============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 17 1.000 56.461 37.164 43.487 -99.200 -91.000 TYR 65 0.840 63.153 37.632 39.833 -99.200 -91.000 PHE 74 1.000 57.317 33.747 52.405 -99.200 -91.000 PHE 119 1.000 57.875 27.650 66.529 -99.200 -91.000 PHE 162 1.000 69.452 23.389 72.092 -99.200 -91.000 TYR 312 0.840 45.253 25.722 89.405 -99.200 -91.000 TYR 316 0.840 45.419 16.370 90.623 -99.200 -91.000 PHE 317 1.000 44.753 9.802 91.855 -99.200 -91.000 PHE 336 1.000 41.201 21.728 89.636 -99.200 -91.000 PHE 337 1.000 38.545 18.476 98.262 -99.200 -91.000 TRP 356 1.040 37.030 26.054 86.871 -99.200 -91.000 TRP6 356 1.020 37.926 24.626 85.197 -99.200 -91.000 HIS 361 0.900 37.470 8.495 91.953 -99.200 -91.000 TRP 386 1.040 30.235 6.714 103.858 -99.200 -91.000 TRP6 386 1.020 29.299 7.888 102.019 -99.200 -91.000 TYR 393 0.840 22.439 -11.149 111.075 -99.200 -91.000 TYR 422 0.840 15.459 4.999 100.376 -99.200 -91.000 TRP 429 1.040 20.661 -4.954 102.995 -99.200 -91.000 TRP6 429 1.020 21.284 -2.889 104.001 -99.200 -91.000 TYR 434 0.840 27.553 -12.138 110.835 -99.200 -91.000 TYR 440 0.840 23.617 3.104 101.194 -99.200 -91.000 PHE 442 1.000 26.182 8.433 96.987 -99.200 -91.000 PHE 455 1.000 26.953 13.246 96.873 -99.200 -91.000