ARECA's report on PHE96

Residue probability: 0.935
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 180.567 175.508 2.010 0.000 0.000
CA 61.997 58.245 3.808 0.850 1.000
CB 39.421 40.078 3.616 1.000 1.000
CD1 131.323 131.234 9.579 0.889 1.000
CD2 131.330 131.352 9.581 0.891 1.000
CE1 131.473 130.599 3.219 1.000 1.000
CE2 131.553 130.633 2.839 0.857 1.000
CZ 131.124 129.042 3.448 1.000 1.000
N 120.516 120.315 4.931 1.000 1.000
HA 4.060 4.625 1.237 0.850 1.000
HB2 3.252 2.980 0.399 0.875 1.000
HB3 2.945 2.916 0.434 1.000 1.000
HD1 6.616 7.037 0.347 1.000 1.000
HD2 6.616 7.022 0.417 1.000 1.000
HE1 6.805 7.046 0.417 1.000 1.000
HE2 6.805 7.043 0.400 0.857 1.000
HZ 6.968 6.984 1.598 1.000 1.000
H 8.235 8.375 0.710 0.820 1.000

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Detailed Probabilities of PHE(96)-CA:

Overall probability: 0.850
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP95 0.50 1.00
PHE96 1.00 1.00
PHE97 0.75 1.00

Expected NOESY Contacts
Proton Expected probability
D95HA 1.00
F96HB2 1.00
F96HB3 1.00
F96HD1 1.00
F96HD2 1.00
F96H 1.00
F96HA 1.00
F97HA 1.00
F97H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP95 HA 1.00 0.352 0.00 0.00
ASP95 HB3 0.83 0.016 1.00 0.00
PHE96 HA 1.00 0.000 1.00 0.00
PHE96 HB2 1.00 0.000 1.00 0.00
PHE96 HB3 1.00 0.000 1.00 0.00
PHE96 HD1 1.00 0.003 1.00 0.00
PHE96 HD2 1.00 0.003 1.00 0.00
PHE96 H 1.00 0.000 1.00 0.00
PHE97 HA 1.00 0.035 0.50 0.00
PHE97 H 1.00 0.000 1.00 0.00

Detailed Probabilities of PHE(96)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE96 1.00 1.00
PHE97 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F96HA 1.00
F96HB3 1.00
F96HD1 1.00
F96HD2 1.00
F96HE2 1.00
F96H 1.00
F96HB2 1.00
F97H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE96 HA 1.00 0.000 1.00 0.00
PHE96 HB2 1.00 0.000 1.00 0.00
PHE96 HB3 1.00 0.000 1.00 0.00
PHE96 HD1 1.00 0.003 1.00 0.00
PHE96 HD2 1.00 0.003 1.00 0.00
PHE96 HE2 1.00 0.012 1.00 0.00
PHE96 H 1.00 0.000 1.00 0.00
PHE96 HE1 0.90 0.012 1.00 0.00
PHE97 H 1.00 0.000 1.00 0.00

Detailed Probabilities of PHE(96)-CD1:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE96 0.89 1.00

Expected NOESY Contacts
Proton Expected probability
F96HA 1.00
F96HB2 1.00
F96HB3 1.00
F96HD2 1.00
F96HE1 1.00
F96HE2 1.00
F96HZ 1.00
F96H 1.00
F96HD1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE96 HA 1.00 0.000 1.00 0.00
PHE96 HB2 1.00 0.000 1.00 0.00
PHE96 HB3 1.00 0.000 1.00 0.00
PHE96 HD1 1.00 0.003 1.00 0.00
PHE96 HD2 1.00 0.003 1.00 0.00
PHE96 HE1 1.00 0.004 1.00 0.00
PHE96 HE2 1.00 0.004 1.00 0.00
PHE96 HZ 1.00 0.002 1.00 0.00
PHE96 H 1.00 1.265 0.00 0.00

Detailed Probabilities of PHE(96)-CD2:

Overall probability: 0.891
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE96 0.89 1.00

Expected NOESY Contacts
Proton Expected probability
F96HA 1.00
F96HB2 1.00
F96HB3 1.00
F96HD1 1.00
F96HE1 1.00
F96HE2 1.00
F96HZ 1.00
F96H 0.99
F96HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE96 HA 1.00 0.000 1.00 0.00
PHE96 HB2 1.00 0.000 1.00 0.00
PHE96 HB3 1.00 0.000 1.00 0.00
PHE96 HD1 1.00 0.003 1.00 0.00
PHE96 HD2 1.00 0.003 1.00 0.00
PHE96 HE1 1.00 0.004 1.00 0.00
PHE96 HE2 1.00 0.004 1.00 0.00
PHE96 HZ 1.00 0.002 1.00 0.00
PHE96 H 0.99 1.265 0.01 0.00

