ARECA's report on PHE51

Residue probability: 0.853
Residue probability confidence: 0.833

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C NA -- -- 0.000 0.000
CA 57.935 58.245 3.808 0.500 0.889
CB 38.975 40.078 3.616 1.000 0.857
CD1 131.731 131.234 9.579 0.833 0.750
CD2 131.836 131.352 9.581 0.836 0.750
CE1 NA -- -- 0.000 0.000
CE2 NA -- -- 0.000 0.000
CZ NA -- -- 0.000 0.000
N 120.700 120.315 4.931 1.000 0.909
HA 4.758 4.625 1.237 0.750 0.889
HB2 3.027 2.980 0.399 1.000 0.857
HB3 2.967 2.916 0.434 1.000 0.857
HD1 7.124 7.037 0.347 0.833 0.750
HD2 7.124 7.022 0.417 0.833 0.750
HE NA -- -- 0.000 0.000
HZ NA -- -- 0.000 0.000
H 8.341 8.375 0.710 0.801 0.909

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Detailed Probabilities of PHE(51)-CA:

Overall probability: 0.500
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASN50 0.00 1.00
PHE51 0.67 1.00
GLU52 0.00 0.50

Expected NOESY Contacts
Proton Expected probability
N50HA 1.00
F51HB2 1.00
F51HB3 1.00
F51HD1 1.00
F51HD2 1.00
F51H 1.00
F51HA 1.00
E52H 1.00
E52HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASN50 HA 1.00 0.133 0.00 0.00
PHE51 HA 1.00 0.001 1.00 0.11
PHE51 HB2 1.00 0.000 1.00 0.04
PHE51 HB3 1.00 0.001 1.00 0.00
PHE51 HD1 1.00 1.217 0.00 0.00
PHE51 HD2 1.00 1.217 0.00 0.00
PHE51 H 1.00 0.000 1.00 -0.00
GLU52 HA 1.00 0.499 0.00 0.00

Detailed Probabilities of PHE(51)-CB:

Overall probability: 1.000
Overall confidence: 0.857

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE51 1.00 1.00
GLU52 0.00 0.00

Expected NOESY Contacts
Proton Expected probability
F51HA 1.00
F51HB3 1.00
F51HD1 1.00
F51HD2 1.00
F51H 1.00
F51HB2 1.00
E52H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE51 HA 1.00 0.001 1.00 0.05
PHE51 HB2 1.00 0.000 1.00 0.67
PHE51 HB3 1.00 0.001 1.00 0.44
PHE51 HD1 1.00 0.000 1.00 0.07
PHE51 HD2 1.00 0.000 1.00 0.07
PHE51 H 1.00 0.000 1.00 0.02

Detailed Probabilities of PHE(51)-CD1:

Overall probability: 0.833
Overall confidence: 0.750

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE51 0.83 0.75

Expected NOESY Contacts
Proton Expected probability
F51HA 1.00
F51HB2 1.00
F51HB3 1.00
F51HD2 1.00
F51HE1 1.00
F51HZ 1.00
F51H 1.00
F51HD1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE51 HA 1.00 0.001 1.00 0.00
PHE51 HB2 1.00 0.000 1.00 0.01
PHE51 HB3 1.00 0.001 1.00 0.01
PHE51 HD1 1.00 0.000 1.00 0.95
PHE51 HD2 1.00 0.000 1.00 0.95
PHE51 H 1.00 0.722 0.00 0.00

Detailed Probabilities of PHE(51)-CD2:

Overall probability: 0.836
Overall confidence: 0.750

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE51 0.84 0.75

Expected NOESY Contacts
Proton Expected probability
F51HA 1.00
F51HB2 1.00
F51HB3 1.00
F51HD1 1.00
F51HE1 1.00
F51HZ 1.00
F51H 0.99
F51HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE51 HA 1.00 0.001 1.00 0.00
PHE51 HB2 1.00 0.000 1.00 0.01
PHE51 HB3 1.00 0.001 1.00 0.01
PHE51 HD1 1.00 0.000 1.00 0.95
PHE51 HD2 1.00 0.000 1.00 0.95
PHE51 H 0.99 0.722 0.01 0.00

Detailed Probabilities of PHE(51)-N:

Overall probability: 1.000
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASN50 1.00 1.00
PHE51 1.00 1.00
GLU52 0.00 0.00

Expected NOESY Contacts
Proton Expected probability
N50HB3 1.00
N50HB2 1.00
N50H 1.00
N50HA 1.00
F51HA 1.00
F51HB2 1.00
F51HB3 1.00
F51HD1 1.00
F51HD2 0.99
F51H 1.00
E52H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASN50 HA 1.00 0.000 1.00 -5967.00
ASN50 HB2 1.00 0.000 1.00 -3067.00
ASN50 HB3 1.00 0.000 1.00 -3067.00
ASN50 H 1.00 0.000 1.00 -135.00
PHE51 HA 1.00 0.001 1.00 -1917.00
PHE51 HB2 1.00 0.000 1.00 -6998.00
PHE51 HB3 1.00 0.001 1.00 -3260.00
PHE51 HD1 1.00 0.005 1.00 -745.00
PHE51 HD2 0.99 0.005 1.00 -745.00
PHE51 H 1.00 0.000 1.00 -27100.00

