============================================================================= 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 33.697 16.079 60.325 -99.200 -91.000 TYR 18 0.840 36.912 22.855 65.048 -99.200 -91.000 PHE 21 1.000 44.760 12.618 63.745 -99.200 -91.000 PHE 26 1.000 40.936 15.497 63.489 -99.200 -91.000 TYR 35 0.840 45.797 29.438 63.445 -99.200 -91.000 PHE 68 1.000 60.409 3.931 66.047 -99.200 -91.000 TRP 73 1.040 54.478 3.134 61.403 -99.200 -91.000 TRP6 73 1.020 53.060 2.944 59.518 -99.200 -91.000 TYR 86 0.840 51.200 0.312 47.401 -99.200 -91.000 HIS 95 0.900 37.717 11.042 51.563 -99.200 -91.000 TYR 111 0.840 38.270 21.665 41.960 -99.200 -91.000 HIS 118 0.900 48.368 23.077 44.912 -99.200 -91.000 PHE 126 1.000 51.074 9.933 51.846 -99.200 -91.000 TYR 128 0.840 58.901 6.690 44.059 -99.200 -91.000 PHE 129 1.000 58.998 8.466 48.757 -99.200 -91.000 TRP 132 1.040 61.394 3.636 46.863 -99.200 -91.000 TRP6 132 1.020 63.202 2.231 46.214 -99.200 -91.000 TRP 169 1.040 53.733 30.316 53.442 -99.200 -91.000 TRP6 169 1.020 53.802 31.430 51.350 -99.200 -91.000 TYR 171 0.840 53.242 23.843 44.819 -99.200 -91.000 TRP 178 1.040 56.384 16.452 47.192 -99.200 -91.000 TRP6 178 1.020 57.878 18.057 46.311 -99.200 -91.000 PHE 205 1.000 47.999 12.915 55.525 -99.200 -91.000 HIS 236 0.900 60.005 16.069 73.157 -99.200 -91.000 PHE 244 1.000 62.334 25.252 58.165 -99.200 -91.000 HIS 253 0.900 66.261 29.848 66.556 -99.200 -91.000 PHE 279 1.000 72.609 29.373 25.890 -99.200 -91.000 PHE 296 1.000 54.102 35.271 34.944 -99.200 -91.000 PHE 297 1.000 52.542 24.765 38.363 -99.200 -91.000 PHE 310 1.000 71.077 35.357 34.231 -99.200 -91.000 HIS 316 0.900 65.631 41.545 26.495 -99.200 -91.000 PHE 319 1.000 61.369 35.068 26.943 -99.200 -91.000 HIS 342 0.900 48.122 35.325 38.980 -99.200 -91.000 HIS 347 0.900 50.911 34.203 53.856 -99.200 -91.000 HIS 350 0.900 54.315 35.796 49.223 -99.200 -91.000 TYR 357 0.840 61.287 40.855 44.711 -99.200 -91.000 PHE 380 1.000 44.473 38.955 51.751 -99.200 -91.000 PHE 381 1.000 42.314 37.332 43.508 -99.200 -91.000 PHE 382 1.000 52.333 41.683 43.055 -99.200 -91.000 PHE 387 1.000 60.375 44.835 38.379 -99.200 -91.000 HIS 393 0.900 73.459 47.228 40.286 -99.200 -91.000 TYR 395 0.840 65.499 43.208 47.768 -99.200 -91.000 PHE 402 1.000 57.678 30.652 47.860 -99.200 -91.000 PHE 411 1.000 72.591 34.514 27.282 -99.200 -91.000 PHE 428 1.000 68.329 32.178 47.689 -99.200 -91.000 PHE 435 1.000 63.182 27.150 28.562 -99.200 -91.000 TYR 444 0.840 80.616 24.328 29.231 -99.200 -91.000 PHE 455 1.000 63.116 21.638 36.329 -99.200 -91.000 TYR 459 0.840 62.237 26.307 35.717 -99.200 -91.000 PHE 468 1.000 62.768 20.505 45.617 -99.200 -91.000 PHE 471 1.000 73.659 20.639 44.285 -99.200 -91.000 PHE 476 1.000 71.799 20.448 55.537 -99.200 -91.000 TYR 488 0.840 62.076 11.528 56.554 -99.200 -91.000 PHE 496 1.000 76.427 -12.010 62.610 -99.200 -91.000 TYR 498 0.840 81.366 -17.177 60.111 -99.200 -91.000