ARECA's report on ILE27

Residue probability: 0.749
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 58.290 61.717 4.152 0.490 1.000
CB 39.245 38.702 3.945 0.778 1.000
CG1 27.157 27.785 2.037 0.857 1.000
CG2 17.678 17.574 1.928 0.857 1.000
CD1 13.986 13.545 3.646 0.857 1.000
N 124.997 121.467 6.098 0.887 1.000
HA 4.694 4.185 1.403 0.926 1.000
HB 1.813 1.776 0.310 0.778 1.000
HG12 0.970 1.271 0.411 0.471 1.000
HG13 1.237 1.186 0.426 0.857 1.000
HG2 0.918 0.762 0.283 0.714 1.000
HD1 0.665 0.668 0.293 0.718 1.000
H 9.301 8.301 0.685 0.540 1.000

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Detailed Probabilities of ILE(27)-CA:

Overall probability: 0.490
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE26 0.41 1.00
ILE27 0.58 1.00
PRO28 0.37 1.00

Expected NOESY Contacts
Proton Expected probability
F26H 0.96
F26HA 1.00
I27HB 1.00
I27HG12 1.00
I27HG13 1.00
I27HG21 1.00
I27HD11 0.97
I27H 1.00
I27HA 1.00
P28HA 1.00
P28HD2 1.00
P28HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE26 HA 1.00 0.038 0.20 0.00
PHE26 H 0.96 0.058 0.04 0.00
PHE26 HB3 0.83 0.015 1.00 0.48
ILE27 HA 1.00 0.001 1.00 1.44
ILE27 HB 1.00 0.002 1.00 0.44
ILE27 HG12 1.00 0.025 1.00 0.77
ILE27 HG13 1.00 0.090 0.00 0.00
ILE27 HG21 1.00 0.027 1.00 0.77
ILE27 HD11 0.97 0.280 0.03 0.00
ILE27 H 1.00 0.118 0.00 0.00
PRO28 HA 1.00 0.078 0.00 0.00
PRO28 HD2 1.00 0.010 1.00 1.02
PRO28 HD3 1.00 0.039 0.10 0.00

Detailed Probabilities of ILE(27)-CB:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE27 0.86 1.00
PRO28 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
I27HA 1.00
I27HG12 1.00
I27HG13 1.00
I27HG21 1.00
I27HD11 1.00
I27H 1.00
I27HB 1.00
P28HD3 1.00
P28HD2 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE27 HA 1.00 0.003 1.00 0.16
ILE27 HB 1.00 0.004 1.00 3.30
ILE27 HG12 1.00 0.051 0.00 0.00
ILE27 HG13 1.00 0.008 1.00 0.40
ILE27 HG21 1.00 0.001 1.00 1.30
ILE27 HD11 1.00 0.004 1.00 0.63
ILE27 H 1.00 0.007 1.00 0.39
PRO28 HD2 0.99 0.261 0.01 0.00
PRO28 HD3 1.00 0.001 1.00 0.06

Detailed Probabilities of ILE(27)-CG1:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE27 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
I27HA 1.00
I27HB 1.00
I27HG12 1.00
I27HG21 1.00
I27HD11 1.00
I27H 1.00
I27HG13 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE27 HA 1.00 0.005 1.00 0.26
ILE27 HB 1.00 0.024 1.00 0.61
ILE27 HG12 1.00 0.006 1.00 3.11
ILE27 HG13 1.00 0.003 1.00 10.96
ILE27 HG21 1.00 0.046 0.00 0.00
ILE27 HD11 1.00 0.002 1.00 1.12
ILE27 H 1.00 0.006 1.00 0.27

Detailed Probabilities of ILE(27)-CG2:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE27 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
I27HA 1.00
I27HB 1.00
I27HG12 1.00
I27HG13 1.00
I27HG22 1.00
I27HD11 0.99
I27H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE27 HA 1.00 0.005 1.00 1.03
ILE27 HB 1.00 0.010 1.00 2.37
ILE27 HG12 1.00 0.053 0.00 0.00
ILE27 HG13 1.00 0.008 1.00 0.84
ILE27 HG21 1.00 0.001 1.00 72.70
ILE27 HD11 0.99 0.001 1.00 3.70
ILE27 H 1.00 0.009 1.00 0.28

