============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 10 0.840 -8.036 23.455 52.848 -99.200 -91.000 PHE 15 1.000 -1.379 28.419 53.379 -99.200 -91.000 TYR 21 0.840 -8.548 30.496 60.726 -99.200 -91.000 TRP 22 1.040 -3.837 25.411 66.804 -99.200 -91.000 TRP6 22 1.020 -1.621 24.868 67.365 -99.200 -91.000 TYR 34 0.840 6.180 22.517 59.168 -99.200 -91.000 PHE 42 1.000 9.921 30.017 62.628 -99.200 -91.000 TRP 43 1.040 15.488 30.157 57.010 -99.200 -91.000 TRP6 43 1.020 16.220 32.252 57.781 -99.200 -91.000 HIS 52 0.900 10.891 -0.350 65.856 -99.200 -91.000 TYR 60 0.840 16.299 14.301 55.748 -99.200 -91.000 PHE 63 1.000 13.732 26.477 55.006 -99.200 -91.000 PHE 69 1.000 20.050 17.766 58.994 -99.200 -91.000 TRP 78 1.040 5.820 6.950 61.340 -99.200 -91.000 TRP6 78 1.020 6.937 7.519 59.335 -99.200 -91.000 PHE 80 1.000 5.882 12.993 62.260 -99.200 -91.000 PHE 81 1.000 13.945 13.426 65.101 -99.200 -91.000 PHE 84 1.000 15.013 28.673 64.973 -99.200 -91.000 PHE 92 1.000 18.194 24.288 58.667 -99.200 -91.000 TYR 110 0.840 -2.709 34.627 69.304 -99.200 -91.000 TRP 115 1.040 1.658 30.154 69.579 -99.200 -91.000 TRP6 115 1.020 1.742 30.392 71.934 -99.200 -91.000 PHE 117 1.000 -0.702 20.495 69.785 -99.200 -91.000 HIS 118 0.900 7.521 20.100 73.499 -99.200 -91.000 HIS 142 0.900 8.217 19.208 51.283 -99.200 -91.000 PHE 145 1.000 -2.697 22.594 54.306 -99.200 -91.000 TYR 146 0.840 -7.198 16.808 57.465 -99.200 -91.000 TYR 159 0.840 -9.373 15.814 64.761 -99.200 -91.000