============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 -3.799 39.981 43.186 -99.200 -91.000 TRP6 12 1.020 -4.741 40.109 45.360 -99.200 -91.000 TYR 20 0.840 0.907 21.220 29.036 -99.200 -91.000 TRP 26 1.040 8.502 26.019 28.029 -99.200 -91.000 TRP6 26 1.020 8.780 24.372 29.698 -99.200 -91.000 HIS 28 0.900 -1.726 29.123 33.415 -99.200 -91.000 TRP 39 1.040 10.503 24.000 49.468 -99.200 -91.000 TRP6 39 1.020 9.886 21.786 48.921 -99.200 -91.000 HIS 45 0.900 -7.201 16.687 38.512 -99.200 -91.000 PHE 53 1.000 3.786 19.350 35.473 -99.200 -91.000 HIS 60 0.900 -0.554 41.823 34.444 -99.200 -91.000 TYR 71 0.840 10.264 32.763 31.547 -99.200 -91.000 HIS 80 0.900 -1.730 14.847 52.628 -99.200 -91.000 TYR 82 0.840 -4.228 9.426 54.571 -99.200 -91.000 TRP 83 1.040 -4.158 13.636 44.374 -99.200 -91.000 TRP6 83 1.020 -6.184 14.832 44.221 -99.200 -91.000 TYR 91 0.840 -6.687 13.725 52.830 -99.200 -91.000 TYR 107 0.840 7.367 44.097 38.921 -99.200 -91.000 TYR 127 0.840 -10.544 41.211 45.714 -99.200 -91.000 TRP 131 1.040 -2.093 34.668 33.763 -99.200 -91.000 TRP6 131 1.020 -0.687 34.234 35.597 -99.200 -91.000 TYR 148 0.840 -15.624 40.898 47.589 -99.200 -91.000 TYR 154 0.840 -18.764 21.294 56.980 -99.200 -91.000 TYR 160 0.840 -25.343 27.271 49.040 -99.200 -91.000 TRP 161 1.040 -19.917 22.873 45.874 -99.200 -91.000 TRP6 161 1.020 -19.434 21.604 43.949 -99.200 -91.000 HIS 190 0.900 -4.075 36.215 46.564 -99.200 -91.000 TYR 197 0.840 -6.096 41.604 50.631 -99.200 -91.000 HIS 200 0.900 -7.276 32.568 55.571 -99.200 -91.000 PHE 205 1.000 -14.522 20.311 44.545 -99.200 -91.000 PHE 220 1.000 -11.129 28.886 46.270 -99.200 -91.000 TYR 226 0.840 -4.416 19.844 53.817 -99.200 -91.000 TRP 229 1.040 1.841 17.040 53.945 -99.200 -91.000 TRP6 229 1.020 1.841 18.278 51.931 -99.200 -91.000