. 2016 Dec 17;66(4):281–293. doi: 10.1007/s10858-016-0078-1

Table 2.

Magnetic susceptibility tensors derived during the assignment of the SNARE complex I, L, M and V methyl groups

Tensor	Δχ_ax ^a	Δχ_rh ^a	X^b	Y^b	Z^b	Tensor axis	Coordinates of tensor axes^c
SN166Dy	−26.9	−5.4	10.6	58.5	10.4	x	−0.997	0.042	0.064
	(±1.1)	(±1.1)	(±0.7)	(±0.6)	(±0.5)	y	0.076	0.491	0.868
						z	0.004	0.870	−0.493
SN166Yb	7.9	1.9	11.4	59.4	10.2	x	−0.948	0.276	0.16
	(±0.4)	(±0.4)	(±0.3)	(±0.4)	(±0.5)	y	0.256	0.359	0.898
						z	0.190	0.891	−0.411
SN41Dy	−24.1	−2.3	22.3	53.6	29.8	x	−0.512	0.421	0.749
	(±0.6)	(±0.9)	(±0.3)	(±0.7)	(±0.5)	y	0.142	−0.818	0.557
						z	0.848	0.391	0.359
Syx214Dy	−21.2	−5.1	21.5	35.0	26.5	x	−0.571	−0.42	−0.706
	(±0.6)	(±1.4)	(±0.5)	(±0.7)	(±0.8)	y	−0.694	−0.214	0.688
						z	−0.439	0.882	−0.169

The tensors are listed in their unique tensor representation (UTR) as derived by simultaneously fitting all the PCSs measured for a given lanthanide at a given site (Table 1, Supplementary Table 1) using Numbat, assuming a common metal position for samples istopically labeled at different SNARE motifs but containing the same lanthanide at the same site. The errors estimated for Δχ_ax and Δχ_rh, as well as for the tensor center coordinates, are indicated in parenthesis below their values. The errors correspond to the standard deviations yielded by Numbat using a Monte Carlo error analysis with 100 samples and random omission of 20% of the PCSs for each Monte Carlo sample

^aTensor parameters in units of 10⁻³² m³

^bCoordinates of tensor center in the coordinate system used in the high-resolution structure of the SNARE complex (Ernst and Brunger 2003) (PDB accession code 1N7S)

^cThe tensor axes are given as unit vectors with respect to the origin (0, 0, 0)