============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 2 1.000 34.034 11.913 -33.435 -99.200 -91.000 TYR 8 0.840 37.546 15.456 -35.984 -99.200 -91.000 TYR 13 0.840 29.778 24.374 -23.573 -99.200 -91.000 TRP 23 1.040 53.566 23.553 -22.048 -99.200 -91.000 TRP6 23 1.020 51.797 25.116 -22.312 -99.200 -91.000 TYR 36 0.840 49.927 28.199 -26.434 -99.200 -91.000 TRP 48 1.040 44.993 16.944 -30.440 -99.200 -91.000 TRP6 48 1.020 46.534 15.829 -29.037 -99.200 -91.000 TYR 62 0.840 36.565 7.070 -32.457 -99.200 -91.000 HIS 68 0.900 55.823 18.312 -34.339 -99.200 -91.000 TYR 71 0.840 55.769 9.768 -29.196 -99.200 -91.000 PHE 72 1.000 49.416 5.739 -30.204 -99.200 -91.000 HIS 80 0.900 47.203 12.404 -10.338 -99.200 -91.000 TRP 96 1.040 41.531 8.869 -25.088 -99.200 -91.000 TRP6 96 1.020 41.360 9.885 -22.979 -99.200 -91.000 PHE 105 1.000 30.477 15.417 -30.394 -99.200 -91.000 TYR 122 0.840 34.264 23.695 -13.155 -99.200 -91.000 HIS 125 0.900 41.679 33.600 -18.249 -99.200 -91.000 TRP 143 1.040 36.560 18.126 -23.909 -99.200 -91.000 TRP6 143 1.020 38.554 19.361 -23.703 -99.200 -91.000 TYR 144 0.840 32.034 23.943 -28.881 -99.200 -91.000 PHE 145 1.000 36.196 15.608 -30.773 -99.200 -91.000