============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TYR 4 0.840 111.418 -16.358 28.663 -99.200 -91.000 TYR 18 0.840 108.482 -22.465 23.059 -99.200 -91.000 PHE 21 1.000 100.967 -19.868 33.428 -99.200 -91.000 PHE 26 1.000 104.628 -19.818 30.368 -99.200 -91.000 TYR 35 0.840 99.090 -22.816 17.008 -99.200 -91.000 PHE 68 1.000 86.150 -21.504 43.496 -99.200 -91.000 TRP 73 1.040 91.721 -16.511 42.938 -99.200 -91.000 TRP6 73 1.020 92.973 -14.533 42.567 -99.200 -91.000 TYR 86 0.840 96.170 -0.464 41.346 -99.200 -91.000 HIS 95 0.900 107.049 -7.158 32.216 -99.200 -91.000 TYR 111 0.840 105.070 0.238 20.193 -99.200 -91.000 HIS 118 0.900 95.310 -3.646 19.897 -99.200 -91.000 PHE 126 1.000 93.870 -8.194 34.244 -99.200 -91.000 TYR 128 0.840 85.660 -0.527 36.646 -99.200 -91.000 PHE 129 1.000 85.818 -5.425 35.733 -99.200 -91.000 TRP 132 1.040 83.640 -2.809 40.383 -99.200 -91.000 TRP6 132 1.020 81.888 -2.029 41.776 -99.200 -91.000 TRP 169 1.040 90.375 -13.660 14.449 -99.200 -91.000 TRP6 169 1.020 90.114 -11.738 13.091 -99.200 -91.000 TYR 171 0.840 90.235 -4.218 19.468 -99.200 -91.000 TRP 178 1.040 87.871 -5.102 27.340 -99.200 -91.000 TRP6 178 1.020 86.267 -4.659 25.647 -99.200 -91.000 PHE 205 1.000 96.991 -12.024 31.813 -99.200 -91.000 HIS 236 0.900 86.377 -30.734 32.683 -99.200 -91.000 PHE 244 1.000 82.102 -17.473 21.442 -99.200 -91.000 HIS 253 0.900 78.928 -26.566 18.441 -99.200 -91.000 PHE 279 1.000 69.445 12.327 12.002 -99.200 -91.000 PHE 296 1.000 88.143 3.699 6.586 -99.200 -91.000 PHE 297 1.000 90.532 2.135 17.370 -99.200 -91.000 PHE 310 1.000 71.207 3.123 7.521 -99.200 -91.000 HIS 316 0.900 75.795 9.951 -0.321 -99.200 -91.000 PHE 319 1.000 80.472 10.864 5.832 -99.200 -91.000 HIS 342 0.900 94.468 0.076 6.891 -99.200 -91.000 HIS 347 0.900 93.041 -14.585 10.549 -99.200 -91.000 HIS 350 0.900 89.059 -10.525 8.504 -99.200 -91.000 TYR 357 0.840 81.551 -7.463 3.192 -99.200 -91.000 PHE 380 1.000 99.090 -12.687 5.179 -99.200 -91.000 PHE 381 1.000 100.485 -4.200 5.477 -99.200 -91.000 PHE 382 1.000 90.303 -5.157 1.433 -99.200 -91.000 PHE 387 1.000 81.704 -1.853 -1.804 -99.200 -91.000 HIS 393 0.900 68.521 -5.077 -2.904 -99.200 -91.000 TYR 395 0.840 77.446 -11.153 1.667 -99.200 -91.000 PHE 402 1.000 85.987 -8.473 13.524 -99.200 -91.000 PHE 411 1.000 69.288 9.962 7.158 -99.200 -91.000 PHE 428 1.000 74.758 -9.806 13.170 -99.200 -91.000 PHE 435 1.000 79.147 10.645 14.053 -99.200 -91.000 TYR 444 0.840 62.011 9.552 18.113 -99.200 -91.000 PHE 455 1.000 80.087 4.051 20.865 -99.200 -91.000 TYR 459 0.840 80.663 3.844 16.072 -99.200 -91.000 PHE 468 1.000 81.347 -4.094 23.626 -99.200 -91.000 PHE 471 1.000 70.184 -4.065 23.987 -99.200 -91.000 PHE 476 1.000 72.781 -14.940 26.306 -99.200 -91.000 TYR 488 0.840 83.248 -13.739 34.332 -99.200 -91.000 PHE 496 1.000 70.990 -16.230 59.681 -99.200 -91.000 TYR 498 0.840 66.203 -13.139 64.662 -99.200 -91.000