data_18956
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
STRUCTURE OF NAB2P TANDEM ZINC FINGER 34
;
_BMRB_accession_number 18956
_BMRB_flat_file_name bmr18956.str
_Entry_type original
_Submission_date 2013-01-16
_Accession_date 2013-01-16
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Martinez-lubreras S. . .
2 Santiveri C. M. .
3 Mirassou Y. . .
4 Zorrilla S. . .
5 Perez-Canadillas 'Jose Manuel' . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 418
"13C chemical shifts" 301
"15N chemical shifts" 72
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2013-12-11 update BMRB 'update entry citation'
2013-08-29 original author 'original release'
stop_
loop_
_Related_BMRB_accession_number
_Relationship
18955 'Structure of NAB2P tandem Zinc finger 12'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Two singular types of CCCH tandem zinc finger in Nab2p contribute to polyadenosine RNA recognition.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 23994011
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Martinez-Lumbreras Santiago . .
2 Santiveri Clara M. .
3 Mirassou Yasmina . .
4 Zorrilla Silvia . .
5 Perez-Canadillas 'Jose Manuel' . .
stop_
_Journal_abbreviation Structure
_Journal_name_full 'Structure (London, England : 1993)'
_Journal_volume 21
_Journal_issue 10
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 1800
_Page_last 1811
_Year 2013
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'STRUCTURE OF NAB2P TANDEM ZINC FINGER 34'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'NUCLEAR POLYADENYLATED RNA-BINDING PROTEIN NAB2' $NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2
'ZINC ION, 1' $entity_ZN
'ZINC ION, 2' $entity_ZN
stop_
_System_molecular_weight 7814.6046
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state 'all disulfide bound'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2
_Molecular_mass 7683.8446
_Mol_thiol_state 'all disulfide bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 71
_Mol_residue_sequence
;
GSVQTGIVLCKFGALCSNPS
CPFGHPTPANEDAKVIDLMW
CDKNLTCDNPECRKAHSSLS
KIKEVKPISQK
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 VAL 4 GLN 5 THR
6 GLY 7 ILE 8 VAL 9 LEU 10 CYS
11 LYS 12 PHE 13 GLY 14 ALA 15 LEU
16 CYS 17 SER 18 ASN 19 PRO 20 SER
21 CYS 22 PRO 23 PHE 24 GLY 25 HIS
26 PRO 27 THR 28 PRO 29 ALA 30 ASN
31 GLU 32 ASP 33 ALA 34 LYS 35 VAL
36 ILE 37 ASP 38 LEU 39 MET 40 TRP
41 CYS 42 ASP 43 LYS 44 ASN 45 LEU
46 THR 47 CYS 48 ASP 49 ASN 50 PRO
51 GLU 52 CYS 53 ARG 54 LYS 55 ALA
56 HIS 57 SER 58 SER 59 LEU 60 SER
61 LYS 62 ILE 63 LYS 64 GLU 65 VAL
66 LYS 67 PRO 68 ILE 69 SER 70 GLN
71 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-10-14
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 3ZJ2 "Structure Of Nab2p Tandem Zinc Finger 34" 98.59 71 100.00 100.00 7.54e-43
DBJ GAA23273 "K7_Nab2p [Saccharomyces cerevisiae Kyokai no. 7]" 97.18 504 100.00 100.00 4.21e-40
EMBL CAA96830 "NAB2 [Saccharomyces cerevisiae]" 97.18 525 100.00 100.00 3.58e-40
EMBL CAY79645 "Nab2p [Saccharomyces cerevisiae EC1118]" 97.18 497 100.00 100.00 4.93e-40
GB AAA34819 "RNA-binding protein [Saccharomyces cerevisiae]" 97.18 525 100.00 100.00 3.58e-40
GB AAA34820 "RNA-binding protein [Saccharomyces cerevisiae]" 97.18 497 100.00 100.00 4.93e-40
GB AAU09727 "YGL122C [Saccharomyces cerevisiae]" 97.18 525 100.00 100.00 3.58e-40
GB AHY79261 "Nab2p [Saccharomyces cerevisiae YJM993]" 97.18 497 100.00 100.00 4.93e-40
GB AJP38679 "Nab2p [Saccharomyces cerevisiae YJM1078]" 97.18 497 100.00 100.00 4.93e-40
REF NP_011393 "mRNA-binding protein NAB2 [Saccharomyces cerevisiae S288c]" 97.18 525 100.00 100.00 3.58e-40
SP P32505 "RecName: Full=Nuclear polyadenylated RNA-binding protein NAB2" 97.18 525 100.00 100.00 3.58e-40
TPG DAA07987 "TPA: mRNA-binding protein NAB2 [Saccharomyces cerevisiae S288c]" 97.18 525 100.00 100.00 3.58e-40
stop_
save_
#############
# Ligands #
#############
save_ZN
_Saveframe_category ligand
_Mol_type "non-polymer (NON-POLYMER)"
_Name_common "entity_ZN (ZINC ION)"
_BMRB_code ZN
_PDB_code ZN
_Molecular_mass 65.409
_Mol_charge 2
_Mol_paramagnetic .
_Mol_aromatic no
_Details .
