============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 10 1.000 9.739 -1.428 19.523 -99.200 -91.000 TYR 14 0.840 4.166 4.803 10.884 -99.200 -91.000 TRP 16 1.040 9.639 5.321 6.994 -99.200 -91.000 TRP6 16 1.020 7.548 5.688 5.974 -99.200 -91.000 HIS 43 0.900 5.300 -6.117 0.966 -99.200 -91.000 TRP 45 1.040 9.756 -6.110 -0.068 -99.200 -91.000 TRP6 45 1.020 8.940 -5.162 1.926 -99.200 -91.000 PHE 51 1.000 19.833 2.971 3.766 -99.200 -91.000 HIS 54 0.900 17.493 7.739 16.289 -99.200 -91.000 HIS 55 0.900 21.981 6.085 21.040 -99.200 -91.000 HIS 56 0.900 17.390 7.597 20.882 -99.200 -91.000 HIS 57 0.900 15.098 -1.723 22.086 -99.200 -91.000 HIS 59 0.900 14.425 5.200 15.502 -99.200 -91.000 HIS 69 0.900 15.203 -14.807 10.985 -99.200 -91.000 PHE 70 1.000 15.920 -11.986 5.372 -99.200 -91.000 TYR 76 0.840 24.982 0.619 3.868 -99.200 -91.000 HIS 88 0.900 29.541 1.328 4.723 -99.200 -91.000 PHE 103 1.000 19.267 4.971 -0.623 -99.200 -91.000 PHE 106 1.000 20.664 15.130 5.442 -99.200 -91.000 HIS 111 0.900 15.822 11.675 18.923 -99.200 -91.000 HIS 115 0.900 18.683 10.999 13.454 -99.200 -91.000 TYR 118 0.840 20.942 6.067 6.292 -99.200 -91.000 PHE 119 1.000 17.534 13.674 -0.940 -99.200 -91.000 TYR 123 0.840 11.574 7.062 -2.049 -99.200 -91.000 PHE 125 1.000 14.123 6.030 3.760 -99.200 -91.000 PHE 131 1.000 9.852 12.589 15.274 -99.200 -91.000 PHE 139 1.000 15.159 11.872 24.142 -99.200 -91.000 TYR 147 0.840 17.556 27.314 13.153 -99.200 -91.000 HIS 166 0.900 9.201 7.306 16.964 -99.200 -91.000 TYR 168 0.840 6.763 10.695 18.222 -99.200 -91.000 PHE 175 1.000 4.740 22.989 20.321 -99.200 -91.000 HIS 182 0.900 -6.886 32.159 15.755 -99.200 -91.000 PHE 185 1.000 -0.338 27.580 4.028 -99.200 -91.000 TYR 189 0.840 -0.136 17.872 8.232 -99.200 -91.000 TYR 190 0.840 -6.204 19.410 15.150 -99.200 -91.000 PHE 217 1.000 9.638 22.307 16.706 -99.200 -91.000 PHE 242 1.000 15.086 23.782 17.056 -99.200 -91.000 TRP 244 1.040 9.989 30.559 23.753 -99.200 -91.000 TRP6 244 1.020 7.942 30.389 22.588 -99.200 -91.000 PHE 252 1.000 0.707 21.113 23.442 -99.200 -91.000