ARECA's report on PHE56

Residue probability: 0.884
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 176.433 175.508 2.010 0.000 0.000
CA 61.477 58.245 3.808 0.801 1.000
CB 38.913 40.078 3.616 0.967 1.000
CD1 131.663 131.234 9.579 1.000 1.000
CD2 131.801 131.352 9.581 1.000 1.000
CE1 130.908 130.599 3.219 0.714 1.000
CE2 131.004 130.633 2.839 0.572 1.000
CZ 129.580 129.042 3.448 1.000 1.000
N 113.667 120.315 4.931 1.000 1.000
HA 4.107 4.625 1.237 0.800 1.000
HB2 3.197 2.980 0.399 0.778 1.000
HB3 2.793 2.916 0.434 1.000 1.000
HD1 7.197 7.037 0.347 1.000 1.000
HD2 7.197 7.022 0.417 1.000 1.000
HE1 7.002 7.046 0.417 0.750 1.000
HE2 7.002 7.043 0.400 0.714 1.000
HZ 7.198 6.984 1.598 1.000 1.000
H 7.872 8.375 0.710 0.929 1.000

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Detailed Probabilities of PHE(56)-CA:

Overall probability: 0.801
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU55 0.45 1.00
PHE56 1.00 1.00
ARG57 0.45 1.00

Expected NOESY Contacts
Proton Expected probability
L55HA 1.00
F56HB2 1.00
F56HB3 1.00
F56HD1 1.00
F56HD2 1.00
F56H 1.00
F56HA 1.00
R57H 1.00
R57HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU55 HA 1.00 0.082 0.00 0.00
LEU55 HB3 0.91 0.031 0.91 0.00
PHE56 HA 1.00 0.001 1.00 7.21
PHE56 HB2 1.00 0.001 1.00 0.71
PHE56 HB3 1.00 0.002 1.00 0.45
PHE56 HD1 1.00 0.004 1.00 1.01
PHE56 HD2 1.00 0.004 1.00 1.01
PHE56 H 1.00 0.000 1.00 0.58
PHE56 HE1 0.74 0.011 1.00 0.15
ARG57 HA 1.00 0.103 0.00 0.00
ARG57 H 1.00 0.031 0.90 0.00

Detailed Probabilities of PHE(56)-CB:

Overall probability: 0.967
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE56 1.00 1.00
ARG57 0.70 1.00

Expected NOESY Contacts
Proton Expected probability
F56HA 1.00
F56HB2 1.00
F56HD1 1.00
F56HD2 1.00
F56HE2 1.00
F56H 1.00
F56HB3 1.00
R57H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE56 HA 1.00 0.003 1.00 0.36
PHE56 HB2 1.00 0.001 1.00 1.55
PHE56 HB3 1.00 0.002 1.00 1.49
PHE56 HD1 1.00 0.002 1.00 0.57
PHE56 HD2 1.00 0.002 1.00 0.57
PHE56 HE2 1.00 0.013 1.00 0.08
PHE56 H 1.00 0.002 1.00 0.55
PHE56 HE1 0.89 0.013 1.00 0.08
ARG57 H 1.00 0.033 0.70 0.00

Detailed Probabilities of PHE(56)-CD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE56 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F56HA 1.00
F56HB2 1.00
F56HB3 1.00
F56HD2 1.00
F56HE1 1.00
F56HE2 1.00
F56HZ 1.00
F56H 1.00
F56HD1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE56 HA 1.00 0.001 1.00 0.26
PHE56 HB2 1.00 0.001 1.00 0.23
PHE56 HB3 1.00 0.001 1.00 0.97
PHE56 HD1 1.00 0.007 1.00 41.74
PHE56 HD2 1.00 0.007 1.00 41.74
PHE56 HE1 1.00 0.004 1.00 0.88
PHE56 HE2 1.00 0.004 1.00 0.88
PHE56 HZ 1.00 0.008 1.00 41.74
PHE56 H 1.00 0.003 1.00 0.14