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
ZN ZN ZN . 2 . ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) pET28 n/a
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details '0.5 mmol/l'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 0.5 mM '[U-13C; U-15N]'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details '0.5 mmol/l'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 0.5 mM '[U-13C; U-15N]'
stop_
save_
############################
# Computer software used #
############################
save_AMBER
_Saveframe_category software
_Name AMBER
_Version any
loop_
_Vendor
_Address
_Electronic_address
'Case, D.A. et al' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details 'REFINEMENT PROTOCOL AS DESCRIBED IN THE'
save_
save_ANALYSIS
_Saveframe_category software
_Name ANALYSIS
_Version any
loop_
_Vendor
_Address
_Electronic_address
Analysis . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_AutoDep
_Saveframe_category software
_Name AutoDep
_Version 4.3
loop_
_Vendor
_Address
_Electronic_address
PDBe . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version any
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_NMRPIPE
_Saveframe_category software
_Name NMRPipe
_Version any
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_Bruker_Avance-600
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_Bruker_Avance-800
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N HSQC'
_Sample_label $sample_1
save_
save_1H-15N_HMBC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N HMBC'
_Sample_label $sample_1
save_
save_1H-13C_HSQC_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-13C HSQC'
_Sample_label $sample_1
save_
save_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label $sample_1
save_
save_HN(CA)CO_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CA)CO
_Sample_label $sample_1
save_
save_HNCA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_Sample_label $sample_1
save_
save_HNCACB_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label $sample_1
save_
save_CBCA(CO)HN_8
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)HN
_Sample_label $sample_1
save_
save_H(C)CH-TOCSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name H(C)CH-TOCSY
_Sample_label $sample_1
save_
save_(H)CCH-TOCSY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name (H)CCH-TOCSY
_Sample_label $sample_1
save_
save_(HB)CB(CGCD)HD_Aro_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '(HB)CB(CGCD)HD Aro'
_Sample_label $sample_1
save_
save_(HB)CB(CGCDCE)HE_Aro_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '(HB)CB(CGCDCE)HE Aro'
_Sample_label $sample_1
save_
save_15N_HSQC-NOESY_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N HSQC-NOESY'
_Sample_label $sample_1
save_
save_NOESY_and_TOCSY_14
_Saveframe_category NMR_applied_experiment
_Experiment_name 'NOESY and TOCSY'
_Sample_label $sample_1
save_
save_1H-13C_HSQC_15
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-13C HSQC'
_Sample_label $sample_1
save_
save_H(C)CH-TOCSY_16
_Saveframe_category NMR_applied_experiment
_Experiment_name H(C)CH-TOCSY
_Sample_label $sample_1
save_
save_(H)CCH-TOCSY_17
_Saveframe_category NMR_applied_experiment
_Experiment_name (H)CCH-TOCSY
_Sample_label $sample_1
save_
save_NOESY_AND_TOCSY_18
_Saveframe_category NMR_applied_experiment
_Experiment_name 'NOESY AND TOCSY'
_Sample_label $sample_1
save_
save_NOESY_19
_Saveframe_category NMR_applied_experiment
_Experiment_name NOESY
_Sample_label $sample_2
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details 'pH [6.5], temp [298], pressure [1], ionStrength [25.0]'
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 25.000 . mM
pH 6.500 . pH
pressure 1.000 . atm
temperature 298.000 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS H 1 'methyl protons' ppm 0.0 internal indirect . . . 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list
_Saveframe_category assigned_chemical_shifts
_Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/3zj2/ebi/Nab2_Z34_CS_curated.dat.csh'
loop_
_Experiment_label
'1H-15N HSQC'
'1H-15N HMBC'
'1H-13C HSQC'
HNCO
HN(CA)CO
HNCA
HNCACB
CBCA(CO)HN
H(C)CH-TOCSY
(H)CCH-TOCSY
'(HB)CB(CGCD)HD Aro'
'(HB)CB(CGCDCE)HE Aro'
'15N HSQC-NOESY'
'NOESY and TOCSY'
'NOESY AND TOCSY'
NOESY
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'NUCLEAR POLYADENYLATED RNA-BINDING PROTEIN NAB2'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 1 GLY CA C 43.271 . 1
