============================================================================= 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. PHE 3 1.000 -53.274 20.221 2.617 -99.200 -91.000 TYR 4 0.840 -44.287 21.676 4.376 -99.200 -91.000 PHE 13 1.000 -48.934 24.501 5.927 -99.200 -91.000 PHE 20 1.000 -54.885 32.531 14.106 -99.200 -91.000 TYR 21 0.840 -50.846 33.600 17.036 -99.200 -91.000 TYR 34 0.840 -53.842 33.213 20.784 -99.200 -91.000 PHE 49 1.000 -50.727 20.301 15.464 -99.200 -91.000 TYR 53 0.840 -53.327 17.364 10.968 -99.200 -91.000 TRP 54 1.040 -52.404 20.511 7.205 -99.200 -91.000 TRP6 54 1.020 -54.203 19.208 6.400 -99.200 -91.000 TYR 60 0.840 -46.070 20.925 18.145 -99.200 -91.000 HIS 66 0.900 -48.442 12.128 21.560 -99.200 -91.000 HIS 73 0.900 -55.239 24.561 22.302 -99.200 -91.000 PHE 76 1.000 -53.885 29.312 27.414 -99.200 -91.000 PHE 86 1.000 -57.793 29.059 15.797 -99.200 -91.000 HIS 91 0.900 -63.270 30.088 7.365 -99.200 -91.000 HIS 106 0.900 -54.347 20.215 -2.419 -99.200 -91.000 TYR 113 0.840 -56.650 19.802 11.161 -99.200 -91.000 HIS 119 0.900 -67.129 23.913 15.365 -99.200 -91.000 PHE 126 1.000 -67.579 30.732 32.831 -99.200 -91.000