ARECA's report on PHE12

Residue probability: 0.576
Residue probability confidence: 0.980

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 173.858 175.508 2.010 0.000 0.000
CA 57.236 58.245 3.808 0.750 0.900
CB 39.949 40.078 3.616 0.875 1.000
CD1 131.773 131.234 9.579 0.578 1.000
CD2 131.845 131.352 9.581 0.579 1.000
CE1 131.421 130.599 3.219 0.567 1.000
CE2 131.667 130.633 2.839 0.486 1.000
CZ 129.788 129.042 3.448 0.400 1.000
N 121.868 120.315 4.931 0.389 0.929
HA 4.641 4.625 1.237 0.733 0.900
HB2 3.024 2.980 0.399 0.889 1.000
HB3 2.977 2.916 0.434 0.663 1.000
HD1 7.187 7.037 0.347 0.667 1.000
HD2 7.187 7.022 0.417 0.668 1.000
HE1 7.229 7.046 0.417 0.533 1.000
HE2 7.229 7.043 0.400 0.315 1.000
HZ 7.276 6.984 1.598 0.160 1.000
H 8.451 8.375 0.710 0.543 0.929

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Detailed Probabilities of PHE(12)-CA:

Overall probability: 0.750
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET11 1.00 0.50
PHE12 0.64 1.00
ILE13 0.75 1.00

Expected NOESY Contacts
Proton Expected probability
M11HA 1.00
M11H 0.96
F12HB2 1.00
F12HB3 1.00
F12HD1 1.00
F12HD2 1.00
F12H 1.00
F12HA 1.00
I13H 1.00
I13HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET11 HA 1.00 0.017 1.00 0.14
MET11 HB2 0.67 0.004 1.00 0.11
MET11 HB3 0.85 0.003 1.00 0.07
PHE12 HA 1.00 0.077 0.00 0.00
PHE12 HB2 1.00 0.012 1.00 0.68
PHE12 HB3 1.00 0.035 0.50 0.00
PHE12 HD1 1.00 0.017 1.00 0.27
PHE12 HD2 1.00 0.017 1.00 0.27
PHE12 H 1.00 0.114 0.00 0.00
PHE12 HE1 0.74 0.025 1.00 0.30
ILE13 HA 1.00 0.040 0.00 0.00
ILE13 H 1.00 0.006 1.00 0.95
ILE13 HB 0.53 0.020 1.00 0.13
ILE13 HG12 0.53 0.004 1.00 0.36

Detailed Probabilities of PHE(12)-CB:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE12 0.86 1.00
ILE13 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F12HA 1.00
F12HB2 1.00
F12HD1 1.00
F12HD2 1.00
F12HE2 1.00
F12H 1.00
F12HB3 1.00
I13H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE12 HA 1.00 0.006 1.00 0.46
PHE12 HB2 1.00 0.028 1.00 4.41
PHE12 HB3 1.00 0.019 1.00 4.41
PHE12 HD1 1.00 0.000 1.00 0.49
PHE12 HD2 1.00 0.000 1.00 0.49
PHE12 HE2 1.00 0.042 0.00 0.00
PHE12 H 1.00 0.004 1.00 0.09
ILE13 H 1.00 0.013 1.00 0.10

Detailed Probabilities of PHE(12)-CD1:

Overall probability: 0.578
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE12 0.58 1.00

Expected NOESY Contacts
Proton Expected probability
F12HA 1.00
F12HB2 1.00
F12HB3 1.00
F12HD2 1.00
F12HE1 1.00
F12HE2 1.00
F12HZ 1.00
F12H 1.00
F12HD1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE12 HA 1.00 0.023 1.00 0.06
PHE12 HB2 1.00 0.018 1.00 0.73
PHE12 HB3 1.00 0.022 1.00 0.17
PHE12 HD1 1.00 0.002 1.00 8.62
PHE12 HD2 1.00 0.002 1.00 8.62
PHE12 HE1 1.00 0.039 0.10 0.00
PHE12 HE2 1.00 0.039 0.10 0.00
PHE12 HZ 1.00 0.086 0.00 0.00
PHE12 H 1.00 0.576 0.00 0.00

