============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 15 1.000 33.393 55.341 40.940 -99.200 -91.000 PHE 17 1.000 26.403 56.952 46.750 -99.200 -91.000 TYR 29 0.840 21.434 53.050 47.771 -99.200 -91.000 PHE 37 1.000 29.846 54.526 44.713 -99.200 -91.000 TRP 48 1.040 12.763 76.016 43.611 -99.200 -91.000 TRP6 48 1.020 13.697 77.937 42.558 -99.200 -91.000 PHE 58 1.000 14.074 78.001 51.416 -99.200 -91.000 PHE 60 1.000 17.127 73.933 53.468 -99.200 -91.000 TYR 69 0.840 26.275 57.786 53.126 -99.200 -91.000 TYR 78 0.840 29.215 68.303 42.222 -99.200 -91.000 HIS 80 0.900 22.170 67.799 40.055 -99.200 -91.000 TRP 84 1.040 17.577 70.901 35.748 -99.200 -91.000 TRP6 84 1.020 16.862 68.856 36.727 -99.200 -91.000 HIS 85 0.900 15.156 72.358 31.978 -99.200 -91.000 TRP 91 1.040 6.881 77.582 44.998 -99.200 -91.000 TRP6 91 1.020 8.473 79.348 45.033 -99.200 -91.000 PHE 100 1.000 11.497 82.478 37.494 -99.200 -91.000 HIS 107 0.900 15.742 76.891 45.616 -99.200 -91.000 HIS 114 0.900 19.980 73.830 55.799 -99.200 -91.000 PHE 115 1.000 21.960 71.439 52.275 -99.200 -91.000 TRP 122 1.040 26.125 74.629 46.494 -99.200 -91.000 TRP6 122 1.020 24.116 73.382 46.693 -99.200 -91.000 PHE 129 1.000 25.141 77.258 27.562 -99.200 -91.000 PHE 141 1.000 15.202 79.057 36.930 -99.200 -91.000 TYR 149 0.840 19.203 81.270 33.514 -99.200 -91.000 PHE 154 1.000 27.748 79.692 37.923 -99.200 -91.000 TYR 171 0.840 20.988 67.011 28.343 -99.200 -91.000 TYR 184 0.840 36.301 77.186 24.901 -99.200 -91.000 PHE 190 1.000 29.164 83.497 33.462 -99.200 -91.000 PHE 202 1.000 32.728 68.899 30.479 -99.200 -91.000 HIS 205 0.900 22.701 61.275 32.698 -99.200 -91.000 PHE 215 1.000 33.811 62.910 28.213 -99.200 -91.000 PHE 222 1.000 34.175 73.452 28.260 -99.200 -91.000 TYR 254 0.840 30.205 52.707 33.433 -99.200 -91.000 TRP 273 1.040 21.686 60.536 38.071 -99.200 -91.000 TRP6 273 1.020 22.500 62.390 39.320 -99.200 -91.000 TYR 279 0.840 16.530 50.671 44.407 -99.200 -91.000 TRP 281 1.040 18.685 58.577 34.754 -99.200 -91.000 TRP6 281 1.020 18.018 59.931 32.913 -99.200 -91.000 PHE 286 1.000 16.718 58.068 27.871 -99.200 -91.000 TRP 295 1.040 27.931 47.093 42.582 -99.200 -91.000 TRP6 295 1.020 29.161 49.118 42.579 -99.200 -91.000 TYR 299 0.840 21.699 46.233 45.635 -99.200 -91.000 TYR 305 0.840 34.139 46.854 41.401 -99.200 -91.000 PHE 312 1.000 38.788 56.377 39.098 -99.200 -91.000