ARECA's report on LEU63

Residue probability: 0.693
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 178.552 177.056 1.929 0.000 0.000
CA 56.643 55.735 3.802 0.437 1.000
CB 40.894 42.389 3.750 0.988 1.000
CG 26.770 26.892 3.086 0.752 1.000
CD1 25.212 24.837 3.657 0.833 1.000
CD2 22.932 24.201 3.117 0.144 1.000
N 120.071 121.785 4.943 0.923 1.000
HA 4.134 4.315 0.840 0.667 1.000
HB2 1.871 1.601 0.373 0.656 1.000
HB3 1.426 1.508 0.398 0.863 1.000
HG 1.620 1.510 0.340 0.750 1.000
HD1 0.741 0.739 0.294 0.572 1.000
HD2 0.709 0.727 0.421 0.573 1.000
H 7.671 8.237 0.647 0.857 1.000

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Detailed Probabilities of LEU(63)-CA:

Overall probability: 0.437
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN62 0.50 1.00
LEU63 0.43 1.00
LEU64 0.40 1.00

Expected NOESY Contacts
Proton Expected probability
Q62HA 1.00
L63HB2 1.00
L63HB3 1.00
L63HG 1.00
L63HD11 0.99
L63HD21 0.99
L63H 1.00
L63HA 1.00
L64H 1.00
L64HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN62 HA 1.00 0.166 0.00 0.00
GLN62 H 0.94 0.007 1.00 0.16
LEU63 HA 1.00 0.195 0.00 0.00
LEU63 HB2 1.00 0.220 0.00 0.00
LEU63 HB3 1.00 0.006 1.00 0.79
LEU63 HG 1.00 0.008 1.00 0.41
LEU63 HD11 0.99 0.691 0.01 0.00
LEU63 HD21 0.99 0.723 0.01 0.00
LEU63 H 1.00 0.003 1.00 0.63
LEU64 HA 1.00 0.032 0.80 0.00
LEU64 H 1.00 0.042 0.00 0.00

Detailed Probabilities of LEU(63)-CB:

Overall probability: 0.988
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU63 0.99 1.00
LEU64 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L63HA 1.00
L63HB2 1.00
L63HG 1.00
L63HD11 1.00
L63HD21 1.00
L63H 1.00
L63HB3 1.00
L64H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU63 HA 1.00 0.007 1.00 0.50
LEU63 HB2 1.00 0.001 1.00 1.81
LEU63 HB3 1.00 0.031 0.90 0.00
LEU63 HG 1.00 0.012 1.00 1.02
LEU63 HD11 1.00 0.015 1.00 1.16
LEU63 HD21 1.00 0.017 1.00 1.16
LEU63 H 1.00 0.029 1.00 0.66
LEU64 H 1.00 0.016 1.00 0.66

Detailed Probabilities of LEU(63)-CG:

Overall probability: 0.752
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU63 0.86 1.00
LEU64 0.02 1.00

Expected NOESY Contacts
Proton Expected probability
L63HA 1.00
L63HB2 1.00
L63HB3 1.00
L63HD11 1.00
L63HD21 1.00
L63H 1.00
L63HG 1.00
L64H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU63 HA 1.00 0.009 1.00 0.23
LEU63 HB2 1.00 0.023 1.00 1.00
LEU63 HB3 1.00 0.002 1.00 0.91
LEU63 HG 1.00 0.016 1.00 19.97
LEU63 HD11 1.00 0.006 1.00 1.18
LEU63 HD21 1.00 0.026 1.00 1.18
LEU63 H 1.00 0.555 0.00 0.00
LEU64 H 0.98 0.510 0.02 0.00

Detailed Probabilities of LEU(63)-CD1:

Overall probability: 0.833
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU63 0.83 1.00

Expected NOESY Contacts
Proton Expected probability
L63HA 0.99
L63HB2 1.00
L63HB3 1.00
L63HG 1.00
L63HD12 1.00
L63HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU63 HA 0.99 0.006 1.00 0.35
LEU63 HB2 1.00 0.017 1.00 2.66
LEU63 HB3 1.00 0.015 1.00 3.93
LEU63 HG 1.00 0.108 0.00 0.00
LEU63 HD11 1.00 0.014 1.00 164.25
LEU63 HD21 1.00 0.018 1.00 164.25

