============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 1 0.840 -0.931 12.639 43.898 -99.200 -91.000 PHE 9 1.000 4.047 23.755 42.864 -99.200 -91.000 TRP 20 1.040 2.142 37.907 54.636 -99.200 -91.000 TRP6 20 1.020 0.921 39.764 53.814 -99.200 -91.000 TRP 27 1.040 0.038 47.391 53.990 -99.200 -91.000 TRP6 27 1.020 -1.290 45.677 53.023 -99.200 -91.000 TRP 30 1.040 2.485 53.580 53.272 -99.200 -91.000 TRP6 30 1.020 1.061 52.505 51.734 -99.200 -91.000 TYR 34 0.840 -0.595 58.156 58.321 -99.200 -91.000 HIS 41 0.900 -3.482 51.230 53.676 -99.200 -91.000 HIS 42 0.900 -6.245 43.749 51.775 -99.200 -91.000 TRP 45 1.040 -6.156 50.378 47.758 -99.200 -91.000 TRP6 45 1.020 -3.873 50.896 48.077 -99.200 -91.000 TYR 48 0.840 -9.794 55.448 46.844 -99.200 -91.000 PHE 61 1.000 -13.479 41.442 45.772 -99.200 -91.000 HIS 64 0.900 -11.094 33.185 59.244 -99.200 -91.000 PHE 69 1.000 -20.035 43.552 62.398 -99.200 -91.000 PHE 71 1.000 -8.551 43.959 62.556 -99.200 -91.000 TYR 80 0.840 -9.547 56.722 60.555 -99.200 -91.000 PHE 83 1.000 -20.326 48.922 59.708 -99.200 -91.000 TYR 94 0.840 -22.350 49.419 50.113 -99.200 -91.000 PHE 105 1.000 -6.985 54.666 50.060 -99.200 -91.000 TRP 106 1.040 -7.597 60.671 48.584 -99.200 -91.000 TRP6 106 1.020 -9.206 62.421 48.568 -99.200 -91.000 PHE 112 1.000 3.862 53.268 46.698 -99.200 -91.000 PHE 120 1.000 10.253 50.518 42.417 -99.200 -91.000 TYR 127 0.840 10.407 48.843 34.783 -99.200 -91.000 HIS 128 0.900 16.413 48.907 35.694 -99.200 -91.000 PHE 130 1.000 11.781 39.618 30.810 -99.200 -91.000 PHE 133 1.000 7.433 47.862 38.186 -99.200 -91.000 HIS 142 0.900 -7.080 27.612 37.604 -99.200 -91.000 TYR 144 0.840 -7.551 33.108 47.617 -99.200 -91.000 PHE 148 1.000 -8.813 37.195 45.699 -99.200 -91.000 PHE 151 1.000 -5.116 40.653 41.539 -99.200 -91.000