============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 29 1.000 -0.648 7.979 26.446 -99.200 -91.000 TRP 34 1.040 14.348 13.008 27.670 -99.200 -91.000 TRP6 34 1.020 15.339 12.853 25.520 -99.200 -91.000 TYR 35 0.840 14.880 6.081 31.370 -99.200 -91.000 PHE 48 1.000 9.692 12.401 37.443 -99.200 -91.000 HIS 52 0.900 7.150 17.198 36.293 -99.200 -91.000 PHE 61 1.000 21.970 16.510 32.614 -99.200 -91.000 HIS 78 0.900 31.815 18.553 34.422 -99.200 -91.000 TYR 85 0.840 22.703 12.068 28.132 -99.200 -91.000 PHE 86 1.000 20.045 4.597 24.950 -99.200 -91.000 HIS 95 0.900 2.999 -3.064 24.141 -99.200 -91.000 PHE 98 1.000 13.808 2.278 27.032 -99.200 -91.000 PHE 119 1.000 33.712 -0.703 -2.833 -99.200 -91.000 PHE 140 1.000 32.124 7.709 11.803 -99.200 -91.000 TYR 141 0.840 35.739 13.880 18.186 -99.200 -91.000 TRP 149 1.040 21.852 -0.074 4.184 -99.200 -91.000 TRP6 149 1.020 23.298 -0.287 2.327 -99.200 -91.000 TYR 173 0.840 35.475 7.258 17.395 -99.200 -91.000 TYR 178 0.840 29.409 -5.395 5.652 -99.200 -91.000 TRP 186 1.040 21.786 -6.261 -7.849 -99.200 -91.000 TRP6 186 1.020 22.441 -4.109 -7.103 -99.200 -91.000 HIS 189 0.900 13.343 -3.008 -4.958 -99.200 -91.000 TYR 192 0.840 18.455 -2.403 -3.850 -99.200 -91.000 HIS 198 0.900 29.609 12.925 12.198 -99.200 -91.000