============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 1 1.000 154.250 1.328 -23.726 -99.200 -91.000 TYR 24 0.840 152.647 13.560 0.947 -99.200 -91.000 TYR 40 0.840 147.495 31.015 7.407 -99.200 -91.000 TYR 44 0.840 145.817 35.975 14.018 -99.200 -91.000 TYR 46 0.840 157.305 37.090 13.225 -99.200 -91.000 HIS 47 0.900 148.795 41.261 10.005 -99.200 -91.000 PHE 50 1.000 151.163 46.700 11.223 -99.200 -91.000 TYR 52 0.840 153.276 47.226 22.067 -99.200 -91.000 PHE 53 1.000 157.227 46.814 18.849 -99.200 -91.000 PHE 66 1.000 161.900 42.104 11.505 -99.200 -91.000 PHE 67 1.000 158.379 42.521 15.199 -99.200 -91.000 HIS 77 0.900 158.666 31.687 5.329 -99.200 -91.000 TYR 84 0.840 156.109 18.926 -0.786 -99.200 -91.000 PHE 104 1.000 153.597 41.365 21.278 -99.200 -91.000 HIS 106 0.900 160.630 42.771 29.883 -99.200 -91.000 HIS 114 0.900 158.900 40.911 25.969 -99.200 -91.000 HIS 134 0.900 165.283 16.140 7.311 -99.200 -91.000 PHE 148 1.000 158.561 21.969 0.205 -99.200 -91.000 TYR 153 0.840 159.375 25.787 4.110 -99.200 -91.000 TYR 167 0.840 167.154 42.791 12.591 -99.200 -91.000 HIS 178 0.900 169.945 59.553 20.525 -99.200 -91.000 TRP 181 1.040 163.537 57.776 17.216 -99.200 -91.000 TRP6 181 1.020 165.183 58.977 16.025 -99.200 -91.000 HIS 182 0.900 171.241 56.141 15.342 -99.200 -91.000 PHE 183 1.000 167.705 47.557 15.787 -99.200 -91.000 HIS 189 0.900 165.052 55.443 6.660 -99.200 -91.000