Detailed Probabilities of PHE(12)-CD2:

Overall probability: 0.579
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE12 0.58 1.00

Expected NOESY Contacts
Proton Expected probability
F12HA 1.00
F12HB2 1.00
F12HB3 1.00
F12HD1 1.00
F12HE1 1.00
F12HE2 1.00
F12HZ 1.00
F12H 0.99
F12HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE12 HA 1.00 0.023 1.00 0.06
PHE12 HB2 1.00 0.018 1.00 0.73
PHE12 HB3 1.00 0.022 1.00 0.17
PHE12 HD1 1.00 0.002 1.00 8.62
PHE12 HD2 1.00 0.002 1.00 8.62
PHE12 HE1 1.00 0.039 0.10 0.00
PHE12 HE2 1.00 0.039 0.10 0.00
PHE12 HZ 1.00 0.086 0.00 0.00
PHE12 H 0.99 0.576 0.01 0.00

Detailed Probabilities of PHE(12)-CE1:

Overall probability: 0.567
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE12 0.57 1.00

Expected NOESY Contacts
Proton Expected probability
F12HD1 1.00
F12HD2 1.00
F12HE2 1.00
F12HZ 1.00
F12HE1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE12 HD1 1.00 0.046 0.00 0.00
PHE12 HD2 1.00 0.046 0.00 0.00
PHE12 HE1 1.00 0.004 1.00 8.35
PHE12 HE2 1.00 0.004 1.00 8.35
PHE12 HZ 1.00 0.036 0.40 0.00
PHE12 HB2 0.90 0.001 1.00 0.80

Detailed Probabilities of PHE(12)-CE2:

Overall probability: 0.486
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE12 0.49 1.00

Expected NOESY Contacts
Proton Expected probability
F12HB2 1.00
F12HB3 1.00
F12HD1 1.00
F12HD2 1.00
F12HE1 1.00
F12HZ 1.00
F12HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE12 HB2 1.00 0.001 1.00 0.80
PHE12 HB3 1.00 1.010 0.00 0.00
PHE12 HD1 1.00 0.046 0.00 0.00
PHE12 HD2 1.00 0.046 0.00 0.00
PHE12 HE1 1.00 0.004 1.00 8.35
PHE12 HE2 1.00 0.004 1.00 8.35
PHE12 HZ 1.00 0.036 0.40 0.00

Detailed Probabilities of PHE(12)-CZ:

Overall probability: 0.400
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE12 0.40 1.00

Expected NOESY Contacts
Proton Expected probability
F12HD1 1.00
F12HD2 1.00
F12HE1 1.00
F12HE2 1.00
F12HZ 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE12 HD1 1.00 0.015 1.00 0.16
PHE12 HD2 1.00 0.015 1.00 0.16
PHE12 HE1 1.00 0.057 0.00 0.00
PHE12 HE2 1.00 0.057 0.00 0.00
PHE12 HZ 1.00 0.104 0.00 0.00

Detailed Probabilities of PHE(12)-N:

Overall probability: 0.389
Overall confidence: 0.929

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET11 0.60 0.83
PHE12 0.34 1.00
ILE13 0.02 1.00

Expected NOESY Contacts
Proton Expected probability
M11H 1.00
M11HG3 0.97
M11HG2 0.98
M11HB2 1.00
M11HA 1.00
M11HB3 1.00
F12HA 1.00
F12HB2 1.00
F12HB3 1.00
F12HD1 1.00
F12HD2 0.99
F12H 1.00
I13HA 0.96
I13H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET11 HA 1.00 0.004 1.00 -263429.00
MET11 HB2 1.00 0.409 0.00 0.00
MET11 HB3 1.00 0.523 0.00 0.00
MET11 HG2 0.98 0.007 1.00 -81657.00
MET11 HG3 0.97 0.002 1.00 -81657.00
PHE12 HA 1.00 0.164 0.00 0.00
PHE12 HB2 1.00 0.048 0.00 0.00
PHE12 HB3 1.00 0.001 1.00 -101187.00
PHE12 HD1 1.00 1.267 0.00 0.00
PHE12 HD2 0.99 1.267 0.01 0.00
PHE12 H 1.00 0.003 1.00 -221406.00
ILE13 HA 0.96 0.102 0.04 0.00
ILE13 H 1.00 0.504 0.00 0.00

