============================================================================= 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 4 0.840 127.082 47.948 -36.683 -99.200 -91.000 TYR 6 0.840 133.755 54.849 -37.159 -99.200 -91.000 PHE 17 1.000 143.450 37.914 -26.888 -99.200 -91.000 PHE 37 1.000 121.647 23.834 8.156 -99.200 -91.000 TRP 69 1.040 134.025 21.652 4.674 -99.200 -91.000 TRP6 69 1.020 132.803 21.523 6.687 -99.200 -91.000 PHE 80 1.000 123.272 29.456 10.334 -99.200 -91.000 TYR 96 0.840 121.072 33.052 28.628 -99.200 -91.000 PHE 113 1.000 140.181 21.874 11.587 -99.200 -91.000 PHE 127 1.000 119.458 28.658 20.723 -99.200 -91.000 HIS 130 0.900 108.288 32.167 20.495 -99.200 -91.000 TYR 141 0.840 105.819 43.712 18.248 -99.200 -91.000 HIS 158 0.900 127.013 32.770 19.930 -99.200 -91.000 HIS 188 0.900 134.628 38.970 24.941 -99.200 -91.000 TYR 196 0.840 122.455 36.903 9.051 -99.200 -91.000 TYR 200 0.840 114.669 42.618 1.594 -99.200 -91.000 TYR 204 0.840 113.284 32.788 -3.210 -99.200 -91.000 TYR 205 0.840 114.684 33.683 4.980 -99.200 -91.000 PHE 208 1.000 118.457 28.371 8.932 -99.200 -91.000 TYR 226 0.840 110.840 39.041 13.631 -99.200 -91.000 HIS 238 0.900 116.483 55.529 5.070 -99.200 -91.000 TYR 259 0.840 115.119 39.814 -1.491 -99.200 -91.000 PHE 270 1.000 124.950 52.690 3.457 -99.200 -91.000 PHE 275 1.000 131.260 39.653 4.202 -99.200 -91.000 TYR 277 0.840 122.921 32.329 4.767 -99.200 -91.000 TYR 283 0.840 122.567 23.117 -1.692 -99.200 -91.000 HIS 286 0.900 120.609 28.125 -8.253 -99.200 -91.000 TRP 294 1.040 114.327 19.384 -15.402 -99.200 -91.000 TRP6 294 1.020 112.763 20.015 -13.816 -99.200 -91.000 PHE 307 1.000 124.839 35.422 -4.520 -99.200 -91.000 TYR 318 0.840 123.123 26.424 3.272 -99.200 -91.000 PHE 319 1.000 125.022 25.078 -4.975 -99.200 -91.000