============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 26 0.840 68.447 88.541 27.891 -99.200 -91.000 HIS 90 0.900 78.564 83.572 36.770 -99.200 -91.000 TYR 100 0.840 80.624 71.561 43.533 -99.200 -91.000 PHE 101 1.000 87.199 77.693 40.502 -99.200 -91.000 TYR 133 0.840 67.027 95.414 50.152 -99.200 -91.000 PHE 174 1.000 70.036 79.600 38.839 -99.200 -91.000 TRP 178 1.040 70.605 66.704 47.628 -99.200 -91.000 TRP6 178 1.020 69.662 64.578 47.871 -99.200 -91.000 TYR 190 0.840 62.698 85.173 58.154 -99.200 -91.000 TRP 191 1.040 70.240 81.162 57.819 -99.200 -91.000 TRP6 191 1.020 71.498 80.326 56.023 -99.200 -91.000 PHE 192 1.000 62.781 77.573 57.469 -99.200 -91.000 HIS 199 0.900 80.996 74.801 53.680 -99.200 -91.000 PHE 205 1.000 89.878 69.758 46.505 -99.200 -91.000 TYR 220 0.840 72.619 64.189 27.038 -99.200 -91.000 TYR 222 0.840 73.207 60.356 21.763 -99.200 -91.000 TYR 230 0.840 81.522 58.748 25.753 -99.200 -91.000 HIS 243 0.900 78.464 57.618 30.442 -99.200 -91.000 HIS 274 0.900 70.345 61.567 29.854 -99.200 -91.000 PHE 280 1.000 72.669 58.084 46.046 -99.200 -91.000 TRP 294 1.040 85.889 53.231 33.916 -99.200 -91.000 TRP6 294 1.020 84.087 52.176 32.819 -99.200 -91.000 HIS 298 0.900 76.873 60.768 46.613 -99.200 -91.000 PHE 326 1.000 83.550 63.572 41.426 -99.200 -91.000 TRP 327 1.040 81.034 58.169 47.129 -99.200 -91.000 TRP6 327 1.020 82.295 56.190 47.444 -99.200 -91.000 TYR 329 0.840 85.855 68.324 49.199 -99.200 -91.000