============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 9 0.840 17.729 20.641 13.446 -99.200 -91.000 PHE 21 1.000 29.880 25.502 13.961 -99.200 -91.000 PHE 31 1.000 22.143 18.623 14.638 -99.200 -91.000 HIS 36 0.900 15.393 29.551 18.781 -99.200 -91.000 PHE 54 1.000 16.729 19.574 19.599 -99.200 -91.000 PHE 59 1.000 14.411 30.165 23.988 -99.200 -91.000 TRP 66 1.040 24.598 17.510 23.669 -99.200 -91.000 TRP6 66 1.020 25.226 15.385 22.933 -99.200 -91.000 PHE 84 1.000 30.462 20.868 0.787 -99.200 -91.000 TYR 108 0.840 29.199 31.272 3.775 -99.200 -91.000 TYR 122 0.840 15.392 35.828 21.451 -99.200 -91.000 TRP 146 1.040 25.973 33.459 13.227 -99.200 -91.000 TRP6 146 1.020 26.093 35.752 12.716 -99.200 -91.000 PHE 180 1.000 28.098 35.073 16.876 -99.200 -91.000 TYR 190 0.840 24.911 21.127 26.770 -99.200 -91.000