============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 8 1.000 41.378 -5.853 20.925 -99.200 -91.000 TRP 15 1.040 26.330 1.687 17.626 -99.200 -91.000 TRP6 15 1.020 24.394 1.231 16.320 -99.200 -91.000 HIS 16 0.900 30.830 3.560 21.307 -99.200 -91.000 TYR 24 0.840 25.577 14.481 30.467 -99.200 -91.000 PHE 51 1.000 41.138 -6.558 36.382 -99.200 -91.000 HIS 53 0.900 45.889 -15.932 38.380 -99.200 -91.000 PHE 56 1.000 36.770 -11.759 40.967 -99.200 -91.000 HIS 59 0.900 27.681 -14.139 50.209 -99.200 -91.000 HIS 61 0.900 27.985 -13.795 42.827 -99.200 -91.000 PHE 67 1.000 26.023 -1.335 52.976 -99.200 -91.000 TYR 88 0.840 35.507 -10.201 13.972 -99.200 -91.000 TRP 100 1.040 28.590 3.042 39.456 -99.200 -91.000 TRP6 100 1.020 29.998 2.326 37.681 -99.200 -91.000 HIS 110 0.900 29.683 10.328 46.071 -99.200 -91.000 TYR 115 0.840 15.317 11.706 44.921 -99.200 -91.000 PHE 123 1.000 21.099 -2.140 46.500 -99.200 -91.000 TYR 135 0.840 25.861 -17.461 28.737 -99.200 -91.000 TYR 136 0.840 26.373 -9.742 32.686 -99.200 -91.000 PHE 138 1.000 27.007 -8.146 38.145 -99.200 -91.000 TYR 146 0.840 20.274 9.030 39.567 -99.200 -91.000 TRP 148 1.040 19.382 14.211 35.398 -99.200 -91.000 TRP6 148 1.020 21.085 14.690 33.835 -99.200 -91.000 TRP 155 1.040 12.026 13.492 37.290 -99.200 -91.000 TRP6 155 1.020 12.043 12.507 39.438 -99.200 -91.000 HIS 159 0.900 20.845 5.322 35.764 -99.200 -91.000 HIS 161 0.900 25.707 4.749 36.411 -99.200 -91.000 PHE 162 1.000 25.984 -4.148 33.721 -99.200 -91.000 TYR 178 0.840 19.719 3.831 29.926 -99.200 -91.000 PHE 179 1.000 16.451 -2.324 34.867 -99.200 -91.000 TYR 220 0.840 14.104 -6.527 33.569 -99.200 -91.000 PHE 222 1.000 23.349 -4.277 29.087 -99.200 -91.000 HIS 233 0.900 44.416 -9.375 8.412 -99.200 -91.000 PHE 234 1.000 47.971 -11.292 4.276 -99.200 -91.000