============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TYR 3 0.840 8.085 27.382 75.899 -99.200 -91.000 HIS 4 0.900 9.170 34.829 79.459 -99.200 -91.000 TRP 9 1.040 6.080 37.251 62.521 -99.200 -91.000 TRP6 9 1.020 6.620 34.959 62.662 -99.200 -91.000 PHE 14 1.000 1.702 36.858 59.179 -99.200 -91.000 PHE 18 1.000 5.919 33.984 57.962 -99.200 -91.000 HIS 20 0.900 4.397 35.889 49.365 -99.200 -91.000 HIS 28 0.900 6.396 15.744 42.584 -99.200 -91.000 TYR 33 0.840 3.282 26.631 46.155 -99.200 -91.000 TYR 46 0.840 -6.029 43.105 52.059 -99.200 -91.000 HIS 58 0.900 -11.337 34.527 43.620 -99.200 -91.000 TYR 80 0.840 11.041 30.911 64.882 -99.200 -91.000 HIS 83 0.900 9.289 26.610 67.506 -99.200 -91.000 PHE 87 1.000 0.957 28.391 63.048 -99.200 -91.000 HIS 91 0.900 -12.236 30.408 54.818 -99.200 -91.000 TRP 99 1.040 -1.658 18.653 50.704 -99.200 -91.000 TRP6 99 1.020 -0.222 17.371 49.352 -99.200 -91.000 TRP 103 1.040 4.288 23.085 55.728 -99.200 -91.000 TRP6 103 1.020 6.175 22.012 54.805 -99.200 -91.000 TRP 110 1.040 11.515 17.009 54.207 -99.200 -91.000 TRP6 110 1.020 11.123 14.992 53.049 -99.200 -91.000 HIS 133 0.900 5.752 13.873 56.780 -99.200 -91.000 HIS 149 0.900 -7.051 6.407 65.971 -99.200 -91.000 TYR 175 0.840 -8.501 20.056 56.636 -99.200 -91.000 PHE 179 1.000 -10.188 26.159 61.106 -99.200 -91.000 TRP 186 1.040 -7.011 31.215 69.097 -99.200 -91.000 TRP6 186 1.020 -9.259 31.215 69.829 -99.200 -91.000 TYR 187 0.840 -5.113 23.374 64.327 -99.200 -91.000 PHE 195 1.000 6.964 18.337 75.312 -99.200 -91.000 TRP 199 1.040 -2.299 21.785 73.955 -99.200 -91.000 TRP6 199 1.020 0.047 22.030 73.980 -99.200 -91.000 PHE 200 1.000 -9.325 23.081 66.374 -99.200 -91.000 PHE 201 1.000 -7.226 24.745 73.464 -99.200 -91.000 TRP 224 1.040 -1.370 26.624 77.059 -99.200 -91.000 TRP6 224 1.020 -0.159 26.877 75.059 -99.200 -91.000 PHE 230 1.000 3.312 13.374 74.737 -99.200 -91.000 PHE 231 1.000 3.351 13.844 66.643 -99.200 -91.000 HIS 241 0.900 15.432 11.259 64.911 -99.200 -91.000 PHE 242 1.000 11.201 17.412 64.230 -99.200 -91.000 PHE 253 1.000 -4.868 25.134 44.195 -99.200 -91.000 TRP 257 1.040 -3.143 12.971 51.172 -99.200 -91.000 TRP6 257 1.020 -2.896 14.065 53.250 -99.200 -91.000 PHE 264 1.000 -10.594 15.604 42.754 -99.200 -91.000 TYR 276 0.840 -13.437 20.842 40.973 -99.200 -91.000 PHE 284 1.000 -10.111 25.326 42.929 -99.200 -91.000 TYR 288 0.840 -11.213 33.037 52.372 -99.200 -91.000 TRP 289 1.040 -3.796 29.000 54.449 -99.200 -91.000 TRP6 289 1.020 -3.977 27.659 56.381 -99.200 -91.000 TYR 297 0.840 3.966 33.387 72.868 -99.200 -91.000