============================================================================= 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 2 1.000 52.835 27.630 20.510 -99.200 -91.000 PHE 9 1.000 39.218 24.351 -0.542 -99.200 -91.000 PHE 10 1.000 46.297 21.224 -2.768 -99.200 -91.000 TYR 13 0.840 41.901 14.450 -6.492 -99.200 -91.000 PHE 16 1.000 39.777 15.611 1.607 -99.200 -91.000 TYR 17 0.840 39.236 24.211 5.230 -99.200 -91.000 TYR 18 0.840 45.337 18.390 2.569 -99.200 -91.000 HIS 27 0.900 45.565 45.407 -1.976 -99.200 -91.000 TYR 35 0.840 43.826 35.989 5.883 -99.200 -91.000 PHE 39 1.000 48.073 23.977 1.924 -99.200 -91.000 PHE 54 1.000 46.560 21.619 13.063 -99.200 -91.000 PHE 55 1.000 41.340 25.748 19.497 -99.200 -91.000 HIS 72 0.900 38.877 7.662 11.367 -99.200 -91.000 PHE 78 1.000 48.195 12.720 23.481 -99.200 -91.000 HIS 101 0.900 34.283 4.154 12.323 -99.200 -91.000 TYR 114 0.840 42.454 13.860 5.116 -99.200 -91.000 PHE 123 1.000 36.776 21.955 12.777 -99.200 -91.000 PHE 130 1.000 39.786 38.874 20.011 -99.200 -91.000 PHE 137 1.000 49.108 43.735 3.872 -99.200 -91.000