2 2 2 SER HA H 4.451 0.005 1
3 2 2 SER HB2 H 3.842 0.006 1
4 2 2 SER HB3 H 3.842 0.006 1
5 2 2 SER CA C 58.068 0.016 1
6 2 2 SER CB C 63.688 0.003 1
7 3 3 VAL H H 8.327 0.005 1
8 3 3 VAL HA H 4.173 0.004 1
9 3 3 VAL HB H 2.087 0.005 1
10 3 3 VAL HG1 H 0.942 0.002 2
11 3 3 VAL HG2 H 0.956 0.006 2
12 3 3 VAL C C 176.109 0.006 1
13 3 3 VAL CA C 62.335 0.016 1
14 3 3 VAL CB C 32.749 0.045 1
15 3 3 VAL CG1 C 21.121 0.01 2
16 3 3 VAL CG2 C 20.480 0.006 2
17 3 3 VAL N N 121.906 0.066 1
18 4 4 GLN H H 8.588 0.01 1
19 4 4 GLN HA H 4.471 0.004 1
20 4 4 GLN HB2 H 2.016 0.006 2
21 4 4 GLN HB3 H 2.151 0.006 2
22 4 4 GLN HG2 H 2.395 0.006 1
23 4 4 GLN HG3 H 2.395 0.006 1
24 4 4 GLN C C 175.993 0.016 1
25 4 4 GLN CA C 55.676 0.023 1
26 4 4 GLN CB C 29.425 0.038 1
27 4 4 GLN CG C 33.749 0.034 1
28 4 4 GLN N N 124.768 0.05 1
29 5 5 THR H H 8.266 0.004 1
30 5 5 THR HA H 4.383 0.005 1
31 5 5 THR HB H 4.267 0.007 1
32 5 5 THR HG2 H 1.240 0.006 1
33 5 5 THR C C 174.936 0.004 1
34 5 5 THR CA C 61.740 0.037 1
35 5 5 THR CB C 69.895 0.04 1
36 5 5 THR CG2 C 21.436 0.017 1
37 5 5 THR N N 115.449 0.035 1
38 6 6 GLY H H 8.387 0.004 1
39 6 6 GLY HA2 H 3.904 0.008 2
40 6 6 GLY HA3 H 3.985 0.005 2
41 6 6 GLY C C 173.541 . 1
42 6 6 GLY CA C 45.124 0.046 1
43 6 6 GLY N N 110.955 0.029 1
44 7 7 ILE H H 7.754 0.003 1
45 7 7 ILE HA H 3.941 0.006 1
46 7 7 ILE HB H 1.026 0.003 1
47 7 7 ILE HG12 H 0.387 0.003 2
48 7 7 ILE HG13 H 1.139 0.004 2
49 7 7 ILE HG2 H 0.035 0.002 1
50 7 7 ILE HD1 H -0.640 0.001 1
51 7 7 ILE C C 174.520 0.004 1
52 7 7 ILE CA C 61.995 0.024 1
53 7 7 ILE CB C 39.537 0.054 1
54 7 7 ILE CG1 C 27.931 0.042 1
55 7 7 ILE CG2 C 16.188 0.011 1
56 7 7 ILE CD1 C 11.915 0.015 1
57 7 7 ILE N N 121.834 0.036 1
58 8 8 VAL H H 8.094 0.004 1
59 8 8 VAL HA H 4.003 0.005 1
60 8 8 VAL HB H 1.924 0.003 1
61 8 8 VAL HG1 H 0.545 0.005 2
62 8 8 VAL HG2 H 0.879 0.004 2
63 8 8 VAL C C 176.003 . 1
64 8 8 VAL CA C 60.706 0.024 1
65 8 8 VAL CB C 34.054 0.056 1
66 8 8 VAL CG1 C 21.371 0.072 2
67 8 8 VAL CG2 C 20.668 0.034 2
68 8 8 VAL N N 127.944 0.048 1
69 9 9 LEU H H 8.673 0.006 1
70 9 9 LEU HA H 3.980 0.004 1
71 9 9 LEU HB2 H 1.245 0.003 2
72 9 9 LEU HB3 H 1.598 0.006 2
73 9 9 LEU HG H 1.563 0.004 1
74 9 9 LEU HD1 H 0.582 0.002 2
75 9 9 LEU HD2 H 0.835 0.005 2
76 9 9 LEU C C 176.429 . 1
77 9 9 LEU CA C 55.237 0.013 1
78 9 9 LEU CB C 41.217 0.045 1
79 9 9 LEU CG C 27.342 0.05 1
80 9 9 LEU CD1 C 23.097 0.009 2
81 9 9 LEU CD2 C 24.692 0.019 2
82 9 9 LEU N N 126.607 0.035 1
83 10 10 CYS H H 8.313 0.004 1
84 10 10 CYS HA H 3.916 0.005 1
85 10 10 CYS HB2 H 2.094 0.213 2
86 10 10 CYS HB3 H 2.473 0.187 2
87 10 10 CYS C C 178.069 . 1
88 10 10 CYS CA C 60.595 0.042 1
89 10 10 CYS CB C 30.456 0.036 1
90 10 10 CYS N N 124.651 0.052 1
91 11 11 LYS H H 9.004 0.005 1
92 11 11 LYS HA H 3.980 0.006 1
93 11 11 LYS HB2 H 1.416 0.005 2
94 11 11 LYS HB3 H 1.531 0.006 2
95 11 11 LYS HG2 H 0.742 0.005 2
96 11 11 LYS HG3 H 1.053 0.005 2
97 11 11 LYS HD2 H 1.418 0.004 1
98 11 11 LYS HD3 H 1.418 0.004 1
99 11 11 LYS HE2 H 2.765 0.007 1
100 11 11 LYS HE3 H 2.765 0.007 1
101 11 11 LYS C C 176.695 0.013 1
102 11 11 LYS CA C 58.632 0.03 1
103 11 11 LYS CB C 31.679 0.051 1
104 11 11 LYS CG C 23.778 0.027 1
105 11 11 LYS CD C 28.853 0.04 1
106 11 11 LYS CE C 41.696 0.027 1
107 11 11 LYS N N 132.045 0.036 1
108 12 12 PHE H H 8.454 0.003 1
109 12 12 PHE HA H 4.657 0.006 1
110 12 12 PHE HB2 H 2.986 0.004 2
111 12 12 PHE HB3 H 3.139 0.006 2
112 12 12 PHE HD1 H 7.446 0.004 3
113 12 12 PHE HD2 H 7.446 0.004 3
114 12 12 PHE HE1 H 7.483 0.005 3
115 12 12 PHE HE2 H 7.483 0.005 3
116 12 12 PHE HZ H 7.396 0.005 1
117 12 12 PHE C C 177.305 0.003 1
118 12 12 PHE CA C 58.257 0.034 1
119 12 12 PHE CB C 39.402 0.037 1
120 12 12 PHE CZ C 130.256 . 1
121 12 12 PHE N N 117.491 0.047 1
122 13 13 GLY H H 7.550 0.004 1
123 13 13 GLY HA2 H 4.006 0.003 2
124 13 13 GLY HA3 H 4.149 0.006 2
125 13 13 GLY C C 175.154 0.001 1
126 13 13 GLY CA C 47.261 0.055 1
127 13 13 GLY N N 108.143 0.031 1
128 14 14 ALA H H 9.622 0.003 1
129 14 14 ALA HA H 4.437 0.006 1
130 14 14 ALA HB H 1.619 0.004 1
131 14 14 ALA C C 177.654 0.007 1
132 14 14 ALA CA C 54.012 0.025 1
133 14 14 ALA CB C 19.120 0.035 1
134 14 14 ALA N N 129.182 0.031 1
135 15 15 LEU H H 8.135 0.005 1
136 15 15 LEU HA H 4.437 0.005 1
137 15 15 LEU HB2 H 1.835 0.005 2
138 15 15 LEU HB3 H 1.979 0.003 2