Detailed Probabilities of PHE(51)-HA:

Overall probability: 0.750
Overall confidence: 0.889

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASN50 0.00 1.00
PHE51 1.00 1.00
GLU52 0.00 0.50

Expected NOESY Contacts
Proton Expected probability
N50HA 1.00
F51HB2 1.00
F51HB3 1.00
F51HD1 1.00
F51HD2 1.00
F51H 1.00
F51HA 1.00
E52H 1.00
E52HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASN50 HA 1.00 0.134 0.00 0.00
PHE51 HA 1.00 0.001 1.00 0.11
PHE51 HB2 1.00 0.001 1.00 0.05
PHE51 HB3 1.00 0.001 1.00 0.02
PHE51 HD1 1.00 0.001 1.00 0.00
PHE51 HD2 1.00 0.001 1.00 0.00
PHE51 H 1.00 0.001 1.00 -1917.00
GLU52 HA 1.00 0.476 0.00 0.00

Detailed Probabilities of PHE(51)-HB2:

Overall probability: 1.000
Overall confidence: 0.857

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE51 1.00 1.00
GLU52 NaN 0.00

Expected NOESY Contacts
Proton Expected probability
F51HA 1.00
F51HB3 1.00
F51HD1 1.00
F51HD2 1.00
F51H 1.00
F51HB2 1.00
E52H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE51 HA 1.00 0.000 1.00 0.04
PHE51 HB2 1.00 0.000 1.00 0.67
PHE51 HB3 1.00 0.000 1.00 0.23
PHE51 HD1 1.00 0.000 1.00 0.01
PHE51 HD2 1.00 0.000 1.00 0.01
PHE51 H 1.00 0.000 1.00 -6998.00

Detailed Probabilities of PHE(51)-HB3:

Overall probability: 1.000
Overall confidence: 0.857

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE51 1.00 1.00
GLU52 0.00 0.00

Expected NOESY Contacts
Proton Expected probability
F51HA 1.00
F51HB2 1.00
F51HD1 1.00
F51HD2 1.00
F51H 1.00
F51HB3 1.00
E52H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE51 HA 1.00 0.001 1.00 0.00
PHE51 HB2 1.00 0.001 1.00 0.44
PHE51 HB3 1.00 0.001 1.00 -0.00
PHE51 HD1 1.00 0.001 1.00 0.01
PHE51 HD2 1.00 0.001 1.00 0.01
PHE51 H 1.00 0.001 1.00 -3260.00

Detailed Probabilities of PHE(51)-HD1:

Overall probability: 0.833
Overall confidence: 0.750

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE51 0.83 0.75

Expected NOESY Contacts
Proton Expected probability
F51HA 1.00
F51HB2 1.00
F51HB3 1.00
F51HD2 1.00
F51HE1 1.00
F51HZ 1.00
F51H 1.00
F51HD1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE51 HA 1.00 1.217 0.00 0.00
PHE51 HB2 1.00 0.000 1.00 0.07
PHE51 HB3 1.00 0.000 1.00 0.06
PHE51 HD1 1.00 0.000 1.00 0.95
PHE51 HD2 1.00 0.000 1.00 0.95
PHE51 H 1.00 0.005 1.00 -745.00

Detailed Probabilities of PHE(51)-HD2:

Overall probability: 0.833
Overall confidence: 0.750

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE51 0.83 0.75

Expected NOESY Contacts
Proton Expected probability
F51HA 1.00
F51HB2 1.00
F51HB3 1.00
F51HD1 1.00
F51HE1 1.00
F51HZ 1.00
F51H 0.99
F51HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE51 HA 1.00 1.217 0.00 0.00
PHE51 HB2 1.00 0.000 1.00 0.07
PHE51 HB3 1.00 0.000 1.00 0.06
PHE51 HD1 1.00 0.000 1.00 0.95
PHE51 HD2 1.00 0.000 1.00 0.95
PHE51 H 0.99 0.005 1.00 -745.00

Detailed Probabilities of PHE(51)-H:

Overall probability: 0.801
Overall confidence: 0.909

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASN50 1.00 1.00
PHE51 0.67 1.00
GLU52 0.00 0.00

Expected NOESY Contacts
Proton Expected probability
N50HB3 1.00
N50HB2 1.00
N50H 1.00
N50HA 1.00
F51HA 1.00
F51HB2 1.00
F51HB3 1.00
F51HD1 1.00
F51HD2 0.99
F51H 1.00
E52H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASN50 HA 1.00 0.000 1.00 0.13
ASN50 HB2 1.00 0.000 1.00 0.02
ASN50 HB3 1.00 0.000 1.00 0.02
ASN50 H 1.00 0.000 1.00 -357.00
PHE51 HA 1.00 0.000 1.00 -0.00
PHE51 HB2 1.00 0.000 1.00 0.02
PHE51 HB3 1.00 0.000 1.00 0.00
PHE51 HD1 1.00 0.722 0.00 0.00
PHE51 HD2 0.99 0.722 0.01 0.00
PHE51 H 1.00 0.000 1.00 -27100.00