============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 4 0.840 33.398 -32.083 40.602 -99.200 -91.000 TYR 19 0.840 32.260 -25.824 40.189 -99.200 -91.000 PHE 21 1.000 41.986 -22.647 34.094 -99.200 -91.000 TRP 26 1.040 37.432 -30.790 18.981 -99.200 -91.000 TRP6 26 1.020 36.654 -29.234 17.363 -99.200 -91.000 TYR 32 0.840 28.274 -22.631 6.137 -99.200 -91.000 TRP 39 1.040 32.599 -24.344 3.569 -99.200 -91.000 TRP6 39 1.020 33.425 -23.619 5.674 -99.200 -91.000 PHE 48 1.000 41.413 -21.828 28.261 -99.200 -91.000 TYR 53 0.840 28.838 -19.930 32.905 -99.200 -91.000 HIS 55 0.900 34.164 -19.801 29.207 -99.200 -91.000 PHE 61 1.000 36.678 -21.545 10.956 -99.200 -91.000 PHE 64 1.000 37.349 -24.035 0.153 -99.200 -91.000 PHE 76 1.000 33.213 -29.807 20.828 -99.200 -91.000 PHE 93 1.000 21.776 -25.111 26.080 -99.200 -91.000 HIS 94 0.900 20.665 -32.477 29.859 -99.200 -91.000 TYR 100 0.840 24.033 -19.550 26.702 -99.200 -91.000 TYR 117 0.840 37.132 -8.697 6.843 -99.200 -91.000 TRP 123 1.040 21.399 -18.864 17.380 -99.200 -91.000 TRP6 123 1.020 20.749 -17.209 15.811 -99.200 -91.000 TRP 127 1.040 26.841 -31.534 22.624 -99.200 -91.000 TRP6 127 1.020 26.058 -33.646 23.400 -99.200 -91.000 HIS 144 0.900 30.531 -16.026 -0.185 -99.200 -91.000 TRP 149 1.040 34.303 -18.880 8.520 -99.200 -91.000 TRP6 149 1.020 32.176 -19.073 9.562 -99.200 -91.000 TYR 156 0.840 28.345 -25.396 25.346 -99.200 -91.000 PHE 160 1.000 24.237 -29.643 37.308 -99.200 -91.000