ARECA's report on LEU85

Residue probability: 0.853
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 177.473 177.056 1.929 0.000 0.000
CA 56.544 55.735 3.802 0.567 1.000
CB 45.136 42.389 3.750 1.000 1.000
CG 28.122 26.892 3.086 0.625 1.000
CD1 25.912 24.837 3.657 1.000 1.000
CD2 24.399 24.201 3.117 1.000 1.000
N 119.164 121.785 4.943 0.875 1.000
HA 4.604 4.315 0.840 0.908 1.000
HB2 1.666 1.601 0.373 0.850 1.000
HB3 1.894 1.508 0.398 0.875 1.000
HG 1.678 1.510 0.340 0.875 1.000
HD1 0.611 0.739 0.294 0.715 1.000
HD2 0.789 0.727 0.421 0.857 1.000
H 7.417 8.237 0.647 0.941 1.000

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Detailed Probabilities of LEU(85)-CA:

Overall probability: 0.567
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU84 0.67 1.00
LEU85 0.69 1.00
LYS86 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
L84HA 1.00
L85HB2 1.00
L85HB3 1.00
L85HG 1.00
L85HD11 0.99
L85HD21 0.99
L85H 1.00
L85HA 1.00
K86HA 1.00
K86H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU84 HA 1.00 0.133 0.00 0.00
LEU84 HB3 0.93 0.019 1.00 0.23
LEU84 H 0.93 0.027 1.00 0.34
LEU85 HA 1.00 0.032 0.80 0.00
LEU85 HB2 1.00 0.012 1.00 1.69
LEU85 HB3 1.00 0.008 1.00 0.36
LEU85 HG 1.00 0.000 1.00 1.69
LEU85 HD11 0.99 0.049 0.01 0.00
LEU85 HD21 0.99 0.000 1.00 1.65
LEU85 H 1.00 0.198 0.00 0.00
LYS86 HA 1.00 0.203 0.00 0.00
LYS86 H 1.00 0.225 0.00 0.00

Detailed Probabilities of LEU(85)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU85 1.00 1.00
LYS86 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L85HA 1.00
L85HB3 1.00
L85HG 1.00
L85HD11 1.00
L85HD21 1.00
L85H 1.00
L85HB2 1.00
K86H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU85 HA 1.00 0.004 1.00 0.66
LEU85 HB2 1.00 0.009 1.00 3.20
LEU85 HB3 1.00 0.007 1.00 1.42
LEU85 HG 1.00 0.003 1.00 3.20
LEU85 HD11 1.00 0.003 1.00 0.51
LEU85 HD21 1.00 0.005 1.00 0.50
LEU85 H 1.00 0.003 1.00 0.33
LYS86 H 1.00 0.003 1.00 0.17

Detailed Probabilities of LEU(85)-CG:

Overall probability: 0.625
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU85 0.57 1.00
LYS86 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L85HA 1.00
L85HB2 1.00
L85HB3 1.00
L85HD11 1.00
L85HD21 1.00
L85H 1.00
L85HG 1.00
K86H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU85 HA 1.00 0.006 1.00 1.02
LEU85 HB2 1.00 0.087 0.00 0.00
LEU85 HB3 1.00 0.007 1.00 1.49
LEU85 HG 1.00 0.099 0.00 0.00
LEU85 HD11 1.00 0.174 0.00 0.00
LEU85 HD21 1.00 0.004 1.00 1.49
LEU85 H 1.00 0.000 1.00 0.77
LYS86 H 0.98 0.003 1.00 0.22

Detailed Probabilities of LEU(85)-CD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU85 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L85HA 0.99
L85HB2 1.00
L85HB3 1.00
L85HG 1.00
L85HD12 1.00
L85HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU85 HA 0.99 0.004 1.00 1.04
LEU85 HB2 1.00 0.011 1.00 2.86
LEU85 HB3 1.00 0.002 1.00 1.33
LEU85 HG 1.00 0.001 1.00 2.86
LEU85 HD11 1.00 0.002 1.00 110.72
LEU85 HD21 1.00 0.008 1.00 4.33
LEU85 H 0.86 0.002 1.00 0.60

