============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 2 0.840 12.502 26.873 24.062 -99.200 -91.000 TYR 31 0.840 19.383 20.745 14.583 -99.200 -91.000 TRP 34 1.040 13.505 12.663 22.239 -99.200 -91.000 TRP6 34 1.020 11.591 12.851 23.604 -99.200 -91.000 TYR 35 0.840 20.300 13.547 26.738 -99.200 -91.000 TYR 36 0.840 16.355 3.983 30.129 -99.200 -91.000 TYR 48 0.840 23.262 12.778 17.162 -99.200 -91.000 PHE 51 1.000 17.248 12.900 11.232 -99.200 -91.000 TYR 85 0.840 12.293 6.217 27.930 -99.200 -91.000 TYR 86 0.840 14.466 13.248 32.715 -99.200 -91.000 TRP 90 1.040 21.485 22.874 22.916 -99.200 -91.000 TRP6 90 1.020 23.458 23.488 24.052 -99.200 -91.000 PHE 105 1.000 18.613 18.401 30.502 -99.200 -91.000 PHE 126 1.000 1.507 -3.036 61.036 -99.200 -91.000 PHE 147 1.000 1.240 -1.224 45.016 -99.200 -91.000 TYR 148 0.840 2.132 -4.864 37.000 -99.200 -91.000 TRP 156 1.040 -2.101 8.836 55.789 -99.200 -91.000 TRP6 156 1.020 -2.138 7.144 57.433 -99.200 -91.000 TYR 180 0.840 6.402 -2.278 41.071 -99.200 -91.000 TYR 185 0.840 6.415 5.347 57.267 -99.200 -91.000 TRP 193 1.040 -3.326 6.665 69.116 -99.200 -91.000 TRP6 193 1.020 -4.320 5.715 67.184 -99.200 -91.000 HIS 196 0.900 -8.509 13.648 65.682 -99.200 -91.000 TYR 199 0.840 -5.794 10.233 63.371 -99.200 -91.000 HIS 205 0.900 -3.101 -0.592 41.726 -99.200 -91.000