============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 27 1.000 -4.215 35.689 41.302 -99.200 -91.000 PHE 29 1.000 -4.179 32.221 47.062 -99.200 -91.000 TYR 32 0.840 -8.401 33.132 39.324 -99.200 -91.000 TRP 33 1.040 -8.740 24.858 40.482 -99.200 -91.000 TRP6 33 1.020 -8.880 22.840 39.259 -99.200 -91.000 TRP 36 1.040 3.708 25.476 44.605 -99.200 -91.000 TRP6 36 1.020 5.602 26.809 45.086 -99.200 -91.000 TRP 47 1.040 1.419 19.991 37.988 -99.200 -91.000 TRP6 47 1.020 0.442 17.995 38.789 -99.200 -91.000 TYR 58 0.840 -9.288 25.270 50.955 -99.200 -91.000 HIS 61 0.900 -5.977 16.272 42.019 -99.200 -91.000 TYR 62 0.840 0.348 16.166 47.071 -99.200 -91.000 PHE 70 1.000 8.539 17.295 46.770 -99.200 -91.000 TYR 82 0.840 2.052 28.906 52.920 -99.200 -91.000 TYR 95 0.840 11.106 22.772 43.189 -99.200 -91.000 TYR 96 0.840 10.121 28.666 37.043 -99.200 -91.000 TYR 108 0.840 -1.245 36.642 34.424 -99.200 -91.000 TRP 109 1.040 3.834 30.024 34.316 -99.200 -91.000 TRP6 109 1.020 4.989 27.967 34.361 -99.200 -91.000 TYR 128 0.840 38.951 37.525 43.535 -99.200 -91.000 TYR 151 0.840 28.845 31.326 42.275 -99.200 -91.000 PHE 152 1.000 27.575 23.566 45.323 -99.200 -91.000 TRP 160 1.040 27.123 45.795 36.936 -99.200 -91.000 TRP6 160 1.020 29.437 46.223 37.163 -99.200 -91.000 TYR 162 0.840 22.947 50.487 45.858 -99.200 -91.000 PHE 180 1.000 34.172 25.972 45.606 -99.200 -91.000 TYR 181 0.840 27.526 25.736 39.892 -99.200 -91.000 TRP 194 1.040 34.616 54.560 36.593 -99.200 -91.000 TRP6 194 1.020 36.781 53.619 36.456 -99.200 -91.000 HIS 205 0.900 25.956 31.813 47.189 -99.200 -91.000