============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 2 0.840 6.812 33.505 83.624 -99.200 -91.000 PHE 8 1.000 18.097 22.372 81.142 -99.200 -91.000 PHE 11 1.000 23.330 23.251 77.853 -99.200 -91.000 TYR 18 0.840 31.046 27.552 79.150 -99.200 -91.000 TYR 19 0.840 20.130 27.384 79.420 -99.200 -91.000 TYR 28 0.840 21.305 31.922 76.315 -99.200 -91.000 PHE 59 1.000 33.363 28.741 83.326 -99.200 -91.000 PHE 61 1.000 26.681 35.876 90.853 -99.200 -91.000 HIS 71 0.900 11.835 40.395 76.143 -99.200 -91.000 HIS 73 0.900 7.883 42.467 78.379 -99.200 -91.000 PHE 74 1.000 7.155 39.173 84.956 -99.200 -91.000 HIS 76 0.900 12.696 37.349 79.154 -99.200 -91.000 TYR 91 0.840 20.757 46.027 83.749 -99.200 -91.000 PHE 109 1.000 4.552 48.172 74.553 -99.200 -91.000 HIS 110 0.900 0.173 44.834 77.200 -99.200 -91.000 TYR 111 0.840 2.519 43.540 80.234 -99.200 -91.000 TYR 118 0.840 4.240 48.533 88.500 -99.200 -91.000 PHE 119 1.000 11.567 45.351 85.706 -99.200 -91.000 HIS 129 0.900 23.137 54.184 71.489 -99.200 -91.000 HIS 144 0.900 22.324 42.156 64.981 -99.200 -91.000 HIS 149 0.900 7.649 40.193 73.872 -99.200 -91.000 TRP 156 1.040 21.947 40.730 73.639 -99.200 -91.000 TRP6 156 1.020 23.585 42.436 73.563 -99.200 -91.000 HIS 163 0.900 33.493 19.736 68.845 -99.200 -91.000 TYR 167 0.840 28.962 25.509 63.801 -99.200 -91.000 TYR 189 0.840 6.139 50.139 70.647 -99.200 -91.000 TYR 196 0.840 5.497 42.812 67.561 -99.200 -91.000 HIS 198 0.900 14.001 47.277 61.259 -99.200 -91.000 PHE 211 1.000 15.738 28.542 67.328 -99.200 -91.000 HIS 215 0.900 10.325 32.946 77.939 -99.200 -91.000 PHE 219 1.000 17.091 27.525 73.396 -99.200 -91.000 TYR 225 0.840 21.439 18.820 79.514 -99.200 -91.000 PHE 236 1.000 21.705 22.976 72.948 -99.200 -91.000 TYR 245 0.840 10.857 30.895 67.711 -99.200 -91.000 PHE 253 1.000 3.177 41.930 63.479 -99.200 -91.000 TYR 254 0.840 2.623 40.572 58.506 -99.200 -91.000