============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 4 0.840 73.678 56.711 19.801 -99.200 -91.000 PHE 20 1.000 74.430 41.752 45.641 -99.200 -91.000 TRP 39 1.040 79.112 65.585 37.680 -99.200 -91.000 TRP6 39 1.020 79.454 67.898 37.287 -99.200 -91.000 HIS 43 0.900 69.487 75.703 48.209 -99.200 -91.000 HIS 45 0.900 79.434 72.582 44.252 -99.200 -91.000 TRP 49 1.040 78.077 63.791 47.575 -99.200 -91.000 TRP6 49 1.020 76.457 65.116 46.445 -99.200 -91.000 TYR 54 0.840 82.901 49.432 56.094 -99.200 -91.000 PHE 70 1.000 71.999 43.012 64.697 -99.200 -91.000 PHE 86 1.000 75.958 43.284 56.246 -99.200 -91.000 TYR 96 0.840 79.893 59.364 56.604 -99.200 -91.000 TYR 109 0.840 67.137 61.815 54.156 -99.200 -91.000 PHE 115 1.000 76.777 60.049 46.121 -99.200 -91.000 PHE 118 1.000 76.878 53.310 43.314 -99.200 -91.000 TRP 123 1.040 69.702 48.076 35.498 -99.200 -91.000 TRP6 123 1.020 69.239 46.200 36.886 -99.200 -91.000 TRP 131 1.040 68.823 53.763 50.093 -99.200 -91.000 TRP6 131 1.020 68.340 55.572 48.651 -99.200 -91.000 TYR 138 0.840 67.124 55.903 61.256 -99.200 -91.000 PHE 142 1.000 76.196 50.075 61.377 -99.200 -91.000 HIS 159 0.900 74.330 45.318 52.170 -99.200 -91.000 TYR 162 0.840 80.012 42.919 38.025 -99.200 -91.000 PHE 163 1.000 71.803 41.814 38.205 -99.200 -91.000