============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 2 1.000 -93.907 68.414 -59.511 -99.200 -91.000 TYR 6 0.840 -85.549 70.055 -52.969 -99.200 -91.000 TYR 32 0.840 -97.771 83.134 -35.359 -99.200 -91.000 HIS 33 0.900 -100.470 82.590 -45.081 -99.200 -91.000 HIS 38 0.900 -90.971 77.383 -53.691 -99.200 -91.000 PHE 42 1.000 -91.496 71.812 -51.323 -99.200 -91.000 TYR 44 0.840 -96.594 73.814 -54.139 -99.200 -91.000 HIS 48 0.900 -97.921 66.560 -53.892 -99.200 -91.000 TYR 55 0.840 -85.786 74.641 -32.419 -99.200 -91.000 TYR 56 0.840 -80.916 70.637 -41.728 -99.200 -91.000 TYR 65 0.840 -96.215 71.984 -39.979 -99.200 -91.000 HIS 83 0.900 -100.590 71.306 -32.065 -99.200 -91.000 TYR 85 0.840 -96.172 70.164 -23.404 -99.200 -91.000 TYR 91 0.840 -95.220 77.979 -26.560 -99.200 -91.000 TYR 93 0.840 -87.937 69.425 -32.182 -99.200 -91.000 PHE 97 1.000 -87.778 76.295 -36.758 -99.200 -91.000 TYR 108 0.840 -81.923 74.609 -43.632 -99.200 -91.000 HIS 113 0.900 -92.719 64.657 -47.432 -99.200 -91.000 TYR 115 0.840 -98.893 59.030 -52.248 -99.200 -91.000 PHE 116 1.000 -106.744 65.387 -48.511 -99.200 -91.000 PHE 129 1.000 -113.448 68.314 -56.591 -99.200 -91.000 PHE 131 1.000 -112.853 70.446 -51.683 -99.200 -91.000 TYR 141 0.840 -110.462 70.103 -47.715 -99.200 -91.000 PHE 144 1.000 -107.547 69.749 -52.857 -99.200 -91.000 PHE 149 1.000 -114.307 77.921 -58.152 -99.200 -91.000 TYR 153 0.840 -114.958 73.063 -60.574 -99.200 -91.000 TYR 156 0.840 -123.341 73.048 -59.256 -99.200 -91.000 TYR 160 0.840 -121.063 69.174 -44.420 -99.200 -91.000 TYR 161 0.840 -112.477 75.326 -41.328 -99.200 -91.000 TYR 164 0.840 -112.643 77.542 -28.610 -99.200 -91.000 TYR 171 0.840 -105.124 79.901 -45.049 -99.200 -91.000 TYR 177 0.840 -111.956 86.279 -53.965 -99.200 -91.000 PHE 178 1.000 -111.183 80.939 -53.781 -99.200 -91.000 TYR 182 0.840 -115.575 81.669 -58.383 -99.200 -91.000 HIS 189 0.900 -123.626 73.136 -45.291 -99.200 -91.000 TYR 190 0.840 -117.677 78.997 -42.260 -99.200 -91.000 PHE 192 1.000 -118.497 79.176 -35.813 -99.200 -91.000 TYR 194 0.840 -118.918 78.945 -29.825 -99.200 -91.000 PHE 203 1.000 -121.543 64.828 -30.840 -99.200 -91.000 TYR 204 0.840 -120.532 69.886 -30.533 -99.200 -91.000 TYR 210 0.840 -125.183 60.725 -37.937 -99.200 -91.000 PHE 216 1.000 -121.680 63.846 -46.391 -99.200 -91.000 PHE 220 1.000 -119.306 59.166 -51.702 -99.200 -91.000 TYR 223 0.840 -126.301 66.372 -58.081 -99.200 -91.000 TYR 228 0.840 -110.266 65.302 -52.261 -99.200 -91.000 HIS 232 0.900 -108.046 64.814 -33.324 -99.200 -91.000 TYR 237 0.840 -111.682 54.811 -38.785 -99.200 -91.000 HIS 246 0.900 -130.799 55.123 -42.720 -99.200 -91.000 PHE 249 1.000 -118.269 53.469 -48.224 -99.200 -91.000 HIS 258 0.900 -109.616 61.144 -53.141 -99.200 -91.000 TYR 262 0.840 -103.400 67.219 -39.638 -99.200 -91.000