============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 27 1.000 -47.652 77.225 117.507 -99.200 -91.000 PHE 29 1.000 -43.152 79.662 113.183 -99.200 -91.000 TRP 33 1.040 -35.716 78.038 121.439 -99.200 -91.000 TRP6 33 1.020 -33.810 76.996 122.377 -99.200 -91.000 TRP 36 1.040 -37.399 70.963 109.931 -99.200 -91.000 TRP6 36 1.020 -39.315 70.231 108.757 -99.200 -91.000 TRP 47 1.040 -33.207 67.538 117.353 -99.200 -91.000 TRP6 47 1.020 -31.035 68.448 117.156 -99.200 -91.000 TYR 62 0.840 -28.309 72.715 110.706 -99.200 -91.000 PHE 70 1.000 -30.862 66.797 105.473 -99.200 -91.000 TYR 82 0.840 -39.613 78.179 104.343 -99.200 -91.000 TYR 96 0.840 -36.656 63.838 106.727 -99.200 -91.000 PHE 103 1.000 -42.990 77.498 128.887 -99.200 -91.000 TYR 113 0.840 -36.359 75.530 139.609 -99.200 -91.000 TRP 117 1.040 -44.707 65.645 119.105 -99.200 -91.000 TRP6 117 1.020 -42.877 64.172 118.800 -99.200 -91.000 PHE 136 1.000 -39.693 34.622 90.461 -99.200 -91.000 TYR 159 0.840 -44.894 45.387 95.200 -99.200 -91.000 PHE 160 1.000 -40.926 53.116 93.942 -99.200 -91.000 TRP 168 1.040 -54.494 33.429 96.342 -99.200 -91.000 TRP6 168 1.020 -52.837 31.966 95.514 -99.200 -91.000 HIS 178 0.900 -52.253 36.157 106.831 -99.200 -91.000 PHE 180 1.000 -48.342 36.357 105.714 -99.200 -91.000 TYR 190 0.840 -42.512 49.309 98.949 -99.200 -91.000 TYR 208 0.840 -55.806 25.492 95.388 -99.200 -91.000 HIS 214 0.900 -46.895 47.846 90.489 -99.200 -91.000