============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 33 0.840 -1.804 70.579 34.198 -99.200 -91.000 TRP 34 1.040 -4.725 64.715 29.467 -99.200 -91.000 TRP6 34 1.020 -6.823 63.830 30.114 -99.200 -91.000 TRP 36 1.040 1.879 58.186 29.355 -99.200 -91.000 TRP6 36 1.020 0.600 56.456 28.365 -99.200 -91.000 PHE 40 1.000 7.904 49.027 37.893 -99.200 -91.000 TYR 47 0.840 1.601 60.708 38.807 -99.200 -91.000 TYR 50 0.840 2.312 66.907 36.022 -99.200 -91.000 TYR 53 0.840 -4.565 73.166 30.744 -99.200 -91.000 TYR 58 0.840 6.092 69.698 35.443 -99.200 -91.000 TYR 59 0.840 9.424 63.609 30.979 -99.200 -91.000 HIS 60 0.900 10.032 58.269 39.954 -99.200 -91.000 TYR 78 0.840 -1.920 61.087 27.835 -99.200 -91.000 TYR 79 0.840 1.072 60.088 20.586 -99.200 -91.000 TYR 93 0.840 4.511 50.412 30.941 -99.200 -91.000 TYR 94 0.840 -2.719 50.375 35.331 -99.200 -91.000 TRP 98 1.040 -3.343 66.809 37.247 -99.200 -91.000 TRP6 98 1.020 -1.798 68.274 38.274 -99.200 -91.000 TRP 103 1.040 -6.766 55.879 37.494 -99.200 -91.000 TRP6 103 1.020 -4.580 55.109 37.950 -99.200 -91.000 TYR 122 0.840 6.739 18.051 29.571 -99.200 -91.000 TYR 145 0.840 2.948 29.370 28.244 -99.200 -91.000 PHE 146 1.000 7.588 35.569 24.613 -99.200 -91.000 TRP 154 1.040 -7.986 20.265 34.539 -99.200 -91.000 TRP6 154 1.020 -6.289 18.621 34.474 -99.200 -91.000 HIS 164 0.900 -7.346 25.116 43.790 -99.200 -91.000 PHE 166 1.000 -1.537 26.296 41.473 -99.200 -91.000 TYR 175 0.840 5.748 34.222 30.099 -99.200 -91.000 TRP 188 1.040 -7.283 9.203 37.072 -99.200 -91.000 TRP6 188 1.020 -5.270 8.286 37.905 -99.200 -91.000 HIS 199 0.900 1.298 29.721 22.849 -99.200 -91.000