id	sid	tid	token	lemma	pos
zk51vd70k6m	1	1	the	the	DET
zk51vd70k6m	1	2	molecular	molecular	ADJ
zk51vd70k6m	1	3	structures	structure	NOUN
zk51vd70k6m	1	4	of	of	ADP
zk51vd70k6m	1	5	biomolecules	biomolecule	NOUN
zk51vd70k6m	1	6	are	be	AUX
zk51vd70k6m	1	7	highly	highly	ADV
zk51vd70k6m	1	8	associated	associate	VERB
zk51vd70k6m	1	9	with	with	ADP
zk51vd70k6m	1	10	their	their	PRON
zk51vd70k6m	1	11	cellular	cellular	ADJ
zk51vd70k6m	1	12	function	function	NOUN
zk51vd70k6m	1	13	.	.	PUNCT
zk51vd70k6m	2	1	the	the	DET
zk51vd70k6m	2	2	determination	determination	NOUN
zk51vd70k6m	2	3	of	of	ADP
zk51vd70k6m	2	4	accurate	accurate	ADJ
zk51vd70k6m	2	5	structures	structure	NOUN
zk51vd70k6m	2	6	is	be	AUX
zk51vd70k6m	2	7	imperative	imperative	ADJ
zk51vd70k6m	2	8	to	to	ADP
zk51vd70k6m	2	9	understanding	understand	VERB
zk51vd70k6m	2	10	how	how	SCONJ
zk51vd70k6m	2	11	these	these	DET
zk51vd70k6m	2	12	molecules	molecule	NOUN
zk51vd70k6m	2	13	operate	operate	VERB
zk51vd70k6m	2	14	.	.	PUNCT
zk51vd70k6m	3	1	however	however	ADV
zk51vd70k6m	3	2	,	,	PUNCT
zk51vd70k6m	3	3	methods	method	NOUN
zk51vd70k6m	3	4	to	to	PART
zk51vd70k6m	3	5	assign	assign	VERB
zk51vd70k6m	3	6	structures	structure	NOUN
zk51vd70k6m	3	7	in	in	ADP
zk51vd70k6m	3	8	solution	solution	NOUN
zk51vd70k6m	3	9	have	have	AUX
zk51vd70k6m	3	10	remained	remain	VERB
zk51vd70k6m	3	11	challenging	challenge	VERB
zk51vd70k6m	3	12	for	for	ADP
zk51vd70k6m	3	13	flexible	flexible	ADJ
zk51vd70k6m	3	14	molecules	molecule	NOUN
zk51vd70k6m	3	15	such	such	ADJ
zk51vd70k6m	3	16	as	as	ADP
zk51vd70k6m	3	17	carbohydrates	carbohydrate	NOUN
zk51vd70k6m	3	18	.	.	PUNCT
zk51vd70k6m	4	1	this	this	DET
zk51vd70k6m	4	2	problem	problem	NOUN
zk51vd70k6m	4	3	has	have	AUX
zk51vd70k6m	4	4	led	lead	VERB
zk51vd70k6m	4	5	to	to	ADP
zk51vd70k6m	4	6	a	a	DET
zk51vd70k6m	4	7	heavy	heavy	ADJ
zk51vd70k6m	4	8	reliance	reliance	NOUN
zk51vd70k6m	4	9	on	on	ADP
zk51vd70k6m	4	10	theoretical	theoretical	ADJ
zk51vd70k6m	4	11	calculations	calculation	NOUN
zk51vd70k6m	4	12	to	to	PART
zk51vd70k6m	4	13	produce	produce	VERB
zk51vd70k6m	4	14	models	model	NOUN
zk51vd70k6m	4	15	of	of	ADP
zk51vd70k6m	4	16	solution	solution	NOUN
zk51vd70k6m	4	17	conformations	conformation	NOUN
zk51vd70k6m	4	18	with	with	ADP
zk51vd70k6m	4	19	limited	limited	ADJ
zk51vd70k6m	4	20	or	or	CCONJ
zk51vd70k6m	4	21	no	no	DET
zk51vd70k6m	4	22	experimental	experimental	ADJ
zk51vd70k6m	4	23	validation	validation	NOUN
zk51vd70k6m	4	24	.	.	PUNCT
zk51vd70k6m	5	1	this	this	DET
zk51vd70k6m	5	2	dissertation	dissertation	NOUN
zk51vd70k6m	5	3	details	detail	VERB