Detailed Probabilities of PHE(12)-HA:

Overall probability: 0.733
Overall confidence: 0.900

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET11 1.00 0.50
PHE12 0.63 1.00
ILE13 0.75 1.00

Expected NOESY Contacts
Proton Expected probability
M11HA 1.00
M11H 0.96
F12HB2 1.00
F12HB3 1.00
F12HD1 1.00
F12HD2 1.00
F12H 1.00
F12HA 1.00
I13H 1.00
I13HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET11 HA 1.00 0.013 1.00 0.06
MET11 HB3 0.85 0.019 1.00 0.67
PHE12 HA 1.00 0.077 0.00 0.00
PHE12 HB2 1.00 0.032 0.80 0.00
PHE12 HB3 1.00 0.006 1.00 0.46
PHE12 HD1 1.00 0.023 1.00 0.06
PHE12 HD2 1.00 0.023 1.00 0.06
PHE12 H 1.00 0.164 0.00 0.00
ILE13 HA 1.00 0.063 0.00 0.00
ILE13 H 1.00 0.010 1.00 -658236.00
ILE13 HG12 0.53 0.004 1.00 0.09
ILE13 HG13 0.66 0.002 1.00 0.07

Detailed Probabilities of PHE(12)-HB2:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE12 0.88 1.00
ILE13 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F12HA 1.00
F12HB3 1.00
F12HD1 1.00
F12HD2 1.00
F12HE2 1.00
F12H 1.00
F12HB2 1.00
I13H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE12 HA 1.00 0.012 1.00 0.68
PHE12 HB2 1.00 0.004 1.00 6.62
PHE12 HB3 1.00 0.028 1.00 4.41
PHE12 HD1 1.00 0.018 1.00 0.73
PHE12 HD2 1.00 0.018 1.00 0.73
PHE12 HE2 1.00 0.001 1.00 0.80
PHE12 H 1.00 0.048 0.00 0.00
PHE12 HE1 0.90 0.001 1.00 0.80
ILE13 H 1.00 0.015 1.00 -178480.00

Detailed Probabilities of PHE(12)-HB3:

Overall probability: 0.663
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE12 0.64 1.00
ILE13 0.80 1.00

Expected NOESY Contacts
Proton Expected probability
F12HA 1.00
F12HB2 1.00
F12HD1 1.00
F12HD2 1.00
F12HE2 1.00
F12H 1.00
F12HB3 1.00
I13H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE12 HA 1.00 0.035 0.50 0.00
PHE12 HB2 1.00 0.043 0.00 0.00
PHE12 HB3 1.00 0.019 1.00 4.41
PHE12 HD1 1.00 0.022 1.00 0.17
PHE12 HD2 1.00 0.022 1.00 0.17
PHE12 HE2 1.00 1.010 0.00 0.00
PHE12 H 1.00 0.001 1.00 -101187.00
ILE13 H 1.00 0.032 0.80 0.00

Detailed Probabilities of PHE(12)-HD1:

Overall probability: 0.667
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE12 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
F12HA 1.00
F12HB2 1.00
F12HB3 1.00
F12HD2 1.00
F12HE1 1.00
F12HE2 1.00
F12HZ 1.00
F12H 1.00
F12HD1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE12 HA 1.00 0.017 1.00 0.27
PHE12 HB2 1.00 0.000 1.00 0.48
PHE12 HB3 1.00 0.000 1.00 0.49
PHE12 HD1 1.00 0.002 1.00 8.62
PHE12 HD2 1.00 0.002 1.00 8.62
PHE12 HE1 1.00 0.046 0.00 0.00
PHE12 HE2 1.00 0.046 0.00 0.00
PHE12 HZ 1.00 0.015 1.00 0.16
PHE12 H 1.00 1.267 0.00 0.00

Detailed Probabilities of PHE(12)-HD2:

