============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 19 0.840 -51.520 -8.425 -28.379 -99.200 -91.000 PHE 24 1.000 -42.941 -16.079 -25.678 -99.200 -91.000 TYR 33 0.840 -62.592 -26.437 -19.867 -99.200 -91.000 TYR 36 0.840 -63.533 -20.126 -12.568 -99.200 -91.000 PHE 42 1.000 -56.918 -17.314 -29.923 -99.200 -91.000 PHE 55 1.000 -47.457 -11.619 -23.269 -99.200 -91.000 HIS 59 0.900 -55.486 -3.950 -19.689 -99.200 -91.000 HIS 63 0.900 -55.566 -1.459 -22.759 -99.200 -91.000 HIS 68 0.900 -64.844 -1.934 -16.216 -99.200 -91.000 TYR 72 0.840 -58.552 -9.226 -12.988 -99.200 -91.000 TRP 77 1.040 -58.853 -23.739 -14.668 -99.200 -91.000 TRP6 77 1.020 -59.857 -24.519 -12.656 -99.200 -91.000 TRP 86 1.040 -40.605 -19.914 -11.034 -99.200 -91.000 TRP6 86 1.020 -39.601 -19.005 -9.093 -99.200 -91.000 TYR 100 0.840 -41.047 5.865 -5.669 -99.200 -91.000 PHE 105 1.000 -38.821 -0.870 -15.267 -99.200 -91.000 PHE 111 1.000 -53.160 -6.982 -2.205 -99.200 -91.000 TYR 120 0.840 -62.896 -8.990 -4.830 -99.200 -91.000 PHE 122 1.000 -58.795 -19.573 -9.379 -99.200 -91.000 PHE 123 1.000 -59.786 -22.858 -3.150 -99.200 -91.000 HIS 130 0.900 -61.757 -17.922 4.914 -99.200 -91.000 PHE 137 1.000 -47.137 -7.929 -4.676 -99.200 -91.000 HIS 157 0.900 -37.909 4.150 -6.596 -99.200 -91.000 TYR 162 0.840 -51.077 -1.993 -8.002 -99.200 -91.000 PHE 170 1.000 -56.465 7.248 -15.437 -99.200 -91.000 TRP 179 1.040 -56.479 6.614 -3.728 -99.200 -91.000 TRP6 179 1.020 -58.275 5.657 -2.505 -99.200 -91.000 TYR 183 0.840 -56.544 3.925 2.488 -99.200 -91.000 TYR 206 0.840 -49.235 -11.773 -9.397 -99.200 -91.000 TYR 215 0.840 -44.306 12.256 -11.157 -99.200 -91.000 PHE 218 1.000 -50.962 13.411 -5.511 -99.200 -91.000 TYR 244 0.840 -33.566 -12.994 -23.240 -99.200 -91.000