============================================================================= 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 41.788 -3.948 14.727 -99.200 -91.000 TYR 21 0.840 22.041 1.518 -2.627 -99.200 -91.000 TRP 31 1.040 30.461 10.248 1.295 -99.200 -91.000 TRP6 31 1.020 29.677 11.263 -0.696 -99.200 -91.000 TRP 41 1.040 35.816 -0.133 5.854 -99.200 -91.000 TRP6 41 1.020 35.032 -1.696 4.271 -99.200 -91.000 PHE 43 1.000 40.960 -3.353 9.362 -99.200 -91.000 PHE 70 1.000 30.042 -11.573 -4.137 -99.200 -91.000 TRP 82 1.040 41.205 -7.525 1.405 -99.200 -91.000 TRP6 82 1.020 41.771 -6.413 -0.590 -99.200 -91.000 TYR 117 0.840 56.616 0.359 -2.510 -99.200 -91.000 TRP 123 1.040 44.814 2.824 1.004 -99.200 -91.000 TRP6 123 1.020 42.858 3.934 0.277 -99.200 -91.000 TYR 139 0.840 72.012 18.205 12.947 -99.200 -91.000 TRP 154 1.040 64.450 26.781 5.100 -99.200 -91.000 TRP6 154 1.020 63.984 27.400 2.887 -99.200 -91.000 TRP 167 1.040 55.466 20.062 9.017 -99.200 -91.000 TRP6 167 1.020 55.768 20.617 6.726 -99.200 -91.000 TYR 170 0.840 45.262 15.682 4.768 -99.200 -91.000 TYR 190 0.840 60.505 8.790 -7.379 -99.200 -91.000 TRP 209 1.040 57.058 12.066 2.327 -99.200 -91.000 TRP6 209 1.020 59.353 11.977 1.885 -99.200 -91.000 PHE 210 1.000 56.874 3.011 7.845 -99.200 -91.000 PHE 211 1.000 56.240 10.860 10.097 -99.200 -91.000 PHE 241 1.000 73.285 10.397 1.807 -99.200 -91.000 TRP 251 1.040 63.661 13.453 10.278 -99.200 -91.000 TRP6 251 1.020 63.902 15.718 9.817 -99.200 -91.000