============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 5 0.840 42.512 -0.850 21.704 -99.200 -91.000 PHE 9 1.000 39.896 -0.159 26.124 -99.200 -91.000 HIS 16 0.900 36.472 1.504 22.523 -99.200 -91.000 PHE 27 1.000 51.209 -5.584 16.969 -99.200 -91.000 PHE 44 1.000 29.935 1.683 32.874 -99.200 -91.000 HIS 68 0.900 49.915 1.466 34.694 -99.200 -91.000 HIS 69 0.900 44.579 1.881 39.635 -99.200 -91.000 TYR 75 0.840 50.559 -3.093 31.991 -99.200 -91.000 HIS 79 0.900 53.487 -6.029 33.107 -99.200 -91.000 TYR 94 0.840 47.214 13.332 12.451 -99.200 -91.000 TYR 96 0.840 44.895 12.966 23.714 -99.200 -91.000 TYR 108 0.840 59.286 1.515 26.684 -99.200 -91.000 PHE 115 1.000 48.510 6.263 16.354 -99.200 -91.000 PHE 122 1.000 31.949 -0.575 14.520 -99.200 -91.000 PHE 124 1.000 32.262 9.688 10.413 -99.200 -91.000 TYR 136 0.840 20.357 13.866 27.197 -99.200 -91.000 TRP 143 1.040 26.484 3.595 17.408 -99.200 -91.000 TRP6 143 1.020 25.192 5.362 18.279 -99.200 -91.000