============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 18 0.840 17.423 -15.864 1.423 -99.200 -91.000 TYR 25 0.840 23.504 -18.071 15.966 -99.200 -91.000 TYR 48 0.840 29.140 -1.311 -2.122 -99.200 -91.000 PHE 54 1.000 17.564 -3.385 -15.123 -99.200 -91.000 TYR 58 0.840 15.873 -11.899 -3.891 -99.200 -91.000 PHE 59 1.000 20.077 -7.326 2.904 -99.200 -91.000 PHE 73 1.000 20.106 -3.191 -2.023 -99.200 -91.000 TYR 75 0.840 21.977 -0.405 -6.678 -99.200 -91.000 PHE 87 1.000 16.008 -5.525 3.509 -99.200 -91.000 PHE 101 1.000 19.667 -21.190 14.133 -99.200 -91.000 TRP 106 1.040 24.629 -11.765 2.632 -99.200 -91.000 TRP6 106 1.020 25.625 -9.638 2.544 -99.200 -91.000 HIS 114 0.900 30.364 -5.102 -2.463 -99.200 -91.000 TYR 118 0.840 25.697 -0.745 14.593 -99.200 -91.000 TRP 125 1.040 9.725 -13.170 25.880 -99.200 -91.000 TRP6 125 1.020 8.473 -12.458 27.754 -99.200 -91.000