============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 6 0.840 36.722 69.636 90.452 -99.200 -91.000 HIS 8 0.900 47.784 66.848 88.836 -99.200 -91.000 TRP 46 1.040 34.508 90.822 84.410 -99.200 -91.000 TRP6 46 1.020 36.549 90.350 83.460 -99.200 -91.000 PHE 55 1.000 24.589 80.350 91.067 -99.200 -91.000 PHE 57 1.000 27.037 84.851 86.437 -99.200 -91.000 PHE 73 1.000 41.991 76.376 109.291 -99.200 -91.000 HIS 78 0.900 35.657 72.515 100.393 -99.200 -91.000 TYR 91 0.840 36.218 87.266 106.429 -99.200 -91.000 TRP 113 1.040 49.063 83.885 88.978 -99.200 -91.000 TRP6 113 1.020 49.555 83.158 86.843 -99.200 -91.000 TRP 119 1.040 38.083 71.741 94.153 -99.200 -91.000 TRP6 119 1.020 37.033 70.766 95.952 -99.200 -91.000 HIS 121 0.900 29.229 74.337 100.321 -99.200 -91.000 TYR 133 0.840 41.468 80.267 95.372 -99.200 -91.000 PHE 138 1.000 52.670 69.582 92.646 -99.200 -91.000 TYR 139 0.840 50.181 71.685 88.727 -99.200 -91.000 TRP 142 1.040 51.978 70.450 81.602 -99.200 -91.000 TRP6 142 1.020 50.268 71.987 81.448 -99.200 -91.000