============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 1 0.900 16.296 -3.968 61.340 -99.200 -91.000 PHE 6 1.000 32.746 -14.664 63.478 -99.200 -91.000 PHE 38 1.000 37.078 -19.243 50.911 -99.200 -91.000 HIS 47 0.900 48.616 -12.981 67.817 -99.200 -91.000 HIS 49 0.900 37.581 -15.375 67.389 -99.200 -91.000 TYR 50 0.840 40.873 -18.456 68.751 -99.200 -91.000 HIS 53 0.900 40.872 -19.036 75.008 -99.200 -91.000 PHE 58 1.000 43.558 -23.194 75.487 -99.200 -91.000 PHE 59 1.000 47.355 -16.946 71.950 -99.200 -91.000 PHE 65 1.000 41.968 -25.423 63.030 -99.200 -91.000 PHE 72 1.000 30.874 -18.519 53.903 -99.200 -91.000 TRP 76 1.040 24.660 -17.832 59.625 -99.200 -91.000 TRP6 76 1.020 23.157 -18.587 57.990 -99.200 -91.000 TYR 106 0.840 29.063 -32.596 58.905 -99.200 -91.000 HIS 112 0.900 42.807 -29.500 63.010 -99.200 -91.000 HIS 116 0.900 33.750 -18.927 67.792 -99.200 -91.000 HIS 120 0.900 24.076 -19.852 74.723 -99.200 -91.000 PHE 133 1.000 36.647 -12.998 63.184 -99.200 -91.000 PHE 134 1.000 31.038 -10.683 58.552 -99.200 -91.000 TRP 142 1.040 18.686 -10.582 53.744 -99.200 -91.000 TRP6 142 1.020 17.647 -12.533 52.912 -99.200 -91.000 TRP 149 1.040 4.517 -18.714 55.532 -99.200 -91.000 TRP6 149 1.020 2.343 -19.331 56.250 -99.200 -91.000 TYR 151 0.840 11.624 -16.127 63.352 -99.200 -91.000