============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 8 1.000 -15.785 60.599 122.902 -99.200 -91.000 PHE 16 1.000 -21.428 58.881 121.610 -99.200 -91.000 HIS 20 0.900 -25.744 57.771 118.409 -99.200 -91.000 HIS 40 0.900 -10.202 64.747 112.809 -99.200 -91.000 TYR 44 0.840 -12.734 61.663 109.156 -99.200 -91.000 TYR 48 0.840 -13.144 49.218 116.301 -99.200 -91.000 HIS 49 0.900 -11.439 51.655 108.512 -99.200 -91.000 PHE 51 1.000 -21.046 58.093 115.152 -99.200 -91.000 TYR 57 0.840 -16.036 71.498 116.303 -99.200 -91.000 TYR 61 0.840 -24.410 71.923 124.557 -99.200 -91.000 TYR 63 0.840 -24.399 70.653 118.670 -99.200 -91.000 TRP 82 1.040 -19.962 63.232 136.613 -99.200 -91.000 TRP6 82 1.020 -19.516 62.722 134.348 -99.200 -91.000 PHE 97 1.000 -9.189 60.670 137.616 -99.200 -91.000 HIS 106 0.900 -16.088 60.430 137.850 -99.200 -91.000 HIS 133 0.900 -24.865 38.372 134.358 -99.200 -91.000 TYR 136 0.840 -25.302 46.322 140.296 -99.200 -91.000 HIS 141 0.900 -22.226 44.842 145.072 -99.200 -91.000 HIS 142 0.900 -24.010 52.360 145.990 -99.200 -91.000 PHE 164 1.000 -14.038 19.175 130.314 -99.200 -91.000 HIS 175 0.900 -3.861 43.175 124.925 -99.200 -91.000 TYR 177 0.840 0.545 48.824 118.303 -99.200 -91.000 HIS 188 0.900 5.418 52.573 130.706 -99.200 -91.000 PHE 223 1.000 -6.150 31.579 135.016 -99.200 -91.000 TYR 271 0.840 -16.655 25.437 119.035 -99.200 -91.000 HIS 286 0.900 -19.662 36.554 120.325 -99.200 -91.000 PHE 305 1.000 -3.559 28.780 121.476 -99.200 -91.000 TRP 307 1.040 -8.695 34.091 117.576 -99.200 -91.000 TRP6 307 1.020 -6.772 35.189 116.754 -99.200 -91.000 TYR 308 0.840 -8.478 39.234 124.710 -99.200 -91.000 TRP 312 1.040 -17.301 46.399 118.443 -99.200 -91.000 TRP6 312 1.020 -17.711 48.695 118.052 -99.200 -91.000 TYR 314 0.840 -13.303 46.288 129.147 -99.200 -91.000