============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 74 rings ring int. center anis. iso. HIS 4 0.900 37.269 61.119 43.326 -99.200 -91.000 TRP 17 1.040 36.879 57.015 37.311 -99.200 -91.000 TRP6 17 1.020 35.677 59.002 37.821 -99.200 -91.000 TYR 20 0.840 39.282 56.710 44.751 -99.200 -91.000 TYR 21 0.840 33.028 57.211 43.771 -99.200 -91.000 PHE 25 1.000 34.570 48.677 37.629 -99.200 -91.000 TRP 28 1.040 30.446 51.913 33.382 -99.200 -91.000 TRP6 28 1.020 32.446 50.676 33.125 -99.200 -91.000 TRP 51 1.040 19.256 55.655 6.080 -99.200 -91.000 TRP6 51 1.020 18.919 54.147 7.869 -99.200 -91.000 TYR 54 0.840 24.907 58.663 5.530 -99.200 -91.000 PHE 56 1.000 23.733 55.329 10.015 -99.200 -91.000 TYR 60 0.840 20.243 51.667 12.191 -99.200 -91.000 HIS 66 0.900 25.712 53.582 27.964 -99.200 -91.000 TYR 67 0.840 31.796 44.741 28.612 -99.200 -91.000 TYR 68 0.840 28.693 44.064 24.575 -99.200 -91.000 TRP 95 1.040 38.132 57.521 17.058 -99.200 -91.000 TRP6 95 1.020 38.244 55.220 17.545 -99.200 -91.000 TYR 114 0.840 37.980 63.947 19.218 -99.200 -91.000 PHE 115 1.000 35.077 67.293 17.141 -99.200 -91.000 TRP 119 1.040 36.848 55.351 13.897 -99.200 -91.000 TRP6 119 1.020 37.481 53.177 13.180 -99.200 -91.000 TYR 122 0.840 42.822 61.345 17.875 -99.200 -91.000 TYR 133 0.840 37.892 62.276 32.398 -99.200 -91.000 HIS 136 0.900 29.482 60.468 37.752 -99.200 -91.000 TYR 149 0.840 29.342 67.197 21.050 -99.200 -91.000 PHE 159 1.000 16.433 73.625 25.422 -99.200 -91.000 PHE 162 1.000 25.943 69.118 33.016 -99.200 -91.000 HIS 167 0.900 22.009 66.524 40.762 -99.200 -91.000 HIS 179 0.900 21.963 57.742 24.102 -99.200 -91.000 TYR 182 0.840 26.119 62.651 14.861 -99.200 -91.000 TYR 183 0.840 25.691 70.633 10.952 -99.200 -91.000 PHE 184 1.000 30.595 63.731 11.933 -99.200 -91.000 TRP 189 1.040 41.865 73.212 12.746 -99.200 -91.000 TRP6 189 1.020 43.574 72.985 14.361 -99.200 -91.000 TRP 206 1.040 20.031 70.508 19.161 -99.200 -91.000 TRP6 206 1.020 20.508 70.083 21.420 -99.200 -91.000 TYR 218 0.840 21.571 74.091 11.989 -99.200 -91.000 TYR 219 0.840 20.712 69.291 9.552 -99.200 -91.000 PHE 224 1.000 25.251 69.011 6.395 -99.200 -91.000 TRP 227 1.040 22.965 59.569 1.283 -99.200 -91.000 TRP6 227 1.020 21.514 59.907 3.134 -99.200 -91.000 HIS 229 0.900 18.511 57.573 -2.103 -99.200 -91.000 HIS 241 0.900 22.509 59.123 18.001 -99.200 -91.000 TRP 244 1.040 17.968 66.356 26.317 -99.200 -91.000 TRP6 244 1.020 17.764 68.471 25.253 -99.200 -91.000 TYR 247 0.840 13.641 63.684 28.475 -99.200 -91.000 HIS 252 0.900 6.905 59.342 31.208 -99.200 -91.000 HIS 263 0.900 16.560 54.540 29.822 -99.200 -91.000 TYR 266 0.840 17.871 58.413 42.780 -99.200 -91.000 TYR 274 0.840 24.573 52.600 47.814 -99.200 -91.000 HIS 277 0.900 26.180 54.813 37.976 -99.200 -91.000 HIS 294 0.900 3.410 55.474 35.556 -99.200 -91.000 PHE 309 1.000 8.458 48.191 18.607 -99.200 -91.000 PHE 314 1.000 -1