ARECA's report on PHE40

Residue probability: 0.889
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C NA -- -- 0.000 0.000
CA 53.605 58.245 3.808 0.600 1.000
CB 38.650 40.078 3.616 0.803 1.000
CD1 131.700 131.234 9.579 1.000 1.000
CD2 131.792 131.352 9.581 1.000 1.000
CE1 130.137 130.599 3.219 1.000 1.000
CE2 130.304 130.633 2.839 0.715 1.000
CZ 128.949 129.042 3.448 1.000 1.000
N 120.948 120.315 4.931 1.000 1.000
HA 4.913 4.625 1.237 0.800 1.000
HB2 3.518 2.980 0.399 0.672 1.000
HB3 2.670 2.916 0.434 0.670 1.000
HD1 6.671 7.037 0.347 1.000 1.000
HD2 6.671 7.022 0.417 1.000 1.000
HE1 6.172 7.046 0.417 1.000 1.000
HE2 6.172 7.043 0.400 0.857 1.000
HZ 6.750 6.984 1.598 1.000 1.000
H 8.836 8.375 0.710 1.000 1.000

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Detailed Probabilities of PHE(40)-CA:

Overall probability: 0.600
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP39 0.00 1.00
PHE40 1.00 1.00
PRO41 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
D39HA 1.00
F40HB2 1.00
F40HB3 1.00
F40HD1 1.00
F40HD2 1.00
F40H 1.00
F40HA 1.00
P41HD2 1.00
P41HA 1.00
P41HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP39 HA 1.00 0.129 0.00 0.00
PHE40 HA 1.00 0.000 1.00 0.00
PHE40 HB2 1.00 0.000 1.00 0.00
PHE40 HB3 1.00 0.000 1.00 0.00
PHE40 HD1 1.00 0.000 1.00 0.00
PHE40 HD2 1.00 0.000 1.00 0.00
PHE40 H 1.00 0.000 1.00 0.00
PRO41 HA 1.00 0.293 0.00 0.00
PRO41 HD2 1.00 0.149 0.00 0.00
PRO41 HD3 1.00 0.083 0.00 0.00

Detailed Probabilities of PHE(40)-CB:

Overall probability: 0.803
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE40 1.00 1.00
PRO41 0.01 1.00

Expected NOESY Contacts
Proton Expected probability
F40HA 1.00
F40HB2 1.00
F40HD1 1.00
F40HD2 1.00
F40HE2 1.00
F40H 1.00
F40HB3 1.00
P41HD2 0.98
P41HD3 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE40 HA 1.00 0.000 1.00 0.00
PHE40 HB2 1.00 0.000 1.00 0.00
PHE40 HB3 1.00 0.000 1.00 0.00
PHE40 HD1 1.00 0.000 1.00 0.00
PHE40 HD2 1.00 0.000 1.00 0.00
PHE40 HE2 1.00 0.000 1.00 0.00
PHE40 H 1.00 0.000 1.00 0.00
PHE40 HE1 0.89 0.000 1.00 0.00
PRO41 HD2 0.98 0.149 0.02 0.00
PRO41 HD3 0.99 0.083 0.01 0.00

Detailed Probabilities of PHE(40)-CD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE40 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F40HA 1.00
F40HB2 1.00
F40HB3 1.00
F40HD2 1.00
F40HE1 1.00
F40HE2 1.00
F40HZ 1.00
F40H 1.00
F40HD1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE40 HA 1.00 0.000 1.00 0.00
PHE40 HB2 1.00 0.000 1.00 0.00
PHE40 HB3 1.00 0.000 1.00 0.00
PHE40 HD1 1.00 0.000 1.00 0.00
PHE40 HD2 1.00 0.000 1.00 0.00
PHE40 HE1 1.00 0.000 1.00 0.00
PHE40 HE2 1.00 0.000 1.00 0.00
PHE40 HZ 1.00 0.000 1.00 0.00
PHE40 H 1.00 0.000 1.00 0.00

Detailed Probabilities of PHE(40)-CD2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE40 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F40HA 1.00
F40HB2 1.00
F40HB3 1.00
F40HD1 1.00
F40HE1 1.00
F40HE2 1.00
F40HZ 1.00
F40H 0.99
F40HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE40 HA 1.00 0.000 1.00 0.00
PHE40 HB2 1.00 0.000 1.00 0.00
PHE40 HB3 1.00 0.000 1.00 0.00
PHE40 HD1 1.00 0.000 1.00 0.00
PHE40 HD2 1.00 0.000 1.00 0.00
PHE40 HE1 1.00 0.000 1.00 0.00
PHE40 HE2 1.00 0.000 1.00 0.00
PHE40 HZ 1.00 0.000 1.00 0.00
PHE40 H 0.99 0.000 1.00 0.00

