============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 18 0.840 3.333 13.079 67.194 -99.200 -91.000 TRP 27 1.040 7.769 25.417 62.288 -99.200 -91.000 TRP6 27 1.020 9.013 26.224 60.465 -99.200 -91.000 PHE 34 1.000 5.118 16.755 64.023 -99.200 -91.000 PHE 38 1.000 4.716 9.628 57.389 -99.200 -91.000 PHE 42 1.000 6.271 4.401 54.711 -99.200 -91.000 TYR 45 0.840 6.311 -0.681 59.070 -99.200 -91.000 HIS 50 0.900 17.972 7.470 49.801 -99.200 -91.000 HIS 62 0.900 3.500 13.254 36.712 -99.200 -91.000 TYR 83 0.840 -7.769 4.786 42.168 -99.200 -91.000 TYR 92 0.840 -1.372 11.711 35.722 -99.200 -91.000 PHE 107 1.000 -9.055 -10.970 44.094 -99.200 -91.000 HIS 129 0.900 3.354 -5.134 45.889 -99.200 -91.000 TYR 131 0.840 -8.415 -5.649 46.485 -99.200 -91.000 HIS 147 0.900 13.212 -9.639 28.607 -99.200 -91.000 TYR 163 0.840 7.755 -12.196 47.363 -99.200 -91.000 PHE 177 1.000 4.666 1.947 50.660 -99.200 -91.000 PHE 179 1.000 1.538 7.477 53.563 -99.200 -91.000 PHE 180 1.000 -8.689 8.915 49.484 -99.200 -91.000 TYR 217 0.840 15.076 32.754 46.315 -99.200 -91.000 TRP 218 1.040 19.663 28.126 38.182 -99.200 -91.000 TRP6 218 1.020 19.667 30.130 36.903 -99.200 -91.000 PHE 219 1.000 12.613 27.477 40.525 -99.200 -91.000 PHE 224 1.000 6.183 17.002 37.852 -99.200 -91.000 TYR 226 0.840 3.334 16.031 41.544 -99.200 -91.000 HIS 246 0.900 -3.440 2.297 63.454 -99.200 -91.000 TRP 256 1.040 -13.300 -11.757 65.290 -99.200 -91.000 TRP6 256 1.020 -13.184 -9.465 65.964 -99.200 -91.000 TYR 257 0.840 -14.978 -9.987 57.057 -99.200 -91.000 HIS 272 0.900 -4.283 -18.874 47.626 -99.200 -91.000 HIS 279 0.900 -3.741 -10.189 51.882 -99.200 -91.000 PHE 281 1.000 -6.504 -10.695 54.222 -99.200 -91.000 TRP 282 1.040 -7.104 -0.502 51.805 -99.200 -91.000 TRP6 282 1.020 -7.912 -0.175 49.601 -99.200 -91.000 TYR 284 0.840 -12.184 -11.879 54.223 -99.200 -91.000 PHE 314 1.000 -9.179 -1.053 42.925 -99.200 -91.000 HIS 315 0.900 -16.138 -0.946 37.507 -99.200 -91.000 HIS 318 0.900 -9.667 -5.125 29.789 -99.200 -91.000 TYR 323 0.840 -5.941 4.362 30.863 -99.200 -91.000 HIS 325 0.900 -6.301 3.967 24.689 -99.200 -91.000 HIS 347 0.900 -13.616 0.207 59.879 -99.200 -91.000