============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 3 1.040 13.228 144.579 57.939 -99.200 -91.000 TRP6 3 1.020 14.935 146.148 57.455 -99.200 -91.000 PHE 4 1.000 20.017 136.751 58.018 -99.200 -91.000 PHE 7 1.000 20.036 137.003 66.206 -99.200 -91.000 TRP 11 1.040 28.347 139.435 65.136 -99.200 -91.000 TRP6 11 1.020 29.334 137.735 63.815 -99.200 -91.000 PHE 16 1.000 23.963 144.973 57.656 -99.200 -91.000 TYR 25 0.840 17.642 124.924 48.683 -99.200 -91.000 TYR 31 0.840 29.842 118.255 56.095 -99.200 -91.000 PHE 37 1.000 18.241 137.491 52.931 -99.200 -91.000 TYR 42 0.840 23.570 146.102 51.328 -99.200 -91.000 PHE 60 1.000 32.327 145.429 44.528 -99.200 -91.000 TYR 62 0.840 36.174 137.484 51.825 -99.200 -91.000 HIS 63 0.900 34.108 136.538 46.989 -99.200 -91.000 HIS 68 0.900 42.453 140.048 41.812 -99.200 -91.000 TYR 97 0.840 45.868 136.950 39.034 -99.200 -91.000 TYR 119 0.840 18.692 129.390 44.436 -99.200 -91.000 PHE 120 1.000 24.116 133.864 45.966 -99.200 -91.000 TYR 127 0.840 32.795 126.215 41.832 -99.200 -91.000 PHE 135 1.000 41.078 118.001 44.692 -99.200 -91.000 PHE 142 1.000 43.133 119.032 49.301 -99.200 -91.000 TYR 150 0.840 47.888 123.497 46.552 -99.200 -91.000 PHE 168 1.000 38.724 130.335 61.650 -99.200 -91.000 PHE 172 1.000 43.734 124.983 57.706 -99.200 -91.000 TYR 173 0.840 46.742 129.832 59.835 -99.200 -91.000 TYR 177 0.840 56.618 127.017 56.828 -99.200 -91.000 TYR 185 0.840 54.280 135.352 48.796 -99.200 -91.000 TRP 194 1.040 36.485 149.202 63.610 -99.200 -91.000 TRP6 194 1.020 36.985 150.916 65.171 -99.200 -91.000 HIS 196 0.900 38.529 139.417 71.476 -99.200 -91.000 TYR 206 0.840 46.788 129.986 67.196 -99.200 -91.000 PHE 211 1.000 53.120 130.788 56.901 -99.200 -91.000 TYR 216 0.840 44.131 142.272 60.564 -99.200 -91.000 TYR 224 0.840 32.041 139.240 55.146 -99.200 -91.000 PHE 253 1.000 43.894 140.356 36.402 -99.200 -91.000 TYR 258 0.840 37.768 147.377 48.358 -99.200 -91.000 TYR 259 0.840 44.633 144.673 43.886 -99.200 -91.000 TYR 261 0.840 51.343 149.606 42.140 -99.200 -91.000 HIS 264 0.900 48.762 144.475 47.216 -99.200 -91.000 PHE 268 1.000 48.826 144.210 53.505 -99.200 -91.000 PHE 273 1.000 41.866 149.958 67.321 -99.200 -91.000