zk51vd70k6m	5	4	the	the	DET
zk51vd70k6m	5	5	development	development	NOUN
zk51vd70k6m	5	6	and	and	CCONJ
zk51vd70k6m	5	7	validation	validation	NOUN
zk51vd70k6m	5	8	of	of	ADP
zk51vd70k6m	5	9	a	a	DET
zk51vd70k6m	5	10	novel	novel	ADJ
zk51vd70k6m	5	11	method	method	NOUN
zk51vd70k6m	5	12	,	,	PUNCT
zk51vd70k6m	5	13	ma'at	ma'at	NOUN
zk51vd70k6m	5	14	analysis	analysis	NOUN
zk51vd70k6m	5	15	,	,	PUNCT
zk51vd70k6m	5	16	to	to	PART
zk51vd70k6m	5	17	model	model	VERB
zk51vd70k6m	5	18	conformational	conformational	ADJ
zk51vd70k6m	5	19	behavior	behavior	NOUN
zk51vd70k6m	5	20	in	in	ADP
zk51vd70k6m	5	21	solution	solution	NOUN
zk51vd70k6m	5	22	using	use	VERB
zk51vd70k6m	5	23	a	a	DET
zk51vd70k6m	5	24	combination	combination	NOUN
zk51vd70k6m	5	25	of	of	ADP
zk51vd70k6m	5	26	nmr	nmr	ADJ
zk51vd70k6m	5	27	spin	spin	NOUN
zk51vd70k6m	5	28	-	-	PUNCT
zk51vd70k6m	5	29	couplings	coupling	NOUN
zk51vd70k6m	5	30	and	and	CCONJ
zk51vd70k6m	5	31	density	density	NOUN
zk51vd70k6m	5	32	functional	functional	ADJ
zk51vd70k6m	5	33	theory	theory	NOUN
zk51vd70k6m	5	34	(	(	PUNCT
zk51vd70k6m	5	35	dft	dft	NOUN
zk51vd70k6m	5	36	)	)	PUNCT
zk51vd70k6m	5	37	.	.	PUNCT
zk51vd70k6m	6	1	the	the	DET
zk51vd70k6m	6	2	work	work	NOUN
zk51vd70k6m	6	3	presented	present	VERB
zk51vd70k6m	6	4	here	here	ADV
zk51vd70k6m	6	5	is	be	AUX
zk51vd70k6m	6	6	separated	separate	VERB
zk51vd70k6m	6	7	into	into	ADP
zk51vd70k6m	6	8	three	three	NUM
zk51vd70k6m	6	9	distinct	distinct	ADJ
zk51vd70k6m	6	10	areas	area	NOUN
zk51vd70k6m	6	11	.	.	PUNCT
zk51vd70k6m	7	1	first	first	ADV
zk51vd70k6m	7	2	,	,	PUNCT
zk51vd70k6m	7	3	chapter	chapter	NOUN
zk51vd70k6m	7	4	2	2	NUM
zk51vd70k6m	7	5	details	detail	NOUN
zk51vd70k6m	7	6	the	the	DET
zk51vd70k6m	7	7	development	development	NOUN
zk51vd70k6m	7	8	of	of	ADP
zk51vd70k6m	7	9	the	the	DET
zk51vd70k6m	7	10	ma'at	ma'at	NOUN
zk51vd70k6m	7	11	method	method	NOUN
zk51vd70k6m	7	12	and	and	CCONJ
zk51vd70k6m	7	13	its	its	PRON
zk51vd70k6m	7	14	encoding	encoding	NOUN
zk51vd70k6m	7	15	into	into	ADP
zk51vd70k6m	7	16	a	a	DET
zk51vd70k6m	7	17	user	user	NOUN
zk51vd70k6m	7	18	-	-	PUNCT
zk51vd70k6m	7	19	friendly	friendly	ADJ
zk51vd70k6m	7	20	web	web	NOUN
zk51vd70k6m	7	21	-	-	PUNCT
zk51vd70k6m	7	22	based	base	VERB
zk51vd70k6m	7	23	application	application	NOUN
zk51vd70k6m	7	24	.	.	PUNCT
zk51vd70k6m	8	1	ma'at	ma'at	NOUN
zk51vd70k6m	8	2	utilizes	utilize	VERB
zk51vd70k6m	8	3	a	a	DET
zk51vd70k6m	8	4	set	set	NOUN
zk51vd70k6m	8	5	of	of	ADP
zk51vd70k6m	8	6	parameterized	parameterize	VERB
zk51vd70k6m	8	7	equations	equation	NOUN
