============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 3 1.000 13.693 42.962 49.342 -99.200 -91.000 HIS 15 0.900 4.420 39.428 49.534 -99.200 -91.000 TYR 20 0.840 1.974 30.897 57.862 -99.200 -91.000 TYR 23 0.840 8.449 29.859 64.216 -99.200 -91.000 TRP 28 1.040 8.751 34.719 59.477 -99.200 -91.000 TRP6 28 1.020 8.981 32.642 58.365 -99.200 -91.000 PHE 34 1.000 22.784 36.741 61.196 -99.200 -91.000 PHE 38 1.000 18.577 41.735 55.589 -99.200 -91.000 TYR 53 0.840 18.087 27.117 43.189 -99.200 -91.000 TRP 62 1.040 13.271 17.151 50.773 -99.200 -91.000 TRP6 62 1.020 12.150 15.103 50.420 -99.200 -91.000 TRP 63 1.040 11.481 22.456 50.814 -99.200 -91.000 TRP6 63 1.020 9.423 21.866 51.807 -99.200 -91.000 TRP 108 1.040 14.777 28.803 56.210 -99.200 -91.000 TRP6 108 1.020 12.487 28.533 56.645 -99.200 -91.000 TRP 111 1.040 15.185 31.422 63.260 -99.200 -91.000 TRP6 111 1.020 14.630 29.631 64.699 -99.200 -91.000 TRP 123 1.040 17.672 40.486 63.735 -99.200 -91.000 TRP6 123 1.020 19.453 41.153 62.337 -99.200 -91.000