============================================================================= 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. PHE 3 1.000 41.664 -3.857 14.847 -99.200 -91.000 TYR 21 0.840 22.099 1.615 -2.502 -99.200 -91.000 TRP 31 1.040 30.570 10.291 1.241 -99.200 -91.000 TRP6 31 1.020 29.848 11.331 -0.763 -99.200 -91.000 TRP 41 1.040 35.730 -0.026 5.949 -99.200 -91.000 TRP6 41 1.020 34.930 -1.625 4.361 -99.200 -91.000 PHE 43 1.000 40.905 -3.270 9.490 -99.200 -91.000 PHE 70 1.000 30.025 -11.464 -3.965 -99.200 -91.000 TRP 82 1.040 41.151 -7.355 1.578 -99.200 -91.000 TRP6 82 1.020 41.773 -6.335 -0.476 -99.200 -91.000 TYR 117 0.840 56.633 0.372 -2.361 -99.200 -91.000 TRP 123 1.040 44.825 2.714 1.182 -99.200 -91.000 TRP6 123 1.020 42.839 3.804 0.420 -99.200 -91.000 TYR 139 0.840 71.949 18.376 12.792 -99.200 -91.000 TRP 154 1.040 64.280 26.829 5.068 -99.200 -91.000 TRP6 154 1.020 63.768 27.509 2.844 -99.200 -91.000 TRP 167 1.040 55.416 20.024 8.993 -99.200 -91.000 TRP6 167 1.020 55.685 20.598 6.681 -99.200 -91.000 TYR 170 0.840 45.281 15.617 4.730 -99.200 -91.000 TYR 190 0.840 60.415 8.783 -7.303 -99.200 -91.000 TRP 209 1.040 57.040 12.072 2.387 -99.200 -91.000 TRP6 209 1.020 59.356 11.986 1.914 -99.200 -91.000 PHE 210 1.000 57.042 2.997 7.843 -99.200 -91.000 PHE 211 1.000 56.279 10.857 10.099 -99.200 -91.000 PHE 241 1.000 73.332 10.542 1.878 -99.200 -91.000 TRP 251 1.040 63.700 13.507 10.204 -99.200 -91.000 TRP6 251 1.020 63.917 15.813 9.717 -99.200 -91.000