============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 6 1.000 25.319 -4.886 30.398 -99.200 -91.000 TRP 14 1.040 20.588 -7.113 12.587 -99.200 -91.000 TRP6 14 1.020 21.334 -9.296 12.132 -99.200 -91.000 PHE 15 1.000 21.349 -0.935 17.599 -99.200 -91.000 TYR 19 0.840 25.558 7.966 18.673 -99.200 -91.000 HIS 22 0.900 23.066 17.887 21.109 -99.200 -91.000 TYR 28 0.840 21.230 5.662 20.830 -99.200 -91.000 TRP 39 1.040 18.212 3.052 0.688 -99.200 -91.000 TRP6 39 1.020 17.020 5.044 0.989 -99.200 -91.000 HIS 45 0.900 9.116 7.297 18.774 -99.200 -91.000 PHE 47 1.000 15.238 9.782 12.756 -99.200 -91.000 TYR 50 0.840 16.993 19.549 14.998 -99.200 -91.000 TYR 56 0.840 18.585 13.628 13.530 -99.200 -91.000 TYR 59 0.840 29.631 7.233 14.838 -99.200 -91.000 PHE 75 1.000 28.097 4.751 6.945 -99.200 -91.000 HIS 83 0.900 4.184 5.612 6.099 -99.200 -91.000 TYR 86 0.840 4.571 9.751 13.870 -99.200 -91.000 HIS 93 0.900 4.819 7.314 18.848 -99.200 -91.000 HIS 94 0.900 -2.214 4.791 15.058 -99.200 -91.000 TYR 125 0.840 0.200 -7.011 3.222 -99.200 -91.000 PHE 130 1.000 -0.795 -17.531 18.328 -99.200 -91.000 PHE 139 1.000 24.464 1.200 22.242 -99.200 -91.000 TYR 147 0.840 19.954 10.532 36.018 -99.200 -91.000 TYR 149 0.840 19.127 6.642 26.317 -99.200 -91.000 HIS 163 0.900 -2.178 -8.233 15.585 -99.200 -91.000 HIS 170 0.900 -6.949 -7.808 30.563 -99.200 -91.000 TYR 171 0.840 -2.620 -8.056 27.677 -99.200 -91.000 TYR 172 0.840 -0.393 -1.519 25.166 -99.200 -91.000 TRP 188 1.040 3.555 -10.014 32.020 -99.200 -91.000 TRP6 188 1.020 2.860 -8.978 30.032 -99.200 -91.000 TRP 217 1.040 2.769 2.139 20.323 -99.200 -91.000 TRP6 217 1.020 1.067 1.531 21.821 -99.200 -91.000 TYR 230 0.840 8.533 -4.562 19.572 -99.200 -91.000 HIS 235 0.900 0.694 -6.337 7.783 -99.200 -91.000 PHE 236 1.000 3.915 0.286 7.898 -99.200 -91.000 TRP 239 1.040 6.384 4.508 3.083 -99.200 -91.000 TRP6 239 1.020 8.265 4.602 4.493 -99.200 -91.000 HIS 243 0.900 9.162 6.293 -0.042 -99.200 -91.000