============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 6 1.000 2.467 8.599 38.328 -99.200 -91.000 TYR 12 0.840 -9.335 17.376 43.261 -99.200 -91.000 TYR 16 0.840 -10.464 19.598 47.141 -99.200 -91.000 TYR 23 0.840 -8.383 11.382 36.519 -99.200 -91.000 TRP 34 1.040 -12.144 5.042 25.017 -99.200 -91.000 TRP6 34 1.020 -12.125 3.331 26.646 -99.200 -91.000 PHE 55 1.000 -5.650 -2.772 40.857 -99.200 -91.000 TRP 70 1.040 -6.660 -1.722 47.211 -99.200 -91.000 TRP6 70 1.020 -4.858 -0.268 47.621 -99.200 -91.000 TYR 77 0.840 -5.476 9.726 27.231 -99.200 -91.000 PHE 81 1.000 -4.448 2.870 20.012 -99.200 -91.000 TYR 89 0.840 -8.681 6.416 43.995 -99.200 -91.000 TRP 93 1.040 -8.900 8.380 52.090 -99.200 -91.000 TRP6 93 1.020 -9.548 8.729 49.839 -99.200 -91.000 TYR 96 0.840 0.956 0.915 47.602 -99.200 -91.000 HIS 101 0.900 -1.333 -2.082 31.240 -99.200 -91.000 TYR 102 0.840 -3.092 -1.694 35.703 -99.200 -91.000 PHE 105 1.000 0.544 -1.981 41.403 -99.200 -91.000