============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 6 1.000 23.684 7.626 107.688 -99.200 -91.000 PHE 50 1.000 -14.465 12.724 123.386 -99.200 -91.000 PHE 56 1.000 -9.557 -0.433 119.594 -99.200 -91.000 HIS 66 0.900 7.096 14.283 114.261 -99.200 -91.000 TYR 105 0.840 -25.429 31.255 118.315 -99.200 -91.000 TRP 115 1.040 -26.975 9.754 116.218 -99.200 -91.000 TRP6 115 1.020 -25.112 10.750 117.286 -99.200 -91.000 PHE 127 1.000 -13.305 15.565 113.468 -99.200 -91.000 TRP 136 1.040 -5.589 15.284 111.470 -99.200 -91.000 TRP6 136 1.020 -5.564 13.656 113.185 -99.200 -91.000 PHE 140 1.000 -3.240 21.791 114.784 -99.200 -91.000 PHE 146 1.000 -10.588 20.208 116.442 -99.200 -91.000 HIS 147 0.900 -14.258 21.173 124.582 -99.200 -91.000 TRP 156 1.040 -33.410 8.680 127.083 -99.200 -91.000 TRP6 156 1.020 -32.993 7.047 125.428 -99.200 -91.000 TRP 170 1.040 -13.021 8.578 118.644 -99.200 -91.000 TRP6 170 1.020 -13.898 10.626 117.875 -99.200 -91.000 PHE 171 1.000 -13.190 3.260 112.078 -99.200 -91.000 TYR 182 0.840 -16.401 30.693 107.481 -99.200 -91.000 PHE 191 1.000 -21.217 33.147 105.588 -99.200 -91.000 TRP 196 1.040 -30.734 24.973 117.780 -99.200 -91.000 TRP6 196 1.020 -30.770 22.926 116.616 -99.200 -91.000 PHE 202 1.000 -44.327 22.788 115.361 -99.200 -91.000 TRP 239 1.040 -20.632 40.572 106.010 -99.200 -91.000 TRP6 239 1.020 -21.516 38.446 105.558 -99.200 -91.000 TYR 241 0.840 -29.367 47.736 105.254 -99.200 -91.000 PHE 242 1.000 -28.971 37.428 105.861 -99.200 -91.000 PHE 248 1.000 -33.796 28.830 107.051 -99.200 -91.000 TYR 257 0.840 -45.038 4.227 117.795 -99.200 -91.000 PHE 264 1.000 -40.902 24.179 108.460 -99.200 -91.000 PHE 265 1.000 -46.411 30.807 106.875 -99.200 -91.000 PHE 268 1.000 -42.071 41.281 105.489 -99.200 -91.000 PHE 278 1.000 -50.548 32.490 108.700 -99.200 -91.000 PHE 281 1.000 -47.762 35.060 102.606 -99.200 -91.000 HIS 283 0.900 -48.731 26.076 101.187 -99.200 -91.000 PHE 288 1.000 -39.550 15.374 109.623 -99.200 -91.000 PHE 299 1.000 -38.422 28.303 103.164 -99.200 -91.000 PHE 304 1.000 -36.040 35.796 101.690 -99.200 -91.000 TRP 308 1.040 -33.293 39.567 105.977 -99.200 -91.000 TRP6 308 1.020 -33.329 38.296 103.988 -99.200 -91.000 TYR 325 0.840 -39.915 37.901 112.643 -99.200 -91.000 TYR 327 0.840 -45.255 34.130 110.458 -99.200 -91.000 HIS 331 0.900 -51.737 21.611 105.694 -99.200 -91.000 PHE 342 1.000 -43.564 16.758 114.676 -99.200 -91.000 TYR 357 0.840 -27.139 45.029 97.988 -99.200 -91.000