============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 13 0.840 -44.455 -5.687 18.099 -99.200 -91.000 TYR 16 0.840 -39.176 -10.171 3.984 -99.200 -91.000 TYR 24 0.840 -28.427 -17.262 1.331 -99.200 -91.000 PHE 29 1.000 -38.039 -13.308 7.930 -99.200 -91.000 TYR 32 0.840 -39.911 -6.908 21.818 -99.200 -91.000 PHE 46 1.000 -35.974 -22.097 20.814 -99.200 -91.000 TYR 48 0.840 -34.469 -19.067 15.961 -99.200 -91.000 TYR 58 0.840 -51.347 -10.087 14.142 -99.200 -91.000 TRP 67 1.040 -59.632 -21.438 15.989 -99.200 -91.000 TRP6 67 1.020 -59.332 -19.390 17.134 -99.200 -91.000 HIS 77 0.900 -50.102 -30.660 16.610 -99.200 -91.000 TYR 90 0.840 -63.213 -17.712 27.502 -99.200 -91.000 PHE 98 1.000 -51.881 -17.137 23.415 -99.200 -91.000 PHE 102 1.000 -43.840 -11.089 23.495 -99.200 -91.000 TYR 111 0.840 -55.967 16.404 21.312 -99.200 -91.000 TYR 131 0.840 -64.545 11.001 21.612 -99.200 -91.000 PHE 142 1.000 -62.413 -1.156 26.088 -99.200 -91.000 PHE 143 1.000 -63.332 3.235 23.469 -99.200 -91.000 TYR 151 0.840 -63.701 3.543 29.051 -99.200 -91.000 TRP 155 1.040 -70.244 1.764 20.228 -99.200 -91.000 TRP6 155 1.020 -68.849 1.640 18.320 -99.200 -91.000 PHE 157 1.000 -67.946 12.557 19.067 -99.200 -91.000 TYR 182 0.840 -59.522 11.302 14.909 -99.200 -91.000 TYR 193 0.840 -42.354 2.187 15.834 -99.200 -91.000 TYR 213 0.840 -48.724 -7.521 21.667 -99.200 -91.000 TYR 223 0.840 -39.873 -26.949 22.779 -99.200 -91.000 HIS 241 0.900 -35.795 -0.109 29.857 -99.200 -91.000 TRP 247 1.040 -35.986 -3.865 17.762 -99.200 -91.000 TRP6 247 1.020 -35.271 -3.703 15.511 -99.200 -91.000 TRP 248 1.040 -42.132 0.838 20.953 -99.200 -91.000 TRP6 248 1.020 -42.030 -1.472 20.433 -99.200 -91.000