============================================================================= 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 5 1.000 105.607 57.630 90.931 -99.200 -91.000 TYR 7 0.840 95.532 57.358 86.254 -99.200 -91.000 TYR 56 0.840 93.797 48.610 99.080 -99.200 -91.000 HIS 62 0.900 103.709 61.927 93.902 -99.200 -91.000 PHE 64 1.000 99.255 65.821 90.117 -99.200 -91.000 TYR 70 0.840 84.785 62.444 87.910 -99.200 -91.000 TYR 72 0.840 91.364 60.008 80.955 -99.200 -91.000 HIS 77 0.900 92.903 62.602 84.491 -99.200 -91.000 PHE 85 1.000 104.414 58.477 85.979 -99.200 -91.000 HIS 127 0.900 117.276 40.231 78.418 -99.200 -91.000 TYR 136 0.840 120.326 45.536 80.269 -99.200 -91.000 TYR 141 0.840 111.585 38.194 84.096 -99.200 -91.000 PHE 147 1.000 100.227 34.466 68.431 -99.200 -91.000 HIS 160 0.900 114.024 53.323 75.345 -99.200 -91.000 TYR 179 0.840 102.105 51.464 104.225 -99.200 -91.000 HIS 186 0.900 102.451 66.784 93.235 -99.200 -91.000 TYR 191 0.840 103.143 68.710 88.548 -99.200 -91.000 TYR 197 0.840 92.840 70.836 72.267 -99.200 -91.000