============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 3 0.840 54.325 -0.840 30.888 -99.200 -91.000 HIS 9 0.900 43.987 7.756 28.345 -99.200 -91.000 TYR 19 0.840 47.821 14.729 51.744 -99.200 -91.000 TRP 51 1.040 40.284 6.601 36.922 -99.200 -91.000 TRP6 51 1.020 38.820 4.770 37.162 -99.200 -91.000 HIS 54 0.900 40.665 11.973 32.074 -99.200 -91.000 PHE 58 1.000 32.119 5.953 32.574 -99.200 -91.000 TRP 74 1.040 28.942 3.536 45.252 -99.200 -91.000 TRP6 74 1.020 29.141 4.296 47.480 -99.200 -91.000 TYR 84 0.840 48.861 0.209 44.216 -99.200 -91.000 PHE 89 1.000 51.876 1.700 54.950 -99.200 -91.000 TYR 95 0.840 40.218 3.444 55.288 -99.200 -91.000 TYR 99 0.840 41.533 8.590 59.533 -99.200 -91.000 TYR 125 0.840 44.065 -7.473 44.698 -99.200 -91.000 PHE 135 1.000 44.640 1.009 42.407 -99.200 -91.000 HIS 150 0.900 18.271 -0.792 37.787 -99.200 -91.000 HIS 165 0.900 39.456 -10.543 29.652 -99.200 -91.000 TYR 171 0.840 51.455 -4.834 33.259 -99.200 -91.000 HIS 176 0.900 54.046 -9.988 36.178 -99.200 -91.000 HIS 203 0.900 29.624 -1.048 59.829 -99.200 -91.000 PHE 204 1.000 26.875 5.733 54.538 -99.200 -91.000 TYR 205 0.840 22.289 3.358 52.106 -99.200 -91.000 HIS 216 0.900 31.045 12.597 68.269 -99.200 -91.000 PHE 219 1.000 25.696 12.622 73.532 -99.200 -91.000