============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 9 0.840 11.061 121.723 87.738 -99.200 -91.000 PHE 19 1.000 12.246 131.552 86.534 -99.200 -91.000 TYR 35 0.840 13.176 137.344 87.546 -99.200 -91.000 TYR 37 0.840 13.846 130.325 79.177 -99.200 -91.000 TYR 38 0.840 18.263 122.990 79.973 -99.200 -91.000 PHE 46 1.000 22.048 124.892 82.076 -99.200 -91.000 TYR 52 0.840 34.197 116.630 80.458 -99.200 -91.000 HIS 53 0.900 32.530 124.466 87.450 -99.200 -91.000 TYR 54 0.840 36.312 117.358 86.757 -99.200 -91.000 PHE 66 1.000 15.305 139.688 83.805 -99.200 -91.000 HIS 82 0.900 43.087 114.328 77.283 -99.200 -91.000 TYR 89 0.840 47.163 106.659 77.252 -99.200 -91.000 PHE 91 1.000 51.448 107.675 79.383 -99.200 -91.000 PHE 94 1.000 44.052 104.583 81.279 -99.200 -91.000 TRP 98 1.040 51.350 103.559 83.600 -99.200 -91.000 TRP6 98 1.020 50.160 103.228 81.600 -99.200 -91.000 HIS 101 0.900 54.503 108.703 85.363 -99.200 -91.000 TRP 121 1.040 17.531 132.228 72.138 -99.200 -91.000 TRP6 121 1.020 16.775 132.803 69.977 -99.200 -91.000 TYR 153 0.840 22.507 144.351 73.818 -99.200 -91.000 PHE 168 1.000 18.937 145.584 69.249 -99.200 -91.000 TRP 181 1.040 16.990 145.505 80.080 -99.200 -91.000 TRP6 181 1.020 16.107 143.416 80.740 -99.200 -91.000 TRP 182 1.040 21.482 143.532 82.872 -99.200 -91.000 TRP6 182 1.020 21.515 144.036 80.562 -99.200 -91.000 TRP 184 1.040 16.966 149.467 86.156 -99.200 -91.000 TRP6 184 1.020 15.693 149.991 84.235 -99.200 -91.000