Detailed Probabilities of LEU(63)-CD2:

Overall probability: 0.144
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU63 0.14 1.00

Expected NOESY Contacts
Proton Expected probability
L63HA 0.99
L63HB2 1.00
L63HB3 1.00
L63HG 1.00
L63HD11 1.00
L63HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU63 HA 0.99 0.204 0.01 0.00
LEU63 HB2 1.00 0.258 0.00 0.00
LEU63 HB3 1.00 0.244 0.00 0.00
LEU63 HG 1.00 0.438 0.00 0.00
LEU63 HD11 1.00 0.129 0.00 0.00
LEU63 HD21 1.00 0.161 0.00 0.00
LEU63 H 0.85 0.024 1.00 0.42

Detailed Probabilities of LEU(63)-N:

Overall probability: 0.923
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN62 1.00 1.00
LEU63 1.00 1.00
LEU64 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
Q62HG3 0.97
Q62HB3 1.00
Q62HA 1.00
Q62H 1.00
Q62HG2 0.98
L63HA 1.00
L63HB2 1.00
L63HB3 1.00
L63HG 1.00
L63H 1.00
L64H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN62 HA 1.00 0.016 1.00 -770813.00
GLN62 HB2 1.00 0.006 1.00 -624135.00
GLN62 HG2 0.98 0.015 1.00 -136141.00
GLN62 HG3 0.97 0.016 1.00 -136141.00
GLN62 H 1.00 0.009 1.00 -1142792.00
LEU63 HA 1.00 0.013 1.00 -770813.00
LEU63 HB2 1.00 0.003 1.00 -722484.00
LEU63 HB3 1.00 0.004 1.00 -549172.00
LEU63 HG 1.00 0.007 1.00 -975670.00
LEU63 H 1.00 0.001 1.00 -6075660.00
LEU63 HD11 0.88 0.014 1.00 -554866.00
LEU63 HD21 0.87 0.018 1.00 -554866.00
LEU64 H 1.00 0.044 0.00 0.00

Detailed Probabilities of LEU(63)-HA:

Overall probability: 0.667
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN62 0.67 1.00
LEU63 0.72 1.00
LEU64 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
Q62HA 1.00
L63HB2 1.00
L63HB3 1.00
L63HG 1.00
L63HD11 0.99
L63HD21 0.99
L63H 1.00
L63HA 1.00
L64H 1.00
L64HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN62 HA 1.00 0.318 0.00 0.00
GLN62 HB2 0.72 0.026 1.00 0.94
GLN62 H 0.94 0.026 1.00 -827116.00
LEU63 HA 1.00 0.195 0.00 0.00
LEU63 HB2 1.00 0.004 1.00 0.43
LEU63 HB3 1.00 0.007 1.00 0.50
LEU63 HG 1.00 0.009 1.00 0.23
LEU63 HD11 0.99 0.006 1.00 0.35
LEU63 HD21 0.99 0.204 0.01 0.00
LEU63 H 1.00 0.013 1.00 -770813.00
LEU64 HA 1.00 0.155 0.00 0.00
LEU64 H 1.00 0.006 1.00 -318634.00

Detailed Probabilities of LEU(63)-HB2:

Overall probability: 0.656
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU63 0.57 1.00
LEU64 0.95 1.00

Expected NOESY Contacts
Proton Expected probability
L63HA 1.00
L63HB3 1.00
L63HG 1.00
L63HD11 1.00
L63HD21 1.00
L63H 1.00
L63HB2 1.00
L64H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU63 HA 1.00 0.220 0.00 0.00
LEU63 HB2 1.00 0.245 0.00 0.00
LEU63 HB3 1.00 0.001 1.00 1.81
LEU63 HG 1.00 0.023 1.00 1.00
LEU63 HD11 1.00 0.017 1.00 2.66
LEU63 HD21 1.00 0.258 0.00 0.00
LEU63 H 1.00 0.003 1.00 -722484.00
LEU64 H 1.00 0.031 0.90 0.00
LEU64 HA 0.65 0.025 1.00 0.87

Detailed Probabilities of LEU(63)-HB3:

