============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 8 1.000 40.179 131.415 -2.133 -99.200 -91.000 TYR 12 0.840 35.098 136.933 -1.175 -99.200 -91.000 TRP 14 1.040 30.152 128.026 6.096 -99.200 -91.000 TRP6 14 1.020 32.141 128.266 7.341 -99.200 -91.000 HIS 18 0.900 37.150 116.425 25.749 -99.200 -91.000 TYR 19 0.840 34.859 112.004 21.604 -99.200 -91.000 TRP 21 1.040 36.732 109.945 12.614 -99.200 -91.000 TRP6 21 1.020 34.704 109.209 13.575 -99.200 -91.000 PHE 43 1.000 45.092 115.826 16.874 -99.200 -91.000 HIS 45 0.900 46.452 110.030 9.791 -99.200 -91.000 HIS 54 0.900 52.174 96.205 12.526 -99.200 -91.000 PHE 57 1.000 58.528 109.415 12.728 -99.200 -91.000 TYR 65 0.840 50.090 117.065 19.323 -99.200 -91.000 HIS 74 0.900 36.682 107.562 25.002 -99.200 -91.000 HIS 80 0.900 34.673 105.165 3.619 -99.200 -91.000 HIS 87 0.900 34.866 98.544 -3.661 -99.200 -91.000 TRP 101 1.040 48.336 103.414 2.414 -99.200 -91.000 TRP6 101 1.020 49.488 104.377 4.228 -99.200 -91.000 HIS 104 0.900 51.528 97.835 5.270 -99.200 -91.000 TRP 109 1.040 41.186 89.195 0.190 -99.200 -91.000 TRP6 109 1.020 41.489 89.830 -2.051 -99.200 -91.000 PHE 110 1.000 46.649 86.921 -0.628 -99.200 -91.000 HIS 112 0.900 41.193 88.076 9.127 -99.200 -91.000 HIS 114 0.900 38.436 78.205 5.367 -99.200 -91.000 TYR 138 0.840 45.632 91.925 17.450 -99.200 -91.000 TRP 150 1.040 45.654 100.743 27.086 -99.200 -91.000 TRP6 150 1.020 45.646 99.105 25.386 -99.200 -91.000 HIS 159 0.900 35.816 103.570 21.755 -99.200 -91.000 TRP 161 1.040 32.729 102.819 16.739 -99.200 -91.000 TRP6 161 1.020 32.545 105.061 17.429 -99.200 -91.000 PHE 163 1.000 28.512 107.402 7.632 -99.200 -91.000 PHE 169 1.000 20.730 104.032 11.187 -99.200 -91.000 TYR 187 0.840 42.376 90.340 16.246 -99.200 -91.000