NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
24642 |
2k3u   |
15778 | cing | 1-original | 4 | XPLOR/CNS | distance | NOE | ambi |
!
! EOF! CHIPS-C5aR(P7-28S) intermolecular restraints from different (isotope-filtered) 2D and
! 3D-NOESY spectra:
! 1. 3D-15N-edited NOESY-HSQC (600 MHz).
! 2. 3D-13C-edited HSQC-NOESY (600 MHz).
! 3. 3D-13C-edited-13C-filtered NOESY-HSQC alifatic (900 MHz, expno20, 200 ms mixing time).
! 4. 3D-13C-edited-13C-filtered NOESY-HSQC aromatics (900 MHz, expno30_nr2, 200 ms mixing time).
! 5. 2D-13C-filtered NOESY (900 MHz, expno8, 200 ms mixing time).
!
! Note that these distance restraints are semi-quantitative upper bound distances.
! No attempt has been made to average the distance upper limit of similar corresponding
! restraints in the different subtype spectra (1-5). Instead the doublures of restraints between
! same proton pairs has been used as a weighting factor of the experimental data.
!
! All individual Yasara distance restraints were weighted with scaling factor 10 and
! with scaling factor 2.0 for dihedral angles. Restraining potential used was soft-square to
! avoid excessive force during docking and refining of the protein-peptide complex.
! Force field of docking: Amber99 with no electrostatics included.
! Force field water refinement: Amber99, explicit solvation, constant pressure,
! periodic boundary conditions and inclusion of long-range electrostatics.
!
! 1.
! Intermolecular restraints between CHIPS and C5aR(P7-28S) in the CHIPS-C5aR(P7-28S) complex
! derived from the 3D-15N-edited NOESY-HSQC recorded at 600 MHz.
! Target distances (upper limits) calculated by R^3 scaling of experimental peak intensities .
! Approximate distance scaling based upon the intense cross peak of HN Val109 and HN
! His13 (2.41 Angstrom).
!
ASSI (RESI 109 AND NAME HN ) (RESI 13 AND NAME HB1 ) 4.83 4.83 1.0
ASSI (RESI 109 AND NAME HN ) (RESI 13 AND NAME HN ) 2.41 2.41 1.0
ASSI (RESI 54 AND NAME HN ) (RESI 14 AND NAME HE# ) 3.86 3.86 1.0
ASSI (RESI 55 AND NAME HN ) (RESI 14 AND NAME HE# ) 4.39 4.39 1.0
ASSI (RESI 109 AND NAME HN ) (RESI 14 AND NAME H ) 5.02 5.02 1.0
ASSI (RESI 109 AND NAME HN ) (RESI 15 AND NAME HB1 ) 4.38 4.38 1.0
ASSI (RESI 109 AND NAME HN ) (RESI 15 AND NAME HB2 ) 4.74 4.74 1.0
ASSI (RESI 109 AND NAME HN ) (RESI 15 AND NAME HN ) 3.49 3.49 1.0
ASSI (RESI 106 AND NAME HN ) (RESI 19 AND NAME HA ) 3.60 3.60 1.0
ASSI (RESI 106 AND NAME HN ) (RESI 19 AND NAME HB ) 3.14 3.14 1.0
ASSI (RESI 106 AND NAME HN ) (RESI 19 AND NAME HG1 ) 3.95 3.95 1.0
ASSI (RESI 106 AND NAME HN ) (RESI 19 AND NAME HG2# ) 3.83 3.83 1.0
ASSI (RESI 108 AND NAME HN ) (RESI 19 AND NAME HG1 ) 4.15 4.15 1.0
ASSI (RESI 106 AND NAME HN ) (RESI 20 AND NAME HB1 ) 3.95 3.95 1.0
ASSI (RESI 106 AND NAME HN ) (RESI 20 AND NAME HB2 ) 5.38 5.38 1.0
ASSI (RESI 106 AND NAME HN ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 3.55 3.55 1.0
ASSI (RESI 106 AND NAME HN ) (RESI 20 AND NAME HN ) 2.75 2.75 1.0
ASSI (RESI 105 AND NAME HN ) (RESI 21 AND NAME HA ) 3.86 3.86 1.0
ASSI (RESI 106 AND NAME HN ) (RESI 21 AND NAME HA ) 2.77 2.77 1.0
ASSI (RESI 105 AND NAME HN ) (RESI 22 AND NAME HN ) 5.36 5.36 1.0
ASSI (RESI 106 AND NAME HN ) (RESI 22 AND NAME HN ) 4.28 4.28 1.0
!
! 2.
! Intermolecular restraints between CHIPS and C5aR(P7-28S) in the CHIPS-C5aR(P7-28S) complex derived from the
! 3D-13C-edited HSQC-NOESY recorded at 600 MHz.
! Target distances (upper limits) calculated by R^3 scaling of experimental peak intensities .
! Distance corresponding to the intense peak between HG2# Thr53 and HE# sTyr14 of 2.2 Angstrom is used as
! distance yardstick to have comparable distance target restraints when determined in different
! types of isotope-filtered subspectra.
!
ASSI (RESI 48 AND NAME HB1 ) (RESI 11 AND NAME HA ) 4.10 4.10 1.0
ASSI (RESI 48 AND NAME HB2 ) (RESI 11 AND NAME HA ) 3.28 3.28 1.0
ASSI (RESI 110 AND NAME HD1#) (RESI 11 AND NAME HA ) 4.35 4.35 1.0
ASSI (RESI 110 AND NAME HG2#) (RESI 11 AND NAME HA ) 4.24 4.24 1.0
ASSI (RESI 51 AND NAME HB# ) (RESI 11 AND NAME HB1 ) 4.21 4.21 1.0
ASSI (RESI 52 AND NAME HA1 ) (RESI 11 AND NAME HB1 ) 4.44 4.44 1.0
ASSI (RESI 52 AND NAME HA2 ) (RESI 11 AND NAME HB1 ) 4.76 4.76 1.0
ASSI (RESI 51 AND NAME HB# ) (RESI 11 AND NAME HB2 ) 4.83 4.83 1.0
ASSI (RESI 52 AND NAME HA1 ) (RESI 11 AND NAME HB2 ) 4.79 4.79 1.0
ASSI (RESI 52 AND NAME HA2 ) (RESI 11 AND NAME HB2 ) 4.50 4.50 1.0
ASSI (RESI 48 AND NAME HA ) (RESI 11 AND NAME HD# ) 3.20 3.20 1.0
ASSI (RESI 48 AND NAME HB1 ) (RESI 11 AND NAME HD# ) 4.45 4.45 1.0
ASSI (RESI 48 AND NAME HB2 ) (RESI 11 AND NAME HD# ) 3.84 3.84 1.0
ASSI (RESI 51 AND NAME HB# ) (RESI 11 AND NAME HD# ) 3.18 3.18 1.0
ASSI (RESI 51 AND NAME HD# ) (RESI 11 AND NAME HD# ) 3.75 3.75 1.0
ASSI (RESI 51 AND NAME HG# ) (RESI 11 AND NAME HD# ) 4.30 4.30 1.0
ASSI (RESI 48 AND NAME HA ) (RESI 11 AND NAME HE# ) 4.13 4.13 1.0
ASSI (RESI 48 AND NAME HB2 ) (RESI 11 AND NAME HE# ) 5.86 5.86 1.0
ASSI (RESI 51 AND NAME HB# ) (RESI 11 AND NAME HE# ) 3.72 3.72 1.0
ASSI (RESI 51 AND NAME HD# ) (RESI 11 AND NAME HE# ) 3.59 3.59 1.0
ASSI (RESI 51 AND NAME HG# ) (RESI 11 AND NAME HE# ) 4.21 4.21 1.0
! Spin diffusion or incorrect assignment of Ha Val109 - HE# sTyr11
! ASSI (RESI 109 AND NAME HA ) (RESI 11 AND NAME HE# ) 3.85 3.85 1.0
ASSI (RESI 110 AND NAME HA ) (RESI 12 AND NAME HA# ) 2.99 2.99 1.0
ASSI (RESI 110 AND NAME HD1#) (RESI 12 AND NAME HA1 ) 3.50 3.50 1.0
ASSI (RESI 110 AND NAME HG11) (RESI 12 AND NAME HA1 ) 3.58 3.58 1.0
ASSI (RESI 110 AND NAME HG12) (RESI 12 AND NAME HA1 ) 3.69 3.69 1.0
ASSI (RESI 110 AND NAME HG2#) (RESI 12 AND NAME HA1 ) 4.28 4.28 1.0
ASSI (RESI 110 AND NAME HD1#) (RESI 12 AND NAME HA2 ) 4.22 4.22 1.0
ASSI (RESI 110 AND NAME HG11) (RESI 12 AND NAME HA2 ) 3.85 3.85 1.0
ASSI (RESI 110 AND NAME HG12) (RESI 12 AND NAME HA2 ) 3.55 3.55 1.0
ASSI (RESI 110 AND NAME HG2#) (RESI 12 AND NAME HA2 ) 3.67 3.67 1.0
ASSI (RESI 110 AND NAME HA ) (RESI 12 AND NAME HN ) 4.41 4.41 1.0
ASSI (RESI 110 AND NAME HG11) (RESI 12 AND NAME HN ) 4.72 4.72 1.0
ASSI (RESI 110 AND NAME HG12) (RESI 12 AND NAME HN ) 4.63 4.63 1.0
ASSI (RESI 109 AND NAME HB ) (RESI 13 AND NAME HD2 ) 5.66 5.66 1.0
ASSI (RESI 109 AND NAME HG1#) (RESI 13 AND NAME HD2 ) 4.01 4.01 1.0
ASSI (RESI 109 AND NAME HG2#) (RESI 13 AND NAME HD2 ) 2.64 2.64 1.0
ASSI (RESI 109 AND NAME HB ) (RESI 13 AND NAME HE1 ) 4.66 4.66 1.0
ASSI (RESI 109 AND NAME HG1#) (RESI 13 AND NAME HE1 ) 4.55 4.55 1.0
ASSI (RESI 109 AND NAME HG2#) (RESI 13 AND NAME HE1 ) 2.10 2.10 1.0
ASSI (RESI 110 AND NAME HA ) (RESI 13 AND NAME HN ) 5.07 5.07 1.0
ASSI (RESI 110 AND NAME HG11) (RESI 13 AND NAME HN ) 4.39 4.39 1.0
ASSI (RESI 110 AND NAME HG12) (RESI 13 AND NAME HN ) 5.38 5.38 1.0
ASSI (RESI 108 AND NAME HB# ) (RESI 14 AND NAME HA ) 4.11 4.11 1.0
ASSI (RESI 53 AND NAME HA ) (RESI 14 AND NAME HD# ) 3.38 3.38 1.0
ASSI (RESI 53 AND NAME HB ) (RESI 14 AND NAME HD# ) 2.91 2.91 1.0
ASSI (RESI 53 AND NAME HG2#) (RESI 14 AND NAME HD# ) 2.93 2.93 1.0
ASSI (RESI 54 AND NAME HD# ) (RESI 14 AND NAME HD# ) 4.76 4.76 1.0
ASSI (RESI 100 AND NAME HE1 ) (RESI 14 AND NAME HD# ) 4.81 4.81 1.0
ASSI (RESI 100 AND NAME HE2 ) (RESI 14 AND NAME HD# ) 4.97 4.97 1.0
ASSI (RESI 108 AND NAME HB# ) (RESI 14 AND NAME HD# ) 3.12 3.12 1.0
ASSI (RESI 49 AND NAME HD2#) (RESI 14 AND NAME HE# ) 5.53 5.53 1.0
ASSI (RESI 53 AND NAME HA ) (RESI 14 AND NAME HE# ) 2.74 2.74 1.0
ASSI (RESI 53 AND NAME HB ) (RESI 14 AND NAME HE# ) 4.72 4.72 1.0
ASSI (RESI 53 AND NAME HG2#) (RESI 14 AND NAME HE# ) 2.23 2.23 1.0
ASSI (RESI 54 AND NAME HD# ) (RESI 14 AND NAME HE# ) 5.49 5.49 1.0
ASSI (RESI 100 AND NAME HE1 ) (RESI 14 AND NAME HE# ) 3.37 3.37 1.0
ASSI (RESI 100 AND NAME HE2 ) (RESI 14 AND NAME HE# ) 3.26 3.26 1.0
ASSI (RESI 108 AND NAME HB# ) (RESI 14 AND NAME HE# ) 5.20 5.20 1.0
ASSI (RESI 109 AND NAME HB ) (RESI 15 AND NAME HB1 ) 5.06 5.06 1.0
ASSI (RESI 109 AND NAME HG1#) (RESI 15 AND NAME HB1 ) 2.92 2.92 1.0
ASSI (RESI 109 AND NAME HG2#) (RESI 15 AND NAME HB1 ) 2.39 2.39 1.0
ASSI (RESI 109 AND NAME HB ) (RESI 15 AND NAME HB2 ) 5.05 5.05 1.0
ASSI (RESI 109 AND NAME HG1#) (RESI 15 AND NAME HB2 ) 4.16 4.16 1.0
ASSI (RESI 109 AND NAME HG2#) (RESI 15 AND NAME HB2 ) 2.73 2.73 1.0
ASSI (RESI 108 AND NAME HA ) (RESI 15 AND NAME HN ) 3.02 3.02 1.0
ASSI (RESI 109 AND NAME HG2#) (RESI 15 AND NAME HN ) 4.53 4.53 1.0
ASSI (RESI 109 AND NAME HG2#) (RESI 18 AND NAME HB2 ) 4.19 4.19 1.0
ASSI (RESI 105 AND NAME HB# ) (RESI 19 AND NAME HB ) 4.12 4.12 1.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 19 AND NAME HB ) 2.60 2.60 1.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 19 AND NAME HB ) 2.44 2.44 1.0
ASSI (RESI 106 AND NAME HA ) (RESI 19 AND NAME HG1 ) 4.93 4.93 1.0
ASSI (RESI 106 AND NAME HB1 ) (RESI 19 AND NAME HG1 ) 3.79 3.79 1.0
ASSI (RESI 106 AND NAME HB2 ) (RESI 19 AND NAME HG1 ) 4.01 4.01 1.0
ASSI (RESI 105 AND NAME HB# ) (RESI 19 AND NAME HG2# ) 3.06 3.06 1.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 19 AND NAME HG2# ) 2.97 2.97 1.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 19 AND NAME HG2# ) 2.96 2.96 1.0
ASSI (RESI 107 AND NAME HA ) (RESI 19 AND NAME HG2# ) 4.13 4.13 1.0
ASSI (RESI 106 AND NAME HB2 ) (RESI 20 AND NAME HB1 ) 5.22 5.22 1.0
ASSI (RESI 63 AND NAME HA ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 4.56 4.56 1.0
ASSI (RESI 63 AND NAME HB ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 2.36 2.36 1.0
ASSI (RESI 63 AND NAME HG2#) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 1.65 1.65 1.0
! Additional four intermolecular NOE's in final iteration of structure determination
ASSI (RESI 65 AND NAME HD1#) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 2.30 2.30 1.0
ASSI (RESI 65 AND NAME HD1# ) (RESI 20 AND NAME HB2 ) 3.78 3.78 1.0
ASSI (RESI 97 AND NAME HB1 ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 4.30 4.30 1.0
ASSI (RESI 97 AND NAME HB2 ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 3.39 3.39 1.0
!
