id sid tid token lemma pos 5138jd4913p 1 1 a a DET 5138jd4913p 1 2 series series NOUN 5138jd4913p 1 3 of of ADP 5138jd4913p 1 4 disaccharides disaccharide NOUN 5138jd4913p 1 5 containing contain VERB 5138jd4913p 1 6 beta-(1->4 beta-(1->4 NOUN 5138jd4913p 1 7 ) ) PUNCT 5138jd4913p 1 8 o o ADJ 5138jd4913p 1 9 - - ADJ 5138jd4913p 1 10 glycosidic glycosidic ADJ 5138jd4913p 1 11 linkages linkage NOUN 5138jd4913p 1 12 were be AUX 5138jd4913p 1 13 synthesized synthesize VERB 5138jd4913p 1 14 with with ADP 5138jd4913p 1 15 13c 13c NUM 5138jd4913p 1 16 - - PUNCT 5138jd4913p 1 17 enrichment enrichment NOUN 5138jd4913p 1 18 at at ADP 5138jd4913p 1 19 the the DET 5138jd4913p 1 20 two two NUM 5138jd4913p 1 21 carbons carbon NOUN 5138jd4913p 1 22 involved involve VERB 5138jd4913p 1 23 in in ADP 5138jd4913p 1 24 the the DET 5138jd4913p 1 25 linkage linkage NOUN 5138jd4913p 1 26 . . PUNCT 5138jd4913p 2 1 karplus karplus ADJ 5138jd4913p 2 2 equations equation NOUN 5138jd4913p 2 3 for for ADP 5138jd4913p 2 4 these these DET 5138jd4913p 2 5 six six NUM 5138jd4913p 2 6 trans trans NOUN 5138jd4913p 2 7 - - ADJ 5138jd4913p 2 8 glycoside glycoside ADJ 5138jd4913p 2 9 j j NOUN 5138jd4913p 2 10 - - PUNCT 5138jd4913p 2 11 couplings coupling NOUN 5138jd4913p 2 12 were be AUX 5138jd4913p 2 13 derived derive VERB 5138jd4913p 2 14 from from ADP 5138jd4913p 2 15 dft dft ADJ 5138jd4913p 2 16 calculations calculation NOUN 5138jd4913p 2 17 . . PUNCT 5138jd4913p 3 1 molecular molecular ADJ 5138jd4913p 3 2 dynamics dynamic NOUN 5138jd4913p 3 3 ( ( PUNCT 5138jd4913p 3 4 md md PROPN 5138jd4913p 3 5 ) ) PUNCT 5138jd4913p 3 6 simulations simulation NOUN 5138jd4913p 3 7 using use VERB 5138jd4913p 3 8 both both CCONJ 5138jd4913p 3 9 the the DET 5138jd4913p 3 10 charmm charmm PROPN 5138jd4913p 3 11 and and CCONJ 5138jd4913p 3 12 amber amber PROPN 5138jd4913p 3 13 force force NOUN 5138jd4913p 3 14 fields field NOUN 5138jd4913p 3 15 for for ADP 5138jd4913p 3 16 five five NUM 5138jd4913p 3 17 representative representative ADJ 5138jd4913p 3 18 disaccharides disaccharide NOUN 5138jd4913p 3 19 containing contain VERB 5138jd4913p 3 20 ìøå¢beta-(1->4 ìøå¢beta-(1->4 NOUN 5138jd4913p 3 21 ) ) PUNCT 5138jd4913p 3 22 o o ADJ 5138jd4913p 3 23 - - ADJ 5138jd4913p 3 24 glycosidic glycosidic ADJ 5138jd4913p 3 25 linkage linkage NOUN 5138jd4913p 3 26 have have AUX 5138jd4913p 3 27 been be AUX 5138jd4913p 3 28 carried carry VERB 5138jd4913p 3 29 out out ADP 5138jd4913p 3 30 to to PART 5138jd4913p 3 31 study study VERB 5138jd4913p 3 32 the the DET 5138jd4913p 3 33 structural structural ADJ 5138jd4913p 3 34 and and CCONJ 5138jd4913p 3 35 dynamic dynamic ADJ 5138jd4913p 3 36 properties