============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 4 0.840 37.592 45.463 21.194 -99.200 -91.000 TYR 11 0.840 41.614 57.856 23.322 -99.200 -91.000 PHE 25 1.000 25.850 67.437 30.650 -99.200 -91.000 TRP 40 1.040 19.049 54.170 17.337 -99.200 -91.000 TRP6 40 1.020 19.358 52.366 15.836 -99.200 -91.000 PHE 46 1.000 29.614 48.726 9.567 -99.200 -91.000 PHE 56 1.000 33.638 54.009 12.674 -99.200 -91.000 HIS 61 0.900 30.931 65.623 10.423 -99.200 -91.000 HIS 67 0.900 21.525 62.163 7.409 -99.200 -91.000 PHE 87 1.000 37.000 64.484 29.945 -99.200 -91.000 TYR 92 0.840 33.871 66.149 18.747 -99.200 -91.000 PHE 95 1.000 32.410 63.254 25.523 -99.200 -91.000 TYR 96 0.840 29.129 62.911 19.847 -99.200 -91.000 PHE 114 1.000 34.095 53.393 25.243 -99.200 -91.000 HIS 115 0.900 36.539 46.391 24.528 -99.200 -91.000 HIS 139 0.900 12.841 49.631 7.433 -99.200 -91.000 PHE 144 1.000 18.098 47.400 14.331 -99.200 -91.000 HIS 162 0.900 12.399 52.564 20.899 -99.200 -91.000 HIS 168 0.900 10.745 64.084 22.762 -99.200 -91.000 PHE 174 1.000 5.229 57.303 15.192 -99.200 -91.000 TRP 178 1.040 8.507 53.197 23.014 -99.200 -91.000 TRP6 178 1.020 9.870 55.090 22.608 -99.200 -91.000 PHE 185 1.000 18.292 49.712 29.567 -99.200 -91.000 TYR 189 0.840 10.219 47.951 23.716 -99.200 -91.000 PHE 190 1.000 11.977 43.823 25.554 -99.200 -91.000 PHE 216 1.000 12.444 40.371 14.804 -99.200 -91.000 TYR 223 0.840 15.264 39.821 25.370 -99.200 -91.000 PHE 230 1.000 16.087 44.540 28.074 -99.200 -91.000 PHE 231 1.000 18.986 45.224 33.207 -99.200 -91.000 TYR 234 0.840 20.546 47.589 25.786 -99.200 -91.000 HIS 238 0.900 24.663 50.429 24.264 -99.200 -91.000 PHE 246 1.000 36.765 50.538 17.881 -99.200 -91.000