ASSI (RESI 105 AND NAME HA ) (RESI 21 AND NAME HA ) 2.38 2.38 1.0
ASSI (RESI 105 AND NAME HB# ) (RESI 21 AND NAME HA ) 3.82 3.82 1.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 21 AND NAME HA ) 4.70 4.70 1.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 21 AND NAME HA ) 4.44 4.44 1.0
ASSI (RESI 105 AND NAME HB# ) (RESI 21 AND NAME HB1 ) 6.47 6.47 1.0
ASSI (RESI 105 AND NAME HB# ) (RESI 21 AND NAME HB2 ) 4.01 4.01 1.0
ASSI (RESI 104 AND NAME HA ) (RESI 22 AND NAME HB1 ) 4.40 4.40 1.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 22 AND NAME HB1 ) 4.09 4.09 1.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 22 AND NAME HB1 ) 4.27 4.27 1.0
ASSI (RESI 104 AND NAME HA ) (RESI 22 AND NAME HB2 ) 4.10 4.10 1.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 22 AND NAME HB2 ) 4.05 4.05 1.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 22 AND NAME HB2 ) 5.26 5.26 1.0
ASSI (RESI 61 AND NAME HE2 ) (RESI 22 AND NAME HD1# ) 4.15 4.15 1.0
ASSI (RESI 63 AND NAME HG2#) (RESI 22 AND NAME HD1# ) 2.99 2.99 1.0
ASSI (RESI 104 AND NAME HA ) (RESI 22 AND NAME HD1# ) 6.38 6.38 1.0
ASSI (RESI 61 AND NAME HD1 ) (RESI 22 AND NAME HD2# ) 4.23 4.23 1.0
ASSI (RESI 61 AND NAME HD2 ) (RESI 22 AND NAME HD2# ) 4.18 4.18 1.0
ASSI (RESI 61 AND NAME HE1 ) (RESI 22 AND NAME HD2# ) 2.65 2.65 1.0
ASSI (RESI 61 AND NAME HE2 ) (RESI 22 AND NAME HD2# ) 2.04 2.04 1.0
ASSI (RESI 104 AND NAME HA ) (RESI 22 AND NAME HD2# ) 3.03 3.03 1.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 22 AND NAME HD2# ) 4.89 4.89 1.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 22 AND NAME HD2# ) 4.56 4.56 1.0
ASSI (RESI 104 AND NAME HA ) (RESI 22 AND NAME HN ) 5.17 5.17 1.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 22 AND NAME HN ) 4.39 4.39 1.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 22 AND NAME HN ) 5.08 5.08 1.0
ASSI (RESI 105 AND NAME HA ) (RESI 22 AND NAME HN ) 3.58 3.58 1.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 23 AND NAME HD21 ) 5.46 5.46 1.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 23 AND NAME HD22 ) 5.62 5.62 1.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 23 AND NAME HD22 ) 5.61 5.61 1.0
!
! 3.
! CHIPS complex CHIPS-C5aR(P7-28S) intermolecular distance restraints.
! 3D-13C-edited-13C filtered HSQC-NOESY alifatic (900 MHz, expno20, 200 ms mixing time).
! Spin diffusion low intensity peaks translated into distance restraints using
! empirical R^4.5 translation, i.e. just inbetween R^3 and R^6 relaxation averaging.
! Intensity of the HG2# Thr53 - HE# sTyr14 NOE peak is scaled to a yardstick distance
! of approx. 2.2 angstrom.
!
ASSI (RESI 44 AND NAME HD1 ) (RESI 11 AND NAME HE# ) 4.89 4.89 1.0
!ASSI (RESI 45 AND NAME HA ) (RESI 11 AND NAME HD# ) 4.88 4.88 1.0 ! Spin diffusion
!ASSI (RESI 45 AND NAME HD2# ) (RESI 11 AND NAME HD# ) 4.55 4.55 1.0 ! Spin diffusion
!ASSI (RESI 45 AND NAME HD2# ) (RESI 11 AND NAME HE# ) 4.25 4.25 1.0 ! Spin diffusion
ASSI (RESI 47 AND NAME HA ) (RESI 11 AND NAME HD# ) 5.03 5.03 1.0
ASSI (RESI 47 AND NAME HB1 ) (RESI 11 AND NAME HD# ) 5.60 5.60 1.0
ASSI (RESI 47 AND NAME HB1 ) (RESI 11 AND NAME HE# ) 6.02 6.02 1.0
ASSI (RESI 47 AND NAME HB2 ) (RESI 11 AND NAME HD# ) 5.64 5.64 1.0
ASSI (RESI 47 AND NAME HB2 ) (RESI 11 AND NAME HE# ) 4.77 4.77 1.0
ASSI (RESI 48 AND NAME HA ) (RESI 11 AND NAME HB1 ) 4.65 4.65 1.0
ASSI (RESI 48 AND NAME HA ) (RESI 11 AND NAME HB2 ) 4.31 4.31 1.0
ASSI (RESI 48 AND NAME HA ) (RESI 11 AND NAME HD# ) 2.78 2.78 1.0
ASSI (RESI 48 AND NAME HA ) (RESI 11 AND NAME HE# ) 3.19 3.19 1.0
ASSI (RESI 48 AND NAME HB1 ) (RESI 11 AND NAME HD# ) 3.62 3.62 1.0
ASSI (RESI 48 AND NAME HB1 ) (RESI 11 AND NAME HE# ) 4.45 4.45 1.0
ASSI (RESI 48 AND NAME HB2 ) (RESI 11 AND NAME HD# ) 3.34 3.34 1.0
ASSI (RESI 48 AND NAME HB2 ) (RESI 11 AND NAME HE# ) 4.09 4.09 1.0
ASSI (RESI 49 AND NAME HA ) (RESI 11 AND NAME HD# ) 5.32 5.32 1.0
ASSI (RESI 49 AND NAME HA ) (RESI 14 AND NAME HE# ) 5.27 5.27 1.0
ASSI (RESI 49 AND NAME HD1# ) (RESI 14 AND NAME HE# ) 5.31 5.31 1.0
ASSI (RESI 49 AND NAME HD2# ) (RESI 14 AND NAME HD# ) 4.93 4.93 1.0
ASSI (RESI 49 AND NAME HD2# ) (RESI 14 AND NAME HE# ) 3.83 3.83 1.0
ASSI (RESI 51 AND NAME HA ) (RESI 11 AND NAME HB1 ) 5.13 5.13 1.0
ASSI (RESI 51 AND NAME HA ) (RESI 11 AND NAME HB2 ) 5.30 5.30 1.0
ASSI (RESI 51 AND NAME HA ) (RESI 11 AND NAME HD# ) 3.95 3.95 1.0
ASSI (RESI 51 AND NAME HA ) (RESI 11 AND NAME HE# ) 3.94 3.94 1.0
ASSI (RESI 51 AND NAME HB# ) (RESI 11 AND NAME HB1 ) 4.35 4.35 1.0
ASSI (RESI 51 AND NAME HB# ) (RESI 11 AND NAME HB2 ) 4.18 4.18 1.0
ASSI (RESI 51 AND NAME HB# ) (RESI 11 AND NAME HD# ) 2.95 2.95 1.0
ASSI (RESI 51 AND NAME HB# ) (RESI 11 AND NAME HE# ) 2.96 2.96 1.0
ASSI (RESI 51 AND NAME HB# ) (RESI 11 AND NAME H ) 5.93 5.93 1.0
ASSI (RESI 51 AND NAME HD# ) (RESI 11 AND NAME HB1 ) 5.07 5.07 1.0
ASSI (RESI 51 AND NAME HD# ) (RESI 11 AND NAME HB2 ) 4.79 4.79 1.0
ASSI (RESI 51 AND NAME HD# ) (RESI 11 AND NAME HD# ) 3.08 3.08 1.0
ASSI (RESI 51 AND NAME HD# ) (RESI 11 AND NAME HE# ) 2.63 2.63 1.0
ASSI (RESI 51 AND NAME HE# ) (RESI 11 AND NAME HD# ) 3.47 3.47 1.0
ASSI (RESI 51 AND NAME HE# ) (RESI 11 AND NAME HE# ) 3.06 3.06 1.0
ASSI (RESI 51 AND NAME HG# ) (RESI 11 AND NAME HB1 ) 5.07 5.07 1.0
ASSI (RESI 51 AND NAME HG# ) (RESI 11 AND NAME HB2 ) 4.77 4.77 1.0
ASSI (RESI 51 AND NAME HG# ) (RESI 11 AND NAME HD# ) 3.28 3.28 1.0
ASSI (RESI 51 AND NAME HG# ) (RESI 11 AND NAME HE# ) 3.06 3.06 1.0
ASSI (RESI 52 AND NAME HA1 ) (RESI 11 AND NAME HB1 ) 4.67 4.67 1.0
ASSI (RESI 52 AND NAME HA1 ) (RESI 11 AND NAME HB2 ) 4.21 4.21 1.0
ASSI (RESI 52 AND NAME HA1 ) (RESI 11 AND NAME HD# ) 4.10 4.10 1.0
ASSI (RESI 52 AND NAME HA1 ) (RESI 11 AND NAME HE# ) 5.01 5.01 1.0
ASSI (RESI 52 AND NAME HA1 ) (RESI 11 AND NAME H ) 5.57 5.57 1.0
ASSI (RESI 52 AND NAME HA1 ) (RESI 12 AND NAME HN ) 5.76 5.76 1.0
ASSI (RESI 52 AND NAME HA2 ) (RESI 11 AND NAME HB1 ) 4.35 4.35 1.0
ASSI (RESI 52 AND NAME HA2 ) (RESI 11 AND NAME HB2 ) 4.07 4.07 1.0
ASSI (RESI 52 AND NAME HA2 ) (RESI 11 AND NAME HD# ) 3.78 3.78 1.0
ASSI (RESI 52 AND NAME HA2 ) (RESI 11 AND NAME HE# ) 4.50 4.50 1.0
ASSI (RESI 52 AND NAME HA2 ) (RESI 11 AND NAME H ) 5.63 5.63 1.0
ASSI (RESI 52 AND NAME HA2 ) (RESI 12 AND NAME HN ) 5.29 5.29 1.0
ASSI (RESI 53 AND NAME HA ) (RESI 14 AND NAME HD# ) 3.58 3.58 1.0
ASSI (RESI 53 AND NAME HA ) (RESI 14 AND NAME HE# ) 2.38 2.38 1.0
ASSI (RESI 53 AND NAME HB ) (RESI 14 AND NAME HD# ) 4.80 4.80 1.0
ASSI (RESI 53 AND NAME HB ) (RESI 14 AND NAME HE# ) 3.16 3.16 1.0
ASSI (RESI 53 AND NAME HG2# ) (RESI 14 AND NAME HD# ) 3.25 3.25 1.0
ASSI (RESI 53 AND NAME HG2# ) (RESI 14 AND NAME HE# ) 2.21 2.21 1.0
ASSI (RESI 53 AND NAME HG2# ) (RESI 14 AND NAME H ) 4.96 4.96 1.0
ASSI (RESI 54 AND NAME HA ) (RESI 14 AND NAME HE# ) 4.12 4.12 1.0
ASSI (RESI 54 AND NAME HB# ) (RESI 14 AND NAME HE# ) 6.0 6.0 1.0 ! overlap 3.82 --> 6.0
ASSI (RESI 54 AND NAME HB# ) (RESI 14 AND NAME HD# ) 5.26 5.26 1.0
ASSI (RESI 54 AND NAME HD# ) (RESI 14 AND NAME HD# ) 5.02 5.02 1.0
ASSI (RESI 54 AND NAME HD# ) (RESI 14 AND NAME HE# ) 3.92 3.92 1.0
ASSI (RESI 54 AND NAME HE# ) (RESI 14 AND NAME HE# ) 3.81 3.81 1.0
ASSI (RESI 54 AND NAME HG# ) (RESI 14 AND NAME HE# ) 4.11 4.11 1.0
ASSI (RESI 54 AND NAME HG1 ) (RESI 14 AND NAME HD# ) 4.84 4.84 1.0
ASSI (RESI 56 AND NAME HA ) (RESI 14 AND NAME HE# ) 4.99 4.99 1.0
ASSI (RESI 58 AND NAME HG1 ) (RESI 14 AND NAME HE# ) 5.09 5.09 1.0
ASSI (RESI 58 AND NAME HG2 ) (RESI 14 AND NAME HE# ) 5.14 5.14 1.0
ASSI (RESI 61 AND NAME HB1 ) (RESI 22 AND NAME HD2# ) 5.85 5.85 1.0
ASSI (RESI 61 AND NAME HB2 ) (RESI 22 AND NAME HD2# ) 5.07 5.07 1.0
ASSI (RESI 61 AND NAME HD1 ) (RESI 22 AND NAME HD1# ) 5.36 5.36 1.0
ASSI (RESI 61 AND NAME HD1 ) (RESI 22 AND NAME HD2# ) 3.95 3.95 1.0
ASSI (RESI 61 AND NAME HD2 ) (RESI 22 AND NAME HD1# ) 4.60 4.60 1.0
ASSI (RESI 61 AND NAME HD2 ) (RESI 22 AND NAME HD2# ) 3.63 3.63 1.0
ASSI (RESI 61 AND NAME HE1 ) (RESI 22 AND NAME HB2 ) 5.44 5.44 1.0
ASSI (RESI 61 AND NAME HE1 ) (RESI 22 AND NAME HD1# ) 4.24 4.24 1.0
ASSI (RESI 61 AND NAME HE1 ) (RESI 22 AND NAME HD2# ) 2.97 2.97 1.0
ASSI (RESI 61 AND NAME HE2 ) (RESI 22 AND NAME HB2 ) 4.83 4.83 1.0
ASSI (RESI 61 AND NAME HE2 ) (RESI 22 AND NAME HD1# ) 3.99 3.99 1.0
ASSI (RESI 61 AND NAME HE2 ) (RESI 22 AND NAME HD2# ) 2.60 2.60 1.0
ASSI (RESI 61 AND NAME HG1 ) (RESI 22 AND NAME HD1# ) 5.33 5.33 1.0
ASSI (RESI 61 AND NAME HG1 ) (RESI 22 AND NAME HD2# ) 4.71 4.71 1.0
ASSI (RESI 61 AND NAME HG2 ) (RESI 22 AND NAME HD1# ) 5.60 5.60 1.0
ASSI (RESI 61 AND NAME HG2 ) (RESI 22 AND NAME HD2# ) 4.32 4.32 1.0
ASSI (RESI 63 AND NAME HA ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 4.05 4.05 1.0
ASSI (RESI 63 AND NAME HA ) (RESI 22 AND NAME HD1# ) 5.01 5.01 1.0
ASSI (RESI 63 AND NAME HB ) (RESI 20 AND NAME HB1 ) 4.86 4.86 1.0
ASSI (RESI 63 AND NAME HB ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 2.72 2.72 1.0
ASSI (RESI 63 AND NAME HB ) (RESI 22 AND NAME HB2 ) 5.55 5.55 1.0
ASSI (RESI 63 AND NAME HB ) (RESI 22 AND NAME HD1# ) 4.29 4.29 1.0
ASSI (RESI 63 AND NAME HB ) (RESI 22 AND NAME HD2# ) 4.50 4.50 1.0
ASSI (RESI 63 AND NAME HG1# ) (RESI 20 AND NAME HB1 ) 4.89 4.89 1.0
ASSI (RESI 63 AND NAME HG1# ) (RESI 20 AND NAME HB2 ) 4.97 4.97 1.0
ASSI (RESI 63 AND NAME HG1# ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 2.35 2.35 1.0
ASSI (RESI 63 AND NAME HG1# ) (RESI 20 AND NAME HG ) 4.54 4.54 1.0
ASSI (RESI 63 AND NAME HG1# ) (RESI 22 AND NAME HB2 ) 3.99 3.99 1.0
