ARECA's report on PHE79

Residue probability: 0.937
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 173.357 175.508 2.010 0.000 0.000
CA 55.953 58.245 3.808 0.822 1.000
CB 40.184 40.078 3.616 1.000 1.000
CD 131.806 131.234 9.579 1.000 1.000
CE1 130.139 130.599 3.219 1.000 1.000
CE2 130.226 130.633 2.839 1.000 1.000
CZ 128.170 129.042 3.448 0.750 1.000
N 126.174 120.315 4.931 1.000 1.000
HA 4.567 4.625 1.237 0.909 1.000
HB2 1.042 2.980 0.399 1.000 1.000
HB3 2.075 2.916 0.434 1.000 1.000
HD 6.720 7.037 0.347 0.875 1.000
HE1 7.097 7.046 0.417 1.000 1.000
HE2 7.097 7.043 0.400 1.000 1.000
HZ 6.990 6.984 1.598 1.000 1.000
H 8.374 8.375 0.710 0.700 1.000

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Detailed Probabilities of PHE(79)-CA:

Overall probability: 0.822
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL78 0.68 1.00
PHE79 0.83 1.00
LEU80 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V78HA 1.00
V78H 0.96
F79HB2 1.00
F79HB3 1.00
F79HD1 1.00
F79H 1.00
F79HA 1.00
L80HA 1.00
L80H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL78 HA 1.00 0.014 1.00 0.12
VAL78 H 0.96 0.148 0.04 0.00
VAL78 HG11 0.61 0.021 1.00 0.21
PHE79 HA 1.00 0.016 1.00 90.61
PHE79 HB2 1.00 0.006 1.00 0.36
PHE79 HB3 1.00 0.018 1.00 0.98
PHE79 HD1 1.00 0.022 1.00 0.06
PHE79 H 1.00 0.043 0.00 0.00
PHE79 HE1 0.74 0.004 1.00 0.18
LEU80 HA 1.00 0.004 1.00 0.08
LEU80 H 1.00 0.002 1.00 0.95

Detailed Probabilities of PHE(79)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE79 1.00 1.00
LEU80 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F79HA 1.00
F79HB3 1.00
F79HD1 1.00
F79HE2 1.00
F79H 1.00
F79HB2 1.00
L80H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE79 HA 1.00 0.001 1.00 0.16
PHE79 HB2 1.00 0.012 1.00 0.57
PHE79 HB3 1.00 0.000 1.00 0.53
PHE79 HD1 1.00 0.001 1.00 0.25
PHE79 HE2 1.00 0.028 1.00 0.07
PHE79 H 1.00 0.004 1.00 0.12
PHE79 HE1 0.90 0.028 1.00 0.07
LEU80 H 1.00 0.007 1.00 0.08

Detailed Probabilities of PHE(79)-CD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE79 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F79HA 1.00
F79HB2 1.00
F79HB3 1.00
F79HD2 1.00
F79HE1 1.00
F79HE2 1.00
F79HZ 1.00
F79H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE79 HA 1.00 0.004 1.00 0.55
PHE79 HB2 1.00 0.023 1.00 1.17
PHE79 HB3 1.00 0.010 1.00 1.13
PHE79 HD1 1.00 0.003 1.00 13.56
PHE79 HE1 1.00 0.006 1.00 3.01
PHE79 HE2 1.00 0.006 1.00 3.01
PHE79 HZ 1.00 0.009 1.00 0.48
PHE79 H 0.99 0.004 1.00 0.56

Detailed Probabilities of PHE(79)-CE1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE79 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F79HD1 1.00
F79HE2 1.00
F79HZ 1.00
F79HE1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE79 HD1 1.00 0.004 1.00 2.44
PHE79 HE1 1.00 0.009 1.00 15.02
PHE79 HE2 1.00 0.009 1.00 15.02
PHE79 HZ 1.00 0.026 1.00 2.55
PHE79 HB3 0.89 0.013 1.00 0.25