139 15 15 LEU HG H 1.758 0.004 1
140 15 15 LEU HD1 H 0.888 0.004 2
141 15 15 LEU HD2 H 1.025 0.004 2
142 15 15 LEU C C 176.267 0.001 1
143 15 15 LEU CA C 54.034 0.008 1
144 15 15 LEU CB C 41.027 0.038 1
145 15 15 LEU CG C 27.387 0.077 1
146 15 15 LEU CD1 C 22.834 0.036 2
147 15 15 LEU CD2 C 25.166 0.054 2
148 15 15 LEU N N 116.912 0.034 1
149 16 16 CYS H H 7.191 0.003 1
150 16 16 CYS HA H 3.780 0.003 1
151 16 16 CYS HB2 H 3.127 0.004 2
152 16 16 CYS HB3 H 3.776 0.002 2
153 16 16 CYS C C 175.951 0.002 1
154 16 16 CYS CA C 61.726 0.032 1
155 16 16 CYS CB C 30.045 0.021 1
156 16 16 CYS N N 122.715 0.033 1
157 17 17 SER H H 8.414 0.004 1
158 17 17 SER HA H 4.583 0.007 1
159 17 17 SER HB2 H 3.671 0.007 2
160 17 17 SER HB3 H 4.105 0.007 2
161 17 17 SER C C 173.067 0.001 1
162 17 17 SER CA C 57.563 0.051 1
163 17 17 SER CB C 64.284 0.061 1
164 17 17 SER N N 123.107 0.035 1
165 18 18 ASN H H 7.965 0.004 1
166 18 18 ASN HA H 5.226 0.006 1
167 18 18 ASN HB2 H 2.903 0.036 2
168 18 18 ASN HB3 H 3.012 0.048 2
169 18 18 ASN HD21 H 7.785 0.027 1
170 18 18 ASN HD22 H 7.058 0.05 1
171 18 18 ASN C C 173.987 . 1
172 18 18 ASN CA C 49.266 0.062 1
173 18 18 ASN CB C 40.046 0.049 1
174 18 18 ASN N N 122.526 0.047 1
175 18 18 ASN ND2 N 111.034 0.001 1
176 19 19 PRO HA H 4.076 0.005 1
177 19 19 PRO HB2 H 1.972 0.008 2
178 19 19 PRO HB3 H 2.075 0.006 2
179 19 19 PRO HG2 H 1.867 0.007 2
180 19 19 PRO HG3 H 2.006 0.006 2
181 19 19 PRO HD2 H 3.957 0.005 2
182 19 19 PRO HD3 H 4.099 0.006 2
183 19 19 PRO C C 178.221 . 1
184 19 19 PRO CA C 65.176 0.037 1
185 19 19 PRO CB C 32.507 0.047 1
186 19 19 PRO CG C 27.113 0.037 1
187 19 19 PRO CD C 51.031 0.024 1
188 20 20 SER H H 7.504 0.004 1
189 20 20 SER HA H 4.505 0.007 1
190 20 20 SER HB2 H 3.865 0.009 2
191 20 20 SER HB3 H 3.916 0.006 2
192 20 20 SER C C 173.354 . 1
193 20 20 SER CA C 57.044 0.046 1
194 20 20 SER CB C 62.939 0.073 1
195 20 20 SER N N 111.406 0.041 1
196 21 21 CYS H H 7.748 0.005 1
197 21 21 CYS HA H 4.181 0.004 1
198 21 21 CYS HB2 H 2.999 0.004 2
199 21 21 CYS HB3 H 3.443 0.004 2
200 21 21 CYS C C 176.747 . 1
201 21 21 CYS CA C 58.150 0.051 1
202 21 21 CYS CB C 32.118 0.04 1
203 21 21 CYS N N 126.372 0.034 1
204 22 22 PRO HA H 4.808 0.004 1
205 22 22 PRO HB2 H 1.978 0.01 2
206 22 22 PRO HB3 H 2.026 0.006 2
207 22 22 PRO HG2 H 0.617 0.005 2
208 22 22 PRO HG3 H 1.699 0.007 2
209 22 22 PRO HD2 H 3.485 0.003 2
210 22 22 PRO HD3 H 3.679 0.005 2
211 22 22 PRO C C 176.293 . 1
212 22 22 PRO CA C 63.922 0.051 1
213 22 22 PRO CB C 32.125 0.032 1
214 22 22 PRO CG C 25.054 0.052 1
215 22 22 PRO CD C 51.350 0.031 1
216 23 23 PHE H H 8.313 0.009 1
217 23 23 PHE HA H 5.282 0.002 1
218 23 23 PHE HB2 H 2.767 0.003 2
219 23 23 PHE HB3 H 3.435 0.004 2
220 23 23 PHE HD1 H 7.489 0.004 3
221 23 23 PHE HD2 H 7.489 0.004 3
222 23 23 PHE HE1 H 7.440 0.006 3
223 23 23 PHE HE2 H 7.440 0.006 3
224 23 23 PHE HZ H 7.368 0.006 1
225 23 23 PHE C C 175.181 0.011 1
226 23 23 PHE CA C 56.319 0.043 1
227 23 23 PHE CB C 39.454 0.056 1
228 23 23 PHE CZ C 130.223 . 1
229 23 23 PHE N N 122.651 0.071 1
230 24 24 GLY H H 9.574 0.003 1
231 24 24 GLY HA2 H 2.919 0.003 2
232 24 24 GLY HA3 H 4.546 0.003 2
233 24 24 GLY C C 173.702 0.003 1
234 24 24 GLY CA C 46.556 0.011 1
235 24 24 GLY N N 103.653 0.049 1
236 25 25 HIS H H 9.571 0.003 1
237 25 25 HIS HA H 5.056 0.004 1
238 25 25 HIS HB2 H 3.029 0.111 2
239 25 25 HIS HB3 H 3.324 0.111 2
240 25 25 HIS HD1 H 11.848 0.001 1
241 25 25 HIS HD2 H 7.583 0.004 1
242 25 25 HIS HE1 H 8.000 0.003 1
243 25 25 HIS C C 172.265 . 1
244 25 25 HIS CA C 55.596 0.015 1
245 25 25 HIS CB C 28.447 0.015 1
246 25 25 HIS CD2 C 127.009 . 1
247 25 25 HIS CE1 C 139.958 0.005 1
248 25 25 HIS N N 123.720 0.037 1
249 25 25 HIS ND1 N 172.204 0.037 1
250 25 25 HIS NE2 N 221.214 . 1
251 26 26 PRO HA H 4.652 0.007 1
252 26 26 PRO HB2 H 2.106 0.004 2
253 26 26 PRO HB3 H 2.371 0.003 2
254 26 26 PRO HG2 H 2.183 0.005 1
255 26 26 PRO HG3 H 2.183 0.005 1
256 26 26 PRO HD2 H 3.933 0.124 2
257 26 26 PRO HD3 H 3.626 0.086 2
258 26 26 PRO C C 173.454 . 1
259 26 26 PRO CA C 62.044 0.047 1
260 26 26 PRO CB C 33.180 0.058 1
261 26 26 PRO CG C 27.684 0.046 1
262 26 26 PRO CD C 50.707 0.033 1
263 27 27 THR H H 7.821 0.004 1
264 27 27 THR HA H 2.475 0.001 1
265 27 27 THR HB H 4.212 0.004 1
266 27 27 THR HG1 H 5.613 0.002 1
267 27 27 THR HG2 H 1.344 0.004 1
268 27 27 THR C C 172.749 . 1
269 27 27 THR CA C 56.054 0.049 1
