============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 2 1.000 1.180 29.154 51.274 -99.200 -91.000 HIS 10 0.900 3.935 43.329 50.517 -99.200 -91.000 HIS 14 0.900 11.972 52.058 44.323 -99.200 -91.000 PHE 15 1.000 15.493 45.084 45.411 -99.200 -91.000 HIS 39 0.900 5.958 14.031 32.154 -99.200 -91.000 TRP 44 1.040 14.040 23.289 38.720 -99.200 -91.000 TRP6 44 1.020 11.749 22.784 39.002 -99.200 -91.000 PHE 46 1.000 16.064 27.752 40.392 -99.200 -91.000 TYR 61 0.840 12.235 44.584 26.799 -99.200 -91.000 PHE 65 1.000 19.389 50.585 33.233 -99.200 -91.000 PHE 78 1.000 19.251 31.251 31.548 -99.200 -91.000 PHE 99 1.000 15.350 8.516 40.092 -99.200 -91.000 TYR 106 0.840 8.526 7.894 33.724 -99.200 -91.000 PHE 107 1.000 12.753 10.255 35.985 -99.200 -91.000 PHE 114 1.000 9.892 15.153 28.579 -99.200 -91.000 TYR 117 0.840 5.215 16.408 25.706 -99.200 -91.000 TYR 125 0.840 7.072 19.310 30.539 -99.200 -91.000 PHE 153 1.000 13.750 38.319 30.817 -99.200 -91.000 PHE 168 1.000 20.497 24.183 30.633 -99.200 -91.000 TYR 178 0.840 17.880 41.215 53.570 -99.200 -91.000 TYR 187 0.840 -8.722 44.543 42.201 -99.200 -91.000