Detailed Probabilities of PHE(79)-CE2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE79 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F79HB2 1.00
F79HB3 1.00
F79HD1 1.00
F79HE1 1.00
F79HZ 1.00
F79HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE79 HB2 1.00 0.030 1.00 0.00
PHE79 HB3 1.00 0.013 1.00 0.25
PHE79 HD1 1.00 0.004 1.00 2.44
PHE79 HE1 1.00 0.009 1.00 15.02
PHE79 HE2 1.00 0.009 1.00 15.02
PHE79 HZ 1.00 0.026 1.00 2.55

Detailed Probabilities of PHE(79)-CZ:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE79 0.75 1.00

Expected NOESY Contacts
Proton Expected probability
F79HD1 1.00
F79HE1 1.00
F79HE2 1.00
F79HZ 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE79 HD1 1.00 0.278 0.00 0.00
PHE79 HE1 1.00 0.000 1.00 2.04
PHE79 HE2 1.00 0.000 1.00 2.04
PHE79 HZ 1.00 0.008 1.00 6.79

Detailed Probabilities of PHE(79)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL78 1.00 1.00
PHE79 1.00 1.00
LEU80 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
V78H 1.00
V78HG13 0.98
V78HB 1.00
V78HA 1.00
F79HA 1.00
F79HB2 1.00
F79HB3 1.00
F79HD1 1.00
F79H 1.00
L80H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL78 HA 1.00 0.004 1.00 -1444837.00
VAL78 HB 1.00 0.009 1.00 -177253.00
VAL78 HG11 0.98 0.001 1.00 -714021.00
VAL78 H 1.00 0.005 1.00 -76142.00
VAL78 HG21 0.95 0.004 1.00 -498022.00
PHE79 HA 1.00 0.004 1.00 -275808.00
PHE79 HB2 1.00 0.012 1.00 -198086.00
PHE79 HB3 1.00 0.002 1.00 -291537.00
PHE79 HD1 1.00 0.003 1.00 -341985.00
PHE79 H 1.00 0.002 1.00 -3717956.00
LEU80 H 1.00 0.001 1.00 -131885.00

Detailed Probabilities of PHE(79)-HA:

Overall probability: 0.909
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL78 1.00 1.00
PHE79 1.00 1.00
LEU80 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
V78HA 1.00
V78H 0.96
F79HB2 1.00
F79HB3 1.00
F79HD1 1.00
F79H 1.00
F79HA 1.00
L80HA 1.00
L80H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL78 HA 1.00 0.018 1.00 0.06
VAL78 H 0.96 0.019 1.00 -1716215.00
VAL78 HB 0.85 0.015 1.00 0.17
VAL78 HG11 0.61 0.009 1.00 0.22
PHE79 HA 1.00 0.016 1.00 90.61
PHE79 HB2 1.00 0.001 1.00 0.16
PHE79 HB3 1.00 0.001 1.00 0.17
PHE79 HD1 1.00 0.004 1.00 0.55
PHE79 H 1.00 0.004 1.00 -275808.00
LEU80 HA 1.00 0.627 0.00 0.00
LEU80 H 1.00 0.000 1.00 -931742.00

Detailed Probabilities of PHE(79)-HB2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE79 1.00 1.00
LEU80 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F79HA 1.00
F79HB3 1.00
F79HD1 1.00
F79HE2 1.00
F79H 1.00
F79HB2 1.00
L80H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE79 HA 1.00 0.006 1.00 0.36
PHE79 HB2 1.00 0.012 1.00 0.57
PHE79 HB3 1.00 0.010 1.00 0.59
PHE79 HD1 1.00 0.023 1.00 1.17
PHE79 HE2 1.00 0.030 1.00 0.00
PHE79 H 1.00 0.012 1.00 -198086.00
LEU80 H 1.00 0.016 1.00 -112842.00

