============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 27 1.000 -4.271 7.238 8.705 -99.200 -91.000 PHE 29 1.000 -1.549 2.683 12.458 -99.200 -91.000 TYR 32 0.840 -2.565 5.421 4.087 -99.200 -91.000 TYR 33 0.840 5.345 0.982 3.024 -99.200 -91.000 TRP 36 1.040 8.057 7.360 14.560 -99.200 -91.000 TRP6 36 1.020 6.978 8.930 15.955 -99.200 -91.000 TRP 47 1.040 12.496 8.275 6.521 -99.200 -91.000 TRP6 47 1.020 13.764 6.288 6.449 -99.200 -91.000 PHE 50 1.000 9.947 2.528 5.213 -99.200 -91.000 TYR 58 0.840 1.367 -4.670 10.286 -99.200 -91.000 TYR 62 0.840 14.466 0.936 12.593 -99.200 -91.000 PHE 70 1.000 16.664 7.510 18.023 -99.200 -91.000 TYR 82 0.840 3.089 2.741 20.837 -99.200 -91.000 TYR 96 0.840 12.959 12.908 17.909 -99.200 -91.000 TYR 97 0.840 7.706 17.916 12.875 -99.200 -91.000 TYR 106 0.840 -8.269 -0.906 -0.589 -99.200 -91.000 TYR 109 0.840 2.596 4.043 -4.635 -99.200 -91.000 PHE 112 1.000 7.205 10.840 4.429 -99.200 -91.000 TYR 114 0.840 -3.737 13.824 5.438 -99.200 -91.000 TRP 115 1.040 4.366 15.915 7.122 -99.200 -91.000 TRP6 115 1.020 6.687 15.669 7.483 -99.200 -91.000 TYR 134 0.840 8.404 37.902 36.646 -99.200 -91.000 TYR 152 0.840 10.875 29.073 28.825 -99.200 -91.000 PHE 153 1.000 16.745 23.124 30.182 -99.200 -91.000 TRP 161 1.040 -0.745 37.832 23.743 -99.200 -91.000 TRP6 161 1.020 -0.352 39.221 25.610 -99.200 -91.000 TYR 163 0.840 -8.323 32.314 28.802 -99.200 -91.000 PHE 181 1.000 17.157 27.992 35.275 -99.200 -91.000 TYR 182 0.840 16.120 27.423 26.212 -99.200 -91.000 TRP 195 1.040 -5.121 46.906 29.040 -99.200 -91.000 TRP6 195 1.020 -3.461 48.465 29.653 -99.200 -91.000 HIS 206 0.900 8.011 24.491 30.880 -99.200 -91.000