============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 16 1.000 7.613 50.857 6.256 -99.200 -91.000 PHE 17 1.000 7.492 48.815 -0.245 -99.200 -91.000 HIS 20 0.900 11.634 53.007 7.987 -99.200 -91.000 PHE 26 1.000 20.194 43.517 -5.487 -99.200 -91.000 TYR 33 0.840 -3.949 51.783 -2.921 -99.200 -91.000 PHE 55 1.000 16.372 33.971 -4.986 -99.200 -91.000 TYR 60 0.840 7.899 34.842 0.756 -99.200 -91.000 TRP 67 1.040 4.579 44.978 5.713 -99.200 -91.000 TRP6 67 1.020 4.833 47.318 5.388 -99.200 -91.000 TYR 70 0.840 2.643 52.153 5.277 -99.200 -91.000 TYR 90 0.840 8.320 29.787 -5.834 -99.200 -91.000 TYR 95 0.840 9.148 33.998 -20.051 -99.200 -91.000 HIS 103 0.900 -7.403 42.156 -7.365 -99.200 -91.000 PHE 113 1.000 -6.464 44.212 9.975 -99.200 -91.000 PHE 114 1.000 -8.166 48.885 9.258 -99.200 -91.000 HIS 116 0.900 -9.436 40.879 17.250 -99.200 -91.000 PHE 117 1.000 -4.462 48.476 16.181 -99.200 -91.000 TYR 132 0.840 -1.887 36.558 -13.224 -99.200 -91.000 PHE 149 1.000 2.520 35.951 0.075 -99.200 -91.000 TYR 153 0.840 1.084 40.223 5.030 -99.200 -91.000