============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 6 1.000 45.134 49.874 12.521 -99.200 -91.000 TYR 18 0.840 28.452 37.822 20.488 -99.200 -91.000 TYR 29 0.840 30.479 26.136 31.092 -99.200 -91.000 TRP 31 1.040 25.515 17.999 24.459 -99.200 -91.000 TRP6 31 1.020 26.417 16.359 25.905 -99.200 -91.000 PHE 52 1.000 23.363 27.771 29.528 -99.200 -91.000 TYR 59 0.840 25.514 29.840 16.971 -99.200 -91.000 PHE 61 1.000 20.987 39.656 14.461 -99.200 -91.000 HIS 62 0.900 25.228 38.713 16.743 -99.200 -91.000 PHE 66 1.000 24.834 42.945 12.931 -99.200 -91.000 TYR 73 0.840 27.471 47.821 4.968 -99.200 -91.000 HIS 82 0.900 21.342 50.765 5.456 -99.200 -91.000 PHE 84 1.000 26.111 47.900 14.280 -99.200 -91.000 TRP 87 1.040 20.307 43.299 9.385 -99.200 -91.000 TRP6 87 1.020 18.658 41.716 8.750 -99.200 -91.000 PHE 91 1.000 21.878 44.324 17.011 -99.200 -91.000 TYR 94 0.840 22.448 41.108 21.566 -99.200 -91.000 TYR 97 0.840 21.927 36.913 27.365 -99.200 -91.000 HIS 111 0.900 18.090 27.543 44.322 -99.200 -91.000 TYR 115 0.840 25.640 21.207 36.421 -99.200 -91.000 PHE 116 1.000 26.012 25.893 35.216 -99.200 -91.000 HIS 123 0.900 33.257 18.454 29.753 -99.200 -91.000 TYR 132 0.840 32.017 30.258 26.930 -99.200 -91.000 TYR 143 0.840 27.800 44.567 17.762 -99.200 -91.000 HIS 180 0.900 13.710 51.479 37.287 -99.200 -91.000 PHE 187 1.000 -1.628 49.099 33.677 -99.200 -91.000 PHE 203 1.000 8.594 63.193 34.890 -99.200 -91.000 TRP 206 1.040 2.329 70.830 42.810 -99.200 -91.000 TRP6 206 1.020 4.554 70.445 42.092 -99.200 -91.000 HIS 219 0.900 9.702 55.429 38.025 -99.200 -91.000 PHE 221 1.000 6.641 52.366 34.926 -99.200 -91.000 PHE 223 1.000 3.464 51.068 29.249 -99.200 -91.000 PHE 229 1.000 0.332 60.484 35.590 -99.200 -91.000 TYR 242 0.840 8.768 52.084 40.318 -99.200 -91.000 TYR 244 0.840 -2.903 51.707 37.416 -99.200 -91.000 PHE 249 1.000 -7.579 55.215 27.148 -99.200 -91.000 HIS 258 0.900 6.667 79.695 30.735 -99.200 -91.000 PHE 266 1.000 6.393 67.590 31.854 -99.200 -91.000 TRP 269 1.040 -5.643 69.770 28.017 -99.200 -91.000 TRP6 269 1.020 -3.861 70.966 27.035 -99.200 -91.000 TRP 293 1.040 9.995 61.870 30.579 -99.200 -91.000 TRP6 293 1.020 8.205 60.372 30.968 -99.200 -91.000 HIS 296 0.900 11.019 59.921 23.209 -99.200 -91.000