============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 18 0.840 27.989 11.609 11.760 -99.200 -91.000 TYR 25 0.840 19.067 15.154 24.098 -99.200 -91.000 TYR 48 0.840 14.644 16.979 -0.698 -99.200 -91.000 PHE 54 1.000 28.034 9.311 -8.724 -99.200 -91.000 TYR 58 0.840 28.007 7.330 6.574 -99.200 -91.000 PHE 59 1.000 19.950 10.181 7.840 -99.200 -91.000 PHE 73 1.000 19.610 9.462 1.487 -99.200 -91.000 TYR 75 0.840 19.508 10.859 -4.112 -99.200 -91.000 PHE 87 1.000 19.769 5.876 7.629 -99.200 -91.000 PHE 101 1.000 23.681 12.873 24.746 -99.200 -91.000 TRP 106 1.040 21.306 16.155 9.670 -99.200 -91.000 TRP6 106 1.020 19.387 16.179 8.301 -99.200 -91.000 HIS 114 0.900 16.665 19.735 1.236 -99.200 -91.000 TYR 118 0.840 6.773 10.279 12.388 -99.200 -91.000 TRP 125 1.040 16.080 -0.429 30.410 -99.200 -91.000 TRP6 125 1.020 15.225 -2.063 31.888 -99.200 -91.000