============================================================================= 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 24.185 -2.802 13.866 -99.200 -91.000 TRP 14 1.040 19.636 -8.964 30.360 -99.200 -91.000 TRP6 14 1.020 20.081 -11.185 29.676 -99.200 -91.000 PHE 15 1.000 18.846 -2.288 26.567 -99.200 -91.000 TYR 19 0.840 12.388 5.031 23.886 -99.200 -91.000 HIS 22 0.900 11.927 15.931 25.460 -99.200 -91.000 TYR 28 0.840 17.778 4.711 24.628 -99.200 -91.000 TRP 39 1.040 10.669 -3.240 42.189 -99.200 -91.000 TRP6 39 1.020 10.842 -1.003 42.936 -99.200 -91.000 HIS 45 0.900 24.866 8.611 33.879 -99.200 -91.000 PHE 47 1.000 16.370 7.643 35.076 -99.200 -91.000 TYR 50 0.840 15.311 17.627 32.186 -99.200 -91.000 TYR 56 0.840 12.311 10.193 33.035 -99.200 -91.000 TYR 59 0.840 8.027 1.519 24.252 -99.200 -91.000 PHE 75 1.000 5.673 -2.887 31.574 -99.200 -91.000 HIS 83 0.900 22.985 5.842 46.725 -99.200 -91.000 TYR 86 0.840 24.698 11.267 40.268 -99.200 -91.000 HIS 93 0.900 28.736 10.961 36.057 -99.200 -91.000 HIS 94 0.900 32.563 9.547 43.165 -99.200 -91.000 TYR 125 0.840 30.934 -6.286 50.018 -99.200 -91.000 PHE 130 1.000 39.248 -7.229 39.534 -99.200 -91.000 PHE 139 1.000 18.166 0.422 21.208 -99.200 -91.000 TYR 147 0.840 24.228 14.056 13.277 -99.200 -91.000 TYR 149 0.840 22.029 8.134 21.358 -99.200 -91.000 HIS 163 0.900 38.313 -2.085 41.952 -99.200 -91.000 HIS 170 0.900 50.826 7.098 31.340 -99.200 -91.000 TYR 171 0.840 45.112 1.517 32.556 -99.200 -91.000 TYR 172 0.840 39.288 6.094 33.620 -99.200 -91.000 TRP 188 1.040 43.650 -0.619 25.005 -99.200 -91.000 TRP6 188 1.020 42.680 -0.170 27.113 -99.200 -91.000 TRP 217 1.040 32.747 6.884 36.054 -99.200 -91.000 TRP6 217 1.020 35.083 7.263 35.906 -99.200 -91.000 TYR 230 0.840 30.987 -1.094 32.410 -99.200 -91.000 HIS 235 0.900 31.535 -3.757 46.573 -99.200 -91.000 PHE 236 1.000 26.238 1.124 44.977 -99.200 -91.000 TRP 239 1.040 20.113 2.756 47.521 -99.200 -91.000 TRP6 239 1.020 19.384 2.467 45.289 -99.200 -91.000 HIS 243 0.900 16.165 2.900 48.657 -99.200 -91.000