============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 3 1.000 35.770-212.317 7.088 -99.200 -91.000 TYR 10 0.840 32.207-219.200 12.476 -99.200 -91.000 TYR 14 0.840 26.317-220.203 13.682 -99.200 -91.000 HIS 21 0.900 14.228-221.867 13.092 -99.200 -91.000 TYR 57 0.840 6.577-202.699 14.467 -99.200 -91.000 HIS 84 0.900 19.169-191.370 7.695 -99.200 -91.000 TYR 88 0.840 16.926-186.602 2.930 -99.200 -91.000 TYR 92 0.840 19.552-182.915 2.823 -99.200 -91.000 TYR 112 0.840 25.016-203.450 16.338 -99.200 -91.000 HIS 115 0.900 32.618-201.493 13.672 -99.200 -91.000 PHE 121 1.000 20.702-204.583 15.901 -99.200 -91.000 PHE 125 1.000 13.730-204.143 9.876 -99.200 -91.000 TYR 127 0.840 13.814-201.581 4.889 -99.200 -91.000 TYR 130 0.840 5.451-192.112 -4.537 -99.200 -91.000 TYR 134 0.840 15.285-194.536 -8.417 -99.200 -91.000 TYR 136 0.840 3.223-196.946 -5.516 -99.200 -91.000 TYR 139 0.840 14.696-200.410 -1.882 -99.200 -91.000 TYR 147 0.840 20.500-201.393 0.022 -99.200 -91.000 TRP 150 1.040 13.793-208.483 -3.207 -99.200 -91.000 TRP6 150 1.020 14.717-210.374 -4.260 -99.200 -91.000 TYR 170 0.840 4.936-209.128 -9.698 -99.200 -91.000 TYR 197 0.840 -10.757-212.771 12.982 -99.200 -91.000 PHE 202 1.000 -3.016-208.171 3.244 -99.200 -91.000 TYR 215 0.840 -5.018-193.806 3.805 -99.200 -91.000 PHE 219 1.000 -5.946-203.595 4.273 -99.200 -91.000