Detailed Probabilities of LEU(85)-CD2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU85 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L85HA 0.99
L85HB2 1.00
L85HB3 1.00
L85HG 1.00
L85HD11 1.00
L85HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU85 HA 0.99 0.004 1.00 2.57
LEU85 HB2 1.00 0.011 1.00 3.03
LEU85 HB3 1.00 0.004 1.00 1.02
LEU85 HG 1.00 0.001 1.00 3.03
LEU85 HD11 1.00 0.003 1.00 4.37
LEU85 HD21 1.00 0.003 1.00 151.94
LEU85 H 0.85 0.005 1.00 0.63

Detailed Probabilities of LEU(85)-N:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU84 0.71 1.00
LEU85 1.00 1.00
LYS86 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L84HB3 1.00
L84HB2 1.00
L84HA 1.00
L84H 1.00
L84HG 0.98
L85HA 1.00
L85HB2 1.00
L85HB3 1.00
L85HG 1.00
L85H 1.00
K86H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU84 HA 1.00 0.003 1.00 -663517.00
LEU84 HB2 1.00 0.044 0.00 0.00
LEU84 HB3 1.00 0.043 0.00 0.00
LEU84 HG 0.98 0.022 1.00 -2851216.00
LEU84 H 1.00 0.002 1.00 -3151074.00
LEU84 HD11 0.53 0.009 1.00 -208930.00
LEU84 HD21 0.58 0.028 1.00 -471607.00
LEU85 HA 1.00 0.008 1.00 -1920018.00
LEU85 HB2 1.00 0.017 1.00 -2851216.00
LEU85 HB3 1.00 0.010 1.00 -2040722.00
LEU85 HG 1.00 0.005 1.00 -2851216.00
LEU85 H 1.00 0.001 1.00 -13629436.00
LEU85 HD11 0.88 0.005 1.00 -805266.00
LEU85 HD21 0.87 0.000 1.00 -562560.00
LYS86 H 1.00 0.001 1.00 -2656679.00
LYS86 HA 0.89 0.004 1.00 -152125.00

Detailed Probabilities of LEU(85)-HA:

Overall probability: 0.908
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU84 0.75 1.00
LEU85 0.97 1.00
LYS86 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L84HA 1.00
L85HB2 1.00
L85HB3 1.00
L85HG 1.00
L85HD11 0.99
L85HD21 0.99
L85H 1.00
L85HA 1.00
K86HA 1.00
K86H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU84 HA 1.00 0.187 0.00 0.00
LEU84 HB2 0.65 0.020 1.00 0.11
LEU84 HB3 0.93 0.023 1.00 0.09
LEU84 H 0.93 0.026 1.00 -813356.00
LEU85 HA 1.00 0.032 0.80 0.00
LEU85 HB2 1.00 0.004 1.00 0.66
LEU85 HB3 1.00 0.004 1.00 0.54
LEU85 HG 1.00 0.006 1.00 1.02
LEU85 HD11 0.99 0.004 1.00 1.04
LEU85 HD21 0.99 0.004 1.00 2.57
LEU85 H 1.00 0.008 1.00 -1920018.00
LYS86 HA 1.00 0.006 1.00 0.07
LYS86 H 1.00 0.017 1.00 -874399.00

Detailed Probabilities of LEU(85)-HB2:

Overall probability: 0.850
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU85 0.86 1.00
LYS86 0.80 1.00

Expected NOESY Contacts
Proton Expected probability
L85HA 1.00
L85HB3 1.00
L85HG 1.00
L85HD11 1.00
L85HD21 1.00
L85H 1.00
L85HB2 1.00
K86H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU85 HA 1.00 0.012 1.00 1.69
LEU85 HB2 1.00 0.009 1.00 3.20
LEU85 HB3 1.00 0.007 1.00 2.01
LEU85 HG 1.00 0.087 0.00 0.00
LEU85 HD11 1.00 0.011 1.00 2.86
LEU85 HD21 1.00 0.011 1.00 3.03
LEU85 H 1.00 0.017 1.00 -2851216.00
LYS86 H 1.00 0.032 0.80 0.00

