============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TRP 15 1.040 11.484 50.299 57.224 -99.200 -91.000 TRP6 15 1.020 13.028 49.849 55.492 -99.200 -91.000 PHE 28 1.000 17.471 51.189 44.491 -99.200 -91.000 HIS 38 0.900 33.658 35.250 47.147 -99.200 -91.000 PHE 39 1.000 29.130 36.493 54.207 -99.200 -91.000 TYR 40 0.840 28.843 32.688 49.388 -99.200 -91.000 PHE 50 1.000 36.648 35.536 66.483 -99.200 -91.000 PHE 68 1.000 25.482 51.926 66.599 -99.200 -91.000 TYR 77 0.840 32.889 45.572 65.668 -99.200 -91.000 HIS 79 0.900 42.815 48.259 63.730 -99.200 -91.000 TYR 80 0.840 41.571 43.130 66.970 -99.200 -91.000 TYR 92 0.840 10.785 45.318 65.735 -99.200 -91.000 PHE 93 1.000 17.433 43.901 66.005 -99.200 -91.000 PHE 97 1.000 18.634 48.957 54.047 -99.200 -91.000 PHE 99 1.000 23.651 53.611 61.565 -99.200 -91.000 PHE 116 1.000 14.836 40.936 61.688 -99.200 -91.000 TYR 121 0.840 13.092 48.577 47.889 -99.200 -91.000 TYR 124 0.840 17.515 43.811 42.578 -99.200 -91.000 TYR 128 0.840 21.685 53.515 46.020 -99.200 -91.000 TYR 129 0.840 21.495 52.970 51.064 -99.200 -91.000 TYR 146 0.840 18.106 29.973 50.653 -99.200 -91.000 HIS 154 0.900 23.960 32.839 45.440 -99.200 -91.000 HIS 207 0.900 34.003 19.292 51.562 -99.200 -91.000 TYR 220 0.840 39.559 32.836 74.307 -99.200 -91.000 HIS 228 0.900 37.505 22.063 70.375 -99.200 -91.000 PHE 229 1.000 30.736 21.001 69.436 -99.200 -91.000 PHE 233 1.000 32.446 31.088 67.914 -99.200 -91.000 HIS 242 0.900 32.112 45.335 77.964 -99.200 -91.000 HIS 246 0.900 42.008 47.962 69.592 -99.200 -91.000