============================================================================= 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 4 1.000 -85.832 -14.274 28.727 -99.200 -91.000 TYR 5 0.840 -83.332 -5.541 26.926 -99.200 -91.000 PHE 14 1.000 -81.635 -8.949 31.008 -99.200 -91.000 PHE 21 1.000 -72.620 -12.358 39.465 -99.200 -91.000 TYR 22 0.840 -69.674 -7.632 38.891 -99.200 -91.000 TYR 35 0.840 -66.458 -11.881 39.218 -99.200 -91.000 PHE 50 1.000 -72.934 -12.776 27.030 -99.200 -91.000 TYR 54 0.840 -77.806 -15.888 25.412 -99.200 -91.000 TRP 55 1.040 -80.899 -13.557 28.514 -99.200 -91.000 TRP6 55 1.020 -81.943 -15.666 28.145 -99.200 -91.000 TYR 61 0.840 -70.024 -8.578 25.092 -99.200 -91.000 HIS 67 0.900 -68.582 -12.862 16.499 -99.200 -91.000 HIS 74 0.900 -65.666 -16.145 31.535 -99.200 -91.000 PHE 77 1.000 -60.480 -13.973 35.305 -99.200 -91.000 PHE 87 1.000 -71.803 -16.732 37.089 -99.200 -91.000 HIS 92 0.900 -79.652 -20.505 40.877 -99.200 -91.000 HIS 107 0.900 -90.661 -14.700 29.694 -99.200 -91.000 TYR 114 0.840 -77.178 -18.025 28.929 -99.200 -91.000 HIS 120 0.900 -70.551 -28.546 33.800 -99.200 -91.000 PHE 127 1.000 -55.722 -27.765 41.244 -99.200 -91.000