============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 2 1.000 -3.910 -23.599 30.220 -99.200 -91.000 HIS 3 0.900 -8.925 -17.602 23.171 -99.200 -91.000 PHE 5 1.000 -7.327 -19.901 20.552 -99.200 -91.000 PHE 7 1.000 -10.821 -27.911 13.211 -99.200 -91.000 TYR 8 0.840 -16.047 -24.220 11.963 -99.200 -91.000 PHE 17 1.000 -6.034 -26.541 11.657 -99.200 -91.000 TYR 33 0.840 -0.980 -27.827 10.910 -99.200 -91.000 TYR 36 0.840 1.771 -15.045 11.891 -99.200 -91.000 PHE 56 1.000 -7.261 -31.651 23.937 -99.200 -91.000 HIS 68 0.900 11.100 -22.934 35.428 -99.200 -91.000 PHE 77 1.000 -9.043 -25.616 26.558 -99.200 -91.000 TYR 88 0.840 1.672 -26.666 22.868 -99.200 -91.000 TYR 90 0.840 7.326 -20.183 15.492 -99.200 -91.000 TRP 111 1.040 31.632 -25.793 26.627 -99.200 -91.000 TRP6 111 1.020 30.537 -27.884 26.793 -99.200 -91.000 HIS 112 0.900 31.651 -19.770 26.579 -99.200 -91.000 PHE 127 1.000 7.287 -25.343 37.711 -99.200 -91.000 HIS 129 0.900 12.067 -34.955 38.135 -99.200 -91.000 HIS 132 0.900 5.038 -33.002 44.700 -99.200 -91.000 HIS 133 0.900 2.627 -32.918 37.110 -99.200 -91.000 HIS 135 0.900 8.749 -34.726 29.333 -99.200 -91.000 PHE 149 1.000 19.673 -20.228 19.359 -99.200 -91.000 PHE 156 1.000 5.396 -30.361 29.655 -99.200 -91.000 TYR 173 0.840 16.786 -39.558 23.645 -99.200 -91.000 TYR 190 0.840 19.903 -44.350 31.646 -99.200 -91.000 PHE 192 1.000 19.510 -32.695 31.862 -99.200 -91.000 HIS 209 0.900 23.234 -45.967 7.943 -99.200 -91.000 TYR 232 0.840 32.954 -41.330 21.413 -99.200 -91.000 TYR 249 0.840 31.737 -38.844 30.244 -99.200 -91.000 HIS 257 0.900 25.615 -45.877 39.214 -99.200 -91.000