============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 4 1.000 -0.637 85.034 -6.432 -99.200 -91.000 TYR 6 0.840 1.139 86.700 0.587 -99.200 -91.000 PHE 7 1.000 8.481 90.040 1.627 -99.200 -91.000 TYR 9 0.840 4.261 92.892 5.527 -99.200 -91.000 HIS 19 0.900 -0.213 75.265 3.999 -99.200 -91.000 PHE 27 1.000 10.142 78.343 2.235 -99.200 -91.000 PHE 28 1.000 9.761 80.584 -5.715 -99.200 -91.000 PHE 36 1.000 9.078 98.815 1.157 -99.200 -91.000 PHE 40 1.000 3.777 94.497 14.327 -99.200 -91.000 TRP 51 1.040 -4.881 88.968 13.655 -99.200 -91.000 TRP6 51 1.020 -3.885 86.931 14.324 -99.200 -91.000 HIS 52 0.900 -9.662 90.367 20.089 -99.200 -91.000 PHE 59 1.000 7.262 103.235 8.213 -99.200 -91.000 TRP 67 1.040 15.825 89.682 6.525 -99.200 -91.000 TRP6 67 1.020 16.869 88.277 4.934 -99.200 -91.000 TRP 71 1.040 3.859 82.139 2.103 -99.200 -91.000 TRP6 71 1.020 4.105 80.021 3.115 -99.200 -91.000 TYR 90 0.840 -3.011 94.965 5.487 -99.200 -91.000 TYR 110 0.840 -2.225 91.648 -0.510 -99.200 -91.000 TYR 114 0.840 -0.015 102.457 9.767 -99.200 -91.000 TYR 123 0.840 -0.617 90.176 13.688 -99.200 -91.000 TYR 139 0.840 12.821 90.696 10.202 -99.200 -91.000 TYR 151 0.840 -7.525 90.305 23.728 -99.200 -91.000