============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 21 1.000 18.679 11.391 -43.899 -99.200 -91.000 HIS 23 0.900 13.892 2.261 -51.027 -99.200 -91.000 HIS 25 0.900 9.517 3.500 -47.484 -99.200 -91.000 PHE 38 1.000 15.978 -2.362 -53.603 -99.200 -91.000 HIS 57 0.900 42.561 -1.100 -44.021 -99.200 -91.000 PHE 61 1.000 26.973 -5.797 -48.699 -99.200 -91.000 HIS 73 0.900 5.138 -2.523 -49.932 -99.200 -91.000 TYR 77 0.840 8.973 -12.895 -57.382 -99.200 -91.000 HIS 92 0.900 34.129 -7.987 -50.342 -99.200 -91.000 PHE 96 1.000 19.572 -9.599 -50.027 -99.200 -91.000 HIS 97 0.900 20.375 -12.933 -41.136 -99.200 -91.000 PHE 121 1.000 15.484 -11.725 -51.192 -99.200 -91.000 PHE 129 1.000 13.001 -10.876 -42.757 -99.200 -91.000 TYR 131 0.840 22.058 -5.548 -46.838 -99.200 -91.000 HIS 132 0.900 25.730 -11.953 -42.599 -99.200 -91.000 TRP 141 1.040 38.769 -9.481 -41.319 -99.200 -91.000 TRP6 141 1.020 39.757 -9.496 -43.454 -99.200 -91.000 HIS 142 0.900 34.889 -10.334 -46.345 -99.200 -91.000 HIS 160 0.900 -2.730 -3.269 -40.510 -99.200 -91.000 TYR 169 0.840 6.972 3.971 -41.843 -99.200 -91.000 TYR 173 0.840 15.354 9.634 -38.946 -99.200 -91.000 TYR 174 0.840 19.700 0.084 -41.390 -99.200 -91.000 PHE 180 1.000 33.639 -0.779 -36.999 -99.200 -91.000 TYR 181 0.840 34.858 -7.326 -32.208 -99.200 -91.000 TYR 190 0.840 41.804 1.836 -30.248 -99.200 -91.000 TYR 193 0.840 46.847 -3.126 -38.798 -99.200 -91.000 TYR 200 0.840 42.304 -13.057 -41.277 -99.200 -91.000 HIS 214 0.900 36.786 1.970 -31.331 -99.200 -91.000 PHE 217 1.000 23.570 3.409 -32.036 -99.200 -91.000 HIS 242 0.900 19.599 -0.360 -32.984 -99.200 -91.000 HIS 252 0.900 15.746 3.737 -22.617 -99.200 -91.000 HIS 257 0.900 8.173 6.158 -22.662 -99.200 -91.000 TYR 260 0.840 1.592 0.498 -31.213 -99.200 -91.000 TRP 262 1.040 6.012 -5.164 -35.303 -99.200 -91.000 TRP6 262 1.020 5.676 -2.836 -35.603 -99.200 -91.000 PHE 267 1.000 7.410 -5.167 -40.017 -99.200 -91.000 TRP 278 1.040 13.697 -1.485 -29.029 -99.200 -91.000 TRP6 278 1.020 13.084 0.646 -28.156 -99.200 -91.000 PHE 279 1.000 18.836 -9.054 -26.176 -99.200 -91.000 PHE 289 1.000 4.176 3.955 -35.379 -99.200 -91.000 TYR 290 0.840 8.066 7.962 -28.355 -99.200 -91.000 PHE 292 1.000 10.403 11.492 -31.226 -99.200 -91.000 TYR 298 0.840 12.876 12.863 -27.193 -99.200 -91.000 TYR 300 0.840 17.646 4.317 -31.120 -99.200 -91.000 HIS 303 0.900 19.770 2.098 -20.467 -99.200 -91.000 PHE 309 1.000 25.491 7.818 -22.853 -99.200 -91.000 HIS 316 0.900 23.090 13.147 -29.132 -99.200 -91.000 PHE 317 1.000 15.307 9.977 -33.258 -99.200 -91.000 TRP 323 1.040 7.744 20.773 -21.099 -99.200 -91.000 TRP6 323 1.020 9.396 19.103 -21.368 -99.200 -91.000