Datasets:

gelnesr
/

RelaxDB

id stringlengths 2 11	dataset stringclasses 2 values	pdb stringlengths 23 42	protein_name stringlengths 3 49	uniprot_id stringlengths 1 10 ⌀	curation_source stringclasses 14 values	sequence stringlengths 46 367	label stringlengths 46 367	data_type stringclasses 6 values	n_fields float64 1 3 ⌀	field_strengths stringclasses 19 values	temp_K float64 273 310 ⌀	phosphate bool 1 class	R2/R1/NOE stringlengths 916 11.4k ⌀	R2/R1/NOE_err stringlengths 43 11.3k	doi_missing stringlengths 16 49 ⌀	quote_missing stringlengths 10 49 ⌀	assignments stringlengths 3 49 ⌀	id_key stringlengths 2 11
4267	relaxdb	relaxdb/af2_pdbs/4267.pdb	Neutrophil gelatinase-associated lipocalin	P80188	BMRB	MQDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGCQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKENFIRFSKSLGLPENHIVFPVPIDQCIDG	..vvvvvvApAppAAAApAAAAAAAAAAAAAAAAAAAAAAA^^xxvxvp..^^AAAAAxAAAAAAAAAAxAxAAAA^AA^xAAAxpAAvpxAAAAAAAAAApxAAAAAAAxAAAAAAAAAxAAAAxAAAAAAAAAA^AAAAAAA^A^AxAAAAAAAAAAAAApxAxAAApAp^xv^x^v	R1/R2/NOE	2	[500, 600, 750]	298	false	{'NOE': [None, None, 0.0, 0.024, 0.268, 0.29, 0.41, 0.437, 0.719, None, 0.788, None, None, 0.778, 0.84, 0.84, 0.817, None, 0.817, 0.837, 0.804, 0.816, 0.813, 0.86, 0.845, 0.859, 0.821, 0.861, 0.839, 0.876, 0.83, 0.844, 0.868, 0.808, 0.866, 0.855, 0.824, 0.863, 0.852, 0.864, 0.861, 0.775, 0.828, None, None, 0.492, None,...	{'NOE_err': [None, None, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, None, 0.05, None, None, 0.05, 0.05, 0.05, 0.05, None, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.059, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, None, None, 0.064, None, 0.054, None, None, None...	https://www.sciencedirect.com/science/article/...	"M0, Q1, Q49 and K50, no signal was identified...	null	4267
4390	relaxdb	relaxdb/af2_pdbs/4390.pdb	Eotaxin	P51671	BMRB	GPASVPTTCCFNLANRKIPLQRLESYRRITSGKCPQKAVIFKTKLAKDICADPKKKWVQDSMKYLDQKSPTPKP	.pvvvpvvvx.bbvxvvvpAvAAAAvAvxvbvbxpbbbAAAAAxvvAxAvbvpAvAvAvAvAAvvAxvvpvpvp	R1/R2/NOE	1	[500]	303	false	{'NOE': [None, None, 0.0, 0.0, 0.0, None, 0.0, 0.314, 0.442, None, None, 0.55, 0.65, 0.636, None, 0.48, 0.571, 0.619, None, 0.672, 0.633, 0.659, 0.674, 0.655, 0.673, 0.628, 0.676, 0.621, None, 0.549, 0.546, 0.65, 0.465, None, None, 0.577, 0.583, 0.279, 0.701, 0.718, 0.75, 0.681, 0.684, None, 0.488, 0.582, 0.686, None, ...	{'NOE_err': [None, None, 0.02, 0.02, 0.02, None, 0.02, 0.02, 0.02, None, None, 0.02, 0.02, 0.02, None, 0.02, 0.02, 0.02, None, 0.02, 0.02, 0.02, 0.02, 0.02, 0.02, 0.02, 0.02, 0.02, None, 0.02, 0.02, 0.02, 0.02, None, None, 0.02, 0.02, 0.02, 0.02, 0.02, 0.02, 0.02, 0.02, None, 0.02, 0.02, 0.02, None, 0.02, 0.02, 0.02, 0...	no missing peaks	null	4155	4390
4689	relaxdb	relaxdb/af2_pdbs/4689.pdb	Somatotropin	P01241	BMRB	FPTIPLSRLFDNAMLRAHRLHQLAFDTYQEFEEAYIPKEQKYSFLQNPQTSLCFSESIPTPSNREETQQKSNLELLRISLLLIQSWLEPVQFLRSVFANSLVYGASDSNVYDLLKDLEEGIQTLMGRLEDGSPRTGQIFKQTYSKFDTNSHNDDALLKNYGLLYCFRKDMDKVETFLRIVQCRSVEGSCGF	.pvvpvAAAAvAAAvAAvvv..v^Avxxx.vAAAbAp.vvbvvvvvvpvvvvv..bvvpApxx.............AvAAbvvvvb..pxvvv^AbvvAvvbvvAvvvv.vvAAvAAAvAvvvvvAvxvvvvpvvvvvvvvvvv..xxxvvvxvvvvvxxbvx......xvAvvAAAvAAAvAAAAvvvvv	R1/R2/NOE	1	[500]	305	false	{'NOE': [None, None, 0.0, 0.209, None, 0.634, 0.878, 0.865, 0.732, 0.757, 0.563, 0.745, 0.73, 0.744, 0.406, 0.948, 0.852, 0.647, 0.606, 0.31, None, None, 0.562, 0.665, 0.687, 0.625, None, None, None, None, 0.455, 0.794, 0.953, 0.714, 0.4, 0.707, None, None, 0.333, 0.392, 0.113, 0.52, 0.421, 0.44, 0.338, 0.441, 0.479, N...	{'NOE_err': [None, None, 0.02565, 0.01045, None, 0.0317, 0.0439, 0.04325, 0.0366, 0.03785, 0.02815, 0.03725, 0.0365, 0.0372, 0.0203, 0.0474, 0.0426, 0.03235, 0.0303, 0.0155, None, None, 0.0281, 0.03325, 0.03435, 0.03125, None, None, None, None, 0.02275, 0.0397, 0.04765, 0.0357, 0.02, 0.03535, None, None, 0.01665, 0.019...	https://www.sciencedirect.com/science/article/...	"The relatively low fraction of assigned backb...	null	4689
