============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. HIS 2 0.900 37.151 -10.265 48.572 -99.200 -91.000 PHE 13 1.000 20.169 -22.561 40.938 -99.200 -91.000 PHE 30 1.000 22.136 0.559 37.455 -99.200 -91.000 PHE 36 1.000 17.865 -0.528 41.645 -99.200 -91.000 PHE 53 1.000 21.516 -8.623 41.097 -99.200 -91.000 TRP 61 1.040 31.263 -2.968 48.352 -99.200 -91.000 TRP6 61 1.020 30.760 -1.164 49.787 -99.200 -91.000 HIS 62 0.900 34.221 -2.205 51.088 -99.200 -91.000 PHE 74 1.000 18.155 -12.852 43.869 -99.200 -91.000 PHE 78 1.000 15.250 -16.439 39.567 -99.200 -91.000 TYR 81 0.840 8.564 -10.488 40.241 -99.200 -91.000 PHE 85 1.000 15.764 -21.493 37.309 -99.200 -91.000 TYR 88 0.840 14.107 -26.587 49.025 -99.200 -91.000 PHE 96 1.000 20.036 -17.453 39.280 -99.200 -91.000 HIS 105 0.900 15.964 -4.690 29.151 -99.200 -91.000 TRP 121 1.040 23.184 -0.471 19.097 -99.200 -91.000 TRP6 121 1.020 23.349 -2.456 20.366 -99.200 -91.000 TYR 124 0.840 17.972 -4.659 21.518 -99.200 -91.000 PHE 136 1.000 25.890 -8.418 32.041 -99.200 -91.000 TYR 151 0.840 19.976 -11.203 -1.887 -99.200 -91.000 PHE 156 1.000 23.462 -6.552 10.843 -99.200 -91.000 PHE 159 1.000 26.596 -10.946 21.647 -99.200 -91.000 PHE 171 1.000 45.052 -24.226 14.677 -99.200 -91.000 PHE 180 1.000 34.767 -15.979 20.950 -99.200 -91.000 PHE 183 1.000 28.664 -18.098 17.999 -99.200 -91.000 PHE 215 1.000 33.960 -7.923 19.744 -99.200 -91.000 HIS 222 0.900 26.084 -22.088 27.936 -99.200 -91.000 PHE 226 1.000 24.977 -28.933 27.675 -99.200 -91.000 PHE 242 1.000 39.246 -20.836 31.367 -99.200 -91.000 PHE 252 1.000 37.641 -15.497 16.406 -99.200 -91.000 TYR 258 0.840 35.824 -8.613 25.504 -99.200 -91.000 TYR 261 0.840 34.113 -9.798 35.478 -99.200 -91.000 HIS 266 0.900 28.038 -29.132 36.377 -99.200 -91.000 HIS 271 0.900 20.577 -36.699 33.612 -99.200 -91.000 TYR 272 0.840 24.720 -36.857 38.879 -99.200 -91.000 HIS 274 0.900 28.749 -27.193 44.917 -99.200 -91.000 TYR 275 0.840 26.514 -24.733 38.011 -99.200 -91.000 TRP 285 1.040 42.237 -14.545 39.510 -99.200 -91.000 TRP6 285 1.020 40.373 -14.785 38.069 -99.200 -91.000 HIS 286 0.900 40.125 -13.787 47.340 -99.200 -91.000 TYR 288 0.840 34.040 -15.234 46.234 -99.200 -91.000 TYR 307 0.840 27.672 -24.553 31.942 -99.200 -91.000 PHE 310 1.000 29.781 -13.925 34.628 -99.200 -91.000 TYR 311 0.840 37.401 -13.860 29.008 -99.200 -91.000