============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TRP 9 1.040 48.209 74.863 3.655 -99.200 -91.000 TRP6 9 1.020 47.610 76.330 5.400 -99.200 -91.000 PHE 16 1.000 48.352 79.943 10.291 -99.200 -91.000 TRP 17 1.040 55.690 80.420 13.263 -99.200 -91.000 TRP6 17 1.020 55.971 78.518 11.886 -99.200 -91.000 PHE 34 1.000 44.286 71.710 20.839 -99.200 -91.000 PHE 53 1.000 54.506 80.783 18.733 -99.200 -91.000 PHE 68 1.000 53.330 62.009 11.534 -99.200 -91.000 PHE 70 1.000 48.593 69.304 2.851 -99.200 -91.000 HIS 104 0.900 55.661 54.726 16.797 -99.200 -91.000 PHE 105 1.000 52.903 59.270 16.875 -99.200 -91.000 PHE 107 1.000 47.386 62.121 25.453 -99.200 -91.000 PHE 117 1.000 41.407 67.755 6.571 -99.200 -91.000 PHE 145 1.000 27.738 79.993 6.796 -99.200 -91.000 TYR 146 0.840 36.827 79.808 9.128 -99.200 -91.000 TYR 155 0.840 30.882 91.795 -0.648 -99.200 -91.000 PHE 165 1.000 30.831 81.924 -4.556 -99.200 -91.000 PHE 166 1.000 27.263 77.871 0.770 -99.200 -91.000 PHE 173 1.000 31.326 79.500 1.544 -99.200 -91.000 HIS 174 0.900 36.125 75.116 -6.496 -99.200 -91.000 PHE 175 1.000 37.463 78.906 0.381 -99.200 -91.000 HIS 189 0.900 45.339 84.571 8.578 -99.200 -91.000 TRP 200 1.040 46.588 80.010 2.563 -99.200 -91.000 TRP6 200 1.020 45.496 81.010 4.395 -99.200 -91.000 TYR 201 0.840 40.597 82.382 2.073 -99.200 -91.000 PHE 210 1.000 33.258 70.268 8.997 -99.200 -91.000 HIS 221 0.900 29.742 58.884 6.834 -99.200 -91.000 TYR 229 0.840 30.256 50.238 15.832 -99.200 -91.000 TYR 246 0.840 33.981 68.599 18.506 -99.200 -91.000 PHE 248 1.000 38.125 62.146 17.383 -99.200 -91.000