============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 27 1.000 6.226 16.403 -2.110 -99.200 -91.000 PHE 29 1.000 1.851 12.324 0.034 -99.200 -91.000 TYR 32 0.840 5.764 14.918 -7.466 -99.200 -91.000 TRP 36 1.040 7.513 4.124 3.875 -99.200 -91.000 TRP6 36 1.020 8.260 5.517 5.642 -99.200 -91.000 TRP 47 1.040 11.585 -0.231 -3.450 -99.200 -91.000 TRP6 47 1.020 10.441 -2.255 -3.880 -99.200 -91.000 TYR 57 0.840 4.430 -1.680 -8.612 -99.200 -91.000 TYR 58 0.840 3.548 -3.996 0.192 -99.200 -91.000 PHE 66 1.000 7.793 -4.264 7.001 -99.200 -91.000 TYR 78 0.840 -0.284 7.526 7.967 -99.200 -91.000 TYR 92 0.840 12.494 0.517 8.357 -99.200 -91.000 PHE 93 1.000 17.529 7.145 5.341 -99.200 -91.000 HIS 99 0.900 6.093 6.575 -12.340 -99.200 -91.000 TYR 100 0.840 3.685 12.069 -14.837 -99.200 -91.000 TRP 106 1.040 11.173 4.147 -12.623 -99.200 -91.000 TRP6 106 1.020 10.044 3.578 -14.620 -99.200 -91.000 TYR 107 0.840 14.421 11.486 -11.422 -99.200 -91.000 PHE 108 1.000 14.204 5.530 -4.584 -99.200 -91.000 TRP 111 1.040 16.769 10.011 -1.052 -99.200 -91.000 TRP6 111 1.020 16.969 7.705 -0.594 -99.200 -91.000 TYR 130 0.840 34.021 -2.649 34.126 -99.200 -91.000 TYR 151 0.840 26.128 1.029 25.466 -99.200 -91.000 PHE 152 1.000 18.655 -2.662 23.673 -99.200 -91.000 TRP 160 1.040 38.134 10.754 27.001 -99.200 -91.000 TRP6 160 1.020 39.026 9.201 28.549 -99.200 -91.000 HIS 170 0.900 41.773 8.150 17.661 -99.200 -91.000 PHE 172 1.000 38.592 2.960 19.082 -99.200 -91.000 TYR 181 0.840 23.798 -1.544 20.787 -99.200 -91.000 TRP 194 1.040 47.099 9.627 33.956 -99.200 -91.000 TRP6 194 1.020 48.077 7.470 33.983 -99.200 -91.000 HIS 205 0.900 22.188 3.648 28.536 -99.200 -91.000