============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 1 1.000 25.107 -58.147 -3.114 -99.200 -91.000 PHE 9 1.000 19.530 -47.562 10.347 -99.200 -91.000 HIS 13 0.900 13.394 -42.309 15.584 -99.200 -91.000 PHE 19 1.000 17.843 -41.836 15.621 -99.200 -91.000 TYR 21 0.840 17.070 -50.466 19.895 -99.200 -91.000 TYR 32 0.840 25.585 -40.665 12.684 -99.200 -91.000 HIS 33 0.900 30.394 -46.176 18.112 -99.200 -91.000 TYR 43 0.840 11.623 -33.488 11.575 -99.200 -91.000 PHE 45 1.000 21.233 -37.513 13.394 -99.200 -91.000 TYR 46 0.840 14.859 -36.789 8.508 -99.200 -91.000 HIS 47 0.900 21.014 -32.808 1.080 -99.200 -91.000 HIS 58 0.900 7.062 -36.346 12.908 -99.200 -91.000 TYR 72 0.840 15.142 -40.815 5.059 -99.200 -91.000 HIS 78 0.900 33.729 -40.772 11.181 -99.200 -91.000 TYR 81 0.840 24.027 -35.182 3.514 -99.200 -91.000 TRP 83 1.040 20.722 -41.142 -2.120 -99.200 -91.000 TRP6 83 1.020 18.883 -39.667 -2.423 -99.200 -91.000 TYR 92 0.840 -1.377 -44.866 17.556 -99.200 -91.000 TYR 101 0.840 13.515 -50.078 3.166 -99.200 -91.000