============================================================================= 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 15.332 -0.724 27.489 -99.200 -91.000 PHE 6 1.000 21.582 -2.132 23.984 -99.200 -91.000 PHE 32 1.000 16.121 7.506 10.467 -99.200 -91.000 TYR 62 0.840 5.583 22.586 20.313 -99.200 -91.000 HIS 63 0.900 4.840 19.541 16.253 -99.200 -91.000 HIS 80 0.900 1.742 2.316 20.957 -99.200 -91.000 PHE 82 1.000 -5.498 9.915 16.942 -99.200 -91.000 TRP 85 1.040 4.428 1.919 15.147 -99.200 -91.000 TRP6 85 1.020 5.656 1.355 13.200 -99.200 -91.000 TYR 96 0.840 15.557 20.333 20.257 -99.200 -91.000 PHE 111 1.000 4.134 25.447 25.303 -99.200 -91.000 HIS 114 0.900 3.062 26.493 16.724 -99.200 -91.000 HIS 117 0.900 -1.400 24.985 25.913 -99.200 -91.000 HIS 129 0.900 0.140 6.802 31.857 -99.200 -91.000 PHE 139 1.000 10.208 19.745 30.203 -99.200 -91.000 TYR 145 0.840 27.291 25.388 18.328 -99.200 -91.000 TRP 162 1.040 13.787 20.974 35.205 -99.200 -91.000 TRP6 162 1.020 13.415 22.316 33.290 -99.200 -91.000 PHE 170 1.000 8.996 5.401 33.339 -99.200 -91.000 PHE 183 1.000 16.249 5.104 25.844 -99.200 -91.000 PHE 191 1.000 31.618 24.734 26.650 -99.200 -91.000 PHE 207 1.000 17.336 8.830 33.742 -99.200 -91.000 TYR 210 0.840 22.143 6.227 30.871 -99.200 -91.000 PHE 225 1.000 31.132 12.295 12.735 -99.200 -91.000 PHE 230 1.000 34.167 15.715 24.495 -99.200 -91.000 HIS 241 0.900 25.968 4.071 24.499 -99.200 -91.000 TYR 242 0.840 17.131 9.152 20.711 -99.200 -91.000 PHE 263 1.000 22.452 7.093 14.604 -99.200 -91.000 PHE 278 1.000 18.888 11.792 2.176 -99.200 -91.000 TRP 280 1.040 22.918 2.358 -1.528 -99.200 -91.000 TRP6 280 1.020 23.356 2.309 0.793 -99.200 -91.000 PHE 291 1.000 18.188 13.472 -11.460 -99.200 -91.000 HIS 303 0.900 15.179 -3.846 -0.095 -99.200 -91.000 TRP 310 1.040 5.411 4.393 -9.953 -99.200 -91.000 TRP6 310 1.020 4.998 3.283 -7.911 -99.200 -91.000 TYR 314 0.840 4.554 8.760 -12.232 -99.200 -91.000 HIS 316 0.900 11.989 16.362 -13.511 -99.200 -91.000 HIS 317 0.900 4.174 14.791 -14.357 -99.200 -91.000 HIS 333 0.900 14.962 5.993 -2.660 -99.200 -91.000 PHE 337 1.000 20.182 5.635 1.067 -99.200 -91.000 TYR 338 0.840 18.009 8.498 6.487 -99.200 -91.000 PHE 354 1.000 30.291 0.628 11.291 -99.200 -91.000 PHE 357 1.000 28.193 0.046 5.307 -99.200 -91.000 PHE 361 1.000 27.452 5.941 3.509 -99.200 -91.000 TYR 365 0.840 25.729 9.892 0.946 -99.200 -91.000 PHE 366 1.000 30.153 12.382 1.792 -99.200 -91.000