============================================================================= 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 -3.626 40.205 43.154 -99.200 -91.000 TRP6 12 1.020 -4.527 40.345 45.381 -99.200 -91.000 TYR 20 0.840 1.092 20.972 29.206 -99.200 -91.000 TRP 26 1.040 8.822 25.834 28.288 -99.200 -91.000 TRP6 26 1.020 8.980 24.098 29.953 -99.200 -91.000 HIS 28 0.900 -1.614 29.123 33.393 -99.200 -91.000 TRP 39 1.040 10.470 23.881 49.686 -99.200 -91.000 TRP6 39 1.020 9.898 21.644 49.139 -99.200 -91.000 HIS 45 0.900 -6.936 19.873 40.050 -99.200 -91.000 PHE 53 1.000 3.798 19.408 35.512 -99.200 -91.000 HIS 60 0.900 0.112 42.033 34.472 -99.200 -91.000 TYR 71 0.840 10.599 32.693 31.578 -99.200 -91.000 HIS 80 0.900 -2.182 15.117 52.402 -99.200 -91.000 TYR 82 0.840 -4.521 10.072 54.510 -99.200 -91.000 TRP 83 1.040 -4.301 13.836 44.152 -99.200 -91.000 TRP6 83 1.020 -6.382 14.985 44.062 -99.200 -91.000 TYR 91 0.840 -6.955 14.190 52.696 -99.200 -91.000 TYR 107 0.840 7.827 44.152 39.143 -99.200 -91.000 TYR 127 0.840 -10.173 41.504 45.454 -99.200 -91.000 TRP 131 1.040 -1.785 34.891 33.722 -99.200 -91.000 TRP6 131 1.020 -0.395 34.336 35.612 -99.200 -91.000 TYR 148 0.840 -15.248 41.443 47.267 -99.200 -91.000 TYR 154 0.840 -18.944 21.820 56.380 -99.200 -91.000 TYR 160 0.840 -25.354 28.146 48.603 -99.200 -91.000 TRP 161 1.040 -20.120 23.521 45.472 -99.200 -91.000 TRP6 161 1.020 -19.649 22.098 43.604 -99.200 -91.000 HIS 190 0.900 -3.896 36.235 46.456 -99.200 -91.000 TYR 197 0.840 -5.775 41.592 50.287 -99.200 -91.000 HIS 200 0.900 -7.261 32.578 55.429 -99.200 -91.000 PHE 205 1.000 -14.683 20.612 44.112 -99.200 -91.000 PHE 220 1.000 -11.101 29.221 46.047 -99.200 -91.000 TYR 226 0.840 -4.738 19.946 53.612 -99.200 -91.000 TRP 229 1.040 1.541 16.924 53.936 -99.200 -91.000 TRP6 229 1.020 1.614 18.134 51.838 -99.200 -91.000