============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 2 1.000 -6.074 -22.089 -58.870 -99.200 -91.000 TYR 9 0.840 -11.665 -34.551 -47.611 -99.200 -91.000 HIS 58 0.900 16.006 -32.758 -35.424 -99.200 -91.000 HIS 60 0.900 19.714 -29.589 -38.542 -99.200 -91.000 HIS 77 0.900 27.301 -15.064 -47.763 -99.200 -91.000 TRP 82 1.040 25.255 -27.034 -51.136 -99.200 -91.000 TRP6 82 1.020 24.469 -28.879 -52.384 -99.200 -91.000 PHE 95 1.000 7.858 -34.348 -45.958 -99.200 -91.000 TYR 106 0.840 20.674 -14.849 -35.832 -99.200 -91.000 HIS 138 0.900 25.309 -32.827 -31.171 -99.200 -91.000 HIS 141 0.900 29.977 -26.355 -35.265 -99.200 -91.000 PHE 148 1.000 43.108 -22.081 -35.508 -99.200 -91.000 TYR 150 0.840 34.446 -21.483 -34.175 -99.200 -91.000 TRP 160 1.040 20.968 -13.861 -14.884 -99.200 -91.000 TRP6 160 1.020 18.773 -13.031 -15.158 -99.200 -91.000 TYR 172 0.840 20.316 -9.739 -34.778 -99.200 -91.000 PHE 178 1.000 17.735 -26.901 -23.896 -99.200 -91.000 PHE 196 1.000 22.770 -25.325 -22.067 -99.200 -91.000 HIS 209 0.900 7.788 -22.532 -22.761 -99.200 -91.000 HIS 211 0.900 10.895 -12.564 -25.355 -99.200 -91.000 HIS 218 0.900 21.367 -33.675 -29.615 -99.200 -91.000 HIS 220 0.900 21.170 -38.733 -29.697 -99.200 -91.000 HIS 238 0.900 18.324 -36.373 -32.451 -99.200 -91.000 PHE 241 1.000 20.860 -44.397 -25.382 -99.200 -91.000 PHE 262 1.000 15.667 -42.560 -43.893 -99.200 -91.000 TYR 266 0.840 22.774 -40.791 -45.568 -99.200 -91.000 PHE 295 1.000 8.450 -44.533 -33.469 -99.200 -91.000 HIS 299 0.900 1.932 -45.150 -31.328 -99.200 -91.000 PHE 307 1.000 8.021 -38.011 -41.263 -99.200 -91.000 PHE 314 1.000 16.905 -38.075 -44.476 -99.200 -91.000 HIS 316 0.900 17.726 -31.093 -46.541 -99.200 -91.000 PHE 323 1.000 5.340 -40.111 -43.899 -99.200 -91.000 TYR 325 0.840 13.592 -47.074 -42.109 -99.200 -91.000 TRP 329 1.040 11.295 -49.940 -35.909 -99.200 -91.000 TRP6 329 1.020 12.172 -51.336 -34.203 -99.200 -91.000 PHE 348 1.000 6.127 -28.032 -37.183 -99.200 -91.000 PHE 360 1.000 -7.769 -26.564 -40.116 -99.200 -91.000 PHE 383 1.000 -2.281 -30.933 -56.821 -99.200 -91.000 TYR 391 0.840 4.613 -23.762 -54.946 -99.200 -91.000