============================================================================= 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. TYR 33 0.840 5.090 8.952 -14.877 -99.200 -91.000 PHE 38 1.000 13.336 4.701 -18.115 -99.200 -91.000 PHE 55 1.000 14.423 11.151 -18.484 -99.200 -91.000 TYR 78 0.840 9.296 10.613 -30.243 -99.200 -91.000 HIS 83 0.900 3.455 23.744 -29.384 -99.200 -91.000 PHE 87 1.000 1.460 18.543 -21.554 -99.200 -91.000 PHE 91 1.000 14.340 20.004 -31.845 -99.200 -91.000 PHE 94 1.000 19.129 16.312 -32.390 -99.200 -91.000 PHE 107 1.000 39.785 -11.316 -40.593 -99.200 -91.000 TYR 116 0.840 47.487 -12.425 -23.301 -99.200 -91.000 HIS 118 0.900 48.045 -4.265 -30.596 -99.200 -91.000 TYR 121 0.840 46.731 1.949 -26.993 -99.200 -91.000 TYR 124 0.840 39.377 -12.501 -24.905 -99.200 -91.000 PHE 129 1.000 35.800 -8.337 -20.499 -99.200 -91.000 TYR 134 0.840 42.365 -1.083 -29.467 -99.200 -91.000 PHE 146 1.000 31.457 -9.104 -29.421 -99.200 -91.000 TYR 163 0.840 31.728 5.792 -41.901 -99.200 -91.000 PHE 166 1.000 36.200 -1.855 -39.523 -99.200 -91.000 TYR 170 0.840 40.778 -4.441 -42.767 -99.200 -91.000 HIS 176 0.900 46.893 -9.734 -33.487 -99.200 -91.000