4762	relaxdb	relaxdb/af2_pdbs/4762.pdb	Nitrogen regulation protein (NtrC)	P41789	BMRB	MQRGIVWVVDDDSSIRWVLERALAGAGLTCTTFENGNEVLAALASKTPDVLLSDIRMPGMDGLALLKQIKQRHPMLPVIIMTAHSDLDAAVSAYQQGAFDYLPKPFDIDEAVALVERAISHYQE	..vvAAAAAAAAAAAAAAAA^AAAAAAAAAAAAA^^AAAAAAAAAAApA^AAAA.x.pAxxxA^^x.AAAAAApAApx^xA^A.^AA^AA^^...xx^bAx^p.pAAAAAxAAAAAAAAAAvvv	R1/R2/NOE	1	[750]	298	false	{'NOE': [None, None, 0.5, 0.63, 0.82, 0.89, 0.84, 0.86, 0.84, 0.86, 0.81, 0.83, 0.82, 0.87, 0.83, 0.8, 0.83, 0.81, 0.81, 0.83, 0.88, 0.84, 0.87, 0.82, 0.83, 0.81, 0.8, 0.81, 0.79, 0.8, 0.83, 0.8, 0.83, 0.77, 0.76, 0.82, 0.78, 0.81, 0.87, 0.83, 0.82, 0.82, 0.83, 0.8, 0.82, 0.75, 0.7, None, 0.84, 0.86, 0.85, 0.88, 0.77, ...	{'NOE_err': [None, None, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, 0.05, None, 0.05, 0.05, 0.05, 0...	https://pubmed.ncbi.nlm.nih.gov/11264542/	"Those residues could not be detected because ...	4527	4762
5154	relaxdb	relaxdb/af2_pdbs/5154.pdb	Metalloproteinase inhibitor 1	P01033	BMRB	CTCVPPHPQTAFCNSDLVIRAKFVGTPEVNQTTLYQRYEIKMTKMYKGFQALGDAADIRFVYTPAMESVCGYFHRSHNRSEEFLIAGKLQDGLLHITTCSFVAPWNSLSLAQRRGFTKTYTVGCEE	..v.ppApAAAxAAvxAAAAAxAAvvpA^AvAvAA^xAAxAAAAAAAAAvvvvxvvvvAAAAAp^x...^AA^AAvxvAAAAAAAAAxAAAAAAAAAAAAAAApAAAAAAxAxxAAAAAAAAvvvv	R1/R2/NOE	1	[500]	293	false	{'NOE': [None, None, 0.556, None, None, None, 0.667, None, 0.773, 0.752, 0.764, None, 0.782, 0.773, 0.644, None, 0.793, 0.778, 0.797, 0.78, 0.778, None, 0.731, 0.726, 0.646, 0.577, None, 0.717, 0.674, 0.698, 0.568, 0.653, 0.649, 0.708, 0.665, 0.752, None, 0.755, 0.742, None, 0.78, 0.738, 0.763, 0.75, 0.71, 0.779, 0.765...	{'NOE_err': [None, None, 0.024, None, None, None, 0.024, None, 0.024, 0.024, 0.024, None, 0.024, 0.024, 0.024, None, 0.024, 0.024, 0.024, 0.024, 0.024, None, 0.024, 0.024, 0.024, 0.024, None, 0.024, 0.024, 0.024, 0.024, 0.024, 0.024, 0.024, 0.024, 0.024, None, 0.024, 0.024, None, 0.024, 0.024, 0.024, 0.024, 0.024, 0.02...	https://link.springer.com/article/10.1023/A:10...	see section from 5154 citation on "Confirmatio...	4327	5154
5518	relaxdb	relaxdb/af2_pdbs/5518.pdb	Ovomucoid	P68436	BMRB	LAAVSVDCSEYPKPACTLEYRPLCGSDNKTYGNKCNFCNAVVESNGTLTLSHFGKC	.vvvvvAAA^ApApAAAAAAApAAAAAAAAAAAAAAAAAAAAAAAAAAAAA^AAAA	R1/R2/NOE	3	[500, 600, 750]	298	false	{'NOE': [None, 0.0, 0.0, 0.0, 0.46, 0.61, 0.7, 0.75, 0.8, 0.76, 0.81, None, 0.81, None, 0.83, 0.75, 0.82, 0.78, 0.8, 0.71, 0.75, None, 0.78, 0.77, 0.8, 0.85, 0.8, 0.77, 0.81, 0.8, 0.78, 0.71, 0.82, 0.66, 0.84, 0.79, 0.74, 0.72, 0.74, 0.82, 0.75, 0.83, 0.82, 0.71, 0.75, 0.7, 0.74, 0.75, 0.8, 0.75, 0.75, 0.77, 0.74, 0.8,...	{'NOE_err': [None, 0.04, 0.02, 0.05, 0.032, 0.043, 0.049, 0.052, 0.056, 0.053, 0.057, None, 0.056, None, 0.058, 0.052, 0.057, 0.055, 0.056, 0.05, 0.052, None, 0.055, 0.054, 0.056, 0.059, 0.056, 0.054, 0.057, 0.056, 0.055, 0.05, 0.057, 0.046, 0.058, 0.055, 0.052, 0.05, 0.052, 0.058, 0.053, 0.058, 0.057, 0.049, 0.052, 0....	no missing peaks	null	null	5518
5687	relaxdb	relaxdb/af2_pdbs/5687.pdb	Four helix bundle	x	BMRB	MYGKLNDLLEDLQEVLKNLHKNWHGGKDNLHDVDNHLQNVIEDIHDFMQGGGSGGKLQEMMKEFQQVLDELNNHLQGGKHTVHHIEQNIKEIFHHLEELVHR	.vbvAAAAAAAAAAAAA^AAAAA^vvAvAAAAAAAAAAAAAAAAAAAAAvvvAAAAAAAAAAAAAAAAAAAAAAAbvAAAAA^AA^AAAAAAAAAAAAAvvv	R1/R2/NOE	2	[500, 600]	298	false	{'NOE': [None, 0.39, 0.592, 0.638, 0.694, 0.72, 0.711, 0.795, 0.753, 0.793, 0.801, 0.824, 0.756, 0.74, 0.78, 0.818, 0.743, 0.764, 0.852, 0.825, 0.724, 0.664, 0.77, 0.681, 0.351, 0.627, 0.673, 0.627, 0.757, 0.711, 0.744, 0.744, 0.804, 0.867, 0.726, 0.868, 0.873, 0.803, 0.81, 0.727, 0.787, 0.765, 0.836, 0.834, 0.824, 0.8...	{'NOE_err': [None, 0.216, 0.118, 0.158, 0.124, 0.12, 0.087, 0.127, 0.1, 0.093, 0.061, 0.095, 0.063, 0.086, 0.105, 0.095, 0.051, 0.21, 0.198, 0.15, 0.068, 0.102, 0.086, 0.14, 0.092, 0.101, 0.095, 0.071, 0.078, 0.144, 0.105, 0.111, 0.093, 0.084, 0.096, 0.103, 0.132, 0.089, 0.09, 0.091, 0.099, 0.09, 0.071, 0.109, 0.095, 0...	no missing peaks	null	null	5687
