============================================================================= 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 15 0.840 32.496 34.170 129.575 -99.200 -91.000 TYR 16 0.840 32.905 32.973 134.375 -99.200 -91.000 TYR 32 0.840 20.604 14.089 135.737 -99.200 -91.000 HIS 62 0.900 35.753 21.411 136.384 -99.200 -91.000 PHE 83 1.000 36.696 13.653 133.976 -99.200 -91.000 PHE 94 1.000 38.735 38.015 121.587 -99.200 -91.000 PHE 95 1.000 41.744 36.420 110.811 -99.200 -91.000 HIS 130 0.900 46.116 34.784 110.458 -99.200 -91.000 TYR 135 0.840 42.840 43.630 107.581 -99.200 -91.000 PHE 141 1.000 48.588 40.591 121.676 -99.200 -91.000 HIS 142 0.900 49.245 47.571 127.178 -99.200 -91.000 PHE 143 1.000 50.194 39.608 127.993 -99.200 -91.000 HIS 145 0.900 44.850 40.032 137.855 -99.200 -91.000 TYR 146 0.840 39.638 37.629 131.557 -99.200 -91.000 PHE 159 1.000 44.539 60.674 127.579 -99.200 -91.000 PHE 182 1.000 39.580 55.141 126.257 -99.200 -91.000 HIS 191 0.900 36.780 63.018 116.603 -99.200 -91.000 TYR 198 0.840 34.679 37.237 125.107 -99.200 -91.000 TRP 203 1.040 27.811 47.703 129.977 -99.200 -91.000 TRP6 203 1.020 29.871 48.446 129.092 -99.200 -91.000 TYR 204 0.840 30.181 45.275 125.320 -99.200 -91.000 PHE 206 1.000 22.601 51.225 127.500 -99.200 -91.000 PHE 214 1.000 33.903 35.673 119.316 -99.200 -91.000 HIS 218 0.900 27.965 33.737 127.062 -99.200 -91.000 HIS 255 0.900 38.145 56.839 113.013 -99.200 -91.000