============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 4 0.840 -2.538 15.493 25.697 -99.200 -91.000 HIS 32 0.900 -8.575 6.101 19.782 -99.200 -91.000 PHE 39 1.000 -6.307 6.068 38.579 -99.200 -91.000 TYR 40 0.840 0.809 11.208 39.198 -99.200 -91.000 TYR 53 0.840 -9.221 18.142 45.583 -99.200 -91.000 HIS 72 0.900 -20.481 13.361 24.123 -99.200 -91.000 TRP 89 1.040 -19.432 28.788 46.233 -99.200 -91.000 TRP6 89 1.020 -21.182 29.071 47.785 -99.200 -91.000 PHE 101 1.000 -10.499 19.544 20.597 -99.200 -91.000 HIS 115 0.900 -8.016 24.820 33.963 -99.200 -91.000 TYR 116 0.840 -8.744 29.572 35.477 -99.200 -91.000 TRP 126 1.040 4.653 17.308 38.890 -99.200 -91.000 TRP6 126 1.020 6.778 16.863 37.955 -99.200 -91.000 PHE 129 1.000 7.759 15.301 32.195 -99.200 -91.000 PHE 137 1.000 1.259 23.878 28.120 -99.200 -91.000 HIS 148 0.900 15.066 21.870 34.940 -99.200 -91.000 PHE 152 1.000 4.592 23.606 38.713 -99.200 -91.000 TRP 158 1.040 -5.714 6.684 45.308 -99.200 -91.000 TRP6 158 1.020 -6.653 8.552 46.399 -99.200 -91.000