============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 17.655 118.720 62.285 -99.200 -91.000 PHE 29 1.000 15.668 124.123 60.574 -99.200 -91.000 TYR 32 0.840 14.677 115.512 59.168 -99.200 -91.000 TRP 33 1.040 6.838 118.358 57.059 -99.200 -91.000 TRP6 33 1.020 4.730 119.429 56.966 -99.200 -91.000 TRP 36 1.040 7.805 126.658 67.227 -99.200 -91.000 TRP6 36 1.020 9.485 127.149 68.806 -99.200 -91.000 TRP 47 1.040 0.973 120.144 66.725 -99.200 -91.000 TRP6 47 1.020 -0.695 120.937 65.257 -99.200 -91.000 TYR 60 0.840 -0.063 128.642 62.646 -99.200 -91.000 PHE 68 1.000 0.664 131.126 70.420 -99.200 -91.000 TYR 80 0.840 13.490 132.620 63.407 -99.200 -91.000 TYR 94 0.840 5.246 128.758 74.600 -99.200 -91.000 TYR 95 0.840 9.138 121.327 76.372 -99.200 -91.000 PHE 101 1.000 4.370 115.244 56.803 -99.200 -91.000 TYR 104 0.840 5.574 104.139 50.036 -99.200 -91.000 HIS 106 0.900 -0.986 107.672 55.258 -99.200 -91.000 TYR 107 0.840 7.667 106.583 61.633 -99.200 -91.000 TYR 111 0.840 16.936 113.004 67.582 -99.200 -91.000 TRP 112 1.040 10.051 115.892 71.529 -99.200 -91.000 TRP6 112 1.020 8.046 116.849 72.315 -99.200 -91.000 PHE 131 1.000 17.030 133.388 103.342 -99.200 -91.000 TYR 154 0.840 12.512 131.179 92.260 -99.200 -91.000 PHE 155 1.000 6.345 135.768 88.696 -99.200 -91.000 TRP 163 1.040 24.574 121.813 95.485 -99.200 -91.000 TRP6 163 1.020 24.607 122.849 97.615 -99.200 -91.000 HIS 173 0.900 18.150 113.503 96.017 -99.200 -91.000 PHE 175 1.000 13.854 118.084 97.525 -99.200 -91.000 TYR 185 0.840 6.906 130.091 90.476 -99.200 -91.000 TYR 203 0.840 30.813 119.912 101.197 -99.200 -91.000 HIS 209 0.900 15.008 134.731 88.876 -99.200 -91.000