============================================================================= 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 26 0.840 20.112 -36.440 33.031 -99.200 -91.000 PHE 28 1.000 15.257 -37.323 37.527 -99.200 -91.000 TRP 32 1.040 23.645 -44.279 41.271 -99.200 -91.000 TRP6 32 1.020 22.744 -44.750 43.409 -99.200 -91.000 TRP 35 1.040 21.385 -33.422 45.985 -99.200 -91.000 TRP6 35 1.020 20.681 -31.218 45.414 -99.200 -91.000 TRP 46 1.040 28.620 -38.260 47.912 -99.200 -91.000 TRP6 46 1.020 27.806 -39.895 49.421 -99.200 -91.000 TYR 51 0.840 19.464 -46.052 39.480 -99.200 -91.000 TYR 55 0.840 11.384 -43.223 43.897 -99.200 -91.000 TYR 59 0.840 20.422 -39.716 53.094 -99.200 -91.000 PHE 63 1.000 27.289 -32.963 55.046 -99.200 -91.000 TYR 79 0.840 12.060 -31.317 44.506 -99.200 -91.000 TYR 92 0.840 24.578 -26.912 50.751 -99.200 -91.000 TYR 93 0.840 29.079 -26.902 42.885 -99.200 -91.000 HIS 98 0.900 24.103 -44.199 31.913 -99.200 -91.000 TYR 99 0.840 22.869 -48.859 38.369 -99.200 -91.000 TYR 101 0.840 30.655 -44.072 29.178 -99.200 -91.000 TYR 106 0.840 26.202 -31.117 33.089 -99.200 -91.000 TRP 107 1.040 30.754 -32.032 39.151 -99.200 -91.000 TRP6 107 1.020 31.151 -31.654 41.455 -99.200 -91.000 TYR 126 0.840 26.153 3.825 42.955 -99.200 -91.000 TYR 141 0.840 25.956 -7.658 45.951 -99.200 -91.000 PHE 142 1.000 22.969 -10.406 53.437 -99.200 -91.000 TRP 150 1.040 31.519 -5.992 31.440 -99.200 -91.000 TRP6 150 1.020 30.926 -3.843 32.231 -99.200 -91.000 HIS 152 0.900 40.758 -8.347 34.289 -99.200 -91.000 PHE 154 1.000 38.726 -6.472 39.756 -99.200 -91.000 TYR 163 0.840 28.692 -10.322 51.067 -99.200 -91.000