============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 29 0.900 29.963 17.399 -21.397 -99.200 -91.000 HIS 32 0.900 25.442 7.634 -22.488 -99.200 -91.000 PHE 34 1.000 19.843 11.310 -25.278 -99.200 -91.000 TYR 39 0.840 15.256 15.346 -26.231 -99.200 -91.000 TYR 43 0.840 9.857 13.179 -24.404 -99.200 -91.000 PHE 44 1.000 6.418 12.581 -28.650 -99.200 -91.000 HIS 51 0.900 0.562 5.517 -28.423 -99.200 -91.000 PHE 59 1.000 9.416 17.341 -27.143 -99.200 -91.000 HIS 61 0.900 6.141 25.390 -34.143 -99.200 -91.000 TYR 72 0.840 27.318 17.120 -24.215 -99.200 -91.000 PHE 73 1.000 19.445 14.822 -21.616 -99.200 -91.000 TYR 75 0.840 18.363 10.227 -19.834 -99.200 -91.000 PHE 79 1.000 21.083 4.239 -16.573 -99.200 -91.000 TYR 83 0.840 16.593 2.609 -13.622 -99.200 -91.000 TYR 89 0.840 1.150 12.293 -17.270 -99.200 -91.000 TRP 120 1.040 42.822 27.591 -5.597 -99.200 -91.000 TRP6 120 1.020 42.497 26.147 -3.740 -99.200 -91.000 HIS 129 0.900 34.145 28.418 4.844 -99.200 -91.000 PHE 132 1.000 26.730 18.888 -4.785 -99.200 -91.000 PHE 145 1.000 28.781 12.233 4.605 -99.200 -91.000 HIS 154 0.900 42.236 18.667 6.381 -99.200 -91.000 TYR 160 0.840 28.174 27.077 4.332 -99.200 -91.000 TYR 163 0.840 19.642 18.479 -0.984 -99.200 -91.000 TYR 167 0.840 15.838 30.669 -6.823 -99.200 -91.000 TYR 175 0.840 23.784 29.683 0.544 -99.200 -91.000 HIS 207 0.900 2.740 18.099 -16.487 -99.200 -91.000 PHE 217 1.000 14.489 22.679 -17.131 -99.200 -91.000 PHE 239 1.000 34.913 36.973 -14.283 -99.200 -91.000 HIS 257 0.900 3.098 25.726 -9.975 -99.200 -91.000 HIS 259 0.900 3.997 21.734 -6.755 -99.200 -91.000 PHE 267 1.000 9.266 23.323 -16.110 -99.200 -91.000 TYR 268 0.840 2.546 21.138 -12.392 -99.200 -91.000 PHE 289 1.000 25.570 48.739 -11.627 -99.200 -91.000 TRP 300 1.040 20.725 48.900 -18.589 -99.200 -91.000 TRP6 300 1.020 21.493 48.800 -16.333 -99.200 -91.000 PHE 304 1.000 31.958 41.389 -16.413 -99.200 -91.000 TRP 305 1.040 25.153 42.691 -19.911 -99.200 -91.000 TRP6 305 1.020 23.691 43.362 -18.167 -99.200 -91.000 HIS 308 0.900 19.428 29.728 -15.740 -99.200 -91.000 PHE 329 1.000 21.821 38.955 -22.626 -99.200 -91.000 TRP 337 1.040 24.328 25.378 -31.156 -99.200 -91.000 TRP6 337 1.020 22.342 25.231 -32.460 -99.200 -91.000 TYR 339 0.840 28.467 22.891 -23.042 -99.200 -91.000 TYR 349 0.840 29.072 23.728 -18.542 -99.200 -91.000 TYR 366 0.840 41.200 36.743 -16.104 -99.200 -91.000 TRP 372 1.040 32.539 48.368 -12.152 -99.200 -91.000 TRP6 372 1.020 32.287 47.606 -9.916 -99.200 -91.000 PHE 378 1.000 17.174 36.026 -15.428 -99.200 -91.000 HIS 390 0.900 36.734 45.681 -10.566 -99.200 -91.000