============================================================================= 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. PHE 19 1.000 41.578 36.531 34.928 -99.200 -91.000 TRP 32 1.040 41.402 34.232 31.186 -99.200 -91.000 TRP6 32 1.020 43.132 35.536 30.190 -99.200 -91.000 HIS 44 0.900 40.146 28.948 48.927 -99.200 -91.000 HIS 55 0.900 45.279 26.312 31.872 -99.200 -91.000 TYR 60 0.840 46.303 32.206 24.970 -99.200 -91.000 PHE 66 1.000 51.932 38.299 29.379 -99.200 -91.000 TYR 87 0.840 33.161 45.484 54.769 -99.200 -91.000 TRP 91 1.040 39.485 39.518 49.622 -99.200 -91.000 TRP6 91 1.020 40.371 40.515 47.662 -99.200 -91.000 PHE 109 1.000 48.227 43.412 40.874 -99.200 -91.000 TRP 124 1.040 43.735 53.626 25.744 -99.200 -91.000 TRP6 124 1.020 44.759 51.651 26.603 -99.200 -91.000 PHE 136 1.000 32.491 55.732 34.280 -99.200 -91.000 HIS 155 0.900 45.434 57.531 41.814 -99.200 -91.000 HIS 166 0.900 30.116 59.748 49.566 -99.200 -91.000 PHE 174 1.000 16.661 62.774 50.991 -99.200 -91.000 HIS 199 0.900 12.354 61.090 52.138 -99.200 -91.000 PHE 204 1.000 1.763 64.650 41.844 -99.200 -91.000 PHE 226 1.000 15.639 57.984 35.818 -99.200 -91.000 PHE 228 1.000 5.278 53.660 37.264 -99.200 -91.000 HIS 234 0.900 1.057 65.092 33.882 -99.200 -91.000 PHE 235 1.000 5.764 61.977 42.898 -99.200 -91.000 PHE 244 1.000 18.472 72.039 41.383 -99.200 -91.000 TYR 245 0.840 19.252 67.614 44.690 -99.200 -91.000 PHE 274 1.000 12.862 60.282 30.602 -99.200 -91.000 TYR 282 0.840 17.713 70.911 36.051 -99.200 -91.000 PHE 283 1.000 28.005 70.638 31.858 -99.200 -91.000 PHE 286 1.000 22.512 74.462 38.667 -99.200 -91.000 PHE 288 1.000 33.175 79.284 33.358 -99.200 -91.000 PHE 318 1.000 54.034 48.374 36.884 -99.200 -91.000