============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 6 1.000 78.798 14.368 19.560 -99.200 -91.000 TRP 7 1.040 76.296 22.507 20.151 -99.200 -91.000 TRP6 7 1.020 78.014 23.791 21.153 -99.200 -91.000 PHE 20 1.000 79.577 18.269 40.193 -99.200 -91.000 TRP 22 1.040 77.552 28.156 44.673 -99.200 -91.000 TRP6 22 1.020 78.076 30.456 44.818 -99.200 -91.000 TYR 34 0.840 87.431 13.411 49.161 -99.200 -91.000 TYR 35 0.840 83.385 20.086 47.992 -99.200 -91.000 TYR 49 0.840 79.662 14.615 25.633 -99.200 -91.000 TRP 58 1.040 82.242 14.810 14.590 -99.200 -91.000 TRP6 58 1.020 80.109 14.951 13.583 -99.200 -91.000 PHE 67 1.000 80.978 10.740 16.806 -99.200 -91.000 TYR 71 0.840 86.373 5.803 21.560 -99.200 -91.000 TRP 74 1.040 84.596 7.595 27.668 -99.200 -91.000 TRP6 74 1.020 83.988 5.806 26.247 -99.200 -91.000 TYR 83 0.840 93.154 11.572 43.357 -99.200 -91.000 PHE 84 1.000 84.704 11.964 44.858 -99.200 -91.000 PHE 96 1.000 94.617 6.876 45.486 -99.200 -91.000 PHE 111 1.000 92.165 7.175 21.146 -99.200 -91.000 TYR 122 0.840 85.191 -7.447 17.146 -99.200 -91.000 PHE 125 1.000 84.854 -5.590 24.205 -99.200 -91.000 PHE 132 1.000 84.348 -2.888 33.761 -99.200 -91.000 TYR 137 0.840 90.145 -8.634 43.552 -99.200 -91.000 TYR 138 0.840 93.133 -4.716 42.773 -99.200 -91.000 TYR 158 0.840 84.482 2.487 47.823 -99.200 -91.000 TRP 169 1.040 82.416 3.556 35.325 -99.200 -91.000 TRP6 169 1.020 84.774 3.727 35.597 -99.200 -91.000 TYR 172 0.840 80.193 4.323 29.800 -99.200 -91.000 PHE 174 1.000 76.880 -5.974 27.940 -99.200 -91.000 TRP 176 1.040 84.504 -0.081 21.987 -99.200 -91.000 TRP6 176 1.020 85.164 -1.964 20.704 -99.200 -91.000 TYR 197 0.840 70.007 8.006 30.800 -99.200 -91.000 PHE 206 1.000 81.720 9.425 41.371 -99.200 -91.000 PHE 208 1.000 74.408 18.179 40.996 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================