============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 73 rings ring int. center anis. iso. TYR 22 0.840 23.796 49.695 143.716 -99.200 -91.000 HIS 41 0.900 -9.529 58.894 133.282 -99.200 -91.000 HIS 43 0.900 -12.357 59.769 143.309 -99.200 -91.000 PHE 73 1.000 -0.160 46.886 148.428 -99.200 -91.000 TYR 83 0.840 -8.360 45.459 146.660 -99.200 -91.000 TYR 92 0.840 -1.905 56.450 142.887 -99.200 -91.000 TYR 119 0.840 -9.977 54.182 133.375 -99.200 -91.000 TYR 125 0.840 -13.116 65.480 145.893 -99.200 -91.000 HIS 140 0.900 -9.570 54.210 150.290 -99.200 -91.000 HIS 152 0.900 -9.518 65.761 167.555 -99.200 -91.000 PHE 155 1.000 -0.274 64.036 175.746 -99.200 -91.000 PHE 162 1.000 -1.649 77.877 175.380 -99.200 -91.000 TYR 173 0.840 5.372 78.785 161.529 -99.200 -91.000 PHE 175 1.000 6.234 73.281 157.746 -99.200 -91.000 HIS 180 0.900 10.569 58.927 150.062 -99.200 -91.000 HIS 182 0.900 14.252 55.673 145.757 -99.200 -91.000 TYR 192 0.840 5.676 30.374 139.746 -99.200 -91.000 TYR 209 0.840 8.648 40.345 159.122 -99.200 -91.000 TYR 210 0.840 7.479 46.010 157.616 -99.200 -91.000 HIS 212 0.900 9.448 35.668 152.842 -99.200 -91.000 PHE 232 1.000 26.622 46.063 147.293 -99.200 -91.000 PHE 237 1.000 18.116 58.763 151.106 -99.200 -91.000 HIS 245 0.900 2.747 50.716 142.904 -99.200 -91.000 PHE 246 1.000 8.429 48.958 142.917 -99.200 -91.000 PHE 271 1.000 10.217 62.691 141.170 -99.200 -91.000 HIS 274 0.900 4.964 61.348 147.397 -99.200 -91.000 TRP 279 1.040 0.334 71.590 151.521 -99.200 -91.000 TRP6 279 1.020 -1.531 71.955 152.955 -99.200 -91.000 TYR 308 0.840 -5.167 53.250 147.041 -99.200 -91.000 TYR 311 0.840 5.254 53.311 157.121 -99.200 -91.000 TYR 318 0.840 6.786 58.747 164.387 -99.200 -91.000 HIS 324 0.900 4.451 64.910 174.453 -99.200 -91.000 TYR 327 0.840 12.806 72.997 173.130 -99.200 -91.000 HIS 328 0.900 9.001 70.580 182.426 -99.200 -91.000 HIS 334 0.900 -0.967 65.916 167.931 -99.200 -91.000 TRP 337 1.040 -8.776 67.229 161.994 -99.200 -91.000 TRP6 337 1.020 -7.800 69.062 163.134 -99.200 -91.000 TYR 340 0.840 -7.949 57.777 152.882 -99.200 -91.000 HIS 352 0.900 6.541 57.974 159.339 -99.200 -91.000 PHE 361 1.000 8.118 74.176 170.634 -99.200 -91.000 TYR 390 0.840 11.146 65.372 181.348 -99.200 -91.000 TYR 394 0.840 3.055 60.224 172.769 -99.200 -91.000 TYR 401 0.840 18.000 66.742 177.228 -99.200 -91.000 TRP 416 1.040 24.256 82.569 169.007 -99.200 -91.000 TRP6 416 1.020 22.775 82.040 167.230 -99.200 -91.000 HIS 435 0.900 12.872 65.167 170.009 -99.200 -91.000 PHE 436 1.000 12.360 59.956 163.753 -99.200 -91.000 HIS 445 0.900 3.696 42.993 160.442 -99.200 -91.000 TRP 446 1.040 1.723 44.454 168.007 -99.200 -91.000 TRP6 446 1.020 -0.230 45.305 169.053 -99.200 -91.000 HIS 451 0.900 11.034 44.346 170.441 -99.200 -91.000 PHE 460 1.000 38.337 24.461 158.038 -99.200 -91.000 TYR 513 0.840 10.452 49.871 161.031 -99.200 -91.000 PHE 519 1.000 19.013 51.316 171.905 -99.200 -91.000 PHE 558