============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 39 0.840 112.697 71.413 20.784 -99.200 -91.000 PHE 41 1.000 106.327 73.168 17.610 -99.200 -91.000 TYR 46 0.840 89.370 70.867 10.481 -99.200 -91.000 TYR 81 0.840 90.865 24.972 8.509 -99.200 -91.000 TYR 82 0.840 94.965 25.465 11.056 -99.200 -91.000 HIS 90 0.900 89.399 54.104 8.592 -99.200 -91.000 PHE 92 1.000 97.446 61.167 13.878 -99.200 -91.000 PHE 94 1.000 98.126 67.691 13.250 -99.200 -91.000 TYR 100 0.840 95.107 72.229 20.172 -99.200 -91.000 TYR 118 0.840 92.390 48.122 24.395 -99.200 -91.000 TYR 119 0.840 91.231 44.143 21.777 -99.200 -91.000 PHE 130 1.000 76.010 45.548 35.383 -99.200 -91.000 PHE 138 1.000 69.905 49.403 41.250 -99.200 -91.000 PHE 141 1.000 68.415 48.146 48.958 -99.200 -91.000 PHE 159 1.000 79.656 41.230 34.149 -99.200 -91.000 TYR 160 0.840 83.348 40.920 26.759 -99.200 -91.000 PHE 163 1.000 77.472 45.047 29.825 -99.200 -91.000 TYR 182 0.840 63.572 41.985 45.777 -99.200 -91.000 TYR 187 0.840 66.761 39.619 32.915 -99.200 -91.000 TYR 191 0.840 75.667 32.913 34.629 -99.200 -91.000 PHE 196 1.000 70.419 34.239 30.192 -99.200 -91.000