============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 22.983 0.884 90.000 -99.200 -91.000 TRP6 9 1.020 22.742 -0.720 91.741 -99.200 -91.000 TYR 10 0.840 25.767 -3.404 83.789 -99.200 -91.000 PHE 17 1.000 19.656 3.803 87.375 -99.200 -91.000 TYR 31 0.840 17.041 3.004 80.633 -99.200 -91.000 TYR 42 0.840 16.528 8.205 74.740 -99.200 -91.000 TYR 48 0.840 20.104 9.502 97.465 -99.200 -91.000 TRP 63 1.040 15.393 6.134 86.931 -99.200 -91.000 TRP6 63 1.020 15.703 4.288 88.372 -99.200 -91.000 TRP 67 1.040 11.421 6.889 77.293 -99.200 -91.000 TRP6 67 1.020 13.465 5.775 77.744 -99.200 -91.000 TYR 71 0.840 22.208 10.994 67.989 -99.200 -91.000 HIS 75 0.900 6.748 13.238 70.050 -99.200 -91.000 TRP 80 1.040 12.558 2.291 85.560 -99.200 -91.000 TRP6 80 1.020 13.093 3.789 83.800 -99.200 -91.000 TYR 84 0.840 21.460 0.456 97.623 -99.200 -91.000 TRP 96 1.040 9.020 -0.602 83.878 -99.200 -91.000 TRP6 96 1.020 7.491 -0.680 82.051 -99.200 -91.000 TRP 108 1.040 -8.263 3.839 74.426 -99.200 -91.000 TRP6 108 1.020 -7.132 1.859 73.722 -99.200 -91.000 HIS 115 0.900 8.054 -7.096 86.785 -99.200 -91.000 PHE 118 1.000 17.263 -0.867 86.460 -99.200 -91.000