============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 23 1.000 42.412 11.382 8.918 -99.200 -91.000 PHE 26 1.000 44.724 15.147 8.781 -99.200 -91.000 TYR 31 0.840 53.993 17.128 18.478 -99.200 -91.000 TRP 37 1.040 33.868 12.494 14.321 -99.200 -91.000 TRP6 37 1.020 32.950 12.040 12.189 -99.200 -91.000 TRP 48 1.040 34.140 19.331 20.570 -99.200 -91.000 TRP6 48 1.020 33.907 18.845 22.866 -99.200 -91.000 HIS 51 0.900 38.795 17.409 21.189 -99.200 -91.000 TRP 53 1.040 44.178 16.120 21.030 -99.200 -91.000 TRP6 53 1.020 44.743 17.933 19.614 -99.200 -91.000 TRP 54 1.040 50.509 12.929 18.839 -99.200 -91.000 TRP6 54 1.020 49.952 15.152 19.424 -99.200 -91.000 TYR 60 0.840 34.277 10.574 24.197 -99.200 -91.000 PHE 80 1.000 37.203 3.973 12.149 -99.200 -91.000 TYR 94 0.840 25.936 13.603 13.279 -99.200 -91.000 TYR 95 0.840 29.577 20.104 8.470 -99.200 -91.000 TYR 103 0.840 49.855 19.640 23.399 -99.200 -91.000 TRP 106 1.040 42.606 26.889 15.191 -99.200 -91.000 TRP6 106 1.020 44.308 27.316 16.772 -99.200 -91.000 PHE 107 1.000 37.327 21.415 15.596 -99.200 -91.000 TYR 109 0.840 43.396 22.491 5.642 -99.200 -91.000 TRP 110 1.040 35.844 22.994 9.585 -99.200 -91.000 TRP6 110 1.020 34.033 22.855 11.094 -99.200 -91.000 PHE 129 1.000 7.406 11.687 -12.800 -99.200 -91.000 TYR 152 0.840 14.122 13.119 -2.578 -99.200 -91.000 PHE 153 1.000 12.212 9.901 5.131 -99.200 -91.000 TRP 161 1.040 21.019 19.546 -14.983 -99.200 -91.000 TRP6 161 1.020 19.184 18.934 -16.350 -99.200 -91.000 HIS 171 0.900 19.363 29.091 -11.186 -99.200 -91.000 PHE 173 1.000 14.592 26.154 -7.935 -99.200 -91.000 TYR 183 0.840 12.822 15.300 2.632 -99.200 -91.000 TYR 201 0.840 20.835 20.958 -23.139 -99.200 -91.000 HIS 207 0.900 16.879 8.369 -2.158 -99.200 -91.000 HIS 224 0.900 -0.482 22.695 -34.648 -99.200 -91.000 HIS 225 0.900 0.906 27.583 -29.605 -99.200 -91.000 HIS 226 0.900 -7.086 23.415 -34.559 -99.200 -91.000 HIS 227 0.900 -9.047 28.777 -36.851 -99.200 -91.000 HIS 228 0.900 -1.550 31.744 -32.268 -99.200 -91.000 HIS 229 0.900 -3.569 33.533 -39.497 -99.200 -91.000