============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 12 0.900 148.751 157.187 68.515 -99.200 -91.000 PHE 18 1.000 151.260 156.332 60.431 -99.200 -91.000 TYR 19 0.840 157.044 150.310 57.181 -99.200 -91.000 TRP 33 1.040 151.704 127.385 52.176 -99.200 -91.000 TRP6 33 1.020 153.152 128.419 50.602 -99.200 -91.000 PHE 37 1.000 151.445 126.477 46.988 -99.200 -91.000 HIS 43 0.900 161.203 125.203 56.879 -99.200 -91.000 TYR 44 0.840 158.504 135.446 56.618 -99.200 -91.000 PHE 65 1.000 159.840 131.167 61.866 -99.200 -91.000 PHE 88 1.000 173.019 129.533 58.150 -99.200 -91.000 HIS 90 0.900 173.580 133.027 51.808 -99.200 -91.000 PHE 100 1.000 174.153 131.927 66.629 -99.200 -91.000 PHE 111 1.000 175.635 120.571 48.779 -99.200 -91.000 PHE 115 1.000 187.119 125.471 47.048 -99.200 -91.000 HIS 121 0.900 185.164 116.206 56.742 -99.200 -91.000 TYR 123 0.840 185.572 125.387 60.606 -99.200 -91.000 HIS 124 0.900 176.154 121.998 62.011 -99.200 -91.000 PHE 148 1.000 173.437 133.031 46.333 -99.200 -91.000 HIS 157 0.900 183.083 117.312 41.595 -99.200 -91.000 TYR 161 0.840 184.588 117.424 47.844 -99.200 -91.000 PHE 174 1.000 162.453 124.654 42.413 -99.200 -91.000 HIS 175 0.900 163.716 132.111 45.089 -99.200 -91.000 TYR 186 0.840 157.733 128.777 41.150 -99.200 -91.000 TYR 187 0.840 155.242 120.269 34.709 -99.200 -91.000 PHE 197 1.000 164.362 113.434 46.172 -99.200 -91.000 HIS 205 0.900 174.558 111.783 49.282 -99.200 -91.000 TYR 208 0.840 164.271 113.446 54.795 -99.200 -91.000 HIS 217 0.900 154.512 139.220 43.413 -99.200 -91.000 TYR 231 0.840 151.856 123.974 34.860 -99.200 -91.000 PHE 239 1.000 157.900 116.121 36.704 -99.200 -91.000 PHE 240 1.000 160.290 115.545 43.638 -99.200 -91.000 PHE 254 1.000 150.993 133.140 49.386 -99.200 -91.000 PHE 255 1.000 152.755 132.787 54.147 -99.200 -91.000 HIS 258 0.900 148.975 141.522 49.462 -99.200 -91.000 TYR 259 0.840 153.019 142.202 59.521 -99.200 -91.000 TYR 276 0.840 149.696 170.781 40.423 -99.200 -91.000 TYR 278 0.840 152.309 167.077 45.299 -99.200 -91.000 PHE 279 1.000 161.305 167.421 46.829 -99.200 -91.000 PHE 280 1.000 154.790 162.086 49.139 -99.200 -91.000 TYR 285 0.840 169.620 156.584 48.875 -99.200 -91.000 PHE 288 1.000 157.828 154.496 49.592 -99.200 -91.000 PHE 293 1.000 168.436 147.614 45.159 -99.200 -91.000 TYR 312 0.840 142.657 161.440 40.257 -99.200 -91.000 TYR 318 0.840 161.264 165.002 42.564 -99.200 -91.000 HIS 330 0.900 161.523 158.927 37.966 -99.200 -91.000 HIS 338 0.900 146.321 171.285 48.977 -99.200 -91.000 TRP 342 1.040 149.910 162.516 58.072 -99.200 -91.000 TRP6 342 1.020 151.854 161.221 58.416 -99.200 -91.000 TYR 344 0.840 146.268 153.715 52.872 -99.200 -91.000 PHE 345 1.000 153.292 155.468 48.483 -99.200 -91.000 TRP 348 1.040 156.191 150.145 50.712 -99.200 -91.000 TRP6 348 1.020 155.977 150.117 48.355 -99.200 -91.000 TYR 351 0.840 162.237 140.761 49.518 -99.200 -91.000 PHE 359 1.000 172.776 159.220 51.443 -99.200 -91.000 PHE 362 1.000 165.841 163.563 55.729 -99.200 -91.000 TYR 365 0.840 160.751 151.727 60.240 -99.200 -91.000 TYR 368 0.840 151.053 154.199 65.366 -99.200 -91.000 TYR 369 0.840 153.391 145.655 65.475 -99.200 -91.000