============================================================================= 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. TYR 6 0.840 8.592 32.604 8.727 -99.200 -91.000 TRP 7 1.040 14.971 26.984 9.400 -99.200 -91.000 TRP6 7 1.020 15.303 24.729 8.756 -99.200 -91.000 TYR 18 0.840 6.090 28.442 10.626 -99.200 -91.000 TYR 20 0.840 3.489 32.824 7.723 -99.200 -91.000 TYR 26 0.840 -3.402 40.742 11.064 -99.200 -91.000 HIS 46 0.900 4.188 31.359 23.907 -99.200 -91.000 PHE 48 1.000 2.573 37.803 21.009 -99.200 -91.000 TYR 49 0.840 -2.747 34.249 14.514 -99.200 -91.000 TYR 59 0.840 -12.979 24.000 10.274 -99.200 -91.000 PHE 60 1.000 -5.372 23.820 13.743 -99.200 -91.000 TYR 63 0.840 -5.628 18.948 2.611 -99.200 -91.000 TYR 86 0.840 -6.717 24.021 24.063 -99.200 -91.000 PHE 88 1.000 -6.387 28.504 21.679 -99.200 -91.000 PHE 103 1.000 3.869 19.002 22.077 -99.200 -91.000 PHE 105 1.000 4.302 12.998 16.763 -99.200 -91.000 PHE 110 1.000 10.120 -0.237 12.665 -99.200 -91.000 TYR 115 0.840 7.587 11.478 8.279 -99.200 -91.000 PHE 131 1.000 -3.088 29.344 11.634 -99.200 -91.000 PHE 135 1.000 3.594 23.749 11.255 -99.200 -91.000 HIS 139 0.900 14.207 10.319 11.283 -99.200 -91.000