ASSI (RESI 63 AND NAME HG1# ) (RESI 22 AND NAME HD1# ) 2.59 2.59 1.0
ASSI (RESI 63 AND NAME HG1# ) (RESI 22 AND NAME HD2# ) 2.72 2.72 1.0
! ASSI (RESI 63 AND NAME HG1# ) (RESI 22 AND NAME HN ) 4.78 4.78 1.0 ! spin diffusion
ASSI (RESI 63 AND NAME HG2# ) (RESI 20 AND NAME HB1 ) 4.48 4.48 1.0
ASSI (RESI 63 AND NAME HG2# ) (RESI 20 AND NAME HB2 ) 5.07 5.07 1.0
ASSI (RESI 63 AND NAME HG2# ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 2.06 2.06 1.0
ASSI (RESI 63 AND NAME HG2# ) (RESI 20 AND NAME HG ) 5.26 5.26 1.0
ASSI (RESI 63 AND NAME HG2# ) (RESI 22 AND NAME HB2 ) 5.08 5.08 1.0
ASSI (RESI 63 AND NAME HG2# ) (RESI 22 AND NAME HD1# ) 3.38 3.38 1.0
ASSI (RESI 63 AND NAME HG2# ) (RESI 22 AND NAME HD2# ) 3.83 3.83 1.0
ASSI (RESI 64 AND NAME HA ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 5.05 5.05 1.0
ASSI (RESI 65 AND NAME HA ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 5.15 5.15 1.0
ASSI (RESI 65 AND NAME HB1 ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 5.74 5.74 1.0
ASSI (RESI 65 AND NAME HB2 ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 4.91 4.91 1.0
ASSI (RESI 65 AND NAME HD1# ) (RESI 20 AND NAME HB1 ) 3.65 3.65 1.0
ASSI (RESI 65 AND NAME HD1# ) (RESI 20 AND NAME HB2 ) 4.72 4.72 1.0
ASSI (RESI 65 AND NAME HD1# ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 2.37 2.37 1.0
ASSI (RESI 65 AND NAME HD1# ) (RESI 20 AND NAME HN ) 5.06 5.06 1.0
ASSI (RESI 65 AND NAME HD1# ) (RESI 21 AND NAME HN ) 5.24 5.24 1.0
ASSI (RESI 65 AND NAME HD2# ) (RESI 20 AND NAME HB2 ) 5.31 5.31 1.0
ASSI (RESI 65 AND NAME HD2# ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 2.25 2.25 1.0
ASSI (RESI 65 AND NAME HG ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 3.55 3.55 1.0
ASSI (RESI 71 AND NAME HE# ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 2.73 2.73 1.0
ASSI (RESI 71 AND NAME HE# ) (RESI 22 AND NAME HD1# ) 3.85 3.85 1.0
ASSI (RESI 71 AND NAME HE# ) (RESI 22 AND NAME HD2# ) 4.85 4.85 1.0
ASSI (RESI 73 AND NAME HA ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 5.14 5.14 1.0
ASSI (RESI 73 AND NAME HA ) (RESI 22 AND NAME HD1# ) 7.33 7.33 1.0
! ASSI (RESI 73 AND NAME HG2# ) (RESI 22 AND NAME HB2 ) 5.37 5.37 1.0 ! spin diffusion
ASSI (RESI 73 AND NAME HG2# ) (RESI 22 AND NAME HD1# ) 3.94 3.94 1.0
ASSI (RESI 73 AND NAME HG2# ) (RESI 22 AND NAME HD2# ) 3.70 3.70 1.0
ASSI (RESI 75 AND NAME HE# ) (RESI 22 AND NAME HD2# ) 5.58 5.58 1.0
ASSI (RESI 93 AND NAME HE# ) (RESI 11 AND NAME HD# ) 5.16 5.16 1.0
ASSI (RESI 93 AND NAME HE# ) (RESI 11 AND NAME HE# ) 4.38 4.38 1.0
ASSI (RESI 96 AND NAME HA ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 4.79 4.79 1.0
ASSI (RESI 97 AND NAME HA ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 4.07 4.07 1.0
ASSI (RESI 97 AND NAME HB1 ) (RESI 19 AND NAME HG1 ) 4.73 4.73 1.0
ASSI (RESI 97 AND NAME HB1 ) (RESI 20 AND NAME HB1 ) 4.87 4.87 1.0
ASSI (RESI 97 AND NAME HB1 ) (RESI 20 AND NAME HB2 ) 5.61 5.61 1.0
ASSI (RESI 97 AND NAME HB1 ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 3.55 3.55 1.0
ASSI (RESI 97 AND NAME HB1 ) (RESI 20 AND NAME HN ) 4.89 4.89 1.0
ASSI (RESI 97 AND NAME HB1 ) (RESI 22 AND NAME HD1# ) 5.67 5.67 1.0
ASSI (RESI 97 AND NAME HB2 ) (RESI 19 AND NAME HG1 ) 4.92 4.92 1.0
ASSI (RESI 97 AND NAME HB2 ) (RESI 20 AND NAME HB1 ) 5.07 5.07 1.0
ASSI (RESI 97 AND NAME HB2 ) (RESI 20 AND NAME HB2 ) 5.13 5.13 1.0
ASSI (RESI 97 AND NAME HB2 ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 3.41 3.41 1.0
ASSI (RESI 97 AND NAME HB2 ) (RESI 20 AND NAME HN ) 4.84 4.84 1.0
ASSI (RESI 97 AND NAME HB2 ) (RESI 22 AND NAME HD1# ) 5.85 5.85 1.0
ASSI (RESI 97 AND NAME HB2 ) (RESI 22 AND NAME HN ) 6.36 6.36 1.0
ASSI (RESI 97 AND NAME HD# ) (RESI 20 AND NAME HB2 ) 5.26 5.26 1.0
ASSI (RESI 97 AND NAME HE# ) (RESI 20 AND NAME HB1 ) 4.55 4.55 1.0
ASSI (RESI 97 AND NAME HE# ) (RESI 20 AND NAME HB2 ) 4.80 4.80 1.0
ASSI (RESI 97 AND NAME HE# ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 3.07 3.07 1.0
ASSI (RESI 99 AND NAME HB1 ) (RESI 22 AND NAME HD2# ) 5.47 5.47 1.0
ASSI (RESI 99 AND NAME HB2 ) (RESI 22 AND NAME HD2# ) 5.08 5.08 1.0
ASSI (RESI 100 AND NAME HD1 ) (RESI 14 AND NAME HE# ) 4.40 4.40 1.0
ASSI (RESI 100 AND NAME HD2 ) (RESI 14 AND NAME HE# ) 4.41 4.41 1.0
ASSI (RESI 100 AND NAME HE1 ) (RESI 14 AND NAME HD# ) 3.73 3.73 1.0
ASSI (RESI 100 AND NAME HE1 ) (RESI 14 AND NAME HE# ) 2.94 2.94 1.0
ASSI (RESI 100 AND NAME HE2 ) (RESI 14 AND NAME HD# ) 4.09 4.09 1.0
ASSI (RESI 100 AND NAME HE2 ) (RESI 14 AND NAME HE# ) 2.99 2.99 1.0
ASSI (RESI 100 AND NAME HG1 ) (RESI 14 AND NAME HE# ) 4.87 4.87 1.0
ASSI (RESI 100 AND NAME HG2 ) (RESI 14 AND NAME HE# ) 4.97 4.97 1.0
ASSI (RESI 104 AND NAME HA ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 5.56 5.56 1.0
ASSI (RESI 104 AND NAME HA ) (RESI 22 AND NAME HB1 ) 3.92 3.92 1.0
ASSI (RESI 104 AND NAME HA ) (RESI 22 AND NAME HB2 ) 3.75 3.75 1.0
ASSI (RESI 104 AND NAME HA ) (RESI 22 AND NAME HD1# ) 4.22 4.22 1.0
ASSI (RESI 104 AND NAME HA ) (RESI 22 AND NAME HD2# ) 3.05 3.05 1.0
ASSI (RESI 104 AND NAME HA ) (RESI 22 AND NAME HN ) 4.36 4.36 1.0
ASSI (RESI 104 AND NAME HA ) (RESI 23 AND NAME HB1 ) 5.69 5.69 1.0
ASSI (RESI 104 AND NAME HA ) (RESI 23 AND NAME HB2 ) 5.77 5.77 1.0
ASSI (RESI 104 AND NAME HA ) (RESI 23 AND NAME HD21 ) 5.86 5.86 1.0
ASSI (RESI 104 AND NAME HA ) (RESI 23 AND NAME HN ) 5.11 5.11 1.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 22 AND NAME HB1 ) 4.10 4.10 1.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 22 AND NAME HB2 ) 3.92 3.92 1.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 22 AND NAME HD1# ) 4.72 4.72 1.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 22 AND NAME HD2# ) 3.88 3.88 1.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 22 AND NAME HN ) 4.32 4.32 1.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 23 AND NAME HB1 ) 4.45 4.45 1.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 23 AND NAME HB2 ) 4.67 4.67 1.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 23 AND NAME HD21 ) 5.40 5.40 1.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 23 AND NAME HD22 ) 4.47 4.47 1.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 23 AND NAME HN ) 4.76 4.76 1.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 22 AND NAME HB1 ) 4.11 4.11 1.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 22 AND NAME HB2 ) 4.00 4.00 1.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 22 AND NAME HD1# ) 4.73 4.73 1.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 22 AND NAME HD2# ) 4.19 4.19 1.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 22 AND NAME HN ) 4.38 4.38 1.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 23 AND NAME HB1 ) 4.75 4.75 1.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 23 AND NAME HB2 ) 4.61 4.61 1.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 23 AND NAME HD21 ) 5.06 5.06 1.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 23 AND NAME HD22 ) 4.46 4.46 1.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 23 AND NAME HN ) 4.98 4.98 1.0
ASSI (RESI 105 AND NAME HA ) (RESI 19 AND NAME HB ) 4.88 4.88 1.0
ASSI (RESI 105 AND NAME HA ) (RESI 19 AND NAME HG2# ) 5.10 5.10 1.0
ASSI (RESI 105 AND NAME HA ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 4.18 4.18 1.0
ASSI (RESI 105 AND NAME HA ) (RESI 20 AND NAME HN ) 4.39 4.39 1.0
ASSI (RESI 105 AND NAME HA ) (RESI 21 AND NAME HA ) 3.87 3.87 1.0
ASSI (RESI 105 AND NAME HA ) (RESI 21 AND NAME HB1 ) 4.48 4.48 1.0
ASSI (RESI 105 AND NAME HA ) (RESI 21 AND NAME HB2 ) 4.17 4.17 1.0
ASSI (RESI 105 AND NAME HA ) (RESI 21 AND NAME HN ) 4.42 4.42 1.0
ASSI (RESI 105 AND NAME HA ) (RESI 22 AND NAME HB2 ) 4.54 4.54 1.0
ASSI (RESI 105 AND NAME HA ) (RESI 22 AND NAME HD1# ) 4.90 4.90 1.0
ASSI (RESI 105 AND NAME HA ) (RESI 22 AND NAME HD2# ) 4.85 4.85 1.0
ASSI (RESI 105 AND NAME HA ) (RESI 22 AND NAME HN ) 3.69 3.69 1.0
ASSI (RESI 105 AND NAME HA ) (RESI 23 AND NAME HN ) 6.19 6.19 1.0
ASSI (RESI 105 AND NAME HB# ) (RESI 19 AND NAME HB ) 4.15 4.15 1.0
ASSI (RESI 105 AND NAME HB# ) (RESI 19 AND NAME HG2# ) 3.72 3.72 1.0
ASSI (RESI 105 AND NAME HB# ) (RESI 20 AND NAME HN ) 4.58 4.58 1.0
ASSI (RESI 105 AND NAME HB# ) (RESI 21 AND NAME HA ) 4.83 4.83 1.0
ASSI (RESI 105 AND NAME HB# ) (RESI 21 AND NAME HB1 ) 4.75 4.75 1.0
ASSI (RESI 105 AND NAME HB# ) (RESI 21 AND NAME HB2 ) 4.89 4.89 1.0
ASSI (RESI 105 AND NAME HB# ) (RESI 21 AND NAME HN ) 5.21 5.21 1.0
ASSI (RESI 105 AND NAME HB# ) (RESI 22 AND NAME HN ) 4.57 4.57 1.0
ASSI (RESI 105 AND NAME HD# ) (RESI 19 AND NAME HB ) 3.57 3.57 1.0
ASSI (RESI 105 AND NAME HD# ) (RESI 19 AND NAME HG2# ) 2.86 2.86 1.0
ASSI (RESI 105 AND NAME HD# ) (RESI 20 AND NAME HN ) 4.66 4.66 1.0
ASSI (RESI 105 AND NAME HD# ) (RESI 21 AND NAME HA ) 5.05 5.05 1.0
ASSI (RESI 105 AND NAME HD# ) (RESI 21 AND NAME HB1 ) 4.20 4.20 1.0
ASSI (RESI 105 AND NAME HD# ) (RESI 21 AND NAME HB2 ) 3.89 3.89 1.0
ASSI (RESI 105 AND NAME HD# ) (RESI 21 AND NAME HN ) 4.68 4.68 1.0
ASSI (RESI 105 AND NAME HD# ) (RESI 22 AND NAME HN ) 4.82 4.82 1.0
ASSI (RESI 105 AND NAME HE# ) (RESI 19 AND NAME HB ) 3.80 3.80 1.0
ASSI (RESI 105 AND NAME HE# ) (RESI 19 AND NAME HG2# ) 2.91 2.91 1.0
ASSI (RESI 105 AND NAME HE# ) (RESI 21 AND NAME HA ) 5.43 5.43 1.0
ASSI (RESI 105 AND NAME HE# ) (RESI 21 AND NAME HB2 ) 3.89 3.89 1.0
ASSI (RESI 105 AND NAME HE# ) (RESI 21 AND NAME HN ) 4.68 4.68 1.0
