============================================================================= 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. TRP 4 1.040 12.639 11.874 59.187 -99.200 -91.000 TRP6 4 1.020 10.462 11.915 60.094 -99.200 -91.000 HIS 14 0.900 -1.127 4.831 57.613 -99.200 -91.000 TYR 21 0.840 -11.368 17.604 57.298 -99.200 -91.000 PHE 29 1.000 5.546 35.985 57.997 -99.200 -91.000 PHE 44 1.000 6.164 13.829 57.556 -99.200 -91.000 PHE 59 1.000 12.956 9.826 49.540 -99.200 -91.000 PHE 76 1.000 13.024 26.815 38.631 -99.200 -91.000 HIS 77 0.900 8.577 31.306 44.926 -99.200 -91.000 PHE 90 1.000 7.885 45.117 35.494 -99.200 -91.000 PHE 93 1.000 11.005 40.507 26.303 -99.200 -91.000 TYR 95 0.840 -0.087 44.778 29.926 -99.200 -91.000 PHE 106 1.000 0.692 39.552 37.330 -99.200 -91.000 HIS 125 0.900 23.607 20.897 30.214 -99.200 -91.000 TYR 132 0.840 17.403 30.867 23.668 -99.200 -91.000 TYR 133 0.840 11.375 38.895 21.311 -99.200 -91.000 TYR 137 0.840 21.019 33.429 27.554 -99.200 -91.000 TRP 141 1.040 15.040 30.719 36.556 -99.200 -91.000 TRP6 141 1.020 14.540 32.137 34.743 -99.200 -91.000 PHE 155 1.000 -1.873 14.974 46.030 -99.200 -91.000 PHE 169 1.000 -5.040 23.535 55.283 -99.200 -91.000 HIS 170 0.900 -8.597 13.534 57.190 -99.200 -91.000 PHE 171 1.000 -1.694 17.669 55.627 -99.200 -91.000 TYR 175 0.840 -0.302 9.126 45.496 -99.200 -91.000 HIS 209 0.900 5.108 41.849 45.120 -99.200 -91.000 HIS 214 0.900 5.978 30.692 41.597 -99.200 -91.000 TYR 226 0.840 9.149 12.879 40.451 -99.200 -91.000