============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 3 1.000 47.908 34.038 32.787 -99.200 -91.000 TRP 13 1.040 54.514 46.873 18.125 -99.200 -91.000 TRP6 13 1.020 54.515 46.851 15.755 -99.200 -91.000 TYR 28 0.840 56.591 42.249 16.607 -99.200 -91.000 HIS 31 0.900 48.679 39.721 21.428 -99.200 -91.000 PHE 35 1.000 42.624 32.082 18.473 -99.200 -91.000 TYR 49 0.840 46.317 32.217 -5.450 -99.200 -91.000 HIS 50 0.900 49.002 29.357 4.214 -99.200 -91.000 TRP 57 1.040 38.814 38.370 11.719 -99.200 -91.000 TRP6 57 1.020 39.846 39.949 13.172 -99.200 -91.000 PHE 58 1.000 43.463 37.339 5.814 -99.200 -91.000 TYR 59 0.840 40.136 45.670 12.172 -99.200 -91.000 PHE 79 1.000 42.023 30.972 -10.650 -99.200 -91.000 TYR 90 0.840 36.873 36.972 3.747 -99.200 -91.000 HIS 98 0.900 45.233 31.744 2.387 -99.200 -91.000 PHE 103 1.000 47.267 46.778 -2.633 -99.200 -91.000 TRP 125 1.040 54.396 29.750 -6.714 -99.200 -91.000 TRP6 125 1.020 55.401 28.263 -5.172 -99.200 -91.000 TYR 126 0.840 45.879 28.213 -8.585 -99.200 -91.000 HIS 129 0.900 48.863 32.253 -21.816 -99.200 -91.000 HIS 135 0.900 56.486 22.983 -7.191 -99.200 -91.000 PHE 155 1.000 57.386 28.554 -8.402 -99.200 -91.000 PHE 165 1.000 52.794 18.516 -19.582 -99.200 -91.000 HIS 166 0.900 48.603 21.841 -18.043 -99.200 -91.000 TYR 172 0.840 59.120 35.274 -14.253 -99.200 -91.000