============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. PHE 5 1.000 -51.696 -37.439 34.871 -99.200 -91.000 TYR 7 0.840 -46.197 -35.545 39.208 -99.200 -91.000 HIS 8 0.900 -44.377 -43.502 40.471 -99.200 -91.000 TYR 20 0.840 -34.247 -33.489 24.159 -99.200 -91.000 TRP 25 1.040 -35.691 -24.093 32.122 -99.200 -91.000 TRP6 25 1.020 -34.701 -23.684 34.181 -99.200 -91.000 HIS 51 0.900 -29.559 -34.102 35.482 -99.200 -91.000 PHE 61 1.000 -45.057 -28.230 52.445 -99.200 -91.000 HIS 65 0.900 -49.980 -27.942 57.120 -99.200 -91.000 TRP 66 1.040 -44.941 -21.967 50.466 -99.200 -91.000 TRP6 66 1.020 -43.109 -23.444 50.296 -99.200 -91.000 PHE 76 1.000 -37.605 -21.452 63.791 -99.200 -91.000 PHE 89 1.000 -29.710 -21.415 75.624 -99.200 -91.000 PHE 103 1.000 -16.624 -28.656 63.673 -99.200 -91.000 HIS 111 0.900 -19.781 -18.111 72.405 -99.200 -91.000 TYR 132 0.840 -40.228 -25.148 58.763 -99.200 -91.000 PHE 153 1.000 -28.471 -27.931 47.108 -99.200 -91.000 HIS 164 0.900 -40.183 -29.104 39.685 -99.200 -91.000 TYR 171 0.840 -44.130 -31.148 28.350 -99.200 -91.000 PHE 174 1.000 -50.288 -32.019 26.593 -99.200 -91.000 TRP 199 1.040 -19.070 -4.100 50.412 -99.200 -91.000 TRP6 199 1.020 -19.663 -2.231 49.093 -99.200 -91.000 TYR 202 0.840 -16.358 -2.649 57.689 -99.200 -91.000 TYR 221 0.840 -19.768 -24.746 38.121 -99.200 -91.000 HIS 224 0.900 -17.164 -19.919 41.024 -99.200 -91.000 TYR 225 0.840 -27.185 -16.660 39.451 -99.200 -91.000 HIS 234 0.900 -26.706 -6.308 45.013 -99.200 -91.000 HIS 235 0.900 -22.486 -1.595 39.938 -99.200 -91.000 TYR 269 0.840 -22.109 -16.498 51.458 -99.200 -91.000 PHE 270 1.000 -17.118 -18.158 58.184 -99.200 -91.000 TYR 274 0.840 -20.384 -27.003 55.818 -99.200 -91.000 TYR 279 0.840 -12.530 -25.656 60.912 -99.200 -91.000 TRP 285 1.040 -9.467 -26.012 64.303 -99.200 -91.000 TRP6 285 1.020 -11.771 -25.465 64.626 -99.200 -91.000 TYR 304 0.840 -26.741 -14.724 63.952 -99.200 -91.000 HIS 305 0.900 -20.263 -23.018 63.024 -99.200 -91.000 PHE 325 1.000 -32.735 -17.736 74.812 -99.200 -91.000 HIS 331 0.900 -43.687 -13.290 66.658 -99.200 -91.000 PHE 339 1.000 -39.269 -25.363 68.990 -99.200 -91.000 TRP 343 1.040 -37.664 -36.192 74.330 -99.200 -91.000 TRP6 343 1.020 -38.540 -37.020 72.275 -99.200 -91.000 PHE 361 1.000 -37.852 -42.310 70.019 -99.200 -91.000 TYR 375 0.840 -32.152 -41.765 60.132 -99.200 -91.000 TYR 390 0.840 -24.105 -39.639 68.931 -99.200 -91.000 PHE 397 1.000 -41.820 -42.659 60.461 -99.200 -91.000 TRP 411 1.040 -37.307 -41.779 32.347 -99.200 -91.000 TRP6 411 1.020 -39.059 -43.308 33.085 -99.200 -91.000 HIS 415 0.900 -44.562 -44.938 45.094 -99.200 -91.000 PHE 423 1.000 -32.441 -20.777 50.993 -99.200 -91.000 TYR 426 0.840 -31.964 -10.417 62.286 -99.200 -91.000 TYR 441 0.840 -39.694 -22.477 46.854 -99.200 -91.000 TYR 451 0.840 -32.278 -45.770 57.985 -99.200 -91.000 PHE 459 1.000 -26.775 -41.920 50.289 -99.200 -91.000 TYR 466 0.840 -49.774 -28.004 41.567 -99.200 -91.000