ASSI (RESI 105 AND NAME HE# ) (RESI 22 AND NAME HN ) 5.42 5.42 1.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 19 AND NAME HB ) 3.63 3.63 1.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 19 AND NAME HG2# ) 3.53 3.53 1.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 20 AND NAME HN ) 4.51 4.51 1.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 21 AND NAME HA ) 4.92 4.92 1.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 21 AND NAME HB1 ) 4.89 4.89 1.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 21 AND NAME HB2 ) 4.29 4.29 1.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 21 AND NAME HN ) 5.13 5.13 1.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 22 AND NAME HN ) 4.96 4.96 1.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 19 AND NAME HB ) 3.48 3.48 1.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 19 AND NAME HG2# ) 3.51 3.51 1.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 20 AND NAME HN ) 4.34 4.34 1.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 21 AND NAME HA ) 5.09 5.09 1.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 21 AND NAME HB1 ) 4.90 4.90 1.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 21 AND NAME HB2 ) 4.05 4.05 1.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 21 AND NAME HN ) 4.77 4.77 1.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 22 AND NAME HN ) 4.74 4.74 1.0
ASSI (RESI 106 AND NAME HA ) (RESI 19 AND NAME HG1 ) 4.31 4.31 1.0
ASSI (RESI 106 AND NAME HA ) (RESI 19 AND NAME HG2# ) 5.40 5.40 1.0
ASSI (RESI 106 AND NAME HA ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 4.89 4.89 1.0
ASSI (RESI 106 AND NAME HA ) (RESI 20 AND NAME HN ) 4.82 4.82 1.0
ASSI (RESI 106 AND NAME HB1 ) (RESI 19 AND NAME HG1 ) 4.45 4.45 1.0
ASSI (RESI 106 AND NAME HB1 ) (RESI 19 AND NAME HG2# ) 6.33 6.33 1.0
ASSI (RESI 106 AND NAME HB1 ) (RESI 20 AND NAME HB1 ) 5.60 5.60 1.0
ASSI (RESI 106 AND NAME HB1 ) (RESI 20 AND NAME HB2 ) 5.88 5.88 1.0
ASSI (RESI 106 AND NAME HB1 ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 4.67 4.67 1.0
ASSI (RESI 106 AND NAME HB1 ) (RESI 20 AND NAME HN ) 4.69 4.69 1.0
ASSI (RESI 106 AND NAME HB2 ) (RESI 19 AND NAME HG1 ) 4.48 4.48 1.0
ASSI (RESI 106 AND NAME HB2 ) (RESI 19 AND NAME HG2# ) 5.34 5.34 1.0
ASSI (RESI 106 AND NAME HB2 ) (RESI 20 AND NAME HB1 ) 5.35 5.35 1.0
ASSI (RESI 106 AND NAME HB2 ) (RESI 20 AND NAME HB2 ) 5.85 5.85 1.0
ASSI (RESI 106 AND NAME HB2 ) ((RESI 20 AND NAME HD1# ) or (RESI 20 AND NAME HD2# )) 4.32 4.32 1.0
ASSI (RESI 106 AND NAME HB2 ) (RESI 20 AND NAME HN ) 4.78 4.78 1.0
ASSI (RESI 107 AND NAME HA ) (RESI 14 AND NAME HD# ) 3.90 3.90 1.0
ASSI (RESI 107 AND NAME HA ) (RESI 14 AND NAME HE# ) 4.54 4.54 1.0
ASSI (RESI 107 AND NAME HA ) (RESI 15 AND NAME HN ) 4.06 4.06 1.0
ASSI (RESI 107 AND NAME HA ) (RESI 19 AND NAME HG1 ) 4.76 4.76 1.0
ASSI (RESI 107 AND NAME HA ) (RESI 19 AND NAME HG2# ) 4.30 4.30 1.0
ASSI (RESI 107 AND NAME HB1 ) (RESI 14 AND NAME HD# ) 3.63 3.63 1.0
ASSI (RESI 107 AND NAME HB1 ) (RESI 14 AND NAME HE# ) 4.02 4.02 1.0
ASSI (RESI 107 AND NAME HB2 ) (RESI 14 AND NAME HD# ) 3.97 3.97 1.0
ASSI (RESI 107 AND NAME HB2 ) (RESI 14 AND NAME HE# ) 4.37 4.37 1.0
ASSI (RESI 107 AND NAME HB2 ) (RESI 15 AND NAME HN ) 6.40 6.40 1.0
ASSI (RESI 108 AND NAME HA ) (RESI 13 AND NAME HD2 ) 4.57 4.57 1.0
ASSI (RESI 108 AND NAME HA ) (RESI 13 AND NAME HN ) 4.35 4.35 1.0
ASSI (RESI 108 AND NAME HA ) (RESI 14 AND NAME HB2 ) 4.82 4.82 1.0
ASSI (RESI 108 AND NAME HA ) (RESI 14 AND NAME HD# ) 3.45 3.45 1.0
ASSI (RESI 108 AND NAME HA ) (RESI 14 AND NAME HE# ) 4.19 4.19 1.0
ASSI (RESI 108 AND NAME HA ) (RESI 14 AND NAME H ) 4.59 4.59 1.0
ASSI (RESI 108 AND NAME HA ) (RESI 15 AND NAME HB1 ) 5.30 5.30 1.0
ASSI (RESI 108 AND NAME HA ) (RESI 15 AND NAME HB2 ) 5.56 5.56 1.0
ASSI (RESI 108 AND NAME HA ) (RESI 15 AND NAME HN ) 3.03 3.03 1.0
ASSI (RESI 108 AND NAME HB# ) (RESI 14 AND NAME HD# ) 3.81 3.81 1.0
ASSI (RESI 108 AND NAME HB# ) (RESI 14 AND NAME HE# ) 3.69 3.69 1.0
ASSI (RESI 108 AND NAME HB# ) (RESI 14 AND NAME H ) 5.49 5.49 1.0
ASSI (RESI 108 AND NAME HB# ) (RESI 15 AND NAME HN ) 4.42 4.42 1.0
ASSI (RESI 108 AND NAME HE# ) (RESI 12 AND NAME HN ) 3.71 3.71 1.0
ASSI (RESI 108 AND NAME HE# ) (RESI 14 AND NAME HD# ) 3.11 3.11 1.0
ASSI (RESI 108 AND NAME HE# ) (RESI 14 AND NAME HE# ) 3.02 3.02 1.0
ASSI (RESI 108 AND NAME HE# ) (RESI 14 AND NAME H ) 3.99 3.99 1.0
ASSI (RESI 109 AND NAME HA ) (RESI 13 AND NAME HE1 ) 5.71 5.71 1.0
ASSI (RESI 109 AND NAME HA ) (RESI 13 AND NAME HN ) 4.64 4.64 1.0
ASSI (RESI 109 AND NAME HB ) (RESI 13 AND NAME HD2 ) 4.13 4.13 1.0
ASSI (RESI 109 AND NAME HB ) (RESI 13 AND NAME HE1 ) 3.65 3.65 1.0
ASSI (RESI 109 AND NAME HB ) (RESI 13 AND NAME HN ) 4.34 4.34 1.0
ASSI (RESI 109 AND NAME HB ) (RESI 15 AND NAME HB1 ) 4.36 4.36 1.0
ASSI (RESI 109 AND NAME HB ) (RESI 15 AND NAME HB2 ) 4.96 4.96 1.0
ASSI (RESI 109 AND NAME HB ) (RESI 15 AND NAME HN ) 5.54 5.54 1.0
ASSI (RESI 109 AND NAME HG1# ) (RESI 13 AND NAME HD2 ) 3.58 3.58 1.0
ASSI (RESI 109 AND NAME HG1# ) (RESI 13 AND NAME HE1 ) 3.38 3.38 1.0
ASSI (RESI 109 AND NAME HG1# ) (RESI 13 AND NAME HN ) 3.96 3.96 1.0
ASSI (RESI 109 AND NAME HG1# ) (RESI 15 AND NAME HB1 ) 3.25 3.25 1.0
ASSI (RESI 109 AND NAME HG1# ) (RESI 15 AND NAME HN ) 4.23 4.23 1.0
ASSI (RESI 109 AND NAME HG1# ) (RESI 16 AND NAME HN ) 5.98 5.98 1.0
ASSI (RESI 109 AND NAME HG1# ) (RESI 17 AND NAME HN ) 5.77 5.77 1.0
ASSI (RESI 109 AND NAME HG1# ) (RESI 18 AND NAME HB2 ) 4.86 4.86 1.0
ASSI (RESI 109 AND NAME HG1# ) (RESI 18 AND NAME HN ) 4.74 4.74 1.0
ASSI (RESI 109 AND NAME HG1# ) (RESI 19 AND NAME HG1 ) 4.59 4.59 1.0
ASSI (RESI 109 AND NAME HG1# ) (RESI 19 AND NAME HG2# ) 4.42 4.42 1.0
ASSI (RESI 109 AND NAME HG1# ) (RESI 20 AND NAME HN ) 4.98 4.98 1.0
ASSI (RESI 109 AND NAME HG2# ) (RESI 13 AND NAME HB2 ) 5.01 5.01 1.0
ASSI (RESI 109 AND NAME HG2# ) (RESI 13 AND NAME HD2 ) 2.81 2.81 1.0
ASSI (RESI 109 AND NAME HG2# ) (RESI 13 AND NAME HE1 ) 2.35 2.35 1.0
ASSI (RESI 109 AND NAME HG2# ) (RESI 13 AND NAME HN ) 3.13 3.13 1.0
ASSI (RESI 109 AND NAME HG2# ) (RESI 14 AND NAME HD# ) 4.99 4.99 1.0
ASSI (RESI 109 AND NAME HG2# ) (RESI 14 AND NAME H ) 5.08 5.08 1.0
ASSI (RESI 109 AND NAME HG2# ) (RESI 15 AND NAME HB1 ) 2.86 2.86 1.0
ASSI (RESI 109 AND NAME HG2# ) (RESI 15 AND NAME HB2 ) 3.95 3.95 1.0
ASSI (RESI 109 AND NAME HG2# ) (RESI 15 AND NAME HB2 ) 3.26 3.26 1.0
ASSI (RESI 109 AND NAME HG2# ) (RESI 15 AND NAME HN ) 3.76 3.76 1.0
ASSI (RESI 109 AND NAME HG2# ) (RESI 16 AND NAME HN ) 4.74 4.74 1.0
ASSI (RESI 109 AND NAME HG2# ) (RESI 17 AND NAME HN ) 5.15 5.15 1.0
ASSI (RESI 109 AND NAME HG2# ) (RESI 18 AND NAME HB2 ) 4.20 4.20 1.0
ASSI (RESI 109 AND NAME HG2# ) (RESI 18 AND NAME HN ) 4.15 4.15 1.0
ASSI (RESI 109 AND NAME HG2# ) (RESI 19 AND NAME HG1 ) 5.41 5.41 1.0
ASSI (RESI 109 AND NAME HG2# ) (RESI 19 AND NAME HG2# ) 5.00 5.00 1.0
ASSI (RESI 109 AND NAME HG2# ) (RESI 19 AND NAME HN ) 5.19 5.19 1.0
ASSI (RESI 110 AND NAME HA ) (RESI 12 AND NAME HA2 ) 5.02 5.02 1.0
ASSI (RESI 110 AND NAME HA ) (RESI 12 AND NAME HN ) 4.04 4.04 1.0
ASSI (RESI 110 AND NAME HA ) (RESI 13 AND NAME HE1 ) 5.39 5.39 1.0
ASSI (RESI 110 AND NAME HA ) (RESI 13 AND NAME HN ) 3.82 3.82 1.0
ASSI (RESI 110 AND NAME HB ) (RESI 12 AND NAME HN ) 5.35 5.35 1.0
ASSI (RESI 110 AND NAME HB ) (RESI 13 AND NAME HN ) 5.74 5.74 1.0
ASSI (RESI 110 AND NAME HD1# ) (RESI 11 AND NAME HB2 ) 4.69 4.69 1.0
ASSI (RESI 110 AND NAME HD1# ) (RESI 11 AND NAME HD# ) 3.58 3.58 1.0
ASSI (RESI 110 AND NAME HD1# ) (RESI 11 AND NAME HE# ) 4.09 4.09 1.0
ASSI (RESI 110 AND NAME HD1# ) (RESI 11 AND NAME H ) 5.15 5.15 1.0
ASSI (RESI 110 AND NAME HD1# ) (RESI 12 AND NAME HA1 ) 5.35 5.35 1.0
ASSI (RESI 110 AND NAME HD1# ) (RESI 12 AND NAME HA2 ) 4.93 4.93 1.0
ASSI (RESI 110 AND NAME HD1# ) (RESI 12 AND NAME HN ) 3.77 3.77 1.0
ASSI (RESI 110 AND NAME HD1# ) (RESI 13 AND NAME HN ) 3.77 3.77 1.0
ASSI (RESI 110 AND NAME HD1# ) (RESI 14 AND NAME HD# ) 4.78 4.78 1.0
ASSI (RESI 110 AND NAME HD1# ) (RESI 14 AND NAME HE# ) 4.85 4.85 1.0
ASSI (RESI 110 AND NAME HG11 ) (RESI 12 AND NAME HN ) 5.06 5.06 1.0
ASSI (RESI 110 AND NAME HG11 ) (RESI 13 AND NAME HN ) 4.59 4.59 1.0
ASSI (RESI 110 AND NAME HG12 ) (RESI 12 AND NAME HN ) 4.87 4.87 1.0
ASSI (RESI 110 AND NAME HG12 ) (RESI 13 AND NAME HN ) 4.49 4.49 1.0
ASSI (RESI 110 AND NAME HG2# ) (RESI 10 AND NAME HB2 ) 4.36 4.36 1.0
ASSI (RESI 110 AND NAME HG2# ) (RESI 10 AND NAME HN ) 4.52 4.52 1.0
ASSI (RESI 110 AND NAME HG2# ) (RESI 11 AND NAME HB2 ) 4.13 4.13 1.0
ASSI (RESI 110 AND NAME HG2# ) (RESI 11 AND NAME HD# ) 3.75 3.75 1.0
ASSI (RESI 110 AND NAME HG2# ) (RESI 11 AND NAME HE# ) 3.84 3.84 1.0
ASSI (RESI 110 AND NAME HG2# ) (RESI 11 AND NAME H ) 4.48 4.48 1.0
ASSI (RESI 110 AND NAME HG2# ) (RESI 12 AND NAME HA1 ) 5.73 5.73 1.0
ASSI (RESI 110 AND NAME HG2# ) (RESI 12 AND NAME HA2 ) 5.00 5.00 1.0
ASSI (RESI 110 AND NAME HG2# ) (RESI 12 AND NAME HN ) 3.67 3.67 1.0
ASSI (RESI 110 AND NAME HG2# ) (RESI 13 AND NAME HN ) 3.87 3.87 1.0
ASSI (RESI 111 AND NAME HB1 ) (RESI 10 AND NAME HB2 ) 5.78 5.78 1.0
ASSI (RESI 111 AND NAME HB1 ) (RESI 13 AND NAME HE1 ) 5.11 5.11 1.0
ASSI (RESI 111 AND NAME HB2 ) (RESI 10 AND NAME HB2 ) 5.30 5.30 1.0
ASSI (RESI 111 AND NAME HB2 ) (RESI 13 AND NAME HE1 ) 4.87 4.87 1.0
!
! 4.
! CHIPS-C5aR(P7-28S) complex, intermolecular distance restraints
! From 3D-13C-edited-13C-filtered 3D NOESY-HSQC aromatic (900 MHz, expno30_nr2, 200 ms mixing time).
! Quantitiative intensities translated to upper limit distance of 5.0 plus 1.0 Angstrom.
! Note that HD## Leu20 is equivalent to (HD1# or HD2#) Leu20.
!