zk51vd70k6m	8	8	that	that	PRON
zk51vd70k6m	8	9	quantify	quantify	VERB
zk51vd70k6m	8	10	the	the	DET
zk51vd70k6m	8	11	relationship	relationship	NOUN
zk51vd70k6m	8	12	between	between	ADP
zk51vd70k6m	8	13	torsional	torsional	ADJ
zk51vd70k6m	8	14	angles	angle	NOUN
zk51vd70k6m	8	15	or	or	CCONJ
zk51vd70k6m	8	16	conformations	conformation	NOUN
zk51vd70k6m	8	17	with	with	ADP
zk51vd70k6m	8	18	nmr	nmr	ADJ
zk51vd70k6m	8	19	spin	spin	NOUN
zk51vd70k6m	8	20	-	-	PUNCT
zk51vd70k6m	8	21	spin	spin	NOUN
zk51vd70k6m	8	22	coupling	coupling	NOUN
zk51vd70k6m	8	23	constants	constant	NOUN
zk51vd70k6m	8	24	(	(	PUNCT
zk51vd70k6m	8	25	j	j	NOUN
zk51vd70k6m	8	26	-	-	PUNCT
zk51vd70k6m	8	27	couplings	coupling	NOUN
zk51vd70k6m	8	28	)	)	PUNCT
zk51vd70k6m	8	29	to	to	PART
zk51vd70k6m	8	30	produce	produce	VERB
zk51vd70k6m	8	31	population	population	NOUN
zk51vd70k6m	8	32	distributions	distribution	NOUN
zk51vd70k6m	8	33	.	.	PUNCT
zk51vd70k6m	9	1	the	the	DET
zk51vd70k6m	9	2	theory	theory	NOUN
zk51vd70k6m	9	3	and	and	CCONJ
zk51vd70k6m	9	4	mathematical	mathematical	ADJ
zk51vd70k6m	9	5	proofs	proof	NOUN
zk51vd70k6m	9	6	underpinning	underpin	VERB
zk51vd70k6m	9	7	the	the	DET
zk51vd70k6m	9	8	method	method	NOUN
zk51vd70k6m	9	9	are	be	AUX
zk51vd70k6m	9	10	detailed	detail	VERB
zk51vd70k6m	9	11	in	in	ADP
zk51vd70k6m	9	12	chapter	chapter	NOUN
zk51vd70k6m	9	13	2	2	NUM
zk51vd70k6m	9	14	,	,	PUNCT
zk51vd70k6m	9	15	along	along	ADP
zk51vd70k6m	9	16	with	with	ADP
zk51vd70k6m	9	17	a	a	DET
zk51vd70k6m	9	18	description	description	NOUN
zk51vd70k6m	9	19	of	of	ADP
zk51vd70k6m	9	20	the	the	DET
zk51vd70k6m	9	21	testing	testing	NOUN
zk51vd70k6m	9	22	,	,	PUNCT
zk51vd70k6m	9	23	validation	validation	NOUN
zk51vd70k6m	9	24	,	,	PUNCT
zk51vd70k6m	9	25	and	and	CCONJ
zk51vd70k6m	9	26	limitations	limitation	NOUN
zk51vd70k6m	9	27	of	of	ADP
zk51vd70k6m	9	28	the	the	DET
zk51vd70k6m	9	29	method	method	NOUN
zk51vd70k6m	9	30	.	.	PUNCT
zk51vd70k6m	10	1	conformational	conformational	ADJ
zk51vd70k6m	10	2	studies	study	NOUN
zk51vd70k6m	10	3	utilizing	utilize	VERB
zk51vd70k6m	10	4	ma'at	ma'at	NOUN
zk51vd70k6m	10	5	are	be	AUX
zk51vd70k6m	10	6	presented	present	VERB
zk51vd70k6m	10	7	in	in	ADP
zk51vd70k6m	10	8	chapters	chapter	NOUN
zk51vd70k6m	10	9	3–7	3–7	NUM
zk51vd70k6m	10	10	.	.	PUNCT
zk51vd70k6m	11	1	these	these	DET
zk51vd70k6m	11	2	studies	study	NOUN
zk51vd70k6m	11	3	developed	develop	VERB
zk51vd70k6m	11	4	new	new	ADJ
zk51vd70k6m	11	5	equations	equation	NOUN
zk51vd70k6m	11	6	that	that	PRON
zk51vd70k6m	11	7	describe	describe	VERB
zk51vd70k6m	11	8	the	the	DET
