============================================================================= 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 -11.212 -6.218 33.153 -99.200 -91.000 HIS 15 0.900 0.795 -17.363 30.075 -99.200 -91.000 HIS 61 0.900 10.408 2.455 30.289 -99.200 -91.000 PHE 68 1.000 18.996 -3.732 38.434 -99.200 -91.000 HIS 83 0.900 0.555 -2.459 49.028 -99.200 -91.000 PHE 85 1.000 2.413 -3.789 42.677 -99.200 -91.000 PHE 88 1.000 4.687 -4.080 30.369 -99.200 -91.000 PHE 93 1.000 13.469 -8.371 26.342 -99.200 -91.000 TYR 104 0.840 12.391 -12.817 29.372 -99.200 -91.000 PHE 109 1.000 19.364 -3.326 33.616 -99.200 -91.000 TRP 114 1.040 13.839 -8.123 37.808 -99.200 -91.000 TRP6 114 1.020 12.619 -6.453 36.657 -99.200 -91.000 HIS 121 0.900 9.038 -1.984 19.419 -99.200 -91.000 HIS 140 0.900 6.326 -21.985 35.687 -99.200 -91.000 TYR 160 0.840 5.095 -3.353 13.071 -99.200 -91.000 HIS 171 0.900 4.875 -17.775 18.009 -99.200 -91.000 PHE 174 1.000 7.124 -15.621 26.666 -99.200 -91.000 PHE 178 1.000 -2.433 -8.669 20.577 -99.200 -91.000 PHE 190 1.000 -4.118 -13.637 22.328 -99.200 -91.000 HIS 192 0.900 -6.930 -6.219 23.019 -99.200 -91.000 TYR 210 0.840 -0.106 12.123 27.172 -99.200 -91.000 TYR 244 0.840 -5.007 9.392 34.959 -99.200 -91.000 TRP 249 1.040 -14.278 -1.065 38.243 -99.200 -91.000 TRP6 249 1.020 -13.168 -3.096 37.733 -99.200 -91.000 TYR 252 0.840 -14.578 -4.281 33.387 -99.200 -91.000