ARECA's report on PHE93

Residue probability: 0.771
Residue probability confidence: 1.000

Chemical Shift Distributions and Assignment Probabilities
Atom Assigned CS DB avg. DB std Overall probability Overall confidence
C 176.894 175.508 2.010 0.000 0.000
CA 60.445 58.245 3.808 0.877 1.000
CB 38.987 40.078 3.616 1.000 1.000
CD1 131.517 131.234 9.579 0.778 1.000
CD2 131.641 131.352 9.581 0.779 1.000
CE1 130.552 130.599 3.219 0.800 1.000
CE2 130.600 130.633 2.839 0.572 1.000
CZ 129.169 129.042 3.448 0.200 1.000
N 120.118 120.315 4.931 1.000 1.000
HA 4.340 4.625 1.237 0.800 1.000
HB2 3.295 2.980 0.399 0.875 1.000
HB3 3.036 2.916 0.434 0.875 1.000
HD1 7.221 7.037 0.347 0.889 1.000
HD2 7.221 7.022 0.417 0.889 1.000
HE1 7.136 7.046 0.417 0.875 1.000
HE2 7.136 7.043 0.400 0.857 1.000
HZ 7.083 6.984 1.598 0.200 1.000
H 8.103 8.375 0.710 0.847 1.000

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Detailed Probabilities of PHE(93)-CA:

Overall probability: 0.877
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU92 0.80 1.00
PHE93 1.00 1.00
LYS94 0.67 1.00

Expected NOESY Contacts
Proton Expected probability
E92HA 1.00
F93HB2 1.00
F93HB3 1.00
F93HD1 1.00
F93HD2 1.00
F93H 1.00
F93HA 1.00
K94HA 1.00
K94H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU92 HA 1.00 0.036 0.40 0.00
GLU92 HB2 0.71 0.002 1.00 0.02
GLU92 H 0.93 0.011 1.00 0.24
PHE93 HA 1.00 0.000 1.00 3.08
PHE93 HB2 1.00 0.000 1.00 0.11
PHE93 HB3 1.00 0.000 1.00 0.08
PHE93 HD1 1.00 0.003 1.00 0.11
PHE93 HD2 1.00 0.003 1.00 0.11
PHE93 H 1.00 0.000 1.00 0.23
PHE93 HE1 0.74 0.015 1.00 0.01
LYS94 HA 1.00 0.322 0.00 0.00
LYS94 H 1.00 0.000 1.00 0.01
LYS94 HB2 0.51 0.015 1.00 0.02

Detailed Probabilities of PHE(93)-CB:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE93 1.00 1.00
LYS94 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F93HA 1.00
F93HB3 1.00
F93HD1 1.00
F93HD2 1.00
F93HE2 1.00
F93H 1.00
F93HB2 1.00
K94H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE93 HA 1.00 0.000 1.00 0.08
PHE93 HB2 1.00 0.000 1.00 0.34
PHE93 HB3 1.00 0.000 1.00 0.27
PHE93 HD1 1.00 0.003 1.00 0.06
PHE93 HD2 1.00 0.003 1.00 0.06
PHE93 HE2 1.00 0.018 1.00 0.01
PHE93 H 1.00 0.000 1.00 0.12
PHE93 HE1 0.90 0.018 1.00 0.01
LYS94 H 1.00 0.000 1.00 0.03

Detailed Probabilities of PHE(93)-CD1:

Overall probability: 0.778
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE93 0.78 1.00

Expected NOESY Contacts
Proton Expected probability
F93HA 1.00
F93HB2 1.00
F93HB3 1.00
F93HD2 1.00
F93HE1 1.00
F93HE2 1.00
F93HZ 1.00
F93H 1.00
F93HD1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE93 HA 1.00 0.000 1.00 0.02
PHE93 HB2 1.00 0.000 1.00 0.01
PHE93 HB3 1.00 0.000 1.00 0.02
PHE93 HD1 1.00 0.003 1.00 0.62
PHE93 HD2 1.00 0.003 1.00 0.62
PHE93 HE1 1.00 0.000 1.00 0.16
PHE93 HE2 1.00 0.000 1.00 0.16
PHE93 HZ 1.00 0.053 0.00 0.00
PHE93 H 1.00 0.878 0.00 0.00

