============================================================================= 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 17 0.840 14.643 31.721 24.201 -99.200 -91.000 PHE 30 1.000 18.119 40.548 22.688 -99.200 -91.000 HIS 49 0.900 14.978 33.129 13.133 -99.200 -91.000 TYR 53 0.840 5.047 27.717 15.486 -99.200 -91.000 TYR 64 0.840 24.127 52.517 25.147 -99.200 -91.000 HIS 108 0.900 19.983 58.020 23.938 -99.200 -91.000 TYR 111 0.840 17.105 53.918 33.157 -99.200 -91.000 HIS 126 0.900 30.269 53.632 40.874 -99.200 -91.000 TYR 128 0.840 21.030 55.280 45.326 -99.200 -91.000 PHE 141 1.000 19.647 37.219 38.746 -99.200 -91.000 PHE 150 1.000 18.843 27.464 51.153 -99.200 -91.000 TYR 152 0.840 19.021 20.361 41.768 -99.200 -91.000 PHE 158 1.000 14.518 18.311 53.898 -99.200 -91.000 HIS 173 0.900 25.438 36.636 42.927 -99.200 -91.000 PHE 181 1.000 20.550 26.730 56.185 -99.200 -91.000 PHE 193 1.000 17.362 22.682 57.503 -99.200 -91.000 TRP 221 1.040 20.474 26.291 30.410 -99.200 -91.000 TRP6 221 1.020 20.410 27.648 28.459 -99.200 -91.000 HIS 229 0.900 10.137 34.634 39.175 -99.200 -91.000 HIS 236 0.900 2.185 39.896 33.422 -99.200 -91.000 PHE 252 1.000 16.227 42.752 56.809 -99.200 -91.000 HIS 254 0.900 22.627 45.916 59.069 -99.200 -91.000 PHE 259 1.000 22.675 43.640 53.125 -99.200 -91.000 TRP 276 1.040 11.109 38.326 54.981 -99.200 -91.000 TRP6 276 1.020 11.923 36.598 53.607 -99.200 -91.000 TYR 281 0.840 24.266 31.104 61.824 -99.200 -91.000 TYR 297 0.840 30.057 52.319 46.679 -99.200 -91.000