============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. HIS 15 0.900 48.719 -7.875 35.876 -99.200 -91.000 PHE 16 1.000 53.565 -13.140 30.723 -99.200 -91.000 HIS 20 0.900 53.055 -8.595 29.961 -99.200 -91.000 TRP 32 1.040 57.548 -26.877 8.560 -99.200 -91.000 TRP6 32 1.020 55.455 -27.979 8.597 -99.200 -91.000 TRP 51 1.040 60.975 -21.678 31.796 -99.200 -91.000 TRP6 51 1.020 60.373 -20.883 29.649 -99.200 -91.000 PHE 54 1.000 56.320 -29.348 32.464 -99.200 -91.000 HIS 63 0.900 50.494 -33.814 39.544 -99.200 -91.000 TYR 66 0.840 50.119 -27.264 34.604 -99.200 -91.000 PHE 77 1.000 47.685 -19.553 18.040 -99.200 -91.000 PHE 78 1.000 49.948 -16.381 21.269 -99.200 -91.000 PHE 83 1.000 52.468 -18.544 31.153 -99.200 -91.000 HIS 97 0.900 61.419 -35.267 37.668 -99.200 -91.000 TYR 99 0.840 60.089 -43.691 33.975 -99.200 -91.000 TRP 108 1.040 69.685 -36.108 25.263 -99.200 -91.000 TRP6 108 1.020 70.100 -35.009 23.204 -99.200 -91.000 PHE 121 1.000 55.968 -41.107 23.168 -99.200 -91.000 TYR 147 0.840 70.207 -50.955 22.662 -99.200 -91.000 TRP 154 1.040 51.173 -42.803 11.069 -99.200 -91.000 TRP6 154 1.020 49.647 -42.283 9.343 -99.200 -91.000 TRP 155 1.040 49.177 -39.571 12.594 -99.200 -91.000 TRP6 155 1.020 48.196 -37.545 11.891 -99.200 -91.000 HIS 181 0.900 50.996 -57.786 27.772 -99.200 -91.000 HIS 184 0.900 56.830 -53.713 22.103 -99.200 -91.000 PHE 205 1.000 38.579 -32.825 10.578 -99.200 -91.000 TYR 207 0.840 42.489 -26.063 10.517 -99.200 -91.000 PHE 211 1.000 52.542 -20.564 17.234 -99.200 -91.000 HIS 212 0.900 50.580 -25.309 18.419 -99.200 -91.000 HIS 215 0.900 50.465 -32.752 14.462 -99.200 -91.000 PHE 216 1.000 56.901 -32.572 9.597 -99.200 -91.000 HIS 219 0.900 59.781 -43.915 6.017 -99.200 -91.000 PHE 220 1.000 63.236 -43.109 13.854 -99.200 -91.000 PHE 238 1.000 53.966 -52.597 25.728 -99.200 -91.000 HIS 251 0.900 50.356 -32.065 32.186 -99.200 -91.000 HIS 252 0.900 47.175 -32.972 24.776 -99.200 -91.000 PHE 277 1.000 13.787 -16.571 10.724 -99.200 -91.000 TYR 282 0.840 19.608 -12.768 24.246 -99.200 -91.000 HIS 284 0.900 14.872 -17.329 17.043 -99.200 -91.000 HIS 289 0.900 16.267 -25.135 26.712 -99.200 -91.000 TRP 290 1.040 21.922 -25.809 20.687 -99.200 -91.000 TRP6 290 1.020 22.098 -24.774 18.568 -99.200 -91.000 HIS 310 0.900 42.450 -34.610 46.298 -99.200 -91.000 TRP 341 1.040 25.104 -27.737 20.377 -99.200 -91.000 TRP6 341 1.020 25.114 -28.396 22.661 -99.200 -91.000 TYR 355 0.840 33.594 -15.594 14.833 -99.200 -91.000 TYR 361 0.840 34.729 -30.790 15.231 -99.200 -91.000 HIS 377 0.900 42.277 -43.677 27.145 -99.200 -91.000