============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 4 1.000 -21.555 22.297 -72.295 -99.200 -91.000 PHE 19 1.000 -10.485 26.940 -71.940 -99.200 -91.000 TYR 42 0.840 -3.527 12.826 -67.759 -99.200 -91.000 TYR 43 0.840 -1.214 15.918 -70.912 -99.200 -91.000 TYR 66 0.840 6.560 19.588 -56.763 -99.200 -91.000 HIS 73 0.900 15.174 21.103 -69.006 -99.200 -91.000 TRP 81 1.040 7.058 18.101 -73.161 -99.200 -91.000 TRP6 81 1.020 5.002 17.671 -72.115 -99.200 -91.000 HIS 89 0.900 -1.662 20.011 -82.035 -99.200 -91.000 TRP 100 1.040 7.293 23.714 -62.907 -99.200 -91.000 TRP6 100 1.020 6.200 22.659 -61.066 -99.200 -91.000 HIS 101 0.900 13.540 28.123 -61.295 -99.200 -91.000 HIS 107 0.900 15.827 17.164 -50.933 -99.200 -91.000 PHE 161 1.000 10.003 31.576 -66.385 -99.200 -91.000 PHE 173 1.000 3.467 21.579 -75.357 -99.200 -91.000 HIS 179 0.900 2.334 27.442 -61.459 -99.200 -91.000 HIS 182 0.900 -1.501 26.973 -57.860 -99.200 -91.000 TYR 184 0.840 4.944 25.588 -57.455 -99.200 -91.000 HIS 187 0.900 2.117 33.395 -55.275 -99.200 -91.000 PHE 189 1.000 12.412 37.112 -57.526 -99.200 -91.000 TYR 201 0.840 14.633 42.293 -60.601 -99.200 -91.000 TRP 223 1.040 5.090 31.596 -80.765 -99.200 -91.000 TRP6 223 1.020 4.308 29.635 -79.710 -99.200 -91.000 PHE 238 1.000 -3.786 30.223 -53.734 -99.200 -91.000 TYR 253 0.840 1.610 47.467 -60.689 -99.200 -91.000 TYR 265 0.840 -4.329 31.377 -70.953 -99.200 -91.000 HIS 267 0.900 -5.884 28.795 -65.456 -99.200 -91.000 TYR 275 0.840 -10.717 35.396 -56.988 -99.200 -91.000 PHE 279 1.000 -10.063 40.621 -57.180 -99.200 -91.000 PHE 287 1.000 -6.251 39.837 -69.415 -99.200 -91.000 HIS 288 0.900 -9.034 46.095 -71.882 -99.200 -91.000 TYR 297 0.840 -14.972 28.508 -61.383 -99.200 -91.000 PHE 316 1.000 -15.205 22.414 -64.761 -99.200 -91.000 TYR 320 0.840 -11.137 17.964 -68.573 -99.200 -91.000 PHE 344 1.000 -6.289 13.254 -57.254 -99.200 -91.000 TYR 345 0.840 0.184 15.018 -56.119 -99.200 -91.000 TYR 352 0.840 -1.216 9.721 -66.262 -99.200 -91.000 TYR 355 0.840 -9.779 8.392 -62.440 -99.200 -91.000