property NOUN 5138jd4913p 3 37 of of ADP 5138jd4913p 3 38 the the DET 5138jd4913p 3 39 linkage linkage NOUN 5138jd4913p 3 40 . . PUNCT 5138jd4913p 4 1 comparisons comparison NOUN 5138jd4913p 4 2 between between ADP 5138jd4913p 4 3 experimental experimental ADJ 5138jd4913p 4 4 trans trans NOUN 5138jd4913p 4 5 - - NOUN 5138jd4913p 4 6 glycoside glycoside ADJ 5138jd4913p 4 7 j j NOUN 5138jd4913p 4 8 - - PUNCT 5138jd4913p 4 9 couplings coupling NOUN 5138jd4913p 4 10 and and CCONJ 5138jd4913p 4 11 calculated calculate VERB 5138jd4913p 4 12 ensemble ensemble ADJ 5138jd4913p 4 13 - - PUNCT 5138jd4913p 4 14 averaged average VERB 5138jd4913p 4 15 j j NOUN 5138jd4913p 4 16 - - PUNCT 5138jd4913p 4 17 couplings coupling NOUN 5138jd4913p 4 18 were be AUX 5138jd4913p 4 19 made make VERB 5138jd4913p 4 20 for for ADP 5138jd4913p 4 21 these these DET 5138jd4913p 4 22 five five NUM 5138jd4913p 4 23 disaccharides disaccharide NOUN 5138jd4913p 4 24 . . PUNCT 5138jd4913p 5 1 this this DET 5138jd4913p 5 2 comparison comparison NOUN 5138jd4913p 5 3 shows show VERB 5138jd4913p 5 4 that that SCONJ 5138jd4913p 5 5 the the DET 5138jd4913p 5 6 amber amber PROPN 5138jd4913p 5 7 force force PROPN 5138jd4913p 5 8 field field PROPN 5138jd4913p 5 9 may may AUX 5138jd4913p 5 10 be be AUX 5138jd4913p 5 11 more more ADV 5138jd4913p 5 12 reliable reliable ADJ 5138jd4913p 5 13 than than ADP 5138jd4913p 5 14 the the DET 5138jd4913p 5 15 charmm charmm PROPN 5138jd4913p 5 16 force force PROPN 5138jd4913p 5 17 field field PROPN 5138jd4913p 5 18 . . PUNCT 5138jd4913p 6 1 similar similar ADJ 5138jd4913p 6 2 conformational conformational ADJ 5138jd4913p 6 3 studies study NOUN 5138jd4913p 6 4 on on ADP 5138jd4913p 6 5 three three NUM 5138jd4913p 6 6 disaccharides disaccharide NOUN 5138jd4913p 6 7 containing contain VERB 5138jd4913p 6 8 ìøåáalpha ìøåáalpha NOUN 5138jd4913p 6 9 / / SYM 5138jd4913p 6 10 beta beta NOUN 5138jd4913p 6 11 ( ( PUNCT 5138jd4913p 6 12 1->2 1->2 NUM 5138jd4913p 6 13 ) ) PUNCT 5138jd4913p 6 14 o o VERB 5138jd4913p 6 15 - - ADJ 5138jd4913p 6 16 glycosidic glycosidic ADJ 5138jd4913p 6 17 linkages linkage NOUN 5138jd4913p 6 18 were be AUX 5138jd4913p 6 19 also also ADV 5138jd4913p 6 20 performed perform VERB 5138jd4913p 6 21 . . PUNCT 5138jd4913p 7 1 amide amide PROPN 5138jd4913p 7 2 cis cis PROPN 5138jd4913p 7 3 - - PUNCT 5138jd4913p 7 4 trans trans PROPN 5138jd4913p 7 5 isomerization isomerization NOUN 5138jd4913p 7 6 ( ( PUNCT 5138jd4913p 7 7 cti cti PROPN 5138jd4913p 7 8 ) ) PUNCT 5138jd4913p 7 9 in in ADP 5138jd4913p 7 10 methyl methyl NOUN 5138jd4913p 7 11 2 2 NUM 5138jd4913p 7 12 - - PUNCT 5138jd4913p 7 13 deoxy-2 deoxy-2 NOUN 5138jd4913p 7 14 - - PUNCT 5138jd4913p 7 15 acylamido acylamido NOUN 5138jd4913p 7 16 - - PUNCT 5138jd4913p 7 17 d d NOUN 5138jd4913p 7 18 - - NOUN 5138jd4913p 7 19 glucopyranosides glucopyranoside NOUN 5138jd4913p 7 20 was be AUX 5138jd4913p 7 21 investigated investigate VERB 5138jd4913p 7 22 by by ADP 5138jd4913p 7 23 1h 1h NOUN 5138jd4913p 7 24 and and CCONJ 5138jd4913p 7 25 13c 13c NOUN 5138jd4913p 7 26 nmr nmr NOUN 5138jd4913p 7 27 spectroscopy spectroscopy NOUN 5138jd4913p 7 28 . . PUNCT 5138jd4913p 8 1 singly singly ADV 5138jd4913p 8 2 13c 13c NUM 5138jd4913p 8 3 - - PUNCT 5138jd4913p 8 4 labeled label VERB 5138jd4913p 8 5 methyl methyl NOUN 5138jd4913p 8 6 2 2 NUM 5138jd4913p 8 7 - - PUNCT 5138jd4913p 8 8 deoxy-2 deoxy-2 NUM 5138jd4913p 8 9 - - PUNCT 5138jd4913p 8 10 formamido formamido ADJ 5138jd4913p 8 11 - - PUNCT 5138jd4913p 8 12 d d NOUN 5138jd4913p 8 13 - - PUNCT 5138jd4913p 8 14 glucopyranoside glucopyranoside NOUN 5138jd4913p 8 15 ( ( PUNCT 5138jd4913p 8 16 glcnfm glcnfm PROPN 5138jd4913p 8 17 ) ) PUNCT 5138jd4913p 8 18 anomers anomer NOUN 5138jd4913p 8 19 provided provide VERB 5138jd4913p 8 20 standard standard ADJ 5138jd4913p 8 21 1h 1h NOUN 5138jd4913p 8 22 and and CCONJ 5138jd4913p 8 23 13c 13c NOUN 5138jd4913p 8 24 chemical chemical NOUN 5138jd4913p 8 25 shifts shift NOUN 5138jd4913p 8 26 , , PUNCT 5138jd4913p 8 27 and and CCONJ 5138jd4913p 8 28 1h-1h 1h-1h NUM 5138jd4913p 8 29 and and CCONJ 5138jd4913p 8 30 13c-13c 13c-13c NOUN 5138jd4913p 8 31 spin spin NOUN 5138jd4913p 8 32 - - PUNCT 5138jd4913p 8 33 coupling couple VERB 5138jd4913p 8 34 constants constant NOUN 5138jd4913p 8 35 , , PUNCT 5138jd4913p 8 36 for for ADP 5138jd4913p 8 37 cis cis NOUN 5138jd4913p 8 38 and and CCONJ 5138jd4913p 8 39 trans trans NOUN 5138jd4913p 8 40 amides amide NOUN 5138jd4913p 8 41 that that PRON 5138jd4913p 8 42 are be AUX 5138jd4913p 8 43 detected detect VERB 5138jd4913p 8 44 readily readily ADV 5138jd4913p 8 45 in in ADP 5138jd4913p 8 46 aqueous aqueous ADJ 5138jd4913p 8 47 solution solution NOUN 5138jd4913p 8 48 . . PUNCT 5138jd4913p 9 1 equipped equip VERB 5138jd4913p 9 2 with with ADP 5138jd4913p 9 3 this this DET 5138jd4913p 9 4 information information NOUN 5138jd4913p 9 5 , , PUNCT 5138jd4913p 9 6 doubly doubly ADV 5138jd4913p 9 7 13c 13c NUM 5138jd4913p 9 8 - - PUNCT 5138jd4913p 9 9 labeled label VERB 5138jd4913p 9 10 methyl methyl NOUN 5138jd4913p 9 11 2 2 NUM 5138jd4913p 9 12 - - PUNCT 5138jd4913p 9 13 deoxy-2 deoxy-2 NUM 5138jd4913p 9 14 - - PUNCT 5138jd4913p 9 15 acetamido acetamido NOUN 5138jd4913p 9 16 - - PUNCT 5138jd4913p 9 17 d d NOUN 5138jd4913p 9 18 - - PUNCT 5138jd4913p 9 19 glucopyranoside glucopyranoside NOUN 5138jd4913p 