============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TRP 16 1.040 18.213 20.273 16.929 -99.200 -91.000 TRP6 16 1.020 17.531 21.277 18.957 -99.200 -91.000 PHE 17 1.000 11.248 19.108 21.903 -99.200 -91.000 PHE 21 1.000 10.394 16.082 25.812 -99.200 -91.000 HIS 34 0.900 19.934 -0.052 39.310 -99.200 -91.000 TYR 40 0.840 28.117 5.130 41.638 -99.200 -91.000 TRP 42 1.040 29.168 11.381 32.449 -99.200 -91.000 TRP6 42 1.020 27.586 12.869 33.410 -99.200 -91.000 TRP 43 1.040 26.267 12.203 39.838 -99.200 -91.000 TRP6 43 1.020 26.427 11.332 42.020 -99.200 -91.000 PHE 63 1.000 14.812 10.005 48.274 -99.200 -91.000 TYR 97 0.840 11.454 49.353 34.729 -99.200 -91.000 TYR 98 0.840 12.047 41.226 30.230 -99.200 -91.000 HIS 105 0.900 5.764 33.080 33.022 -99.200 -91.000 PHE 107 1.000 5.408 24.315 38.946 -99.200 -91.000 PHE 118 1.000 18.659 43.311 43.232 -99.200 -91.000 HIS 128 0.900 8.920 24.362 41.647 -99.200 -91.000 HIS 129 0.900 16.755 30.141 44.314 -99.200 -91.000 PHE 130 1.000 16.281 24.116 38.805 -99.200 -91.000 TYR 132 0.840 26.190 24.702 42.485 -99.200 -91.000 PHE 136 1.000 20.870 27.363 51.057 -99.200 -91.000 PHE 149 1.000 26.270 19.888 39.629 -99.200 -91.000 TRP 156 1.040 25.391 21.205 52.409 -99.200 -91.000 TRP6 156 1.020 23.571 22.176 51.262 -99.200 -91.000 HIS 168 0.900 36.485 23.499 52.482 -99.200 -91.000 TYR 170 0.840 33.701 22.774 44.626 -99.200 -91.000 TYR 187 0.840 18.439 18.426 37.374 -99.200 -91.000 HIS 188 0.900 17.422 9.893 38.758 -99.200 -91.000 PHE 191 1.000 15.917 15.683 33.159 -99.200 -91.000 TYR 194 0.840 17.059 13.837 28.703 -99.200 -91.000 PHE 196 1.000 28.611 15.602 29.002 -99.200 -91.000 TRP 199 1.040 17.909 17.721 25.827 -99.200 -91.000 TRP6 199 1.020 16.652 18.964 24.277 -99.200 -91.000 HIS 203 0.900 29.941 19.712 21.742 -99.200 -91.000 TYR 206 0.840 30.145 19.520 36.038 -99.200 -91.000 PHE 216 1.000 13.224 20.074 37.329 -99.200 -91.000 HIS 219 0.900 12.094 15.866 29.925 -99.200 -91.000 TYR 227 0.840 10.803 36.001 31.539 -99.200 -91.000 PHE 229 1.000 18.653 30.781 31.038 -99.200 -91.000 TRP 237 1.040 28.786 36.934 28.488 -99.200 -91.000 TRP6 237 1.020 27.145 35.231 28.385 -99.200 -91.000 HIS 238 0.900 26.357 43.076 33.939 -99.200 -91.000 HIS 239 0.900 26.256 36.422 38.774 -99.200 -91.000 TYR 240 0.840 19.045 39.357 39.266 -99.200 -91.000 TRP 241 1.040 23.388 38.997 43.017 -99.200 -91.000 TRP6 241 1.020 22.911 37.317 41.418 -99.200 -91.000 HIS 245 0.900 29.342 24.246 33.743 -99.200 -91.000 PHE 249 1.000 26.611 21.729 21.475 -99.200 -91.000 PHE 266 1.000 9.515 36.982 27.061 -99.200 -91.000