============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 6 0.900 46.727 71.410 8.926 -99.200 -91.000 HIS 8 0.900 54.307 66.108 14.618 -99.200 -91.000 TRP 24 1.040 44.501 63.657 12.636 -99.200 -91.000 TRP6 24 1.020 44.982 62.968 10.418 -99.200 -91.000 PHE 32 1.000 45.635 60.692 5.501 -99.200 -91.000 HIS 34 0.900 40.090 67.425 -0.796 -99.200 -91.000 PHE 44 1.000 48.535 59.005 -10.956 -99.200 -91.000 HIS 66 0.900 31.258 57.332 -2.890 -99.200 -91.000 TYR 67 0.840 35.891 63.559 1.451 -99.200 -91.000 PHE 69 1.000 40.232 58.476 -1.310 -99.200 -91.000 HIS 71 0.900 40.937 52.522 -10.341 -99.200 -91.000 HIS 110 0.900 44.021 45.620 25.916 -99.200 -91.000 PHE 116 1.000 39.659 40.322 6.297 -99.200 -91.000 PHE 130 1.000 29.919 30.498 9.563 -99.200 -91.000 HIS 135 0.900 37.825 26.139 -0.351 -99.200 -91.000 TYR 142 0.840 25.891 17.547 10.607 -99.200 -91.000 TRP 145 1.040 23.722 30.052 15.775 -99.200 -91.000 TRP6 145 1.020 21.352 30.140 15.753 -99.200 -91.000 PHE 154 1.000 19.119 29.207 11.374 -99.200 -91.000 PHE 162 1.000 29.993 24.550 5.621 -99.200 -91.000 HIS 194 0.900 31.555 13.211 10.250 -99.200 -91.000 HIS 199 0.900 27.670 31.707 13.931 -99.200 -91.000 PHE 205 1.000 17.740 41.394 19.406 -99.200 -91.000 TYR 223 0.840 35.196 17.054 22.119 -99.200 -91.000 HIS 227 0.900 34.652 29.765 20.069 -99.200 -91.000 TYR 233 0.840 24.102 43.880 19.795 -99.200 -91.000 HIS 242 0.900 38.171 43.489 29.383 -99.200 -91.000 PHE 256 1.000 38.114 39.291 17.693 -99.200 -91.000 PHE 263 1.000 34.498 50.871 15.174 -99.200 -91.000 PHE 275 1.000 42.310 36.191 19.558 -99.200 -91.000 PHE 279 1.000 40.947 30.869 10.042 -99.200 -91.000 TYR 287 0.840 35.288 40.344 -1.166 -99.200 -91.000 TYR 311 0.840 35.238 53.436 19.691 -99.200 -91.000 PHE 322 1.000 23.075 47.988 30.875 -99.200 -91.000 TYR 324 0.840 18.771 58.704 32.775 -99.200 -91.000 HIS 336 0.900 3.025 51.728 33.740 -99.200 -91.000 HIS 345 0.900 26.116 36.440 34.354 -99.200 -91.000 HIS 360 0.900 -5.799 40.825 30.029 -99.200 -91.000 HIS 361 0.900 -6.471 33.814 25.600 -99.200 -91.000 PHE 373 1.000 7.457 51.604 13.088 -99.200 -91.000 HIS 394 0.900 15.685 25.485 13.950 -99.200 -91.000 PHE 396 1.000 15.150 29.635 14.696 -99.200 -91.000 PHE 399 1.000 12.306 34.242 15.000 -99.200 -91.000 HIS 402 0.900 16.622 35.618 21.699 -99.200 -91.000 TYR 406 0.840 12.415 34.390 29.415 -99.200 -91.000 TYR 410 0.840 11.572 39.066 26.452 -99.200 -91.000 PHE 427 1.000 11.891 52.570 26.120 -99.200 -91.000