============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 18 0.840 65.688 139.740 -43.644 -99.200 -91.000 PHE 29 1.000 53.382 144.016 -55.221 -99.200 -91.000 HIS 60 0.900 89.050 126.502 -36.680 -99.200 -91.000 TYR 61 0.840 89.180 132.052 -35.633 -99.200 -91.000 TYR 62 0.840 89.449 126.872 -25.849 -99.200 -91.000 HIS 63 0.900 90.958 122.008 -32.270 -99.200 -91.000 HIS 66 0.900 93.341 124.117 -24.542 -99.200 -91.000 PHE 70 1.000 96.685 130.644 -33.392 -99.200 -91.000 HIS 104 0.900 69.271 151.367 -41.577 -99.200 -91.000 PHE 106 1.000 61.196 144.370 -42.183 -99.200 -91.000 HIS 113 0.900 58.045 145.021 -36.523 -99.200 -91.000 TYR 117 0.840 50.562 133.399 -32.847 -99.200 -91.000 PHE 154 1.000 63.369 110.500 -28.973 -99.200 -91.000 TRP 196 1.040 78.011 123.327 -26.608 -99.200 -91.000 TRP6 196 1.020 78.631 124.975 -25.023 -99.200 -91.000 PHE 208 1.000 65.589 104.545 -36.628 -99.200 -91.000 HIS 211 0.900 73.085 109.274 -43.941 -99.200 -91.000 PHE 225 1.000 81.124 116.248 -41.393 -99.200 -91.000 PHE 234 1.000 80.259 115.100 -32.858 -99.200 -91.000 PHE 236 1.000 79.649 111.253 -35.231 -99.200 -91.000 PHE 282 1.000 54.523 128.197 -34.728 -99.200 -91.000 PHE 307 1.000 57.630 129.397 -54.191 -99.200 -91.000 TYR 315 0.840 50.984 134.650 -53.891 -99.200 -91.000 HIS 328 0.900 71.188 128.195 -48.438 -99.200 -91.000 HIS 347 0.900 62.640 127.142 -62.743 -99.200 -91.000 TYR 350 0.840 62.704 123.701 -53.902 -99.200 -91.000 TYR 358 0.840 78.190 127.572 -42.670 -99.200 -91.000 HIS 360 0.900 88.815 123.796 -39.646 -99.200 -91.000 TRP 365 1.040 75.033 118.254 -50.319 -99.200 -91.000 TRP6 365 1.020 75.458 118.172 -47.976 -99.200 -91.000 TYR 380 0.840 77.828 108.052 -61.287 -99.200 -91.000 PHE 385 1.000 93.875 118.169 -56.503 -99.200 -91.000 PHE 387 1.000 90.046 121.000 -50.251 -99.200 -91.000 HIS 418 0.900 78.084 115.576 -53.721 -99.200 -91.000 TYR 437 0.840 75.566 130.924 -66.411 -99.200 -91.000 HIS 449 0.900 88.960 127.766 -61.134 -99.200 -91.000 HIS 451 0.900 99.395 128.239 -57.326 -99.200 -91.000 PHE 458 1.000 84.012 123.548 -58.239 -99.200 -91.000 PHE 467 1.000 93.516 114.633 -70.117 -99.200 -91.000 PHE 473 1.000 95.950 112.022 -55.489 -99.200 -91.000