============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 5 0.840 116.542 50.442 19.759 -99.200 -91.000 TYR 7 0.840 114.774 59.728 20.149 -99.200 -91.000 PHE 18 1.000 97.107 50.636 10.044 -99.200 -91.000 PHE 38 1.000 108.108 27.084 -25.392 -99.200 -91.000 TRP 70 1.040 96.424 31.985 -21.523 -99.200 -91.000 TRP6 70 1.020 97.454 31.296 -23.493 -99.200 -91.000 PHE 81 1.000 109.787 32.893 -27.576 -99.200 -91.000 TYR 97 0.840 112.965 34.713 -46.257 -99.200 -91.000 PHE 114 1.000 91.147 35.739 -28.078 -99.200 -91.000 PHE 128 1.000 112.086 30.143 -38.134 -99.200 -91.000 HIS 131 0.900 123.190 26.830 -39.101 -99.200 -91.000 TYR 142 0.840 132.160 34.484 -35.527 -99.200 -91.000 HIS 159 0.900 107.961 37.595 -37.121 -99.200 -91.000 HIS 189 0.900 104.520 46.973 -41.914 -99.200 -91.000 TYR 197 0.840 114.536 38.444 -26.429 -99.200 -91.000 TYR 201 0.840 123.986 39.000 -18.471 -99.200 -91.000 TYR 205 0.840 120.001 30.148 -13.674 -99.200 -91.000 TYR 206 0.840 119.438 31.549 -22.011 -99.200 -91.000 PHE 209 1.000 113.457 28.836 -26.111 -99.200 -91.000 TYR 218 0.840 125.585 33.447 -30.491 -99.200 -91.000 HIS 230 0.900 129.532 50.843 -22.035 -99.200 -91.000 TYR 251 0.840 122.118 36.875 -15.475 -99.200 -91.000 PHE 262 1.000 120.713 53.088 -20.353 -99.200 -91.000 PHE 267 1.000 108.569 45.513 -21.352 -99.200 -91.000 TYR 269 0.840 111.644 34.776 -21.923 -99.200 -91.000 TYR 275 0.840 107.015 26.770 -15.406 -99.200 -91.000 HIS 278 0.900 111.429 30.022 -8.930 -99.200 -91.000 TRP 286 1.040 111.846 19.219 -1.911 -99.200 -91.000 TRP6 286 1.020 113.604 18.890 -3.450 -99.200 -91.000 PHE 299 1.000 111.725 38.525 -12.594 -99.200 -91.000 TYR 310 0.840 108.256 29.927 -20.387 -99.200 -91.000 PHE 311 1.000 106.064 29.746 -12.141 -99.200 -91.000