============================================================================= 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. TRP 6 1.040 17.770 44.024 9.497 -99.200 -91.000 TRP6 6 1.020 18.779 44.843 11.477 -99.200 -91.000 PHE 20 1.000 6.352 26.556 11.056 -99.200 -91.000 TYR 31 0.840 26.516 43.565 8.334 -99.200 -91.000 PHE 41 1.000 17.128 39.750 15.773 -99.200 -91.000 HIS 42 0.900 25.520 41.997 18.199 -99.200 -91.000 TYR 49 0.840 12.094 37.093 23.914 -99.200 -91.000 PHE 69 1.000 21.854 39.735 5.215 -99.200 -91.000 TYR 70 0.840 22.549 34.723 10.905 -99.200 -91.000 TYR 82 0.840 22.344 28.620 9.406 -99.200 -91.000 HIS 90 0.900 16.502 35.273 -11.721 -99.200 -91.000 PHE 102 1.000 9.463 26.083 5.825 -99.200 -91.000 PHE 109 1.000 14.718 19.397 13.538 -99.200 -91.000 HIS 116 0.900 17.244 34.663 8.775 -99.200 -91.000 HIS 119 0.900 13.783 43.594 4.117 -99.200 -91.000 PHE 121 1.000 7.450 42.076 7.587 -99.200 -91.000 PHE 126 1.000 4.768 31.006 -1.547 -99.200 -91.000 PHE 131 1.000 4.949 22.346 8.468 -99.200 -91.000 TRP 138 1.040 -3.512 25.919 10.423 -99.200 -91.000 TRP6 138 1.020 -3.366 28.140 11.211 -99.200 -91.000 PHE 147 1.000 3.899 35.837 8.020 -99.200 -91.000 TYR 156 0.840 6.263 43.617 2.127 -99.200 -91.000 TYR 160 0.840 6.703 36.162 -2.651 -99.200 -91.000 PHE 165 1.000 -6.177 33.256 -1.034 -99.200 -91.000 TYR 168 0.840 -0.700 25.631 -0.798 -99.200 -91.000 TRP 183 1.040 6.822 49.915 10.424 -99.200 -91.000 TRP6 183 1.020 8.099 48.262 9.325 -99.200 -91.000 PHE 185 1.000 7.621 52.295 1.374 -99.200 -91.000