============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 17 0.840 160.798 123.102 -97.834 -99.200 -91.000 PHE 28 1.000 161.726 116.874 -81.533 -99.200 -91.000 HIS 59 0.900 171.591 137.955-118.949 -99.200 -91.000 TYR 60 0.840 170.726 132.638-120.440 -99.200 -91.000 TYR 61 0.840 163.384 139.047-125.790 -99.200 -91.000 HIS 62 0.900 169.934 142.884-122.876 -99.200 -91.000 HIS 65 0.900 165.037 141.999-129.416 -99.200 -91.000 PHE 69 1.000 173.301 134.171-127.327 -99.200 -91.000 HIS 103 0.900 159.993 111.826-103.096 -99.200 -91.000 PHE 105 1.000 156.416 118.730 -95.768 -99.200 -91.000 HIS 112 0.900 149.928 118.832 -97.159 -99.200 -91.000 TYR 116 0.840 143.801 130.854 -91.890 -99.200 -91.000 PHE 153 1.000 151.057 154.077-101.980 -99.200 -91.000 TRP 195 1.040 157.336 142.400-116.087 -99.200 -91.000 TRP6 195 1.020 156.392 141.012-117.760 -99.200 -91.000 PHE 207 1.000 159.726 159.087 -98.052 -99.200 -91.000 HIS 210 0.900 169.221 153.508-100.275 -99.200 -91.000 PHE 224 1.000 171.490 146.994-108.771 -99.200 -91.000 PHE 233 1.000 164.528 149.480-113.177 -99.200 -91.000 PHE 235 1.000 166.408 152.897-110.868 -99.200 -91.000 PHE 281 1.000 148.340 135.878 -93.170 -99.200 -91.000 PHE 306 1.000 165.110 131.610 -83.859 -99.200 -91.000 TYR 314 0.840 159.927 126.244 -79.491 -99.200 -91.000 HIS 327 0.900 169.347 133.883 -97.806 -99.200 -91.000 HIS 346 0.900 175.029 129.699 -80.485 -99.200 -91.000 TYR 349 0.840 168.877 137.107 -87.222 -99.200 -91.000 TYR 357 0.840 169.331 135.740-106.665 -99.200 -91.000 HIS 359 0.900 174.263 140.056-116.653 -99.200 -91.000 TRP 364 1.040 174.372 143.570 -98.520 -99.200 -91.000 TRP6 364 1.020 172.873 144.003-100.296 -99.200 -91.000 TYR 379 0.840 185.442 151.778 -92.992 -99.200 -91.000 PHE 384 1.000 190.897 142.810-109.501 -99.200 -91.000 PHE 386 1.000 183.231 140.980-110.544 -99.200 -91.000 HIS 417 0.900 179.297 145.661 -98.687 -99.200 -91.000 TYR 436 0.840 186.608 128.219 -89.896 -99.200 -91.000 HIS 448 0.900 190.151 132.560-103.991 -99.200 -91.000 HIS 450 0.900 193.841 132.842-114.470 -99.200 -91.000 PHE 457 1.000 185.757 137.044-101.163 -99.200 -91.000 PHE 466 1.000 201.745 144.197-100.741 -99.200 -91.000 PHE 472 1.000 192.049 148.927-111.219 -99.200 -91.000