9 20 ( ( PUNCT 5138jd4913p 9 21 glcnac glcnac ADJ 5138jd4913p 9 22 ) ) PUNCT 5138jd4913p 9 23 anomers anomer NOUN 5138jd4913p 9 24 were be AUX 5138jd4913p 9 25 investigated investigate VERB 5138jd4913p 9 26 , , PUNCT 5138jd4913p 9 27 leading lead VERB 5138jd4913p 9 28 to to ADP 5138jd4913p 9 29 the the DET 5138jd4913p 9 30 detection detection NOUN 5138jd4913p 9 31 and and CCONJ 5138jd4913p 9 32 quantification quantification NOUN 5138jd4913p 9 33 of of ADP 5138jd4913p 9 34 cis cis NOUN 5138jd4913p 9 35 and and CCONJ 5138jd4913p 9 36 trans trans NOUN 5138jd4913p 9 37 amides amide VERB 5138jd4913p 9 38 in in ADP 5138jd4913p 9 39 this this DET 5138jd4913p 9 40 biologically biologically ADV 5138jd4913p 9 41 important important ADJ 5138jd4913p 9 42 aminosugar aminosugar NOUN 5138jd4913p 9 43 . . PUNCT 5138jd4913p 10 1 eight eight NUM 5138jd4913p 10 2 new new ADJ 5138jd4913p 10 3 karplus karplus ADJ 5138jd4913p 10 4 relationships relationship NOUN 5138jd4913p 10 5 have have AUX 5138jd4913p 10 6 been be AUX 5138jd4913p 10 7 determined determine VERB 5138jd4913p 10 8 for for ADP 5138jd4913p 10 9 use use NOUN 5138jd4913p 10 10 in in ADP 5138jd4913p 10 11 conformational conformational ADJ 5138jd4913p 10 12 studies study NOUN 5138jd4913p 10 13 of of ADP 5138jd4913p 10 14 saccharide saccharide ADJ 5138jd4913p 10 15 n n PROPN 5138jd4913p 10 16 - - PUNCT 5138jd4913p 10 17 acetyl acetyl NOUN 5138jd4913p 10 18 side side NOUN 5138jd4913p 10 19 - - PUNCT 5138jd4913p 10 20 chains chain NOUN 5138jd4913p 10 21 in in ADP 5138jd4913p 10 22 solution solution NOUN 5138jd4913p 10 23 by by ADP 5138jd4913p 10 24 nmr nmr NOUN 5138jd4913p 10 25 spectroscopy spectroscopy NOUN 5138jd4913p 10 26 . . PUNCT 5138jd4913p 11 1 six six NUM 5138jd4913p 11 2 j j NOUN 5138jd4913p 11 3 - - PUNCT 5138jd4913p 11 4 couplings coupling NOUN 5138jd4913p 11 5 sensitive sensitive ADJ 5138jd4913p 11 6 to to ADP 5138jd4913p 11 7 the the DET 5138jd4913p 11 8 c2 c2 PROPN 5138jd4913p 11 9 - - PUNCT 5138jd4913p 11 10 n2 n2 ADJ 5138jd4913p 11 11 torsion torsion NOUN 5138jd4913p 11 12 angle angle NOUN 5138jd4913p 11 13 were be AUX 5138jd4913p 11 14 parametrized parametrize VERB 5138jd4913p 11 15 : : PUNCT 5138jd4913p 11 16 3jh2,nh 3jh2,nh NUM 5138jd4913p 11 17 , , PUNCT 5138jd4913p 11 18 3jh2,co 3jh2,co NUM 5138jd4913p 11 19 , , PUNCT 5138jd4913p 11 20 3jc1,nh 3jc1,nh PROPN 5138jd4913p 11 21 , , PUNCT 5138jd4913p 11 22 3jc3,nh 3jc3,nh PROPN 5138jd4913p 11 23 , , PUNCT 5138jd4913p 11 24 3jc1,co 3jc1,co NUM 5138jd4913p 11 25 and and CCONJ 5138jd4913p 11 26 3jc3,co 3jc3,co PROPN 5138jd4913p 11 27 . . PUNCT 5138jd4913p 12 1 two two NUM 5138jd4913p 12 2 j j NOUN 5138jd4913p 12 3 - - PUNCT 