!ASSI (RESI 48 AND NAME HE# ) (RESI 9 AND NAME HB1 ) 5.0 5.0 1.0 ! excluded
!ASSI (RESI 48 AND NAME HE# ) ((RESI 9 AND NAME HG# ) or (RESI 9 AND NAME HB2 )) 5.0 5.0 1.0 ! excluded
ASSI (RESI 48 AND NAME HE# ) (RESI 10 AND NAME HN ) 5.0 5.0 1.0
ASSI (RESI 48 AND NAME HD# ) (RESI 11 AND NAME H ) 5.0 5.0 1.0
ASSI (RESI 48 AND NAME HE# ) (RESI 11 AND NAME H ) 5.0 5.0 1.0
ASSI (RESI 48 AND NAME HD# ) (RESI 11 AND NAME HB1 ) 5.0 5.0 1.0
ASSI (RESI 48 AND NAME HE# ) (RESI 11 AND NAME HB1 ) 5.0 5.0 1.0
ASSI (RESI 48 AND NAME HD# ) (RESI 11 AND NAME HD# ) 5.0 5.0 1.0
ASSI (RESI 48 AND NAME HE# ) (RESI 11 AND NAME HD# ) 5.0 5.0 1.0
ASSI (RESI 48 AND NAME HE# ) (RESI 11 AND NAME HE# ) 5.0 5.0 1.0
ASSI (RESI 48 AND NAME HD# ) (RESI 11 AND NAME HE# ) 5.0 5.0 1.0
ASSI (RESI 108 AND NAME HE# ) (RESI 12 AND NAME HN ) 5.0 5.0 1.0
ASSI (RESI 108 AND NAME HE# ) (RESI 12 AND NAME HA1 ) 5.0 5.0 1.0
ASSI (RESI 108 AND NAME HE# ) (RESI 13 AND NAME HN ) 5.0 5.0 1.0
!ASSI (RESI 97 AND NAME HE# ) (RESI 13 AND NAME HD2 ) 5.0 5.0 1.0 ! excluded
ASSI (RESI 108 AND NAME HE# ) (RESI 14 AND NAME H ) 5.0 5.0 1.0
ASSI (RESI 108 AND NAME HE# ) (RESI 14 AND NAME HB2 ) 5.0 5.0 1.0
ASSI (RESI 59 AND NAME HD# ) (RESI 14 AND NAME HD# ) 5.0 5.0 1.0
ASSI (RESI 59 AND NAME HE# ) (RESI 14 AND NAME HD# ) 5.0 5.0 1.0
ASSI (RESI 59 AND NAME HZ ) (RESI 14 AND NAME HD# ) 5.0 5.0 1.0
ASSI (RESI 108 AND NAME HE# ) (RESI 14 AND NAME HD# ) 5.0 5.0 1.0
ASSI (RESI 59 AND NAME HE# ) (RESI 14 AND NAME HE# ) 5.0 5.0 1.0
ASSI (RESI 59 AND NAME HZ ) (RESI 14 AND NAME HE# ) 5.0 5.0 1.0
ASSI (RESI 108 AND NAME HE# ) (RESI 14 AND NAME HE# ) 5.0 5.0 1.0
ASSI (RESI 97 AND NAME HE# ) (RESI 18 AND NAME HN ) 5.0 5.0 1.0
ASSI (RESI 97 AND NAME HE# ) (RESI 18 AND NAME HB1 ) 5.0 5.0 1.0
ASSI (RESI 97 AND NAME HD# ) (RESI 19 AND NAME HB ) 5.0 5.0 1.0
ASSI (RESI 97 AND NAME HD# ) (RESI 19 AND NAME HG1 ) 5.0 5.0 1.0
ASSI (RESI 97 AND NAME HE# ) (RESI 19 AND NAME HG1 ) 5.0 5.0 1.0
ASSI (RESI 97 AND NAME HD# ) (RESI 19 AND NAME HG2# ) 5.0 5.0 1.0
ASSI (RESI 97 AND NAME HE# ) (RESI 19 AND NAME HG2# ) 5.0 5.0 1.0
ASSI (RESI 97 AND NAME HD# ) (RESI 20 AND NAME HN ) 5.0 5.0 1.0
ASSI (RESI 97 AND NAME HE# ) (RESI 20 AND NAME HN ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HZ ) (RESI 20 AND NAME HN ) 5.0 5.0 1.0
ASSI (RESI 97 AND NAME HD# ) (RESI 20 AND NAME HA ) 5.0 5.0 1.0
ASSI (RESI 97 AND NAME HE# ) (RESI 20 AND NAME HA ) 5.0 5.0 1.0
ASSI (RESI 71 AND NAME HD# ) (RESI 20 AND NAME HB2 ) 5.0 5.0 1.0
ASSI (RESI 71 AND NAME HE# ) (RESI 20 AND NAME HB2 ) 5.0 5.0 1.0
ASSI (RESI 97 AND NAME HD# ) (RESI 20 AND NAME HB2 ) 5.0 5.0 1.0
ASSI (RESI 97 AND NAME HE# ) (RESI 20 AND NAME HB2 ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HE# ) (RESI 20 AND NAME HB2 ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HZ ) (RESI 20 AND NAME HB2 ) 5.0 5.0 1.0
ASSI (RESI 97 AND NAME HD# ) (RESI 20 AND NAME HB1 ) 5.0 5.0 1.0
ASSI (RESI 97 AND NAME HE# ) (RESI 20 AND NAME HB1 ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HE# ) (RESI 20 AND NAME HB1 ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HZ ) (RESI 20 AND NAME HB1 ) 5.0 5.0 1.0
ASSI (RESI 71 AND NAME HD# ) (RESI 20 AND NAME HD## ) 5.0 5.0 1.0
ASSI (RESI 71 AND NAME HE# ) (RESI 20 AND NAME HD## ) 5.0 5.0 1.0
ASSI (RESI 97 AND NAME HD# ) (RESI 20 AND NAME HD## ) 5.0 5.0 1.0
ASSI (RESI 97 AND NAME HE# ) (RESI 20 AND NAME HD## ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HD# ) (RESI 20 AND NAME HD## ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HE# ) (RESI 20 AND NAME HD## ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HZ ) (RESI 20 AND NAME HD## ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HD# ) (RESI 20 AND NAME HG ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HE# ) (RESI 20 AND NAME HG ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HZ ) (RESI 20 AND NAME HG ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HD# ) (RESI 22 AND NAME HN ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HE# ) (RESI 22 AND NAME HN ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HZ ) (RESI 22 AND NAME HN ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HE# ) (RESI 22 AND NAME HB2 ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HZ ) (RESI 22 AND NAME HB2 ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HD# ) (RESI 22 AND NAME HB1 ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HE# ) (RESI 22 AND NAME HB1 ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HZ ) (RESI 22 AND NAME HB1 ) 5.0 5.0 1.0
ASSI (RESI 71 AND NAME HD# ) (RESI 22 AND NAME HD1# ) 5.0 5.0 1.0
ASSI (RESI 71 AND NAME HE# ) (RESI 22 AND NAME HD1# ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HD# ) (RESI 22 AND NAME HD1# ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HE# ) (RESI 22 AND NAME HD1# ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HZ ) (RESI 22 AND NAME HD1# ) 5.0 5.0 1.0
ASSI (RESI 71 AND NAME HE# ) (RESI 22 AND NAME HD2# ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HD# ) (RESI 22 AND NAME HD2# ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HE# ) (RESI 22 AND NAME HD2# ) 5.0 5.0 1.0
ASSI (RESI 99 AND NAME HZ ) (RESI 22 AND NAME HD2# ) 5.0 5.0 1.0
!
! 5.
! CHIPS-C5aR(P7-28S) complex intermolecular distance restraints.
! 13C-filtered 2D NOESY (900 MHz, expno8, 200 ms mixing time).
! Spin diffusion quite pronounced, R^3 distance scaling of intensities.
! Yardstick distance HG2# Thr53 to HE# sTyr14 = 2.38 Angstrom.
! Due to a higher accuracy of peak intensities, combined with high sensitivity, the
! upper boundary limit is hard set, with the third column ste to zero Angstrom.
!
ASSI (RESI 48 AND NAME HE# ) (RESI 8 AND NAME HG2# ) 6.27 6.27 0.0
ASSI (RESI 48 AND NAME HE# ) (RESI 9 AND NAME HB1 ) 6.28 6.28 0.0
ASSI (RESI 48 AND NAME HE# ) (RESI 9 AND NAME HG# ) 5.80 5.80 0.0
ASSI (RESI 110 AND NAME HG2#) (RESI 10 AND NAME HB1 ) 5.53 5.53 0.0
ASSI (RESI 111 AND NAME HN ) (RESI 10 AND NAME HB1 ) 7.00 7.00 0.0
ASSI (RESI 110 AND NAME HG2#) (RESI 10 AND NAME HB2 ) 7.16 7.16 0.0
ASSI (RESI 111 AND NAME HN ) (RESI 10 AND NAME HB2 ) 7.09 7.09 0.0
ASSI (RESI 48 AND NAME HD# ) (RESI 11 AND NAME HB1 ) 7.03 7.03 0.0
!ASSI (RESI 49 AND NAME HN ) (RESI 11 AND NAME HB1 ) 4.87 4.87 0.0 ! Spin diffusion
ASSI (RESI 51 AND NAME HB2 ) (RESI 11 AND NAME HB1 ) 6.96 6.96 0.0
ASSI (RESI 51 AND NAME HD2 ) (RESI 11 AND NAME HB1 ) 6.77 6.77 0.0
ASSI (RESI 52 AND NAME HA1 ) (RESI 11 AND NAME HB1 ) 6.58 6.58 0.0
ASSI (RESI 52 AND NAME HA2 ) (RESI 11 AND NAME HB1 ) 4.70 4.70 0.0
ASSI (RESI 110 AND NAME HD1#) (RESI 11 AND NAME HB1 ) 5.80 5.80 0.0
ASSI (RESI 48 AND NAME HB2 ) (RESI 11 AND NAME HB2 ) 6.40 6.40 0.0
ASSI (RESI 48 AND NAME HD# ) (RESI 11 AND NAME HB2 ) 6.64 6.64 0.0
ASSI (RESI 48 AND NAME HE# ) (RESI 11 AND NAME HB2 ) 7.06 7.06 0.0
!ASSI (RESI 49 AND NAME HN ) (RESI 11 AND NAME HB2 ) 4.21 4.21 0.0 ! Spin diffusion
ASSI (RESI 51 AND NAME HB2 ) (RESI 11 AND NAME HB2 ) 6.49 6.49 0.0
ASSI (RESI 51 AND NAME HD2 ) (RESI 11 AND NAME HB2 ) 6.08 6.08 0.0
ASSI (RESI 52 AND NAME HA1 ) (RESI 11 AND NAME HB2 ) 5.52 5.52 0.0
ASSI (RESI 52 AND NAME HA2 ) (RESI 11 AND NAME HB2 ) 4.25 4.25 0.0
ASSI (RESI 110 AND NAME HD1#) (RESI 11 AND NAME HB2 ) 6.56 6.56 0.0
ASSI (RESI 45 AND NAME HA ) (RESI 11 AND NAME HD# ) 6.11 6.11 0.0
!ASSI ((RESI 45 AND NAME HD2#) or (RESI 41 AND NAME HD2#)) (RESI 11 AND NAME HD# ) 5.52 5.52 0.0 ! Spin diffusion
!ASSI (RESI 47 AND NAME HN ) (RESI 11 AND NAME HD# ) 4.82 4.82 0.0 ! Spin diffusion
ASSI (RESI 48 AND NAME HA ) (RESI 11 AND NAME HD# ) 2.99 2.99 0.0
ASSI (RESI 48 AND NAME HB1 ) (RESI 11 AND NAME HD# ) 4.08 4.08 0.0
ASSI (RESI 48 AND NAME HB2 ) (RESI 11 AND NAME HD# ) 3.92 3.92 0.0
ASSI (RESI 48 AND NAME HD# ) (RESI 11 AND NAME HD# ) 3.19 3.19 0.0
ASSI (RESI 48 AND NAME HN ) (RESI 11 AND NAME HD# ) 5.00 5.00 0.0
!ASSI (RESI 49 AND NAME HN ) (RESI 11 AND NAME HD# ) 3.77 3.77 0.0 ! Spin diffusion
ASSI (RESI 50 AND NAME HE# ) (RESI 11 AND NAME HD# ) 7.63 7.63 0.0
ASSI (RESI 51 AND NAME HA ) (RESI 11 AND NAME HD# ) 5.21 5.21 0.0
ASSI (RESI 51 AND NAME HB2 ) (RESI 11 AND NAME HD# ) 3.96 3.96 0.0
ASSI (RESI 51 AND NAME HD2 ) (RESI 11 AND NAME HD# ) 3.36 3.36 0.0
ASSI (RESI 51 AND NAME HE# ) (RESI 11 AND NAME HD# ) 4.56 4.56 0.0
ASSI (RESI 51 AND NAME HG1 ) (RESI 11 AND NAME HD# ) 4.47 4.47 0.0
ASSI (RESI 51 AND NAME HG2 ) (RESI 11 AND NAME HD# ) 4.92 4.92 0.0
ASSI (RESI 52 AND NAME HA1 ) (RESI 11 AND NAME HD# ) 5.05 5.05 0.0
ASSI (RESI 53 AND NAME HG2#) (RESI 11 AND NAME HD# ) 7.28 7.28 0.0
!ASSI (RESI 108 AND NAME HN ) (RESI 11 AND NAME HD# ) 7.51 7.51 0.0 ! Spin diffusion
ASSI (RESI 110 AND NAME HD1#) (RESI 11 AND NAME HD# ) 4.43 4.43 0.0
ASSI (RESI 110 AND NAME HG2#) (RESI 11 AND NAME HD# ) 5.35 5.35 0.0
!ASSI ((RESI 45 AND NAME HD2#) or (RESI 41 AND NAME HD2#)) (RESI 11 AND NAME HE# ) 4.38 4.38 0.0 ! Spin diffusion
ASSI (RESI 47 AND NAME HN ) (RESI 11 AND NAME HE# ) 5.28 5.28 0.0
ASSI (RESI 48 AND NAME HA ) (RESI 11 AND NAME HE# ) 3.69 3.69 0.0
ASSI (RESI 48 AND NAME HB1 ) (RESI 11 AND NAME HE# ) 5.53 5.53 0.0
ASSI (RESI 48 AND NAME HB2 ) (RESI 11 AND NAME HE# ) 5.21 5.21 0.0
ASSI (RESI 48 AND NAME HD# ) (RESI 11 AND NAME HE# ) 2.95 2.95 0.0
ASSI (RESI 48 AND NAME HN ) (RESI 11 AND NAME HE# ) 6.02 6.02 0.0
!ASSI (RESI 49 AND NAME HN ) (RESI 11 AND NAME HE# ) 5.01 5.01 0.0 ! Spin diffusion
ASSI (RESI 50 AND NAME HE# ) (RESI 11 AND NAME HE# ) 6.03 6.03 0.0
ASSI (RESI 51 AND NAME HA ) (RESI 11 AND NAME HE# ) 5.71 5.71 0.0
ASSI (RESI 51 AND NAME HB2 ) (RESI 11 AND NAME HE# ) 3.90 3.90 0.0
ASSI (RESI 51 AND NAME HD2 ) (RESI 11 AND NAME HE# ) 3.06 3.06 0.0
ASSI (RESI 51 AND NAME HE# ) (RESI 11 AND NAME HE# ) 3.68 3.68 0.0
