============================================================================= 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. TYR 15 0.840 13.070 5.631 14.543 -99.200 -91.000 PHE 25 1.000 15.234 14.892 12.478 -99.200 -91.000 TYR 28 0.840 13.494 7.395 19.142 -99.200 -91.000 PHE 40 1.000 3.622 15.852 17.568 -99.200 -91.000 TYR 45 0.840 13.656 17.353 25.967 -99.200 -91.000 PHE 48 1.000 10.728 13.062 23.475 -99.200 -91.000 HIS 58 0.900 11.637 20.393 17.908 -99.200 -91.000 TRP 59 1.040 11.603 13.412 15.735 -99.200 -91.000 TRP6 59 1.020 11.859 11.071 15.533 -99.200 -91.000 TYR 74 0.840 -1.327 18.265 17.835 -99.200 -91.000 TRP 82 1.040 1.679 24.697 18.373 -99.200 -91.000 TRP6 82 1.020 1.968 23.195 20.177 -99.200 -91.000 PHE 99 1.000 12.677 -19.933 24.558 -99.200 -91.000 PHE 118 1.000 3.130 -14.024 26.320 -99.200 -91.000 TRP 125 1.040 9.451 -23.084 30.693 -99.200 -91.000 TRP6 125 1.020 9.695 -21.974 28.620 -99.200 -91.000 TYR 141 0.840 3.301 -7.305 33.385 -99.200 -91.000 PHE 152 1.000 2.129 -10.848 22.802 -99.200 -91.000 PHE 155 1.000 -0.954 -13.593 16.651 -99.200 -91.000 PHE 167 1.000 -4.681 -12.591 26.221 -99.200 -91.000 PHE 173 1.000 0.223 -9.143 28.671 -99.200 -91.000 PHE 177 1.000 -7.124 -13.846 29.955 -99.200 -91.000 TYR 207 0.840 4.672 -8.067 25.489 -99.200 -91.000 PHE 212 1.000 16.404 -2.766 21.653 -99.200 -91.000 TRP 268 1.040 -1.778 9.105 5.983 -99.200 -91.000 TRP6 268 1.020 -0.375 8.837 4.095 -99.200 -91.000 PHE 272 1.000 -0.705 -6.852 9.553 -99.200 -91.000 TYR 283 0.840 -2.555 -10.222 13.541 -99.200 -91.000 TYR 288 0.840 6.809 -14.510 14.294 -99.200 -91.000 PHE 293 1.000 2.862 -1.557 8.430 -99.200 -91.000 PHE 298 1.000 8.908 13.697 12.125 -99.200 -91.000 TYR 302 0.840 8.077 20.808 12.930 -99.200 -91.000 PHE 314 1.000 13.531 10.990 9.583 -99.200 -91.000 PHE 315 1.000 8.257 12.939 7.244 -99.200 -91.000 HIS 318 0.900 12.654 6.335 8.036 -99.200 -91.000 TYR 319 0.840 8.570 7.898 5.235 -99.200 -91.000 PHE 334 1.000 12.783 -2.652 13.750 -99.200 -91.000 TRP 341 1.040 2.475 1.083 2.151 -99.200 -91.000 TRP6 341 1.020 1.509 2.501 3.774 -99.200 -91.000 PHE 349 1.000 1.739 12.871 5.287 -99.200 -91.000 HIS 374 0.900 6.213 31.081 25.848 -99.200 -91.000