5138jd4913p 12 4 couplings coupling NOUN 5138jd4913p 12 5 sensitive sensitive ADJ 5138jd4913p 12 6 to to ADP 5138jd4913p 12 7 amide amide PROPN 5138jd4913p 12 8 bond bond NOUN 5138jd4913p 12 9 configuration configuration NOUN 5138jd4913p 12 10 ( ( PUNCT 5138jd4913p 12 11 cis cis PROPN 5138jd4913p 12 12 and and CCONJ 5138jd4913p 12 13 trans trans PROPN 5138jd4913p 12 14 amide amide PROPN 5138jd4913p 12 15 ) ) PUNCT 5138jd4913p 12 16 were be AUX 5138jd4913p 12 17 also also ADV 5138jd4913p 12 18 investigated investigate VERB 5138jd4913p 12 19 , , PUNCT 5138jd4913p 12 20 namely namely ADV 5138jd4913p 12 21 , , PUNCT 5138jd4913p 12 22 3jnh 3jnh NUM 5138jd4913p 12 23 , , PUNCT 5138jd4913p 12 24 ch3 ch3 NOUN 5138jd4913p 12 25 and and CCONJ 5138jd4913p 12 26 3jc2,ch3 3jc2,ch3 NUM 5138jd4913p 12 27 . . PUNCT 5138jd4913p 13 1 in in ADP 5138jd4913p 13 2 relevant relevant ADJ 5138jd4913p 13 3 cases case NOUN 5138jd4913p 13 4 , , PUNCT 5138jd4913p 13 5 comparisons comparison NOUN 5138jd4913p 13 6 were be AUX 5138jd4913p 13 7 made make VERB 5138jd4913p 13 8 to to ADP 5138jd4913p 13 9 analogous analogous ADJ 5138jd4913p 13 10 coupling coupling NOUN 5138jd4913p 13 11 pathways pathway NOUN 5138jd4913p 13 12 found find VERB 5138jd4913p 13 13 in in ADP 5138jd4913p 13 14 proteins protein NOUN 5138jd4913p 13 15 to to PART 5138jd4913p 13 16 evaluate evaluate VERB 5138jd4913p 13 17 the the DET 5138jd4913p 13 18 effects effect NOUN 5138jd4913p 13 19 of of ADP 5138jd4913p 13 20 peptide peptide NOUN 5138jd4913p 13 21 vs vs ADP 5138jd4913p 13 22 saccharide saccharide NOUN 5138jd4913p 13 23 pathway pathway NOUN 5138jd4913p 13 24 structure structure NOUN 5138jd4913p 13 25 on on ADP 5138jd4913p 13 26 coupling coupling NOUN 5138jd4913p 13 27 magnitude magnitude NOUN 5138jd4913p 13 28 . . PUNCT 5138jd4913p 14 1 these these DET 5138jd4913p 14 2 new new ADJ 5138jd4913p 14 3 parametrizations parametrization NOUN 5138jd4913p 14 4 will will AUX 5138jd4913p 14 5 enable enable VERB 5138jd4913p 14 6 multiple multiple ADJ 5138jd4913p 14 7 , , PUNCT 5138jd4913p 14 8 redundant redundant ADJ 5138jd4913p 14 9 j j NOUN 5138jd4913p 14 10 - - PUNCT 5138jd4913p 14 11 couplings coupling NOUN 5138jd4913p 14 12 within within ADP 5138jd4913p 14 13 the the DET 5138jd4913p 14 14 n n ADJ 5138jd4913p 14 15 - - PUNCT 5138jd4913p 14 16 acetyl acetyl NOUN 5138jd4913p 14 17 fragment fragment NOUN 5138jd4913p 14 18 of of ADP 5138jd4913p 14 19 saccharides saccharide NOUN 5138jd4913p 14 20 , , PUNCT 5138jd4913p 14 21 and and CCONJ 5138jd4913p 14 22 related related ADJ 5138jd4913p 14 23 structures structure NOUN 5138jd4913p 14 24 , , PUNCT 5138jd4913p 14 25 to to PART 5138jd4913p 14 26 