Overall probability: 0.863
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU63 0.84 1.00
LEU64 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L63HA 1.00
L63HB2 1.00
L63HG 1.00
L63HD11 1.00
L63HD21 1.00
L63H 1.00
L63HB3 1.00
L64H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU63 HA 1.00 0.006 1.00 0.79
LEU63 HB2 1.00 0.002 1.00 1.75
LEU63 HB3 1.00 0.031 0.90 0.00
LEU63 HG 1.00 0.002 1.00 0.91
LEU63 HD11 1.00 0.015 1.00 3.93
LEU63 HD21 1.00 0.244 0.00 0.00
LEU63 H 1.00 0.004 1.00 -549172.00
LEU64 H 1.00 0.007 1.00 -702735.00

Detailed Probabilities of LEU(63)-HG:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU63 0.71 1.00
LEU64 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L63HA 1.00
L63HB2 1.00
L63HB3 1.00
L63HD11 1.00
L63HD21 1.00
L63H 1.00
L63HG 1.00
L64H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU63 HA 1.00 0.008 1.00 0.41
LEU63 HB2 1.00 0.006 1.00 0.78
LEU63 HB3 1.00 0.012 1.00 1.02
LEU63 HG 1.00 0.016 1.00 19.97
LEU63 HD11 1.00 0.108 0.00 0.00
LEU63 HD21 1.00 0.438 0.00 0.00
LEU63 H 1.00 0.007 1.00 -975670.00
LEU64 H 0.98 0.021 1.00 -1734049.00

Detailed Probabilities of LEU(63)-HD11:

Overall probability: 0.572
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU63 0.57 1.00

Expected NOESY Contacts
Proton Expected probability
L63HA 0.99
L63HB2 1.00
L63HB3 1.00
L63HG 1.00
L63HD12 1.00
L63HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU63 HA 0.99 0.691 0.01 0.00
LEU63 HB2 1.00 0.687 0.00 0.00
LEU63 HB3 1.00 0.015 1.00 1.16
LEU63 HG 1.00 0.006 1.00 1.18
LEU63 HD11 1.00 0.014 1.00 164.25
LEU63 HD21 1.00 0.129 0.00 0.00
LEU63 H 0.86 0.014 1.00 -554866.00

Detailed Probabilities of LEU(63)-HD21:

Overall probability: 0.573
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU63 0.57 1.00

Expected NOESY Contacts
Proton Expected probability
L63HA 0.99
L63HB2 1.00
L63HB3 1.00
L63HG 1.00
L63HD11 1.00
L63HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU63 HA 0.99 0.723 0.01 0.00
LEU63 HB2 1.00 0.719 0.00 0.00
LEU63 HB3 1.00 0.017 1.00 1.16
LEU63 HG 1.00 0.026 1.00 1.18
LEU63 HD11 1.00 0.018 1.00 164.25
LEU63 HD21 1.00 0.161 0.00 0.00
LEU63 H 0.85 0.018 1.00 -554866.00

Detailed Probabilities of LEU(63)-H:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLN62 1.00 1.00
LEU63 0.83 1.00
LEU64 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
Q62HG3 0.97
Q62HB3 1.00
Q62HA 1.00
Q62H 1.00
Q62HG2 0.98
L63HA 1.00
L63HB2 1.00
L63HB3 1.00
L63HG 1.00
L63H 1.00
L64H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLN62 HA 1.00 0.000 1.00 0.52
GLN62 HB2 1.00 0.003 1.00 0.33
GLN62 HG2 0.98 0.006 1.00 0.08
GLN62 HG3 0.97 0.006 1.00 0.08
GLN62 H 1.00 0.001 1.00 -1691796.00
LEU63 HA 1.00 0.003 1.00 0.63
LEU63 HB2 1.00 0.005 1.00 0.67
LEU63 HB3 1.00 0.029 1.00 0.66
LEU63 HG 1.00 0.555 0.00 0.00
LEU63 H 1.00 0.001 1.00 -6075660.00
LEU63 HD21 0.87 0.024 1.00 0.42
LEU64 H 1.00 0.046 0.00 0.00
LEU64 HA 0.93 0.030 1.00 0.00
LEU64 HB2 0.64 0.029 1.00 0.53