============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 7 0.840 92.009 58.300 24.188 -99.200 -91.000 PHE 10 1.000 96.169 48.955 18.997 -99.200 -91.000 TRP 18 1.040 101.318 47.818 14.911 -99.200 -91.000 TRP6 18 1.020 99.008 47.991 15.349 -99.200 -91.000 HIS 20 0.900 102.978 49.946 3.947 -99.200 -91.000 PHE 21 1.000 97.245 46.944 10.244 -99.200 -91.000 TYR 40 0.840 99.302 56.215 12.641 -99.200 -91.000 TRP 47 1.040 94.719 61.620 19.964 -99.200 -91.000 TRP6 47 1.020 94.886 59.526 21.039 -99.200 -91.000 TYR 61 0.840 97.080 54.839 25.418 -99.200 -91.000 PHE 86 1.000 88.963 57.998 40.810 -99.200 -91.000 PHE 109 1.000 89.785 39.585 34.993 -99.200 -91.000 TYR 116 0.840 88.156 60.794 25.807 -99.200 -91.000 TYR 117 0.840 85.774 67.668 30.456 -99.200 -91.000 PHE 123 1.000 84.776 69.438 12.446 -99.200 -91.000 HIS 124 0.900 92.880 73.618 12.144 -99.200 -91.000 PHE 127 1.000 89.932 60.517 7.100 -99.200 -91.000 PHE 136 1.000 87.960 54.491 8.273 -99.200 -91.000 HIS 145 0.900 83.293 45.662 17.080 -99.200 -91.000 PHE 146 1.000 88.447 47.404 23.601 -99.200 -91.000 PHE 159 1.000 85.764 47.886 35.452 -99.200 -91.000 TYR 160 0.840 84.918 46.470 30.608 -99.200 -91.000 PHE 166 1.000 81.116 49.986 27.882 -99.200 -91.000 HIS 185 0.900 78.612 36.835 28.309 -99.200 -91.000 PHE 186 1.000 79.551 39.567 20.607 -99.200 -91.000 HIS 188 0.900 73.442 48.277 24.159 -99.200 -91.000 HIS 193 0.900 75.461 43.853 18.429 -99.200 -91.000 HIS 194 0.900 80.183 43.959 18.991 -99.200 -91.000 PHE 201 1.000 87.533 34.573 21.962 -99.200 -91.000 HIS 208 0.900 89.904 37.651 17.696 -99.200 -91.000 HIS 209 0.900 87.479 41.512 16.539 -99.200 -91.000 PHE 210 1.000 92.368 48.017 15.398 -99.200 -91.000 TYR 222 0.840 87.768 49.785 -4.626 -99.200 -91.000 PHE 224 1.000 89.644 39.679 1.121 -99.200 -91.000 HIS 240 0.900 81.156 38.860 12.986 -99.200 -91.000 PHE 248 1.000 89.135 43.020 5.121 -99.200 -91.000 TYR 249 0.840 87.105 39.418 12.137 -99.200 -91.000 PHE 261 1.000 88.274 48.803 6.034 -99.200 -91.000 TRP 263 1.040 78.528 49.069 4.224 -99.200 -91.000 TRP6 263 1.020 76.806 47.603 3.551 -99.200 -91.000 TRP 272 1.040 70.054 43.971 20.650 -99.200 -91.000 TRP6 272 1.020 69.977 44.210 18.309 -99.200 -91.000 HIS 277 0.900 72.605 35.911 17.595 -99.200 -91.000 TRP 283 1.040 76.168 36.501 4.380 -99.200 -91.000 TRP6 283 1.020 77.974 37.607 3.336 -99.200 -91.000 HIS 285 0.900 82.893 37.206 9.192 -99.200 -91.000