============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 6 0.840 5.489 -9.355 8.210 -99.200 -91.000 TYR 9 0.840 9.795 -12.209 5.660 -99.200 -91.000 HIS 15 0.900 5.875 -24.290 5.789 -99.200 -91.000 PHE 18 1.000 15.565 -19.838 6.074 -99.200 -91.000 PHE 24 1.000 7.795 -14.502 0.387 -99.200 -91.000 HIS 31 0.900 17.483 -6.746 10.465 -99.200 -91.000 PHE 36 1.000 21.948 -8.079 6.624 -99.200 -91.000 TYR 41 0.840 16.084 -10.159 5.747 -99.200 -91.000 PHE 48 1.000 14.022 -20.558 11.634 -99.200 -91.000 PHE 56 1.000 10.556 -15.571 12.465 -99.200 -91.000 PHE 73 1.000 4.294 -14.494 22.822 -99.200 -91.000 PHE 74 1.000 10.032 -14.031 17.340 -99.200 -91.000 PHE 82 1.000 17.780 -14.298 21.119 -99.200 -91.000 PHE 93 1.000 12.472 -13.462 22.087 -99.200 -91.000 HIS 96 0.900 6.855 -3.665 19.791 -99.200 -91.000 PHE 98 1.000 7.851 0.920 12.886 -99.200 -91.000 TYR 99 0.840 9.417 -6.294 8.353 -99.200 -91.000 PHE 101 1.000 6.942 -5.050 2.419 -99.200 -91.000 TRP 110 1.040 14.913 1.464 9.987 -99.200 -91.000 TRP6 110 1.020 13.490 1.709 8.100 -99.200 -91.000