============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 6 1.000 17.513 -14.488 28.606 -99.200 -91.000 HIS 14 0.900 18.182 -19.555 37.185 -99.200 -91.000 PHE 17 1.000 20.452 -20.932 31.422 -99.200 -91.000 HIS 31 0.900 18.185 -6.455 19.595 -99.200 -91.000 HIS 65 0.900 10.936 -0.038 43.046 -99.200 -91.000 PHE 68 1.000 1.561 -0.235 44.521 -99.200 -91.000 PHE 88 1.000 24.867 -1.916 26.334 -99.200 -91.000 TYR 90 0.840 19.428 4.299 29.760 -99.200 -91.000 TYR 91 0.840 14.146 0.379 23.846 -99.200 -91.000 PHE 113 1.000 17.800 8.475 37.946 -99.200 -91.000 HIS 120 0.900 19.022 12.815 27.956 -99.200 -91.000 TYR 129 0.840 -3.868 -1.586 36.576 -99.200 -91.000 HIS 130 0.900 -5.565 -0.132 29.375 -99.200 -91.000 TYR 150 0.840 11.911 18.106 33.556 -99.200 -91.000