============================================================================= 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. PHE 16 1.000 36.031 55.540 12.415 -99.200 -91.000 HIS 44 0.900 32.146 78.629 5.191 -99.200 -91.000 TYR 47 0.840 31.920 75.716 13.228 -99.200 -91.000 PHE 50 1.000 28.689 80.227 16.415 -99.200 -91.000 TYR 59 0.840 36.320 86.476 24.140 -99.200 -91.000 PHE 66 1.000 34.043 80.155 17.048 -99.200 -91.000 HIS 76 0.900 35.509 68.098 7.186 -99.200 -91.000 TYR 81 0.840 30.462 69.951 -6.250 -99.200 -91.000 TYR 91 0.840 24.605 68.418 -4.663 -99.200 -91.000 TYR 102 0.840 22.291 82.881 20.606 -99.200 -91.000 TYR 117 0.840 24.006 65.056 14.432 -99.200 -91.000 TYR 123 0.840 30.396 63.474 8.503 -99.200 -91.000 PHE 126 1.000 24.770 60.705 6.791 -99.200 -91.000 HIS 140 0.900 39.825 58.138 2.055 -99.200 -91.000 PHE 142 1.000 29.473 59.907 4.034 -99.200 -91.000 HIS 152 0.900 37.025 70.446 12.746 -99.200 -91.000 TYR 156 0.840 34.841 74.930 17.569 -99.200 -91.000 TYR 160 0.840 33.019 76.871 27.962 -99.200 -91.000 PHE 171 1.000 43.760 78.129 16.987 -99.200 -91.000 HIS 172 0.900 50.560 75.847 12.086 -99.200 -91.000 TYR 179 0.840 45.355 67.480 13.310 -99.200 -91.000 HIS 181 0.900 49.217 70.099 16.605 -99.200 -91.000 PHE 186 1.000 51.566 70.554 12.981 -99.200 -91.000 PHE 193 1.000 50.235 58.480 9.090 -99.200 -91.000 PHE 199 1.000 48.827 70.272 8.633 -99.200 -91.000 TYR 202 0.840 43.079 79.230 8.362 -99.200 -91.000