data_5315
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H, 13C and 15N chemical shift assignment for ribosome-associated factor Y
;
_BMRB_accession_number 5315
_BMRB_flat_file_name bmr5315.str
_Entry_type original
_Submission_date 2002-03-08
_Accession_date 2002-03-08
_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 Ye Keqiong . .
2 Serganov Alexander . .
3 Hu Weidong . .
4 Patel Dinshaw J. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
coupling_constants 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 674
"13C chemical shifts" 499
"15N chemical shifts" 120
"coupling constants" 75
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2003-02-20 original author .
stop_
_Original_release_date 2003-02-20
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Ribosome-associated Factor Y adopts a Fold resembling a
Double-stranded RNA Binding Domain Scaffold
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code 22280969
_PubMed_ID 12392550
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Ye Keqiong . .
2 Serganov Alexander . .
3 Hu Weidong . .
4 Patel Dinshaw J. .
stop_
_Journal_abbreviation 'Eur. J. Biochem.'
_Journal_volume 269
_Journal_issue 21
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 5182
_Page_last 5191
_Year 2002
_Details .
save_
##################################
# Molecular system description #
##################################
save_system_pY
_Saveframe_category molecular_system
_Mol_system_name 'Protein Yfia'
_Abbreviation_common pY
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Protein Yfia' $pY
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not present'
loop_
_Biological_function
'Ribosome associated factor'
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_pY
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Protein Yfia'
_Abbreviation_common pY
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 112
_Mol_residue_sequence
;
TMNITSKQMEITPAIRQHVA
DRLAKLEKWQTHLINPHIIL
SKEPQGFVADATINTPNGVL
VASGKHEDMYTAINELINKL
ERQLNKLQHKGEARRAATSV
KDANFVEEVEEE
;
loop_
_Residue_seq_code
_Residue_label
1 THR 2 MET 3 ASN 4 ILE 5 THR
6 SER 7 LYS 8 GLN 9 MET 10 GLU
11 ILE 12 THR 13 PRO 14 ALA 15 ILE
16 ARG 17 GLN 18 HIS 19 VAL 20 ALA
21 ASP 22 ARG 23 LEU 24 ALA 25 LYS
26 LEU 27 GLU 28 LYS 29 TRP 30 GLN
31 THR 32 HIS 33 LEU 34 ILE 35 ASN
36 PRO 37 HIS 38 ILE 39 ILE 40 LEU
41 SER 42 LYS 43 GLU 44 PRO 45 GLN
46 GLY 47 PHE 48 VAL 49 ALA 50 ASP
51 ALA 52 THR 53 ILE 54 ASN 55 THR
56 PRO 57 ASN 58 GLY 59 VAL 60 LEU
61 VAL 62 ALA 63 SER 64 GLY 65 LYS
66 HIS 67 GLU 68 ASP 69 MET 70 TYR
71 THR 72 ALA 73 ILE 74 ASN 75 GLU
76 LEU 77 ILE 78 ASN 79 LYS 80 LEU
81 GLU 82 ARG 83 GLN 84 LEU 85 ASN
86 LYS 87 LEU 88 GLN 89 HIS 90 LYS
91 GLY 92 GLU 93 ALA 94 ARG 95 ARG
96 ALA 97 ALA 98 THR 99 SER 100 VAL
101 LYS 102 ASP 103 ALA 104 ASN 105 PHE
106 VAL 107 GLU 108 GLU 109 VAL 110 GLU
111 GLU 112 GLU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
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
BMRB 5389 Yfia_monomer 100.00 113 100.00 100.00 2.79e-75
PDB 1L4S "Solution Structure Of Ribosome Associated Factor Y" 100.00 112 100.00 100.00 2.35e-75
PDB 1N3G "Solution Structure Of The Ribosome-Associated Cold Shock Response Protein Yfia Of Escherichia Coli" 100.00 113 100.00 100.00 2.79e-75
PDB 1VOQ "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " 80.36 90 100.00 100.00 1.50e-58
PDB 1VOS "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " 80.36 90 100.00 100.00 1.50e-58
PDB 1VOV "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " 80.36 90 100.00 100.00 1.50e-58
PDB 1VOX "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " 80.36 90 100.00 100.00 1.50e-58
PDB 1VOZ "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " 80.36 90 100.00 100.00 1.50e-58
PDB 3V2C "Crystal Structure Of Yfia Bound To The 70s Ribosome. This Pdb Entry Contains Coordinates For The 30s Subunit With Bound Yfia Of" 100.00 119 100.00 100.00 6.09e-75
