============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 11 1.000 49.526 64.113 -81.272 -99.200 -91.000 TRP 15 1.040 37.297 55.962 -77.754 -99.200 -91.000 TRP6 15 1.020 38.107 53.823 -77.235 -99.200 -91.000 PHE 28 1.000 42.501 48.903 -82.920 -99.200 -91.000 PHE 35 1.000 50.185 68.546 -84.060 -99.200 -91.000 HIS 38 0.900 55.752 71.234 -71.485 -99.200 -91.000 PHE 54 1.000 77.409 68.808 -78.275 -99.200 -91.000 TYR 55 0.840 80.458 68.752 -67.671 -99.200 -91.000 PHE 60 1.000 73.747 59.714 -71.431 -99.200 -91.000 TYR 62 0.840 61.283 57.432 -72.592 -99.200 -91.000 TRP 98 1.040 80.012 61.194 -79.885 -99.200 -91.000 TRP6 98 1.020 79.526 63.369 -79.120 -99.200 -91.000 PHE 105 1.000 71.310 62.042 -82.675 -99.200 -91.000 TYR 117 0.840 48.752 38.043 -89.621 -99.200 -91.000 TYR 123 0.840 60.034 58.542 -85.313 -99.200 -91.000 HIS 141 0.900 56.062 62.423 -91.459 -99.200 -91.000 PHE 144 1.000 46.083 57.492 -88.984 -99.200 -91.000 PHE 147 1.000 54.193 60.367 -87.897 -99.200 -91.000 PHE 149 1.000 59.473 64.112 -85.795 -99.200 -91.000 TYR 150 0.840 57.439 69.672 -79.896 -99.200 -91.000 PHE 155 1.000 69.224 70.601 -67.888 -99.200 -91.000 PHE 158 1.000 60.211 70.389 -74.455 -99.200 -91.000 TYR 162 0.840 57.475 67.716 -90.256 -99.200 -91.000 HIS 164 0.900 51.674 64.481 -91.637 -99.200 -91.000 PHE 166 1.000 44.909 61.893 -88.706 -99.200 -91.000 TYR 181 0.840 52.896 63.587 -96.001 -99.200 -91.000 PHE 183 1.000 60.900 66.234 -90.766 -99.200 -91.000