============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. HIS 8 0.900 26.044 25.115 108.642 -99.200 -91.000 PHE 25 1.000 29.939 32.818 113.695 -99.200 -91.000 TYR 28 0.840 33.107 43.332 109.794 -99.200 -91.000 TRP 41 1.040 41.804 33.868 91.397 -99.200 -91.000 TRP6 41 1.020 39.820 32.863 92.234 -99.200 -91.000 TYR 53 0.840 38.807 41.368 113.658 -99.200 -91.000 HIS 57 0.900 37.899 46.741 118.267 -99.200 -91.000 PHE 77 1.000 25.675 36.624 108.391 -99.200 -91.000 TYR 85 0.840 30.093 39.009 101.081 -99.200 -91.000 PHE 103 1.000 35.306 31.818 108.402 -99.200 -91.000 TRP 117 1.040 29.155 29.868 88.217 -99.200 -91.000 TRP6 117 1.020 31.148 30.799 89.078 -99.200 -91.000 HIS 122 0.900 25.414 25.383 103.452 -99.200 -91.000 TYR 124 0.840 30.203 23.314 107.258 -99.200 -91.000 HIS 127 0.900 31.960 27.353 119.191 -99.200 -91.000 PHE 147 1.000 30.924 32.986 155.111 -99.200 -91.000 TYR 155 0.840 32.471 34.838 148.467 -99.200 -91.000 PHE 170 1.000 43.404 30.215 126.318 -99.200 -91.000 PHE 173 1.000 41.247 32.094 131.062 -99.200 -91.000 TYR 210 0.840 36.287 47.025 137.443 -99.200 -91.000 HIS 233 0.900 50.503 26.633 132.131 -99.200 -91.000 PHE 242 1.000 36.903 37.514 146.146 -99.200 -91.000 TRP 260 1.040 29.658 36.798 135.849 -99.200 -91.000 TRP6 260 1.020 27.956 36.283 134.292 -99.200 -91.000 TRP 270 1.040 33.046 42.401 131.183 -99.200 -91.000 TRP6 270 1.020 33.520 40.263 132.023 -99.200 -91.000 PHE 291 1.000 24.816 36.330 156.425 -99.200 -91.000 PHE 300 1.000 12.021 43.705 182.602 -99.200 -91.000 PHE 313 1.000 17.779 38.325 177.266 -99.200 -91.000 HIS 316 0.900 26.980 31.713 175.486 -99.200 -91.000 PHE 339 1.000 23.784 40.688 170.704 -99.200 -91.000 HIS 353 0.900 27.710 31.902 157.074 -99.200 -91.000 TYR 365 0.840 22.427 25.230 154.667 -99.200 -91.000 TRP 369 1.040 26.407 28.743 163.415 -99.200 -91.000 TRP6 369 1.020 27.628 29.827 165.117 -99.200 -91.000 PHE 376 1.000 22.607 30.070 166.063 -99.200 -91.000 TYR 387 0.840 10.832 42.451 187.274 -99.200 -91.000