============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 13 1.000 33.796 36.564 88.069 -99.200 -91.000 TYR 18 0.840 44.669 41.875 91.187 -99.200 -91.000 PHE 46 1.000 41.088 40.800 100.329 -99.200 -91.000 TYR 57 0.840 27.686 30.174 100.515 -99.200 -91.000 TYR 70 0.840 36.327 32.261 88.023 -99.200 -91.000 HIS 90 0.900 25.736 30.593 110.037 -99.200 -91.000 TYR 116 0.840 14.462 42.915 101.742 -99.200 -91.000 TYR 123 0.840 3.810 52.562 100.516 -99.200 -91.000 PHE 133 1.000 18.572 49.438 111.308 -99.200 -91.000 PHE 138 1.000 20.526 44.535 115.337 -99.200 -91.000 TYR 140 0.840 28.637 44.726 108.055 -99.200 -91.000 PHE 141 1.000 27.495 46.743 116.761 -99.200 -91.000 HIS 142 0.900 25.105 39.727 117.123 -99.200 -91.000 HIS 150 0.900 39.381 32.972 117.212 -99.200 -91.000 TYR 166 0.840 30.068 58.549 103.796 -99.200 -91.000 TYR 175 0.840 21.484 49.350 101.514 -99.200 -91.000 PHE 185 1.000 30.967 47.573 113.905 -99.200 -91.000 TRP 209 1.040 25.841 44.186 85.943 -99.200 -91.000 TRP6 209 1.020 23.532 44.728 86.094 -99.200 -91.000 PHE 217 1.000 17.606 49.458 93.289 -99.200 -91.000 PHE 225 1.000 23.087 49.843 89.604 -99.200 -91.000 TYR 238 0.840 37.287 45.475 86.443 -99.200 -91.000 TYR 244 0.840 36.148 45.807 99.784 -99.200 -91.000 TYR 246 0.840 45.395 52.032 100.682 -99.200 -91.000 TYR 254 0.840 50.475 57.462 110.257 -99.200 -91.000 HIS 261 0.900 33.449 58.044 100.572 -99.200 -91.000