============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 29 1.000 -0.739 24.749 25.772 -99.200 -91.000 TYR 32 0.840 4.794 29.281 30.097 -99.200 -91.000 PHE 34 1.000 1.764 29.035 24.453 -99.200 -91.000 TRP 36 1.040 0.300 31.844 16.548 -99.200 -91.000 TRP6 36 1.020 1.781 30.396 15.405 -99.200 -91.000 TRP 47 1.040 0.604 41.136 19.056 -99.200 -91.000 TRP6 47 1.020 -1.751 41.321 19.188 -99.200 -91.000 HIS 59 0.900 -8.431 39.329 23.597 -99.200 -91.000 TYR 60 0.840 -7.871 36.180 16.269 -99.200 -91.000 HIS 63 0.900 -6.329 47.382 9.672 -99.200 -91.000 TYR 80 0.840 -3.010 22.971 16.803 -99.200 -91.000 TYR 94 0.840 2.802 33.764 8.594 -99.200 -91.000 PHE 95 1.000 10.226 34.237 13.833 -99.200 -91.000 TYR 100 0.840 4.686 31.311 35.246 -99.200 -91.000 TYR 109 0.840 -3.379 34.815 32.415 -99.200 -91.000 PHE 113 1.000 7.116 40.240 29.385 -99.200 -91.000 HIS 116 0.900 10.361 30.855 27.543 -99.200 -91.000 TRP 117 1.040 10.384 35.361 20.896 -99.200 -91.000 TRP6 117 1.020 9.391 36.683 19.208 -99.200 -91.000 PHE 136 1.000 21.778 30.492 -17.759 -99.200 -91.000 TYR 153 0.840 16.235 29.999 -6.869 -99.200 -91.000 PHE 154 1.000 7.700 28.970 -6.075 -99.200 -91.000 TRP 162 1.040 31.718 29.445 -5.407 -99.200 -91.000 TRP6 162 1.020 31.985 29.634 -7.748 -99.200 -91.000 HIS 172 0.900 31.562 38.715 -0.782 -99.200 -91.000 PHE 174 1.000 26.314 39.665 -4.498 -99.200 -91.000 TYR 184 0.840 11.791 33.393 -4.531 -99.200 -91.000 TYR 202 0.840 39.383 28.598 -8.843 -99.200 -91.000 HIS 208 0.900 15.140 24.624 -6.182 -99.200 -91.000