============================================================================= 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. PHE 7 1.000 -17.773 -17.351 35.189 -99.200 -91.000 TYR 9 0.840 -16.133 -3.900 32.823 -99.200 -91.000 PHE 13 1.000 -20.809 -8.992 30.680 -99.200 -91.000 TYR 26 0.840 -15.383 11.487 18.259 -99.200 -91.000 TYR 32 0.840 -5.817 5.870 18.689 -99.200 -91.000 TRP 37 1.040 -12.853 4.058 26.819 -99.200 -91.000 TRP6 37 1.020 -15.016 4.035 25.864 -99.200 -91.000 TYR 44 0.840 -5.829 7.188 32.800 -99.200 -91.000 TRP 46 1.040 -3.865 -2.130 36.499 -99.200 -91.000 TRP6 46 1.020 -2.884 -2.441 34.364 -99.200 -91.000 TYR 54 0.840 -12.221 3.326 44.221 -99.200 -91.000 PHE 57 1.000 -13.282 -0.161 35.292 -99.200 -91.000 TRP 58 1.040 -19.997 6.865 35.165 -99.200 -91.000 TRP6 58 1.020 -20.358 5.894 33.039 -99.200 -91.000 TYR 67 0.840 -4.001 9.383 27.361 -99.200 -91.000 PHE 80 1.000 -19.101 13.088 22.413 -99.200 -91.000 TYR 88 0.840 -15.508 -0.184 28.289 -99.200 -91.000 TYR 94 0.840 -15.905 -12.642 24.728 -99.200 -91.000 PHE 133 1.000 -22.922 -13.905 36.565 -99.200 -91.000 PHE 145 1.000 -10.520 1.018 40.301 -99.200 -91.000 HIS 148 0.900 -5.140 -3.467 47.772 -99.200 -91.000 TYR 152 0.840 -8.111 -10.546 42.985 -99.200 -91.000 PHE 168 1.000 -11.133 -14.059 39.796 -99.200 -91.000 PHE 174 1.000 -5.799 -6.690 35.166 -99.200 -91.000 PHE 182 1.000 -7.607 -12.837 48.697 -99.200 -91.000 PHE 184 1.000 -10.306 -15.994 45.136 -99.200 -91.000 PHE 212 1.000 -6.653 -4.459 23.882 -99.200 -91.000 TYR 222 0.840 2.702 -9.445 37.079 -99.200 -91.000 PHE 228 1.000 -7.964 -26.455 36.495 -99.200 -91.000