============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TRP 35 1.040 78.393 -18.973 54.245 -99.200 -91.000 TRP6 35 1.020 77.489 -21.012 55.023 -99.200 -91.000 TYR 36 0.840 72.888 -13.126 56.233 -99.200 -91.000 TYR 49 0.840 80.260 -8.621 51.210 -99.200 -91.000 PHE 62 1.000 82.986 -16.775 62.456 -99.200 -91.000 PHE 71 1.000 78.236 -20.722 47.193 -99.200 -91.000 PHE 83 1.000 75.847 -19.413 72.131 -99.200 -91.000 TYR 86 0.840 77.767 -19.943 62.478 -99.200 -91.000 TYR 87 0.840 69.319 -19.477 59.713 -99.200 -91.000 TYR 91 0.840 73.970 -12.066 47.502 -99.200 -91.000 TRP 94 1.040 66.836 -8.634 38.533 -99.200 -91.000 TRP6 94 1.020 66.580 -7.440 40.552 -99.200 -91.000 TYR 97 0.840 67.868 -11.668 46.345 -99.200 -91.000 PHE 99 1.000 67.752 -15.579 54.495 -99.200 -91.000 PHE 117 1.000 65.552 -32.309 90.333 -99.200 -91.000 PHE 119 1.000 59.612 -29.818 90.203 -99.200 -91.000 PHE 140 1.000 68.873 -33.296 78.856 -99.200 -91.000 TYR 141 0.840 76.857 -33.010 74.203 -99.200 -91.000 TRP 149 1.040 54.672 -36.973 80.352 -99.200 -91.000 TRP6 149 1.020 54.928 -36.708 82.685 -99.200 -91.000 TYR 174 0.840 71.681 -28.751 74.355 -99.200 -91.000 TYR 187 0.840 46.525 -35.271 88.861 -99.200 -91.000 HIS 190 0.900 44.262 -42.385 84.324 -99.200 -91.000 TYR 193 0.840 48.678 -39.179 87.320 -99.200 -91.000 HIS 199 0.900 70.950 -37.890 77.805 -99.200 -91.000 PHE 210 1.000 52.419 -37.160 90.757 -99.200 -91.000