270 27 27 THR CB C 68.757 0.021 1
271 27 27 THR CG2 C 20.437 0.052 1
272 27 27 THR N N 115.530 0.047 1
273 28 28 PRO HA H 4.276 0.003 1
274 28 28 PRO HB2 H 1.947 0.004 2
275 28 28 PRO HB3 H 2.254 0.004 2
276 28 28 PRO HG2 H 2.139 0.068 2
277 28 28 PRO HG3 H 2.056 0.077 2
278 28 28 PRO HD2 H 3.373 0.004 2
279 28 28 PRO HD3 H 3.771 0.002 2
280 28 28 PRO C C 177.076 . 1
281 28 28 PRO CA C 63.871 0.035 1
282 28 28 PRO CB C 32.082 0.044 1
283 28 28 PRO CG C 26.778 0.041 1
284 28 28 PRO CD C 52.164 0.01 1
285 29 29 ALA H H 8.013 0.004 1
286 29 29 ALA HA H 4.144 0.006 1
287 29 29 ALA HB H 1.073 0.003 1
288 29 29 ALA C C 177.067 . 1
289 29 29 ALA CA C 52.433 0.036 1
290 29 29 ALA CB C 18.426 0.044 1
291 29 29 ALA N N 118.634 0.028 1
292 30 30 ASN H H 7.440 0.003 1
293 30 30 ASN HA H 4.666 0.006 1
294 30 30 ASN HB2 H 2.825 0.004 2
295 30 30 ASN HB3 H 2.912 0.005 2
296 30 30 ASN HD21 H 7.526 0.002 1
297 30 30 ASN HD22 H 7.072 0.002 1
298 30 30 ASN C C 173.757 0.001 1
299 30 30 ASN CA C 52.910 0.022 1
300 30 30 ASN CB C 38.804 0.018 1
301 30 30 ASN N N 114.402 0.035 1
302 30 30 ASN ND2 N 109.566 0.003 1
303 31 31 GLU H H 9.110 0.005 1
304 31 31 GLU HA H 4.258 0.008 1
305 31 31 GLU HB2 H 1.972 0.001 2
306 31 31 GLU HB3 H 2.022 0.004 2
307 31 31 GLU HG2 H 2.245 0.005 1
308 31 31 GLU HG3 H 2.245 0.005 1
309 31 31 GLU C C 176.144 0.001 1
310 31 31 GLU CA C 58.293 0.028 1
311 31 31 GLU CB C 29.078 0.015 1
312 31 31 GLU CG C 35.717 0.017 1
313 31 31 GLU N N 125.265 0.058 1
314 32 32 ASP H H 7.858 0.003 1
315 32 32 ASP HA H 4.850 0.002 1
316 32 32 ASP HB2 H 2.537 0.006 2
317 32 32 ASP HB3 H 2.852 0.005 2
318 32 32 ASP C C 176.080 . 1
319 32 32 ASP CA C 53.936 0.017 1
320 32 32 ASP CB C 41.788 0.039 1
321 32 32 ASP N N 117.343 0.032 1
322 33 33 ALA H H 7.544 0.003 1
323 33 33 ALA HA H 4.133 0.006 1
324 33 33 ALA HB H 1.589 0.002 1
325 33 33 ALA C C 176.096 0.002 1
326 33 33 ALA CA C 53.017 0.014 1
327 33 33 ALA CB C 20.528 0.037 1
328 33 33 ALA N N 123.732 0.037 1
329 34 34 LYS H H 7.942 0.003 1
330 34 34 LYS HA H 4.541 0.006 1
331 34 34 LYS HB2 H 1.657 0.005 1
332 34 34 LYS HB3 H 1.657 0.005 1
333 34 34 LYS HG2 H 1.394 0.003 2
334 34 34 LYS HG3 H 1.445 0.003 2
335 34 34 LYS HD2 H 1.625 0.001 1
336 34 34 LYS HD3 H 1.625 0.001 1
337 34 34 LYS HE2 H 2.968 0.005 1
338 34 34 LYS HE3 H 2.968 0.005 1
339 34 34 LYS C C 175.592 0.001 1
340 34 34 LYS CA C 54.037 0.032 1
341 34 34 LYS CB C 34.030 0.053 1
342 34 34 LYS CG C 24.683 0.011 1
343 34 34 LYS CD C 28.586 0.025 1
344 34 34 LYS CE C 41.934 0.017 1
345 34 34 LYS N N 118.521 0.028 1
346 35 35 VAL H H 8.328 0.003 1
347 35 35 VAL HA H 3.696 0.004 1
348 35 35 VAL HB H 1.907 0.003 1
349 35 35 VAL HG1 H 0.456 0.002 2
350 35 35 VAL HG2 H 0.705 0.004 2
351 35 35 VAL C C 175.022 0.016 1
352 35 35 VAL CA C 62.405 0.021 1
353 35 35 VAL CB C 29.745 0.068 1
354 35 35 VAL CG1 C 20.394 0.027 2
355 35 35 VAL CG2 C 21.661 0.006 2
356 35 35 VAL N N 123.008 0.047 1
357 36 36 ILE H H 8.004 0.004 1
358 36 36 ILE HA H 4.218 0.008 1
359 36 36 ILE HB H 1.758 0.004 1
360 36 36 ILE HG12 H 1.118 0.005 2
361 36 36 ILE HG13 H 1.386 0.006 2
362 36 36 ILE HG2 H 0.876 0.004 1
363 36 36 ILE HD1 H 0.830 0.006 1
364 36 36 ILE C C 174.939 0.026 1
365 36 36 ILE CA C 60.911 0.013 1
366 36 36 ILE CB C 40.955 0.062 1
367 36 36 ILE CG1 C 27.005 0.051 1
368 36 36 ILE CG2 C 17.686 0.038 1
369 36 36 ILE CD1 C 12.795 0.022 1
370 36 36 ILE N N 123.995 0.038 1
371 37 37 ASP H H 8.161 0.003 1
372 37 37 ASP HA H 4.738 0.01 1
373 37 37 ASP HB2 H 2.316 0.005 2
374 37 37 ASP HB3 H 2.475 0.006 2
375 37 37 ASP C C 175.225 . 1
376 37 37 ASP CA C 52.902 0.041 1
377 37 37 ASP CB C 41.712 0.044 1
378 37 37 ASP N N 123.355 0.028 1
379 38 38 LEU H H 8.338 0.012 1
380 38 38 LEU HA H 3.829 0.003 1
381 38 38 LEU HB2 H 1.158 0.004 2
382 38 38 LEU HB3 H 1.660 0.003 2
383 38 38 LEU HG H 1.469 0.004 1
384 38 38 LEU HD1 H 0.504 0.003 2
385 38 38 LEU HD2 H 0.834 0.005 2
386 38 38 LEU C C 174.839 0.001 1
387 38 38 LEU CA C 53.677 0.017 1
388 38 38 LEU CB C 38.177 0.011 1
389 38 38 LEU CG C 26.542 0.069 1
390 38 38 LEU CD1 C 22.626 0.017 2
391 38 38 LEU CD2 C 25.055 0.033 2
392 38 38 LEU N N 124.963 0.081 1
393 39 39 MET H H 8.690 0.003 1
394 39 39 MET HA H 4.279 0.004 1
395 39 39 MET HB2 H 1.691 0.008 2
396 39 39 MET HB3 H 1.910 0.004 2
397 39 39 MET HG2 H 2.246 0.007 2
398 39 39 MET HG3 H 2.322 0.006 2
399 39 39 MET HE H 2.086 0.004 1
