============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 3 1.000 31.982 62.796 41.303 -99.200 -91.000 HIS 9 0.900 35.793 71.640 48.424 -99.200 -91.000 HIS 63 0.900 24.367 67.542 42.168 -99.200 -91.000 PHE 75 1.000 38.226 59.032 41.817 -99.200 -91.000 PHE 76 1.000 45.023 59.449 47.750 -99.200 -91.000 PHE 106 1.000 44.138 61.142 34.397 -99.200 -91.000 PHE 116 1.000 32.054 48.687 47.889 -99.200 -91.000 TRP 122 1.040 25.141 47.758 62.830 -99.200 -91.000 TRP6 122 1.020 25.577 49.175 64.670 -99.200 -91.000 PHE 128 1.000 30.506 56.158 74.033 -99.200 -91.000 PHE 144 1.000 52.428 51.034 74.349 -99.200 -91.000 HIS 148 0.900 51.525 43.658 66.782 -99.200 -91.000 TYR 153 0.840 38.804 34.804 69.154 -99.200 -91.000 TYR 154 0.840 41.105 35.931 74.124 -99.200 -91.000 PHE 160 1.000 37.700 51.365 71.795 -99.200 -91.000 HIS 175 0.900 53.913 37.875 76.321 -99.200 -91.000 HIS 191 0.900 27.908 47.010 75.981 -99.200 -91.000 HIS 226 0.900 27.963 60.657 61.409 -99.200 -91.000 PHE 230 1.000 35.764 62.380 56.656 -99.200 -91.000 PHE 232 1.000 35.941 52.046 61.606 -99.200 -91.000 PHE 241 1.000 41.096 42.812 76.338 -99.200 -91.000 TYR 244 0.840 40.965 47.866 84.226 -99.200 -91.000 HIS 255 0.900 54.039 55.124 95.585 -99.200 -91.000 PHE 267 1.000 64.758 51.548 82.346 -99.200 -91.000 PHE 278 1.000 64.296 34.781 75.696 -99.200 -91.000 TYR 284 0.840 71.100 45.801 91.046 -99.200 -91.000 TYR 310 0.840 62.774 53.679 96.226 -99.200 -91.000 PHE 319 1.000 61.637 46.893 84.525 -99.200 -91.000 TYR 323 0.840 57.205 43.301 76.638 -99.200 -91.000 TYR 359 0.840 50.982 53.052 79.661 -99.200 -91.000