============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 18 1.000 31.623 17.665 7.572 -99.200 -91.000 PHE 19 1.000 36.858 14.035 4.176 -99.200 -91.000 HIS 26 0.900 47.129 12.088 10.659 -99.200 -91.000 TRP 33 1.040 44.017 12.305 1.739 -99.200 -91.000 TRP6 33 1.020 45.180 10.519 2.809 -99.200 -91.000 TYR 48 0.840 54.162 15.570 -18.033 -99.200 -91.000 TRP 77 1.040 59.739 3.760 -10.153 -99.200 -91.000 TRP6 77 1.020 58.843 2.415 -11.874 -99.200 -91.000 TYR 87 0.840 55.533 4.405 -15.328 -99.200 -91.000 PHE 98 1.000 45.030 4.993 2.224 -99.200 -91.000 TYR 109 0.840 34.732 10.161 2.673 -99.200 -91.000 PHE 116 1.000 24.555 14.789 0.471 -99.200 -91.000