============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 2 0.900 -8.307 -41.126 28.464 -99.200 -91.000 HIS 4 0.900 -7.886 -39.884 21.405 -99.200 -91.000 HIS 20 0.900 12.894 -23.914 14.883 -99.200 -91.000 PHE 57 1.000 7.408 -4.349 -14.583 -99.200 -91.000 TYR 58 0.840 4.723 -3.497 -6.164 -99.200 -91.000 PHE 79 1.000 -5.422 -12.558 -2.962 -99.200 -91.000 HIS 80 0.900 -5.531 -19.186 -5.802 -99.200 -91.000 TYR 84 0.840 -1.677 -21.547 -8.209 -99.200 -91.000 PHE 93 1.000 5.879 -13.705 -10.009 -99.200 -91.000 TYR 137 0.840 -3.455 -22.138 -1.763 -99.200 -91.000 PHE 144 1.000 5.329 -18.386 4.988 -99.200 -91.000 TRP 147 1.040 -7.622 -16.635 9.754 -99.200 -91.000 TRP6 147 1.020 -9.125 -18.041 8.586 -99.200 -91.000 HIS 156 0.900 -19.159 0.448 25.332 -99.200 -91.000 TYR 173 0.840 -4.388 -19.955 9.724 -99.200 -91.000 HIS 196 0.900 -5.469 2.727 21.454 -99.200 -91.000 TYR 203 0.840 -6.302 -4.773 30.772 -99.200 -91.000 TYR 213 0.840 0.320 -18.106 21.745 -99.200 -91.000 HIS 219 0.900 -9.880 -25.221 18.297 -99.200 -91.000 HIS 220 0.900 -6.380 -31.392 21.374 -99.200 -91.000 TYR 222 0.840 5.151 -29.269 16.844 -99.200 -91.000 HIS 237 0.900 -2.580 7.759 12.980 -99.200 -91.000 TYR 243 0.840 3.378 6.537 25.425 -99.200 -91.000 HIS 245 0.900 11.706 5.118 18.082 -99.200 -91.000 PHE 269 1.000 7.112 -7.763 17.213 -99.200 -91.000 TRP 295 1.040 8.695 -16.243 22.481 -99.200 -91.000 TRP6 295 1.020 8.878 -14.080 23.429 -99.200 -91.000 PHE 299 1.000 12.094 -8.338 8.123 -99.200 -91.000 TYR 301 0.840 8.233 -4.578 9.549 -99.200 -91.000 TRP 313 1.040 6.817 0.191 -11.173 -99.200 -91.000 TRP6 313 1.020 4.679 -0.698 -10.679 -99.200 -91.000 TYR 327 0.840 12.266 -6.010 -1.343 -99.200 -91.000 TYR 342 0.840 17.981 0.659 10.792 -99.200 -91.000 PHE 357 1.000 -4.199 5.158 11.013 -99.200 -91.000 HIS 361 0.900 -3.997 -2.150 5.142 -99.200 -91.000 TYR 363 0.840 -3.203 -7.307 4.867 -99.200 -91.000