400 39 39 MET C C 174.062 0.001 1
401 39 39 MET CA C 53.738 0.011 1
402 39 39 MET CB C 36.451 0.031 1
403 39 39 MET CG C 30.987 0.015 1
404 39 39 MET CE C 16.909 . 1
405 39 39 MET N N 123.288 0.032 1
406 40 40 TRP H H 8.608 0.004 1
407 40 40 TRP HA H 4.645 0.004 1
408 40 40 TRP HB2 H 2.930 0.004 2
409 40 40 TRP HB3 H 3.190 0.004 2
410 40 40 TRP HD1 H 7.300 0.005 1
411 40 40 TRP HE1 H 10.099 0.002 1
412 40 40 TRP HE3 H 7.311 0.002 1
413 40 40 TRP HZ2 H 7.435 0.004 1
414 40 40 TRP HZ3 H 6.845 0.002 1
415 40 40 TRP HH2 H 6.929 0.003 1
416 40 40 TRP C C 176.531 0.001 1
417 40 40 TRP CA C 56.729 0.035 1
418 40 40 TRP CB C 28.938 0.012 1
419 40 40 TRP CD1 C 128.089 . 1
420 40 40 TRP CE3 C 120.610 . 1
421 40 40 TRP CZ2 C 132.031 . 1
422 40 40 TRP CZ3 C 120.810 . 1
423 40 40 TRP CH2 C 124.379 . 1
424 40 40 TRP N N 123.202 0.03 1
425 40 40 TRP NE1 N 129.076 . 1
426 41 41 CYS H H 9.076 0.003 1
427 41 41 CYS HA H 3.961 0.004 1
428 41 41 CYS HB2 H 2.271 0.107 2
429 41 41 CYS HB3 H 2.033 0.114 2
430 41 41 CYS C C 176.851 0.003 1
431 41 41 CYS CA C 60.118 0.071 1
432 41 41 CYS CB C 30.098 0.038 1
433 41 41 CYS N N 127.844 0.025 1
434 42 42 ASP H H 9.003 0.005 1
435 42 42 ASP HA H 4.391 0.005 1
436 42 42 ASP HB2 H 2.772 0.007 2
437 42 42 ASP HB3 H 2.800 0.006 2
438 42 42 ASP C C 177.467 0.003 1
439 42 42 ASP CA C 57.314 0.021 1
440 42 42 ASP CB C 40.307 0.013 1
441 42 42 ASP N N 130.323 0.036 1
442 43 43 LYS H H 8.195 0.003 1
443 43 43 LYS HA H 4.185 0.01 1
444 43 43 LYS HB2 H 1.699 0.006 1
445 43 43 LYS HB3 H 1.699 0.006 1
446 43 43 LYS HG2 H 1.378 0.005 2
447 43 43 LYS HG3 H 1.680 0.004 2
448 43 43 LYS HD2 H 1.675 0.005 2
449 43 43 LYS HD3 H 1.723 0.003 2
450 43 43 LYS HE2 H 3.025 0.008 1
451 43 43 LYS HE3 H 3.025 0.008 1
452 43 43 LYS C C 177.884 0.005 1
453 43 43 LYS CA C 57.753 0.048 1
454 43 43 LYS CB C 32.508 0.039 1
455 43 43 LYS CG C 25.923 0.04 1
456 43 43 LYS CD C 29.132 0.026 1
457 43 43 LYS CE C 41.831 0.022 1
458 43 43 LYS N N 120.197 0.028 1
459 44 44 ASN H H 8.285 0.003 1
460 44 44 ASN HA H 4.529 0.005 1
461 44 44 ASN HB2 H 2.906 0.004 2
462 44 44 ASN HB3 H 3.549 0.003 2
463 44 44 ASN HD21 H 7.665 0.002 1
464 44 44 ASN HD22 H 7.393 0.003 1
465 44 44 ASN C C 176.167 0.002 1
466 44 44 ASN CA C 55.200 0.021 1
467 44 44 ASN CB C 36.040 0.015 1
468 44 44 ASN N N 119.853 0.043 1
469 44 44 ASN ND2 N 109.433 . 1
470 45 45 LEU H H 8.570 0.004 1
471 45 45 LEU HA H 4.254 0.005 1
472 45 45 LEU HB2 H 1.647 0.004 2
473 45 45 LEU HB3 H 1.925 0.004 2
474 45 45 LEU HG H 1.456 0.322 1
475 45 45 LEU HD1 H 0.712 0.002 2
476 45 45 LEU HD2 H 0.761 0.088 2
477 45 45 LEU C C 177.243 0.001 1
478 45 45 LEU CA C 57.316 0.017 1
479 45 45 LEU CB C 40.521 0.052 1
480 45 45 LEU CG C 26.468 0.037 1
481 45 45 LEU CD1 C 22.539 0.035 1
482 45 45 LEU CD2 C 22.539 0.035 1
483 45 45 LEU N N 121.031 0.033 1
484 46 46 THR H H 8.142 0.005 1
485 46 46 THR HA H 4.455 0.003 1
486 46 46 THR HB H 4.485 0.002 1
487 46 46 THR HG2 H 1.183 0.005 1
488 46 46 THR C C 174.002 0.005 1
489 46 46 THR CA C 60.506 0.023 1
490 46 46 THR CB C 68.755 0.047 1
491 46 46 THR CG2 C 21.584 0.043 1
492 46 46 THR N N 107.705 0.033 1
493 47 47 CYS H H 7.592 0.004 1
494 47 47 CYS HA H 3.601 0.004 1
495 47 47 CYS HB2 H 3.114 0.004 2
496 47 47 CYS HB3 H 3.596 0.005 2
497 47 47 CYS C C 174.087 . 1
498 47 47 CYS CA C 63.078 0.05 1
499 47 47 CYS CB C 29.696 0.028 1
500 47 47 CYS N N 124.991 0.028 1
501 48 48 ASP H H 8.326 0.004 1
502 48 48 ASP HA H 4.650 0.01 1
503 48 48 ASP HB2 H 2.522 0.004 2
504 48 48 ASP HB3 H 3.018 0.004 2
505 48 48 ASP C C 175.116 . 1
506 48 48 ASP CA C 52.238 0.023 1
507 48 48 ASP CB C 40.278 0.025 1
508 48 48 ASP N N 127.831 0.032 1
509 49 49 ASN H H 7.810 0.009 1
510 49 49 ASN HA H 5.215 0.006 1
511 49 49 ASN HB2 H 2.964 0.054 2
512 49 49 ASN HB3 H 3.068 0.051 2
513 49 49 ASN HD21 H 7.863 0.035 1
514 49 49 ASN HD22 H 7.199 0.048 1
515 49 49 ASN C C 174.062 . 1
516 49 49 ASN CA C 49.287 0.057 1
517 49 49 ASN CB C 40.036 0.032 1
518 49 49 ASN N N 120.319 0.055 1
519 49 49 ASN ND2 N 110.542 0.002 1
520 50 50 PRO HA H 4.054 0.004 1
521 50 50 PRO HB2 H 2.155 0.005 2
522 50 50 PRO HB3 H 2.275 0.003 2
523 50 50 PRO HG2 H 2.100 0.004 1
524 50 50 PRO HG3 H 2.100 0.004 1
525 50 50 PRO HD2 H 4.120 0.002 1
526 50 50 PRO HD3 H 4.120 0.002 1
527 50 50 PRO C C 176.166 . 1
528 50 50 PRO CA C 64.120 0.045 1
529 50 50 PRO CB C 32.051 0.004 1
530 50 50 PRO CG C 27.147 0.032 1