Detailed Probabilities of PHE(96)-CE1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE96 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F96HD1 1.00
F96HD2 1.00
F96HE2 1.00
F96HZ 1.00
F96HE1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE96 HD1 1.00 0.003 1.00 0.00
PHE96 HD2 1.00 0.003 1.00 0.00
PHE96 HE1 1.00 0.004 1.00 0.00
PHE96 HE2 1.00 0.004 1.00 0.00
PHE96 HZ 1.00 0.002 1.00 0.00
PHE96 HB3 0.89 0.011 1.00 0.00

Detailed Probabilities of PHE(96)-CE2:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE96 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
F96HB2 1.00
F96HB3 1.00
F96HD1 1.00
F96HD2 1.00
F96HE1 1.00
F96HZ 1.00
F96HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE96 HB2 1.00 0.296 0.00 0.00
PHE96 HB3 1.00 0.011 1.00 0.00
PHE96 HD1 1.00 0.003 1.00 0.00
PHE96 HD2 1.00 0.003 1.00 0.00
PHE96 HE1 1.00 0.004 1.00 0.00
PHE96 HE2 1.00 0.004 1.00 0.00
PHE96 HZ 1.00 0.002 1.00 0.00

Detailed Probabilities of PHE(96)-CZ:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE96 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F96HD1 1.00
F96HD2 1.00
F96HE1 1.00
F96HE2 1.00
F96HZ 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE96 HD1 1.00 0.003 1.00 0.00
PHE96 HD2 1.00 0.003 1.00 0.00
PHE96 HE1 1.00 0.004 1.00 0.00
PHE96 HE2 1.00 0.004 1.00 0.00
PHE96 HZ 1.00 0.002 1.00 0.00

Detailed Probabilities of PHE(96)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP95 1.00 1.00
PHE96 1.00 1.00
PHE97 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D95HB2 1.00
D95HB3 1.00
D95H 1.00
D95HA 1.00
F96HA 1.00
F96HB2 1.00
F96HB3 1.00
F96HD1 1.00
F96HD2 0.99
F96H 1.00
F97H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP95 HA 1.00 0.000 1.00 0.00
ASP95 HB2 1.00 0.000 1.00 0.00
ASP95 HB3 1.00 0.000 1.00 0.00
ASP95 H 1.00 0.000 1.00 0.00
PHE96 HA 1.00 0.000 1.00 0.00
PHE96 HB2 1.00 0.000 1.00 0.00
PHE96 HB3 1.00 0.000 1.00 0.00
PHE96 HD1 1.00 0.003 1.00 0.00
PHE96 HD2 0.99 0.003 1.00 0.00
PHE96 H 1.00 0.000 1.00 0.00
PHE97 H 1.00 0.000 1.00 0.00

Detailed Probabilities of PHE(96)-HA:

Overall probability: 0.850
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP95 0.50 1.00
PHE96 1.00 1.00
PHE97 0.75 1.00

Expected NOESY Contacts
Proton Expected probability
D95HA 1.00
F96HB2 1.00
F96HB3 1.00
F96HD1 1.00
F96HD2 1.00
F96H 1.00
F96HA 1.00
F97HA 1.00
F97H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP95 HA 1.00 0.352 0.00 0.00
ASP95 H 0.88 0.021 1.00 0.00
PHE96 HA 1.00 0.000 1.00 0.00
PHE96 HB2 1.00 0.000 1.00 0.00
PHE96 HB3 1.00 0.000 1.00 0.00
PHE96 HD1 1.00 0.000 1.00 0.00
PHE96 HD2 1.00 0.000 1.00 0.00
PHE96 H 1.00 0.000 1.00 0.00
PHE97 HA 1.00 0.035 0.50 0.00
PHE97 H 1.00 0.000 1.00 0.00

Detailed Probabilities of PHE(96)-HB2:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE96 0.86 1.00
PHE97 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F96HA 1.00
F96HB3 1.00
F96HD1 1.00
F96HD2 1.00
F96HE2 1.00
F96H 1.00
F96HB2 1.00
F97H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE96 HA 1.00 0.000 1.00 0.00
PHE96 HB2 1.00 0.000 1.00 0.00
PHE96 HB3 1.00 0.000 1.00 0.00
PHE96 HD1 1.00 0.000 1.00 0.00
PHE96 HD2 1.00 0.000 1.00 0.00
PHE96 HE2 1.00 0.296 0.00 0.00
PHE96 H 1.00 0.000 1.00 0.00
PHE97 H 1.00 0.000 1.00 0.00

