============================================================================= 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 -3.628 -10.950 -5.407 -99.200 -91.000 TRP6 12 1.020 -4.582 -11.101 -7.553 -99.200 -91.000 TYR 20 0.840 1.167 7.770 8.548 -99.200 -91.000 TRP 26 1.040 8.700 2.778 9.607 -99.200 -91.000 TRP6 26 1.020 9.011 4.489 8.008 -99.200 -91.000 HIS 28 0.900 -1.509 -0.190 4.369 -99.200 -91.000 TRP 39 1.040 10.742 4.801 -11.471 -99.200 -91.000 TRP6 39 1.020 10.154 7.032 -10.972 -99.200 -91.000 HIS 45 0.900 -6.579 9.201 -2.241 -99.200 -91.000 PHE 53 1.000 4.016 9.498 2.239 -99.200 -91.000 HIS 60 0.900 -0.301 -12.746 3.238 -99.200 -91.000 TYR 71 0.840 10.416 -4.021 6.222 -99.200 -91.000 HIS 80 0.900 -1.593 13.967 -14.562 -99.200 -91.000 TYR 82 0.840 -4.050 19.565 -16.558 -99.200 -91.000 TRP 83 1.040 -3.865 15.238 -6.419 -99.200 -91.000 TRP6 83 1.020 -5.904 14.068 -6.257 -99.200 -91.000 TYR 91 0.840 -6.262 14.890 -15.003 -99.200 -91.000 TYR 107 0.840 7.270 -15.160 -1.199 -99.200 -91.000 TYR 127 0.840 -10.211 -12.149 -7.552 -99.200 -91.000 TRP 131 1.040 -1.916 -5.686 4.005 -99.200 -91.000 TRP6 131 1.020 -0.502 -5.246 2.164 -99.200 -91.000 TYR 148 0.840 -15.241 -11.900 -9.601 -99.200 -91.000 TYR 154 0.840 -18.555 7.774 -18.804 -99.200 -91.000 TYR 160 0.840 -24.902 1.657 -10.993 -99.200 -91.000 TRP 161 1.040 -19.557 6.007 -7.984 -99.200 -91.000 TRP6 161 1.020 -18.955 7.247 -6.059 -99.200 -91.000 HIS 190 0.900 -3.864 -7.184 -8.659 -99.200 -91.000 TYR 197 0.840 -6.014 -12.240 -12.494 -99.200 -91.000 HIS 200 0.900 -6.929 -3.757 -17.356 -99.200 -91.000 PHE 205 1.000 -14.149 8.640 -6.699 -99.200 -91.000 PHE 220 1.000 -10.796 0.096 -8.297 -99.200 -91.000 TYR 226 0.840 -4.104 9.029 -15.810 -99.200 -91.000 TRP 229 1.040 1.994 11.728 -15.824 -99.200 -91.000 TRP6 229 1.020 2.033 10.457 -13.825 -99.200 -91.000