ARECA's report on ILE71

Residue probability: 0.802
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 178.357 175.926 2.710 0.000 0.000
CA 64.242 61.717 4.152 0.923 1.000
CB 37.901 38.702 3.945 1.000 1.000
CG1 28.690 27.785 2.037 0.875 1.000
CG2 18.372 17.574 1.928 0.445 1.000
CD1 14.719 13.545 3.646 0.643 1.000
N 116.791 121.467 6.098 0.868 1.000
HA 3.737 4.185 1.403 0.885 1.000
HB 1.896 1.776 0.310 0.750 1.000
HG12 1.693 1.271 0.411 0.875 1.000
HG13 1.022 1.186 0.426 0.625 1.000
HG2 0.817 0.762 0.283 0.889 1.000
HD1 0.654 0.668 0.293 0.715 1.000
H 8.598 8.301 0.685 0.933 1.000

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Detailed Probabilities of ILE(71)-CA:

Overall probability: 0.923
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU70 1.00 1.00
ILE71 1.00 1.00
SER72 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
L70HA 1.00
I71HB 1.00
I71HG12 1.00
I71HG13 1.00
I71HG21 1.00
I71HD11 0.97
I71H 1.00
I71HA 1.00
S72HA 1.00
S72H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU70 HA 1.00 0.012 1.00 0.05
LEU70 HB3 0.92 0.009 1.00 0.09
LEU70 H 0.93 0.011 1.00 0.09
ILE71 HA 1.00 0.006 1.00 4.18
ILE71 HB 1.00 0.002 1.00 0.50
ILE71 HG12 1.00 0.014 1.00 0.56
ILE71 HG13 1.00 0.001 1.00 0.28
ILE71 HG21 1.00 0.004 1.00 1.44
ILE71 HD11 0.97 0.002 1.00 0.26
ILE71 H 1.00 0.011 1.00 0.32
SER72 HA 1.00 0.216 0.00 0.00
SER72 H 1.00 0.001 1.00 0.14
SER72 HB2 0.54 0.027 1.00 0.05

Detailed Probabilities of ILE(71)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 1.00 1.00
SER72 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 1.00
I71HG12 1.00
I71HG13 1.00
I71HG21 1.00
I71HD11 1.00
I71H 1.00
I71HB 1.00
S72H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 1.00 0.024 1.00 0.55
ILE71 HB 1.00 0.016 1.00 3.48
ILE71 HG12 1.00 0.022 1.00 0.55
ILE71 HG13 1.00 0.002 1.00 0.27
ILE71 HG21 1.00 0.022 1.00 1.61
ILE71 HD11 1.00 0.003 1.00 0.79
ILE71 H 1.00 0.011 1.00 0.50
SER72 H 1.00 0.006 1.00 0.17

Detailed Probabilities of ILE(71)-CG1:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.86 1.00
SER72 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 1.00
I71HB 1.00
I71HG13 1.00
I71HG21 1.00
I71HD11 1.00
I71H 1.00
I71HG12 1.00
S72H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 1.00 0.024 1.00 0.25
ILE71 HB 1.00 0.212 0.00 0.00
ILE71 HG12 1.00 0.009 1.00 244.35
ILE71 HG13 1.00 0.002 1.00 0.75
ILE71 HG21 1.00 0.005 1.00 0.62
ILE71 HD11 1.00 0.008 1.00 0.74
ILE71 H 1.00 0.006 1.00 0.26
SER72 H 0.98 0.004 1.00 0.12

Detailed Probabilities of ILE(71)-CG2:

Overall probability: 0.445
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.29 1.00
SER72 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 1.00
I71HB 1.00
I71HG12 1.00
I71HG13 1.00
I71HG22 1.00
I71HD11 0.99
I71H 1.00
S72H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 1.00 0.014 1.00 1.00
ILE71 HB 1.00 0.064 0.00 0.00
ILE71 HG12 1.00 0.016 1.00 0.57
ILE71 HG13 1.00 0.495 0.00 0.00
ILE71 HG21 1.00 0.290 0.00 0.00
ILE71 HD11 0.99 0.127 0.01 0.00
ILE71 H 1.00 0.049 0.00 0.00
SER72 H 0.98 0.029 1.00 0.17
SER72 HA 0.58 0.003 1.00 0.15

