============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 6 1.000 74.394 10.740 29.497 -99.200 -91.000 PHE 16 1.000 80.785 30.236 25.636 -99.200 -91.000 TRP 38 1.040 77.484 19.498 34.382 -99.200 -91.000 TRP6 38 1.020 77.224 19.326 32.060 -99.200 -91.000 PHE 63 1.000 81.007 26.858 30.508 -99.200 -91.000 PHE 66 1.000 84.466 35.165 29.401 -99.200 -91.000 TYR 71 0.840 90.162 32.752 27.607 -99.200 -91.000 HIS 76 0.900 86.074 31.551 30.254 -99.200 -91.000 TYR 80 0.840 83.983 22.159 30.800 -99.200 -91.000 PHE 88 1.000 70.194 -0.808 39.893 -99.200 -91.000 HIS 97 0.900 85.920 18.917 21.500 -99.200 -91.000 TYR 105 0.840 90.631 45.436 13.799 -99.200 -91.000 TYR 106 0.840 87.487 39.426 11.484 -99.200 -91.000 HIS 114 0.900 101.788 40.017 -9.531 -99.200 -91.000 PHE 130 1.000 95.505 34.962 14.393 -99.200 -91.000 PHE 134 1.000 85.721 30.926 16.392 -99.200 -91.000 TRP 140 1.040 84.636 37.990 -3.094 -99.200 -91.000 TRP6 140 1.020 86.828 38.735 -2.749 -99.200 -91.000 HIS 141 0.900 80.407 44.105 -1.587 -99.200 -91.000 TYR 148 0.840 80.894 40.890 -9.152 -99.200 -91.000 PHE 149 1.000 75.252 40.269 -2.712 -99.200 -91.000 TYR 154 0.840 76.565 38.388 -9.686 -99.200 -91.000 TYR 158 0.840 83.276 39.972 -13.205 -99.200 -91.000 HIS 167 0.900 86.522 30.988 -11.983 -99.200 -91.000 TYR 177 0.840 93.713 50.163 -16.237 -99.200 -91.000 TYR 180 0.840 87.951 42.489 -8.502 -99.200 -91.000 HIS 186 0.900 83.879 36.268 15.164 -99.200 -91.000 HIS 228 0.900 76.166 21.984 4.369 -99.200 -91.000 PHE 239 1.000 99.681 33.011 -24.728 -99.200 -91.000 PHE 244 1.000 92.425 24.936 -15.528 -99.200 -91.000 TRP 246 1.040 88.642 19.346 -11.592 -99.200 -91.000 TRP6 246 1.020 89.774 19.248 -9.514 -99.200 -91.000 TYR 247 0.840 91.484 12.693 -15.492 -99.200 -91.000 PHE 249 1.000 94.659 9.483 -8.171 -99.200 -91.000 TYR 285 0.840 87.039 14.174 -6.054 -99.200 -91.000 PHE 321 1.000 75.616 -15.289 38.866 -99.200 -91.000 PHE 327 1.000 76.558 -5.766 26.677 -99.200 -91.000 TYR 331 0.840 79.996 1.981 13.475 -99.200 -91.000 TRP 341 1.040 82.531 -1.862 22.735 -99.200 -91.000 TRP6 341 1.020 80.212 -2.123 23.054 -99.200 -91.000 HIS 350 0.900 85.866 -5.760 21.864 -99.200 -91.000 TYR 368 0.840 79.234 -4.105 30.183 -99.200 -91.000 PHE 371 1.000 81.813 7.394 24.989 -99.200 -91.000