============================================================================= 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. HIS 2 0.900 22.216 -0.766 1.118 -99.200 -91.000 TYR 7 0.840 29.266 -18.060 2.316 -99.200 -91.000 PHE 12 1.000 31.047 -17.872 -2.930 -99.200 -91.000 PHE 27 1.000 34.125 -9.686 10.477 -99.200 -91.000 HIS 28 0.900 37.744 -12.449 17.558 -99.200 -91.000 HIS 30 0.900 27.304 -8.495 15.110 -99.200 -91.000 TYR 32 0.840 33.013 -15.690 10.747 -99.200 -91.000 TRP 46 1.040 28.730 -4.232 2.013 -99.200 -91.000 TRP6 46 1.020 27.806 -4.288 4.188 -99.200 -91.000 TYR 49 0.840 38.328 -0.830 6.924 -99.200 -91.000 TYR 51 0.840 45.911 -6.129 11.941 -99.200 -91.000 TYR 54 0.840 35.005 0.224 11.052 -99.200 -91.000 TYR 59 0.840 41.714 -7.033 2.975 -99.200 -91.000 TYR 66 0.840 34.717 -9.793 -4.341 -99.200 -91.000 PHE 72 1.000 38.537 -11.156 0.361 -99.200 -91.000 HIS 76 0.900 49.107 -13.363 5.365 -99.200 -91.000 PHE 97 1.000 46.518 20.116 -4.568 -99.200 -91.000 PHE 102 1.000 45.242 19.413 0.876 -99.200 -91.000 HIS 105 0.900 54.253 22.058 -11.144 -99.200 -91.000 HIS 107 0.900 49.859 16.421 -11.881 -99.200 -91.000 TRP 134 1.040 37.531 9.758 -6.925 -99.200 -91.000 TRP6 134 1.020 38.517 9.616 -9.065 -99.200 -91.000 TYR 137 0.840 43.011 -0.399 -6.883 -99.200 -91.000 PHE 147 1.000 47.262 2.920 -0.464 -99.200 -91.000 PHE 149 1.000 43.035 8.317 -1.389 -99.200 -91.000 TYR 154 0.840 41.785 11.405 2.376 -99.200 -91.000 TRP 157 1.040 53.913 9.869 4.132 -99.200 -91.000 TRP6 157 1.020 53.993 7.836 5.347 -99.200 -91.000 TRP 160 1.040 47.821 7.813 0.663 -99.200 -91.000 TRP6 160 1.020 48.277 10.096 0.250 -99.200 -91.000