============================================================================= 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 -73.231 -28.258 11.674 -99.200 -91.000 PHE 24 1.000 -81.142 -25.858 20.164 -99.200 -91.000 TYR 33 0.840 -91.022 -19.426 0.415 -99.200 -91.000 TYR 36 0.840 -84.685 -12.170 -0.164 -99.200 -91.000 PHE 42 1.000 -82.386 -29.313 5.789 -99.200 -91.000 PHE 55 1.000 -76.589 -23.263 15.775 -99.200 -91.000 HIS 59 0.900 -68.737 -19.531 8.037 -99.200 -91.000 HIS 63 0.900 -66.275 -22.582 7.911 -99.200 -91.000 HIS 68 0.900 -66.500 -15.788 -1.194 -99.200 -91.000 TYR 72 0.840 -73.922 -12.690 4.995 -99.200 -91.000 TRP 77 1.040 -88.390 -14.354 4.317 -99.200 -91.000 TRP6 77 1.020 -89.161 -12.333 3.357 -99.200 -91.000 TRP 86 1.040 -85.001 -11.166 22.766 -99.200 -91.000 TRP6 86 1.020 -84.066 -9.303 23.894 -99.200 -91.000 TYR 100 0.840 -60.162 -5.235 22.730 -99.200 -91.000 PHE 105 1.000 -66.033 -15.567 24.832 -99.200 -91.000 PHE 111 1.000 -71.805 -2.074 10.746 -99.200 -91.000 TYR 120 0.840 -73.596 -4.470 0.859 -99.200 -91.000 PHE 122 1.000 -84.241 -9.112 4.636 -99.200 -91.000 PHE 123 1.000 -87.520 -2.828 3.686 -99.200 -91.000 HIS 130 0.900 -82.503 5.250 2.039 -99.200 -91.000 PHE 137 1.000 -72.847 -4.700 16.694 -99.200 -91.000 HIS 157 0.900 -60.912 -6.878 26.039 -99.200 -91.000 TYR 162 0.840 -66.887 -7.973 12.798 -99.200 -91.000 PHE 170 1.000 -57.527 -15.329 7.391 -99.200 -91.000 TRP 179 1.040 -58.109 -3.735 7.729 -99.200 -91.000 TRP6 179 1.020 -58.917 -2.549 5.832 -99.200 -91.000 TYR 183 0.840 -60.664 2.663 7.196 -99.200 -91.000 TYR 206 0.840 -76.680 -9.361 14.375 -99.200 -91.000 TYR 215 0.840 -52.788 -11.781 19.720 -99.200 -91.000 PHE 218 1.000 -51.452 -5.500 13.338 -99.200 -91.000 TYR 244 0.840 -78.233 -23.670 29.635 -99.200 -91.000