============================================================================= 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. TYR 2 0.840 68.161 35.990 19.649 -99.200 -91.000 PHE 3 1.000 63.304 33.484 12.936 -99.200 -91.000 PHE 14 1.000 50.403 17.096 28.655 -99.200 -91.000 HIS 31 0.900 38.457 -13.781 40.917 -99.200 -91.000 PHE 33 1.000 40.364 -5.608 38.619 -99.200 -91.000 TYR 45 0.840 60.967 20.035 36.915 -99.200 -91.000 PHE 52 1.000 46.976 4.762 40.175 -99.200 -91.000 TRP 63 1.040 47.098 -2.487 44.877 -99.200 -91.000 TRP6 63 1.020 45.733 -0.996 43.665 -99.200 -91.000 PHE 74 1.000 50.613 14.271 32.892 -99.200 -91.000 TYR 77 0.840 59.028 12.428 24.188 -99.200 -91.000 HIS 80 0.900 68.253 15.648 22.565 -99.200 -91.000 HIS 84 0.900 62.026 12.481 16.895 -99.200 -91.000 PHE 86 1.000 50.597 9.399 19.126 -99.200 -91.000 PHE 87 1.000 53.371 8.536 24.313 -99.200 -91.000 TYR 95 0.840 47.707 8.998 24.489 -99.200 -91.000 PHE 102 1.000 50.507 -11.863 24.574 -99.200 -91.000 PHE 103 1.000 50.654 -10.299 33.700 -99.200 -91.000 TYR 109 0.840 46.353 -8.123 33.883 -99.200 -91.000 PHE 117 1.000 45.072 18.084 29.144 -99.200 -91.000 PHE 133 1.000 45.946 -13.478 34.204 -99.200 -91.000 HIS 142 0.900 46.410 -11.114 45.362 -99.200 -91.000 TYR 146 0.840 52.868 -2.142 46.974 -99.200 -91.000 TYR 148 0.840 61.964 1.698 44.061 -99.200 -91.000 HIS 151 0.900 61.522 -3.708 33.310 -99.200 -91.000 TYR 154 0.840 63.696 -0.598 24.240 -99.200 -91.000 PHE 168 1.000 56.209 -1.622 28.387 -99.200 -91.000 HIS 172 0.900 55.182 -7.050 37.174 -99.200 -91.000 HIS 184 0.900 53.665 -4.593 30.020 -99.200 -91.000 TYR 185 0.840 54.210 -8.087 22.415 -99.200 -91.000 HIS 202 0.900 60.708 8.155 21.061 -99.200 -91.000 TYR 203 0.840 65.941 4.391 25.609 -99.200 -91.000 HIS 220 0.900 46.780 2.214 50.362 -99.200 -91.000 PHE 226 1.000 60.825 11.198 39.587 -99.200 -91.000