============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 -3.641 -10.948 -5.416 -99.200 -91.000 TRP6 12 1.020 -4.535 -11.027 -7.590 -99.200 -91.000 TYR 20 0.840 1.210 7.440 8.829 -99.200 -91.000 TRP 26 1.040 8.715 2.783 9.806 -99.200 -91.000 TRP6 26 1.020 9.059 4.440 8.185 -99.200 -91.000 HIS 28 0.900 -1.517 -0.238 4.350 -99.200 -91.000 TRP 39 1.040 10.720 4.947 -11.541 -99.200 -91.000 TRP6 39 1.020 10.127 7.166 -11.092 -99.200 -91.000 HIS 45 0.900 -6.732 9.184 -2.521 -99.200 -91.000 PHE 53 1.000 4.059 9.434 2.401 -99.200 -91.000 HIS 60 0.900 -0.322 -13.031 3.204 -99.200 -91.000 TYR 71 0.840 10.619 -3.961 6.160 -99.200 -91.000 HIS 80 0.900 -1.560 14.056 -14.644 -99.200 -91.000 TYR 82 0.840 -4.084 19.676 -16.615 -99.200 -91.000 TRP 83 1.040 -3.936 15.388 -6.525 -99.200 -91.000 TRP6 83 1.020 -5.974 14.231 -6.403 -99.200 -91.000 TYR 91 0.840 -6.194 14.945 -15.395 -99.200 -91.000 TYR 107 0.840 7.225 -15.248 -1.271 -99.200 -91.000 TYR 127 0.840 -10.209 -12.161 -7.796 -99.200 -91.000 TRP 131 1.040 -2.025 -5.695 3.970 -99.200 -91.000 TRP6 131 1.020 -0.612 -5.250 2.166 -99.200 -91.000 TYR 148 0.840 -15.428 -11.977 -9.497 -99.200 -91.000 TYR 154 0.840 -18.690 7.811 -18.989 -99.200 -91.000 TYR 160 0.840 -25.261 1.922 -11.275 -99.200 -91.000 TRP 161 1.040 -19.841 6.274 -8.268 -99.200 -91.000 TRP6 161 1.020 -19.333 7.466 -6.305 -99.200 -91.000 HIS 190 0.900 -4.012 -7.086 -8.843 -99.200 -91.000 TYR 197 0.840 -5.953 -12.397 -12.544 -99.200 -91.000 HIS 200 0.900 -7.063 -3.610 -17.581 -99.200 -91.000 PHE 205 1.000 -14.327 8.950 -6.745 -99.200 -91.000 PHE 220 1.000 -11.019 0.203 -8.428 -99.200 -91.000 TYR 226 0.840 -4.175 9.201 -15.966 -99.200 -91.000 TRP 229 1.040 2.136 11.847 -15.951 -99.200 -91.000 TRP6 229 1.020 2.043 10.642 -13.979 -99.200 -91.000