============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. PHE 20 1.000 20.399 30.485 -2.293 -99.200 -91.000 PHE 25 1.000 23.014 24.577 -2.034 -99.200 -91.000 TYR 32 0.840 23.404 13.857 1.272 -99.200 -91.000 PHE 43 1.000 19.105 21.787 -1.467 -99.200 -91.000 TRP 47 1.040 24.380 28.878 2.951 -99.200 -91.000 TRP6 47 1.020 24.917 29.625 0.789 -99.200 -91.000 PHE 54 1.000 35.464 32.506 1.841 -99.200 -91.000 HIS 79 0.900 35.354 21.153 -7.720 -99.200 -91.000 HIS 100 0.900 19.186 18.671 10.407 -99.200 -91.000