5839	relaxdb	relaxdb/af2_pdbs/5839.pdb	Immunoglobulin G-binding protein G	P06654	BMRB	MQYKLVINGKTLKGETTTKAVDAETAEKAFKQYANDNGVDGVWTYDDATKTFTVTE	tvAAAAAAAvvvvAxAAAAAAAAAxAxAAAAAAAxAAAAvvAAAAAAAAAAAAAAA	R1/R2/NOE	1	[600]	297	false	{'NOE': [None, 0.646, 0.706, 0.7, 0.713, 0.714, 0.699, 0.699, 0.684, 0.647, 0.608, 0.597, 0.627, 0.656, None, 0.699, 0.68, 0.708, 0.687, 0.68, 0.688, 0.702, 0.757, 0.741, None, 0.75, None, 0.734, 0.741, 0.74, 0.747, 0.742, 0.742, 0.754, None, 0.762, 0.733, 0.722, 0.72, 0.591, 0.422, 0.723, 0.704, 0.71, 0.73, 0.714, 0.7...	{'NOE_err': [None, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.003, 0.004, 0.003, 0.004, 0.003, None, 0.003, 0.004, 0.003, 0.004, 0.003, 0.003, 0.003, 0.003, 0.003, None, 0.003, None, 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, None, 0.003, 0.004, 0.003, 0.004, 0.003, 0.002, 0.004, 0.004, 0.004, 0.00...	no missing peaks	null	null	5839
5841	relaxdb	relaxdb/af2_pdbs/5841.pdb	Kinase associated protein phosphatase	P46014	BMRB	GPLGSSWLFLEVIAGPAIGLQHAVNSTSSSKLPVKLGRVSPSDLALKDSEVSGKHAQITWNSTKFKWELVDMGSLNGTLVNSHSISHPDLGSRKWGNPVELASDDIITLGTTTKVYVRISSQNEFQIPFKIGVASDPMA	.pttvtAAA^A^xAApAAAA^AAxAxAAv.AApAAxAAA.pvxAAAAvxxA.AvAAAAAAxAAAAAAAAAAxxxAAAAAAA^vAAAApAAvAAAAAApAAAAAAAAAAxAAAAAAA^AxAtvvt...p........p..	R1/R2/NOE	2	[500, 600]	298	false	{'NOE': [None, None, None, None, 0.499, 0.764, 0.881, 0.806, 0.852, 0.791, 0.777, 0.796, None, 0.75, 0.789, None, 0.805, 0.751, 0.778, 0.78, 0.73, 0.831, 0.838, None, 0.744, None, 0.804, 0.795, 0.616, None, 0.8, 0.782, None, 0.782, 0.723, None, 0.84, 0.72, 0.768, None, None, 0.57, None, 0.758, 0.808, 0.803, 0.809, 0.27...	{'NOE_err': [None, None, None, None, 0.004, 0.008, 0.013, 0.027, 0.006, 0.042, 0.038, 0.011, None, 0.005, 0.015, None, 0.028, 0.015, 0.041, 0.038, 0.032, 0.01, 0.025, None, 0.006, None, 0.034, 0.018, 0.025, None, 0.003, 0.019, None, 0.022, 0.008, None, 0.045, 0.024, 0.021, None, None, 0.037, None, 0.023, 0.008, 0.031, ...	https://link.springer.com/article/10.1023/A:10...	"The assignments missing were NH of Ser204, Se...	5564	5841
5991	relaxdb	relaxdb/af2_pdbs/5991.pdb	p54	P27577	BMRB	KGTFKDYVRDRADLNKDKPVIPAAALAGYTGSGPIQLWQFLLELLTDKSCQSFISWTGDGWEFKLSDPDEVARRWGKRKNKPKMNYEKLSRGLRYYYDKNIIHKTAGKRYVYRFVSDLQSLLGYTPEELHAMLDVKPDAD	tvvvvtvvtvvvvvvvvtpvtp.ttvtttttvvp^vAbAvvAAAAAAAAAAAAAAAAAAAAAAAAAApAAAAAAAAvv^AApbvvAAv^AAAAAA^Axxv^xAAAAAvbvAAAAAAvAAAAAAAApAAAAAvAvvvpvvv	R1/R2/NOE	1	[500]	301	false	{'NOE': [None, 0.0, 0.3924, 0.5427, 0.5627, 0.6505, 0.5826, 0.6382, 0.7792, 0.627, 0.5172, 0.3708, 0.4427, 0.3284, 0.3335, 0.2715, 0.5448, None, None, 0.5412, None, None, None, 0.8514, 0.7089, 0.6475, 0.8216, 0.6974, 0.6827, None, 0.7028, 0.5397, 0.5227, None, 0.6681, 0.6473, 0.7276, 0.5715, 0.8798, 0.5081, 0.6357, 0.7...	{'NOE_err': [None, 0.0283, 0.0245, 0.0339, 0.0351, 0.0406, 0.0364, 0.0399, 0.0488, 0.0391, 0.0324, 0.0231, 0.0276, 0.0205, 0.0209, 0.017, 0.034, None, None, 0.0339, None, None, None, 0.0533, 0.0443, 0.0405, 0.0514, 0.0436, 0.0426, None, 0.0439, 0.0338, 0.0326, None, 0.0418, 0.0405, 0.0455, 0.0358, 0.055, 0.0318, 0.0398...	no missing peaks	null	null	5991
