============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 4 0.840 62.508 49.198 -3.797 -99.200 -91.000 PHE 8 1.000 59.569 44.537 -0.644 -99.200 -91.000 PHE 19 1.000 50.315 45.212 -10.616 -99.200 -91.000 PHE 22 1.000 59.256 48.342 -18.059 -99.200 -91.000 PHE 54 1.000 72.032 57.614 -24.073 -99.200 -91.000 PHE 67 1.000 65.305 58.521 -37.638 -99.200 -91.000 PHE 77 1.000 68.401 60.940 -14.040 -99.200 -91.000 HIS 87 0.900 52.196 59.933 -6.967 -99.200 -91.000 TYR 97 0.840 69.387 46.760 -22.328 -99.200 -91.000 PHE 102 1.000 79.369 51.508 -19.005 -99.200 -91.000 PHE 109 1.000 72.051 56.553 -14.170 -99.200 -91.000 TYR 110 0.840 74.399 53.808 -9.716 -99.200 -91.000 PHE 134 1.000 77.388 49.672 -13.863 -99.200 -91.000 HIS 141 0.900 76.672 59.288 -5.255 -99.200 -91.000 PHE 147 1.000 73.945 43.071 -8.106 -99.200 -91.000 TYR 164 0.840 78.635 41.172 -4.544 -99.200 -91.000 TYR 168 0.840 63.520 45.270 -6.996 -99.200 -91.000 TYR 170 0.840 63.200 41.211 -12.625 -99.200 -91.000 HIS 188 0.900 65.410 24.998 -4.576 -99.200 -91.000 TYR 196 0.840 72.029 30.935 0.653 -99.200 -91.000 PHE 205 1.000 60.364 36.749 -19.880 -99.200 -91.000 HIS 237 0.900 42.050 51.965 -24.969 -99.200 -91.000 PHE 251 1.000 47.132 45.035 -16.226 -99.200 -91.000