Detailed Probabilities of PHE(93)-CD2:

Overall probability: 0.779
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE93 0.78 1.00

Expected NOESY Contacts
Proton Expected probability
F93HA 1.00
F93HB2 1.00
F93HB3 1.00
F93HD1 1.00
F93HE1 1.00
F93HE2 1.00
F93HZ 1.00
F93H 0.99
F93HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE93 HA 1.00 0.000 1.00 0.02
PHE93 HB2 1.00 0.000 1.00 0.01
PHE93 HB3 1.00 0.000 1.00 0.02
PHE93 HD1 1.00 0.003 1.00 0.62
PHE93 HD2 1.00 0.003 1.00 0.62
PHE93 HE1 1.00 0.000 1.00 0.16
PHE93 HE2 1.00 0.000 1.00 0.16
PHE93 HZ 1.00 0.053 0.00 0.00
PHE93 H 0.99 0.878 0.01 0.00

Detailed Probabilities of PHE(93)-CE1:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE93 0.80 1.00

Expected NOESY Contacts
Proton Expected probability
F93HD1 1.00
F93HD2 1.00
F93HE2 1.00
F93HZ 1.00
F93HE1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE93 HD1 1.00 0.003 1.00 0.16
PHE93 HD2 1.00 0.003 1.00 0.16
PHE93 HE1 1.00 0.000 1.00 0.87
PHE93 HE2 1.00 0.000 1.00 0.87
PHE93 HZ 1.00 0.053 0.00 0.00

Detailed Probabilities of PHE(93)-CE2:

Overall probability: 0.572
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE93 0.57 1.00

Expected NOESY Contacts
Proton Expected probability
F93HB2 1.00
F93HB3 1.00
F93HD1 1.00
F93HD2 1.00
F93HE1 1.00
F93HZ 1.00
F93HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE93 HB2 1.00 1.359 0.00 0.00
PHE93 HB3 1.00 1.100 0.00 0.00
PHE93 HD1 1.00 0.003 1.00 0.16
PHE93 HD2 1.00 0.003 1.00 0.16
PHE93 HE1 1.00 0.000 1.00 0.87
PHE93 HE2 1.00 0.000 1.00 0.87
PHE93 HZ 1.00 0.053 0.00 0.00

Detailed Probabilities of PHE(93)-CZ:

Overall probability: 0.200
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE93 0.20 1.00

Expected NOESY Contacts
Proton Expected probability
F93HD1 1.00
F93HD2 1.00
F93HE1 1.00
F93HE2 1.00
F93HZ 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE93 HD1 1.00 0.138 0.00 0.00
PHE93 HD2 1.00 0.138 0.00 0.00
PHE93 HE1 1.00 0.053 0.00 0.00
PHE93 HE2 1.00 0.053 0.00 0.00
PHE93 HZ 1.00 0.000 1.00 0.83

Detailed Probabilities of PHE(93)-N:

Overall probability: 1.000
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU92 1.00 1.00
PHE93 1.00 1.00
LYS94 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E92HB3 1.00
E92HG3 0.98
E92HG2 0.99
E92HA 1.00
E92H 1.00
E92HB2 1.00
F93HA 1.00
F93HB2 1.00
F93HB3 1.00
F93HD1 1.00
F93HD2 0.99
F93H 1.00
K94H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU92 HA 1.00 0.000 1.00 -2504.00
GLU92 HB2 1.00 0.000 1.00 -14040.00
GLU92 HB3 1.00 0.000 1.00 -10230.00
GLU92 HG2 0.99 0.000 1.00 -1371.00
GLU92 HG3 0.98 0.000 1.00 -1124.00
GLU92 H 1.00 0.000 1.00 -60850.00
PHE93 HA 1.00 0.000 1.00 -5485.00
PHE93 HB2 1.00 0.000 1.00 -10910.00
PHE93 HB3 1.00 0.000 1.00 -7828.00
PHE93 HD1 1.00 0.003 1.00 -1729.00
PHE93 HD2 0.99 0.003 1.00 -1729.00
PHE93 H 1.00 0.000 1.00 -126000.00
LYS94 H 1.00 0.000 1.00 -6393.00
LYS94 HB2 0.51 0.013 1.00 -10330.00

