============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TRP 17 1.040 21.833 35.315 105.114 -99.200 -91.000 TRP6 17 1.020 21.246 35.518 102.842 -99.200 -91.000 HIS 20 0.900 13.229 32.678 113.959 -99.200 -91.000 PHE 22 1.000 13.081 24.894 107.619 -99.200 -91.000 HIS 38 0.900 -0.301 40.002 100.577 -99.200 -91.000 PHE 41 1.000 5.282 40.469 94.260 -99.200 -91.000 PHE 50 1.000 6.293 46.409 87.935 -99.200 -91.000 TYR 60 0.840 1.483 32.944 89.696 -99.200 -91.000 HIS 67 0.900 -0.004 23.609 90.124 -99.200 -91.000 TYR 68 0.840 7.595 25.355 94.462 -99.200 -91.000 HIS 69 0.900 5.639 17.235 93.054 -99.200 -91.000 TYR 74 0.840 16.809 21.770 99.514 -99.200 -91.000 HIS 75 0.900 15.321 20.380 95.146 -99.200 -91.000 HIS 79 0.900 15.106 25.500 97.529 -99.200 -91.000 HIS 88 0.900 12.906 41.628 100.445 -99.200 -91.000 PHE 100 1.000 20.322 44.510 89.732 -99.200 -91.000 PHE 110 1.000 6.743 34.911 87.885 -99.200 -91.000 HIS 115 0.900 14.273 28.168 92.860 -99.200 -91.000 HIS 119 0.900 13.229 19.135 91.999 -99.200 -91.000 PHE 126 1.000 15.472 8.651 89.214 -99.200 -91.000 TYR 138 0.840 11.061 20.761 78.975 -99.200 -91.000 HIS 147 0.900 7.560 20.336 84.422 -99.200 -91.000 HIS 148 0.900 11.773 23.199 88.407 -99.200 -91.000 PHE 153 1.000 7.409 32.711 82.312 -99.200 -91.000 PHE 164 1.000 4.285 38.795 85.990 -99.200 -91.000 HIS 191 0.900 29.017 26.798 90.952 -99.200 -91.000 TYR 214 0.840 19.070 40.908 79.390 -99.200 -91.000 HIS 226 0.900 24.398 29.050 91.124 -99.200 -91.000 TYR 240 0.840 24.873 24.127 106.495 -99.200 -91.000 TRP 243 1.040 17.413 25.383 104.691 -99.200 -91.000 TRP6 243 1.020 15.331 25.094 103.614 -99.200 -91.000 PHE 251 1.000 21.119 15.300 97.098 -99.200 -91.000 PHE 252 1.000 20.824 9.405 102.806 -99.200 -91.000 HIS 272 0.900 21.500 0.727 103.342 -99.200 -91.000 PHE 283 1.000 26.424 22.424 98.721 -99.200 -91.000 TYR 286 0.840 36.522 20.272 96.404 -99.200 -91.000 HIS 289 0.900 34.894 30.388 101.315 -99.200 -91.000 TRP 292 1.040 26.907 32.275 99.209 -99.200 -91.000 TRP6 292 1.020 25.671 34.253 99.545 -99.200 -91.000 TRP 295 1.040 26.603 38.409 96.553 -99.200 -91.000 TRP6 295 1.020 25.486 38.965 94.551 -99.200 -91.000 HIS 300 0.900 35.372 44.245 101.183 -99.200 -91.000 TRP 316 1.040 28.806 22.633 114.678 -99.200 -91.000 TRP6 316 1.020 27.360 21.047 113.682 -99.200 -91.000 TYR 317 0.840 27.149 20.176 108.749 -99.200 -91.000