Detailed Probabilities of ILE(27)-CD1:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE27 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
I27HA 0.97
I27HB 1.00
I27HG12 1.00
I27HG13 1.00
I27HG21 0.99
I27HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE27 HA 0.97 0.004 1.00 0.24
ILE27 HB 1.00 0.006 1.00 1.10
ILE27 HG12 1.00 0.046 0.00 0.00
ILE27 HG13 1.00 0.007 1.00 1.56
ILE27 HG21 0.99 0.006 1.00 3.02
ILE27 HD11 1.00 0.006 1.00 71.18
ILE27 H 0.94 0.005 1.00 0.29

Detailed Probabilities of ILE(27)-N:

Overall probability: 0.887
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE26 1.00 1.00
ILE27 0.90 1.00
PRO28 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
F26HB3 1.00
F26HA 1.00
F26HB2 1.00
F26H 1.00
I27HA 1.00
I27HB 1.00
I27HG12 1.00
I27HG13 1.00
I27HG21 1.00
I27H 1.00
P28HD2 0.99
P28HD3 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE26 HA 1.00 0.005 1.00 -1414886.00
PHE26 HB2 1.00 0.006 1.00 -158241.00
PHE26 HB3 1.00 0.008 1.00 -96537.00
PHE26 H 1.00 0.001 1.00 -97592.00
PHE26 HD1 0.77 0.001 1.00 -108712.00
PHE26 HD2 0.64 0.001 1.00 -108712.00
ILE27 HA 1.00 0.006 1.00 -233202.00
ILE27 HB 1.00 0.008 1.00 -631267.00
ILE27 HG12 1.00 0.037 0.30 0.00
ILE27 HG13 1.00 0.007 1.00 -363176.00
ILE27 HG21 1.00 0.015 1.00 -347995.00
ILE27 H 1.00 0.006 1.00 -3420264.00
ILE27 HD11 0.94 0.002 1.00 -279991.00
PRO28 HD2 0.99 0.270 0.01 0.00
PRO28 HD3 0.99 0.008 1.00 -110305.00

Detailed Probabilities of ILE(27)-HA:

Overall probability: 0.926
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE26 0.52 1.00
ILE27 1.00 1.00
PRO28 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F26H 0.96
F26HA 1.00
I27HB 1.00
I27HG12 1.00
I27HG13 1.00
I27HG21 1.00
I27HD11 0.97
I27H 1.00
I27HA 1.00
P28HA 1.00
P28HD2 1.00
P28HD3 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE26 HA 1.00 0.027 1.00 0.52
PHE26 H 0.96 0.142 0.04 0.00
ILE27 HA 1.00 0.001 1.00 1.44
ILE27 HB 1.00 0.003 1.00 0.16
ILE27 HG12 1.00 0.002 1.00 0.27
ILE27 HG13 1.00 0.005 1.00 0.26
ILE27 HG21 1.00 0.005 1.00 1.03
ILE27 HD11 0.97 0.004 1.00 0.24
ILE27 H 1.00 0.006 1.00 -233202.00
PRO28 HA 1.00 0.019 1.00 0.21
PRO28 HD2 1.00 0.005 1.00 0.63
PRO28 HD3 1.00 0.002 1.00 0.58
PRO28 HG3 0.88 0.001 1.00 0.17

Detailed Probabilities of ILE(27)-HB:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE27 1.00 1.00
PRO28 0.00 1.00

Expected NOESY Contacts
Proton Expected probability
I27HA 1.00
I27HG12 1.00
I27HG13 1.00
I27HG21 1.00
I27HD11 1.00
I27H 1.00
I27HB 1.00
P28HD3 1.00
P28HD2 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE27 HA 1.00 0.002 1.00 0.44
ILE27 HB 1.00 0.004 1.00 3.30
ILE27 HG12 1.00 0.006 1.00 0.35
ILE27 HG13 1.00 0.024 1.00 0.61
ILE27 HG21 1.00 0.010 1.00 2.37
ILE27 HD11 1.00 0.006 1.00 1.10
ILE27 H 1.00 0.008 1.00 -631267.00
PRO28 HD2 0.99 0.063 0.01 0.00
PRO28 HD3 1.00 0.045 0.00 0.00

