============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 25 1.000 60.733 15.098 6.017 -99.200 -91.000 HIS 29 0.900 52.180 30.732 9.485 -99.200 -91.000 PHE 31 1.000 49.077 33.431 11.195 -99.200 -91.000 TYR 32 0.840 51.168 33.989 3.778 -99.200 -91.000 PHE 48 1.000 56.228 13.766 6.316 -99.200 -91.000 PHE 59 1.000 48.811 15.151 9.974 -99.200 -91.000 TRP 74 1.040 58.792 13.807 17.478 -99.200 -91.000 TRP6 74 1.020 57.291 12.831 19.006 -99.200 -91.000 TRP 90 1.040 54.327 9.513 8.824 -99.200 -91.000 TRP6 90 1.020 52.049 9.167 9.194 -99.200 -91.000 TYR 102 0.840 43.982 12.098 20.079 -99.200 -91.000 PHE 113 1.000 49.196 30.083 16.198 -99.200 -91.000 HIS 123 0.900 65.914 14.967 30.982 -99.200 -91.000 PHE 125 1.000 58.558 14.719 30.555 -99.200 -91.000 TYR 127 0.840 60.811 19.582 27.689 -99.200 -91.000 TYR 156 0.840 54.652 31.044 37.703 -99.200 -91.000 HIS 186 0.900 50.880 43.706 23.268 -99.200 -91.000 TRP 200 1.040 71.224 25.416 30.834 -99.200 -91.000 TRP6 200 1.020 70.121 26.343 32.686 -99.200 -91.000 TYR 202 0.840 69.438 28.583 26.049 -99.200 -91.000 HIS 206 0.900 54.487 40.658 20.534 -99.200 -91.000 TYR 210 0.840 62.908 35.756 30.692 -99.200 -91.000 TYR 234 0.840 71.926 32.774 27.662 -99.200 -91.000 HIS 249 0.900 76.513 25.676 24.638 -99.200 -91.000 TYR 252 0.840 73.292 31.432 15.099 -99.200 -91.000 HIS 258 0.900 65.843 46.547 14.800 -99.200 -91.000 TYR 271 0.840 69.815 40.729 19.243 -99.200 -91.000 TRP 282 1.040 57.663 36.489 10.715 -99.200 -91.000 TRP6 282 1.020 56.448 37.976 12.059 -99.200 -91.000 PHE 286 1.000 66.692 31.587 12.786 -99.200 -91.000 PHE 288 1.000 72.603 25.679 13.778 -99.200 -91.000 TYR 293 0.840 76.729 26.109 4.426 -99.200 -91.000 TYR 295 0.840 70.301 24.313 5.208 -99.200 -91.000 PHE 296 1.000 68.248 32.158 7.399 -99.200 -91.000 HIS 302 0.900 56.389 41.761 7.694 -99.200 -91.000 HIS 303 0.900 54.451 43.288 4.269 -99.200 -91.000 TYR 318 0.840 55.319 33.718 0.215 -99.200 -91.000 TYR 319 0.840 63.492 34.452 -1.431 -99.200 -91.000 PHE 321 1.000 66.844 33.901 1.976 -99.200 -91.000