ARECA's report on LEU81

Residue probability: 0.770
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 173.649 177.056 1.929 0.000 0.000
CA 53.064 55.735 3.802 1.000 1.000
CB 45.777 42.389 3.750 0.800 1.000
CG 27.360 26.892 3.086 0.875 1.000
CD1 24.934 24.837 3.657 0.833 1.000
CD2 25.856 24.201 3.117 0.429 1.000
N 126.694 121.785 4.943 0.929 1.000
HA 5.269 4.315 0.840 0.900 1.000
HB2 1.919 1.601 0.373 0.875 1.000
HB3 1.356 1.508 0.398 0.875 1.000
HG 1.346 1.510 0.340 0.875 1.000
HD1 0.789 0.739 0.294 0.571 1.000
HD2 0.706 0.727 0.421 0.400 1.000
H 9.063 8.237 0.647 0.643 1.000

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Detailed Probabilities of LEU(81)-CA:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 1.00 1.00
LEU81 1.00 1.00
LEU82 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L80HA 1.00
L81HB2 1.00
L81HB3 1.00
L81HG 1.00
L81HD11 0.99
L81HD21 0.99
L81H 1.00
L81HA 1.00
L82H 1.00
L82HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 1.00 0.015 1.00 0.14
LEU80 HB2 0.65 0.003 1.00 0.14
LEU81 HA 1.00 0.002 1.00 2.06
LEU81 HB2 1.00 0.006 1.00 0.21
LEU81 HB3 1.00 0.005 1.00 0.48
LEU81 HG 1.00 0.005 1.00 0.48
LEU81 HD11 0.99 0.010 1.00 0.47
LEU81 HD21 0.99 0.007 1.00 0.22
LEU81 H 1.00 0.001 1.00 0.16
LEU82 HA 1.00 0.000 1.00 0.11
LEU82 H 1.00 0.005 1.00 0.88

Detailed Probabilities of LEU(81)-CB:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU81 0.77 1.00
LEU82 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L81HA 1.00
L81HB3 1.00
L81HG 1.00
L81HD11 1.00
L81HD21 1.00
L81H 1.00
L81HB2 1.00
L82H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU81 HA 1.00 0.002 1.00 0.20
LEU81 HB2 1.00 0.006 1.00 0.94
LEU81 HB3 1.00 0.004 1.00 1.42
LEU81 HG 1.00 0.006 1.00 1.42
LEU81 HD11 1.00 0.047 0.00 0.00
LEU81 HD21 1.00 0.036 0.40 0.00
LEU81 H 1.00 0.006 1.00 0.23
LEU82 H 1.00 0.009 1.00 0.06

Detailed Probabilities of LEU(81)-CG:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU81 0.86 1.00
LEU82 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L81HA 1.00
L81HB2 1.00
L81HB3 1.00
L81HD11 1.00
L81HD21 1.00
L81H 1.00
L81HG 1.00
L82H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU81 HA 1.00 0.001 1.00 0.33
LEU81 HB2 1.00 0.005 1.00 0.75
LEU81 HB3 1.00 0.004 1.00 6.05
LEU81 HG 1.00 0.006 1.00 6.05
LEU81 HD11 1.00 0.021 1.00 1.84
LEU81 HD21 1.00 0.062 0.00 0.00
LEU81 H 1.00 0.011 1.00 0.15
LEU82 H 0.98 0.006 1.00 0.18

Detailed Probabilities of LEU(81)-CD1:

Overall probability: 0.833
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU81 0.83 1.00

Expected NOESY Contacts
Proton Expected probability
L81HA 0.99
L81HB2 1.00
L81HB3 1.00
L81HG 1.00
L81HD12 1.00
L81HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU81 HA 0.99 0.000 1.00 1.30
LEU81 HB2 1.00 0.025 1.00 1.84
LEU81 HB3 1.00 0.015 1.00 3.41
LEU81 HG 1.00 0.025 1.00 3.41
LEU81 HD11 1.00 0.005 1.00 196.23
LEU81 HD21 1.00 0.425 0.00 0.00