531 50 50 PRO CD C 51.115 0.027 1
532 51 51 GLU H H 7.601 0.003 1
533 51 51 GLU HA H 4.402 0.006 1
534 51 51 GLU HB2 H 1.899 0.004 2
535 51 51 GLU HB3 H 2.327 0.003 2
536 51 51 GLU HG2 H 2.172 0.006 2
537 51 51 GLU HG3 H 2.301 0.008 2
538 51 51 GLU C C 175.617 0.006 1
539 51 51 GLU CA C 55.021 0.023 1
540 51 51 GLU CB C 29.297 0.018 1
541 51 51 GLU CG C 36.522 0.006 1
542 51 51 GLU N N 114.997 0.036 1
543 52 52 CYS H H 7.665 0.003 1
544 52 52 CYS HA H 3.994 0.004 1
545 52 52 CYS HB2 H 3.020 0.004 2
546 52 52 CYS HB3 H 3.102 0.006 2
547 52 52 CYS C C 177.599 0.003 1
548 52 52 CYS CA C 62.310 0.046 1
549 52 52 CYS CB C 30.143 0.025 1
550 52 52 CYS N N 123.732 0.03 1
551 53 53 ARG H H 9.276 0.004 1
552 53 53 ARG HA H 4.980 0.003 1
553 53 53 ARG HB2 H 1.868 0.008 2
554 53 53 ARG HB3 H 2.260 0.005 2
555 53 53 ARG HG2 H 1.845 0.008 2
556 53 53 ARG HG3 H 1.939 0.003 2
557 53 53 ARG HD2 H 3.271 0.004 1
558 53 53 ARG HD3 H 3.271 0.004 1
559 53 53 ARG C C 176.142 0.001 1
560 53 53 ARG CA C 55.414 0.042 1
561 53 53 ARG CB C 31.980 0.043 1
562 53 53 ARG CG C 27.126 0.026 1
563 53 53 ARG CD C 43.791 0.029 1
564 53 53 ARG N N 130.518 0.042 1
565 54 54 LYS H H 8.631 0.006 1
566 54 54 LYS HA H 5.503 0.002 1
567 54 54 LYS HB2 H 1.479 0.006 2
568 54 54 LYS HB3 H 2.147 0.004 2
569 54 54 LYS HG2 H 1.362 0.004 2
570 54 54 LYS HG3 H 1.756 0.004 2
571 54 54 LYS HD2 H 1.465 0.004 2
572 54 54 LYS HD3 H 1.685 0.005 2
573 54 54 LYS HE2 H 3.133 0.005 1
574 54 54 LYS HE3 H 3.133 0.005 1
575 54 54 LYS C C 174.527 0.007 1
576 54 54 LYS CA C 56.355 0.046 1
577 54 54 LYS CB C 35.450 0.063 1
578 54 54 LYS CG C 27.123 0.038 1
579 54 54 LYS CD C 30.816 0.043 1
580 54 54 LYS CE C 42.335 0.016 1
581 54 54 LYS N N 122.612 0.031 1
582 55 55 ALA H H 8.274 0.004 1
583 55 55 ALA HA H 4.658 0.004 1
584 55 55 ALA HB H 0.668 0.003 1
585 55 55 ALA C C 176.546 0.005 1
586 55 55 ALA CA C 51.477 0.047 1
587 55 55 ALA CB C 21.060 0.054 1
588 55 55 ALA N N 118.422 0.05 1
589 56 56 HIS H H 9.348 0.003 1
590 56 56 HIS HA H 5.323 0.004 1
591 56 56 HIS HB2 H 2.946 0.002 2
592 56 56 HIS HB3 H 3.521 0.003 2
593 56 56 HIS HD1 H 10.907 0.002 1
594 56 56 HIS HD2 H 8.004 0.003 1
595 56 56 HIS HE1 H 8.445 0.002 1
596 56 56 HIS C C 176.428 0.036 1
597 56 56 HIS CA C 55.221 0.017 1
598 56 56 HIS CB C 31.614 0.032 1
599 56 56 HIS CD2 C 127.411 . 1
600 56 56 HIS CE1 C 142.744 0.01 1
601 56 56 HIS N N 118.709 0.033 1
602 56 56 HIS ND1 N 170.053 0.095 1
603 56 56 HIS NE2 N 221.123 . 1
604 57 57 SER H H 10.390 0.003 1
605 57 57 SER HA H 5.483 0.004 1
606 57 57 SER HB2 H 3.630 0.004 2
607 57 57 SER HB3 H 4.366 0.007 2
608 57 57 SER C C 169.536 0.002 1
609 57 57 SER CA C 59.621 0.041 1
610 57 57 SER CB C 62.776 0.043 1
611 57 57 SER N N 122.280 0.071 1
612 58 58 SER H H 8.344 0.008 1
613 58 58 SER HA H 2.826 0.006 1
614 58 58 SER HB2 H 3.453 0.004 2
615 58 58 SER HB3 H 3.580 0.006 2
616 58 58 SER HG H 4.741 0.002 1
617 58 58 SER C C 176.029 . 1
618 58 58 SER CA C 58.114 0.041 1
619 58 58 SER CB C 64.212 0.04 1
620 58 58 SER N N 113.757 0.073 1
621 59 59 LEU H H 8.683 0.004 1
622 59 59 LEU HA H 4.017 0.004 1
623 59 59 LEU HB2 H 1.734 0.008 2
624 59 59 LEU HB3 H 1.816 0.004 2
625 59 59 LEU HG H 1.751 0.007 1
626 59 59 LEU HD1 H 0.970 0.005 2
627 59 59 LEU HD2 H 1.016 0.004 2
628 59 59 LEU C C 178.423 0.003 1
629 59 59 LEU CA C 56.689 0.037 1
630 59 59 LEU CB C 41.153 0.04 1
631 59 59 LEU CG C 27.175 0.01 1
632 59 59 LEU CD1 C 24.579 0.006 2
633 59 59 LEU CD2 C 24.588 . 2
634 59 59 LEU N N 128.488 0.043 1
635 60 60 SER H H 7.498 0.003 1
636 60 60 SER HA H 4.254 0.003 1
637 60 60 SER HB2 H 3.704 0.004 2
638 60 60 SER HB3 H 3.985 0.005 2
639 60 60 SER HG H 4.442 . 1
640 60 60 SER C C 175.790 0.002 1
641 60 60 SER CA C 60.439 0.03 1
642 60 60 SER CB C 62.924 0.052 1
643 60 60 SER N N 113.146 0.032 1
644 61 61 LYS H H 7.887 0.003 1
645 61 61 LYS HA H 4.108 0.003 1
646 61 61 LYS HB2 H 1.916 0.004 1
647 61 61 LYS HB3 H 1.916 0.004 1
648 61 61 LYS HG2 H 1.480 0.003 2
649 61 61 LYS HG3 H 1.620 0.005 2
650 61 61 LYS HD2 H 1.651 0.004 2
651 61 61 LYS HD3 H 1.814 0.005 2
652 61 61 LYS HE2 H 2.990 0.002 1
653 61 61 LYS HE3 H 2.990 0.002 1
654 61 61 LYS C C 177.541 0.004 1
655 61 61 LYS CA C 58.300 0.016 1
656 61 61 LYS CB C 33.354 0.03 1
657 61 61 LYS CG C 25.719 0.012 1
658 61 61 LYS CD C 29.130 0.023 1
659 61 61 LYS CE C 41.681 0.024 1
660 61 61 LYS N N 122.022 0.038 1
661 62 62 ILE H H 7.766 0.003 1