Detailed Probabilities of PHE(93)-HA:

Overall probability: 0.800
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU92 0.50 1.00
PHE93 1.00 1.00
LYS94 0.50 1.00

Expected NOESY Contacts
Proton Expected probability
E92HA 1.00
F93HB2 1.00
F93HB3 1.00
F93HD1 1.00
F93HD2 1.00
F93H 1.00
F93HA 1.00
K94HA 1.00
K94H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU92 HA 1.00 0.308 0.00 0.00
GLU92 HB2 0.71 0.006 1.00 0.35
PHE93 HA 1.00 0.000 1.00 3.08
PHE93 HB2 1.00 0.000 1.00 0.08
PHE93 HB3 1.00 0.000 1.00 0.07
PHE93 HD1 1.00 0.000 1.00 0.02
PHE93 HD2 1.00 0.000 1.00 0.02
PHE93 H 1.00 0.000 1.00 -5485.00
LYS94 HA 1.00 0.723 0.00 0.00
LYS94 H 1.00 0.000 1.00 -427.00

Detailed Probabilities of PHE(93)-HB2:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE93 0.86 1.00
LYS94 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F93HA 1.00
F93HB3 1.00
F93HD1 1.00
F93HD2 1.00
F93HE2 1.00
F93H 1.00
F93HB2 1.00
K94H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE93 HA 1.00 0.000 1.00 0.11
PHE93 HB2 1.00 0.000 1.00 0.34
PHE93 HB3 1.00 0.000 1.00 0.25
PHE93 HD1 1.00 0.000 1.00 0.01
PHE93 HD2 1.00 0.000 1.00 0.01
PHE93 HE2 1.00 1.359 0.00 0.00
PHE93 H 1.00 0.000 1.00 -10910.00
LYS94 H 1.00 0.000 1.00 -2259.00

Detailed Probabilities of PHE(93)-HB3:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE93 0.86 1.00
LYS94 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
F93HA 1.00
F93HB2 1.00
F93HD1 1.00
F93HD2 1.00
F93HE2 1.00
F93H 1.00
F93HB3 1.00
K94H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE93 HA 1.00 0.000 1.00 0.08
PHE93 HB2 1.00 0.000 1.00 0.27
PHE93 HB3 1.00 0.000 1.00 0.51
PHE93 HD1 1.00 0.000 1.00 0.02
PHE93 HD2 1.00 0.000 1.00 0.02
PHE93 HE2 1.00 1.100 0.00 0.00
PHE93 H 1.00 0.000 1.00 -7828.00
LYS94 H 1.00 0.000 1.00 -3732.00

Detailed Probabilities of PHE(93)-HD1:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE93 0.89 1.00

Expected NOESY Contacts
Proton Expected probability
F93HA 1.00
F93HB2 1.00
F93HB3 1.00
F93HD2 1.00
F93HE1 1.00
F93HE2 1.00
F93HZ 1.00
F93H 1.00
F93HD1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE93 HA 1.00 0.003 1.00 0.11
PHE93 HB2 1.00 0.003 1.00 0.06
PHE93 HB3 1.00 0.003 1.00 0.05
PHE93 HD1 1.00 0.003 1.00 0.62
PHE93 HD2 1.00 0.003 1.00 0.62
PHE93 HE1 1.00 0.003 1.00 0.16
PHE93 HE2 1.00 0.003 1.00 0.16
PHE93 HZ 1.00 0.138 0.00 0.00
PHE93 H 1.00 0.003 1.00 -1729.00

Detailed Probabilities of PHE(93)-HD2:

Overall probability: 0.889
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE93 0.89 1.00