Detailed Probabilities of PHE(56)-CD2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE56 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F56HA 1.00
F56HB2 1.00
F56HB3 1.00
F56HD1 1.00
F56HE1 1.00
F56HE2 1.00
F56HZ 1.00
F56H 0.99
F56HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE56 HA 1.00 0.001 1.00 0.26
PHE56 HB2 1.00 0.001 1.00 0.23
PHE56 HB3 1.00 0.001 1.00 0.97
PHE56 HD1 1.00 0.007 1.00 41.74
PHE56 HD2 1.00 0.007 1.00 41.74
PHE56 HE1 1.00 0.004 1.00 0.88
PHE56 HE2 1.00 0.004 1.00 0.88
PHE56 HZ 1.00 0.008 1.00 41.74
PHE56 H 0.99 0.003 1.00 0.14

Detailed Probabilities of PHE(56)-CE1:

Overall probability: 0.714
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE56 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
F56HD1 1.00
F56HD2 1.00
F56HE2 1.00
F56HZ 1.00
F56HE1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE56 HD1 1.00 0.001 1.00 0.84
PHE56 HD2 1.00 0.001 1.00 0.84
PHE56 HE1 1.00 0.108 0.00 0.00
PHE56 HE2 1.00 0.108 0.00 0.00
PHE56 HZ 1.00 0.002 1.00 0.84
PHE56 HA 0.74 0.002 1.00 0.14
PHE56 HB3 0.89 0.004 1.00 0.15

Detailed Probabilities of PHE(56)-CE2:

Overall probability: 0.572
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE56 0.57 1.00

Expected NOESY Contacts
Proton Expected probability
F56HB2 1.00
F56HB3 1.00
F56HD1 1.00
F56HD2 1.00
F56HE1 1.00
F56HZ 1.00
F56HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE56 HB2 1.00 0.323 0.00 0.00
PHE56 HB3 1.00 0.004 1.00 0.15
PHE56 HD1 1.00 0.001 1.00 0.84
PHE56 HD2 1.00 0.001 1.00 0.84
PHE56 HE1 1.00 0.108 0.00 0.00
PHE56 HE2 1.00 0.108 0.00 0.00
PHE56 HZ 1.00 0.002 1.00 0.84

Detailed Probabilities of PHE(56)-CZ:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE56 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F56HD1 1.00
F56HD2 1.00
F56HE1 1.00
F56HE2 1.00
F56HZ 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE56 HD1 1.00 0.007 1.00 27.60
PHE56 HD2 1.00 0.007 1.00 27.60
PHE56 HE1 1.00 0.000 1.00 0.15
PHE56 HE2 1.00 0.000 1.00 0.15
PHE56 HZ 1.00 0.008 1.00 27.60

Detailed Probabilities of PHE(56)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU55 1.00 1.00
PHE56 1.00 1.00
ARG57 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L55HA 1.00
L55HG 0.98
L55HB2 1.00
L55HB3 1.00
L55H 1.00
F56HA 1.00
F56HB2 1.00
F56HB3 1.00
F56HD1 1.00
F56HD2 0.99
F56H 1.00
R57H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU55 HA 1.00 0.011 1.00 -586650.00
LEU55 HB2 1.00 0.003 1.00 -820025.00
LEU55 HB3 1.00 0.001 1.00 -551773.00
LEU55 HG 0.98 0.001 1.00 -374811.00
LEU55 H 1.00 0.007 1.00 -1647418.00
LEU55 HD11 0.55 0.004 1.00 -237543.00
LEU55 HD21 0.61 0.010 1.00 -320805.00
PHE56 HA 1.00 0.003 1.00 -1216523.00
PHE56 HB2 1.00 0.002 1.00 -1360738.00
PHE56 HB3 1.00 0.001 1.00 -2136577.00
PHE56 HD1 1.00 0.019 1.00 -2021385.00
PHE56 HD2 0.99 0.019 1.00 -2021385.00
PHE56 H 1.00 0.001 1.00 -12832204.00
ARG57 H 1.00 0.016 1.00 -2021385.00
ARG57 HA 0.90 0.020 1.00 -165719.00