Detailed Probabilities of PHE(40)-CE1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE40 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F40HD1 1.00
F40HD2 1.00
F40HE2 1.00
F40HZ 1.00
F40HE1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE40 HD1 1.00 0.000 1.00 0.00
PHE40 HD2 1.00 0.000 1.00 0.00
PHE40 HE1 1.00 0.000 1.00 0.00
PHE40 HE2 1.00 0.000 1.00 0.00
PHE40 HZ 1.00 0.000 1.00 0.00

Detailed Probabilities of PHE(40)-CE2:

Overall probability: 0.715
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE40 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
F40HB2 1.00
F40HB3 1.00
F40HD1 1.00
F40HD2 1.00
F40HE1 1.00
F40HZ 1.00
F40HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE40 HB2 1.00 0.280 0.00 0.00
PHE40 HB3 1.00 0.568 0.00 0.00
PHE40 HD1 1.00 0.000 1.00 0.00
PHE40 HD2 1.00 0.000 1.00 0.00
PHE40 HE1 1.00 0.000 1.00 0.00
PHE40 HE2 1.00 0.000 1.00 0.00
PHE40 HZ 1.00 0.000 1.00 0.00

Detailed Probabilities of PHE(40)-CZ:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE40 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F40HD1 1.00
F40HD2 1.00
F40HE1 1.00
F40HE2 1.00
F40HZ 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE40 HD1 1.00 0.000 1.00 0.00
PHE40 HD2 1.00 0.000 1.00 0.00
PHE40 HE1 1.00 0.000 1.00 0.00
PHE40 HE2 1.00 0.000 1.00 0.00
PHE40 HZ 1.00 0.000 1.00 0.00

Detailed Probabilities of PHE(40)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP39 1.00 1.00
PHE40 1.00 1.00
PRO41 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D39HB2 1.00
D39HB3 1.00
D39H 1.00
D39HA 1.00
F40HA 1.00
F40HB2 1.00
F40HB3 1.00
F40HD1 1.00
F40HD2 0.99
F40H 1.00
P41HD3 0.97
P41HD2 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP39 HA 1.00 0.000 1.00 0.00
ASP39 HB2 1.00 0.000 1.00 0.00
ASP39 HB3 1.00 0.000 1.00 0.00
ASP39 H 1.00 0.000 1.00 0.00
PHE40 HA 1.00 0.000 1.00 0.00
PHE40 HB2 1.00 0.000 1.00 0.00
PHE40 HB3 1.00 0.000 1.00 0.00
PHE40 HD1 1.00 0.000 1.00 0.00
PHE40 HD2 0.99 0.000 1.00 0.00
PHE40 H 1.00 0.000 1.00 0.00
PRO41 HD2 0.98 0.023 1.00 0.00
PRO41 HD3 0.97 0.005 1.00 0.00

Detailed Probabilities of PHE(40)-HA:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP39 0.00 1.00
PHE40 1.00 1.00
PRO41 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
D39HA 1.00
F40HB2 1.00
F40HB3 1.00
F40HD1 1.00
F40HD2 1.00
F40H 1.00
F40HA 1.00
P41HD2 1.00
P41HA 1.00
P41HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP39 HA 1.00 0.129 0.00 0.00
PHE40 HA 1.00 0.000 1.00 0.00
PHE40 HB2 1.00 0.000 1.00 0.00
PHE40 HB3 1.00 0.000 1.00 0.00
PHE40 HD1 1.00 0.000 1.00 0.00
PHE40 HD2 1.00 0.000 1.00 0.00
PHE40 H 1.00 0.000 1.00 0.00
PRO41 HA 1.00 0.059 0.00 0.00
PRO41 HD2 1.00 0.016 1.00 0.00
PRO41 HD3 1.00 0.012 1.00 0.00

Detailed Probabilities of PHE(40)-HB2:

Overall probability: 0.672
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE40 0.86 1.00
PRO41 0.03 1.00

Expected NOESY Contacts
Proton Expected probability
F40HA 1.00
F40HB3 1.00
F40HD1 1.00
F40HD2 1.00
F40HE2 1.00
F40H 1.00
F40HB2 1.00
P41HD3 0.98
P41HD2 0.97


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE40 HA 1.00 0.000 1.00 0.00
PHE40 HB2 1.00 0.000 1.00 0.00
PHE40 HB3 1.00 0.000 1.00 0.00
PHE40 HD1 1.00 0.000 1.00 0.00
PHE40 HD2 1.00 0.000 1.00 0.00
PHE40 HE2 1.00 0.280 0.00 0.00
PHE40 H 1.00 0.000 1.00 0.00
PRO41 HD2 0.97 0.069 0.03 0.00
PRO41 HD3 0.98 0.069 0.02 0.00

Detailed Probabilities of PHE(40)-HB3:

Overall probability: 0.670
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE40 0.86 1.00
PRO41 0.01 1.00

