============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 5 1.000 7.333 31.370 67.416 -99.200 -91.000 PHE 10 1.000 9.666 27.599 63.182 -99.200 -91.000 PHE 17 1.000 9.765 33.009 63.157 -99.200 -91.000 PHE 20 1.000 7.918 36.915 68.222 -99.200 -91.000 PHE 31 1.000 18.135 23.923 62.224 -99.200 -91.000 PHE 43 1.000 10.557 10.833 61.164 -99.200 -91.000 TYR 44 0.840 13.009 16.635 67.162 -99.200 -91.000 PHE 81 1.000 15.422 36.228 62.542 -99.200 -91.000 TYR 83 0.840 14.581 26.362 64.757 -99.200 -91.000 PHE 90 1.000 17.779 16.784 82.141 -99.200 -91.000 PHE 91 1.000 24.844 16.003 73.853 -99.200 -91.000 TYR 115 0.840 16.666 30.684 72.397 -99.200 -91.000 TYR 131 0.840 10.626 22.349 83.579 -99.200 -91.000 TYR 146 0.840 20.150 18.138 86.160 -99.200 -91.000 PHE 154 1.000 7.421 31.821 80.655 -99.200 -91.000 HIS 159 0.900 6.473 17.918 72.385 -99.200 -91.000 TYR 160 0.840 -0.827 20.740 79.906 -99.200 -91.000 PHE 165 1.000 6.413 13.718 74.256 -99.200 -91.000 TYR 176 0.840 9.001 19.187 88.914 -99.200 -91.000 TYR 179 0.840 3.242 30.590 79.756 -99.200 -91.000 HIS 184 0.900 -1.117 21.679 66.150 -99.200 -91.000 PHE 188 1.000 3.238 35.256 68.814 -99.200 -91.000