Detailed Probabilities of PHE(56)-HA:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU55 0.00 1.00
PHE56 1.00 1.00
ARG57 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
L55HA 1.00
F56HB2 1.00
F56HB3 1.00
F56HD1 1.00
F56HD2 1.00
F56H 1.00
F56HA 1.00
R57H 1.00
R57HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU55 HA 1.00 0.094 0.00 0.00
PHE56 HA 1.00 0.001 1.00 7.21
PHE56 HB2 1.00 0.004 1.00 0.61
PHE56 HB3 1.00 0.003 1.00 0.36
PHE56 HD1 1.00 0.001 1.00 0.26
PHE56 HD2 1.00 0.001 1.00 0.26
PHE56 H 1.00 0.003 1.00 -1216523.00
PHE56 HE1 0.74 0.002 1.00 0.14
ARG57 HA 1.00 0.094 0.00 0.00
ARG57 H 1.00 0.002 1.00 -650043.00

Detailed Probabilities of PHE(56)-HB2:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE56 0.71 1.00
ARG57 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F56HA 1.00
F56HB3 1.00
F56HD1 1.00
F56HD2 1.00
F56HE2 1.00
F56H 1.00
F56HB2 1.00
R57H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE56 HA 1.00 0.001 1.00 0.71
PHE56 HB2 1.00 0.407 0.00 0.00
PHE56 HB3 1.00 0.001 1.00 1.55
PHE56 HD1 1.00 0.001 1.00 0.23
PHE56 HD2 1.00 0.001 1.00 0.23
PHE56 HE2 1.00 0.323 0.00 0.00
PHE56 H 1.00 0.002 1.00 -1360738.00
ARG57 H 1.00 0.003 1.00 -761685.00
ARG57 HA 0.64 0.010 1.00 0.43

Detailed Probabilities of PHE(56)-HB3:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE56 1.00 1.00
ARG57 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F56HA 1.00
F56HB2 1.00
F56HD1 1.00
F56HD2 1.00
F56HE2 1.00
F56H 1.00
F56HB3 1.00
R57H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE56 HA 1.00 0.002 1.00 0.45
PHE56 HB2 1.00 0.003 1.00 1.67
PHE56 HB3 1.00 0.002 1.00 1.49
PHE56 HD1 1.00 0.001 1.00 0.97
PHE56 HD2 1.00 0.001 1.00 0.97
PHE56 HE2 1.00 0.004 1.00 0.15
PHE56 H 1.00 0.001 1.00 -2136577.00
PHE56 HE1 0.89 0.004 1.00 0.15
ARG57 H 1.00 0.002 1.00 -356000.00

Detailed Probabilities of PHE(56)-HD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE56 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F56HA 1.00
F56HB2 1.00
F56HB3 1.00
F56HD2 1.00
F56HE1 1.00
F56HE2 1.00
F56HZ 1.00
F56H 1.00
F56HD1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE56 HA 1.00 0.004 1.00 1.01
PHE56 HB2 1.00 0.001 1.00 0.63
PHE56 HB3 1.00 0.002 1.00 0.57
PHE56 HD1 1.00 0.007 1.00 41.74
PHE56 HD2 1.00 0.007 1.00 41.74
PHE56 HE1 1.00 0.001 1.00 0.84
PHE56 HE2 1.00 0.001 1.00 0.84
PHE56 HZ 1.00 0.007 1.00 27.60
PHE56 H 1.00 0.019 1.00 -2021385.00

