============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 20 1.040 17.952 -21.104 30.402 -99.200 -91.000 TRP6 20 1.020 17.471 -18.779 30.348 -99.200 -91.000 TRP 65 1.040 13.207 -17.542 13.007 -99.200 -91.000 TRP6 65 1.020 11.501 -18.606 14.244 -99.200 -91.000 TRP 80 1.040 8.086 -15.119 23.896 -99.200 -91.000 TRP6 80 1.020 9.382 -13.551 22.734 -99.200 -91.000 PHE 81 1.000 -0.522 -11.827 22.958 -99.200 -91.000 TYR 112 0.840 4.232 -0.321 25.108 -99.200 -91.000 PHE 116 1.000 5.364 -2.737 20.832 -99.200 -91.000 TRP 119 1.040 1.773 -4.792 14.693 -99.200 -91.000 TRP6 119 1.020 -0.374 -4.136 13.925 -99.200 -91.000 PHE 120 1.000 6.266 -5.716 14.672 -99.200 -91.000 TYR 128 0.840 0.367 -8.446 2.263 -99.200 -91.000 TRP 157 1.040 18.180 2.714 33.005 -99.200 -91.000 TRP6 157 1.020 16.521 4.164 33.841 -99.200 -91.000 PHE 159 1.000 8.714 2.386 29.482 -99.200 -91.000 PHE 232 1.000 21.632 2.490 22.360 -99.200 -91.000 PHE 263 1.000 1.290 18.024 28.296 -99.200 -91.000 PHE 266 1.000 -1.044 26.373 21.415 -99.200 -91.000 TYR 283 0.840 4.731 14.733 38.033 -99.200 -91.000 TYR 297 0.840 8.134 25.346 25.958 -99.200 -91.000 TYR 303 0.840 3.106 29.742 34.078 -99.200 -91.000 PHE 306 1.000 -0.911 22.793 33.096 -99.200 -91.000 HIS 344 0.900 17.852 19.067 34.568 -99.200 -91.000 PHE 366 1.000 11.286 5.022 47.675 -99.200 -91.000 PHE 367 1.000 14.335 14.738 43.935 -99.200 -91.000 PHE 387 1.000 15.272 9.408 31.157 -99.200 -91.000 PHE 394 1.000 10.636 25.745 29.751 -99.200 -91.000 PHE 396 1.000 2.485 29.102 24.636 -99.200 -91.000 PHE 411 1.000 18.166 15.332 22.421 -99.200 -91.000 TYR 416 0.840 3.521 13.951 25.025 -99.200 -91.000 PHE 417 1.000 -1.263 19.965 19.065 -99.200 -91.000 TYR 418 0.840 -3.907 17.832 26.534 -99.200 -91.000 PHE 422 1.000 -9.806 20.511 11.391 -99.200 -91.000 TYR 434 0.840 9.505 17.535 19.096 -99.200 -91.000 HIS 439 0.900 -5.291 17.798 18.964 -99.200 -91.000 PHE 451 1.000 5.537 5.103 20.442 -99.200 -91.000 TYR 466 0.840 4.514 2.736 7.668 -99.200 -91.000 TYR 471 0.840 14.309 -5.722 13.308 -99.200 -91.000 TYR 476 0.840 14.493 -4.374 -10.412 -99.200 -91.000 TYR 481 0.840 7.322 -12.470 -20.958 -99.200 -91.000