662 62 62 ILE HA H 4.266 0.003 1
663 62 62 ILE HB H 2.030 0.004 1
664 62 62 ILE HG12 H 1.214 0.005 2
665 62 62 ILE HG13 H 1.554 0.004 2
666 62 62 ILE HG2 H 0.934 0.003 1
667 62 62 ILE HD1 H 0.968 0.004 1
668 62 62 ILE C C 175.952 0.005 1
669 62 62 ILE CA C 61.850 0.013 1
670 62 62 ILE CB C 39.380 0.033 1
671 62 62 ILE CG1 C 27.949 0.049 1
672 62 62 ILE CG2 C 18.090 0.033 1
673 62 62 ILE CD1 C 13.869 0.023 1
674 62 62 ILE N N 114.534 0.036 1
675 63 63 LYS H H 7.818 0.002 1
676 63 63 LYS HA H 4.371 0.005 1
677 63 63 LYS HB2 H 1.702 0.004 2
678 63 63 LYS HB3 H 1.814 0.004 2
679 63 63 LYS HG2 H 1.366 0.002 1
680 63 63 LYS HD2 H 1.636 0.005 1
681 63 63 LYS HD3 H 1.636 0.005 1
682 63 63 LYS HE2 H 2.928 0.007 1
683 63 63 LYS HE3 H 2.928 0.007 1
684 63 63 LYS C C 175.495 0.002 1
685 63 63 LYS CA C 55.996 0.036 1
686 63 63 LYS CB C 33.630 0.026 1
687 63 63 LYS CG C 24.617 0.059 1
688 63 63 LYS CD C 29.124 0.047 1
689 63 63 LYS CE C 41.891 0.025 1
690 63 63 LYS N N 122.021 0.047 1
691 64 64 GLU H H 8.055 0.003 1
692 64 64 GLU HA H 4.249 0.007 1
693 64 64 GLU HB2 H 1.934 0.006 2
694 64 64 GLU HB3 H 1.990 0.007 2
695 64 64 GLU HG2 H 2.147 0.004 2
696 64 64 GLU HG3 H 2.241 0.007 2
697 64 64 GLU C C 176.191 0.001 1
698 64 64 GLU CA C 56.471 0.027 1
699 64 64 GLU CB C 30.156 0.02 1
700 64 64 GLU CG C 36.283 0.003 1
701 64 64 GLU N N 120.969 0.031 1
702 65 65 VAL H H 8.197 0.003 1
703 65 65 VAL HA H 4.078 0.006 1
704 65 65 VAL HB H 1.986 0.004 1
705 65 65 VAL HG1 H 0.864 0.006 2
706 65 65 VAL HG2 H 0.887 0.005 2
707 65 65 VAL C C 175.724 . 1
708 65 65 VAL CA C 62.099 0.027 1
709 65 65 VAL CB C 32.729 0.059 1
710 65 65 VAL CG1 C 20.486 0.003 2
711 65 65 VAL CG2 C 21.106 0.009 2
712 65 65 VAL N N 123.256 0.034 1
713 66 66 LYS H H 8.366 0.004 1
714 66 66 LYS HA H 4.610 0.007 1
715 66 66 LYS HB2 H 1.706 0.005 2
716 66 66 LYS HB3 H 1.799 0.004 2
717 66 66 LYS HG2 H 1.418 0.018 2
718 66 66 LYS HG3 H 1.461 0.004 2
719 66 66 LYS HD2 H 1.669 0.006 1
720 66 66 LYS HD3 H 1.669 0.006 1
721 66 66 LYS HE2 H 2.974 0.004 1
722 66 66 LYS HE3 H 2.974 0.004 1
723 66 66 LYS C C 174.122 . 1
724 66 66 LYS CA C 53.993 0.03 1
725 66 66 LYS CB C 32.534 0.021 1
726 66 66 LYS CG C 24.589 0.009 1
727 66 66 LYS CD C 29.030 0.038 1
728 66 66 LYS CE C 41.790 0.002 1
729 66 66 LYS N N 126.768 0.075 1
730 67 67 PRO HA H 4.451 0.005 1
731 67 67 PRO HB2 H 1.890 0.008 2
732 67 67 PRO HB3 H 2.278 0.001 2
733 67 67 PRO HG2 H 2.014 0.006 1
734 67 67 PRO HG3 H 2.014 0.006 1
735 67 67 PRO HD2 H 3.628 0.004 2
736 67 67 PRO HD3 H 3.832 0.005 2
737 67 67 PRO C C 176.980 . 1
738 67 67 PRO CA C 62.898 0.026 1
739 67 67 PRO CB C 32.100 0.027 1
740 67 67 PRO CG C 27.410 0.046 1
741 67 67 PRO CD C 50.664 0.016 1
742 68 68 ILE H H 8.268 0.003 1
743 68 68 ILE HA H 4.146 0.008 1
744 68 68 ILE HB H 1.858 0.007 1
745 68 68 ILE HG12 H 1.218 0.006 2
746 68 68 ILE HG13 H 1.501 0.005 2
747 68 68 ILE HG2 H 0.925 0.005 1
748 68 68 ILE HD1 H 0.871 0.005 1
749 68 68 ILE C C 176.360 0.001 1
750 68 68 ILE CA C 61.302 0.012 1
751 68 68 ILE CB C 38.794 0.031 1
752 68 68 ILE CG1 C 27.369 0.012 1
753 68 68 ILE CG2 C 17.551 0.036 1
754 68 68 ILE CD1 C 13.091 0.015 1
755 68 68 ILE N N 121.178 0.042 1
756 69 69 SER H H 8.316 0.003 1
757 69 69 SER HA H 4.560 0.002 1
758 69 69 SER HB2 H 3.856 0.002 1
759 69 69 SER HB3 H 3.856 0.002 1
760 69 69 SER C C 174.164 0.001 1
761 69 69 SER CA C 58.132 0.026 1
762 69 69 SER CB C 63.840 0.104 1
763 69 69 SER N N 119.278 0.03 1
764 70 70 GLN H H 8.386 0.006 1
765 70 70 GLN HA H 4.365 0.005 1
766 70 70 GLN HB2 H 1.962 0.006 2
767 70 70 GLN HB3 H 2.149 0.005 2
768 70 70 GLN HG2 H 2.363 0.008 1
769 70 70 GLN HG3 H 2.363 0.008 1
770 70 70 GLN C C 174.789 0.005 1
771 70 70 GLN CA C 55.807 0.016 1
772 70 70 GLN CB C 29.671 0.035 1
773 70 70 GLN CG C 33.779 0.028 1
774 70 70 GLN N N 123.265 0.031 1
775 71 71 LYS H H 8.003 0.008 1
776 71 71 LYS HA H 4.145 0.004 1
777 71 71 LYS HB2 H 1.706 0.003 2
778 71 71 LYS HB3 H 1.814 0.008 2
779 71 71 LYS HG2 H 1.391 0.004 1
780 71 71 LYS HG3 H 1.391 0.004 1
781 71 71 LYS HD2 H 1.667 0.004 1
782 71 71 LYS HD3 H 1.667 0.004 1
783 71 71 LYS HE2 H 2.981 0.002 1
784 71 71 LYS HE3 H 2.981 0.002 1
785 71 71 LYS C C 181.214 . 1
786 71 71 LYS CA C 57.751 0.028 1
787 71 71 LYS CB C 33.621 0.003 1
788 71 71 LYS CG C 24.746 0.026 1
789 71 71 LYS CD C 29.036 0.027 1
790 71 71 LYS CE C 41.968 0.081 1
791 71 71 LYS N N 128.125 0.048 1
stop_
save_