============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 11 1.000 -17.848 -36.107 -17.126 -99.200 -91.000 PHE 20 1.000 -14.307 -32.084 -17.133 -99.200 -91.000 TYR 25 0.840 -21.338 -29.231 -18.387 -99.200 -91.000 PHE 27 1.000 -22.254 -21.517 -18.786 -99.200 -91.000 TYR 32 0.840 -22.250 -14.106 -24.812 -99.200 -91.000 TYR 37 0.840 -10.858 -8.061 -35.232 -99.200 -91.000 TYR 61 0.840 -10.721 -10.484 -28.674 -99.200 -91.000 PHE 63 1.000 -12.758 -8.015 -24.417 -99.200 -91.000 PHE 72 1.000 -17.897 -25.992 -16.551 -99.200 -91.000 TYR 75 0.840 -16.416 -19.763 -16.463 -99.200 -91.000 PHE 86 1.000 -18.947 -29.791 -41.881 -99.200 -91.000 TYR 93 0.840 -11.992 -23.066 -36.171 -99.200 -91.000 PHE 98 1.000 -6.367 -16.389 -24.885 -99.200 -91.000 TRP 112 1.040 -19.139 -28.629 -25.074 -99.200 -91.000 TRP6 112 1.020 -18.872 -28.432 -22.737 -99.200 -91.000 PHE 114 1.000 -16.328 -24.464 -25.996 -99.200 -91.000 HIS 126 0.900 -13.624 0.545 -15.218 -99.200 -91.000 PHE 136 1.000 -1.075 -16.287 -22.086 -99.200 -91.000 TYR 148 0.840 -24.298 0.766 -19.255 -99.200 -91.000 TYR 150 0.840 -24.005 5.654 -27.043 -99.200 -91.000 PHE 167 1.000 -20.066 -26.088 -37.774 -99.200 -91.000 HIS 174 0.900 -2.184 -43.347 -27.749 -99.200 -91.000 TYR 187 0.840 -20.418 -24.828 -28.901 -99.200 -91.000 HIS 188 0.900 -26.909 -26.153 -32.576 -99.200 -91.000 TRP 198 1.040 -29.330 -2.523 -23.983 -99.200 -91.000 TRP6 198 1.020 -28.893 -4.235 -22.409 -99.200 -91.000 HIS 207 0.900 -1.768 -3.770 -27.084 -99.200 -91.000 HIS 209 0.900 2.080 -13.719 -24.549 -99.200 -91.000 HIS 227 0.900 -23.682 -4.598 -22.288 -99.200 -91.000 PHE 228 1.000 -25.367 -11.445 -26.504 -99.200 -91.000 PHE 241 1.000 -13.763 -34.389 -42.087 -99.200 -91.000 TYR 243 0.840 -9.936 -32.843 -39.487 -99.200 -91.000