ARECA's report on ILE15

Residue probability: 0.962
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 177.138 175.926 2.710 0.000 0.000
CA 66.590 61.717 4.152 0.833 1.000
CB 37.424 38.702 3.945 1.000 1.000
CG1 30.331 27.785 2.037 1.000 1.000
CG2 17.078 17.574 1.928 1.000 1.000
CD1 13.066 13.545 3.646 1.000 1.000
N 119.483 121.467 6.098 1.000 1.000
HA 3.219 4.185 1.403 0.800 1.000
HB 1.915 1.776 0.310 1.000 1.000
HG12 1.726 1.271 0.411 1.000 1.000
HG13 0.636 1.186 0.426 1.000 1.000
HG2 0.847 0.762 0.283 1.000 1.000
HD1 0.764 0.668 0.293 1.000 1.000
H 8.238 8.301 0.685 0.868 1.000

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Detailed Probabilities of ILE(15)-CA:

Overall probability: 0.833
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU14 0.67 1.00
ILE15 1.00 1.00
LYS16 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
L14HA 1.00
I15HB 1.00
I15HG12 1.00
I15HG13 1.00
I15HG21 1.00
I15HD11 0.97
I15H 1.00
I15HA 1.00
K16H 1.00
K16HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU14 HA 1.00 0.766 0.00 0.00
LEU14 HB2 0.60 0.002 1.00 0.11
LEU14 H 0.93 0.027 1.00 0.03
ILE15 HA 1.00 0.000 1.00 0.78
ILE15 HB 1.00 0.000 1.00 0.05
ILE15 HG12 1.00 0.000 1.00 0.07
ILE15 HG13 1.00 0.000 1.00 0.14
ILE15 HG21 1.00 0.000 1.00 0.20
ILE15 HD11 0.97 0.000 1.00 0.14
ILE15 H 1.00 0.000 1.00 0.07
LYS16 HA 1.00 0.624 0.00 0.00
LYS16 H 1.00 0.000 1.00 0.03

Detailed Probabilities of ILE(15)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE15 1.00 1.00
LYS16 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I15HA 1.00
I15HG12 1.00
I15HG13 1.00
I15HG21 1.00
I15HD11 1.00
I15H 1.00
I15HB 1.00
K16H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE15 HA 1.00 0.000 1.00 0.03
ILE15 HB 1.00 0.000 1.00 0.63
ILE15 HG12 1.00 0.000 1.00 0.07
ILE15 HG13 1.00 0.000 1.00 0.13
ILE15 HG21 1.00 0.000 1.00 0.29
ILE15 HD11 1.00 0.000 1.00 0.15
ILE15 H 1.00 0.000 1.00 0.09
LYS16 H 1.00 0.000 1.00 0.07

Detailed Probabilities of ILE(15)-CG1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE15 1.00 1.00
LYS16 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I15HA 1.00
I15HB 1.00
I15HG13 1.00
I15HG21 1.00
I15HD11 1.00
I15H 1.00
I15HG12 1.00
K16H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE15 HA 1.00 0.000 1.00 0.03
ILE15 HB 1.00 0.000 1.00 0.04
ILE15 HG12 1.00 0.000 1.00 0.16
ILE15 HG13 1.00 0.000 1.00 0.12
ILE15 HG21 1.00 0.000 1.00 0.10
ILE15 HD11 1.00 0.000 1.00 0.13
ILE15 H 1.00 0.000 1.00 0.06
LYS16 H 0.98 0.000 1.00 0.01

Detailed Probabilities of ILE(15)-CG2:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE15 1.00 1.00
LYS16 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I15HA 1.00
I15HB 1.00
I15HG12 1.00
I15HG13 1.00
I15HG22 1.00
I15HD11 0.99
I15H 1.00
K16H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE15 HA 1.00 0.000 1.00 0.14
ILE15 HB 1.00 0.000 1.00 0.25
ILE15 HG12 1.00 0.000 1.00 0.08
ILE15 HG13 1.00 0.000 1.00 0.51
ILE15 HG21 1.00 0.000 1.00 9.86
ILE15 HD11 0.99 0.000 1.00 0.78
ILE15 H 1.00 0.000 1.00 0.05
LYS16 H 0.98 0.000 1.00 0.06
LYS16 HA 0.65 0.022 1.00 0.03

