============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 2 0.840 47.521 43.732 70.537 -99.200 -91.000 TYR 11 0.840 24.444 67.456 74.566 -99.200 -91.000 TRP 32 1.040 40.605 88.651 60.890 -99.200 -91.000 TRP6 32 1.020 40.901 87.067 62.623 -99.200 -91.000 HIS 43 0.900 26.532 72.623 68.089 -99.200 -91.000 PHE 56 1.000 23.250 60.804 81.387 -99.200 -91.000 HIS 85 0.900 30.753 70.760 92.038 -99.200 -91.000 PHE 87 1.000 37.204 67.785 97.355 -99.200 -91.000 PHE 106 1.000 41.939 58.217 86.323 -99.200 -91.000 PHE 115 1.000 38.963 60.597 73.198 -99.200 -91.000 TYR 117 0.840 48.820 63.942 77.787 -99.200 -91.000 TYR 125 0.840 44.441 51.658 84.847 -99.200 -91.000 TYR 133 0.840 33.222 45.286 77.950 -99.200 -91.000 PHE 157 1.000 39.303 78.134 73.035 -99.200 -91.000 HIS 178 0.900 53.591 56.961 69.534 -99.200 -91.000 HIS 180 0.900 56.490 63.301 72.762 -99.200 -91.000 TYR 185 0.840 57.094 76.056 73.940 -99.200 -91.000 HIS 204 0.900 37.021 86.440 81.936 -99.200 -91.000 PHE 213 1.000 49.035 78.631 62.535 -99.200 -91.000 HIS 222 0.900 59.063 68.234 65.682 -99.200 -91.000 TRP 240 1.040 38.823 57.368 57.105 -99.200 -91.000 TRP6 240 1.020 37.730 59.045 55.841 -99.200 -91.000 HIS 244 0.900 41.891 70.206 69.680 -99.200 -91.000 HIS 272 0.900 31.292 69.404 65.767 -99.200 -91.000 PHE 304 1.000 50.741 72.210 70.693 -99.200 -91.000 PHE 308 1.000 52.311 75.675 73.813 -99.200 -91.000 TRP 310 1.040 53.456 67.249 71.295 -99.200 -91.000 TRP6 310 1.020 54.634 68.799 72.653 -99.200 -91.000 PHE 317 1.000 38.133 53.092 64.881 -99.200 -91.000