============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 3 0.840 -37.721 23.484 56.550 -99.200 -91.000 PHE 29 1.000 -28.956 25.946 39.822 -99.200 -91.000 HIS 31 0.900 -29.792 27.803 51.154 -99.200 -91.000 PHE 35 1.000 -29.600 20.800 58.624 -99.200 -91.000 PHE 41 1.000 -32.398 12.301 63.096 -99.200 -91.000 HIS 50 0.900 -46.348 11.508 62.210 -99.200 -91.000 HIS 56 0.900 -40.878 0.323 58.175 -99.200 -91.000 TRP 60 1.040 -37.803 -0.581 49.254 -99.200 -91.000 TRP6 60 1.020 -38.084 1.330 47.887 -99.200 -91.000 PHE 61 1.000 -34.222 5.126 49.341 -99.200 -91.000 TYR 70 0.840 -39.004 -3.294 54.345 -99.200 -91.000 HIS 72 0.900 -47.582 -1.922 48.472 -99.200 -91.000 TRP 79 1.040 -40.625 5.217 47.228 -99.200 -91.000 TRP6 79 1.020 -39.560 6.069 45.292 -99.200 -91.000 TRP 82 1.040 -43.917 8.473 42.421 -99.200 -91.000 TRP6 82 1.020 -44.292 10.006 40.661 -99.200 -91.000 TYR 93 0.840 -33.862 7.950 45.018 -99.200 -91.000 TRP 97 1.040 -28.335 4.738 47.183 -99.200 -91.000 TRP6 97 1.020 -29.009 5.010 49.439 -99.200 -91.000 TRP 100 1.040 -23.307 2.290 38.014 -99.200 -91.000 TRP6 100 1.020 -23.835 4.585 38.263 -99.200 -91.000 HIS 107 0.900 -25.727 -6.304 37.801 -99.200 -91.000 TRP 132 1.040 -27.781 11.992 36.719 -99.200 -91.000 TRP6 132 1.020 -30.002 12.709 37.099 -99.200 -91.000 HIS 146 0.900 -32.844 10.647 47.804 -99.200 -91.000 PHE 148 1.000 -23.527 14.644 43.434 -99.200 -91.000 PHE 149 1.000 -25.341 8.857 49.486 -99.200 -91.000 PHE 151 1.000 -21.293 8.607 53.505 -99.200 -91.000 TYR 152 0.840 -13.724 16.063 55.480 -99.200 -91.000 TYR 163 0.840 -26.311 19.055 43.201 -99.200 -91.000 PHE 170 1.000 -45.255 23.315 54.286 -99.200 -91.000 PHE 175 1.000 -39.414 10.898 53.655 -99.200 -91.000 TYR 180 0.840 -29.333 11.151 51.693 -99.200 -91.000 HIS 185 0.900 -26.861 10.083 64.408 -99.200 -91.000 PHE 198 1.000 -27.609 15.865 55.254 -99.200 -91.000 TRP 200 1.040 -30.554 19.425 51.305 -99.200 -91.000 TRP6 200 1.020 -31.141 21.404 50.150 -99.200 -91.000 HIS 206 0.900 -39.039 23.087 43.527 -99.200 -91.000 TYR 208 0.840 -44.498 22.383 43.840 -99.200 -91.000 HIS 211 0.900 -47.330 22.988 49.117 -99.200 -91.000 HIS 216 0.900 -46.679 33.930 53.814 -99.200 -91.000 PHE 239 1.000 -25.349 -3.913 52.932 -99.200 -91.000 TYR 241 0.840 -27.844 -0.195 61.578 -99.200 -91.000 PHE 243 1.000 -40.154 1.408 62.337 -99.200 -91.000 PHE 246 1.000 -32.503 3.057 62.863 -99.200 -91.000 TYR 251 0.840 -40.244 15.659 66.558 -99.200 -91.000 HIS 254 0.900 -44.120 25.310 67.430 -99.200 -91.000