============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 1 0.900 -1.266 43.384 37.780 -99.200 -91.000 TRP 8 1.040 -0.783 40.985 50.408 -99.200 -91.000 TRP6 8 1.020 -2.270 41.596 52.139 -99.200 -91.000 PHE 12 1.000 6.775 29.835 56.560 -99.200 -91.000 HIS 27 0.900 -1.553 34.951 66.624 -99.200 -91.000 PHE 34 1.000 0.742 30.637 65.620 -99.200 -91.000 PHE 35 1.000 -0.974 29.978 60.881 -99.200 -91.000 PHE 36 1.000 9.619 26.190 59.258 -99.200 -91.000 TYR 53 0.840 -2.963 39.059 58.697 -99.200 -91.000 HIS 61 0.900 10.850 49.578 57.517 -99.200 -91.000 PHE 82 1.000 -2.107 30.322 45.453 -99.200 -91.000 PHE 90 1.000 -5.874 27.281 61.936 -99.200 -91.000 HIS 92 0.900 -5.926 31.373 67.713 -99.200 -91.000 TYR 99 0.840 -18.548 34.404 58.353 -99.200 -91.000 HIS 114 0.900 -13.521 21.447 56.931 -99.200 -91.000 PHE 116 1.000 -9.894 22.759 59.061 -99.200 -91.000 TYR 126 0.840 -21.798 43.969 71.344 -99.200 -91.000 TYR 169 0.840 -8.052 44.164 71.192 -99.200 -91.000 TYR 175 0.840 -16.434 40.856 61.332 -99.200 -91.000 HIS 177 0.900 -23.328 39.124 62.043 -99.200 -91.000 PHE 190 1.000 -9.524 22.741 65.214 -99.200 -91.000 HIS 194 0.900 -9.559 26.452 81.522 -99.200 -91.000 TRP 206 1.040 -17.365 30.181 64.698 -99.200 -91.000 TRP6 206 1.020 -16.630 31.434 62.820 -99.200 -91.000 HIS 209 0.900 -22.377 33.412 61.600 -99.200 -91.000 HIS 223 0.900 -7.101 34.524 71.747 -99.200 -91.000 PHE 224 1.000 -2.317 33.843 71.296 -99.200 -91.000 PHE 225 1.000 -7.312 26.625 70.912 -99.200 -91.000