============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 25 1.000 16.797 3.974 21.116 -99.200 -91.000 PHE 27 1.000 9.551 2.827 15.336 -99.200 -91.000 PHE 29 1.000 11.727 8.569 13.492 -99.200 -91.000 TYR 32 0.840 6.170 2.492 11.211 -99.200 -91.000 HIS 35 0.900 0.141 11.697 14.852 -99.200 -91.000 TRP 36 1.040 6.531 16.081 18.788 -99.200 -91.000 TRP6 36 1.020 7.793 15.383 20.658 -99.200 -91.000 TYR 47 0.840 -2.629 15.613 16.955 -99.200 -91.000 TYR 58 0.840 -3.071 19.780 12.700 -99.200 -91.000 HIS 59 0.900 3.555 22.287 13.808 -99.200 -91.000 PHE 67 1.000 5.088 24.635 21.848 -99.200 -91.000 PHE 79 1.000 15.816 16.441 16.443 -99.200 -91.000 TYR 93 0.840 4.925 19.576 25.915 -99.200 -91.000 TYR 94 0.840 2.726 11.150 27.560 -99.200 -91.000 TYR 100 0.840 -4.037 3.445 5.769 -99.200 -91.000 TYR 101 0.840 -4.769 -0.025 12.806 -99.200 -91.000 PHE 109 1.000 -1.789 9.592 17.910 -99.200 -91.000 TRP 112 1.040 0.581 6.453 22.759 -99.200 -91.000 TRP6 112 1.020 -0.385 8.544 23.304 -99.200 -91.000 PHE 131 1.000 19.096 15.551 54.076 -99.200 -91.000 TYR 147 0.840 12.273 17.181 43.682 -99.200 -91.000 PHE 148 1.000 10.435 25.110 40.617 -99.200 -91.000 TRP 156 1.040 15.449 2.176 46.475 -99.200 -91.000 TRP6 156 1.020 16.588 2.641 48.494 -99.200 -91.000 HIS 166 0.900 5.518 0.270 48.217 -99.200 -91.000 PHE 168 1.000 5.517 6.694 49.734 -99.200 -91.000 TYR 178 0.840 7.045 20.426 42.721 -99.200 -91.000 TYR 192 0.840 19.085 -3.595 51.379 -99.200 -91.000 HIS 198 0.900 15.906 18.257 39.793 -99.200 -91.000