============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 29 1.000 10.766 19.006 7.112 -99.200 -91.000 HIS 40 0.900 5.370 8.153 -13.776 -99.200 -91.000 HIS 62 0.900 7.739 14.966 -27.444 -99.200 -91.000 TYR 72 0.840 17.072 25.280 -13.777 -99.200 -91.000 HIS 73 0.900 14.734 22.935 -21.792 -99.200 -91.000 HIS 144 0.900 21.916 1.961 4.422 -99.200 -91.000 PHE 171 1.000 11.526 -15.383 -6.266 -99.200 -91.000 TRP 174 1.040 10.824 -20.096 -3.287 -99.200 -91.000 TRP6 174 1.020 10.031 -19.846 -5.501 -99.200 -91.000 HIS 181 0.900 12.276 -24.445 -13.951 -99.200 -91.000 HIS 190 0.900 9.900 -6.682 -0.561 -99.200 -91.000 TRP 193 1.040 9.979 -2.328 2.885 -99.200 -91.000 TRP6 193 1.020 9.381 -0.230 3.809 -99.200 -91.000 HIS 217 0.900 33.454 0.023 4.160 -99.200 -91.000 PHE 220 1.000 25.436 4.428 9.177 -99.200 -91.000 TYR 224 0.840 32.300 -3.527 2.478 -99.200 -91.000 HIS 232 0.900 12.007 -8.853 11.292 -99.200 -91.000 HIS 238 0.900 11.730 -0.828 9.442 -99.200 -91.000 PHE 243 1.000 25.768 0.204 20.658 -99.200 -91.000 TRP 267 1.040 20.643 13.422 11.650 -99.200 -91.000 TRP6 267 1.020 19.777 11.310 12.277 -99.200 -91.000 PHE 280 1.000 5.488 -2.698 20.722 -99.200 -91.000 HIS 281 0.900 -2.117 -0.775 24.050 -99.200 -91.000 TRP 286 1.040 8.551 -7.579 15.725 -99.200 -91.000 TRP6 286 1.020 9.496 -6.008 17.224 -99.200 -91.000 PHE 288 1.000 14.771 -10.681 14.352 -99.200 -91.000 PHE 296 1.000 17.959 -16.161 -2.278 -99.200 -91.000 TYR 316 0.840 26.984 -5.887 -6.023 -99.200 -91.000 PHE 327 1.000 13.977 -12.197 -13.993 -99.200 -91.000 PHE 334 1.000 15.421 -14.081 -9.164 -99.200 -91.000 HIS 346 0.900 37.220 -14.659 -12.535 -99.200 -91.000 TRP 351 1.040 36.979 -1.475 -14.489 -99.200 -91.000 TRP6 351 1.020 37.416 0.705 -15.304 -99.200 -91.000 TRP 367 1.040 35.476 -3.413 -18.720 -99.200 -91.000 TRP6 367 1.020 34.873 -4.833 -16.915 -99.200 -91.000