5995	relaxdb	relaxdb/af2_pdbs/5995.pdb	Major urinary protein 1	P11588	BMRB	EEASSTGRNFNVEKINGEWHTIILASDKREKIEDNGNFRLFLEQIHVLENSLVLKFHTVRDEECSELSMVADKTEKAGEYSVTYDGFNTFTIPKTDYDNFLMAHLINEKDGETFQLMGLYGREPDLSSDIKERFAQLCEKHGILRENIIDLSNANRCLQARE	.ttttttttxAAAxxAA^^^xAAAxAAAxAAAAxxA^AAAAxxxxxxAxxAxAAAx^^xAx^xAxAxAAAAAxAAAxxAxAAxAAAxAAxAApAxAAxxAAxAAAAAxxxAxAAAAAAAAAxApAAA^AAAxAAAAAAxAAA^AAAxAxxAxxxxxxttttv	R1/R2/NOE	1	[600]	283	false	{'NOE': [None, None, 0.83, 0.7, None, None, None, None, None, None, 0.75, 0.78, 0.81, None, None, 0.83, 0.77, 0.75, 0.81, 0.78, None, 0.83, 0.82, 0.77, None, 0.8, 0.77, 0.72, None, 0.78, 0.81, 0.81, 0.79, None, None, 0.78, 0.69, 0.83, 0.87, 0.85, 0.74, None, None, None, None, None, None, 0.79, None, None, 0.74, None, 0...	{'NOE_err': [None, None, 0.01, 0.01, None, None, None, None, None, None, 0.01, 0.01, 0.01, None, None, 0.01, 0.02, 0.07, 0.01, 0.01, None, 0.07, 0.01, 0.01, None, 0.02, 0.01, 0.01, None, 0.01, 0.02, 0.02, 0.01, None, None, 0.02, 0.05, 0.01, 0.02, 0.05, 0.03, None, None, None, None, None, None, 0.01, None, None, 0.01, N...	no missing peaks	null	null	5995
6470	relaxdb	relaxdb/af2_pdbs/6470.pdb	Ubiquitin-ribosomal protein eL40 fusion protein	P62987	BMRB	MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG	tAAAAAAAvvvAAAAAAApAAAAx^AAAAAxAAAAAppAAAAAAAAAAAAAAxAAAAAAAAvAAAAAAAAAxvvvv	R1/R2/NOE	1	[600]	300	false	{'NOE': [None, 0.732, 0.755, 0.764, 0.754, 0.723, 0.716, 0.661, 0.57, 0.6, 0.557, 0.679, 0.686, 0.738, 0.744, 0.72, 0.724, 0.728, None, 0.664, 0.796, 0.757, 0.759, None, 0.768, 0.739, 0.767, 0.727, 0.745, 0.756, None, 0.794, 0.76, 0.744, 0.77, 0.798, None, None, 0.763, 0.749, 0.743, 0.76, 0.732, 0.751, 0.759, 0.727, 0....	{'NOE_err': [None, 0.0366, 0.03775, 0.0382, 0.0377, 0.03615, 0.0358, 0.03305, 0.0285, 0.03, 0.02785, 0.03395, 0.0343, 0.0369, 0.0372, 0.036, 0.0362, 0.0364, None, 0.0332, 0.0398, 0.03785, 0.03795, None, 0.0384, 0.03695, 0.03835, 0.03635, 0.03725, 0.0378, None, 0.0397, 0.038, 0.0372, 0.0385, 0.0399, None, None, 0.03815,...	no missing peaks	null	null	6470
6838	relaxdb	relaxdb/af2_pdbs/6838.pdb	Beta-lactamase PSE-4	P16897	BMRB	SSSKFQQVEQDVKAIEVSLSARIGVSVLDTQNGEYWDYNGNQRFPLTSTFKTIACAKLLYDAEQGKVNPNSTVEIKKADLVTYSPVIEKQVGQAITLDDACFATMTTSDNTAANIILSAVGGPKGVTDFLRQIGDKETRLDRIEPDLNEGKLGDLRDTTTPKAIASTLNKFLFGSALSEMNQKKLESWMVNNQVTGNLLRSVLPAGWNIADRSGAGGFGARSITAVVWSEHQAPIIVSIYLAQTQASMEERNDAIVKIGHSIFDVYTSQSR	...vAAAAAAAAAAAxAAxAAAAAAAAAAAAvAAA^AAAAAAAApAA.AxAAAAAAAxAAAAAAAAAxpAAAAAAAxAAAAxAApAAAAAAAAAAAAAAAAAxAAAAAAAAAAAAAAAAAAApxAAAAAAAAAAAA^AAAAAAApxAxAAxxAAAAAAAApxxAAvxAAAAAAAAAAAAAAxAAA^AAAAAA^AAAAA^AAAApAAAAAAAAAA.AAAAAA^AAAAAxAAAAApAAAAAAAAAAAx^AAAAAxAAAAAAAAAAAAAAvvvv	R1/R2/NOE	3	[500, 600, 800]	303.15	false	{'NOE': [None, None, None, 0.6139, 0.7644, 0.8185, 0.7921, 0.8066, 0.8192, 0.8144, 0.899, 0.8754, 0.8161, 0.8437, 0.8854, None, 0.8183, 0.8341, None, 0.883, 0.7769, 0.7817, 0.7998, 0.8637, 0.8559, 0.8749, 0.8826, 0.8348, 0.8128, 0.772, 0.6836, 0.6275, 0.7808, 0.7609, 0.7451, 0.8107, 0.8959, 0.921, 0.8647, 0.8961, 0.910...	{'NOE_err': [None, None, None, 0.026289, 0.017697, 0.019684, 0.017748, 0.019632, 0.02022, 0.018913, 0.019229, 0.026351, 0.019674, 0.017552, 0.022042, None, 0.020284, 0.016323, None, 0.021909, 0.020585, 0.021111, 0.025752, 0.035673, 0.028921, 0.027713, 0.032796, 0.030554, 0.031656, 0.022639, 0.018261, 0.019443, 0.018068...	https://www.cell.com/biophysj/fulltext/S0006-3...	"This is consistent with two nearby residues (...	null	6838
7036	relaxdb	relaxdb/af2_pdbs/7036.pdb	Cytoplasmic protein NCK2	O43639	BMRB+curated NOEs	HVVQTLYPFSSVTEEELNFEKGETMEVIEKPENDPEWWKCKNARGQVGLVPKNYVVVLS	vAAAAAApAAAA^AAAAAxAAAAAAAAAAApAAApAvAAAAAAAAAvAAApAAAAAAAv	R1/R2/NOE	1	[800]	298	false	{'NOE': [0.626744617, 0.751080736, 0.80742723, 0.808077731, 0.782947013, 0.77157561, 0.788941496, None, 0.774309358, 0.805434559, 0.713763432, 0.672007905, 0.706122113, 0.781637778, 0.767219729, 0.806340319, 0.849512125, 0.718876858, None, 0.80969163, 0.801589197, 0.671489151, 0.796401663, 0.804364115, 0.765712874, 0.8...	{'NOE_err': [0.005, 0.005, 0.005, 0.005, 0.005, 0.005, 0.01099263, None, 0.005, 0.011387871, 0.008876446, 0.020396064, 0.011264358, 0.005, 0.005, 0.005, 0.005, 0.005, None, 0.005, 0.005, 0.005, 0.005, 0.010687966, 0.005, 0.005, 0.005, 0.013561695, 0.005, 0.005, None, 0.005, 0.005, 0.005, None, 0.005, 0.005, 0.005, 0.00...	no missing peaks	null	null	7036