zk51vd70k6m	11	9	karplus	karplus	NOUN
zk51vd70k6m	11	10	-	-	PUNCT
zk51vd70k6m	11	11	like	like	ADJ
zk51vd70k6m	11	12	relationships	relationship	NOUN
zk51vd70k6m	11	13	between	between	ADP
zk51vd70k6m	11	14	molecular	molecular	ADJ
zk51vd70k6m	11	15	conformation	conformation	NOUN
zk51vd70k6m	11	16	and	and	CCONJ
zk51vd70k6m	11	17	coupling	coupling	NOUN
zk51vd70k6m	11	18	magnitudes	magnitude	NOUN
zk51vd70k6m	11	19	as	as	SCONJ
zk51vd70k6m	11	20	determined	determine	VERB
zk51vd70k6m	11	21	by	by	ADP
zk51vd70k6m	11	22	dft	dft	NOUN
zk51vd70k6m	11	23	.	.	PUNCT
zk51vd70k6m	12	1	also	also	ADV
zk51vd70k6m	12	2	discussed	discuss	VERB
zk51vd70k6m	12	3	are	be	AUX
zk51vd70k6m	12	4	the	the	DET
zk51vd70k6m	12	5	methods	method	NOUN
zk51vd70k6m	12	6	to	to	PART
zk51vd70k6m	12	7	obtain	obtain	VERB
zk51vd70k6m	12	8	experimental	experimental	ADJ
zk51vd70k6m	12	9	j	j	NOUN
zk51vd70k6m	12	10	-	-	PUNCT
zk51vd70k6m	12	11	couplings	coupling	NOUN
zk51vd70k6m	12	12	.	.	PUNCT
zk51vd70k6m	13	1	the	the	DET
zk51vd70k6m	13	2	conformational	conformational	ADJ
zk51vd70k6m	13	3	models	model	NOUN
zk51vd70k6m	13	4	produced	produce	VERB
zk51vd70k6m	13	5	by	by	ADP
zk51vd70k6m	13	6	ma'at	ma'at	NOUN
zk51vd70k6m	13	7	analysis	analysis	NOUN
zk51vd70k6m	13	8	are	be	AUX
zk51vd70k6m	13	9	then	then	ADV
zk51vd70k6m	13	10	compared	compare	VERB
zk51vd70k6m	13	11	to	to	ADP
zk51vd70k6m	13	12	those	those	PRON
zk51vd70k6m	13	13	obtained	obtain	VERB
zk51vd70k6m	13	14	from	from	ADP
zk51vd70k6m	13	15	molecular	molecular	ADJ
zk51vd70k6m	13	16	dynamic	dynamic	ADJ
zk51vd70k6m	13	17	(	(	PUNCT
zk51vd70k6m	13	18	md	md	PROPN
zk51vd70k6m	13	19	)	)	PUNCT
zk51vd70k6m	13	20	simulations	simulation	NOUN
zk51vd70k6m	13	21	and	and	CCONJ
zk51vd70k6m	13	22	x	x	NOUN
zk51vd70k6m	13	23	-	-	NOUN
zk51vd70k6m	13	24	ray	ray	NOUN
zk51vd70k6m	13	25	crystal	crystal	NOUN
zk51vd70k6m	13	26	structures	structure	NOUN
zk51vd70k6m	13	27	.	.	PUNCT
zk51vd70k6m	14	1	finally	finally	ADV
zk51vd70k6m	14	2	,	,	PUNCT
zk51vd70k6m	14	3	chapters	chapter	NOUN
zk51vd70k6m	14	4	8–9	8–9	NUM
zk51vd70k6m	14	5	describe	describe	VERB
zk51vd70k6m	14	6	studies	study	NOUN
zk51vd70k6m	14	7	undertaken	undertake	VERB
zk51vd70k6m	14	8	to	to	PART
zk51vd70k6m	14	9	validate	validate	VERB
zk51vd70k6m	14	10	the	the	DET
zk51vd70k6m	14	11	dft	dft	ADV
zk51vd70k6m	14	12	-	-	PUNCT
zk51vd70k6m	14	13	derived	derive	VERB
zk51vd70k6m	14	14	parameterized	parameterize	VERB
zk51vd70k6m	14	15	j	j	NOUN
zk51vd70k6m	14	16	-	-	PUNCT
zk51vd70k6m	14	17	coupling	coupling	NOUN
zk51vd70k6m	14	18	equations	equation	NOUN
