============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 13 1.040 24.486 51.343 39.093 -99.200 -91.000 TRP6 13 1.020 25.969 52.790 37.922 -99.200 -91.000 TRP 15 1.040 20.785 61.515 42.424 -99.200 -91.000 TRP6 15 1.020 20.849 63.513 43.696 -99.200 -91.000 PHE 28 1.000 36.074 46.902 45.709 -99.200 -91.000 TYR 34 0.840 39.952 55.729 41.084 -99.200 -91.000 TRP 45 1.040 31.478 59.399 30.059 -99.200 -91.000 TRP6 45 1.020 29.285 60.266 30.374 -99.200 -91.000 HIS 46 0.900 36.181 51.147 33.340 -99.200 -91.000 PHE 72 1.000 45.608 61.676 46.511 -99.200 -91.000 HIS 75 0.900 41.336 63.093 52.016 -99.200 -91.000 HIS 89 0.900 27.865 61.747 56.890 -99.200 -91.000 PHE 95 1.000 32.765 64.853 45.101 -99.200 -91.000 PHE 117 1.000 42.718 64.674 48.398 -99.200 -91.000 TYR 118 0.840 43.297 71.662 44.364 -99.200 -91.000 TRP 119 1.040 41.411 61.442 42.063 -99.200 -91.000 TRP6 119 1.020 43.705 60.906 41.812 -99.200 -91.000 PHE 121 1.000 37.262 60.240 41.414 -99.200 -91.000 HIS 122 0.900 41.497 63.513 33.805 -99.200 -91.000 HIS 133 0.900 29.783 47.029 36.541 -99.200 -91.000 HIS 155 0.900 -7.788 32.770 44.245 -99.200 -91.000 TYR 163 0.840 -12.111 34.080 58.885 -99.200 -91.000 PHE 176 1.000 -4.973 40.641 43.039 -99.200 -91.000 PHE 181 1.000 -2.274 45.153 40.835 -99.200 -91.000 PHE 185 1.000 1.220 49.673 38.186 -99.200 -91.000 PHE 201 1.000 19.036 51.720 39.377 -99.200 -91.000 TYR 208 0.840 23.138 47.070 40.353 -99.200 -91.000