============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 11 1.040 32.494 -32.027 59.611 -99.200 -91.000 TRP6 11 1.020 32.180 -30.325 58.022 -99.200 -91.000 PHE 20 1.000 42.006 -48.046 59.072 -99.200 -91.000 TYR 48 0.840 36.648 -47.927 38.313 -99.200 -91.000 PHE 50 1.000 44.012 -38.881 38.968 -99.200 -91.000 PHE 54 1.000 49.160 -40.999 39.084 -99.200 -91.000 HIS 58 0.900 53.336 -45.394 38.652 -99.200 -91.000 TYR 64 0.840 44.104 -55.545 40.241 -99.200 -91.000 HIS 69 0.900 34.175 -57.561 36.286 -99.200 -91.000 HIS 71 0.900 32.558 -54.654 48.121 -99.200 -91.000 HIS 73 0.900 32.817 -51.051 53.752 -99.200 -91.000 PHE 150 1.000 47.357 -28.512 60.169 -99.200 -91.000 TYR 151 0.840 50.149 -24.141 59.339 -99.200 -91.000 PHE 156 1.000 47.159 -29.867 73.912 -99.200 -91.000 HIS 164 0.900 53.778 -34.734 53.585 -99.200 -91.000 PHE 165 1.000 48.983 -27.903 54.763 -99.200 -91.000 HIS 168 0.900 47.484 -33.711 39.545 -99.200 -91.000 TYR 169 0.840 46.298 -39.784 44.120 -99.200 -91.000 PHE 173 1.000 52.145 -43.169 42.745 -99.200 -91.000 PHE 177 1.000 50.453 -46.262 46.843 -99.200 -91.000