ARECA's report on ILE13

Residue probability: 0.927
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 174.482 175.926 2.710 0.000 0.000
CA 60.425 61.717 4.152 0.731 1.000
CB 38.641 38.702 3.945 1.000 1.000
CG1 28.205 27.785 2.037 1.000 1.000
CG2 17.951 17.574 1.928 1.000 1.000
CD1 14.943 13.545 3.646 1.000 1.000
N 122.825 121.467 6.098 0.900 1.000
HA 4.149 4.185 1.403 0.731 1.000
HB 1.462 1.776 0.310 0.889 1.000
HG12 1.491 1.271 0.411 0.875 1.000
HG13 0.747 1.186 0.426 1.000 1.000
HG2 0.764 0.762 0.283 1.000 1.000
HD1 0.747 0.668 0.293 1.000 1.000
H 7.950 8.301 0.685 0.923 1.000

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Detailed Probabilities of ILE(13)-CA:

Overall probability: 0.731
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE12 0.02 1.00
ILE13 1.00 1.00
GLN14 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
F12H 0.96
F12HA 1.00
I13HB 1.00
I13HG12 1.00
I13HG13 1.00
I13HG21 1.00
I13HD11 0.97
I13H 1.00
I13HA 1.00
Q14H 1.00
Q14HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE12 HA 1.00 0.063 0.00 0.00
PHE12 H 0.96 0.341 0.04 0.00
ILE13 HA 1.00 0.005 1.00 14.00
ILE13 HB 1.00 0.006 1.00 0.73
ILE13 HG12 1.00 0.023 1.00 0.73
ILE13 HG13 1.00 0.008 1.00 1.02
ILE13 HG21 1.00 0.009 1.00 1.02
ILE13 HD11 0.97 0.008 1.00 1.02
ILE13 H 1.00 0.016 1.00 0.86
GLN14 HA 1.00 0.063 0.00 0.00
GLN14 H 1.00 0.009 1.00 0.86

Detailed Probabilities of ILE(13)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE13 1.00 1.00
GLN14 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I13HA 1.00
I13HG12 1.00
I13HG13 1.00
I13HG21 1.00
I13HD11 1.00
I13H 1.00
I13HB 1.00
Q14H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE13 HA 1.00 0.004 1.00 0.23
ILE13 HB 1.00 0.001 1.00 4.70
ILE13 HG12 1.00 0.028 1.00 4.70
ILE13 HG13 1.00 0.007 1.00 2.30
ILE13 HG21 1.00 0.010 1.00 2.30
ILE13 HD11 1.00 0.007 1.00 2.30
ILE13 H 1.00 0.004 1.00 0.51
GLN14 H 1.00 0.021 1.00 0.51

Detailed Probabilities of ILE(13)-CG1:

Overall probability: 1.000
Overall confidence: 1.000

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

Expected NOESY Contacts
Proton Expected probability
I13HA 1.00
I13HB 1.00
I13HG12 1.00
I13HG21 1.00
I13HD11 1.00
I13H 1.00
I13HG13 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE13 HA 1.00 0.003 1.00 0.26
ILE13 HB 1.00 0.025 1.00 1.96
ILE13 HG12 1.00 0.004 1.00 1.96
ILE13 HG13 1.00 0.003 1.00 5.18
ILE13 HG21 1.00 0.014 1.00 5.18
ILE13 HD11 1.00 0.003 1.00 5.18
ILE13 H 1.00 0.005 1.00 0.21

Detailed Probabilities of ILE(13)-CG2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE13 1.00 1.00
GLN14 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I13HA 1.00
I13HB 1.00
I13HG12 1.00
I13HG13 1.00
I13HG22 1.00
I13HD11 0.99
I13H 1.00
Q14H 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE13 HA 1.00 0.008 1.00 0.76
ILE13 HB 1.00 0.005 1.00 1.72
ILE13 HG12 1.00 0.024 1.00 1.72
ILE13 HG13 1.00 0.013 1.00 35.39
ILE13 HG21 1.00 0.004 1.00 35.39
ILE13 HD11 0.99 0.013 1.00 35.39
ILE13 H 1.00 0.014 1.00 0.68
GLN14 H 0.99 0.011 1.00 0.68

