============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 27 0.840 78.128 54.079 76.224 -99.200 -91.000 PHE 29 1.000 78.876 52.955 83.038 -99.200 -91.000 TYR 32 0.840 76.092 59.020 75.725 -99.200 -91.000 TRP 36 1.040 68.911 48.340 83.650 -99.200 -91.000 TRP6 36 1.020 69.955 46.282 83.160 -99.200 -91.000 TRP 47 1.040 62.188 53.799 81.736 -99.200 -91.000 TRP6 47 1.020 61.360 55.005 83.594 -99.200 -91.000 TYR 54 0.840 79.686 63.512 86.422 -99.200 -91.000 TYR 55 0.840 75.682 65.249 87.652 -99.200 -91.000 TYR 60 0.840 64.231 52.730 91.133 -99.200 -91.000 PHE 64 1.000 58.156 47.241 86.396 -99.200 -91.000 TYR 80 0.840 76.617 45.219 88.272 -99.200 -91.000 TYR 94 0.840 63.141 42.092 83.530 -99.200 -91.000 TYR 95 0.840 65.522 43.453 75.023 -99.200 -91.000 TYR 104 0.840 65.277 60.738 80.545 -99.200 -91.000 PHE 105 1.000 64.416 54.221 76.571 -99.200 -91.000 TYR 107 0.840 74.260 52.743 69.801 -99.200 -91.000 TRP 108 1.040 66.913 49.432 72.516 -99.200 -91.000 TRP6 108 1.020 65.018 49.048 73.861 -99.200 -91.000 TYR 127 0.840 65.152 12.130 71.166 -99.200 -91.000 TYR 150 0.840 63.779 23.149 75.891 -99.200 -91.000 PHE 151 1.000 60.571 25.503 83.763 -99.200 -91.000 TRP 159 1.040 71.195 22.941 62.517 -99.200 -91.000 TRP6 159 1.020 70.859 20.638 62.228 -99.200 -91.000 HIS 169 0.900 63.638 27.638 57.263 -99.200 -91.000 PHE 171 1.000 60.807 25.583 61.952 -99.200 -91.000 TYR 180 0.840 59.224 26.169 77.393 -99.200 -91.000 TRP 193 1.040 74.763 14.596 55.780 -99.200 -91.000 TRP6 193 1.020 73.114 12.987 56.241 -99.200 -91.000 HIS 204 0.900 68.364 23.442 79.789 -99.200 -91.000