============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. HIS 12 0.900 148.703 156.816 68.349 -99.200 -91.000 PHE 18 1.000 151.389 156.120 60.319 -99.200 -91.000 TYR 19 0.840 157.096 150.097 56.943 -99.200 -91.000 TRP 33 1.040 151.799 127.292 51.626 -99.200 -91.000 TRP6 33 1.020 153.177 128.407 50.052 -99.200 -91.000 PHE 37 1.000 151.511 126.410 46.448 -99.200 -91.000 HIS 43 0.900 161.127 124.980 56.249 -99.200 -91.000 TYR 44 0.840 158.451 135.245 56.267 -99.200 -91.000 PHE 65 1.000 159.887 130.857 61.467 -99.200 -91.000 PHE 88 1.000 172.983 129.242 57.709 -99.200 -91.000 HIS 90 0.900 173.622 132.858 51.383 -99.200 -91.000 PHE 100 1.000 174.133 131.450 66.275 -99.200 -91.000 PHE 111 1.000 175.569 120.435 48.290 -99.200 -91.000 PHE 115 1.000 187.119 125.349 46.661 -99.200 -91.000 HIS 121 0.900 184.914 115.806 56.087 -99.200 -91.000 TYR 123 0.840 185.384 124.993 60.155 -99.200 -91.000 HIS 124 0.900 176.076 121.643 61.508 -99.200 -91.000 PHE 148 1.000 173.334 132.969 45.970 -99.200 -91.000 HIS 157 0.900 182.999 117.315 41.256 -99.200 -91.000 TYR 161 0.840 184.549 117.292 47.303 -99.200 -91.000 PHE 174 1.000 162.450 124.625 41.949 -99.200 -91.000 HIS 175 0.900 163.807 131.994 44.750 -99.200 -91.000 TYR 186 0.840 157.769 128.775 40.710 -99.200 -91.000 TYR 187 0.840 155.342 120.353 34.266 -99.200 -91.000 PHE 197 1.000 164.366 113.765 45.493 -99.200 -91.000 HIS 205 0.900 174.460 111.632 48.655 -99.200 -91.000 TYR 208 0.840 164.364 113.165 54.123 -99.200 -91.000 HIS 217 0.900 154.657 139.072 43.164 -99.200 -91.000 TYR 227 0.840 149.579 133.641 38.242 -99.200 -91.000 TYR 231 0.840 152.063 124.007 34.261 -99.200 -91.000 PHE 239 1.000 158.070 116.138 36.077 -99.200 -91.000 PHE 240 1.000 160.344 115.455 43.098 -99.200 -91.000 PHE 254 1.000 150.994 133.015 48.975 -99.200 -91.000 PHE 255 1.000 152.875 132.620 53.678 -99.200 -91.000 HIS 258 0.900 148.975 141.419 49.114 -99.200 -91.000 TYR 259 0.840 152.997 142.033 59.145 -99.200 -91.000 TYR 276 0.840 149.924 170.825 40.486 -99.200 -91.000 TYR 278 0.840 152.536 166.999 45.323 -99.200 -91.000 PHE 279 1.000 161.421 167.332 46.868 -99.200 -91.000 PHE 280 1.000 155.016 161.988 49.119 -99.200 -91.000 TYR 285 0.840 169.710 156.302 48.691 -99.200 -91.000 PHE 288 1.000 157.996 154.377 49.454 -99.200 -91.000 PHE 293 1.000 168.525 147.709 45.095 -99.200 -91.000 TYR 312 0.840 142.816 161.530 40.315 -99.200 -91.000 TYR 318 0.840 161.392 164.908 42.640 -99.200 -91.000 HIS 330 0.900 161.693 158.869 37.904 -99.200 -91.000 HIS 338 0.900 146.565 171.268 49.124 -99.200 -91.000 TRP 342 1.040 149.996 162.343 57.904 -99.200 -91.000 TRP6 342 1.020 151.949 161.102 58.414 -99.200 -91.000 TYR 344 0.840 146.472 153.513 52.566 -99.200 -91.000 PHE 345 1.000 153.479 155.358 48.302 -99.200 -91.000 TRP 348 1.040 156.298 150.021 50.492 -99.200 -91.000 TRP6 348 1.020 156.101 150.001 48.134 -99.200 -91.000 TYR 351 0.840 162.268 140.624 49.319 -99.200 -91.000 PHE 359 1.000 172.859 158.896 51.347 -99.200 -91.000 PHE 362 1.000 166.038 163.245 55.736 -99.200 -91.000 TYR 365 0.840 160.845 151.483 60.067 -99.200 -91.000 TYR 368 0.840 151.092 153.915 65.184 -99.200 -91.000 TYR 369 0.840 153.322 145.398 65.195 -99.200 -91.000