============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 5 1.000 33.871 2.691 17.850 -99.200 -91.000 TYR 6 0.840 29.838 5.374 10.515 -99.200 -91.000 PHE 11 1.000 24.671 7.699 11.568 -99.200 -91.000 HIS 15 0.900 33.099 2.437 7.415 -99.200 -91.000 TYR 16 0.840 38.167 -0.662 13.986 -99.200 -91.000 HIS 22 0.900 39.133 -2.918 19.017 -99.200 -91.000 TYR 28 0.840 42.152 -0.330 14.754 -99.200 -91.000 PHE 29 1.000 37.624 5.384 16.132 -99.200 -91.000 TRP 42 1.040 29.055 -2.203 21.599 -99.200 -91.000 TRP6 42 1.020 31.144 -3.176 21.076 -99.200 -91.000 TYR 45 0.840 35.878 2.694 29.212 -99.200 -91.000 PHE 50 1.000 39.795 -1.174 28.143 -99.200 -91.000 TYR 55 0.840 31.517 9.691 26.546 -99.200 -91.000 PHE 56 1.000 24.387 1.320 28.191 -99.200 -91.000 TYR 62 0.840 23.861 5.890 20.359 -99.200 -91.000 TYR 65 0.840 30.541 15.751 20.703 -99.200 -91.000 TRP 68 1.040 28.916 9.312 22.518 -99.200 -91.000 TRP6 68 1.020 29.029 9.252 20.179 -99.200 -91.000 PHE 71 1.000 31.353 15.400 30.186 -99.200 -91.000 HIS 83 0.900 22.214 -12.377 29.140 -99.200 -91.000 HIS 87 0.900 21.664 -6.285 35.336 -99.200 -91.000 TYR 92 0.840 27.066 -1.292 51.552 -99.200 -91.000 TYR 97 0.840 32.247 -2.083 50.340 -99.200 -91.000 HIS 110 0.900 16.123 12.137 42.446 -99.200 -91.000 PHE 115 1.000 16.760 3.165 46.993 -99.200 -91.000 HIS 116 0.900 17.090 2.518 54.044 -99.200 -91.000 PHE 117 1.000 20.904 4.665 52.047 -99.200 -91.000 PHE 120 1.000 21.972 7.621 47.688 -99.200 -91.000 HIS 121 0.900 29.311 9.704 50.133 -99.200 -91.000 PHE 123 1.000 27.094 3.017 44.357 -99.200 -91.000 HIS 124 0.900 29.353 -6.987 47.311 -99.200 -91.000 TYR 129 0.840 29.371 -7.008 33.517 -99.200 -91.000 TRP 130 1.040 24.138 -3.071 38.376 -99.200 -91.000 TRP6 130 1.020 21.947 -2.513 39.092 -99.200 -91.000 TYR 133 0.840 23.449 6.827 33.600 -99.200 -91.000 TYR 138 0.840 18.067 5.931 34.396 -99.200 -91.000 TYR 143 0.840 31.321 8.438 37.026 -99.200 -91.000 TYR 150 0.840 32.899 -0.775 41.307 -99.200 -91.000 TYR 153 0.840 35.882 10.452 44.939 -99.200 -91.000 HIS 154 0.900 39.274 8.738 45.202 -99.200 -91.000 TRP 156 1.040 31.992 5.918 40.990 -99.200 -91.000 TRP6 156 1.020 31.550 5.577 43.296 -99.200 -91.000 PHE 172 1.000 17.204 -1.074 24.444 -99.200 -91.000