Detailed Probabilities of LEU(81)-CD2:

Overall probability: 0.429
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU81 0.43 1.00

Expected NOESY Contacts
Proton Expected probability
L81HA 0.99
L81HB2 1.00
L81HB3 1.00
L81HG 1.00
L81HD11 1.00
L81HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU81 HA 0.99 0.030 1.00 0.00
LEU81 HB2 1.00 0.040 0.00 0.00
LEU81 HB3 1.00 0.087 0.00 0.00
LEU81 HG 1.00 0.097 0.00 0.00
LEU81 HD11 1.00 0.057 0.00 0.00
LEU81 HD21 1.00 0.021 1.00 164.25
LEU81 H 0.85 0.024 1.00 0.29

Detailed Probabilities of LEU(81)-N:

Overall probability: 0.929
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 0.86 1.00
LEU81 1.00 1.00
LEU82 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L80HB3 1.00
L80HB2 1.00
L80HA 1.00
L80H 1.00
L80HG 0.98
L81HA 1.00
L81HB2 1.00
L81HB3 1.00
L81HG 1.00
L81H 1.00
L82H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 1.00 0.003 1.00 -1579949.00
LEU80 HB2 1.00 0.006 1.00 -200418.00
LEU80 HB3 1.00 0.058 0.00 0.00
LEU80 HG 0.98 0.022 1.00 -352536.00
LEU80 H 1.00 0.022 1.00 -219742.00
LEU80 HD11 0.53 0.004 1.00 -1191278.00
LEU80 HD21 0.58 0.005 1.00 -1191278.00
LEU81 HA 1.00 0.006 1.00 -310552.00
LEU81 HB2 1.00 0.004 1.00 -455169.00
LEU81 HB3 1.00 0.010 1.00 -491205.00
LEU81 HG 1.00 0.000 1.00 -491205.00
LEU81 H 1.00 0.004 1.00 -4053824.00
LEU81 HD11 0.88 0.018 1.00 -1191278.00
LEU82 H 1.00 0.013 1.00 -118622.00

Detailed Probabilities of LEU(81)-HA:

Overall probability: 0.900
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 1.00 1.00
LEU81 1.00 1.00
LEU82 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
L80HA 1.00
L81HB2 1.00
L81HB3 1.00
L81HG 1.00
L81HD11 0.99
L81HD21 0.99
L81H 1.00
L81HA 1.00
L82H 1.00
L82HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 1.00 0.012 1.00 0.13
LEU81 HA 1.00 0.002 1.00 2.06
LEU81 HB2 1.00 0.002 1.00 0.20
LEU81 HB3 1.00 0.002 1.00 0.31
LEU81 HG 1.00 0.001 1.00 0.33
LEU81 HD11 0.99 0.000 1.00 1.30
LEU81 HD21 0.99 0.030 1.00 0.00
LEU81 H 1.00 0.006 1.00 -310552.00
LEU82 HA 1.00 0.048 0.00 0.00
LEU82 H 1.00 0.001 1.00 -1621019.00

Detailed Probabilities of LEU(81)-HB2:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU81 0.86 1.00
LEU82 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L81HA 1.00
L81HB3 1.00
L81HG 1.00
L81HD11 1.00
L81HD21 1.00
L81H 1.00
L81HB2 1.00
L82H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU81 HA 1.00 0.006 1.00 0.21
LEU81 HB2 1.00 0.006 1.00 0.94
LEU81 HB3 1.00 0.005 1.00 0.94
LEU81 HG 1.00 0.005 1.00 0.75
LEU81 HD11 1.00 0.025 1.00 1.84
LEU81 HD21 1.00 0.040 0.00 0.00
LEU81 H 1.00 0.004 1.00 -455169.00
LEU82 H 1.00 0.004 1.00 -134613.00

