============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 14 0.840 41.919 10.285 46.871 -99.200 -91.000 PHE 20 1.000 44.552 15.027 58.114 -99.200 -91.000 HIS 21 0.900 39.463 8.168 56.296 -99.200 -91.000 PHE 23 1.000 49.239 11.736 52.707 -99.200 -91.000 HIS 32 0.900 48.946 -4.391 63.267 -99.200 -91.000 TRP 47 1.040 63.210 5.183 51.914 -99.200 -91.000 TRP6 47 1.020 61.444 6.056 50.622 -99.200 -91.000 HIS 48 0.900 63.867 7.993 45.046 -99.200 -91.000 PHE 51 1.000 57.797 4.317 47.174 -99.200 -91.000 PHE 54 1.000 55.722 -0.246 50.330 -99.200 -91.000 HIS 61 0.900 42.848 -5.650 43.009 -99.200 -91.000 TRP 66 1.040 49.210 -4.599 58.736 -99.200 -91.000 TRP6 66 1.020 49.499 -6.904 59.229 -99.200 -91.000 PHE 84 1.000 60.453 1.070 51.930 -99.200 -91.000 HIS 86 0.900 60.900 1.968 62.164 -99.200 -91.000 HIS 96 0.900 48.055 12.607 57.858 -99.200 -91.000 PHE 119 1.000 42.015 21.876 45.466 -99.200 -91.000 TYR 120 0.840 35.966 17.229 44.163 -99.200 -91.000 PHE 127 1.000 47.763 1.867 48.503 -99.200 -91.000 TYR 142 0.840 44.810 22.769 41.771 -99.200 -91.000 TYR 148 0.840 23.445 22.240 32.399 -99.200 -91.000 TRP 149 1.040 25.635 16.883 26.177 -99.200 -91.000 TRP6 149 1.020 27.262 16.497 24.469 -99.200 -91.000 HIS 150 0.900 21.233 24.584 27.791 -99.200 -91.000 TYR 154 0.840 24.529 27.871 13.703 -99.200 -91.000