Detailed Probabilities of ILE(13)-CD1:

Overall probability: 1.000
Overall confidence: 1.000

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

Expected NOESY Contacts
Proton Expected probability
I13HA 0.97
I13HB 1.00
I13HG12 1.00
I13HG13 1.00
I13HG21 0.99
I13HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE13 HA 0.97 0.011 1.00 0.33
ILE13 HB 1.00 0.020 1.00 2.27
ILE13 HG12 1.00 0.009 1.00 2.27
ILE13 HG13 1.00 0.019 1.00 40.86
ILE13 HG21 0.99 0.002 1.00 40.86
ILE13 HD11 1.00 0.019 1.00 40.86
ILE13 H 0.94 0.003 1.00 0.34

Detailed Probabilities of ILE(13)-N:

Overall probability: 0.900
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE12 0.70 1.00
ILE13 1.00 1.00
GLN14 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F12HB3 1.00
F12HA 1.00
F12HB2 1.00
F12H 1.00
I13HA 1.00
I13HB 1.00
I13HG12 1.00
I13HG13 1.00
I13HG21 1.00
I13H 1.00
Q14H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE12 HA 1.00 0.010 1.00 -658236.00
PHE12 HB2 1.00 0.015 1.00 -178480.00
PHE12 HB3 1.00 0.032 0.80 0.00
PHE12 H 1.00 0.505 0.00 0.00
ILE13 HA 1.00 0.003 1.00 -164709.00
ILE13 HB 1.00 0.004 1.00 -693226.00
ILE13 HG12 1.00 0.025 1.00 -693226.00
ILE13 HG13 1.00 0.004 1.00 -507972.00
ILE13 HG21 1.00 0.013 1.00 -507972.00
ILE13 H 1.00 0.004 1.00 -2221981.00
ILE13 HD11 0.94 0.004 1.00 -507972.00
GLN14 H 1.00 0.021 1.00 -2221981.00

Detailed Probabilities of ILE(13)-HA:

Overall probability: 0.731
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE12 0.02 1.00
ILE13 1.00 1.00
GLN14 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
F12H 0.96
F12HA 1.00
I13HB 1.00
I13HG12 1.00
I13HG13 1.00
I13HG21 1.00
I13HD11 0.97
I13H 1.00
I13HA 1.00
Q14H 1.00
Q14HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE12 HA 1.00 0.040 0.00 0.00
PHE12 H 0.96 0.102 0.04 0.00
ILE13 HA 1.00 0.005 1.00 14.00
ILE13 HB 1.00 0.004 1.00 0.23
ILE13 HG12 1.00 0.003 1.00 0.20
ILE13 HG13 1.00 0.003 1.00 0.26
ILE13 HG21 1.00 0.008 1.00 0.76
ILE13 HD11 0.97 0.011 1.00 0.33
ILE13 H 1.00 0.003 1.00 -164709.00
GLN14 HA 1.00 0.059 0.00 0.00
GLN14 H 1.00 0.003 1.00 -1378659.00

Detailed Probabilities of ILE(13)-HB:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE13 0.86 1.00
GLN14 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I13HA 1.00
I13HG12 1.00
I13HG13 1.00
I13HG21 1.00
I13HD11 1.00
I13H 1.00
I13HB 1.00
Q14H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE13 HA 1.00 0.006 1.00 0.73
ILE13 HB 1.00 0.001 1.00 4.70
ILE13 HG12 1.00 0.545 0.00 0.00
ILE13 HG13 1.00 0.025 1.00 1.96
ILE13 HG21 1.00 0.005 1.00 1.72
ILE13 HD11 1.00 0.020 1.00 2.27
ILE13 H 1.00 0.004 1.00 -693226.00
GLN14 H 1.00 0.005 1.00 -169959.00
GLN14 HA 0.89 0.000 1.00 0.27

