============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 3 1.000 52.851 -20.057 2.494 -99.200 -91.000 TYR 4 0.840 43.905 -21.772 4.441 -99.200 -91.000 PHE 13 1.000 48.525 -24.581 5.874 -99.200 -91.000 PHE 20 1.000 54.725 -32.450 13.927 -99.200 -91.000 TYR 21 0.840 50.852 -33.582 17.214 -99.200 -91.000 TYR 34 0.840 53.690 -33.231 20.886 -99.200 -91.000 PHE 49 1.000 50.522 -20.261 15.451 -99.200 -91.000 TYR 53 0.840 52.997 -17.330 10.828 -99.200 -91.000 TRP 54 1.040 52.042 -20.532 7.097 -99.200 -91.000 TRP6 54 1.020 53.785 -19.186 6.232 -99.200 -91.000 TYR 60 0.840 45.899 -20.944 18.168 -99.200 -91.000 HIS 66 0.900 48.201 -12.134 21.722 -99.200 -91.000 HIS 73 0.900 55.078 -24.614 22.265 -99.200 -91.000 PHE 76 1.000 53.747 -29.289 27.391 -99.200 -91.000 TRP 86 1.040 57.392 -29.814 16.665 -99.200 -91.000 TRP6 86 1.020 57.305 -28.315 14.825 -99.200 -91.000 HIS 91 0.900 62.832 -30.004 7.434 -99.200 -91.000 HIS 106 0.900 53.788 -20.150 -2.494 -99.200 -91.000 TYR 113 0.840 56.367 -19.724 11.024 -99.200 -91.000 HIS 119 0.900 66.823 -23.928 15.143 -99.200 -91.000 PHE 126 1.000 67.574 -30.633 32.762 -99.200 -91.000