============================================================================= 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 7 1.000 0.852 7.050 22.786 -99.200 -91.000 HIS 23 0.900 6.158 17.965 22.067 -99.200 -91.000 TYR 29 0.840 22.202 22.581 30.062 -99.200 -91.000 PHE 45 1.000 0.489 7.732 14.642 -99.200 -91.000 PHE 52 1.000 4.683 4.274 4.301 -99.200 -91.000 TYR 55 0.840 -6.044 8.153 8.275 -99.200 -91.000 TYR 68 0.840 -2.016 20.050 23.282 -99.200 -91.000 HIS 80 0.900 -8.604 1.217 2.612 -99.200 -91.000 PHE 88 1.000 2.304 2.698 9.608 -99.200 -91.000 PHE 89 1.000 -2.365 6.292 17.782 -99.200 -91.000 PHE 92 1.000 3.283 8.506 18.624 -99.200 -91.000 PHE 93 1.000 1.681 2.549 24.905 -99.200 -91.000 TYR 103 0.840 16.640 9.323 27.118 -99.200 -91.000 PHE 106 1.000 15.882 14.165 31.997 -99.200 -91.000