Detailed Probabilities of ILE(15)-CD1:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE15 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I15HA 0.97
I15HB 1.00
I15HG12 1.00
I15HG13 1.00
I15HG21 0.99
I15HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE15 HA 0.97 0.000 1.00 0.06
ILE15 HB 1.00 0.000 1.00 0.15
ILE15 HG12 1.00 0.000 1.00 0.19
ILE15 HG13 1.00 0.000 1.00 0.38
ILE15 HG21 0.99 0.000 1.00 0.70
ILE15 HD11 1.00 0.000 1.00 4.73
ILE15 H 0.94 0.000 1.00 0.08

Detailed Probabilities of ILE(15)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU14 1.00 1.00
ILE15 1.00 1.00
LYS16 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L14HB2 1.00
L14H 1.00
L14HB3 1.00
L14HA 1.00
L14HG 0.99
I15HA 1.00
I15HB 1.00
I15HG12 1.00
I15HG13 1.00
I15HG21 1.00
I15H 1.00
K16H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU14 HA 1.00 0.000 1.00 -1156.00
LEU14 HB2 1.00 0.000 1.00 -3073.00
LEU14 HB3 1.00 0.000 1.00 -3726.00
LEU14 HG 0.99 0.000 1.00 -1326.00
LEU14 H 1.00 0.000 1.00 -9413.00
LEU14 HD11 0.53 0.000 1.00 -8657.00
LEU14 HD21 0.63 0.000 1.00 -6851.00
ILE15 HA 1.00 0.000 1.00 -3544.00
ILE15 HB 1.00 0.000 1.00 -7612.00
ILE15 HG12 1.00 0.000 1.00 -4931.00
ILE15 HG13 1.00 0.000 1.00 -3743.00
ILE15 HG21 1.00 0.000 1.00 -6377.00
ILE15 H 1.00 0.000 1.00 -43010.00
ILE15 HD11 0.94 0.000 1.00 -6851.00
LYS16 H 1.00 0.000 1.00 -6490.00

Detailed Probabilities of ILE(15)-HA:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU14 0.00 1.00
ILE15 1.00 1.00
LYS16 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
L14HA 1.00
I15HB 1.00
I15HG12 1.00
I15HG13 1.00
I15HG21 1.00
I15HD11 0.97
I15H 1.00
I15HA 1.00
K16H 1.00
K16HA 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU14 HA 1.00 0.365 0.00 0.00
ILE15 HA 1.00 0.000 1.00 0.78
ILE15 HB 1.00 0.000 1.00 0.03
ILE15 HG12 1.00 0.000 1.00 0.03
ILE15 HG13 1.00 0.000 1.00 0.03
ILE15 HG21 1.00 0.000 1.00 0.14
ILE15 HD11 0.97 0.000 1.00 0.06
ILE15 H 1.00 0.000 1.00 -3544.00
LYS16 HA 1.00 0.238 0.00 0.00
LYS16 H 1.00 0.000 1.00 -609.00

Detailed Probabilities of ILE(15)-HB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE15 1.00 1.00
LYS16 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I15HA 1.00
I15HG12 1.00
I15HG13 1.00
I15HG21 1.00
I15HD11 1.00
I15H 1.00
I15HB 1.00
K16H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE15 HA 1.00 0.000 1.00 0.05
ILE15 HB 1.00 0.000 1.00 0.63
ILE15 HG12 1.00 0.000 1.00 0.04
ILE15 HG13 1.00 0.000 1.00 0.02
ILE15 HG21 1.00 0.000 1.00 0.25
ILE15 HD11 1.00 0.000 1.00 0.15
ILE15 H 1.00 0.000 1.00 -7612.00
LYS16 H 1.00 0.000 1.00 -20970.00
LYS16 HA 0.88 0.019 1.00 0.49

