============================================================================= 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. HIS 6 0.900 12.323 -8.550 24.391 -99.200 -91.000 TYR 14 0.840 14.932 -11.466 37.442 -99.200 -91.000 PHE 30 1.000 11.914 -5.749 36.839 -99.200 -91.000 PHE 54 1.000 12.303 -7.740 45.509 -99.200 -91.000 TYR 55 0.840 14.999 -7.156 41.406 -99.200 -91.000 PHE 80 1.000 11.718 -16.349 35.616 -99.200 -91.000 PHE 82 1.000 13.679 -18.141 40.234 -99.200 -91.000 PHE 86 1.000 19.520 -16.902 50.687 -99.200 -91.000 TYR 88 0.840 24.622 -13.230 57.593 -99.200 -91.000 HIS 100 0.900 2.911 -13.812 35.171 -99.200 -91.000 PHE 101 1.000 10.540 -11.524 34.654 -99.200 -91.000 PHE 103 1.000 8.615 -9.972 29.250 -99.200 -91.000 PHE 116 1.000 9.549 -17.034 47.753 -99.200 -91.000 HIS 122 0.900 17.395 -28.132 53.026 -99.200 -91.000