Detailed Probabilities of ILE(71)-CD1:

Overall probability: 0.643
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.64 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 0.97
I71HB 1.00
I71HG12 1.00
I71HG13 1.00
I71HG21 0.99
I71HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 0.97 0.035 0.50 0.00
ILE71 HB 1.00 0.006 1.00 0.93
ILE71 HG12 1.00 0.120 0.00 0.00
ILE71 HG13 1.00 0.110 0.00 0.00
ILE71 HG21 0.99 0.004 1.00 2.00
ILE71 HD11 1.00 0.004 1.00 28.01
ILE71 H 0.94 0.011 1.00 0.31

Detailed Probabilities of ILE(71)-N:

Overall probability: 0.868
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU70 0.72 1.00
ILE71 1.00 1.00
SER72 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L70HB2 1.00
L70H 1.00
L70HB3 1.00
L70HA 1.00
L70HG 0.99
I71HA 1.00
I71HB 1.00
I71HG12 1.00
I71HG13 1.00
I71HG21 1.00
I71H 1.00
S72H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU70 HA 1.00 0.002 1.00 -195698.00
LEU70 HB2 1.00 0.040 0.00 0.00
LEU70 HB3 1.00 0.004 1.00 -295135.00
LEU70 HG 0.99 0.054 0.01 0.00
LEU70 H 1.00 0.010 1.00 -668664.00
LEU70 HD11 0.53 0.006 1.00 -197180.00
LEU70 HD21 0.63 0.009 1.00 -197180.00
ILE71 HA 1.00 0.015 1.00 -525321.00
ILE71 HB 1.00 0.006 1.00 -820664.00
ILE71 HG12 1.00 0.011 1.00 -575538.00
ILE71 HG13 1.00 0.004 1.00 -398103.00
ILE71 HG21 1.00 0.001 1.00 -484428.00
ILE71 H 1.00 0.008 1.00 -3508449.00
ILE71 HD11 0.94 0.011 1.00 -346274.00
SER72 H 1.00 0.002 1.00 -442658.00

Detailed Probabilities of ILE(71)-HA:

Overall probability: 0.885
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU70 1.00 1.00
ILE71 0.93 1.00
SER72 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
L70HA 1.00
I71HB 1.00
I71HG12 1.00
I71HG13 1.00
I71HG21 1.00
I71HD11 0.97
I71H 1.00
I71HA 1.00
S72HA 1.00
S72H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU70 HA 1.00 0.002 1.00 0.07
LEU70 HB3 0.92 0.015 1.00 0.06
LEU70 H 0.93 0.029 1.00 -167917.00
ILE71 HA 1.00 0.006 1.00 4.18
ILE71 HB 1.00 0.024 1.00 0.55
ILE71 HG12 1.00 0.024 1.00 0.25
ILE71 HG13 1.00 0.021 1.00 0.29
ILE71 HG21 1.00 0.014 1.00 1.00
ILE71 HD11 0.97 0.035 0.50 0.00
ILE71 H 1.00 0.015 1.00 -525321.00
SER72 HA 1.00 0.137 0.00 0.00
SER72 H 1.00 0.016 1.00 -332628.00
SER72 HB2 0.54 0.028 1.00 0.09

Detailed Probabilities of ILE(71)-HB:

Overall probability: 0.750
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.71 1.00
SER72 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 1.00
I71HG12 1.00
I71HG13 1.00
I71HG21 1.00
I71HD11 1.00
I71H 1.00
I71HB 1.00
S72H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 1.00 0.002 1.00 0.50
ILE71 HB 1.00 0.016 1.00 3.48
ILE71 HG12 1.00 0.212 0.00 0.00
ILE71 HG13 1.00 0.008 1.00 0.24
ILE71 HG21 1.00 0.064 0.00 0.00
ILE71 HD11 1.00 0.006 1.00 0.93
ILE71 H 1.00 0.006 1.00 -820664.00
SER72 H 1.00 0.002 1.00 -480652.00