ASSI (RESI 51 AND NAME HG1 ) (RESI 11 AND NAME HE# ) 4.02 4.02 0.0
ASSI (RESI 51 AND NAME HG2 ) (RESI 11 AND NAME HE# ) 4.32 4.32 0.0
ASSI (RESI 52 AND NAME HA1 ) (RESI 11 AND NAME HE# ) 6.05 6.05 0.0
ASSI (RESI 110 AND NAME HD1#) (RESI 11 AND NAME HE# ) 4.66 4.66 0.0
ASSI (RESI 110 AND NAME HG2#) (RESI 11 AND NAME HE# ) 5.14 5.14 0.0
ASSI (RESI 52 AND NAME HA1 ) (RESI 11 AND NAME H ) 8.00 8.00 0.0
ASSI (RESI 110 AND NAME HD1#) (RESI 11 AND NAME H ) 7.45 7.45 0.0
ASSI (RESI 110 AND NAME HG2#) (RESI 11 AND NAME H ) 6.73 6.73 0.0
ASSI (RESI 108 AND NAME HE# ) (RESI 12 AND NAME HA1 ) 7.45 7.45 0.0
ASSI (RESI 108 AND NAME HE# ) (RESI 12 AND NAME HA2 ) 7.20 7.20 0.0
ASSI (RESI 48 AND NAME HB1 ) (RESI 12 AND NAME HN ) 6.84 6.84 0.0
ASSI (RESI 48 AND NAME HB2 ) (RESI 12 AND NAME HN ) 7.60 7.60 0.0
ASSI (RESI 48 AND NAME HD# ) (RESI 12 AND NAME HN ) 6.66 6.66 0.0
ASSI (RESI 48 AND NAME HE# ) (RESI 12 AND NAME HN ) 7.10 7.10 0.0
ASSI (RESI 49 AND NAME HD2#) (RESI 12 AND NAME HN ) 6.85 6.85 0.0
ASSI (RESI 52 AND NAME HA1 ) (RESI 12 AND NAME HN ) 6.51 6.51 0.0
ASSI (RESI 108 AND NAME HE# ) (RESI 12 AND NAME HN ) 4.15 4.15 0.0
ASSI (RESI 110 AND NAME HA ) (RESI 12 AND NAME HN ) 4.96 4.96 0.0
ASSI (RESI 110 AND NAME HB ) (RESI 12 AND NAME HN ) 6.60 6.60 0.0
ASSI (RESI 110 AND NAME HD1#) (RESI 12 AND NAME HN ) 4.79 4.79 0.0
ASSI (RESI 110 AND NAME HG11) (RESI 12 AND NAME HN ) 5.74 5.74 0.0
ASSI (RESI 110 AND NAME HG12) (RESI 12 AND NAME HN ) 5.28 5.28 0.0
ASSI (RESI 110 AND NAME HG2#) (RESI 12 AND NAME HN ) 5.01 5.01 0.0
ASSI (RESI 111 AND NAME HN ) (RESI 12 AND NAME HN ) 6.20 6.20 0.0
ASSI (RESI 108 AND NAME HE# ) (RESI 13 AND NAME HB1 ) 5.81 5.81 0.0
ASSI (RESI 108 AND NAME HE# ) (RESI 13 AND NAME HB2 ) 7.69 7.69 0.0
ASSI ((RESI 109 AND NAME HG1#) or (RESI 109 AND NAME HG2#)) (RESI 13 AND NAME HD2 ) 2.93 2.93 0.0
ASSI ((RESI 109 AND NAME HG1#) or (RESI 109 AND NAME HG2#)) (RESI 13 AND NAME HE1 ) 2.48 2.48 0.0
ASSI (RESI 110 AND NAME HB ) (RESI 13 AND NAME HE1 ) 5.15 5.15 0.0
ASSI (RESI 110 AND NAME HG2#) (RESI 13 AND NAME HE1 ) 7.08 7.08 0.0
ASSI (RESI 111 AND NAME HD21) (RESI 13 AND NAME HE1 ) 3.74 3.74 0.0
ASSI (RESI 111 AND NAME HD22) (RESI 13 AND NAME HE1 ) 3.64 3.64 0.0
ASSI (RESI 49 AND NAME HD2#) (RESI 13 AND NAME HN ) 8.59 8.59 0.0
ASSI (RESI 53 AND NAME HG2#) (RESI 13 AND NAME HN ) 6.82 6.82 0.0
ASSI (RESI 108 AND NAME HE# ) (RESI 13 AND NAME HN ) 4.33 4.33 0.0
ASSI (RESI 109 AND NAME HA ) (RESI 13 AND NAME HN ) 6.51 6.51 0.0
ASSI (RESI 109 AND NAME HB ) (RESI 13 AND NAME HN ) 5.46 5.46 0.0
ASSI ((RESI 109 AND NAME HG1#) or (RESI 109 AND NAME HG2#)) (RESI 13 AND NAME HN ) 3.54 3.54 0.0
ASSI (RESI 109 AND NAME HN ) (RESI 13 AND NAME HN ) 3.47 3.47 0.0
ASSI (RESI 110 AND NAME HA ) (RESI 13 AND NAME HN ) 4.54 4.54 0.0
ASSI (RESI 110 AND NAME HD1#) (RESI 13 AND NAME HN ) 4.93 4.93 0.0
ASSI (RESI 110 AND NAME HG11) (RESI 13 AND NAME HN ) 5.59 5.59 0.0
ASSI (RESI 110 AND NAME HG2#) (RESI 13 AND NAME HN ) 5.54 5.54 0.0
ASSI (RESI 110 AND NAME HN ) (RESI 13 AND NAME HN ) 6.50 6.50 0.0
ASSI (RESI 111 AND NAME HN ) (RESI 13 AND NAME HN ) 5.72 5.72 0.0
ASSI (RESI 108 AND NAME HA ) (RESI 14 AND NAME HB1 ) 5.92 5.92 0.0
ASSI (RESI 108 AND NAME HE# ) (RESI 14 AND NAME HB1 ) 6.17 6.17 0.0
ASSI (RESI 108 AND NAME HA ) (RESI 14 AND NAME HB2 ) 6.75 6.75 0.0
ASSI (RESI 108 AND NAME HE# ) (RESI 14 AND NAME HB2 ) 7.03 7.03 0.0
ASSI (RESI 49 AND NAME HD2#) (RESI 14 AND NAME HD# ) 6.56 6.56 0.0
ASSI (RESI 53 AND NAME HB ) (RESI 14 AND NAME HD# ) 5.95 5.95 0.0
ASSI (RESI 53 AND NAME HG2#) (RESI 14 AND NAME HD# ) 3.92 3.92 0.0
ASSI (RESI 53 AND NAME HN ) (RESI 14 AND NAME HD# ) 6.0 6.0 0.0 ! overlap 5.61 --> 6.0
ASSI (RESI 54 AND NAME HD# ) (RESI 14 AND NAME HD# ) 7.05 7.05 0.0
ASSI (RESI 54 AND NAME HG2 ) (RESI 14 AND NAME HD# ) 7.60 7.60 0.0
ASSI (RESI 54 AND NAME HN ) (RESI 14 AND NAME HD# ) 5.86 5.86 0.0
ASSI (RESI 58 AND NAME HE21) (RESI 14 AND NAME HD# ) 5.67 5.67 0.0 ! overlap
ASSI (RESI 58 AND NAME HE22) (RESI 14 AND NAME HD# ) 6.77 6.77 0.0 ! overlap
ASSI (RESI 58 AND NAME HG1 ) (RESI 14 AND NAME HD# ) 7.22 7.22 0.0
ASSI (RESI 58 AND NAME HG2 ) (RESI 14 AND NAME HD# ) 7.22 7.22 0.0
ASSI (RESI 59 AND NAME HE# ) (RESI 14 AND NAME HD# ) 5.10 5.10 0.0
ASSI (RESI 59 AND NAME HZ ) (RESI 14 AND NAME HD# ) 3.81 3.81 0.0
ASSI (RESI 100 AND NAME HD1 ) (RESI 14 AND NAME HD# ) 8.08 8.08 0.0
ASSI (RESI 100 AND NAME HD2 ) (RESI 14 AND NAME HD# ) 6.18 6.18 0.0
ASSI (RESI 100 AND NAME HE1 ) (RESI 14 AND NAME HD# ) 4.83 4.83 0.0
ASSI (RESI 100 AND NAME HE2 ) (RESI 14 AND NAME HD# ) 5.59 5.59 0.0
ASSI (RESI 107 AND NAME HA ) (RESI 14 AND NAME HD# ) 5.30 5.30 0.0
ASSI (RESI 107 AND NAME HB1 ) (RESI 14 AND NAME HD# ) 4.07 4.07 0.0
ASSI (RESI 108 AND NAME HB# ) (RESI 14 AND NAME HD# ) 4.77 4.77 0.0
ASSI (RESI 108 AND NAME HD# ) (RESI 14 AND NAME HD# ) 6.15 6.15 0.0
ASSI (RESI 108 AND NAME HE# ) (RESI 14 AND NAME HD# ) 3.49 3.49 0.0
ASSI ((RESI 109 AND NAME HG1#) or (RESI 109 AND NAME HG2#)) (RESI 14 AND NAME HD# ) 5.81 5.81 0.0
ASSI (RESI 110 AND NAME HD1#) (RESI 14 AND NAME HD# ) 6.57 6.57 0.0
ASSI (RESI 110 AND NAME HG2#) (RESI 14 AND NAME HD# ) 6.92 6.92 0.0
ASSI (RESI 49 AND NAME HD1#) (RESI 14 AND NAME HE# ) 7.30 7.30 0.0
ASSI (RESI 49 AND NAME HD2#) (RESI 14 AND NAME HE# ) 4.83 4.83 0.0
ASSI (RESI 53 AND NAME HA ) (RESI 14 AND NAME HE# ) 2.74 2.74 0.0
ASSI (RESI 53 AND NAME HB ) (RESI 14 AND NAME HE# ) 3.82 3.82 0.0
ASSI (RESI 53 AND NAME HG1 ) (RESI 14 AND NAME HE# ) 5.63 5.63 0.0
ASSI (RESI 53 AND NAME HG2#) (RESI 14 AND NAME HE# ) 2.38 2.38 0.0
ASSI (RESI 53 AND NAME HN ) (RESI 14 AND NAME HE# ) 6.0 6.0 0.0 ! Overlap 3.34 --> 6.0
ASSI (RESI 54 AND NAME HB1 ) (RESI 14 AND NAME HE# ) 6.73 6.73 0.0
ASSI (RESI 54 AND NAME HB2 ) (RESI 14 AND NAME HE# ) 6.18 6.18 0.0
ASSI (RESI 54 AND NAME HD# ) (RESI 14 AND NAME HE# ) 6.18 6.18 0.0
ASSI (RESI 54 AND NAME HG2 ) (RESI 14 AND NAME HE# ) 6.20 6.20 0.0
ASSI (RESI 54 AND NAME HN ) (RESI 14 AND NAME HE# ) 3.36 3.36 0.0
ASSI (RESI 58 AND NAME HE21) (RESI 14 AND NAME HE# ) 6.0 6.0 0.0 ! overlap 3.33 --> 6.0
ASSI (RESI 58 AND NAME HE22) (RESI 14 AND NAME HE# ) 4.16 4.16 0.0
ASSI (RESI 58 AND NAME HG1 ) (RESI 14 AND NAME HE# ) 6.44 6.44 0.0
ASSI (RESI 58 AND NAME HG2 ) (RESI 14 AND NAME HE# ) 7.08 7.08 0.0
ASSI (RESI 59 AND NAME HE# ) (RESI 14 AND NAME HE# ) 3.28 3.28 0.0
ASSI (RESI 59 AND NAME HZ ) (RESI 14 AND NAME HE# ) 2.39 2.39 0.0
ASSI (RESI 100 AND NAME HD1 ) (RESI 14 AND NAME HE# ) 6.52 6.52 0.0
ASSI (RESI 100 AND NAME HD2 ) (RESI 14 AND NAME HE# ) 5.25 5.25 0.0
ASSI (RESI 100 AND NAME HE1 ) (RESI 14 AND NAME HE# ) 3.99 3.99 0.0
ASSI (RESI 100 AND NAME HE2 ) (RESI 14 AND NAME HE# ) 3.90 3.90 0.0
ASSI (RESI 100 AND NAME HG1 ) (RESI 14 AND NAME HE# ) 6.80 6.80 0.0
ASSI (RESI 100 AND NAME HG2 ) (RESI 14 AND NAME HE# ) 7.89 7.89 0.0
ASSI (RESI 107 AND NAME HA ) (RESI 14 AND NAME HE# ) 6.55 6.55 0.0
ASSI (RESI 107 AND NAME HB1 ) (RESI 14 AND NAME HE# ) 5.07 5.07 0.0
ASSI (RESI 107 AND NAME HB2 ) (RESI 14 AND NAME HE# ) 5.29 5.29 0.0
ASSI (RESI 108 AND NAME HA ) (RESI 14 AND NAME HE# ) 5.33 5.33 0.0
ASSI (RESI 108 AND NAME HB# ) (RESI 14 AND NAME HE# ) 4.71 4.71 0.0
ASSI (RESI 108 AND NAME HD# ) (RESI 14 AND NAME HE# ) 6.56 6.56 0.0
ASSI (RESI 108 AND NAME HE# ) (RESI 14 AND NAME HE# ) 3.31 3.31 0.0
ASSI (RESI 110 AND NAME HD1#) (RESI 14 AND NAME HE# ) 7.07 7.07 1.0 ! spin diffusion
ASSI (RESI 110 AND NAME HG2#) (RESI 14 AND NAME HE# ) 7.37 7.37 1.0 ! spin diffusion
ASSI (RESI 108 AND NAME HB# ) (RESI 14 AND NAME H ) 7.93 7.93 0.0
ASSI (RESI 108 AND NAME HE# ) (RESI 14 AND NAME H ) 4.82 4.82 0.0
ASSI (RESI 109 AND NAME HN ) (RESI 14 AND NAME H ) 6.65 6.65 0.0
ASSI ((RESI 109 AND NAME HG1#) or (RESI 109 AND NAME HG2#)) (RESI 15 AND NAME HB1 ) 3.24 3.24 0.0
ASSI ((RESI 109 AND NAME HG1#) or (RESI 109 AND NAME HG2#)) (RESI 15 AND NAME HB2 ) 3.72 3.72 0.0
ASSI (RESI 107 AND NAME HA ) (RESI 15 AND NAME HN ) 5.69 5.69 0.0
ASSI (RESI 108 AND NAME HA ) (RESI 15 AND NAME HN ) 3.51 3.51 0.0
ASSI (RESI 108 AND NAME HB# ) (RESI 15 AND NAME HN ) 6.32 6.32 0.0
ASSI (RESI 108 AND NAME HD# ) (RESI 15 AND NAME HN ) 7.82 7.82 0.0
ASSI (RESI 108 AND NAME HE# ) (RESI 15 AND NAME HN ) 6.87 6.87 0.0
ASSI (RESI 109 AND NAME HA ) (RESI 15 AND NAME HN ) 7.47 7.47 0.0
ASSI ((RESI 109 AND NAME HG1#) or (RESI 109 AND NAME HG2#)) (RESI 15 AND NAME HN ) 4.69 4.69 0.0
ASSI (RESI 109 AND NAME HN ) (RESI 15 AND NAME HN ) 4.60 4.60 0.0
ASSI ((RESI 109 AND NAME HG1#) or (RESI 109 AND NAME HG2#)) (RESI 16 AND NAME HN ) 7.15 7.15 0.0
ASSI ((RESI 109 AND NAME HG1#) or (RESI 109 AND NAME HG2#)) (RESI 17 AND NAME HN ) 7.13 7.13 0.0
ASSI ((RESI 109 AND NAME HG1#) or (RESI 109 AND NAME HG2#)) (RESI 18 AND NAME HB1 ) 3.02 3.02 0.0
ASSI ((RESI 109 AND NAME HG1#) or (RESI 109 AND NAME HG2#)) (RESI 18 AND NAME HB2 ) 5.09 5.09 0.0
ASSI (RESI 97 AND NAME HD# ) (RESI 18 AND NAME HN ) 7.36 7.36 0.0
ASSI (RESI 97 AND NAME HE# ) (RESI 18 AND NAME HN ) 8.28 8.28 0.0
ASSI ((RESI 109 AND NAME HG1#) or (RESI 109 AND NAME HG2#)) (RESI 18 AND NAME HN ) 5.15 5.15 0.0
ASSI (RESI 105 AND NAME HA ) (RESI 19 AND NAME HB ) 6.95 6.95 0.0
ASSI (RESI 105 AND NAME HB1 ) (RESI 19 AND NAME HB ) 6.26 6.26 0.0
ASSI (RESI 105 AND NAME HB2 ) (RESI 19 AND NAME HB ) 5.90 5.90 0.0
ASSI (RESI 105 AND NAME HD# ) (RESI 19 AND NAME HB ) 4.67 4.67 0.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 19 AND NAME HB ) 4.84 4.84 0.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 19 AND NAME HB ) 4.90 4.90 0.0
ASSI (RESI 106 AND NAME HN ) (RESI 19 AND NAME HB ) 5.12 5.12 0.0
ASSI (RESI 97 AND NAME HB1 ) (RESI 19 AND NAME HG1 ) 6.05 6.05 0.0
