============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 34 0.900 85.369 3.767 19.660 -99.200 -91.000 TYR 35 0.840 79.406 0.143 24.685 -99.200 -91.000 TRP 36 1.040 87.144 0.926 25.983 -99.200 -91.000 TRP6 36 1.020 89.113 1.376 24.766 -99.200 -91.000 TRP 38 1.040 88.788 -7.935 29.956 -99.200 -91.000 TRP6 38 1.020 91.149 -7.920 30.115 -99.200 -91.000 TRP 49 1.040 82.117 -10.412 24.177 -99.200 -91.000 TRP6 49 1.020 79.891 -10.535 24.940 -99.200 -91.000 TYR 54 0.840 79.934 4.438 27.382 -99.200 -91.000 TYR 55 0.840 82.523 7.608 30.063 -99.200 -91.000 TYR 60 0.840 75.844 -3.913 27.167 -99.200 -91.000 PHE 61 1.000 79.412 -8.900 33.174 -99.200 -91.000 PHE 80 1.000 89.700 -3.018 29.007 -99.200 -91.000 TYR 94 0.840 91.645 -15.466 30.053 -99.200 -91.000 TYR 95 0.840 94.268 -12.879 22.174 -99.200 -91.000 TYR 104 0.840 78.150 5.822 21.268 -99.200 -91.000 TRP 112 1.040 91.279 -7.861 18.423 -99.200 -91.000 TRP6 112 1.020 90.535 -10.001 19.089 -99.200 -91.000 PHE 131 1.000 121.467 -27.316 34.610 -99.200 -91.000 PHE 146 1.000 110.837 -22.642 31.932 -99.200 -91.000 PHE 153 1.000 115.458 -19.265 26.519 -99.200 -91.000 TRP 155 1.040 121.382 -16.728 22.919 -99.200 -91.000 TRP6 155 1.020 122.846 -18.383 23.753 -99.200 -91.000 TYR 157 0.840 128.297 -12.017 19.349 -99.200 -91.000 PHE 169 1.000 114.558 -24.451 18.353 -99.200 -91.000 TYR 178 0.840 104.835 -25.280 30.757 -99.200 -91.000 HIS 198 0.900 132.916 -17.287 29.284 -99.200 -91.000 HIS 205 0.900 109.550 -17.648 34.867 -99.200 -91.000