be be AUX 5138jd4913p 14 27 used use VERB 5138jd4913p 14 28 for for ADP 5138jd4913p 14 29 more more ADV 5138jd4913p 14 30 confident confident ADJ 5138jd4913p 14 31 assignments assignment NOUN 5138jd4913p 14 32 of of ADP 5138jd4913p 14 33 side side NOUN 5138jd4913p 14 34 - - PUNCT 5138jd4913p 14 35 chain chain NOUN 5138jd4913p 14 36 conformation conformation NOUN 5138jd4913p 14 37 in in ADP 5138jd4913p 14 38 biologically biologically ADV 5138jd4913p 14 39 important important ADJ 5138jd4913p 14 40 saccharides saccharide NOUN 5138jd4913p 14 41 , , PUNCT 5138jd4913p 14 42 especially especially ADV 5138jd4913p 14 43 those those PRON 5138jd4913p 14 44 where where SCONJ 5138jd4913p 14 45 this this DET 5138jd4913p 14 46 structural structural ADJ 5138jd4913p 14 47 element element NOUN 5138jd4913p 14 48 may may AUX 5138jd4913p 14 49 play play VERB 5138jd4913p 14 50 a a DET 5138jd4913p 14 51 role role NOUN 5138jd4913p 14 52 in in ADP 5138jd4913p 14 53 molecular molecular ADJ 5138jd4913p 14 54 recognition recognition NOUN 5138jd4913p 14 55 or or CCONJ 5138jd4913p 14 56 other other ADJ 5138jd4913p 14 57 biological biological ADJ 5138jd4913p 14 58 processes process NOUN 5138jd4913p 14 59 . . PUNCT 5138jd4913p 15 1 lastly lastly ADV 5138jd4913p 15 2 , , PUNCT 5138jd4913p 15 3 an an DET 5138jd4913p 15 4 x x ADJ 5138jd4913p 15 5 - - NOUN 5138jd4913p 15 6 ray ray NOUN 5138jd4913p 15 7 crystal crystal PROPN 5138jd4913p 15 8 structure structure NOUN 5138jd4913p 15 9 of of ADP 5138jd4913p 15 10 methyl methyl PROPN 5138jd4913p 15 11 beta beta NOUN 5138jd4913p 15 12 - - PUNCT 5138jd4913p 15 13 d d NOUN 5138jd4913p 15 14 - - NOUN 5138jd4913p 15 15 galactopyranosyl-(1->4)-alpha galactopyranosyl-(1->4)-alpha NOUN 5138jd4913p 15 16 - - PUNCT 5138jd4913p 15 17 d d NOUN 5138jd4913p 15 18 - - ADJ 5138jd4913p 15 19 mannopyranoside mannopyranoside ADJ 5138jd4913p 15 20 is be AUX 5138jd4913p 15 21 presented present VERB 5138jd4913p 15 22 with with ADP 5138jd4913p 15 23 a a DET 5138jd4913p 15 24 full full ADJ 5138jd4913p 15 25 structural structural ADJ 5138jd4913p 15 26 analysis analysis NOUN 5138jd4913p 15 27 , , PUNCT 5138jd4913p 15 28 including include VERB 5138jd4913p 15 29 discussion discussion NOUN 5138jd4913p 15 30 of of ADP 5138jd4913p 15 31 ring ring NOUN 5138jd4913p 15 32 - - PUNCT 5138jd4913p 15 33 puckering pucker VERB 5138jd4913p 15 34 behavior behavior NOUN 5138jd4913p 15 35 and and CCONJ 5138jd4913p 15 36 comparison comparison NOUN 5138jd4913p 15 37 with with ADP 5138jd4913p 15 38 other other ADJ 5138jd4913p 15 39 structurally structurally ADV 5138jd4913p 15 40 related relate VERB 5138jd4913p 15 41 sugars sugar NOUN 5138jd4913p 15 42 . . PUNCT