Detailed Probabilities of ILE(27)-HG12:

Overall probability: 0.471
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE27 0.47 1.00

Expected NOESY Contacts
Proton Expected probability
I27HA 1.00
I27HB 1.00
I27HG13 1.00
I27HG21 1.00
I27HD11 1.00
I27H 1.00
I27HG12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE27 HA 1.00 0.025 1.00 0.77
ILE27 HB 1.00 0.051 0.00 0.00
ILE27 HG12 1.00 0.010 1.00 5.90
ILE27 HG13 1.00 0.006 1.00 3.11
ILE27 HG21 1.00 0.053 0.00 0.00
ILE27 HD11 1.00 0.046 0.00 0.00
ILE27 H 1.00 0.037 0.30 0.00

Detailed Probabilities of ILE(27)-HG13:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE27 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
I27HA 1.00
I27HB 1.00
I27HG12 1.00
I27HG21 1.00
I27HD11 1.00
I27H 1.00
I27HG13 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE27 HA 1.00 0.090 0.00 0.00
ILE27 HB 1.00 0.008 1.00 0.40
ILE27 HG12 1.00 0.009 1.00 3.04
ILE27 HG13 1.00 0.003 1.00 10.96
ILE27 HG21 1.00 0.008 1.00 0.84
ILE27 HD11 1.00 0.007 1.00 1.56
ILE27 H 1.00 0.007 1.00 -363176.00

Detailed Probabilities of ILE(27)-HG21:

Overall probability: 0.714
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE27 0.71 1.00

Expected NOESY Contacts
Proton Expected probability
I27HA 1.00
I27HB 1.00
I27HG12 1.00
I27HG13 1.00
I27HG22 1.00
I27HD11 0.99
I27H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE27 HA 1.00 0.027 1.00 0.77
ILE27 HB 1.00 0.001 1.00 1.30
ILE27 HG12 1.00 0.042 0.00 0.00
ILE27 HG13 1.00 0.046 0.00 0.00
ILE27 HG21 1.00 0.001 1.00 72.70
ILE27 HD11 0.99 0.006 1.00 3.02
ILE27 H 1.00 0.015 1.00 -347995.00

Detailed Probabilities of ILE(27)-HD11:

Overall probability: 0.718
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE27 0.72 1.00

Expected NOESY Contacts
Proton Expected probability
I27HA 0.97
I27HB 1.00
I27HG12 1.00
I27HG13 1.00
I27HG21 0.99
I27HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE27 HA 0.97 0.280 0.03 0.00
ILE27 HB 1.00 0.004 1.00 0.63
ILE27 HG12 1.00 0.123 0.00 0.00
ILE27 HG13 1.00 0.002 1.00 1.12
ILE27 HG21 0.99 0.001 1.00 3.70
ILE27 HD11 1.00 0.006 1.00 71.18
ILE27 H 0.94 0.002 1.00 -279991.00

Detailed Probabilities of ILE(27)-H:

Overall probability: 0.540
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE26 0.25 1.00
ILE27 0.86 1.00
PRO28 0.01 1.00

Expected NOESY Contacts
Proton Expected probability
F26HB3 1.00
F26HA 1.00
F26HB2 1.00
F26H 1.00
I27HA 1.00
I27HB 1.00
I27HG12 1.00
I27HG13 1.00
I27HG21 1.00
I27H 1.00
P28HD2 0.99
P28HD3 0.99


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE26 HA 1.00 0.106 0.00 0.00
PHE26 HB2 1.00 0.002 1.00 0.06
PHE26 HB3 1.00 0.095 0.00 0.00
PHE26 H 1.00 0.096 0.00 0.00
ILE27 HA 1.00 0.118 0.00 0.00
ILE27 HB 1.00 0.007 1.00 0.39
ILE27 HG12 1.00 0.003 1.00 0.21
ILE27 HG13 1.00 0.006 1.00 0.27
ILE27 HG21 1.00 0.009 1.00 0.28
ILE27 H 1.00 0.006 1.00 -3420264.00
ILE27 HD11 0.94 0.005 1.00 0.29
PRO28 HD2 0.99 0.103 0.01 0.00
PRO28 HD3 0.99 0.103 0.01 0.00