============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 11 1.000 74.073 173.822 44.091 -99.200 -91.000 TYR 41 0.840 60.762 198.128 54.201 -99.200 -91.000 PHE 42 1.000 68.256 198.002 50.248 -99.200 -91.000 HIS 44 0.900 60.906 194.802 58.083 -99.200 -91.000 TYR 45 0.840 69.747 192.955 51.965 -99.200 -91.000 PHE 60 1.000 59.513 198.060 41.548 -99.200 -91.000 TYR 61 0.840 68.228 198.330 39.273 -99.200 -91.000 HIS 103 0.900 80.645 198.074 49.002 -99.200 -91.000 PHE 124 1.000 75.882 172.873 49.157 -99.200 -91.000 HIS 127 0.900 74.249 166.829 53.114 -99.200 -91.000 HIS 136 0.900 79.965 152.096 69.374 -99.200 -91.000 TYR 143 0.840 68.569 142.160 51.243 -99.200 -91.000 HIS 169 0.900 73.207 142.823 52.702 -99.200 -91.000 HIS 197 0.900 86.206 153.917 52.163 -99.200 -91.000 PHE 213 1.000 85.285 141.971 52.730 -99.200 -91.000 HIS 229 0.900 69.506 148.069 71.632 -99.200 -91.000 TYR 267 0.840 61.821 150.437 56.698 -99.200 -91.000 PHE 280 1.000 48.399 134.968 63.788 -99.200 -91.000