Detailed Probabilities of ILE(15)-HG12:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE15 1.00 1.00
LYS16 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I15HA 1.00
I15HB 1.00
I15HG13 1.00
I15HG21 1.00
I15HD11 1.00
I15H 1.00
I15HG12 1.00
K16H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE15 HA 1.00 0.000 1.00 0.07
ILE15 HB 1.00 0.000 1.00 0.07
ILE15 HG12 1.00 0.000 1.00 0.16
ILE15 HG13 1.00 0.000 1.00 0.08
ILE15 HG21 1.00 0.000 1.00 0.08
ILE15 HD11 1.00 0.000 1.00 0.19
ILE15 H 1.00 0.000 1.00 -4931.00
LYS16 H 0.98 0.000 1.00 -6241.00

Detailed Probabilities of ILE(15)-HG13:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE15 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I15HA 1.00
I15HB 1.00
I15HG12 1.00
I15HG21 1.00
I15HD11 1.00
I15H 1.00
I15HG13 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE15 HA 1.00 0.000 1.00 0.14
ILE15 HB 1.00 0.000 1.00 0.13
ILE15 HG12 1.00 0.000 1.00 0.12
ILE15 HG13 1.00 0.000 1.00 0.13
ILE15 HG21 1.00 0.000 1.00 0.51
ILE15 HD11 1.00 0.000 1.00 0.38
ILE15 H 1.00 0.000 1.00 -3743.00

Detailed Probabilities of ILE(15)-HG21:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE15 1.00 1.00
LYS16 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I15HA 1.00
I15HB 1.00
I15HG12 1.00
I15HG13 1.00
I15HG22 1.00
I15HD11 0.99
I15H 1.00
K16H 0.98


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE15 HA 1.00 0.000 1.00 0.20
ILE15 HB 1.00 0.000 1.00 0.29
ILE15 HG12 1.00 0.000 1.00 0.10
ILE15 HG13 1.00 0.000 1.00 0.11
ILE15 HG21 1.00 0.000 1.00 9.86
ILE15 HD11 0.99 0.000 1.00 0.70
ILE15 H 1.00 0.000 1.00 -6377.00
LYS16 H 0.98 0.000 1.00 -12980.00

Detailed Probabilities of ILE(15)-HD11:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
ILE15 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
I15HA 0.97
I15HB 1.00
I15HG12 1.00
I15HG13 1.00
I15HG21 0.99
I15HD12 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
ILE15 HA 0.97 0.000 1.00 0.14
ILE15 HB 1.00 0.000 1.00 0.15
ILE15 HG12 1.00 0.000 1.00 0.13
ILE15 HG13 1.00 0.000 1.00 0.15
ILE15 HG21 0.99 0.000 1.00 0.78
ILE15 HD11 1.00 0.000 1.00 4.73
ILE15 H 0.94 0.000 1.00 -6851.00

Detailed Probabilities of ILE(15)-H:

Overall probability: 0.868
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
LEU14 0.72 1.00
ILE15 1.00 1.00
LYS16 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
L14HB2 1.00
L14H 1.00
L14HB3 1.00
L14HA 1.00
L14HG 0.99
I15HA 1.00
I15HB 1.00
I15HG12 1.00
I15HG13 1.00
I15HG21 1.00
I15H 1.00
K16H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
LEU14 HA 1.00 0.040 0.00 0.00
LEU14 HB2 1.00 0.000 1.00 0.01
LEU14 HB3 1.00 0.000 1.00 0.01
LEU14 HG 0.99 0.661 0.01 0.00
LEU14 H 1.00 0.000 1.00 -6976.00
LEU14 HD11 0.53 0.000 1.00 0.04
LEU14 HD21 0.63 0.000 1.00 0.02
ILE15 HA 1.00 0.000 1.00 0.07
ILE15 HB 1.00 0.000 1.00 0.09
ILE15 HG12 1.00 0.000 1.00 0.06
ILE15 HG13 1.00 0.000 1.00 0.02
ILE15 HG21 1.00 0.000 1.00 0.05
ILE15 H 1.00 0.000 1.00 -43010.00
ILE15 HD11 0.94 0.000 1.00 0.08
LYS16 H 1.00 0.000 1.00 -4010.00