============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 93 rings ring int. center anis. iso. PHE 4 1.000 55.131 35.843 17.902 -99.200 -91.000 PHE 8 1.000 55.291 31.686 19.889 -99.200 -91.000 TRP 10 1.040 57.598 30.535 15.523 -99.200 -91.000 TRP6 10 1.020 55.816 32.063 15.148 -99.200 -91.000 TYR 17 0.840 37.736 9.538 8.933 -99.200 -91.000 TRP 33 1.040 34.107 11.982 12.229 -99.200 -91.000 TRP6 33 1.020 33.033 13.258 10.529 -99.200 -91.000 HIS 34 0.900 35.096 2.991 7.386 -99.200 -91.000 PHE 36 1.000 28.202 12.049 10.253 -99.200 -91.000 HIS 38 0.900 32.692 4.297 3.729 -99.200 -91.000 HIS 55 0.900 50.786 11.707 7.798 -99.200 -91.000 TYR 56 0.840 48.270 2.986 8.028 -99.200 -91.000 TRP 59 1.040 54.900 6.937 7.607 -99.200 -91.000 TRP6 59 1.020 57.088 7.068 8.522 -99.200 -91.000 TYR 74 0.840 52.636 16.474 12.540 -99.200 -91.000 PHE 76 1.000 51.608 12.844 16.155 -99.200 -91.000 TRP 80 1.040 39.943 4.668 21.871 -99.200 -91.000 TRP6 80 1.020 38.533 6.053 23.160 -99.200 -91.000 PHE 98 1.000 50.497 5.653 10.861 -99.200 -91.000 TYR 99 0.840 49.020 6.874 15.246 -99.200 -91.000 PHE 114 1.000 52.975 20.932 21.980 -99.200 -91.000 TYR 118 0.840 37.474 11.651 20.676 -99.200 -91.000 HIS 119 0.900 41.432 17.037 15.769 -99.200 -91.000 TRP 120 1.040 36.688 16.234 16.887 -99.200 -91.000 TRP6 120 1.020 36.064 17.772 15.204 -99.200 -91.000 PHE 124 1.000 29.602 1.367 14.506 -99.200 -91.000 TRP 132 1.040 32.770 11.090 23.073 -99.200 -91.000 TRP6 132 1.020 34.475 11.159 24.730 -99.200 -91.000 TRP 140 1.040 34.217 2.265 28.065 -99.200 -91.000 TRP6 140 1.020 32.296 3.037 26.917 -99.200 -91.000 PHE 141 1.000 40.102 10.408 26.617 -99.200 -91.000 TYR 144 0.840 43.009 6.376 22.789 -99.200 -91.000 PHE 149 1.000 48.613 9.762 29.053 -99.200 -91.000 PHE 152 1.000 52.377 5.720 20.984 -99.200 -91.000 TRP 159 1.040 51.584 13.184 26.173 -99.200 -91.000 TRP6 159 1.020 50.873 11.280 24.968 -99.200 -91.000 TRP 166 1.040 30.041 24.282 22.062 -99.200 -91.000 TRP6 166 1.020 29.542 24.453 19.741 -99.200 -91.000 HIS 173 0.900 27.377 13.102 20.786 -99.200 -91.000 TYR 175 0.840 23.693 23.002 16.238 -99.200 -91.000 HIS 178 0.900 31.677 18.035 12.907 -99.200 -91.000 TYR 186 0.840 16.476 16.679 28.098 -99.200 -91.000 PHE 189 1.000 23.908 21.517 27.309 -99.200 -91.000 HIS 193 0.900 29.116 16.199 34.356 -99.200 -91.000 HIS 199 0.900 40.949 17.436 30.778 -99.200 -91.000 PHE 206 1.000 51.003 13.720 31.057 -99.200 -91.000 PHE 219 1.000 38.995 24.052 26.626 -99.200 -91.000 TYR 223 0.840 36.155 40.007 19.285 -99.200 -91.000 PHE 224 1.000 30.689 33.721 19.904 -99.200 -91.000 PHE 239 1.000 23.880 30.862 25.764 -99.200 -91.000 HIS 241 0.900 34.065 34.253 26.660 -99.200 -91.000 PHE 243 1.000 26.263 26.052 24.268 -99.200 -91.000 TYR 246 0.840 38.217 31.141 27.536 -99.200 -91.000 PHE 249 1.000 33.959 21.765 27.266 -99.200 -91.000 TYR 254 0.840 42.1