============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 8 1.000 33.190 -9.321 39.915 -99.200 -91.000 PHE 29 1.000 44.520 -1.112 39.839 -99.200 -91.000 PHE 32 1.000 40.347 -11.384 40.583 -99.200 -91.000 TRP 33 1.040 42.516 -7.979 48.123 -99.200 -91.000 TRP6 33 1.020 42.864 -7.934 50.471 -99.200 -91.000 TRP 36 1.040 48.040 -15.626 50.123 -99.200 -91.000 TRP6 36 1.020 45.663 -15.739 50.267 -99.200 -91.000 PHE 44 1.000 44.703 -4.116 49.180 -99.200 -91.000 TYR 46 0.840 53.537 1.570 46.208 -99.200 -91.000 TYR 51 0.840 39.218 4.953 44.990 -99.200 -91.000 HIS 53 0.900 44.462 12.568 39.561 -99.200 -91.000 PHE 54 1.000 44.713 8.080 37.993 -99.200 -91.000 HIS 74 0.900 37.475 -3.869 60.200 -99.200 -91.000 PHE 76 1.000 46.625 -6.580 53.870 -99.200 -91.000 TYR 80 0.840 49.302 -3.465 55.664 -99.200 -91.000 PHE 84 1.000 41.890 -0.054 47.820 -99.200 -91.000 TYR 98 0.840 37.506 -11.508 35.982 -99.200 -91.000 PHE 107 1.000 42.153 -10.406 35.320 -99.200 -91.000 HIS 129 0.900 50.043 8.548 36.883 -99.200 -91.000 TYR 131 0.840 49.267 -1.262 33.071 -99.200 -91.000