============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 3 1.000 77.471 35.014 57.418 -99.200 -91.000 PHE 8 1.000 77.262 33.147 71.459 -99.200 -91.000 TRP 31 1.040 70.309 35.915 92.482 -99.200 -91.000 TRP6 31 1.020 68.317 34.644 92.642 -99.200 -91.000 TYR 37 0.840 77.746 40.957 90.091 -99.200 -91.000 HIS 41 0.900 71.948 54.275 85.657 -99.200 -91.000 TYR 54 0.840 76.696 57.627 91.091 -99.200 -91.000 HIS 64 0.900 65.653 47.682 106.368 -99.200 -91.000 PHE 66 1.000 70.146 49.383 97.582 -99.200 -91.000 HIS 80 0.900 73.743 49.035 101.260 -99.200 -91.000 TYR 101 0.840 79.544 33.846 87.286 -99.200 -91.000 PHE 103 1.000 81.183 39.059 86.516 -99.200 -91.000 PHE 112 1.000 78.150 43.346 73.427 -99.200 -91.000 TYR 118 0.840 62.843 47.456 78.057 -99.200 -91.000 TYR 126 0.840 69.991 44.209 70.831 -99.200 -91.000 HIS 134 0.900 86.697 52.701 73.084 -99.200 -91.000 PHE 140 1.000 70.268 48.408 75.219 -99.200 -91.000 PHE 150 1.000 74.086 36.397 76.319 -99.200 -91.000 TYR 154 0.840 82.507 23.368 73.158 -99.200 -91.000 PHE 159 1.000 76.625 36.706 82.561 -99.200 -91.000 TYR 161 0.840 76.918 47.126 77.102 -99.200 -91.000 HIS 163 0.900 72.011 50.554 77.860 -99.200 -91.000 HIS 164 0.900 76.260 51.408 83.806 -99.200 -91.000 HIS 172 0.900 71.816 52.239 72.752 -99.200 -91.000 PHE 181 1.000 79.917 54.134 82.057 -99.200 -91.000 TYR 182 0.840 83.369 47.400 77.680 -99.200 -91.000 PHE 185 1.000 81.339 57.227 75.834 -99.200 -91.000 TRP 207 1.040 79.650 40.109 55.451 -99.200 -91.000 TRP6 207 1.020 79.511 41.422 53.496 -99.200 -91.000 TYR 209 0.840 89.766 35.770 53.751 -99.200 -91.000 TRP 218 1.040 79.987 39.799 43.503 -99.200 -91.000 TRP6 218 1.020 80.582 42.090 43.578 -99.200 -91.000 PHE 219 1.000 83.889 39.231 47.290 -99.200 -91.000 PHE 223 1.000 93.846 45.389 39.768 -99.200 -91.000 PHE 230 1.000 93.094 47.636 53.164 -99.200 -91.000 TYR 237 0.840 87.409 55.115 50.014 -99.200 -91.000 TYR 239 0.840 86.169 50.262 55.440 -99.200 -91.000 HIS 246 0.900 93.590 44.456 63.381 -99.200 -91.000 PHE 291 1.000 77.651 38.807 60.365 -99.200 -91.000 PHE 294 1.000 84.884 31.709 67.928 -99.200 -91.000