Detailed Probabilities of PHE(56)-HD2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE56 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F56HA 1.00
F56HB2 1.00
F56HB3 1.00
F56HD1 1.00
F56HE1 1.00
F56HE2 1.00
F56HZ 1.00
F56H 0.99
F56HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE56 HA 1.00 0.004 1.00 1.01
PHE56 HB2 1.00 0.001 1.00 0.63
PHE56 HB3 1.00 0.002 1.00 0.57
PHE56 HD1 1.00 0.007 1.00 41.74
PHE56 HD2 1.00 0.007 1.00 41.74
PHE56 HE1 1.00 0.001 1.00 0.84
PHE56 HE2 1.00 0.001 1.00 0.84
PHE56 HZ 1.00 0.007 1.00 27.60
PHE56 H 0.99 0.019 1.00 -2021385.00

Detailed Probabilities of PHE(56)-HE1:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE56 0.75 1.00

Expected NOESY Contacts
Proton Expected probability
F56HD1 1.00
F56HD2 1.00
F56HE2 1.00
F56HZ 1.00
F56HE1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE56 HD1 1.00 0.004 1.00 0.88
PHE56 HD2 1.00 0.004 1.00 0.88
PHE56 HE1 1.00 0.108 0.00 0.00
PHE56 HE2 1.00 0.108 0.00 0.00
PHE56 HZ 1.00 0.000 1.00 0.15
PHE56 HA 0.74 0.011 1.00 0.15
PHE56 HB2 0.90 0.005 1.00 0.09
PHE56 HB3 0.89 0.013 1.00 0.08

Detailed Probabilities of PHE(56)-HE2:

Overall probability: 0.714
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE56 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
F56HB2 1.00
F56HB3 1.00
F56HD1 1.00
F56HD2 1.00
F56HE1 1.00
F56HZ 1.00
F56HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE56 HB2 1.00 0.005 1.00 0.09
PHE56 HB3 1.00 0.013 1.00 0.08
PHE56 HD1 1.00 0.004 1.00 0.88
PHE56 HD2 1.00 0.004 1.00 0.88
PHE56 HE1 1.00 0.108 0.00 0.00
PHE56 HE2 1.00 0.108 0.00 0.00
PHE56 HZ 1.00 0.000 1.00 0.15

Detailed Probabilities of PHE(56)-HZ:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE56 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F56HD1 1.00
F56HD2 1.00
F56HE1 1.00
F56HE2 1.00
F56HZ 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE56 HD1 1.00 0.008 1.00 41.74
PHE56 HD2 1.00 0.008 1.00 41.74
PHE56 HE1 1.00 0.002 1.00 0.84
PHE56 HE2 1.00 0.002 1.00 0.84
PHE56 HZ 1.00 0.008 1.00 27.60

Detailed Probabilities of PHE(56)-H:

Overall probability: 0.929
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU55 0.83 1.00
PHE56 1.00 1.00
ARG57 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L55HA 1.00
L55HG 0.98
L55HB2 1.00
L55HB3 1.00
L55H 1.00
F56HA 1.00
F56HB2 1.00
F56HB3 1.00
F56HD1 1.00
F56HD2 0.99
F56H 1.00
R57H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU55 HA 1.00 0.403 0.00 0.00
LEU55 HB2 1.00 0.008 1.00 0.13
LEU55 HB3 1.00 0.002 1.00 0.09
LEU55 HG 0.98 0.020 1.00 0.12
LEU55 H 1.00 0.000 1.00 -1281504.00
LEU55 HD11 0.55 0.001 1.00 0.07
PHE56 HA 1.00 0.000 1.00 0.58
PHE56 HB2 1.00 0.001 1.00 0.54
PHE56 HB3 1.00 0.002 1.00 0.55
PHE56 HD1 1.00 0.003 1.00 0.14
PHE56 HD2 0.99 0.003 1.00 0.14
PHE56 H 1.00 0.001 1.00 -12832204.00
ARG57 H 1.00 0.003 1.00 -1324723.00
ARG57 HA 0.90 0.018 1.00 0.07