============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. PHE 22 1.000 75.319 9.698 10.343 -99.200 -91.000 PHE 45 1.000 70.352 19.790 4.761 -99.200 -91.000 PHE 50 1.000 71.218 7.329 6.228 -99.200 -91.000 TYR 56 0.840 70.014 7.491 -7.517 -99.200 -91.000 PHE 70 1.000 74.716 6.965 2.750 -99.200 -91.000 HIS 91 0.900 68.218 5.360 -16.323 -99.200 -91.000 HIS 94 0.900 60.711 12.731 -12.472 -99.200 -91.000 HIS 99 0.900 61.822 17.787 6.812 -99.200 -91.000 PHE 103 1.000 58.645 7.758 12.544 -99.200 -91.000