============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 67 rings ring int. center anis. iso. TYR 3 0.840 47.482 12.139 169.797 -99.200 -91.000 HIS 21 0.900 55.288 5.022 172.363 -99.200 -91.000 PHE 33 1.000 54.097 28.043 150.272 -99.200 -91.000 TYR 37 0.840 56.322 31.199 139.273 -99.200 -91.000 TRP 42 1.040 64.790 36.697 138.998 -99.200 -91.000 TRP6 42 1.020 64.803 38.825 140.017 -99.200 -91.000 HIS 45 0.900 58.074 29.623 148.196 -99.200 -91.000 TRP 51 1.040 53.718 33.123 161.341 -99.200 -91.000 TRP6 51 1.020 54.340 31.327 162.742 -99.200 -91.000 TRP 87 1.040 63.442 37.750 160.972 -99.200 -91.000 TRP6 87 1.020 64.363 35.624 160.358 -99.200 -91.000 TYR 96 0.840 63.351 40.686 147.382 -99.200 -91.000 TRP 101 1.040 63.807 24.761 146.783 -99.200 -91.000 TRP6 101 1.020 63.773 23.338 144.905 -99.200 -91.000 HIS 112 0.900 80.623 38.790 139.344 -99.200 -91.000 TYR 121 0.840 87.414 27.907 151.305 -99.200 -91.000 TYR 133 0.840 69.735 23.195 145.448 -99.200 -91.000 PHE 134 1.000 73.904 24.456 146.823 -99.200 -91.000 TRP 141 1.040 69.626 39.698 143.957 -99.200 -91.000 TRP6 141 1.020 67.585 40.622 144.707 -99.200 -91.000 HIS 145 0.900 66.305 44.822 145.693 -99.200 -91.000 PHE 160 1.000 70.597 32.741 156.304 -99.200 -91.000 TRP 166 1.040 59.594 32.922 158.325 -99.200 -91.000 TRP6 166 1.020 59.582 35.110 159.206 -99.200 -91.000 TRP 169 1.040 63.360 35.353 165.508 -99.200 -91.000 TRP6 169 1.020 61.831 37.031 164.923 -99.200 -91.000 HIS 177 0.900 68.733 33.951 164.088 -99.200 -91.000 TYR 181 0.840 75.701 20.447 163.809 -99.200 -91.000 PHE 190 1.000 77.650 24.504 159.764 -99.200 -91.000 HIS 193 0.900 84.641 18.464 155.645 -99.200 -91.000 TRP 197 1.040 77.438 30.158 161.499 -99.200 -91.000 TRP6 197 1.020 75.805 29.574 159.895 -99.200 -91.000 TYR 222 0.840 66.517 21.936 167.820 -99.200 -91.000 PHE 249 1.000 66.563 9.835 162.081 -99.200 -91.000 TYR 263 0.840 60.470 9.508 142.572 -99.200 -91.000 PHE 268 1.000 65.254 17.886 145.956 -99.200 -91.000 TYR 298 0.840 80.128 14.667 157.274 -99.200 -91.000 PHE 305 1.000 67.968 22.934 140.763 -99.200 -91.000 TRP 313 1.040 54.179 24.611 133.067 -99.200 -91.000 TRP6 313 1.020 54.487 23.231 131.154 -99.200 -91.000 TYR 325 0.840 38.333 12.613 133.972 -99.200 -91.000 TYR 329 0.840 41.738 9.641 132.021 -99.200 -91.000 PHE 330 1.000 43.802 13.668 130.537 -99.200 -91.000 TYR 341 0.840 63.303 11.437 124.669 -99.200 -91.000 PHE 346 1.000 58.910 23.374 133.241 -99.200 -91.000 TYR 353 0.840 72.630 16.897 133.173 -99.200 -91.000 TRP 354 1.040 75.338 20.539 140.002 -99.200 -91.000 TRP6 354 1.020 73.616 21.103 141.518 -99.200 -91.000 TYR 357 0.840 73.966 31.021 132.979 -99.200 -91.000 PHE 363 1.000 64.794 19.679 122.957 -99.200 -91.000 HIS 373 0.900 51.371 11.016 121.592 -99.200 -91.000 TYR 384 0.840 63.797 9.260 129.874 -99.200 -91.000 HIS 402 0.900 69.693 -4.837 147.053 -99.200 -91.000 PHE 415 1.000 53.871 6.134 132.454 -99.200 -91.000 PHE 419 1.000 59.940 5.745 131.439 -99.200 -91.000 TYR 443 0.840 60.174 7.774 162.640 -99.200 -91.000 PHE 451 1.000 55.404 9.989 171.771 -99.200 -91.000 TRP 452 1.040 58.496 6.581 169.266 -99.200 -91.000 TRP6 452 1.020 58.035 8.489 167.978 -99.200 -91.000 PHE 468 1.000 55.548 0.106 141.174 -99.200 -91.000 TYR 479 0.840 66.191 4.285 120.192 -99.200 -91.000 TYR 481 0.840 70.088 7.698 130.738 -99.200 -91.000 TRP 484 1.040 67.359 12.414 130.185 -99.200 -91.000 TRP6 484 1.020 65.752 14.041 130.654 -99.200 -91.000 TRP 494 1.040 66.578 29.558 126.163 -99.200 -91.000 TRP6 494 1.020 66.338 29.215 123.844 -99.200 -91.000 HIS 497 0.900 76.542 33.283 130.998 -99.200 -91.000