============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 11 1.000 -4.097 88.445 72.695 -99.200 -91.000 HIS 25 0.900 8.003 93.074 70.810 -99.200 -91.000 PHE 38 1.000 8.007 79.171 66.417 -99.200 -91.000 TYR 62 0.840 4.793 89.018 53.904 -99.200 -91.000 PHE 70 1.000 0.941 81.368 59.392 -99.200 -91.000 PHE 90 1.000 0.798 86.049 53.955 -99.200 -91.000 TYR 98 0.840 1.244 74.534 68.895 -99.200 -91.000 TYR 101 0.840 -3.151 72.397 71.489 -99.200 -91.000 TYR 102 0.840 -7.624 67.940 76.864 -99.200 -91.000 TYR 103 0.840 -7.939 65.440 72.254 -99.200 -91.000 HIS 110 0.900 -4.062 57.545 64.723 -99.200 -91.000 TYR 114 0.840 -0.690 67.945 63.404 -99.200 -91.000 PHE 115 1.000 4.237 67.168 63.905 -99.200 -91.000 HIS 124 0.900 6.420 79.686 52.274 -99.200 -91.000 TYR 127 0.840 12.056 75.915 60.088 -99.200 -91.000 TYR 129 0.840 7.057 75.280 70.030 -99.200 -91.000 TYR 131 0.840 6.850 73.890 75.802 -99.200 -91.000 PHE 150 1.000 8.974 67.688 61.320 -99.200 -91.000 HIS 162 0.900 14.452 65.356 72.809 -99.200 -91.000 TYR 166 0.840 14.968 66.814 67.676 -99.200 -91.000 TYR 176 0.840 16.667 77.332 64.477 -99.200 -91.000 TYR 201 0.840 12.217 89.462 78.902 -99.200 -91.000 PHE 226 1.000 26.616 81.397 84.333 -99.200 -91.000 HIS 228 0.900 18.354 86.705 78.637 -99.200 -91.000 PHE 238 1.000 5.081 87.664 91.457 -99.200 -91.000 TYR 245 0.840 1.663 90.220 77.032 -99.200 -91.000 TYR 250 0.840 12.449 97.760 84.493 -99.200 -91.000 PHE 251 1.000 14.867 94.524 81.348 -99.200 -91.000 TYR 254 0.840 8.303 98.251 72.233 -99.200 -91.000 TYR 258 0.840 -4.682 95.814 78.486 -99.200 -91.000 PHE 264 1.000 -7.165 85.461 84.514 -99.200 -91.000