Detailed Probabilities of LEU(81)-HB3:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU81 0.86 1.00
LEU82 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L81HA 1.00
L81HB2 1.00
L81HG 1.00
L81HD11 1.00
L81HD21 1.00
L81H 1.00
L81HB3 1.00
L82H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU81 HA 1.00 0.005 1.00 0.48
LEU81 HB2 1.00 0.004 1.00 1.42
LEU81 HB3 1.00 0.029 1.00 1.91
LEU81 HG 1.00 0.004 1.00 6.05
LEU81 HD11 1.00 0.015 1.00 3.41
LEU81 HD21 1.00 0.087 0.00 0.00
LEU81 H 1.00 0.010 1.00 -491205.00
LEU82 H 1.00 0.005 1.00 -399450.00

Detailed Probabilities of LEU(81)-HG:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU81 0.86 1.00
LEU82 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L81HA 1.00
L81HB2 1.00
L81HB3 1.00
L81HD11 1.00
L81HD21 1.00
L81H 1.00
L81HG 1.00
L82H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU81 HA 1.00 0.005 1.00 0.48
LEU81 HB2 1.00 0.006 1.00 1.42
LEU81 HB3 1.00 0.019 1.00 1.91
LEU81 HG 1.00 0.006 1.00 6.05
LEU81 HD11 1.00 0.025 1.00 3.41
LEU81 HD21 1.00 0.097 0.00 0.00
LEU81 H 1.00 0.000 1.00 -491205.00
LEU82 H 0.98 0.005 1.00 -399450.00

Detailed Probabilities of LEU(81)-HD11:

Overall probability: 0.571
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU81 0.57 1.00

Expected NOESY Contacts
Proton Expected probability
L81HA 0.99
L81HB2 1.00
L81HB3 1.00
L81HG 1.00
L81HD12 1.00
L81HD21 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU81 HA 0.99 0.010 1.00 0.47
LEU81 HB2 1.00 0.047 0.00 0.00
LEU81 HB3 1.00 0.538 0.00 0.00
LEU81 HG 1.00 0.021 1.00 1.84
LEU81 HD11 1.00 0.005 1.00 196.23
LEU81 HD21 1.00 0.057 0.00 0.00
LEU81 H 0.86 0.018 1.00 -1191278.00

Detailed Probabilities of LEU(81)-HD21:

Overall probability: 0.400
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU81 0.40 1.00

Expected NOESY Contacts
Proton Expected probability
L81HA 0.99
L81HB2 1.00
L81HB3 1.00
L81HG 1.00
L81HD11 1.00
L81HD22 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU81 HA 0.99 0.007 1.00 0.22
LEU81 HB2 1.00 0.036 0.40 0.00
LEU81 HB3 1.00 0.621 0.00 0.00
LEU81 HG 1.00 0.062 0.00 0.00
LEU81 HD11 1.00 0.425 0.00 0.00
LEU81 HD21 1.00 0.021 1.00 164.25

Detailed Probabilities of LEU(81)-H:

Overall probability: 0.643
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU80 0.57 1.00
LEU81 0.83 1.00
LEU82 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
L80HB3 1.00
L80HB2 1.00
L80HA 1.00
L80H 1.00
L80HG 0.98
L81HA 1.00
L81HB2 1.00
L81HB3 1.00
L81HG 1.00
L81H 1.00
L82H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU80 HA 1.00 0.003 1.00 1.18
LEU80 HB2 1.00 0.048 0.00 0.00
LEU80 HB3 1.00 0.182 0.00 0.00
LEU80 HG 0.98 0.019 1.00 0.21
LEU80 H 1.00 0.459 0.00 0.00
LEU80 HD11 0.53 0.007 1.00 0.55
LEU80 HD21 0.58 0.014 1.00 0.06
LEU81 HA 1.00 0.001 1.00 0.16
LEU81 HB2 1.00 0.006 1.00 0.23
LEU81 HB3 1.00 0.043 0.00 0.00
LEU81 HG 1.00 0.011 1.00 0.15
LEU81 H 1.00 0.004 1.00 -4053824.00
LEU81 HD21 0.87 0.024 1.00 0.29
LEU82 H 1.00 0.087 0.00 0.00