============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 13 1.000 3.859 7.196 19.702 -99.200 -91.000 TYR 20 0.840 0.613 10.452 20.769 -99.200 -91.000 PHE 25 1.000 -0.309 5.761 17.191 -99.200 -91.000 TYR 28 0.840 -3.859 0.624 16.037 -99.200 -91.000 PHE 38 1.000 2.209 1.877 18.380 -99.200 -91.000 TYR 46 0.840 -1.763 -0.696 32.090 -99.200 -91.000 TYR 47 0.840 -3.916 2.561 35.977 -99.200 -91.000 PHE 52 1.000 1.952 10.467 27.399 -99.200 -91.000 PHE 53 1.000 -0.256 5.512 23.199 -99.200 -91.000 PHE 62 1.000 -0.535 0.392 26.456 -99.200 -91.000 TYR 71 0.840 -2.107 -4.424 31.872 -99.200 -91.000 HIS 73 0.900 -6.873 -7.154 21.282 -99.200 -91.000 PHE 78 1.000 5.664 -11.920 33.253 -99.200 -91.000 HIS 79 0.900 0.796 -11.306 37.681 -99.200 -91.000 HIS 85 0.900 10.783 -16.730 52.669 -99.200 -91.000 PHE 98 1.000 8.784 0.354 52.720 -99.200 -91.000 TYR 107 0.840 -1.209 -2.136 48.097 -99.200 -91.000 PHE 116 1.000 7.276 8.648 51.066 -99.200 -91.000 HIS 122 0.900 5.347 11.784 42.587 -99.200 -91.000 TYR 123 0.840 3.734 5.289 43.104 -99.200 -91.000 HIS 124 0.900 -4.117 3.110 39.447 -99.200 -91.000 TYR 132 0.840 4.109 -2.098 53.811 -99.200 -91.000 PHE 140 1.000 4.768 -3.852 39.672 -99.200 -91.000 PHE 142 1.000 8.894 -3.592 48.301 -99.200 -91.000 HIS 159 0.900 24.343 -6.370 44.219 -99.200 -91.000 PHE 172 1.000 18.507 15.460 44.972 -99.200 -91.000 PHE 174 1.000 11.843 9.443 45.067 -99.200 -91.000 HIS 183 0.900 16.454 -7.578 32.038 -99.200 -91.000 TRP 195 1.040 0.020 -11.017 19.719 -99.200 -91.000 TRP6 195 1.020 1.280 -9.021 19.904 -99.200 -91.000 TYR 218 0.840 12.145 -5.379 8.550 -99.200 -91.000 PHE 220 1.000 13.488 1.735 10.965 -99.200 -91.000 TYR 234 0.840 17.030 -1.132 8.495 -99.200 -91.000 HIS 241 0.900 12.555 18.239 13.903 -99.200 -91.000 PHE 258 1.000 9.925 -1.128 7.249 -99.200 -91.000