============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 4 1.000 71.206 66.523 66.630 -99.200 -91.000 HIS 5 0.900 75.617 67.987 66.077 -99.200 -91.000 TYR 18 0.840 65.634 74.549 75.755 -99.200 -91.000 TYR 31 0.840 58.485 71.961 55.620 -99.200 -91.000 TYR 47 0.840 54.828 59.099 47.866 -99.200 -91.000 PHE 50 1.000 46.439 59.989 55.086 -99.200 -91.000 PHE 51 1.000 45.269 67.671 59.617 -99.200 -91.000 TYR 52 0.840 54.129 65.241 59.885 -99.200 -91.000 TYR 56 0.840 57.785 64.407 63.898 -99.200 -91.000 TRP 63 1.040 72.506 58.800 67.143 -99.200 -91.000 TRP6 63 1.020 72.350 60.363 65.381 -99.200 -91.000 TYR 64 0.840 64.847 56.149 70.566 -99.200 -91.000 PHE 70 1.000 63.262 59.794 72.155 -99.200 -91.000 TYR 81 0.840 55.488 81.484 61.807 -99.200 -91.000 TRP 104 1.040 59.599 52.815 70.847 -99.200 -91.000 TRP6 104 1.020 59.669 52.146 73.106 -99.200 -91.000 TYR 115 0.840 43.091 73.791 76.279 -99.200 -91.000 PHE 116 1.000 47.738 71.901 75.679 -99.200 -91.000 TRP 119 1.040 45.774 68.379 79.054 -99.200 -91.000 TRP6 119 1.020 45.587 67.565 76.844 -99.200 -91.000 PHE 129 1.000 45.563 65.174 69.818 -99.200 -91.000 HIS 135 0.900 43.745 55.792 60.670 -99.200 -91.000 PHE 136 1.000 50.674 61.882 60.214 -99.200 -91.000 PHE 137 1.000 53.586 59.769 63.606 -99.200 -91.000 TYR 140 0.840 54.154 58.874 58.436 -99.200 -91.000 TRP 153 1.040 49.288 55.984 72.441 -99.200 -91.000 TRP6 153 1.020 50.288 57.999 71.723 -99.200 -91.000 TYR 170 0.840 74.635 64.872 70.683 -99.200 -91.000 PHE 174 1.000 76.820 63.101 66.873 -99.200 -91.000