Overall probability: 0.668
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE12 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
F12HA 1.00
F12HB2 1.00
F12HB3 1.00
F12HD1 1.00
F12HE1 1.00
F12HE2 1.00
F12HZ 1.00
F12H 0.99
F12HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE12 HA 1.00 0.017 1.00 0.27
PHE12 HB2 1.00 0.000 1.00 0.48
PHE12 HB3 1.00 0.000 1.00 0.49
PHE12 HD1 1.00 0.002 1.00 8.62
PHE12 HD2 1.00 0.002 1.00 8.62
PHE12 HE1 1.00 0.046 0.00 0.00
PHE12 HE2 1.00 0.046 0.00 0.00
PHE12 HZ 1.00 0.015 1.00 0.16
PHE12 H 0.99 1.267 0.01 0.00

Detailed Probabilities of PHE(12)-HE1:

Overall probability: 0.533
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE12 0.53 1.00

Expected NOESY Contacts
Proton Expected probability
F12HD1 1.00
F12HD2 1.00
F12HE2 1.00
F12HZ 1.00
F12HE1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE12 HD1 1.00 0.039 0.10 0.00
PHE12 HD2 1.00 0.039 0.10 0.00
PHE12 HE1 1.00 0.004 1.00 8.35
PHE12 HE2 1.00 0.004 1.00 8.35
PHE12 HZ 1.00 0.057 0.00 0.00
PHE12 HA 0.74 0.025 1.00 0.30

Detailed Probabilities of PHE(12)-HE2:

Overall probability: 0.315
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE12 0.31 1.00

Expected NOESY Contacts
Proton Expected probability
F12HB2 1.00
F12HB3 1.00
F12HD1 1.00
F12HD2 1.00
F12HE1 1.00
F12HZ 1.00
F12HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE12 HB2 1.00 0.042 0.00 0.00
PHE12 HB3 1.00 0.042 0.00 0.00
PHE12 HD1 1.00 0.039 0.10 0.00
PHE12 HD2 1.00 0.039 0.10 0.00
PHE12 HE1 1.00 0.004 1.00 8.35
PHE12 HE2 1.00 0.004 1.00 8.35
PHE12 HZ 1.00 0.057 0.00 0.00

Detailed Probabilities of PHE(12)-HZ:

Overall probability: 0.160
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE12 0.16 1.00

Expected NOESY Contacts
Proton Expected probability
F12HD1 1.00
F12HD2 1.00
F12HE1 1.00
F12HE2 1.00
F12HZ 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE12 HD1 1.00 0.086 0.00 0.00
PHE12 HD2 1.00 0.086 0.00 0.00
PHE12 HE1 1.00 0.036 0.40 0.00
PHE12 HE2 1.00 0.036 0.40 0.00
PHE12 HZ 1.00 0.104 0.00 0.00

Detailed Probabilities of PHE(12)-H:

Overall probability: 0.543
Overall confidence: 0.929

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
MET11 0.80 0.83
PHE12 0.50 1.00
ILE13 0.02 1.00

Expected NOESY Contacts
Proton Expected probability
M11H 1.00
M11HG3 0.97
M11HG2 0.98
M11HB2 1.00
M11HA 1.00
M11HB3 1.00
F12HA 1.00
F12HB2 1.00
F12HB3 1.00
F12HD1 1.00
F12HD2 0.99
F12H 1.00
I13HA 0.96
I13H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
MET11 HA 1.00 0.002 1.00 0.41
MET11 HB2 1.00 0.012 1.00 0.09
MET11 HB3 1.00 0.092 0.00 0.00
MET11 HG2 0.98 0.012 1.00 0.06
MET11 HG3 0.97 0.012 1.00 0.06
PHE12 HA 1.00 0.114 0.00 0.00
PHE12 HB2 1.00 0.005 1.00 0.11
PHE12 HB3 1.00 0.004 1.00 0.09
PHE12 HD1 1.00 0.576 0.00 0.00
PHE12 HD2 0.99 0.576 0.01 0.00
PHE12 H 1.00 0.003 1.00 -221406.00
ILE13 HA 0.96 0.341 0.04 0.00
ILE13 H 1.00 0.505 0.00 0.00