============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 7 1.000 50.842 83.095 68.564 -99.200 -91.000 PHE 13 1.000 47.576 72.467 68.159 -99.200 -91.000 HIS 21 0.900 36.616 85.351 62.354 -99.200 -91.000 TYR 23 0.840 40.908 92.853 69.367 -99.200 -91.000 HIS 27 0.900 37.169 96.607 67.641 -99.200 -91.000 TYR 35 0.840 54.688 90.225 65.758 -99.200 -91.000 PHE 55 1.000 46.139 86.569 74.881 -99.200 -91.000 HIS 80 0.900 47.705 51.854 69.259 -99.200 -91.000 HIS 83 0.900 49.305 52.195 77.655 -99.200 -91.000 HIS 94 0.900 43.983 59.452 90.495 -99.200 -91.000 TYR 106 0.840 54.509 68.248 74.009 -99.200 -91.000 PHE 114 1.000 53.104 70.322 78.291 -99.200 -91.000 HIS 117 0.900 53.039 73.111 83.671 -99.200 -91.000 PHE 122 1.000 54.577 62.348 85.982 -99.200 -91.000 HIS 125 0.900 51.257 65.882 93.876 -99.200 -91.000 PHE 164 1.000 43.768 53.620 62.143 -99.200 -91.000 TYR 168 0.840 44.317 63.365 72.432 -99.200 -91.000 TYR 181 0.840 49.603 82.578 84.587 -99.200 -91.000 TYR 192 0.840 42.775 100.561 69.044 -99.200 -91.000 TYR 194 0.840 40.561 98.943 80.091 -99.200 -91.000 TYR 197 0.840 42.405 93.601 79.582 -99.200 -91.000 TYR 204 0.840 38.124 82.480 79.022 -99.200 -91.000 TYR 206 0.840 28.564 80.382 72.110 -99.200 -91.000 PHE 209 1.000 36.166 77.551 79.386 -99.200 -91.000