Expected NOESY Contacts
Proton Expected probability
F40HA 1.00
F40HB2 1.00
F40HD1 1.00
F40HD2 1.00
F40HE2 1.00
F40H 1.00
F40HB3 1.00
P41HD2 0.98
P41HD3 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE40 HA 1.00 0.000 1.00 0.00
PHE40 HB2 1.00 0.000 1.00 0.00
PHE40 HB3 1.00 0.000 1.00 0.00
PHE40 HD1 1.00 0.000 1.00 0.00
PHE40 HD2 1.00 0.000 1.00 0.00
PHE40 HE2 1.00 0.568 0.00 0.00
PHE40 H 1.00 0.000 1.00 0.00
PRO41 HD2 0.98 0.098 0.02 0.00
PRO41 HD3 0.99 0.098 0.01 0.00

Detailed Probabilities of PHE(40)-HD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE40 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F40HA 1.00
F40HB2 1.00
F40HB3 1.00
F40HD2 1.00
F40HE1 1.00
F40HE2 1.00
F40HZ 1.00
F40H 1.00
F40HD1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE40 HA 1.00 0.000 1.00 0.00
PHE40 HB2 1.00 0.000 1.00 0.00
PHE40 HB3 1.00 0.000 1.00 0.00
PHE40 HD1 1.00 0.000 1.00 0.00
PHE40 HD2 1.00 0.000 1.00 0.00
PHE40 HE1 1.00 0.000 1.00 0.00
PHE40 HE2 1.00 0.000 1.00 0.00
PHE40 HZ 1.00 0.000 1.00 0.00
PHE40 H 1.00 0.000 1.00 0.00

Detailed Probabilities of PHE(40)-HD2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE40 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F40HA 1.00
F40HB2 1.00
F40HB3 1.00
F40HD1 1.00
F40HE1 1.00
F40HE2 1.00
F40HZ 1.00
F40H 0.99
F40HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE40 HA 1.00 0.000 1.00 0.00
PHE40 HB2 1.00 0.000 1.00 0.00
PHE40 HB3 1.00 0.000 1.00 0.00
PHE40 HD1 1.00 0.000 1.00 0.00
PHE40 HD2 1.00 0.000 1.00 0.00
PHE40 HE1 1.00 0.000 1.00 0.00
PHE40 HE2 1.00 0.000 1.00 0.00
PHE40 HZ 1.00 0.000 1.00 0.00
PHE40 H 0.99 0.000 1.00 0.00

Detailed Probabilities of PHE(40)-HE1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE40 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F40HD1 1.00
F40HD2 1.00
F40HE2 1.00
F40HZ 1.00
F40HE1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE40 HD1 1.00 0.000 1.00 0.00
PHE40 HD2 1.00 0.000 1.00 0.00
PHE40 HE1 1.00 0.000 1.00 0.00
PHE40 HE2 1.00 0.000 1.00 0.00
PHE40 HZ 1.00 0.000 1.00 0.00
PHE40 HB3 0.89 0.000 1.00 0.00

Detailed Probabilities of PHE(40)-HE2:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE40 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
F40HB2 1.00
F40HB3 1.00
F40HD1 1.00
F40HD2 1.00
F40HE1 1.00
F40HZ 1.00
F40HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE40 HB2 1.00 0.499 0.00 0.00
PHE40 HB3 1.00 0.000 1.00 0.00
PHE40 HD1 1.00 0.000 1.00 0.00
PHE40 HD2 1.00 0.000 1.00 0.00
PHE40 HE1 1.00 0.000 1.00 0.00
PHE40 HE2 1.00 0.000 1.00 0.00
PHE40 HZ 1.00 0.000 1.00 0.00

Detailed Probabilities of PHE(40)-HZ:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE40 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F40HD1 1.00
F40HD2 1.00
F40HE1 1.00
F40HE2 1.00
F40HZ 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE40 HD1 1.00 0.000 1.00 0.00
PHE40 HD2 1.00 0.000 1.00 0.00
PHE40 HE1 1.00 0.000 1.00 0.00
PHE40 HE2 1.00 0.000 1.00 0.00
PHE40 HZ 1.00 0.000 1.00 0.00

Detailed Probabilities of PHE(40)-H:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP39 1.00 1.00
PHE40 1.00 1.00
PRO41 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D39HB2 1.00
D39HB3 1.00
D39H 1.00
D39HA 1.00
F40HA 1.00
F40HB2 1.00
F40HB3 1.00
F40HD1 1.00
F40HD2 0.99
F40H 1.00
P41HD3 0.97
P41HD2 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP39 HA 1.00 0.000 1.00 0.00
ASP39 HB2 1.00 0.000 1.00 0.00
ASP39 HB3 1.00 0.000 1.00 0.00
ASP39 H 1.00 0.000 1.00 0.00
PHE40 HA 1.00 0.000 1.00 0.00
PHE40 HB2 1.00 0.000 1.00 0.00
PHE40 HB3 1.00 0.000 1.00 0.00
PHE40 HD1 1.00 0.000 1.00 0.00
PHE40 HD2 0.99 0.000 1.00 0.00
PHE40 H 1.00 0.000 1.00 0.00
PRO41 HD2 0.98 0.002 1.00 0.00
PRO41 HD3 0.97 0.002 1.00 0.00