============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 5 1.000 -11.108 -1.768 33.150 -99.200 -91.000 HIS 15 0.900 0.851 -13.017 29.753 -99.200 -91.000 HIS 61 0.900 10.326 6.845 30.269 -99.200 -91.000 PHE 68 1.000 18.599 0.444 38.141 -99.200 -91.000 HIS 83 0.900 0.833 1.467 48.729 -99.200 -91.000 PHE 85 1.000 2.597 0.283 42.611 -99.200 -91.000 PHE 88 1.000 4.631 0.305 30.203 -99.200 -91.000 PHE 93 1.000 13.390 -3.990 26.012 -99.200 -91.000 TYR 104 0.840 12.258 -8.437 28.924 -99.200 -91.000 PHE 109 1.000 19.151 0.883 33.214 -99.200 -91.000 TRP 114 1.040 13.912 -4.117 37.488 -99.200 -91.000 TRP6 114 1.020 12.769 -2.353 36.395 -99.200 -91.000 HIS 121 0.900 8.673 2.546 19.188 -99.200 -91.000 HIS 140 0.900 7.166 -17.398 35.493 -99.200 -91.000 TYR 160 0.840 4.866 1.496 12.996 -99.200 -91.000 HIS 171 0.900 4.929 -12.857 17.744 -99.200 -91.000 PHE 174 1.000 7.075 -11.110 26.166 -99.200 -91.000 PHE 178 1.000 -2.472 -4.000 20.557 -99.200 -91.000 PHE 190 1.000 -4.106 -8.846 21.909 -99.200 -91.000 HIS 192 0.900 -6.900 -1.635 23.039 -99.200 -91.000 TYR 210 0.840 -0.097 16.523 27.692 -99.200 -91.000 TYR 244 0.840 -4.926 13.718 35.303 -99.200 -91.000 TRP 249 1.040 -14.062 3.087 38.361 -99.200 -91.000 TRP6 249 1.020 -12.946 1.061 37.809 -99.200 -91.000 TYR 252 0.840 -14.456 0.023 33.459 -99.200 -91.000