============================================================================= 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 17.696 20.557 13.231 -99.200 -91.000 PHE 21 1.000 29.747 25.495 13.683 -99.200 -91.000 PHE 31 1.000 22.049 18.471 14.341 -99.200 -91.000 HIS 36 0.900 15.396 29.391 18.556 -99.200 -91.000 PHE 54 1.000 16.710 19.399 19.411 -99.200 -91.000 PHE 59 1.000 14.574 29.914 23.770 -99.200 -91.000 TRP 66 1.040 24.431 17.410 23.352 -99.200 -91.000 TRP6 66 1.020 25.162 15.278 22.632 -99.200 -91.000 PHE 84 1.000 30.197 20.781 0.542 -99.200 -91.000 TYR 108 0.840 29.052 31.285 3.704 -99.200 -91.000 TYR 122 0.840 15.515 35.576 21.259 -99.200 -91.000 TRP 146 1.040 25.826 33.200 13.178 -99.200 -91.000 TRP6 146 1.020 26.055 35.506 12.675 -99.200 -91.000 PHE 180 1.000 28.134 34.785 16.840 -99.200 -91.000 TYR 190 0.840 24.856 20.950 26.190 -99.200 -91.000