7056	relaxdb	relaxdb/af2_pdbs/7056.pdb	Polymerase basic protein 2	P31345	BMRB	GDPDESTSGVESAVLRGFLILGKEDRRYGPALSINELSNLAKGEKANVLIGQGDVVLVMKRKRDSSILTDSQTATKRIRMAIN	..pvvvvvvvtvtttt.^AAAAAAAxAAApAAAAAAAAvAAvAAAxAAAxvvvAvAAAAAAttt.tvvvvvvvtvvvvvvvvv	R1/R2/NOE	1	[600]	283	false	{'NOE': [None, None, None, 0.109, 0.23, 0.24, 0.359, 0.314, 0.303, 0.524, None, 0.534, None, 0.658, 0.694, 0.816, None, 0.805, 0.794, 0.684, 0.713, 0.799, 0.659, 0.677, 0.735, None, 0.723, 0.77, 0.852, None, 0.678, 0.663, 0.717, 0.675, 0.66, 0.712, 0.699, 0.711, 0.62, 0.748, 0.771, 0.621, 0.791, 0.746, 0.767, 0.715, 0....	{'NOE_err': [None, None, None, 0.096, 0.06, 0.089, 0.106, 0.079, 0.093, 0.045, None, 0.085, None, 0.056, 0.084, 0.094, None, 0.069, 0.087, 0.082, 0.086, 0.056, 0.086, 0.063, 0.069, None, 0.06, 0.052, 0.06, None, 0.193, 0.083, 0.061, 0.113, 0.056, 0.068, 0.066, 0.074, 0.057, 0.051, 0.163, 0.2, 0.097, 0.132, 0.087, 0.209...	https://www.nature.com/articles/nsmb1212	null	null	7056
7432	relaxdb	relaxdb/af2_pdbs/7432.pdb	Iron-sulfur cluster assembly scaffold protein ...	P0ACD4	BMRB	MAYSEKVIDHYENPRNVGSFDNNDENVGSGMVGAPACGAVMKLQIKVNDEGIIEDARFKTYGCGSAIASSSLVTEWVKGKSLDEAQAIKNTDIAEELELPPVKIHCSILAEDAIKAAIADYKSKREAK	.....vvvv....pttttAAvv.AAAAAAAAAAAp.AAAAAAAAAAAAAAAAAAAAAA^..AA.....AAAAAAAAAAAAAAAAAAAAAAAAAAAA^^^ppAAA.AA^^AAAAAAAAAAAAAAAtvvv	R1/R2/NOE	1	[600]	298	false	{'NOE': [None, None, None, None, None, 0.0, 0.0, 0.0, 0.054237051, None, None, None, None, None, 0.877903385, 0.740020887, 0.8737053, 0.733707293, 0.767037085, 0.832085045, 0.117361846, 0.220523121, None, 0.784767699, 0.766353393, 0.77930035, 0.792936567, 0.84025099, 0.83970782, 0.744021887, 0.799349743, 0.779813714, 0...	{'NOE_err': [None, None, None, None, None, 0.712723192, 0.339656773, 0.042664311, 0.009612753, None, None, None, None, None, 0.172670689, 0.021813048, 0.012968592, 0.028644441, 0.192101665, 0.006276024, 0.45719302, 0.111794591, None, 0.01153902, 0.009291259, 0.025386186, 0.010893567, 0.037907598, 0.004904321, 0.0768239...	https://pubmed.ncbi.nlm.nih.gov/19492851	"Blank regions correspond to residues whose si...	null	7432
11080	relaxdb	relaxdb/af2_pdbs/11080.pdb	peptidylprolyl isomerase	O74049	BMRB	GPMGSMADKIKCSHILVKKQGEALAVQERLKAGEKFGKLAKELSIDGGSAKRDGSLGYFGRGKMVKPFEDAAFRLQVGEVSEPVKSEFGYHVIKRLG	.p.....tvAAAvAxAxAAA.AAvAAAAAAvAAAAAvvAAAAAxAAxxbAAAAAAAAAAAAAAxxApAAAAAxAAAxxxxA^pAAAAAAAAAAAAAA	R1/R2/NOE	1	[500]	289	false	{'NOE': [None, None, None, None, None, None, None, None, 0.51, 0.78, 0.84, 0.79, 0.64, 0.67, None, 0.72, None, 0.79, 0.71, 0.74, None, 0.67, 0.82, 0.65, 0.81, 0.75, 0.74, 0.82, 0.71, 0.78, 0.56, 0.73, 0.85, 0.74, 0.7, 0.83, 0.62, 0.62, 0.81, 0.72, 0.82, 0.7, 0.87, None, 0.79, 0.77, None, None, 0.65, 0.75, 0.81, 0.76, 0...	{'NOE_err': [None, None, None, None, None, None, None, None, 0.03, 0.07, 0.08, 0.07, 0.05, 0.05, None, 0.06, None, 0.05, 0.04, 0.07, None, 0.05, 0.06, 0.04, 0.04, 0.04, 0.04, 0.05, 0.04, 0.05, 0.03, 0.04, 0.05, 0.04, 0.05, 0.15, 0.05, 0.04, 0.06, 0.04, 0.05, 0.04, 0.07, None, 0.08, 0.06, None, None, 0.07, 0.06, 0.07, 0...	https://pubmed.ncbi.nlm.nih.gov/21138844/	"Missing data comprise two prolines (Pro62 and...	null	11080
15255	relaxdb	relaxdb/af2_pdbs/15255.pdb	Diphtheria toxin repressor	P0DJL7	BMRB	GSHMDAAAPGTRVIDAATSMPRKVRIVQINEIFQVETDQFTQLLDADIRVGSEVEIVDRDGHITLSHNGKDVELLDDLAHTIRIEEL	tttttvtvpvttttttttttptAAAAAxAvvvvvvvvxvAAA^AA^^^AAAAAAA^AAAvvvAAttttttttttttttttttttttv	R1/R2/NOE	1	[600]	303	false	{'NOE': [None, None, None, None, None, 0.0, None, 0.164, None, 0.618, 0.708, 0.711, 0.761, 0.753, 0.707, 0.702, None, 0.754, 0.781, 0.711, None, 0.733, 0.69, 0.721, 0.717, 0.732, 0.74, None, 0.754, 0.0, 0.617, 0.488, 0.394, 0.597, 0.485, 0.56, 0.507, None, 0.607, 0.702, 0.749, 0.686, 0.699, 0.738, 0.732, 0.72, 0.722, 0...	{'NOE_err': [None, None, None, None, None, 0.02, None, 0.016, None, 0.016, 0.02, 0.018, 0.02, 0.021, 0.021, 0.005, None, 0.021, 0.019, 0.015, None, 0.016, 0.016, 0.019, 0.018, 0.009, 0.023, None, 0.019, 0.023, 0.017, 0.009, 0.016, 0.017, 0.011, 0.017, 0.017, None, 0.018, 0.017, 0.017, 0.016, 0.022, 0.017, 0.016, 0.025,...	no missing peaks	null	4183	15255
