============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 30 0.900 25.172 79.813 -23.833 -99.200 -91.000 TYR 36 0.840 26.814 74.907 -24.896 -99.200 -91.000 TRP 39 1.040 23.077 61.873 -21.588 -99.200 -91.000 TRP6 39 1.020 21.550 61.282 -19.887 -99.200 -91.000 TYR 40 0.840 29.806 64.943 -17.206 -99.200 -91.000 TYR 53 0.840 31.125 67.003 -26.900 -99.200 -91.000 PHE 59 1.000 36.007 62.928 -24.061 -99.200 -91.000 PHE 66 1.000 27.909 53.955 -22.630 -99.200 -91.000 PHE 75 1.000 17.507 67.426 -23.760 -99.200 -91.000 TYR 90 0.840 25.432 55.301 -17.055 -99.200 -91.000 TYR 91 0.840 25.970 61.669 -11.150 -99.200 -91.000 PHE 93 1.000 27.163 70.757 -16.478 -99.200 -91.000 HIS 97 0.900 19.020 78.816 -20.146 -99.200 -91.000 PHE 100 1.000 27.550 76.739 -16.365 -99.200 -91.000 PHE 102 1.000 27.492 68.100 -12.735 -99.200 -91.000 PHE 122 1.000 41.090 36.739 6.076 -99.200 -91.000 PHE 139 1.000 36.697 38.808 1.306 -99.200 -91.000 PHE 143 1.000 28.233 38.038 -1.246 -99.200 -91.000 TYR 144 0.840 23.577 39.182 -8.432 -99.200 -91.000 TRP 152 1.040 31.122 37.363 13.440 -99.200 -91.000 TRP6 152 1.020 33.264 36.460 13.065 -99.200 -91.000 TRP 167 1.040 27.284 43.262 1.200 -99.200 -91.000 TRP6 167 1.020 26.120 43.490 3.245 -99.200 -91.000 TYR 177 0.840 26.324 43.287 -5.021 -99.200 -91.000 TYR 190 0.840 41.649 36.272 20.101 -99.200 -91.000 HIS 193 0.900 35.056 33.889 25.008 -99.200 -91.000 TYR 196 0.840 37.259 33.809 19.090 -99.200 -91.000 HIS 202 0.900 23.787 34.219 -1.366 -99.200 -91.000 PHE 213 1.000 39.932 32.207 15.056 -99.200 -91.000