============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. HIS 4 0.900 -19.391 130.227 176.074 -99.200 -91.000 TYR 5 0.840 -16.522 137.250 175.894 -99.200 -91.000 TYR 21 0.840 -26.445 148.446 166.621 -99.200 -91.000 TYR 22 0.840 -26.890 145.662 162.302 -99.200 -91.000 PHE 33 1.000 -11.035 138.744 171.677 -99.200 -91.000 HIS 53 0.900 -28.056 153.980 141.843 -99.200 -91.000 PHE 62 1.000 -22.236 139.719 142.893 -99.200 -91.000 PHE 63 1.000 -28.785 148.269 141.301 -99.200 -91.000 PHE 65 1.000 -25.561 142.261 150.736 -99.200 -91.000 HIS 68 0.900 -31.564 144.664 152.612 -99.200 -91.000 TYR 73 0.840 -25.073 153.566 155.640 -99.200 -91.000 TYR 81 0.840 -26.537 161.962 168.909 -99.200 -91.000 HIS 91 0.900 -23.460 166.960 151.690 -99.200 -91.000 PHE 96 1.000 -25.192 167.149 139.079 -99.200 -91.000 PHE 100 1.000 -14.925 165.400 132.376 -99.200 -91.000 TRP 119 1.040 -28.390 163.040 130.273 -99.200 -91.000 TRP6 119 1.020 -26.206 162.289 130.737 -99.200 -91.000 TYR 120 0.840 -30.011 167.162 136.873 -99.200 -91.000 TYR 131 0.840 -17.414 178.452 141.029 -99.200 -91.000 PHE 137 1.000 -19.207 165.569 125.283 -99.200 -91.000 PHE 141 1.000 -29.478 164.634 141.820 -99.200 -91.000 HIS 147 0.900 -20.711 163.131 151.202 -99.200 -91.000 TYR 151 0.840 -12.323 157.363 163.875 -99.200 -91.000 PHE 152 1.000 -15.812 161.105 163.468 -99.200 -91.000 TYR 157 0.840 -23.071 149.946 162.451 -99.200 -91.000 PHE 169 1.000 -12.064 142.119 175.785 -99.200 -91.000 HIS 171 0.900 -4.495 149.462 171.780 -99.200 -91.000 HIS 176 0.900 -4.622 128.111 165.753 -99.200 -91.000 PHE 185 1.000 -9.192 127.924 174.415 -99.200 -91.000 TRP 194 1.040 -13.634 127.045 176.539 -99.200 -91.000 TRP6 194 1.020 -12.820 125.352 175.094 -99.200 -91.000 HIS 197 0.900 -22.695 130.406 166.172 -99.200 -91.000 TRP 205 1.040 -3.539 143.237 157.330 -99.200 -91.000 TRP6 205 1.020 -4.753 145.270 157.305 -99.200 -91.000 PHE 209 1.000 -7.585 135.278 162.114 -99.200 -91.000 PHE 210 1.000 -11.464 133.377 154.123 -99.200 -91.000 PHE 219 1.000 -9.473 138.219 151.756 -99.200 -91.000 TRP 230 1.040 -8.897 173.521 155.256 -99.200 -91.000 TRP6 230 1.020 -10.664 173.095 156.771 -99.200 -91.000 TYR 241 0.840 -17.536 157.614 141.027 -99.200 -91.000 HIS 242 0.900 -14.710 160.732 133.891 -99.200 -91.000 HIS 244 0.900 -14.399 152.665 138.602 -99.200 -91.000 TYR 246 0.840 -13.167 159.050 145.581 -99.200 -91.000 TRP 266 1.040 0.697 143.443 151.106 -99.200 -91.000 TRP6 266 1.020 -1.049 142.591 152.471 -99.200 -91.000 PHE 297 1.000 -0.626 165.743 150.386 -99.200 -91.000 TRP 298 1.040 -6.909 159.494 153.423 -99.200 -91.000 TRP6 298 1.020 -7.738 161.687 153.135 -99.200 -91.000 TYR 311 0.840 -13.947 135.094 149.186 -99.200 -91.000 HIS 315 0.900 -14.684 126.037 157.131 -99.200 -91.000 PHE 323 1.000 -14.017 132.294 157.020 -99.200 -91.000 HIS 327 0.900 -17.544 143.592 152.663 -99.200 -91.000 PHE 328 1.000 -10.924 146.530 144.504 -99.200 -91.000 TRP 355 1.040 -29.237 139.655 148.243 -99.200 -91.000 TRP6 355 1.020