============================================================================= 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. HIS 6 0.900 29.379 48.813 3.141 -99.200 -91.000 PHE 19 1.000 41.497 58.914 -21.747 -99.200 -91.000 TYR 20 0.840 44.083 55.177 -14.770 -99.200 -91.000 PHE 23 1.000 37.502 48.392 -11.192 -99.200 -91.000 HIS 31 0.900 24.353 40.546 -3.752 -99.200 -91.000 TYR 34 0.840 31.972 43.084 -5.376 -99.200 -91.000 HIS 63 0.900 25.439 37.279 -2.187 -99.200 -91.000 TRP 66 1.040 30.736 32.536 -2.988 -99.200 -91.000 TRP6 66 1.020 28.879 31.804 -1.764 -99.200 -91.000 HIS 75 0.900 32.669 41.854 -17.340 -99.200 -91.000 PHE 79 1.000 39.350 44.918 -16.584 -99.200 -91.000 TRP 93 1.040 51.658 35.617 -0.204 -99.200 -91.000 TRP6 93 1.020 49.512 34.984 0.540 -99.200 -91.000 TRP 100 1.040 50.200 30.344 -9.905 -99.200 -91.000 TRP6 100 1.020 48.372 28.880 -9.551 -99.200 -91.000 PHE 101 1.000 44.399 31.246 -7.817 -99.200 -91.000 PHE 106 1.000 45.022 41.107 -11.407 -99.200 -91.000 PHE 108 1.000 51.570 46.216 -2.946 -99.200 -91.000 PHE 109 1.000 53.457 49.237 -9.767 -99.200 -91.000 TRP 118 1.040 54.019 47.313 -14.907 -99.200 -91.000 TRP6 118 1.020 51.866 46.556 -14.369 -99.200 -91.000