671 19.646 -99.200 -91.000 PHE 30 1.000 27.495 71.572 7.422 -99.200 -91.000 HIS 31 0.900 31.806 74.155 6.883 -99.200 -91.000 TYR 33 0.840 34.527 63.787 4.782 -99.200 -91.000 PHE 49 1.000 36.091 59.226 1.918 -99.200 -91.000 PHE 59 1.000 44.580 64.356 20.835 -99.200 -91.000 TYR 75 0.840 20.675 65.262 -14.948 -99.200 -91.000 TYR 77 0.840 24.858 62.787 -9.377 -99.200 -91.000 HIS 86 0.900 23.073 61.641 13.413 -99.200 -91.000 TYR 93 0.840 44.286 66.012 25.349 -99.200 -91.000 TYR 104 0.840 17.979 70.303 8.366 -99.200 -91.000 TYR 110 0.840 22.416 76.310 12.328 -99.200 -91.000 TYR 114 0.840 23.571 67.169 20.188 -99.200 -91.000