Detailed Probabilities of PHE(79)-HB3:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE79 1.00 1.00
LEU80 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F79HA 1.00
F79HB2 1.00
F79HD1 1.00
F79HE2 1.00
F79H 1.00
F79HB3 1.00
L80H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE79 HA 1.00 0.018 1.00 0.98
PHE79 HB2 1.00 0.000 1.00 0.53
PHE79 HB3 1.00 0.001 1.00 0.62
PHE79 HD1 1.00 0.010 1.00 1.13
PHE79 HE2 1.00 0.013 1.00 0.25
PHE79 H 1.00 0.002 1.00 -291537.00
PHE79 HE1 0.89 0.013 1.00 0.25
LEU80 H 1.00 0.001 1.00 -221876.00

Detailed Probabilities of PHE(79)-HD1:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE79 0.88 1.00

Expected NOESY Contacts
Proton Expected probability
F79HA 1.00
F79HB2 1.00
F79HB3 1.00
F79HD2 1.00
F79HE1 1.00
F79HE2 1.00
F79HZ 1.00
F79H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE79 HA 1.00 0.022 1.00 0.06
PHE79 HB2 1.00 0.001 1.00 0.25
PHE79 HB3 1.00 0.001 1.00 0.30
PHE79 HD1 1.00 0.003 1.00 13.56
PHE79 HE1 1.00 0.004 1.00 2.44
PHE79 HE2 1.00 0.004 1.00 2.44
PHE79 HZ 1.00 0.278 0.00 0.00
PHE79 H 0.99 0.003 1.00 -341985.00

Detailed Probabilities of PHE(79)-HE1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE79 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F79HD1 1.00
F79HE2 1.00
F79HZ 1.00
F79HE1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE79 HD1 1.00 0.006 1.00 3.01
PHE79 HE1 1.00 0.009 1.00 15.02
PHE79 HE2 1.00 0.009 1.00 15.02
PHE79 HZ 1.00 0.000 1.00 2.04
PHE79 HA 0.74 0.004 1.00 0.18
PHE79 HB2 0.90 0.028 1.00 0.07
PHE79 HB3 0.89 0.014 1.00 0.07

Detailed Probabilities of PHE(79)-HE2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE79 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F79HB2 1.00
F79HB3 1.00
F79HD1 1.00
F79HE1 1.00
F79HZ 1.00
F79HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE79 HB2 1.00 0.028 1.00 0.07
PHE79 HB3 1.00 0.014 1.00 0.07
PHE79 HD1 1.00 0.006 1.00 3.01
PHE79 HE1 1.00 0.009 1.00 15.02
PHE79 HE2 1.00 0.009 1.00 15.02
PHE79 HZ 1.00 0.000 1.00 2.04

Detailed Probabilities of PHE(79)-HZ:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE79 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F79HD1 1.00
F79HE1 1.00
F79HE2 1.00
F79HZ 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE79 HD1 1.00 0.009 1.00 0.48
PHE79 HE1 1.00 0.026 1.00 2.55
PHE79 HE2 1.00 0.026 1.00 2.55
PHE79 HZ 1.00 0.008 1.00 6.79

Detailed Probabilities of PHE(79)-H:

Overall probability: 0.700
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
VAL78 0.75 1.00
PHE79 0.80 1.00
LEU80 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
V78H 1.00
V78HG13 0.98
V78HB 1.00
V78HA 1.00
F79HA 1.00
F79HB2 1.00
F79HB3 1.00
F79HD1 1.00
F79H 1.00
L80H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
VAL78 HA 1.00 0.005 1.00 1.16
VAL78 HB 1.00 0.006 1.00 0.10
VAL78 HG11 0.98 0.002 1.00 0.63
VAL78 H 1.00 0.051 0.00 0.00
PHE79 HA 1.00 0.043 0.00 0.00
PHE79 HB2 1.00 0.004 1.00 0.12
PHE79 HB3 1.00 0.007 1.00 0.16
PHE79 HD1 1.00 0.004 1.00 0.56
PHE79 H 1.00 0.002 1.00 -3717956.00
LEU80 H 1.00 0.230 0.00 0.00