============================================================================= 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. PHE 3 1.000 32.789 -82.078 18.603 -99.200 -91.000 TYR 10 0.840 36.247 -76.086 25.076 -99.200 -91.000 TYR 14 0.840 42.111 -75.298 26.309 -99.200 -91.000 HIS 21 0.900 54.090 -73.453 25.656 -99.200 -91.000 TYR 57 0.840 62.033 -92.463 23.596 -99.200 -91.000 HIS 84 0.900 49.459-102.655 15.322 -99.200 -91.000 TYR 88 0.840 51.587-106.527 9.851 -99.200 -91.000 TYR 92 0.840 48.920-110.116 9.051 -99.200 -91.000 TYR 112 0.840 43.640 -92.252 26.130 -99.200 -91.000 HIS 115 0.900 35.910 -93.918 23.144 -99.200 -91.000 PHE 121 1.000 47.891 -91.136 25.689 -99.200 -91.000 PHE 125 1.000 54.644 -90.489 19.431 -99.200 -91.000 TYR 127 0.840 54.439 -92.046 14.102 -99.200 -91.000 TYR 130 0.840 62.740 -99.684 2.991 -99.200 -91.000 TYR 134 0.840 52.698 -96.833 -0.163 -99.200 -91.000 TYR 136 0.840 64.849 -94.761 2.892 -99.200 -91.000 TYR 139 0.840 53.512 -92.168 7.302 -99.200 -91.000 TYR 147 0.840 47.728 -91.541 9.549 -99.200 -91.000 TRP 150 1.040 54.207 -83.964 7.317 -99.200 -91.000 TRP6 150 1.020 53.221 -81.891 6.787 -99.200 -91.000 TYR 170 0.840 62.648 -82.064 0.753 -99.200 -91.000 TYR 197 0.840 79.042 -81.728 23.175 -99.200 -91.000 PHE 202 1.000 71.125 -84.960 13.055 -99.200 -91.000 TYR 215 0.840 73.303 -99.208 11.318 -99.200 -91.000 PHE 219 1.000 74.270 -89.507 13.200 -99.200 -91.000