============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 2 1.000 -26.221 12.151 9.968 -99.200 -91.000 HIS 3 0.900 -22.160 14.229 17.103 -99.200 -91.000 TYR 23 0.840 -13.311 -21.394 19.134 -99.200 -91.000 TYR 25 0.840 -4.383 -16.175 15.137 -99.200 -91.000 HIS 48 0.900 -15.663 0.493 22.218 -99.200 -91.000 HIS 55 0.900 -22.516 -0.430 36.979 -99.200 -91.000 HIS 62 0.900 -30.239 5.539 31.920 -99.200 -91.000 PHE 70 1.000 -29.003 3.594 14.032 -99.200 -91.000 PHE 78 1.000 -24.721 -7.824 30.434 -99.200 -91.000 HIS 80 0.900 -28.741 -14.648 24.277 -99.200 -91.000 PHE 96 1.000 -31.557 -1.609 19.825 -99.200 -91.000 HIS 100 0.900 -25.645 -11.013 19.213 -99.200 -91.000 HIS 105 0.900 -31.549 -17.218 15.588 -99.200 -91.000 PHE 110 1.000 -27.973 -20.508 26.714 -99.200 -91.000 HIS 112 0.900 -32.373 -20.344 18.247 -99.200 -91.000 HIS 113 0.900 -35.935 -14.330 25.579 -99.200 -91.000 TYR 115 0.840 -35.827 -10.471 28.128 -99.200 -91.000 TYR 132 0.840 -18.729 -4.943 16.097 -99.200 -91.000 PHE 134 1.000 -21.091 -5.986 5.828 -99.200 -91.000