PDB 3V2E "Crystal Structure Of Yfia Bound To The 70s Ribosome. This Pdb Entry Contains Coordinates For The 30s Subunit With Bound Yfia Of" 100.00 119 100.00 100.00 6.09e-75
DBJ BAA16481 "cold shock protein associated with 30S ribosomal subunit [Escherichia coli str. K-12 substr. W3110]" 100.00 113 100.00 100.00 2.79e-75
DBJ BAB36883 "putative yhbH sigma 54 modulator [Escherichia coli O157:H7 str. Sakai]" 100.00 113 100.00 100.00 2.79e-75
DBJ BAG78406 "putative sigma 54 modulation protein [Escherichia coli SE11]" 100.00 113 100.00 100.00 2.79e-75
DBJ BAI26837 "cold shock protein associated with 30S ribosomal subunit [Escherichia coli O26:H11 str. 11368]" 99.11 116 100.00 100.00 9.66e-75
DBJ BAI31922 "cold shock protein associated with 30S ribosomal subunit [Escherichia coli O103:H2 str. 12009]" 100.00 113 100.00 100.00 2.79e-75
EMBL CAA94436 "URF1 (ORFS54) [Escherichia coli K-12]" 100.00 113 100.00 100.00 2.79e-75
EMBL CAP77041 "ribosome-associated inhibitor A [Escherichia coli LF82]" 100.00 113 100.00 100.00 2.79e-75
EMBL CAQ32967 "stationary phase translation inhibitor and ribosome stability factor [Escherichia coli BL21(DE3)]" 100.00 113 100.00 100.00 2.79e-75
EMBL CAQ88030 "cold shock protein associated with 30S ribosomal subunit [Escherichia fergusonii ATCC 35469]" 100.00 114 97.32 99.11 3.22e-73
EMBL CAQ99546 "cold shock protein associated with 30S ribosomal subunit [Escherichia coli IAI1]" 100.00 113 100.00 100.00 2.79e-75
GB AAA24328 "12,785 MW protein (URF1) [Escherichia coli]" 100.00 113 100.00 100.00 2.79e-75
GB AAC75646 "cold shock protein associated with 30S ribosomal subunit [Escherichia coli str. K-12 substr. MG1655]" 100.00 113 100.00 100.00 2.79e-75
GB AAG57709 "putative yhbH sigma 54 modulator [Escherichia coli O157:H7 str. EDL933]" 100.00 113 100.00 100.00 2.79e-75
GB AAN44153 "putative yhbH sigma 54 modulator [Shigella flexneri 2a str. 301]" 100.00 113 100.00 100.00 2.79e-75
GB AAN81568 "Protein yfiA [Escherichia coli CFT073]" 100.00 113 100.00 100.00 2.79e-75
REF NP_289151 "translation inhibitor protein RaiA [Escherichia coli O157:H7 str. EDL933]" 100.00 113 100.00 100.00 2.79e-75
REF NP_311487 "translation inhibitor protein RaiA [Escherichia coli O157:H7 str. Sakai]" 100.00 113 100.00 100.00 2.79e-75
REF NP_417088 "cold shock protein associated with 30S ribosomal subunit [Escherichia coli str. K-12 substr. MG1655]" 100.00 113 100.00 100.00 2.79e-75
REF NP_708446 "translation inhibitor protein RaiA [Shigella flexneri 2a str. 301]" 100.00 113 100.00 100.00 2.79e-75
REF NP_755000 "translation inhibitor protein RaiA [Escherichia coli CFT073]" 100.00 113 100.00 100.00 2.79e-75
SP P0AD49 "RecName: Full=Ribosome-associated inhibitor A; AltName: Full=Protein Y; AltName: Full=SpotY; Short=pY [Escherichia coli K-12]" 100.00 113 100.00 100.00 2.79e-75
SP P0AD50 "RecName: Full=Ribosome-associated inhibitor A [Escherichia coli CFT073]" 100.00 113 100.00 100.00 2.79e-75
SP P0AD51 "RecName: Full=Ribosome-associated inhibitor A [Escherichia coli O157:H7]" 100.00 113 100.00 100.00 2.79e-75
SP P0AD52 "RecName: Full=Ribosome-associated inhibitor A [Shigella flexneri]" 100.00 113 100.00 100.00 2.79e-75
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$pY 'E. coli' 562 Eubacteria . Escherichia coli
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
$pY 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pET28b
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$pY 2 mM '[U-99% 15N]'
'sodium phosphate' 10 mM .
NaCl 50 mM .
D2O 7 % .
H2O 93 % .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$pY 1.5 mM '[U-99% 13C; U-99% 15N]'
'sodium phosphate' 10 mM .
NACL 50 mM .
D2O 7 % .
H2O 97 % .
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Saveframe_category software
_Name VNMR
_Version 6.1B
loop_
_Task
'data collection'
stop_
_Details Varian
save_
save_FELIX
_Saveframe_category software
_Name FELIX
_Version 98
loop_
_Task
'data processing'
stop_
_Details MSI
save_
save_NMRView
_Saveframe_category software
_Name NMRView
_Version 5.0
loop_
_Task
'data analysis'
stop_
_Details 'Johnson and Blevins.'