15451	relaxdb	relaxdb/af2_pdbs/15451.pdb	GA-binding protein alpha chain	Q00422	BMRB	MAECVSQAIDINEPIGNLKKLLEPRLQCSLDAHEICLQDIQLDPDRSLFDQGVKTDGTVQLSVQVISYQGMEPKLNILEIVKTAETVEW	.vvvAAAAAAAAApAAAAAAAAApAxAA^^A^^AvAAA^AAAApAAAAAAAAAvvAvAAAAxAxAA^vbvvxpAAAAAAxAAvvtvvvt	R1/R2/NOE	1	[500]	298	false	{'NOE': [None, 0.0785, 0.2958, 0.3402, 0.6849, 0.7529, 0.7482, 0.7505, 0.7539, 0.7464, 0.7745, 0.8126, 0.7975, None, 0.7732, 0.7683, 0.7462, 0.7418, 0.789, 0.6639, 0.7136, 0.7596, 0.7528, None, 0.6734, None, 0.7894, 0.7061, 0.6762, 0.7308, 0.709, 0.7761, 0.7495, 0.7664, 0.6427, 0.7357, 0.7741, 0.7196, 0.7078, 0.7102, 0...	{'NOE_err': [None, 0.0039, 0.0148, 0.017, 0.0342, 0.0376, 0.0374, 0.0375, 0.0377, 0.0373, 0.0387, 0.0406, 0.0399, None, 0.0387, 0.0384, 0.0373, 0.0371, 0.0395, 0.0332, 0.0357, 0.038, 0.0376, None, 0.0337, None, 0.0395, 0.0353, 0.0338, 0.0365, 0.0355, 0.0388, 0.0375, 0.0383, 0.0321, 0.0368, 0.0387, 0.036, 0.0354, 0.0355...	null	unresolved in HSQC: "unresolved amide signals ...	null	15451
15521	relaxdb	relaxdb/af2_pdbs/15521.pdb	Thyroid TF 1 Homeodomain	P23441	BMRB	MRRKRRVLFSQAQVYELERRFKQQKYLSAPEREHLASMIHLTPTQVKIWFQNHRYKMKRQAKDKAAQQ	.vvvvvvvAAAAAAAAvAAAAAAAvbvAApvAAAAAAv^AAApAvAAAvAAAvvAAvvvvvvvvvvvv	R1/R2/NOE	1	[500]	286	false	{'NOE': [None, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.695, 0.741, 0.707, 0.715, 0.707, 0.671, 0.763, 0.708, 0.567, 0.828, 0.713, 0.678, 0.726, 0.724, 0.669, 0.734, 0.531, 0.529, 0.523, 0.798, 0.724, None, 0.569, 0.757, 0.685, 0.664, 0.888, 0.771, 0.735, 0.625, 0.749, 0.784, 0.667, 0.696, None, 0.7, 0.623, 0.715, 0.837, 0...	{'NOE_err': [None, 0.09, 0.037, 0.034, 0.035, 0.034, 0.034, 0.034, 0.044, 0.042, 0.045, 0.039, 0.005, 0.039, 0.044, 0.047, 0.048, 0.049, 0.043, 0.042, 0.043, 0.044, 0.042, 0.048, 0.04, 0.052, 0.045, 0.059, 0.044, None, 0.039, 0.038, 0.056, 0.039, 0.073, 0.042, 0.043, 0.042, 0.047, 0.006, 0.04, 0.044, None, 0.042, 0.004...	no missing peaks	null	null	15521
15795	relaxdb	relaxdb/af2_pdbs/15795.pdb	MBF1 of Trichoderma reesei	G0RLX7	BMRB	GAMDPEFAGGTEGQRLTKVDRSDDIIKPKTVGKEVGKAIEQGRQKFEPTMTQAELGKEIGETAATVASYERGTATPDQNILSKMERVLNVKLRGANIGAPRLGPKKK	..vvpvvvvvvvvvvvtvvvvtttvvvptvtAxvxAAAAAAAAAAAvpAAAAxAAAAAAAAAAAxxAAxxxAAAApAxAAAAxxAxAAAAAttttvvvvpvtvpttv	R1/R2/NOE	1	[500]	298	false	{'NOE': [None, None, 0.0, 0.0, None, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, None, 0.0, 0.0, 0.0, 0.0, None, None, None, 0.0, 0.0, 0.0, None, None, 0.463709, 0.659683, 0.681083, None, 0.638387, None, 0.774182, 0.698937, 0.765697, 0.796014, 0.794882, 0.780009, 0.705305, 0.722191, 0.719663, 0.700693, 0.694...	{'NOE_err': [None, None, 0.0304729, 0.00495322, None, 0.00272635, 0.00269727, 0.00608696, 0.00908466, 0.00888131, 0.00960931, 0.00459483, 0.00809543, 0.00493927, 0.00668122, 0.00409236, None, 0.00219573, 0.00316726, 0.00434656, 0.00145339, None, None, None, 0.00172751, 0.00214763, 0.00408898, None, None, 0.00340056, 0....	no missing peaks	null	null	15795