zk51vd70k6m	14	19	used	use	VERB
zk51vd70k6m	14	20	ma'at	ma'at	NOUN
zk51vd70k6m	14	21	analysis	analysis	NOUN
zk51vd70k6m	14	22	.	.	PUNCT
zk51vd70k6m	15	1	chapter	chapter	NOUN
zk51vd70k6m	15	2	8	8	NUM
zk51vd70k6m	15	3	describes	describe	VERB
zk51vd70k6m	15	4	studies	study	NOUN
zk51vd70k6m	15	5	that	that	SCONJ
zk51vd70k6m	15	6	utilized	utilize	VERB
zk51vd70k6m	15	7	solid	solid	ADJ
zk51vd70k6m	15	8	state	state	NOUN
zk51vd70k6m	15	9	13c	13c	NOUN
zk51vd70k6m	16	1	nmr	nmr	NOUN
zk51vd70k6m	16	2	(	(	PUNCT
zk51vd70k6m	16	3	ssnmr	ssnmr	NOUN
zk51vd70k6m	16	4	)	)	PUNCT
zk51vd70k6m	16	5	to	to	PART
zk51vd70k6m	16	6	measure	measure	VERB
zk51vd70k6m	16	7	jcc	jcc	PROPN
zk51vd70k6m	16	8	spin	spin	NOUN
zk51vd70k6m	16	9	-	-	PUNCT
zk51vd70k6m	16	10	coupling	couple	VERB
zk51vd70k6m	16	11	constants	constant	NOUN
zk51vd70k6m	16	12	in	in	ADP
zk51vd70k6m	16	13	molecules	molecule	NOUN
zk51vd70k6m	16	14	having	have	VERB
zk51vd70k6m	16	15	essentially	essentially	ADV
zk51vd70k6m	16	16	fixed	fix	VERB
zk51vd70k6m	16	17	conformations	conformation	NOUN
zk51vd70k6m	16	18	.	.	PUNCT
zk51vd70k6m	17	1	in	in	ADP
zk51vd70k6m	17	2	these	these	DET
zk51vd70k6m	17	3	cases	case	NOUN
zk51vd70k6m	17	4	,	,	PUNCT
zk51vd70k6m	17	5	experimentally	experimentally	ADV
zk51vd70k6m	17	6	-	-	PUNCT
zk51vd70k6m	17	7	measured	measure	VERB
zk51vd70k6m	17	8	j	j	NOUN
zk51vd70k6m	17	9	-	-	PUNCT
zk51vd70k6m	17	10	couplings	coupling	NOUN
zk51vd70k6m	17	11	were	be	AUX
zk51vd70k6m	17	12	directly	directly	ADV
zk51vd70k6m	17	13	compared	compare	VERB
zk51vd70k6m	17	14	to	to	ADP
zk51vd70k6m	17	15	those	those	PRON
zk51vd70k6m	17	16	calculated	calculate	VERB
zk51vd70k6m	17	17	from	from	ADP
zk51vd70k6m	17	18	dft	dft	PROPN
zk51vd70k6m	17	19	.	.	PUNCT
zk51vd70k6m	18	1	finally	finally	ADV
zk51vd70k6m	18	2	,	,	PUNCT
zk51vd70k6m	18	3	chapter	chapter	NOUN
zk51vd70k6m	18	4	9	9	NUM
zk51vd70k6m	18	5	describes	describe	VERB
zk51vd70k6m	18	6	a	a	DET
zk51vd70k6m	18	7	computational	computational	ADJ
zk51vd70k6m	18	8	study	study	NOUN
zk51vd70k6m	18	9	on	on	ADP
zk51vd70k6m	18	10	the	the	DET
zk51vd70k6m	18	11	torsional	torsional	ADJ
zk51vd70k6m	18	12	dependence	dependence	NOUN
zk51vd70k6m	18	13	of	of	ADP
zk51vd70k6m	18	14	non	non	ADJ
zk51vd70k6m	18	15	-	-	ADJ
zk51vd70k6m	18	16	conventional	conventional	ADJ
zk51vd70k6m	18	17	coupling	coupling	NOUN
zk51vd70k6m	18	18	pathways	pathway	NOUN
zk51vd70k6m	18	19	for	for	ADP
zk51vd70k6m	18	20	o	o	ADJ
zk51vd70k6m	18	21	-	-	ADJ
zk51vd70k6m	18	22	glycosidic	glycosidic	ADJ
zk51vd70k6m	18	23	linkages	linkage	NOUN
zk51vd70k6m	18	24	.	.	PUNCT