Detailed Probabilities of ILE(71)-HG12:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.86 1.00
SER72 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 1.00
I71HB 1.00
I71HG13 1.00
I71HG21 1.00
I71HD11 1.00
I71H 1.00
I71HG12 1.00
S72H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 1.00 0.014 1.00 0.56
ILE71 HB 1.00 0.022 1.00 0.55
ILE71 HG12 1.00 0.009 1.00 244.35
ILE71 HG13 1.00 0.014 1.00 0.79
ILE71 HG21 1.00 0.016 1.00 0.57
ILE71 HD11 1.00 0.120 0.00 0.00
ILE71 H 1.00 0.011 1.00 -575538.00
SER72 H 0.98 0.011 1.00 -252379.00

Detailed Probabilities of ILE(71)-HG13:

Overall probability: 0.625
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.57 1.00
SER72 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 1.00
I71HB 1.00
I71HG12 1.00
I71HG21 1.00
I71HD11 1.00
I71H 1.00
I71HG13 1.00
S72H 0.95


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 1.00 0.001 1.00 0.28
ILE71 HB 1.00 0.002 1.00 0.27
ILE71 HG12 1.00 0.002 1.00 0.75
ILE71 HG13 1.00 0.201 0.00 0.00
ILE71 HG21 1.00 0.495 0.00 0.00
ILE71 HD11 1.00 0.110 0.00 0.00
ILE71 H 1.00 0.004 1.00 -398103.00
SER72 H 0.95 0.003 1.00 -135564.00

Detailed Probabilities of ILE(71)-HG21:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.86 1.00
SER72 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 1.00
I71HB 1.00
I71HG12 1.00
I71HG13 1.00
I71HG22 1.00
I71HD11 0.99
I71H 1.00
S72H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 1.00 0.004 1.00 1.44
ILE71 HB 1.00 0.022 1.00 1.61
ILE71 HG12 1.00 0.005 1.00 0.62
ILE71 HG13 1.00 0.004 1.00 0.30
ILE71 HG21 1.00 0.290 0.00 0.00
ILE71 HD11 0.99 0.004 1.00 2.00
ILE71 H 1.00 0.001 1.00 -484428.00
SER72 H 0.98 0.001 1.00 -381463.00
SER72 HA 0.58 0.000 1.00 0.17

Detailed Probabilities of ILE(71)-HD11:

Overall probability: 0.715
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE71 0.72 1.00

Expected NOESY Contacts
Proton Expected probability
I71HA 0.97
I71HB 1.00
I71HG12 1.00
I71HG13 1.00
I71HG21 0.99
I71HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE71 HA 0.97 0.002 1.00 0.26
ILE71 HB 1.00 0.003 1.00 0.79
ILE71 HG12 1.00 0.008 1.00 0.74
ILE71 HG13 1.00 0.167 0.00 0.00
ILE71 HG21 0.99 0.127 0.01 0.00
ILE71 HD11 1.00 0.004 1.00 28.01
ILE71 H 0.94 0.011 1.00 -346274.00

Detailed Probabilities of ILE(71)-H:

Overall probability: 0.933
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU70 1.00 1.00
ILE71 0.86 1.00
SER72 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L70HB2 1.00
L70H 1.00
L70HB3 1.00
L70HA 1.00
L70HG 0.99
I71HA 1.00
I71HB 1.00
I71HG12 1.00
I71HG13 1.00
I71HG21 1.00
I71H 1.00
S72H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU70 HA 1.00 0.006 1.00 0.20
LEU70 HB2 1.00 0.008 1.00 0.24
LEU70 HB3 1.00 0.010 1.00 0.21
LEU70 HG 0.99 0.006 1.00 0.08
LEU70 H 1.00 0.008 1.00 -823522.00
LEU70 HD11 0.53 0.008 1.00 0.33
LEU70 HD21 0.63 0.001 1.00 0.10
ILE71 HA 1.00 0.011 1.00 0.32
ILE71 HB 1.00 0.011 1.00 0.50
ILE71 HG12 1.00 0.006 1.00 0.26
ILE71 HG13 1.00 0.008 1.00 0.24
ILE71 HG21 1.00 0.049 0.00 0.00
ILE71 H 1.00 0.008 1.00 -3508449.00
ILE71 HD11 0.94 0.011 1.00 0.31
SER72 H 1.00 0.007 1.00 -710434.00