============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 3 1.000 38.428 -82.446 -56.823 -99.200 -91.000 PHE 18 1.000 38.541 -91.429 -41.749 -99.200 -91.000 HIS 22 0.900 35.790 -87.366 -41.549 -99.200 -91.000 PHE 27 1.000 34.110 -96.001 -32.766 -99.200 -91.000 TYR 31 0.840 34.778-106.229 -39.936 -99.200 -91.000 HIS 40 0.900 28.622 -94.247 -47.416 -99.200 -91.000 PHE 44 1.000 35.567 -83.100 -45.537 -99.200 -91.000 HIS 45 0.900 30.194 -76.265 -45.679 -99.200 -91.000 PHE 53 1.000 37.713 -84.756 -50.417 -99.200 -91.000 TRP 56 1.040 33.157 -94.325 -55.754 -99.200 -91.000 TRP6 56 1.020 32.495 -95.980 -57.298 -99.200 -91.000 PHE 64 1.000 31.510-110.767 -47.844 -99.200 -91.000 TYR 71 0.840 33.694-101.676 -56.732 -99.200 -91.000 TYR 72 0.840 41.045 -99.845 -56.729 -99.200 -91.000 PHE 82 1.000 48.998 -98.442 -41.571 -99.200 -91.000 TYR 90 0.840 53.421-100.734 -42.814 -99.200 -91.000 TRP 96 1.040 44.690-103.233 -49.420 -99.200 -91.000 TRP6 96 1.020 42.674-103.929 -50.433 -99.200 -91.000 HIS 97 0.900 51.513 -97.486 -54.413 -99.200 -91.000 PHE 130 1.000 53.908 -98.806 -49.838 -99.200 -91.000 HIS 131 0.900 55.240 -92.817 -45.039 -99.200 -91.000 TYR 138 0.840 51.160 -92.873 -41.115 -99.200 -91.000 TYR 139 0.840 48.266 -86.303 -42.388 -99.200 -91.000 TYR 147 0.840 46.287 -88.109 -32.972 -99.200 -91.000 PHE 149 1.000 36.695 -88.259 -37.826 -99.200 -91.000 PHE 153 1.000 38.089 -87.299 -45.622 -99.200 -91.000 TRP 155 1.040 48.797 -83.924 -48.117 -99.200 -91.000 TRP6 155 1.020 48.698 -85.449 -49.922 -99.200 -91.000 PHE 168 1.000 38.929 -79.750 -44.813 -99.200 -91.000