============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 16 0.840 20.591 31.941 14.669 -99.200 -91.000 HIS 23 0.900 13.335 30.055 31.790 -99.200 -91.000 TYR 32 0.840 14.429 25.031 25.337 -99.200 -91.000 TYR 35 0.840 15.720 30.876 11.099 -99.200 -91.000 HIS 46 0.900 6.967 20.984 5.676 -99.200 -91.000 PHE 49 1.000 11.811 14.981 12.832 -99.200 -91.000 TYR 51 0.840 10.270 19.057 17.465 -99.200 -91.000 TYR 61 0.840 27.635 27.791 17.670 -99.200 -91.000 TRP 71 1.040 34.961 15.731 15.545 -99.200 -91.000 TRP6 71 1.020 34.883 17.793 14.395 -99.200 -91.000 TYR 80 0.840 32.347 11.506 20.481 -99.200 -91.000 PHE 102 1.000 27.217 20.739 8.616 -99.200 -91.000 PHE 106 1.000 19.388 26.708 8.959 -99.200 -91.000 TYR 135 0.840 42.332 42.005 15.978 -99.200 -91.000 PHE 146 1.000 38.164 32.981 7.331 -99.200 -91.000 PHE 147 1.000 39.744 35.682 11.487 -99.200 -91.000 PHE 155 1.000 40.950 37.478 6.053 -99.200 -91.000 TRP 159 1.040 45.867 31.600 14.116 -99.200 -91.000 TRP6 159 1.020 44.143 31.178 15.662 -99.200 -91.000 TYR 161 0.840 45.748 40.795 18.780 -99.200 -91.000 PHE 170 1.000 41.113 33.143 20.525 -99.200 -91.000 TYR 188 0.840 36.981 41.839 22.314 -99.200 -91.000 TYR 190 0.840 32.598 38.157 19.369 -99.200 -91.000 TYR 199 0.840 19.210 39.136 18.065 -99.200 -91.000 TYR 220 0.840 24.373 30.014 10.545 -99.200 -91.000 TRP 254 1.040 12.164 34.135 15.205 -99.200 -91.000 TRP6 254 1.020 11.532 34.407 17.465 -99.200 -91.000 TRP 255 1.040 18.652 38.401 12.178 -99.200 -91.000 TRP6 255 1.020 18.235 36.090 12.421 -99.200 -91.000 TYR 256 0.840 16.769 42.386 9.528 -99.200 -91.000