============================================================================= 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. PHE 3 1.000 16.975 -18.312 56.556 -99.200 -91.000 TYR 4 0.840 12.783 -11.922 51.150 -99.200 -91.000 PHE 13 1.000 14.712 -11.564 56.445 -99.200 -91.000 PHE 20 1.000 19.279 -4.332 66.050 -99.200 -91.000 TYR 21 0.840 18.851 0.335 63.904 -99.200 -91.000 TYR 34 0.840 22.988 1.540 65.706 -99.200 -91.000 PHE 49 1.000 24.398 -7.487 54.659 -99.200 -91.000 TYR 53 0.840 24.116 -13.561 54.556 -99.200 -91.000 TRP 54 1.040 19.462 -14.289 56.140 -99.200 -91.000 TRP6 54 1.020 20.535 -16.354 56.562 -99.200 -91.000 TYR 60 0.840 23.434 -3.206 51.638 -99.200 -91.000 HIS 66 0.900 31.641 -6.008 47.105 -99.200 -91.000 HIS 73 0.900 29.111 -2.424 60.576 -99.200 -91.000 PHE 76 1.000 29.444 4.356 62.795 -99.200 -91.000 TRP 86 1.040 23.906 -4.972 66.098 -99.200 -91.000 TRP6 86 1.020 23.410 -7.067 65.097 -99.200 -91.000 HIS 91 0.900 20.291 -14.148 70.560 -99.200 -91.000 HIS 106 0.900 14.045 -22.251 57.429 -99.200 -91.000 TYR 113 0.840 24.811 -13.713 58.591 -99.200 -91.000 HIS 119 0.900 31.292 -13.203 69.044 -99.200 -91.000 PHE 126 1.000 39.496 2.926 73.584 -99.200 -91.000