============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 3 1.000 28.418 6.204 53.110 -99.200 -91.000 TYR 10 0.840 33.288 11.626 63.384 -99.200 -91.000 TRP 28 1.040 33.107 13.350 53.795 -99.200 -91.000 TRP6 28 1.020 31.903 11.403 54.373 -99.200 -91.000 HIS 46 0.900 35.055 -1.350 47.901 -99.200 -91.000 PHE 47 1.000 34.359 6.829 47.272 -99.200 -91.000 HIS 59 0.900 36.340 3.015 38.796 -99.200 -91.000 PHE 60 1.000 30.517 4.220 44.100 -99.200 -91.000 PHE 74 1.000 41.909 18.125 45.407 -99.200 -91.000 TYR 76 0.840 49.062 8.925 41.584 -99.200 -91.000 TYR 80 0.840 47.942 11.687 47.229 -99.200 -91.000 PHE 85 1.000 37.771 -0.163 51.854 -99.200 -91.000 PHE 87 1.000 31.421 0.755 58.417 -99.200 -91.000 HIS 91 0.900 25.817 7.996 66.501 -99.200 -91.000