============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 12 1.000 16.549 -18.950 -7.199 -99.200 -91.000 PHE 47 1.000 13.109 -36.064 2.022 -99.200 -91.000 PHE 49 1.000 11.206 -32.480 6.957 -99.200 -91.000 TYR 51 0.840 5.371 -26.034 12.704 -99.200 -91.000 TYR 53 0.840 8.268 -22.638 9.474 -99.200 -91.000 TRP 54 1.040 7.336 -20.626 -0.870 -99.200 -91.000 TRP6 54 1.020 8.764 -21.893 -2.269 -99.200 -91.000 HIS 56 0.900 12.834 -19.482 -4.006 -99.200 -91.000 TYR 64 0.840 9.343 -14.456 3.288 -99.200 -91.000 TYR 71 0.840 9.333 -16.151 19.237 -99.200 -91.000 HIS 81 0.900 6.903 -26.861 25.758 -99.200 -91.000 PHE 83 1.000 7.946 -17.237 31.276 -99.200 -91.000 TYR 86 0.840 9.286 -29.830 33.263 -99.200 -91.000 PHE 91 1.000 20.359 -28.543 19.062 -99.200 -91.000 TYR 93 0.840 22.089 -30.619 9.844 -99.200 -91.000 TYR 102 0.840 16.798 -13.829 7.452 -99.200 -91.000 PHE 124 1.000 15.097 -9.627 29.784 -99.200 -91.000 TYR 137 0.840 9.608 -14.048 36.785 -99.200 -91.000 TYR 143 0.840 26.237 -15.399 20.872 -99.200 -91.000 TYR 147 0.840 37.647 -23.806 14.611 -99.200 -91.000 HIS 168 0.900 30.625 -30.035 40.371 -99.200 -91.000 TYR 174 0.840 32.635 -26.696 35.141 -99.200 -91.000 TYR 186 0.840 14.945 -7.097 23.237 -99.200 -91.000 HIS 215 0.900 28.981 -27.383 16.055 -99.200 -91.000 PHE 218 1.000 21.782 -15.467 23.498 -99.200 -91.000 PHE 222 1.000 12.486 -17.249 33.103 -99.200 -91.000 HIS 227 0.900 7.341 -13.911 49.770 -99.200 -91.000 TYR 284 0.840 23.007 -37.284 26.342 -99.200 -91.000 TRP 291 1.040 30.650 -33.600 28.319 -99.200 -91.000 TRP6 291 1.020 32.946 -33.043 28.349 -99.200 -91.000 TYR 316 0.840 19.225 -33.955 -5.845 -99.200 -91.000 TYR 325 0.840 21.337 -34.138 11.011 -99.200 -91.000