16392	relaxdb	relaxdb/af2_pdbs/16392.pdb	TEM1 beta lactamase	P62594	BMRB	HPGTLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTMPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW	.pAxAAAxAAAAAAAAxvAxAAAAxAvAAxAAAAAApAAAxpAAxAAAAAAAAAAAAAxxAAAAAAxAAAAAAAAAAAAAApxAAAAAAAxAAAAAAxxAxA^Ax^AxxxAAAAx^AAApAAAAAAxAAAAAAAAAxAAxApx^A^xxpAAAAAAAxpAAAAxAAxAAAAxAvxAAAAxAAAAAAA^A^xxA^p^^AxAApAAAAAAA^xA.AAxAAxAAxxAAAp^^ApAAxAAxAxxAAAAAxAxxAAAAAxAAAAAAxxA	R1/R2/NOE	2	[500, 600]	303.15	false	{'NOE': [None, None, 0.736, None, 0.869, 0.738, 0.791, None, 0.804, 0.776, 0.749, 0.806, 0.77, 0.755, 0.758, 0.854, None, 0.564, 0.762, None, 0.812, 0.799, 0.786, 0.739, None, 0.846, 0.609, 0.764, 0.807, None, 0.765, 0.779, 0.79, 0.733, 0.759, 0.8, None, 0.795, 0.802, 0.766, None, None, 0.77, 0.791, None, 0.767, 0.847,...	{'NOE_err': [None, None, 0.037, None, 0.043, 0.037, 0.039, None, 0.04, 0.039, 0.037, 0.04, 0.038, 0.038, 0.038, 0.042, None, 0.028, 0.038, None, 0.04, 0.04, 0.039, 0.037, None, 0.042, 0.03, 0.038, 0.04, None, 0.038, 0.039, 0.039, 0.036, 0.038, 0.04, None, 0.04, 0.04, 0.038, None, None, 0.038, 0.039, None, 0.038, 0.042,...	null	" The missing backbone assignments are: ...[13...	6024	16392
17018	relaxdb	relaxdb/af2_pdbs/17018.pdb	Death-associated protein 6	Q4VX54	BMRB	GSHMGKKCYKLENEKLFEEFLELCKMQTADHPEVVPFLYNRQQRAHSLFLASAEFCNILSRVLSRARSRPAKLYVYINELCTVLKAHSAKKKLN	...tvvvvAAAAAAAAAAAAAAAA^Avv^b^pxAApAAAAAAAAAAvAAAAAAAAAAAAAAxAAAAAAApAAAAAAAAAAAxAAAAvAttvtvv	R1/R2/NOE	1	[500]	298	false	{'NOE': [None, None, None, None, 0.0, 0.0, 0.0, 0.4191, 0.9085, 0.8879, 0.7311, 0.7765, 0.7057, 0.7696, 0.7667, 0.7614, 0.739, 0.8025, 0.7661, 0.7206, 0.7703, 0.7313, 0.7285, 0.7699, 0.6522, 0.6958, 0.6436, 0.6124, 0.72, 0.6471, 0.7331, None, None, 0.7186, 0.7482, None, 0.7883, 0.7898, 0.7199, 0.8024, 0.7149, 0.8562, 0...	{'NOE_err': [None, None, None, None, 0.045275, 0.013395, 0.00863, 0.020955, 0.045425, 0.044395, 0.036555, 0.038825, 0.035285, 0.03848, 0.038335, 0.03807, 0.03695, 0.040125, 0.038305, 0.03603, 0.038515, 0.036565, 0.036425, 0.038495, 0.03261, 0.03479, 0.03218, 0.03062, 0.036, 0.032355, 0.036655, None, None, 0.03593, 0.03...	no missing peaks	null	null	17018
17246	relaxdb	relaxdb/af2_pdbs/17246.pdb	Cell wall surface anchor family protein	A0A0H2UNM7	BMRB	METASAATVFAAGTTTTSVTVHKLLATDGDMDKIANELETGNYAGNKVGVLPANAKEIAGVMFVWTNTNNEIIDENGQTLGVNIDPQTFKLSGAMPATAMKKLTEAEGAKFNTANLPAAKYKIYEIHSLSTYVGEDGATLTGSKAVPIEIELPLNDVVDAHVYPKNTEAKPKILE	......vvvvvvvttAAAAAAAAAAxAAvAAAAAvAvAAvvAvvvAAAvvvpAAAAA.AAAAAAAAAAAAAAAAAAAAAAAAAAApAAvAAAAvApA^AAAAAAAAAAAAAAAAAApAAAAvAA.A..A....vvAvvvvv.vvvvpvAAvvpAv^AAAAAAApvvvvvvpvvvt	R1/R2/NOE	1	[500]	298	false	{'NOE': [None, None, None, None, None, None, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.09, 0.69, 0.84, 0.73, 0.86, 0.8, 0.83, 0.73, 0.8, 0.83, 0.74, 0.76, 0.66, None, 0.86, 0.76, 0.6, 0.73, 0.66, 0.7, 0.69, 0.83, 0.58, 0.71, 0.64, 0.67, 0.68, 0.61, 0.64, 0.67, 0.61, 0.49, 0.61, 0.67, 0.68, 0.78, 0.58, 0.57, 0.62, None, 0.84, 0.7...	{'NOE_err': [None, None, None, None, None, None, 0.05, 0.04, 0.03, 0.02, 0.01, 0.01, 0.01, 0.03, 0.04, 0.04, 0.04, 0.04, 0.04, 0.04, 0.04, 0.04, 0.04, 0.04, 0.03, None, 0.04, 0.03, 0.04, 0.03, 0.03, 0.03, 0.04, 0.03, 0.04, 0.03, 0.03, 0.03, 0.03, 0.03, 0.03, 0.03, 0.02, 0.03, 0.03, 0.03, 0.08, 0.03, 0.03, 0.03, 0.04, N...	https://www.jbc.org/article/S0021-9258(20)5154...	"All the amide protons of the D1 domain were a...	null	17246
17266	relaxdb	relaxdb/af2_pdbs/17266.pdb	Silver efflux protein	Q58AF3	BMRB	GPEHRAVGRIQSIGERSLIIAHEAIPSAQWGAMTMEFAAPPAGLPQGLKAGDRVAFSFRLDPHGMATLVTVAPQVQTAGAKP	.pvAAAAAAAAAAxvvAAAAA^A^ApAA^A^A^A^AAAAppAAApAAAAAAAAAAAAxxAApvvvAAAAAAAptttvvvvvp	R1/R2/NOE	1	[600]	273	false	{'NOE': [None, None, 0.3768, 0.6773, 0.7286, 0.7586, 0.7396, 0.7613, 0.7502, 0.7651, 0.7689, 0.7411, 0.758, None, 0.6265, 0.6057, 0.7437, 0.7574, 0.7544, 0.7694, 0.77, 0.7754, 0.7403, 0.7435, 0.7332, None, 0.7557, 0.7423, 0.7205, 0.7562, 0.7281, 0.7425, 0.7503, 0.7161, 0.7588, 0.764, 0.7591, 0.7405, 0.7425, None, None,...	{'NOE_err': [None, None, 0.0272, 0.0457, 0.0408, 0.0377, 0.0396, 0.0373, 0.0434, 0.0429, 0.0586, 0.0353, 0.0377, None, 0.026, 0.0394, 0.0307, 0.0454, 0.0431, 0.0553, 0.0528, 0.0578, 0.0582, 0.0428, 0.0471, None, 0.0532, 0.1032, 0.0535, 0.0433, 0.067, 0.0374, 0.1459, 0.0416, 0.0513, 0.0479, 0.0557, 0.0413, 0.036, None, ...	no missing peaks	null	null	17266

