============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 4 1.000 15.155 -1.283 27.581 -99.200 -91.000 PHE 6 1.000 21.398 -2.568 23.882 -99.200 -91.000 PHE 32 1.000 16.117 7.360 10.580 -99.200 -91.000 TYR 62 0.840 5.494 22.339 21.064 -99.200 -91.000 HIS 63 0.900 5.428 18.984 16.847 -99.200 -91.000 HIS 80 0.900 1.660 2.102 20.668 -99.200 -91.000 PHE 82 1.000 -5.606 9.916 16.865 -99.200 -91.000 TRP 85 1.040 4.433 1.784 15.079 -99.200 -91.000 TRP6 85 1.020 5.608 1.120 13.129 -99.200 -91.000 TYR 96 0.840 15.151 20.647 19.291 -99.200 -91.000 PHE 114 1.000 3.764 25.125 25.151 -99.200 -91.000 HIS 117 0.900 -3.320 27.441 16.830 -99.200 -91.000 HIS 119 0.900 -1.670 24.822 25.623 -99.200 -91.000 HIS 131 0.900 0.015 6.374 31.868 -99.200 -91.000 PHE 141 1.000 10.150 19.321 29.991 -99.200 -91.000 TYR 147 0.840 27.726 24.650 18.451 -99.200 -91.000 TRP 164 1.040 13.669 20.568 34.999 -99.200 -91.000 TRP6 164 1.020 13.455 21.846 33.019 -99.200 -91.000 PHE 172 1.000 8.923 4.944 33.332 -99.200 -91.000 PHE 185 1.000 16.086 4.619 25.816 -99.200 -91.000 PHE 193 1.000 31.622 24.114 26.606 -99.200 -91.000 PHE 209 1.000 17.200 8.368 33.704 -99.200 -91.000 TYR 212 0.840 21.977 5.703 30.947 -99.200 -91.000 PHE 227 1.000 31.123 11.929 12.878 -99.200 -91.000 PHE 232 1.000 34.228 15.144 24.839 -99.200 -91.000 HIS 243 0.900 25.844 3.548 24.603 -99.200 -91.000 TYR 244 0.840 17.050 8.779 20.786 -99.200 -91.000 PHE 265 1.000 22.418 6.671 14.751 -99.200 -91.000 PHE 280 1.000 19.115 11.381 2.131 -99.200 -91.000 TRP 282 1.040 23.079 2.301 -1.581 -99.200 -91.000 TRP6 282 1.020 23.433 2.318 0.760 -99.200 -91.000 PHE 293 1.000 18.199 13.542 -11.421 -99.200 -91.000 HIS 305 0.900 17.800 -4.825 -2.466 -99.200 -91.000 TRP 312 1.040 5.559 4.365 -10.033 -99.200 -91.000 TRP6 312 1.020 5.091 3.308 -7.967 -99.200 -91.000 TYR 316 0.840 4.658 8.706 -12.175 -99.200 -91.000 HIS 318 0.900 12.058 16.481 -13.437 -99.200 -91.000 HIS 319 0.900 4.263 14.736 -14.384 -99.200 -91.000 HIS 335 0.900 15.004 5.857 -2.664 -99.200 -91.000 PHE 339 1.000 20.367 5.487 0.990 -99.200 -91.000 TYR 340 0.840 18.225 8.392 6.591 -99.200 -91.000 PHE 356 1.000 30.276 0.311 11.356 -99.200 -91.000 PHE 359 1.000 28.256 -0.062 5.319 -99.200 -91.000 PHE 363 1.000 27.640 5.833 3.525 -99.200 -91.000 TYR 367 0.840 25.928 9.708 1.078 -99.200 -91.000 PHE 368 1.000 31.145 11.695 2.593 -99.200 -91.000