============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 20 1.040 16.185 14.490 30.526 -99.200 -91.000 TRP6 20 1.020 14.903 13.047 29.164 -99.200 -91.000 HIS 22 0.900 21.965 20.477 24.227 -99.200 -91.000 PHE 28 1.000 28.994 21.233 11.174 -99.200 -91.000 TRP 52 1.040 26.446 22.133 15.660 -99.200 -91.000 TRP6 52 1.020 28.807 22.134 15.507 -99.200 -91.000 PHE 68 1.000 12.417 17.863 30.178 -99.200 -91.000 HIS 79 0.900 34.158 25.882 23.409 -99.200 -91.000 HIS 81 0.900 35.679 26.948 19.222 -99.200 -91.000 HIS 99 0.900 24.105 32.476 34.310 -99.200 -91.000 TYR 113 0.840 29.460 33.003 17.404 -99.200 -91.000 PHE 128 1.000 20.706 27.398 37.622 -99.200 -91.000 PHE 136 1.000 38.570 24.184 37.981 -99.200 -91.000 TYR 137 0.840 40.162 29.425 32.499 -99.200 -91.000 HIS 142 0.900 37.979 23.149 21.700 -99.200 -91.000 TRP 150 1.040 31.457 18.399 40.510 -99.200 -91.000 TRP6 150 1.020 32.053 16.179 39.931 -99.200 -91.000 TYR 154 0.840 22.024 14.501 39.594 -99.200 -91.000 TYR 178 0.840 46.029 29.502 24.129 -99.200 -91.000 TRP 182 1.040 43.293 19.957 25.838 -99.200 -91.000 TRP6 182 1.020 42.608 20.082 23.578 -99.200 -91.000 TYR 193 0.840 35.374 19.309 39.511 -99.200 -91.000 HIS 203 0.900 31.701 18.227 18.977 -99.200 -91.000 HIS 214 0.900 41.061 8.739 23.701 -99.200 -91.000