============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 29 1.000 19.457 13.446 24.910 -99.200 -91.000 TYR 32 0.840 14.061 8.352 28.780 -99.200 -91.000 PHE 34 1.000 17.074 9.114 23.267 -99.200 -91.000 TRP 36 1.040 18.270 7.182 14.929 -99.200 -91.000 TRP6 36 1.020 16.655 8.615 13.961 -99.200 -91.000 TRP 47 1.040 18.278 -2.472 16.723 -99.200 -91.000 TRP6 47 1.020 20.636 -2.670 16.841 -99.200 -91.000 HIS 59 0.900 27.377 -1.126 21.230 -99.200 -91.000 TYR 60 0.840 26.697 2.755 14.444 -99.200 -91.000 HIS 63 0.900 24.097 -7.597 6.506 -99.200 -91.000 TYR 80 0.840 21.620 15.971 15.717 -99.200 -91.000 TYR 94 0.840 15.956 5.839 7.075 -99.200 -91.000 PHE 95 1.000 8.658 4.559 11.954 -99.200 -91.000 TYR 100 0.840 14.139 5.721 33.719 -99.200 -91.000 TYR 109 0.840 22.371 2.812 30.514 -99.200 -91.000 PHE 113 1.000 11.794 -2.379 27.213 -99.200 -91.000 HIS 116 0.900 8.741 6.704 26.276 -99.200 -91.000 TRP 117 1.040 8.340 3.080 19.128 -99.200 -91.000 TRP6 117 1.020 9.461 2.036 17.326 -99.200 -91.000 PHE 136 1.000 -2.607 11.677 -18.318 -99.200 -91.000 TYR 159 0.840 3.119 10.447 -7.141 -99.200 -91.000 PHE 160 1.000 11.606 11.703 -6.647 -99.200 -91.000 TRP 168 1.040 -12.435 10.947 -6.028 -99.200 -91.000 TRP6 168 1.020 -12.783 11.204 -8.358 -99.200 -91.000 HIS 178 0.900 -12.621 1.197 -2.726 -99.200 -91.000 PHE 180 1.000 -7.172 0.916 -6.197 -99.200 -91.000 TYR 190 0.840 7.353 7.080 -5.724 -99.200 -91.000 TYR 208 0.840 -20.117 12.182 -9.410 -99.200 -91.000 HIS 214 0.900 4.112 15.885 -5.771 -99.200 -91.000