============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 3 1.000 -17.281 18.132 56.659 -99.200 -91.000 TYR 4 0.840 -13.058 11.927 51.120 -99.200 -91.000 PHE 13 1.000 -15.033 11.509 56.390 -99.200 -91.000 PHE 20 1.000 -19.531 4.166 65.953 -99.200 -91.000 TYR 21 0.840 -18.771 -0.434 63.736 -99.200 -91.000 TYR 34 0.840 -23.117 -1.555 65.573 -99.200 -91.000 PHE 49 1.000 -24.532 7.283 54.646 -99.200 -91.000 TYR 53 0.840 -24.373 13.315 54.518 -99.200 -91.000 TRP 54 1.040 -19.763 14.102 56.104 -99.200 -91.000 TRP6 54 1.020 -20.834 16.154 56.598 -99.200 -91.000 TYR 60 0.840 -23.491 3.273 51.573 -99.200 -91.000 HIS 66 0.900 -31.483 6.003 46.952 -99.200 -91.000 HIS 73 0.900 -29.331 2.305 60.464 -99.200 -91.000 PHE 76 1.000 -29.624 -4.561 62.725 -99.200 -91.000 PHE 86 1.000 -24.012 6.018 65.670 -99.200 -91.000 HIS 91 0.900 -20.761 13.823 70.449 -99.200 -91.000 HIS 106 0.900 -14.332 22.268 57.542 -99.200 -91.000 TYR 113 0.840 -25.092 13.445 58.546 -99.200 -91.000 HIS 119 0.900 -31.669 13.031 68.932 -99.200 -91.000 PHE 126 1.000 -39.690 -3.083 73.438 -99.200 -91.000