============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 3 1.000 -7.801 7.451 12.846 -99.200 -91.000 TYR 13 0.840 2.783 7.448 2.646 -99.200 -91.000 TRP 25 1.040 1.956 -0.709 11.399 -99.200 -91.000 TRP6 25 1.020 2.380 -1.155 13.684 -99.200 -91.000 HIS 31 0.900 -8.624 -9.248 14.132 -99.200 -91.000 TYR 35 0.840 -9.938 -0.059 11.461 -99.200 -91.000 TYR 51 0.840 -4.630 2.877 29.236 -99.200 -91.000 PHE 54 1.000 -1.796 1.274 16.153 -99.200 -91.000 TYR 59 0.840 4.457 -5.016 34.584 -99.200 -91.000 TYR 60 0.840 5.432 -6.081 29.782 -99.200 -91.000 TRP 61 1.040 4.486 -2.042 25.426 -99.200 -91.000 TRP6 61 1.020 6.661 -2.159 24.517 -99.200 -91.000 PHE 69 1.000 7.987 -0.884 37.154 -99.200 -91.000 TYR 71 0.840 9.621 -3.431 33.185 -99.200 -91.000 HIS 75 0.900 10.957 6.161 27.319 -99.200 -91.000 TRP 102 1.040 4.559 -7.244 11.874 -99.200 -91.000 TRP6 102 1.020 3.439 -5.178 11.929 -99.200 -91.000 TRP 105 1.040 -0.220 -4.853 18.860 -99.200 -91.000 TRP6 105 1.020 1.860 -3.965 18.133 -99.200 -91.000 TRP 108 1.040 2.094 -11.402 13.658 -99.200 -91.000 TRP6 108 1.020 1.982 -10.046 11.737 -99.200 -91.000 TYR 110 0.840 -7.517 -13.225 15.292 -99.200 -91.000 PHE 122 1.000 -1.639 5.142 1.230 -99.200 -91.000