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version 1.0
loop_
_Task
'Structure Calculation'
stop_
_Details 'Brunger et al.'
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model UnityPlus
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-1H_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H NOESY'
_Sample_label .
save_
save_2D_1H-1H_TOCSY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H TOCSY'
_Sample_label .
save_
save_2D_1H-15N_HSQC_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label .
save_
save_2D_1H-13C_CT-HSQC_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C CT-HSQC'
_Sample_label .
save_
save_3D_CBCA(CO)NH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label .
save_
save_3D_HNCACB_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label .
save_
save_3D_HNCO_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label .
save_
save_3D_HN(CA)CO_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CA)CO'
_Sample_label .
save_
save_3D_1H-13C-1H_HCCH-TOCSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C-1H HCCH-TOCSY'
_Sample_label .
save_
save_3D_15N_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N NOESY'
_Sample_label .
save_
save_3D_15N_TOCSY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N TOCSY'
_Sample_label .
save_
save_3D_13C_NOESY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C NOESY'
_Sample_label .
save_
save_3D_H(CCO)NH_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label .
save_
save_3D_C(CO)NH_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label .
save_
save_3D_HNHA_15
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNHA'
_Sample_label .
save_
save_3D_HNHB_16
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNHB'
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C CT-HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CA)CO'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C-1H HCCH-TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_15
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNHA'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_16
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNHB'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_Ex-cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 5.7 0.1 n/a
temperature 304.5 1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_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 direct . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
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_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_2
stop_
_Sample_conditions_label $Ex-cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'Protein Yfia'
_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 THR HA H 3.856 0.01 1
2 . 1 THR CB C 69.580 0.2 1
3 . 1 THR HB H 4.099 0.01 1
4 . 1 THR CG2 C 21.817 0.2 1
5 . 1 THR HG2 H 1.284 0.01 1
6 . 2 MET CA C 55.626 0.2 1
7 . 2 MET HA H 4.625 0.01 1
8 . 2 MET CB C 33.869 0.2 1
9 . 2 MET HB2 H 1.999 0.01 1
10 . 2 MET HB3 H 1.999 0.01 1
11 . 2 MET CG C 31.835 0.2 1
12 . 2 MET HG2 H 2.362 0.01 1
13 . 2 MET HG3 H 2.362 0.01 1
14 . 2 MET CE C 17.744 0.2 1
15 . 2 MET HE H 2.038 0.01 1
16 . 2 MET C C 174.337 0.2 1
17 . 3 ASN N N 124.253 0.2 1
18 . 3 ASN H H 8.454 0.01 1
19 . 3 ASN CA C 52.836 0.2 1
20 . 3 ASN HA H 4.969 0.01 1
21 . 3 ASN CB C 40.461 0.2 1
22 . 3 ASN HB2 H 2.552 0.01 1
23 . 3 ASN HB3 H 2.552 0.01 1
24 . 3 ASN ND2 N 111.613 0.2 1