Expected NOESY Contacts
Proton Expected probability
F93HA 1.00
F93HB2 1.00
F93HB3 1.00
F93HD1 1.00
F93HE1 1.00
F93HE2 1.00
F93HZ 1.00
F93H 0.99
F93HD2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE93 HA 1.00 0.003 1.00 0.11
PHE93 HB2 1.00 0.003 1.00 0.06
PHE93 HB3 1.00 0.003 1.00 0.05
PHE93 HD1 1.00 0.003 1.00 0.62
PHE93 HD2 1.00 0.003 1.00 0.62
PHE93 HE1 1.00 0.003 1.00 0.16
PHE93 HE2 1.00 0.003 1.00 0.16
PHE93 HZ 1.00 0.138 0.00 0.00
PHE93 H 0.99 0.003 1.00 -1729.00

Detailed Probabilities of PHE(93)-HE1:

Overall probability: 0.875
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE93 0.88 1.00

Expected NOESY Contacts
Proton Expected probability
F93HD1 1.00
F93HD2 1.00
F93HE2 1.00
F93HZ 1.00
F93HE1 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE93 HD1 1.00 0.000 1.00 0.16
PHE93 HD2 1.00 0.000 1.00 0.16
PHE93 HE1 1.00 0.000 1.00 0.87
PHE93 HE2 1.00 0.000 1.00 0.87
PHE93 HZ 1.00 0.053 0.00 0.00
PHE93 HA 0.74 0.015 1.00 0.01
PHE93 HB2 0.90 0.018 1.00 0.01
PHE93 HB3 0.89 0.012 1.00 0.07

Detailed Probabilities of PHE(93)-HE2:

Overall probability: 0.857
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE93 0.86 1.00

Expected NOESY Contacts
Proton Expected probability
F93HB2 1.00
F93HB3 1.00
F93HD1 1.00
F93HD2 1.00
F93HE1 1.00
F93HZ 1.00
F93HE2 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE93 HB2 1.00 0.018 1.00 0.01
PHE93 HB3 1.00 0.012 1.00 0.07
PHE93 HD1 1.00 0.000 1.00 0.16
PHE93 HD2 1.00 0.000 1.00 0.16
PHE93 HE1 1.00 0.000 1.00 0.87
PHE93 HE2 1.00 0.000 1.00 0.87
PHE93 HZ 1.00 0.053 0.00 0.00

Detailed Probabilities of PHE(93)-HZ:

Overall probability: 0.200
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
PHE93 0.20 1.00

Expected NOESY Contacts
Proton Expected probability
F93HD1 1.00
F93HD2 1.00
F93HE1 1.00
F93HE2 1.00
F93HZ 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
PHE93 HD1 1.00 0.053 0.00 0.00
PHE93 HD2 1.00 0.053 0.00 0.00
PHE93 HE1 1.00 0.053 0.00 0.00
PHE93 HE2 1.00 0.053 0.00 0.00
PHE93 HZ 1.00 0.000 1.00 0.83

Detailed Probabilities of PHE(93)-H:

Overall probability: 0.847
Overall confidence: 1.000

Calculated probabilities for inter- and intra-residue contacts
Residue Probability Confidence
GLU92 1.00 1.00
PHE93 0.67 1.00
LYS94 1.00 1.00

Expected NOESY Contacts
Proton Expected probability
E92HB3 1.00
E92HG3 0.98
E92HG2 0.99
E92HA 1.00
E92H 1.00
E92HB2 1.00
F93HA 1.00
F93HB2 1.00
F93HB3 1.00
F93HD1 1.00
F93HD2 0.99
F93H 1.00
K94H 1.00


NOESY contacts detailed probability
Residue Proton Expected probability Min PPM differences Probability Peak intensity ratio
GLU92 HA 1.00 0.000 1.00 0.11
GLU92 HB2 1.00 0.000 1.00 0.24
GLU92 HB3 1.00 0.000 1.00 0.27
GLU92 HG2 0.99 0.000 1.00 0.12
GLU92 HG3 0.98 0.000 1.00 0.12
GLU92 H 1.00 0.000 1.00 -55420.00
PHE93 HA 1.00 0.000 1.00 0.23
PHE93 HB2 1.00 0.000 1.00 0.12
PHE93 HB3 1.00 0.000 1.00 0.09
PHE93 HD1 1.00 0.878 0.00 0.00
PHE93 HD2 0.99 0.878 0.01 0.00
PHE93 H 1.00 0.000 1.00 -126000.00
LYS94 H 1.00 0.000 1.00 -6714.00