============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 4 0.840 -13.488 -55.025 23.886 -99.200 -91.000 PHE 8 1.000 -9.914 -62.538 21.344 -99.200 -91.000 PHE 11 1.000 -4.039 -63.279 23.584 -99.200 -91.000 PHE 20 1.000 -7.494 -63.193 8.807 -99.200 -91.000 PHE 23 1.000 -6.702 -71.922 7.673 -99.200 -91.000 TYR 30 0.840 -13.040 -66.985 9.977 -99.200 -91.000 PHE 31 1.000 -7.585 -73.210 12.933 -99.200 -91.000 PHE 32 1.000 -11.122 -67.519 17.416 -99.200 -91.000 PHE 37 1.000 -6.094 -66.987 22.573 -99.200 -91.000 PHE 49 1.000 -7.415 -59.147 24.866 -99.200 -91.000 TYR 50 0.840 -13.847 -65.087 27.076 -99.200 -91.000 PHE 61 1.000 -21.471 -60.542 35.447 -99.200 -91.000 PHE 65 1.000 -22.487 -72.702 35.338 -99.200 -91.000 TYR 69 0.840 -14.793 -81.885 32.197 -99.200 -91.000 HIS 85 0.900 -5.829 -56.485 35.391 -99.200 -91.000 HIS 86 0.900 -12.378 -54.515 33.820 -99.200 -91.000 TYR 92 0.840 -15.192 -69.986 40.731 -99.200 -91.000 PHE 94 1.000 -15.742 -75.377 38.701 -99.200 -91.000 PHE 155 1.000 -30.816 -73.273 26.221 -99.200 -91.000 TYR 171 0.840 -6.298 -56.666 12.584 -99.200 -91.000 HIS 181 0.900 2.523 -46.766 4.981 -99.200 -91.000 TYR 188 0.840 14.900 -42.151 6.758 -99.200 -91.000 TYR 192 0.840 18.869 -40.119 4.913 -99.200 -91.000