============================================================================= 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 -3.635 40.216 43.145 -99.200 -91.000 TRP6 12 1.020 -4.413 40.384 45.308 -99.200 -91.000 TYR 20 0.840 0.933 20.926 29.344 -99.200 -91.000 TRP 26 1.040 8.831 25.653 28.231 -99.200 -91.000 TRP6 26 1.020 8.989 24.099 29.924 -99.200 -91.000 HIS 28 0.900 -1.625 29.202 33.239 -99.200 -91.000 TRP 39 1.040 10.551 23.758 49.486 -99.200 -91.000 TRP6 39 1.020 9.649 21.691 49.013 -99.200 -91.000 HIS 45 0.900 -7.466 17.156 38.970 -99.200 -91.000 PHE 53 1.000 3.923 19.447 35.587 -99.200 -91.000 HIS 60 0.900 0.121 41.999 34.278 -99.200 -91.000 TYR 71 0.840 10.833 32.754 31.494 -99.200 -91.000 HIS 80 0.900 -2.164 15.034 52.185 -99.200 -91.000 TYR 82 0.840 -4.239 9.910 54.120 -99.200 -91.000 TRP 83 1.040 -4.279 13.892 43.839 -99.200 -91.000 TRP6 83 1.020 -6.303 14.985 43.697 -99.200 -91.000 TYR 91 0.840 -7.119 14.054 52.400 -99.200 -91.000 TYR 107 0.840 7.898 44.205 38.930 -99.200 -91.000 TYR 127 0.840 -10.165 41.312 45.539 -99.200 -91.000 TRP 131 1.040 -1.819 34.771 33.642 -99.200 -91.000 TRP6 131 1.020 -0.409 34.320 35.405 -99.200 -91.000 TYR 148 0.840 -15.293 41.142 47.229 -99.200 -91.000 TYR 154 0.840 -18.730 21.457 55.851 -99.200 -91.000 TYR 161 0.840 -25.241 27.852 48.410 -99.200 -91.000 TRP 162 1.040 -20.111 23.309 45.245 -99.200 -91.000 TRP6 162 1.020 -19.642 21.998 43.408 -99.200 -91.000 HIS 191 0.900 -3.847 36.226 46.376 -99.200 -91.000 TYR 198 0.840 -5.683 41.532 50.164 -99.200 -91.000 HIS 201 0.900 -6.995 32.720 55.109 -99.200 -91.000 PHE 206 1.000 -14.517 20.384 43.871 -99.200 -91.000 PHE 221 1.000 -11.079 29.309 45.975 -99.200 -91.000 TYR 227 0.840 -4.772 19.781 53.394 -99.200 -91.000 TRP 230 1.040 1.684 16.899 53.809 -99.200 -91.000 TRP6 230 1.020 1.628 18.071 51.824 -99.200 -91.000