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RelaxDB Dataset

The RelaxDB and RelaxDB-CPMG datasets are curated data of relaxation-dispersion NMR data. This dataset was used to evaluate our model Dyna-1. Both the model and the datasets were introduced in our paper "Learning millisecond protein dynamics from what is missing in NMR spectra".

This HF datasets hosts the files for the RelaxDB data. More information on analysis from the paper, evaluation of the dataset using Dyna-1, or the Dyna-1 model itself can be found on GitHub.

Overview

relaxdb/relaxdb_data.csv: contains the entry ids, sequences, labels, and other metadata found in in the data/ metadata.
relaxdb/af2_pdbs: contains all of the af2 models used for input and evaluation in .pdb format
relaxdb/split_files: contains split files for the provided datasets.
data/metadata: contains .npy files describing the proteins for RelaxDB and RelaxDB-CPMG datasets. A.xlsx file with metadata of the curated proteins can be found on GitHub.
data/probs: contains saved frequencies from mBMRB-Train, stored for calculating dummy baselines.

Usage

To download the dataset, you can download the metadata table quickly with the huggingface datasets package:

from datasets import load_dataset

dataset = load_dataset("gelnesr/RelaxDB")
df = dataset["relaxdb"].to_pandas()

This dataset includes protein structure files (.pdb) stored separately from the tabular data. Each dataset row contains a column (e.g. pdb_file) with the relative path to the corresponding PDB file, for example relaxdb/af2_pdbs/4267.pdb

Metadata

Column descriptions of each protein entry in relaxdb/relaxdb_data.csv:

id: entry identifier
dataset: relaxdb or relaxdb-cpmg
pdb: relative path of AF2 predicted structure
protein_name: name of protein
uniprot_id: UniProt accesion identifier
curation_source: data source for experimental data
sequence: protein sequence
label: residue-level annotations aligned to the sequence
assignments: source of assignments if not from original source ... and others!

Labels

These labels indicate the type and availability of data for each residue:

t : no data due to disordered terminus
x: no data; R1/R2/NOE not reported
N : residue assigned, but CPMG data not reported
. : missing data
p, P : proline (not evaluated)
A : no special annotation (default)
v: fast internal motion
b : mixed fast and slow motion
^ : chemical exchange detected (Rex)
X : exchange detected via Rex criteria
Y : exchange inferred from unsuppressed R2

Citation

If you are using our code, datasets, or model, please use the following citation:

@article {Dyna-1,
    author = {Wayment-Steele, Hannah K. and El Nesr, Gina and Hettiarachchi, Ramith and Kariyawasam, Hasindu and Ovchinnikov, Sergey and Kern, Dorothee},
    title = {Learning millisecond protein dynamics from what is missing in NMR spectra},
    year = {2025},
    doi = {10.1101/2025.03.19.642801},
    journal = {bioRxiv}
}

Acknowledgements

We thank Katie Henzler-Wildman, Magnus Wolf-Watz, Elan Eisenmesser, J. Patrick Loria, Marcellus Ubbelink, George Lisi, Sam Butcher, and Nicolas Doucet for sharing data. We thank Martin Stone for sharing the Indiana Dynamics Database data his group curated in 2000.