============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. HIS 11 0.900 72.458 18.612 64.977 -99.200 -91.000 TYR 43 0.840 57.935 0.730 80.003 -99.200 -91.000 PHE 74 1.000 65.598 9.970 70.855 -99.200 -91.000 HIS 75 0.900 71.340 13.852 64.986 -99.200 -91.000 TRP 98 1.040 67.725 -2.942 69.415 -99.200 -91.000 TRP6 98 1.020 66.079 -2.103 70.868 -99.200 -91.000 TRP 112 1.040 54.810 11.784 60.717 -99.200 -91.000 TRP6 112 1.020 56.083 12.241 62.677 -99.200 -91.000 PHE 120 1.000 69.716 -0.593 58.387 -99.200 -91.000 HIS 128 0.900 73.135 12.475 60.718 -99.200 -91.000 TYR 133 0.840 75.216 8.058 68.941 -99.200 -91.000 PHE 141 1.000 63.688 6.856 65.706 -99.200 -91.000 PHE 144 1.000 60.035 15.797 63.907 -99.200 -91.000 PHE 145 1.000 62.859 14.524 55.716 -99.200 -91.000 PHE 155 1.000 58.551 16.110 68.310 -99.200 -91.000 TRP 160 1.040 54.961 15.939 76.650 -99.200 -91.000 TRP6 160 1.020 56.412 15.538 78.476 -99.200 -91.000