============================================================================= 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 32 1.000 -2.021 -6.639 26.842 -99.200 -91.000 HIS 33 0.900 2.351 -13.430 29.479 -99.200 -91.000 TRP 34 1.040 4.698 -6.548 26.717 -99.200 -91.000 TRP6 34 1.020 3.653 -5.149 25.126 -99.200 -91.000 TRP 36 1.040 12.841 -8.025 22.380 -99.200 -91.000 TRP6 36 1.020 13.134 -6.040 21.123 -99.200 -91.000 TYR 47 0.840 9.369 -17.280 21.649 -99.200 -91.000 TYR 50 0.840 6.657 -16.242 27.874 -99.200 -91.000 TYR 52 0.840 2.344 -11.534 33.289 -99.200 -91.000 TYR 53 0.840 2.017 -7.198 35.078 -99.200 -91.000 TYR 59 0.840 15.220 -15.283 28.523 -99.200 -91.000 PHE 78 1.000 9.125 -5.664 24.817 -99.200 -91.000 TYR 92 0.840 17.703 -9.143 16.222 -99.200 -91.000 TYR 93 0.840 9.982 -7.583 12.146 -99.200 -91.000 PHE 98 1.000 -2.440 -14.096 19.573 -99.200 -91.000 TYR 101 0.840 -1.227 -18.173 33.559 -99.200 -91.000 HIS 102 0.900 -2.261 -24.698 29.912 -99.200 -91.000 TYR 103 0.840 -5.025 -19.728 36.368 -99.200 -91.000 PHE 108 1.000 1.390 -16.047 27.233 -99.200 -91.000 PHE 113 1.000 4.859 -13.898 18.619 -99.200 -91.000 TRP 116 1.040 3.692 -8.810 14.661 -99.200 -91.000 TRP6 116 1.020 5.492 -10.293 14.272 -99.200 -91.000 PHE 135 1.000 38.527 -15.144 -7.503 -99.200 -91.000 TYR 158 0.840 30.301 -6.746 -3.091 -99.200 -91.000 PHE 159 1.000 30.122 -4.394 5.130 -99.200 -91.000 TRP 167 1.040 29.473 -8.404 -18.725 -99.200 -91.000 TRP6 167 1.020 31.106 -10.116 -18.735 -99.200 -91.000 HIS 177 0.900 19.963 -11.787 -15.041 -99.200 -91.000 PHE 179 1.000 21.854 -14.030 -12.367 -99.200 -91.000 TYR 189 0.840 26.406 -7.409 1.236 -99.200 -91.000 TYR 207 0.840 32.539 -11.426 -25.581 -99.200 -91.000 HIS 213 0.900 33.283 -2.246 -2.782 -99.200 -91.000