============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 3 0.900 10.049 -2.593 13.917 -99.200 -91.000 TYR 7 0.840 1.381 10.188 10.872 -99.200 -91.000 PHE 8 1.000 2.335 6.534 3.048 -99.200 -91.000 PHE 9 1.000 -0.161 13.888 6.033 -99.200 -91.000 PHE 22 1.000 -5.392 16.373 4.330 -99.200 -91.000 TYR 27 0.840 -0.360 2.471 5.761 -99.200 -91.000 PHE 33 1.000 -0.385 5.007 13.487 -99.200 -91.000 PHE 36 1.000 -9.744 14.755 8.826 -99.200 -91.000 TRP 51 1.040 -1.501 -1.494 17.087 -99.200 -91.000 TRP6 51 1.020 -0.466 0.589 16.666 -99.200 -91.000 TYR 59 0.840 -2.674 9.415 19.415 -99.200 -91.000 TRP 60 1.040 -8.040 8.616 19.931 -99.200 -91.000 TRP6 60 1.020 -7.126 7.893 17.879 -99.200 -91.000 HIS 70 0.900 -0.467 17.762 9.117 -99.200 -91.000 HIS 74 0.900 -1.250 18.988 2.073 -99.200 -91.000 TYR 84 0.840 4.123 28.855 -6.246 -99.200 -91.000 TYR 85 0.840 3.703 23.948 -11.502 -99.200 -91.000 HIS 93 0.900 -4.584 21.193 -11.654 -99.200 -91.000 TYR 99 0.840 4.657 14.168 8.287 -99.200 -91.000 TRP 107 1.040 13.272 -1.171 18.491 -99.200 -91.000 TRP6 107 1.020 11.480 -1.052 20.031 -99.200 -91.000 PHE 109 1.000 16.859 10.039 12.300 -99.200 -91.000 TYR 113 0.840 10.886 8.155 5.474 -99.200 -91.000 HIS 114 0.900 7.851 17.169 4.075 -99.200 -91.000 TYR 116 0.840 3.535 19.578 -1.367 -99.200 -91.000 TYR 118 0.840 0.180 21.018 -8.710 -99.200 -91.000 TYR 123 0.840 6.205 22.223 -5.756 -99.200 -91.000 TRP 133 1.040 14.024 22.329 2.218 -99.200 -91.000 TRP6 133 1.020 12.347 20.870 3.012 -99.200 -91.000 HIS 145 0.900 14.978 30.253 -4.180 -99.200 -91.000 TRP 147 1.040 8.577 25.359 2.454 -99.200 -91.000 TRP6 147 1.020 8.134 23.124 1.913 -99.200 -91.000 HIS 151 0.900 16.278 29.845 9.362 -99.200 -91.000 TYR 159 0.840 7.348 14.589 13.235 -99.200 -91.000 TRP 167 1.040 4.822 10.478 20.421 -99.200 -91.000 TRP6 167 1.020 2.770 9.993 21.483 -99.200 -91.000 TYR 171 0.840 2.115 5.624 17.651 -99.200 -91.000 HIS 188 0.900 -1.760 -23.068 -2.481 -99.200 -91.000 HIS 191 0.900 0.740 -29.683 -13.440 -99.200 -91.000 HIS 192 0.900 -5.700 -25.076 -15.710 -99.200 -91.000 HIS 197 0.900 3.656 -27.543 -26.364 -99.200 -91.000 TRP 204 1.040 -1.216 -19.990 -5.375 -99.200 -91.000 TRP6 204 1.020 -2.381 -17.923 -5.466 -99.200 -91.000 PHE 208 1.000 3.418 -12.563 2.077 -99.200 -91.000 TYR 209 0.840 2.862 -7.096 9.489 -99.200 -91.000 TRP 217 1.040 8.282 -20.605 -9.961 -99.200 -91.000 TRP6 217 1.020 7.855 -22.871 -9.438 -99.200 -91.000 PHE 241 1.000 0.702 -6.750 3.369 -99.200 -91.000 TRP 244 1.040 -0.503 -15.320 -8.362 -99.200 -91.000 TRP6 244 1.020 0.157 -15.304 -10.634 -99.200 -91.000 TYR 257 0.840 10.739 -25.341 -14.580 -99.200 -91.000 HIS 260 0.900 14.983 -21.944 -4.661 -99.200 -91.000 HIS 263 0.900 7.544 -13.084 5.579 -99.200 -91.000 TRP 274 1.040 3.485 -31.113 -9.444 -99.200 -91.000 TRP6 274 1.020 1.575 -30.082 -8.495 -99.200 -91.000