Detailed Probabilities of PHE(96)-HB3:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE96 1.00 1.00
PHE97 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F96HA 1.00
F96HB2 1.00
F96HD1 1.00
F96HD2 1.00
F96HE2 1.00
F96H 1.00
F96HB3 1.00
F97H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE96 HA 1.00 0.000 1.00 0.00
PHE96 HB2 1.00 0.000 1.00 0.00
PHE96 HB3 1.00 0.000 1.00 0.00
PHE96 HD1 1.00 0.000 1.00 0.00
PHE96 HD2 1.00 0.000 1.00 0.00
PHE96 HE2 1.00 0.011 1.00 0.00
PHE96 H 1.00 0.000 1.00 0.00
PHE96 HE1 0.89 0.011 1.00 0.00
PHE97 H 1.00 0.000 1.00 0.00

Detailed Probabilities of PHE(96)-HD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE96 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F96HA 1.00
F96HB2 1.00
F96HB3 1.00
F96HD2 1.00
F96HE1 1.00
F96HE2 1.00
F96HZ 1.00
F96H 1.00
F96HD1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE96 HA 1.00 0.003 1.00 0.00
PHE96 HB2 1.00 0.003 1.00 0.00
PHE96 HB3 1.00 0.003 1.00 0.00
PHE96 HD1 1.00 0.003 1.00 0.00
PHE96 HD2 1.00 0.003 1.00 0.00
PHE96 HE1 1.00 0.003 1.00 0.00
PHE96 HE2 1.00 0.003 1.00 0.00
PHE96 HZ 1.00 0.003 1.00 0.00
PHE96 H 1.00 0.003 1.00 0.00

Detailed Probabilities of PHE(96)-HD2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE96 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F96HA 1.00
F96HB2 1.00
F96HB3 1.00
F96HD1 1.00
F96HE1 1.00
F96HE2 1.00
F96HZ 1.00
F96H 0.99
F96HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE96 HA 1.00 0.003 1.00 0.00
PHE96 HB2 1.00 0.003 1.00 0.00
PHE96 HB3 1.00 0.003 1.00 0.00
PHE96 HD1 1.00 0.003 1.00 0.00
PHE96 HD2 1.00 0.003 1.00 0.00
PHE96 HE1 1.00 0.003 1.00 0.00
PHE96 HE2 1.00 0.003 1.00 0.00
PHE96 HZ 1.00 0.003 1.00 0.00
PHE96 H 0.99 0.003 1.00 0.00

Detailed Probabilities of PHE(96)-HE1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE96 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F96HD1 1.00
F96HD2 1.00
F96HE2 1.00
F96HZ 1.00
F96HE1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE96 HD1 1.00 0.004 1.00 0.00
PHE96 HD2 1.00 0.004 1.00 0.00
PHE96 HE1 1.00 0.004 1.00 0.00
PHE96 HE2 1.00 0.004 1.00 0.00
PHE96 HZ 1.00 0.004 1.00 0.00
PHE96 HB2 0.90 0.012 1.00 0.00

Detailed Probabilities of PHE(96)-HE2:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE96 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
F96HB2 1.00
F96HB3 1.00
F96HD1 1.00
F96HD2 1.00
F96HE1 1.00
F96HZ 1.00
F96HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE96 HB2 1.00 0.012 1.00 0.00
PHE96 HB3 1.00 0.186 0.00 0.00
PHE96 HD1 1.00 0.004 1.00 0.00
PHE96 HD2 1.00 0.004 1.00 0.00
PHE96 HE1 1.00 0.004 1.00 0.00
PHE96 HE2 1.00 0.004 1.00 0.00
PHE96 HZ 1.00 0.004 1.00 0.00

Detailed Probabilities of PHE(96)-HZ:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE96 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F96HD1 1.00
F96HD2 1.00
F96HE1 1.00
F96HE2 1.00
F96HZ 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE96 HD1 1.00 0.002 1.00 0.00
PHE96 HD2 1.00 0.002 1.00 0.00
PHE96 HE1 1.00 0.002 1.00 0.00
PHE96 HE2 1.00 0.002 1.00 0.00
PHE96 HZ 1.00 0.002 1.00 0.00

Detailed Probabilities of PHE(96)-H:

Overall probability: 0.820
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ASP95 1.00 1.00
PHE96 0.67 1.00
PHE97 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
D95HB2 1.00
D95HB3 1.00
D95H 1.00
D95HA 1.00
F96HA 1.00
F96HB2 1.00
F96HB3 1.00
F96HD1 1.00
F96HD2 0.99
F96H 1.00
F97H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ASP95 HA 1.00 0.000 1.00 0.00
ASP95 HB2 1.00 0.000 1.00 0.00
ASP95 HB3 1.00 0.000 1.00 0.00
ASP95 H 1.00 0.000 1.00 0.00
PHE96 HA 1.00 0.000 1.00 0.00
PHE96 HB2 1.00 0.000 1.00 0.00
PHE96 HB3 1.00 0.000 1.00 0.00
PHE96 HD1 1.00 1.265 0.00 0.00
PHE96 HD2 0.99 1.265 0.01 0.00
PHE96 H 1.00 0.000 1.00 0.00
PHE97 H 1.00 0.000 1.00 0.00