============================================================================= 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 -3.674 -10.936 -5.375 -99.200 -91.000 TRP6 12 1.020 -4.610 -11.057 -7.534 -99.200 -91.000 TYR 20 0.840 1.148 7.572 8.753 -99.200 -91.000 TRP 26 1.040 8.740 2.744 9.709 -99.200 -91.000 TRP6 26 1.020 9.039 4.438 8.107 -99.200 -91.000 HIS 28 0.900 -1.518 -0.212 4.394 -99.200 -91.000 TRP 39 1.040 10.746 4.849 -11.442 -99.200 -91.000 TRP6 39 1.020 10.158 7.077 -10.970 -99.200 -91.000 HIS 45 0.900 -6.612 9.205 -2.374 -99.200 -91.000 PHE 53 1.000 4.034 9.449 2.329 -99.200 -91.000 HIS 60 0.900 -0.339 -12.884 3.204 -99.200 -91.000 TYR 71 0.840 10.529 -3.928 6.173 -99.200 -91.000 HIS 80 0.900 -1.568 14.011 -14.591 -99.200 -91.000 TYR 82 0.840 -3.986 19.630 -16.614 -99.200 -91.000 TRP 83 1.040 -3.873 15.321 -6.465 -99.200 -91.000 TRP6 83 1.020 -5.915 14.162 -6.306 -99.200 -91.000 TYR 91 0.840 -6.221 14.968 -15.152 -99.200 -91.000 TYR 107 0.840 7.201 -15.198 -1.203 -99.200 -91.000 TYR 127 0.840 -10.245 -12.135 -7.585 -99.200 -91.000 TRP 131 1.040 -1.985 -5.727 3.985 -99.200 -91.000 TRP6 131 1.020 -0.550 -5.277 2.176 -99.200 -91.000 TYR 148 0.840 -15.351 -11.942 -9.553 -99.200 -91.000 TYR 154 0.840 -18.724 7.868 -18.852 -99.200 -91.000 TYR 160 0.840 -25.022 1.828 -11.022 -99.200 -91.000 TRP 161 1.040 -19.642 6.169 -8.081 -99.200 -91.000 TRP6 161 1.020 -19.081 7.338 -6.127 -99.200 -91.000 HIS 190 0.900 -3.969 -7.133 -8.678 -99.200 -91.000 TYR 197 0.840 -6.002 -12.219 -12.469 -99.200 -91.000 HIS 200 0.900 -7.120 -3.550 -17.469 -99.200 -91.000 PHE 205 1.000 -14.217 8.786 -6.694 -99.200 -91.000 PHE 220 1.000 -10.868 0.153 -8.333 -99.200 -91.000 TYR 226 0.840 -4.103 9.071 -15.860 -99.200 -91.000 TRP 229 1.040 2.010 11.741 -15.854 -99.200 -91.000 TRP6 229 1.020 2.047 10.501 -13.843 -99.200 -91.000