Detailed Probabilities of LEU(85)-HB3:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU85 1.00 1.00
LYS86 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
L85HA 1.00
L85HB2 1.00
L85HG 1.00
L85HD11 1.00
L85HD21 1.00
L85H 1.00
L85HB3 1.00
K86H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU85 HA 1.00 0.008 1.00 0.36
LEU85 HB2 1.00 0.007 1.00 1.42
LEU85 HB3 1.00 0.003 1.00 1.60
LEU85 HG 1.00 0.007 1.00 1.49
LEU85 HD11 1.00 0.002 1.00 1.33
LEU85 HD21 1.00 0.004 1.00 1.02
LEU85 H 1.00 0.010 1.00 -2040722.00
LYS86 H 1.00 0.067 0.00 0.00

Detailed Probabilities of LEU(85)-HG:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU85 0.86 1.00
LYS86 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L85HA 1.00
L85HB2 1.00
L85HB3 1.00
L85HD11 1.00
L85HD21 1.00
L85H 1.00
L85HG 1.00
K86H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU85 HA 1.00 0.000 1.00 1.69
LEU85 HB2 1.00 0.003 1.00 3.20
LEU85 HB3 1.00 0.005 1.00 2.01
LEU85 HG 1.00 0.099 0.00 0.00
LEU85 HD11 1.00 0.001 1.00 2.86
LEU85 HD21 1.00 0.001 1.00 3.03
LEU85 H 1.00 0.005 1.00 -2851216.00
LYS86 H 0.98 0.020 1.00 -988804.00

Detailed Probabilities of LEU(85)-HD11:

Overall probability: 0.715
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU85 0.72 1.00

Expected NOESY Contacts
Proton Expected probability
L85HA 0.99
L85HB2 1.00
L85HB3 1.00
L85HG 1.00
L85HD12 1.00
L85HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU85 HA 0.99 0.049 0.01 0.00
LEU85 HB2 1.00 0.003 1.00 0.51
LEU85 HB3 1.00 0.003 1.00 0.47
LEU85 HG 1.00 0.174 0.00 0.00
LEU85 HD11 1.00 0.002 1.00 110.72
LEU85 HD21 1.00 0.003 1.00 4.37
LEU85 H 0.86 0.005 1.00 -805266.00

Detailed Probabilities of LEU(85)-HD21:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU85 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
L85HA 0.99
L85HB2 1.00
L85HB3 1.00
L85HG 1.00
L85HD11 1.00
L85HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU85 HA 0.99 0.000 1.00 1.65
LEU85 HB2 1.00 0.005 1.00 0.50
LEU85 HB3 1.00 0.066 0.00 0.00
LEU85 HG 1.00 0.004 1.00 1.49
LEU85 HD11 1.00 0.008 1.00 4.33
LEU85 HD21 1.00 0.003 1.00 151.94
LEU85 H 0.85 0.000 1.00 -562560.00

Detailed Probabilities of LEU(85)-H:

Overall probability: 0.941
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU84 1.00 1.00
LEU85 0.86 1.00
LYS86 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L84HB3 1.00
L84HB2 1.00
L84HA 1.00
L84H 1.00
L84HG 0.98
L85HA 1.00
L85HB2 1.00
L85HB3 1.00
L85HG 1.00
L85H 1.00
K86H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU84 HA 1.00 0.007 1.00 0.19
LEU84 HB2 1.00 0.004 1.00 0.24
LEU84 HB3 1.00 0.005 1.00 0.34
LEU84 HG 0.98 0.013 1.00 0.83
LEU84 H 1.00 0.002 1.00 -3091128.00
LEU84 HD11 0.53 0.005 1.00 0.19
LEU84 HD21 0.58 0.009 1.00 0.24
LEU85 HA 1.00 0.198 0.00 0.00
LEU85 HB2 1.00 0.003 1.00 0.33
LEU85 HB3 1.00 0.002 1.00 0.42
LEU85 HG 1.00 0.000 1.00 0.77
LEU85 H 1.00 0.001 1.00 -13629436.00
LEU85 HD11 0.88 0.002 1.00 0.60
LEU85 HD21 0.87 0.005 1.00 0.63
LYS86 H 1.00 0.001 1.00 -2185830.00
LYS86 HA 0.89 0.020 1.00 0.10
LYS86 HB2 0.58 0.002 1.00 0.06