============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 9 0.840 -3.896 -78.450 -13.109 -99.200 -91.000 TYR 12 0.840 -12.630 -77.723 -7.540 -99.200 -91.000 TYR 14 0.840 -8.051 -73.814 2.533 -99.200 -91.000 TYR 25 0.840 -4.101 -65.313 -13.655 -99.200 -91.000 PHE 26 1.000 -2.224 -72.677 -10.685 -99.200 -91.000 TYR 32 0.840 0.969 -89.572 -14.578 -99.200 -91.000 TYR 40 0.840 8.762 -86.439 -7.456 -99.200 -91.000 HIS 47 0.900 -1.268 -63.361 -17.312 -99.200 -91.000 HIS 49 0.900 5.006 -60.150 -14.952 -99.200 -91.000 TRP 50 1.040 1.090 -59.951 -13.290 -99.200 -91.000 TRP6 50 1.020 -1.097 -59.981 -14.202 -99.200 -91.000 HIS 59 0.900 7.211 -80.746 1.294 -99.200 -91.000 PHE 77 1.000 4.401 -77.198 -6.965 -99.200 -91.000 TYR 93 0.840 4.113 -56.525 -5.423 -99.200 -91.000 PHE 103 1.000 -4.639 -51.897 -14.654 -99.200 -91.000 TYR 105 0.840 -4.495 -59.354 -6.695 -99.200 -91.000 HIS 107 0.900 -5.296 -59.122 -2.215 -99.200 -91.000 HIS 108 0.900 0.973 -62.495 0.482 -99.200 -91.000 TYR 109 0.840 -5.798 -64.581 -2.852 -99.200 -91.000 TYR 113 0.840 -2.736 -76.775 -6.976 -99.200 -91.000 PHE 115 1.000 -2.996 -82.067 -8.468 -99.200 -91.000