============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 5 1.000 18.746 8.772 0.629 -99.200 -91.000 TRP 6 1.040 15.140 6.209 -2.450 -99.200 -91.000 TRP6 6 1.020 14.063 6.888 -0.464 -99.200 -91.000 HIS 15 0.900 11.420 -9.396 -5.966 -99.200 -91.000 TYR 20 0.840 18.870 -3.690 -6.915 -99.200 -91.000 TYR 21 0.840 12.869 -9.192 -1.862 -99.200 -91.000 HIS 29 0.900 -7.047 -13.722 10.959 -99.200 -91.000 HIS 40 0.900 2.092 -14.882 7.287 -99.200 -91.000 TYR 42 0.840 -1.075 -7.013 6.373 -99.200 -91.000 TYR 46 0.840 9.775 0.056 2.630 -99.200 -91.000 PHE 47 1.000 10.127 -4.042 -7.596 -99.200 -91.000 HIS 56 0.900 13.700 -10.342 -16.130 -99.200 -91.000 HIS 58 0.900 6.011 -11.453 -11.192 -99.200 -91.000 TRP 66 1.040 2.395 -3.523 -8.128 -99.200 -91.000 TRP6 66 1.020 4.703 -3.797 -8.509 -99.200 -91.000 TYR 68 0.840 5.966 8.044 -7.198 -99.200 -91.000 HIS 69 0.900 6.231 4.347 -0.701 -99.200 -91.000 HIS 77 0.900 6.138 -3.389 -19.280 -99.200 -91.000 TYR 92 0.840 -3.472 -15.242 -18.613 -99.200 -91.000 TYR 95 0.840 1.015 -4.784 -22.319 -99.200 -91.000 TYR 112 0.840 -3.203 -1.352 -12.065 -99.200 -91.000 PHE 120 1.000 2.244 -9.056 -11.433 -99.200 -91.000 TYR 135 0.840 15.142 6.395 -7.248 -99.200 -91.000 PHE 146 1.000 5.817 -13.987 -2.829 -99.200 -91.000 TYR 148 0.840 8.337 -21.504 -0.937 -99.200 -91.000 PHE 151 1.000 8.192 -15.858 -8.673 -99.200 -91.000 PHE 154 1.000 4.339 -17.414 -16.681 -99.200 -91.000 TYR 163 0.840 -1.253 -17.049 -22.502 -99.200 -91.000 HIS 166 0.900 -0.987 -10.328 -25.134 -99.200 -91.000 TYR 175 0.840 14.519 -14.060 -15.839 -99.200 -91.000