============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 9 0.840 6.814 101.420 61.127 -99.200 -91.000 PHE 19 1.000 7.892 104.101 51.537 -99.200 -91.000 TYR 35 0.840 6.765 105.617 45.827 -99.200 -91.000 TYR 37 0.840 14.992 106.215 52.947 -99.200 -91.000 TYR 38 0.840 13.851 109.560 60.782 -99.200 -91.000 PHE 46 1.000 11.377 113.212 59.559 -99.200 -91.000 TYR 52 0.840 11.708 124.465 69.274 -99.200 -91.000 HIS 53 0.900 4.822 123.009 61.394 -99.200 -91.000 TYR 54 0.840 5.308 125.977 68.864 -99.200 -91.000 PHE 66 1.000 10.227 108.491 43.849 -99.200 -91.000 HIS 82 0.900 13.743 133.213 72.630 -99.200 -91.000 TYR 89 0.840 13.253 136.304 80.671 -99.200 -91.000 PHE 91 1.000 10.742 140.397 80.261 -99.200 -91.000 PHE 94 1.000 9.665 132.387 82.139 -99.200 -91.000 TRP 98 1.040 6.454 139.499 84.129 -99.200 -91.000 TRP6 98 1.020 8.528 138.430 84.467 -99.200 -91.000 HIS 101 0.900 4.426 143.159 79.307 -99.200 -91.000 TRP 121 1.040 21.643 110.911 51.644 -99.200 -91.000 TRP6 121 1.020 23.857 110.461 50.966 -99.200 -91.000 TYR 153 0.840 19.395 117.299 40.366 -99.200 -91.000 PHE 168 1.000 24.457 114.540 38.662 -99.200 -91.000 TRP 181 1.040 13.828 111.358 38.424 -99.200 -91.000 TRP6 181 1.020 13.165 110.065 40.282 -99.200 -91.000 TRP 182 1.040 10.616 115.281 40.900 -99.200 -91.000 TRP6 182 1.020 12.890 115.650 40.475 -99.200 -91.000 TRP 184 1.040 7.824 111.116 34.401 -99.200 -91.000 TRP6 184 1.020 9.843 110.116 33.715 -99.200 -91.000