============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 15 0.840 2.212 5.209 49.447 -99.200 -91.000 PHE 16 1.000 9.567 7.466 44.572 -99.200 -91.000 PHE 31 1.000 5.146 17.994 49.241 -99.200 -91.000 PHE 37 1.000 0.660 9.643 63.262 -99.200 -91.000 TYR 43 0.840 -0.974 9.263 78.595 -99.200 -91.000 HIS 50 0.900 -17.906 28.868 86.597 -99.200 -91.000 PHE 67 1.000 8.425 7.795 57.729 -99.200 -91.000 HIS 69 0.900 1.473 0.287 52.929 -99.200 -91.000 TRP 74 1.040 3.039 2.347 56.494 -99.200 -91.000 TRP6 74 1.020 2.459 3.916 54.833 -99.200 -91.000 TYR 77 0.840 15.592 5.610 51.414 -99.200 -91.000 TYR 81 0.840 14.490 18.566 54.760 -99.200 -91.000 PHE 82 1.000 9.802 12.781 60.387 -99.200 -91.000 PHE 88 1.000 -6.702 20.611 70.937 -99.200 -91.000 PHE 98 1.000 -10.751 24.840 73.549 -99.200 -91.000 PHE 103 1.000 -12.222 24.191 78.562 -99.200 -91.000 TYR 114 0.840 0.614 27.028 76.863 -99.200 -91.000 PHE 115 1.000 -6.714 22.262 76.250 -99.200 -91.000 HIS 135 0.900 18.933 20.266 59.110 -99.200 -91.000 PHE 145 1.000 14.133 24.026 63.868 -99.200 -91.000 HIS 160 0.900 -0.464 15.019 50.722 -99.200 -91.000 TYR 178 0.840 -1.861 28.420 51.360 -99.200 -91.000 PHE 182 1.000 -1.235 26.163 57.320 -99.200 -91.000 TYR 183 0.840 0.572 31.065 61.705 -99.200 -91.000 HIS 185 0.900 -2.221 36.271 63.300 -99.200 -91.000 HIS 188 0.900 -4.912 40.808 63.923 -99.200 -91.000 TYR 191 0.840 -7.154 42.303 73.472 -99.200 -91.000 TYR 194 0.840 -12.394 36.360 73.709 -99.200 -91.000 PHE 201 1.000 -7.426 37.705 75.553 -99.200 -91.000 TYR 203 0.840 -3.856 28.612 73.822 -99.200 -91.000 TYR 214 0.840 5.939 19.416 65.486 -99.200 -91.000 PHE 219 1.000 13.051 8.591 62.571 -99.200 -91.000 HIS 234 0.900 10.340 -3.869 63.275 -99.200 -91.000 PHE 235 1.000 14.305 3.423 64.403 -99.200 -91.000 HIS 238 0.900 5.005 6.888 70.372 -99.200 -91.000 TYR 252 0.840 5.566 15.913 85.639 -99.200 -91.000 PHE 265 1.000 2.836 18.395 76.466 -99.200 -91.000 TYR 267 0.840 3.106 12.877 78.117 -99.200 -91.000 TYR 286 0.840 20.329 6.549 49.064 -99.200 -91.000