============================================================================= 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 8 1.000 -45.086 16.777 9.371 -99.200 -91.000 HIS 9 0.900 -41.921 24.301 7.163 -99.200 -91.000 TYR 17 0.840 -52.371 10.657 16.428 -99.200 -91.000 TYR 28 0.840 -50.818 16.269 23.766 -99.200 -91.000 PHE 36 1.000 -32.404 16.701 15.781 -99.200 -91.000 HIS 42 0.900 -30.888 -1.840 6.049 -99.200 -91.000 PHE 46 1.000 -33.199 7.283 11.317 -99.200 -91.000 TYR 47 0.840 -35.344 13.668 6.638 -99.200 -91.000 TYR 49 0.840 -39.846 15.299 11.063 -99.200 -91.000 HIS 52 0.900 -43.144 23.858 23.357 -99.200 -91.000 PHE 53 1.000 -46.109 16.988 23.015 -99.200 -91.000 TRP 56 1.040 -48.244 20.125 26.628 -99.200 -91.000 TRP6 56 1.020 -48.305 18.001 27.635 -99.200 -91.000 TYR 60 0.840 -43.863 17.402 30.867 -99.200 -91.000