============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 5 0.840 49.663 60.416 -4.466 -99.200 -91.000 PHE 12 1.000 50.111 55.305 5.153 -99.200 -91.000 PHE 19 1.000 56.788 57.192 -2.748 -99.200 -91.000 TYR 23 0.840 61.654 61.109 -1.780 -99.200 -91.000 TYR 65 0.840 79.310 58.788 18.149 -99.200 -91.000 HIS 70 0.900 74.863 47.767 29.550 -99.200 -91.000 TYR 100 0.840 62.192 50.378 34.981 -99.200 -91.000 PHE 116 1.000 62.887 61.342 20.170 -99.200 -91.000 TYR 120 0.840 60.823 63.894 16.534 -99.200 -91.000 TYR 123 0.840 52.173 62.744 16.227 -99.200 -91.000 PHE 129 1.000 65.415 62.547 15.381 -99.200 -91.000 TYR 145 0.840 68.713 44.871 19.328 -99.200 -91.000 TYR 156 0.840 70.441 43.193 10.128 -99.200 -91.000 PHE 171 1.000 83.898 39.446 2.963 -99.200 -91.000 PHE 172 1.000 80.232 41.366 7.702 -99.200 -91.000 TYR 176 0.840 78.275 36.131 11.134 -99.200 -91.000 PHE 182 1.000 86.739 40.624 20.207 -99.200 -91.000 TYR 210 0.840 86.936 45.155 22.582 -99.200 -91.000 PHE 218 1.000 82.912 51.491 23.588 -99.200 -91.000 TYR 229 0.840 92.881 41.912 16.143 -99.200 -91.000