Detailed Probabilities of ILE(13)-HG12:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE13 0.86 1.00
GLN14 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I13HA 1.00
I13HB 1.00
I13HG13 1.00
I13HG21 1.00
I13HD11 1.00
I13H 1.00
I13HG12 1.00
Q14H 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE13 HA 1.00 0.023 1.00 0.73
ILE13 HB 1.00 0.028 1.00 4.70
ILE13 HG12 1.00 0.516 0.00 0.00
ILE13 HG13 1.00 0.004 1.00 1.96
ILE13 HG21 1.00 0.024 1.00 1.72
ILE13 HD11 1.00 0.009 1.00 2.27
ILE13 H 1.00 0.025 1.00 -693226.00
GLN14 H 0.99 0.024 1.00 -169959.00

Detailed Probabilities of ILE(13)-HG13:

Overall probability: 1.000
Overall confidence: 1.000

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

Expected NOESY Contacts
Proton Expected probability
I13HA 1.00
I13HB 1.00
I13HG12 1.00
I13HG21 1.00
I13HD11 1.00
I13H 1.00
I13HG13 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE13 HA 1.00 0.008 1.00 1.02
ILE13 HB 1.00 0.007 1.00 2.30
ILE13 HG12 1.00 0.002 1.00 3.66
ILE13 HG13 1.00 0.003 1.00 5.18
ILE13 HG21 1.00 0.013 1.00 35.39
ILE13 HD11 1.00 0.019 1.00 40.86
ILE13 H 1.00 0.004 1.00 -507972.00

Detailed Probabilities of ILE(13)-HG21:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE13 1.00 1.00
GLN14 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I13HA 1.00
I13HB 1.00
I13HG12 1.00
I13HG13 1.00
I13HG22 1.00
I13HD11 0.99
I13H 1.00
Q14H 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE13 HA 1.00 0.009 1.00 1.02
ILE13 HB 1.00 0.010 1.00 2.30
ILE13 HG12 1.00 0.015 1.00 3.66
ILE13 HG13 1.00 0.014 1.00 5.18
ILE13 HG21 1.00 0.004 1.00 35.39
ILE13 HD11 0.99 0.002 1.00 40.86
ILE13 H 1.00 0.013 1.00 -507972.00
GLN14 H 0.99 0.008 1.00 -866555.00
GLN14 HA 0.69 0.002 1.00 0.21

Detailed Probabilities of ILE(13)-HD11:

Overall probability: 1.000
Overall confidence: 1.000

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

Expected NOESY Contacts
Proton Expected probability
I13HA 0.97
I13HB 1.00
I13HG12 1.00
I13HG13 1.00
I13HG21 0.99
I13HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE13 HA 0.97 0.008 1.00 1.02
ILE13 HB 1.00 0.007 1.00 2.30
ILE13 HG12 1.00 0.002 1.00 3.66
ILE13 HG13 1.00 0.003 1.00 5.18
ILE13 HG21 0.99 0.013 1.00 35.39
ILE13 HD11 1.00 0.019 1.00 40.86
ILE13 H 0.94 0.004 1.00 -507972.00

Detailed Probabilities of ILE(13)-H:

Overall probability: 0.923
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE12 0.75 1.00
ILE13 1.00 1.00
GLN14 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F12HB3 1.00
F12HA 1.00
F12HB2 1.00
F12H 1.00
I13HA 1.00
I13HB 1.00
I13HG12 1.00
I13HG13 1.00
I13HG21 1.00
I13H 1.00
Q14H 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 0.95
PHE12 HB2 1.00 0.001 1.00 0.10
PHE12 HB3 1.00 0.013 1.00 0.10
PHE12 H 1.00 0.504 0.00 0.00
ILE13 HA 1.00 0.016 1.00 0.86
ILE13 HB 1.00 0.004 1.00 0.51
ILE13 HG12 1.00 0.006 1.00 0.26
ILE13 HG13 1.00 0.005 1.00 0.21
ILE13 HG21 1.00 0.014 1.00 0.68
ILE13 H 1.00 0.004 1.00 -2221981.00
ILE13 HD11 0.94 0.003 1.00 0.34
GLN14 H 1.00 0.021 1.00 -4138682.00
GLN14 HB2 0.56 0.024 1.00 0.30