============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 3 0.840 -7.129 -13.585 8.403 -99.200 -91.000 TYR 5 0.840 -5.405 -19.817 2.305 -99.200 -91.000 PHE 7 1.000 -3.412 -15.193 -0.669 -99.200 -91.000 PHE 26 1.000 -10.256 -4.889 -3.060 -99.200 -91.000 PHE 31 1.000 -12.483 8.977 -7.673 -99.200 -91.000 PHE 43 1.000 0.052 -1.620 6.332 -99.200 -91.000 TRP 60 1.040 1.209 -3.372 1.867 -99.200 -91.000 TRP6 60 1.020 3.123 -2.795 3.133 -99.200 -91.000 TYR 68 0.840 14.082 5.039 3.975 -99.200 -91.000 TYR 75 0.840 5.068 -0.452 -2.144 -99.200 -91.000 TYR 76 0.840 8.585 -3.472 -5.026 -99.200 -91.000 TYR 86 0.840 -2.294 1.472 -19.038 -99.200 -91.000 HIS 91 0.900 1.433 6.397 -25.603 -99.200 -91.000 TYR 94 0.840 0.951 1.066 -22.895 -99.200 -91.000 TRP 100 1.040 6.142 2.309 -13.099 -99.200 -91.000 TRP6 100 1.020 6.813 2.820 -10.888 -99.200 -91.000 HIS 107 0.900 14.180 -2.881 -6.463 -99.200 -91.000 HIS 125 0.900 -14.934 13.041 -25.566 -99.200 -91.000 PHE 137 1.000 4.169 -4.239 -22.133 -99.200 -91.000 PHE 145 1.000 -5.433 -4.309 -20.634 -99.200 -91.000 PHE 160 1.000 -7.636 -4.059 -5.898 -99.200 -91.000 TYR 168 0.840 -7.211 -20.553 -2.693 -99.200 -91.000