ASSI (RESI 97 AND NAME HB2 ) (RESI 19 AND NAME HG1 ) 7.04 7.04 0.0
ASSI (RESI 97 AND NAME HD# ) (RESI 19 AND NAME HG1 ) 4.89 4.89 0.0
!ASSI (RESI 97 AND NAME HN ) (RESI 19 AND NAME HG1 ) 7.92 7.92 0.0 ! Spin diffusion or incorrect
ASSI (RESI 98 AND NAME HN ) (RESI 19 AND NAME HG1 ) 7.84 7.84 0.0
ASSI (RESI 106 AND NAME HA ) (RESI 19 AND NAME HG1 ) 6.62 6.62 0.0
ASSI (RESI 106 AND NAME HB1 ) (RESI 19 AND NAME HG1 ) 5.29 5.29 0.0
ASSI (RESI 106 AND NAME HB2 ) (RESI 19 AND NAME HG1 ) 5.49 5.49 0.0
ASSI (RESI 106 AND NAME HN ) (RESI 19 AND NAME HG1 ) 5.60 5.60 0.0
ASSI (RESI 107 AND NAME HA ) (RESI 19 AND NAME HG1 ) 7.23 7.23 0.0
ASSI (RESI 107 AND NAME HN ) (RESI 19 AND NAME HG1 ) 6.71 6.71 0.0
ASSI (RESI 108 AND NAME HN ) (RESI 19 AND NAME HG1 ) 6.69 6.69 0.0
ASSI ((RESI 109 AND NAME HG1#) or (RESI 109 AND NAME HG2#)) (RESI 19 AND NAME HG1 ) 6.06 6.06 0.0
ASSI (RESI 105 AND NAME HA ) (RESI 19 AND NAME HG2# ) 6.55 6.55 0.0
ASSI (RESI 105 AND NAME HD# ) (RESI 19 AND NAME HG2# ) 3.11 3.11 0.0
ASSI (RESI 105 AND NAME HE# ) (RESI 19 AND NAME HG2# ) 3.67 3.67 0.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 19 AND NAME HG2# ) 3.88 3.88 0.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 19 AND NAME HG2# ) 3.93 3.93 0.0
ASSI (RESI 106 AND NAME HN ) (RESI 19 AND NAME HG2# ) 4.55 4.55 0.0
ASSI (RESI 107 AND NAME HA ) (RESI 19 AND NAME HG2# ) 4.91 4.91 0.0
ASSI (RESI 97 AND NAME HD# ) (RESI 19 AND NAME HN ) 5.72 5.72 0.0
ASSI (RESI 97 AND NAME HE# ) (RESI 19 AND NAME HN ) 5.24 5.24 0.0
ASSI (RESI 105 AND NAME HB2 ) (RESI 19 AND NAME HN ) 8.06 8.06 0.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 19 AND NAME HN ) 8.73 8.73 0.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 19 AND NAME HN ) 6.03 6.03 0.0
ASSI (RESI 63 AND NAME HG1#) (RESI 20 AND NAME HB1 ) 6.40 6.40 0.0
ASSI (RESI 97 AND NAME HB1 ) (RESI 20 AND NAME HB1 ) 6.36 6.36 0.0
ASSI (RESI 97 AND NAME HD# ) (RESI 20 AND NAME HB1 ) 4.41 4.41 0.0
ASSI (RESI 97 AND NAME HE# ) (RESI 20 AND NAME HB1 ) 6.33 6.33 0.0
ASSI (RESI 99 AND NAME HE# ) (RESI 20 AND NAME HB1 ) 5.68 5.68 0.0
ASSI (RESI 99 AND NAME HZ ) (RESI 20 AND NAME HB1 ) 4.15 4.15 0.0
ASSI (RESI 106 AND NAME HB2 ) (RESI 20 AND NAME HB1 ) 6.20 6.20 0.0
ASSI (RESI 106 AND NAME HN ) (RESI 20 AND NAME HB1 ) 6.37 6.37 0.0
ASSI (RESI 63 AND NAME HG1#) (RESI 20 AND NAME HB2 ) 7.31 7.31 0.0
ASSI (RESI 65 AND NAME HD1#) (RESI 20 AND NAME HB2 ) 6.80 6.80 0.0
ASSI (RESI 97 AND NAME HB1 ) (RESI 20 AND NAME HB2 ) 7.49 7.49 0.0
ASSI (RESI 97 AND NAME HD# ) (RESI 20 AND NAME HB2 ) 4.78 4.78 0.0
ASSI (RESI 97 AND NAME HE# ) (RESI 20 AND NAME HB2 ) 6.14 6.14 0.0
ASSI (RESI 99 AND NAME HE# ) (RESI 20 AND NAME HB2 ) 6.45 6.45 0.0
ASSI (RESI 99 AND NAME HZ ) (RESI 20 AND NAME HB2 ) 4.58 4.58 0.0
ASSI (RESI 106 AND NAME HB2 ) (RESI 20 AND NAME HB2 ) 6.83 6.83 0.0
ASSI (RESI 106 AND NAME HN ) (RESI 20 AND NAME HB2 ) 7.34 7.34 0.0
ASSI (RESI 62 AND NAME HA ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 7.23 7.23 0.0
ASSI (RESI 63 AND NAME HA ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 5.30 5.30 0.0
ASSI (RESI 63 AND NAME HB ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 3.09 3.09 0.0
ASSI (RESI 63 AND NAME HG1#) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 2.45 2.45 0.0
ASSI (RESI 63 AND NAME HG2#) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 2.20 2.20 0.0
ASSI (RESI 63 AND NAME HN ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 4.50 4.50 0.0
ASSI (RESI 64 AND NAME HN ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 6.10 6.10 0.0
ASSI (RESI 65 AND NAME HD1#) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 2.49 2.49 0.0
ASSI (RESI 65 AND NAME HD2#) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 2.43 2.43 0.0
ASSI (RESI 65 AND NAME HG ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 4.69 4.69 0.0
ASSI (RESI 71 AND NAME HD# ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 2.42 2.42 0.0
ASSI (RESI 71 AND NAME HE# ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 3.15 3.15 0.0
ASSI (RESI 72 AND NAME HN ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 5.85 5.85 0.0
ASSI (RESI 96 AND NAME HA ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 6.64 6.64 0.0
ASSI (RESI 97 AND NAME HA ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 6.16 6.16 0.0
ASSI (RESI 97 AND NAME HB1 ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 4.17 4.17 0.0
ASSI (RESI 97 AND NAME HB2 ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 4.03 4.03 0.0
ASSI (RESI 97 AND NAME HD# ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 2.59 2.59 0.0
ASSI (RESI 97 AND NAME HE# ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 3.47 3.47 0.0
ASSI (RESI 97 AND NAME HN ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 4.85 4.85 0.0
ASSI (RESI 99 AND NAME HD# ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 4.71 4.71 0.0
ASSI (RESI 99 AND NAME HE# ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 3.34 3.34 0.0
ASSI (RESI 99 AND NAME HZ ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 2.45 2.45 0.0
ASSI (RESI 105 AND NAME HA ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 6.11 6.11 0.0
ASSI (RESI 106 AND NAME HB2 ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 4.70 4.70 0.0
ASSI (RESI 106 AND NAME HN ) ((RESI 20 AND NAME HD1#) or (RESI 20 AND NAME HD2#)) 4.89 4.89 0.0
ASSI (RESI 99 AND NAME HE# ) (RESI 20 AND NAME HG ) 6.18 6.18 0.0
ASSI (RESI 99 AND NAME HZ ) (RESI 20 AND NAME HG ) 4.43 4.43 0.0
ASSI (RESI 97 AND NAME HD# ) (RESI 20 AND NAME HN ) 4.45 4.45 0.0
ASSI (RESI 97 AND NAME HE# ) (RESI 20 AND NAME HN ) 4.23 4.23 0.0
ASSI (RESI 105 AND NAME HA ) (RESI 20 AND NAME HN ) 6.75 6.75 0.0
ASSI (RESI 105 AND NAME HB1 ) (RESI 20 AND NAME HN ) 7.53 7.53 0.0
ASSI (RESI 105 AND NAME HB2 ) (RESI 20 AND NAME HN ) 6.98 6.98 0.0
ASSI (RESI 105 AND NAME HD# ) (RESI 20 AND NAME HN ) 6.53 6.53 0.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 20 AND NAME HN ) 7.33 7.33 0.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 20 AND NAME HN ) 7.00 7.00 0.0
ASSI (RESI 106 AND NAME HB1 ) (RESI 20 AND NAME HN ) 5.94 5.94 0.0
ASSI (RESI 106 AND NAME HN ) (RESI 20 AND NAME HN ) 4.41 4.41 0.0
ASSI (RESI 107 AND NAME HN ) (RESI 20 AND NAME HN ) 7.15 7.15 0.0
ASSI ((RESI 109 AND NAME HG1#) or (RESI 109 AND NAME HG2#)) (RESI 20 AND NAME HN ) 7.28 7.28 0.0
ASSI (RESI 99 AND NAME HE# ) (RESI 21 AND NAME HA ) 6.93 6.93 0.0
ASSI (RESI 105 AND NAME HA ) (RESI 21 AND NAME HA ) 3.85 3.85 0.0
ASSI (RESI 105 AND NAME HB1 ) (RESI 21 AND NAME HA ) 8.76 8.76 0.0
ASSI (RESI 105 AND NAME HB2 ) (RESI 21 AND NAME HA ) 7.70 7.70 0.0
ASSI (RESI 105 AND NAME HD# ) (RESI 21 AND NAME HA ) 7.00 7.00 0.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 21 AND NAME HA ) 8.21 8.21 0.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 21 AND NAME HA ) 9.03 9.03 0.0
ASSI (RESI 106 AND NAME HN ) (RESI 21 AND NAME HA ) 6.49 6.49 0.0
ASSI (RESI 105 AND NAME HA ) (RESI 21 AND NAME HB1 ) 6.84 6.84 0.0
ASSI (RESI 105 AND NAME HB2 ) (RESI 21 AND NAME HB1 ) 7.20 7.20 0.0
ASSI (RESI 105 AND NAME HD# ) (RESI 21 AND NAME HB1 ) 6.14 6.14 0.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 21 AND NAME HB1 ) 6.42 6.42 0.0
ASSI (RESI 105 AND NAME HA ) (RESI 21 AND NAME HB2 ) 6.72 6.72 0.0
ASSI (RESI 105 AND NAME HB1 ) (RESI 21 AND NAME HB2 ) 7.48 7.48 0.0
ASSI (RESI 105 AND NAME HB2 ) (RESI 21 AND NAME HB2 ) 6.92 6.92 0.0
ASSI (RESI 105 AND NAME HD# ) (RESI 21 AND NAME HB2 ) 5.59 5.59 0.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 21 AND NAME HB2 ) 6.86 6.86 0.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 21 AND NAME HB2 ) 6.14 6.14 0.0
ASSI (RESI 105 AND NAME HB1 ) (RESI 21 AND NAME HN ) 7.72 7.72 0.0
ASSI (RESI 105 AND NAME HB2 ) (RESI 21 AND NAME HN ) 7.72 7.72 0.0
ASSI (RESI 105 AND NAME HA ) (RESI 21 AND NAME HN ) 6.51 6.51 0.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 21 AND NAME HN ) 7.75 7.75 0.0
ASSI (RESI 106 AND NAME HN ) (RESI 21 AND NAME HN ) 6.71 6.71 0.0
ASSI (RESI 99 AND NAME HD# ) (RESI 22 AND NAME HB1 ) 7.62 7.62 0.0
ASSI (RESI 99 AND NAME HE# ) (RESI 22 AND NAME HB1 ) 6.00 6.00 0.0
ASSI (RESI 99 AND NAME HZ ) (RESI 22 AND NAME HB1 ) 7.00 7.00 0.0
ASSI (RESI 104 AND NAME HA ) (RESI 22 AND NAME HB1 ) 5.54 5.54 0.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 22 AND NAME HB1 ) 5.55 5.55 0.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 22 AND NAME HB1 ) 5.68 5.68 0.0
ASSI (RESI 63 AND NAME HG1#) (RESI 22 AND NAME HB2 ) 5.02 5.02 0.0
ASSI (RESI 104 AND NAME HA ) (RESI 22 AND NAME HB2 ) 4.91 4.91 0.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 22 AND NAME HB2 ) 5.31 5.31 0.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 22 AND NAME HB2 ) 5.42 5.42 0.0
ASSI (RESI 105 AND NAME HA ) (RESI 22 AND NAME HB2 ) 6.82 6.82 0.0
ASSI (RESI 61 AND NAME HE1 ) (RESI 22 AND NAME HD1# ) 6.12 6.12 0.0
ASSI (RESI 61 AND NAME HE2 ) (RESI 22 AND NAME HD1# ) 5.63 5.63 0.0
ASSI (RESI 61 AND NAME HG2 ) (RESI 22 AND NAME HD1# ) 5.70 5.70 0.0
ASSI (RESI 63 AND NAME HB ) (RESI 22 AND NAME HD1# ) 5.85 5.85 0.0
ASSI (RESI 63 AND NAME HG1#) (RESI 22 AND NAME HD1# ) 2.67 2.67 0.0
ASSI (RESI 63 AND NAME HG2#) (RESI 22 AND NAME HD1# ) 3.85 3.85 0.0
ASSI (RESI 71 AND NAME HE# ) (RESI 22 AND NAME HD1# ) 5.21 5.21 0.0
ASSI (RESI 99 AND NAME HD# ) (RESI 22 AND NAME HD1# ) 5.77 5.77 0.0
ASSI (RESI 99 AND NAME HE# ) (RESI 22 AND NAME HD1# ) 4.21 4.21 0.0
ASSI (RESI 99 AND NAME HZ ) (RESI 22 AND NAME HD1# ) 3.86 3.86 0.0
ASSI (RESI 104 AND NAME HA ) (RESI 22 AND NAME HD1# ) 6.01 6.01 0.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 22 AND NAME HD1# ) 6.52 6.52 0.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 22 AND NAME HD1# ) 6.87 6.87 0.0
