============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 5 1.000 -10.689 66.799 46.113 -99.200 -91.000 PHE 8 1.000 -9.919 69.627 37.201 -99.200 -91.000 TYR 10 0.840 -19.575 65.744 32.148 -99.200 -91.000 PHE 11 1.000 -10.217 66.739 32.831 -99.200 -91.000 TYR 12 0.840 -9.690 60.909 31.147 -99.200 -91.000 PHE 33 1.000 -12.420 51.701 21.723 -99.200 -91.000 PHE 37 1.000 -13.400 40.974 22.182 -99.200 -91.000 TYR 48 0.840 -22.536 63.304 36.249 -99.200 -91.000 PHE 53 1.000 -30.826 56.303 30.045 -99.200 -91.000 TYR 73 0.840 -20.422 53.451 23.198 -99.200 -91.000 TYR 81 0.840 -9.191 63.039 27.413 -99.200 -91.000 TYR 95 0.840 -8.409 81.693 42.438 -99.200 -91.000 TYR 108 0.840 -6.817 66.556 48.379 -99.200 -91.000 TYR 118 0.840 -15.311 75.483 57.437 -99.200 -91.000 TYR 122 0.840 -21.081 78.400 49.048 -99.200 -91.000 PHE 150 1.000 -14.135 64.116 57.964 -99.200 -91.000 PHE 210 1.000 -3.972 50.451 67.029 -99.200 -91.000 TYR 224 0.840 -7.345 57.264 56.223 -99.200 -91.000 TYR 233 0.840 -6.288 62.570 57.703 -99.200 -91.000 TYR 264 0.840 1.235 41.090 21.931 -99.200 -91.000 PHE 266 1.000 11.837 42.903 22.593 -99.200 -91.000 TYR 273 0.840 13.831 53.283 28.387 -99.200 -91.000 TYR 274 0.840 6.446 59.912 23.107 -99.200 -91.000 HIS 285 0.900 10.274 46.319 40.019 -99.200 -91.000 PHE 302 1.000 20.200 46.900 36.054 -99.200 -91.000 HIS 304 0.900 24.309 57.069 37.986 -99.200 -91.000 TYR 312 0.840 14.271 47.143 22.896 -99.200 -91.000 PHE 337 1.000 11.437 50.895 32.095 -99.200 -91.000 PHE 340 1.000 11.392 57.715 37.203 -99.200 -91.000