============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 7 1.040 9.471 44.851 54.339 -99.200 -91.000 TRP6 7 1.020 9.228 43.501 56.270 -99.200 -91.000 TRP 9 1.040 0.778 40.959 50.583 -99.200 -91.000 TRP6 9 1.020 -0.412 39.689 52.194 -99.200 -91.000 TYR 23 0.840 8.208 18.537 56.169 -99.200 -91.000 PHE 24 1.000 9.651 20.586 50.214 -99.200 -91.000 PHE 39 1.000 11.315 11.730 41.490 -99.200 -91.000 TYR 40 0.840 13.077 13.425 49.953 -99.200 -91.000 PHE 51 1.000 15.641 31.771 52.707 -99.200 -91.000 TYR 54 0.840 8.915 35.573 47.016 -99.200 -91.000 TYR 61 0.840 9.273 47.214 49.904 -99.200 -91.000 TYR 66 0.840 7.592 43.422 43.131 -99.200 -91.000 TRP 67 1.040 13.324 43.781 36.366 -99.200 -91.000 TRP6 67 1.020 12.049 42.688 34.705 -99.200 -91.000 TYR 70 0.840 9.952 37.166 34.199 -99.200 -91.000 TRP 73 1.040 8.146 33.502 38.826 -99.200 -91.000 TRP6 73 1.020 6.718 35.170 37.936 -99.200 -91.000 PHE 75 1.000 18.714 30.895 37.916 -99.200 -91.000 TYR 118 0.840 -2.242 49.446 27.769 -99.200 -91.000 TYR 120 0.840 4.936 45.970 19.517 -99.200 -91.000 PHE 122 1.000 -2.553 44.099 27.312 -99.200 -91.000 TRP 124 1.040 6.872 41.726 23.345 -99.200 -91.000 TRP6 124 1.020 8.356 40.390 22.080 -99.200 -91.000 TRP 125 1.040 -0.684 37.823 29.003 -99.200 -91.000 TRP6 125 1.020 -2.585 37.082 27.806 -99.200 -91.000 TYR 134 0.840 5.221 22.302 23.187 -99.200 -91.000 TYR 137 0.840 -1.683 19.126 23.239 -99.200 -91.000 PHE 140 1.000 -5.296 17.219 31.592 -99.200 -91.000 PHE 141 1.000 -4.905 16.995 26.320 -99.200 -91.000 PHE 143 1.000 5.931 15.047 30.714 -99.200 -91.000 PHE 158 1.000 1.804 13.339 35.038 -99.200 -91.000 TRP 169 1.040 3.421 25.862 36.572 -99.200 -91.000 TRP6 169 1.020 5.235 25.579 35.089 -99.200 -91.000 TYR 172 0.840 2.753 31.803 38.503 -99.200 -91.000 TRP 176 1.040 2.907 39.769 33.118 -99.200 -91.000 TRP6 176 1.020 2.467 40.928 31.098 -99.200 -91.000 PHE 195 1.000 2.503 37.654 39.533 -99.200 -91.000 PHE 206 1.000 5.516 19.843 41.474 -99.200 -91.000 PHE 217 1.000 10.891 5.955 48.828 -99.200 -91.000