============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. TYR 11 0.840 31.378 3.226 9.793 -99.200 -91.000 PHE 13 1.000 31.390 13.336 11.737 -99.200 -91.000 PHE 23 1.000 26.718 11.153 9.703 -99.200 -91.000 TRP 39 1.040 36.742 16.167 4.919 -99.200 -91.000 TRP6 39 1.020 35.754 16.034 7.064 -99.200 -91.000 TYR 40 0.840 29.749 12.892 -0.267 -99.200 -91.000 HIS 44 0.900 17.253 14.468 11.993 -99.200 -91.000 PHE 49 1.000 31.611 22.230 5.283 -99.200 -91.000 PHE 50 1.000 27.943 14.167 5.262 -99.200 -91.000 TYR 54 0.840 32.834 8.683 10.486 -99.200 -91.000