ASSI (RESI 105 AND NAME HA ) (RESI 22 AND NAME HD1# ) 7.18 7.18 0.0
ASSI (RESI 61 AND NAME HD1 ) (RESI 22 AND NAME HD2# ) 5.09 5.09 0.0
ASSI (RESI 61 AND NAME HE1 ) (RESI 22 AND NAME HD2# ) 3.58 3.58 0.0
ASSI (RESI 61 AND NAME HE2 ) (RESI 22 AND NAME HD2# ) 3.05 3.05 0.0
ASSI (RESI 61 AND NAME HG2 ) (RESI 22 AND NAME HD2# ) 5.78 5.78 0.0
ASSI (RESI 62 AND NAME HA ) (RESI 22 AND NAME HD2# ) 7.58 7.58 0.0
ASSI (RESI 63 AND NAME HB ) (RESI 22 AND NAME HD2# ) 5.66 5.66 0.0
ASSI (RESI 63 AND NAME HG1#) (RESI 22 AND NAME HD2# ) 2.87 2.87 0.0
ASSI (RESI 71 AND NAME HE# ) (RESI 22 AND NAME HD2# ) 7.20 7.20 0.0
ASSI (RESI 73 AND NAME HG2#) (RESI 22 AND NAME HD2# ) 4.68 4.68 0.0
ASSI (RESI 99 AND NAME HB1 ) (RESI 22 AND NAME HD2# ) 6.58 6.58 0.0
ASSI (RESI 99 AND NAME HD# ) (RESI 22 AND NAME HD2# ) 4.49 4.49 0.0
ASSI (RESI 99 AND NAME HE# ) (RESI 22 AND NAME HD2# ) 3.94 3.94 0.0
ASSI (RESI 99 AND NAME HZ ) (RESI 22 AND NAME HD2# ) 4.28 4.28 0.0
ASSI (RESI 104 AND NAME HA ) (RESI 22 AND NAME HD2# ) 3.60 3.60 0.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 22 AND NAME HD2# ) 4.92 4.92 0.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 22 AND NAME HD2# ) 5.11 5.11 0.0
ASSI (RESI 105 AND NAME HA ) (RESI 22 AND NAME HD2# ) 6.69 6.69 0.0
ASSI (RESI 105 AND NAME HN ) (RESI 22 AND NAME HD2# ) 7.59 7.59 0.0
ASSI (RESI 99 AND NAME HD# ) ((RESI 22 AND NAME HG) or (RESI 22 AND NAME HB2)) 6.12 6.12 0.0
ASSI (RESI 99 AND NAME HE# ) ((RESI 22 AND NAME HG) or (RESI 22 AND NAME HB2)) 4.21 4.21 0.0
ASSI (RESI 99 AND NAME HZ ) ((RESI 22 AND NAME HG) or (RESI 22 AND NAME HB2)) 4.70 4.70 0.0
ASSI (RESI 63 AND NAME HG1#) (RESI 22 AND NAME HN ) 8.29 8.29 0.0
ASSI (RESI 99 AND NAME HD# ) (RESI 22 AND NAME HN ) 8.03 8.03 0.0
ASSI (RESI 99 AND NAME HE# ) (RESI 22 AND NAME HN ) 5.60 5.60 0.0
ASSI (RESI 99 AND NAME HZ ) (RESI 22 AND NAME HN ) 7.85 7.85 0.0
ASSI (RESI 104 AND NAME HA ) (RESI 22 AND NAME HN ) 6.16 6.16 0.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 22 AND NAME HN ) 6.11 6.11 0.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 22 AND NAME HN ) 6.05 6.05 0.0
ASSI (RESI 105 AND NAME HA ) (RESI 22 AND NAME HN ) 4.98 4.98 0.0
ASSI (RESI 105 AND NAME HB1 ) (RESI 22 AND NAME HN ) 8.20 8.20 0.0
ASSI (RESI 105 AND NAME HB2 ) (RESI 22 AND NAME HN ) 7.17 7.17 0.0
ASSI (RESI 105 AND NAME HD# ) (RESI 22 AND NAME HN ) 7.05 7.05 0.0
ASSI (RESI 105 AND NAME HG1 ) (RESI 22 AND NAME HN ) 7.12 7.12 0.0
ASSI (RESI 105 AND NAME HG2 ) (RESI 22 AND NAME HN ) 7.12 7.12 0.0
ASSI (RESI 105 AND NAME HN ) (RESI 22 AND NAME HN ) 7.84 7.84 0.0
ASSI (RESI 106 AND NAME HN ) (RESI 22 AND NAME HN ) 6.33 6.33 0.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 23 AND NAME HB1 ) 6.43 6.43 0.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 23 AND NAME HB1 ) 5.89 5.89 0.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 23 AND NAME HB2 ) 6.47 6.47 0.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 23 AND NAME HB2 ) 6.57 6.57 0.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 23 AND NAME HD21 ) 6.08 6.08 0.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 23 AND NAME HD22 ) 5.72 5.72 0.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 23 AND NAME HD22 ) 5.46 5.46 0.0
ASSI (RESI 104 AND NAME HB1 ) (RESI 23 AND NAME HN ) 6.73 6.73 0.0
ASSI (RESI 104 AND NAME HB2 ) (RESI 23 AND NAME HN ) 6.59 6.59 0.0
!
! EOF
!
! CHIPS-C5aR(P7-28S) complex
! Additional restraint file of intramolecular protein-protein NOE's between
! hydroxyl threonine atoms and other protons.
!
! 6.
! CHIPS complex CHIPS-C5aR(P7-28S) intermolecular distance restraints.
! 3D-13C-edited-13C filtered HSQC-NOESY alifatic (900 MHz, expno20, 200 ms mixing time).
! Spin diffusion low intensity peaks translated into distance restraints using
! empirical R^4.5 translation, i.e. just inbetween R^3 and R^6 relaxation averaging.
! Intensity of the HG2# Thr53 - HE# sTyr14 NOE peak is scaled to a yardstick distance
! of approx. 2.2 angstrom.
!
! Note that this list is only a subset of intramolecular CHIPS protein-protein NOE's
! going from 13C-labelled resonances to the solvent protected hydroxyl groups HG1 of
! residues Thr53 and Thr96.
!
ASSI (RESI 49 AND NAME HA ) (RESI 53 AND NAME HG1 ) 4.21 4.21 1.0
ASSI (RESI 49 AND NAME HD1# ) (RESI 53 AND NAME HG1 ) 4.06 4.06 1.0
ASSI (RESI 49 AND NAME HD2# ) (RESI 53 AND NAME HG1 ) 3.73 3.73 1.0
ASSI (RESI 49 AND NAME HG ) (RESI 53 AND NAME HG1 ) 4.14 4.14 1.0
ASSI (RESI 50 AND NAME HA ) (RESI 53 AND NAME HG1 ) 3.48 3.48 1.0
ASSI (RESI 50 AND NAME HB1 ) (RESI 53 AND NAME HG1 ) 4.52 4.52 1.0
ASSI (RESI 50 AND NAME HG1 ) (RESI 53 AND NAME HG1 ) 4.81 4.81 1.0
ASSI (RESI 50 AND NAME HG2 ) (RESI 53 AND NAME HG1 ) 5.03 5.03 1.0
ASSI (RESI 52 AND NAME HA1 ) (RESI 53 AND NAME HG1 ) 5.88 5.88 1.0
ASSI (RESI 52 AND NAME HA2 ) (RESI 53 AND NAME HG1 ) 5.76 5.76 1.0
ASSI (RESI 53 AND NAME HA ) (RESI 53 AND NAME HG1 ) 3.72 3.72 1.0
ASSI (RESI 53 AND NAME HB ) (RESI 53 AND NAME HG1 ) 3.59 3.59 1.0
ASSI (RESI 53 AND NAME HG2# ) (RESI 53 AND NAME HG1 ) 2.53 2.53 1.0
ASSI (RESI 56 AND NAME HA ) (RESI 53 AND NAME HG1 ) 4.25 4.25 1.0
ASSI (RESI 56 AND NAME HB1 ) (RESI 53 AND NAME HG1 ) 3.87 3.87 1.0
ASSI (RESI 56 AND NAME HB2 ) (RESI 53 AND NAME HG1 ) 3.95 3.95 1.0
ASSI (RESI 41 AND NAME HD2# ) (RESI 96 AND NAME HG1 ) 3.00 3.00 1.0
ASSI (RESI 41 AND NAME HD1# ) (RESI 96 AND NAME HG1 ) 4.19 4.19 1.0
ASSI (RESI 45 AND NAME HD2# ) (RESI 96 AND NAME HG1 ) 3.00 3.00 1.0
ASSI (RESI 45 AND NAME HD1# ) (RESI 96 AND NAME HG1 ) 3.76 3.76 1.0
ASSI (RESI 64 AND NAME HA ) (RESI 96 AND NAME HG1 ) 3.75 3.75 1.0
ASSI (RESI 64 AND NAME HD1# ) (RESI 96 AND NAME HG1 ) 4.19 4.19 1.0
ASSI (RESI 64 AND NAME HG11 ) (RESI 96 AND NAME HG1 ) 4.75 4.75 1.0
ASSI (RESI 64 AND NAME HG12 ) (RESI 96 AND NAME HG1 ) 4.31 4.31 1.0
ASSI (RESI 64 AND NAME HG2# ) (RESI 96 AND NAME HG1 ) 3.09 3.09 1.0
!ASSI (RESI 66 AND NAME HA ) (RESI 96 AND NAME HG1 ) 5.17 5.17 1.0 ! spin diffusion
ASSI (RESI 66 AND NAME HG2# ) (RESI 96 AND NAME HG1 ) 6.0 6.0 1.0 ! spin diffusion 4.64 -> 6.0
ASSI (RESI 93 AND NAME HB1 ) (RESI 96 AND NAME HG1 ) 5.19 5.19 1.0
ASSI (RESI 93 AND NAME HB2 ) (RESI 96 AND NAME HG1 ) 4.77 4.77 1.0
ASSI (RESI 93 AND NAME HE# ) (RESI 96 AND NAME HG1 ) 2.60 2.60 1.0
ASSI (RESI 93 AND NAME HG# ) (RESI 96 AND NAME HG1 ) 3.37 3.37 1.0
ASSI (RESI 95 AND NAME HA ) (RESI 96 AND NAME HG1 ) 3.99 3.99 1.0
ASSI (RESI 96 AND NAME HA ) (RESI 96 AND NAME HG1 ) 3.43 3.43 1.0
ASSI (RESI 96 AND NAME HB ) (RESI 96 AND NAME HG1 ) 2.88 2.88 1.0
ASSI (RESI 96 AND NAME HG2# ) (RESI 96 AND NAME HG1 ) 2.84 2.84 1.0
ASSI (RESI 97 AND NAME HA ) (RESI 96 AND NAME HG1 ) 5.44 5.44 1.0
!ASSI (RESI 108 AND NAME HA ) (RESI 96 AND NAME HG1 ) 4.44 4.44 1.0
ASSI (RESI 109 AND NAME HG1# ) (RESI 96 AND NAME HG1 ) 6.0 4.91 1.0 ! spin diffusion
ASSI (RESI 109 AND NAME HG2# ) (RESI 96 AND NAME HG1 ) 6.0 4.75 1.0 ! spin diffusion
ASSI (RESI 110 AND NAME HB ) (RESI 96 AND NAME HG1 ) 3.93 3.93 1.0
ASSI (RESI 110 AND NAME HD1# ) (RESI 96 AND NAME HG1 ) 4.46 4.46 1.0
ASSI (RESI 110 AND NAME HG2# ) (RESI 96 AND NAME HG1 ) 3.49 3.49 1.0
!
! 7.
! Additional intermolecular restraints from the 2D filtered version of the spectrum
! (900 MHz, expno8).
! Also contains additional HG1 to amide proton HN restraints.
!
! Restraints commented out when doubly present in the above list of file 6.
!
! ASSI (RESI 53 AND NAME HG2# ) (RESI 53 AND NAME HG1 ) 2.78 2.78 1.0
ASSI (RESI 53 AND NAME HN ) (RESI 53 AND NAME HG1 ) 2.79 2.79 1.0
ASSI (RESI 45 AND NAME HA ) (RESI 96 AND NAME HG1 ) 5.92 5.92 1.0
!ASSI (RESI 45 AND NAME HD2# ) (RESI 96 AND NAME HG1 ) 3.70 3.70 1.0
!ASSI (RESI 45 AND NAME HD1# ) (RESI 96 AND NAME HG1 ) 3.20 3.20 1.0
ASSI (RESI 63 AND NAME HN ) (RESI 96 AND NAME HG1 ) 6.64 6.64 1.0
!ASSI (RESI 64 AND NAME HA ) (RESI 96 AND NAME HG1 ) 5.09 5.09 1.0
!ASSI (RESI 64 AND NAME HD1# ) (RESI 96 AND NAME HG1 ) 3.43 3.43 1.0
!ASSI (RESI 64 AND NAME HG11 ) (RESI 96 AND NAME HG1 ) 4.28 4.28 1.0
!ASSI (RESI 64 AND NAME HG12 ) (RESI 96 AND NAME HG1 ) 5.94 5.94 1.0
!ASSI (RESI 64 AND NAME HG2# ) (RESI 96 AND NAME HG1 ) 3.34 3.34 1.0
! The following two restraints are excluded, no realistic distance
! ASSI (RESI 72 AND NAME HD# ) (RESI 96 AND NAME HG1 ) 5.13 5.13 1.0
! ASSI (RESI 72 AND NAME HN ) (RESI 96 AND NAME HG1 ) 5.36 5.36 1.0
ASSI (RESI 93 AND NAME HA ) (RESI 96 AND NAME HG1 ) 6.02 6.02 1.0
!ASSI (RESI 93 AND NAME HB1 ) (RESI 96 AND NAME HG1 ) 5.83 5.83 1.0
!ASSI (RESI 93 AND NAME HE# ) (RESI 96 AND NAME HG1 ) 2.74 2.74 1.0
!ASSI (RESI 93 AND NAME HG# ) (RESI 96 AND NAME HG1 ) 3.88 3.88 1.0
!ASSI (RESI 95 AND NAME HA ) (RESI 96 AND NAME HG1 ) 3.47 3.47 1.0
!ASSI (RESI 96 AND NAME HA ) (RESI 96 AND NAME HG1 ) 3.92 3.92 1.0
!ASSI (RESI 96 AND NAME HB ) (RESI 96 AND NAME HG1 ) 3.19 3.19 1.0
!ASSI (RESI 96 AND NAME HG2# ) (RESI 96 AND NAME HG1 ) 2.98 2.98 1.0
ASSI (RESI 96 AND NAME HN ) (RESI 96 AND NAME HG1 ) 3.68 3.68 1.0
ASSI (RESI 97 AND NAME HN ) (RESI 96 AND NAME HG1 ) 3.27 3.27 1.0
ASSI (RESI 109 AND NAME HA ) (RESI 96 AND NAME HG1 ) 6.0 5.90 1.0 ! spin diffusion
ASSI (RESI 109 AND NAME HB ) (RESI 96 AND NAME HG1 ) 6.0 4.18 1.0 ! spin diffusion
ASSI ((RESI 109 AND NAME HG1# ) or (RESI 109 AND NAME HG1# )) (RESI 96 AND NAME HG1 ) 5.27 5.27 1.0
!ASSI (RESI 110 AND NAME HB ) (RESI 96 AND NAME HG1 ) 4.20 4.20 1.0
!ASSI (RESI 110 AND NAME HD1# ) (RESI 96 AND NAME HG1 ) 4.91 4.91 1.0
!ASSI (RESI 110 AND NAME HG2# ) (RESI 96 AND NAME HG1 ) 4.05 4.05 1.0
ASSI (RESI 110 AND NAME HN ) (RESI 96 AND NAME HG1 ) 6.13 6.13 1.0
!
! EOF
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