============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 1 0.900 6.286 -22.675 -29.280 -99.200 -91.000 PHE 3 1.000 11.149 -12.547 -30.246 -99.200 -91.000 PHE 23 1.000 12.790 1.438 -19.026 -99.200 -91.000 TYR 24 0.840 7.833 3.968 -12.088 -99.200 -91.000 PHE 35 1.000 3.699 -4.482 -25.274 -99.200 -91.000 PHE 39 1.000 6.333 -9.593 -16.650 -99.200 -91.000 TRP 58 1.040 7.589 -8.353 -28.361 -99.200 -91.000 TRP6 58 1.020 6.931 -6.202 -29.101 -99.200 -91.000 PHE 64 1.000 12.291 -6.977 -30.609 -99.200 -91.000 TRP 67 1.040 8.329 -0.748 -30.024 -99.200 -91.000 TRP6 67 1.020 10.081 -1.276 -28.522 -99.200 -91.000 PHE 73 1.000 13.672 1.137 -30.549 -99.200 -91.000 HIS 77 0.900 14.381 3.141 -26.943 -99.200 -91.000 PHE 99 1.000 21.477 -11.493 -23.589 -99.200 -91.000 TYR 101 0.840 15.605 -14.870 -23.748 -99.200 -91.000 TYR 105 0.840 3.649 -24.595 -19.900 -99.200 -91.000 HIS 106 0.900 1.766 -17.511 -19.777 -99.200 -91.000 TYR 107 0.840 -0.583 -22.746 -14.640 -99.200 -91.000