25 . 3 ASN HD21 H 7.200 0.01 1
26 . 3 ASN HD22 H 6.640 0.01 1
27 . 3 ASN C C 173.500 0.2 1
28 . 4 ILE N N 124.356 0.2 1
29 . 4 ILE H H 8.310 0.01 1
30 . 4 ILE CA C 59.787 0.2 1
31 . 4 ILE HA H 5.440 0.01 1
32 . 4 ILE CB C 40.754 0.2 1
33 . 4 ILE HB H 1.684 0.01 1
34 . 4 ILE CG1 C 28.169 0.2 1
35 . 4 ILE HG12 H 1.591 0.01 1
36 . 4 ILE HG13 H 1.591 0.01 1
37 . 4 ILE CD1 C 15.334 0.2 1
38 . 4 ILE HD1 H 0.877 0.01 1
39 . 4 ILE CG2 C 17.502 0.2 1
40 . 4 ILE HG2 H 0.864 0.01 1
41 . 4 ILE C C 174.817 0.2 1
42 . 5 THR N N 118.627 0.2 1
43 . 5 THR H H 8.902 0.01 1
44 . 5 THR CA C 60.385 0.2 1
45 . 5 THR HA H 4.875 0.01 1
46 . 5 THR CB C 72.460 0.2 1
47 . 5 THR HB H 4.331 0.01 1
48 . 5 THR CG2 C 21.941 0.2 1
49 . 5 THR HG2 H 1.220 0.01 1
50 . 5 THR C C 172.788 0.2 1
51 . 6 SER N N 112.502 0.2 1
52 . 6 SER H H 8.467 0.01 1
53 . 6 SER CA C 57.798 0.2 1
54 . 6 SER HA H 5.201 0.01 1
55 . 6 SER CB C 66.514 0.2 1
56 . 6 SER HB2 H 4.059 0.01 2
57 . 6 SER HB3 H 3.843 0.01 2
58 . 6 SER C C 174.770 0.2 1
59 . 7 LYS N N 123.409 0.2 1
60 . 7 LYS H H 8.989 0.01 1
61 . 7 LYS CA C 56.843 0.2 1
62 . 7 LYS HA H 4.618 0.01 1
63 . 7 LYS CB C 34.012 0.2 1
64 . 7 LYS HB2 H 1.795 0.01 1
65 . 7 LYS HB3 H 1.961 0.01 1
66 . 7 LYS CG C 25.455 0.2 1
67 . 7 LYS HG2 H 1.482 0.01 1
68 . 7 LYS HG3 H 1.482 0.01 1
69 . 7 LYS CD C 29.533 0.2 1
70 . 7 LYS HD2 H 1.722 0.01 1
71 . 7 LYS HD3 H 1.722 0.01 1
72 . 7 LYS CE C 41.084 0.2 1
73 . 7 LYS HE2 H 2.989 0.01 1
74 . 7 LYS HE3 H 2.989 0.01 1
75 . 7 LYS C C 176.690 0.2 1
76 . 8 GLN N N 116.450 0.2 1
77 . 8 GLN H H 8.507 0.01 1
78 . 8 GLN CA C 57.277 0.2 1
79 . 8 GLN HA H 4.321 0.01 1
80 . 8 GLN CB C 30.452 0.2 1
81 . 8 GLN HB2 H 2.337 0.01 2
82 . 8 GLN HB3 H 2.143 0.01 2
83 . 8 GLN CG C 35.096 0.2 1
84 . 8 GLN HG2 H 2.322 0.01 2
85 . 8 GLN HG3 H 2.477 0.01 2
86 . 8 GLN NE2 N 111.694 0.2 1
87 . 8 GLN HE21 H 7.565 0.01 1
88 . 8 GLN HE22 H 6.998 0.01 1
89 . 8 GLN C C 174.407 0.2 1
90 . 9 MET N N 114.254 0.2 1
91 . 9 MET H H 7.567 0.01 1
92 . 9 MET CA C 54.932 0.2 1
93 . 9 MET HA H 4.698 0.01 1
94 . 9 MET CB C 35.278 0.2 1
95 . 9 MET HB2 H 2.090 0.01 2
96 . 9 MET HB3 H 2.170 0.01 2
97 . 9 MET CG C 30.688 0.2 1
98 . 9 MET HG2 H 2.586 0.01 1
99 . 9 MET HG3 H 2.586 0.01 1
100 . 9 MET CE C 17.750 0.2 1
101 . 9 MET HE H 2.016 0.01 1
102 . 9 MET C C 174.188 0.2 1
103 . 10 GLU N N 121.672 0.2 1
104 . 10 GLU H H 8.461 0.01 1
105 . 10 GLU CA C 55.924 0.2 1
106 . 10 GLU HA H 4.374 0.01 1
107 . 10 GLU CB C 31.018 0.2 1
108 . 10 GLU HB2 H 1.915 0.01 1
109 . 10 GLU HB3 H 1.915 0.01 1
110 . 10 GLU CG C 36.333 0.2 1
111 . 10 GLU HG2 H 2.117 0.01 2
112 . 10 GLU HG3 H 2.263 0.01 2
113 . 10 GLU C C 175.997 0.2 1
114 . 11 ILE N N 124.500 0.2 1
115 . 11 ILE H H 8.788 0.01 1
116 . 11 ILE CA C 59.609 0.2 1
117 . 11 ILE HA H 4.097 0.01 1
118 . 11 ILE CB C 35.605 0.2 1
119 . 11 ILE HB H 2.150 0.01 1
120 . 11 ILE CG1 C 26.273 0.2 1
121 . 11 ILE HG12 H 1.574 0.01 2
122 . 11 ILE HG13 H 1.378 0.01 2
123 . 11 ILE CD1 C 11.204 0.2 1
124 . 11 ILE HD1 H 0.671 0.01 1
125 . 11 ILE CG2 C 18.095 0.2 1
126 . 11 ILE HG2 H 0.836 0.01 1
127 . 11 ILE C C 175.662 0.2 1
128 . 12 THR N N 117.830 0.2 1
129 . 12 THR H H 6.712 0.01 1
130 . 12 THR CA C 59.466 0.2 1
131 . 12 THR HA H 4.814 0.01 1
132 . 12 THR CB C 68.892 0.2 1
133 . 12 THR HB H 4.769 0.01 1
134 . 12 THR CG2 C 22.418 0.2 1
135 . 12 THR HG2 H 1.297 0.01 1
136 . 12 THR C C 173.651 0.2 1
137 . 13 PRO CA C 66.063 0.2 1
138 . 13 PRO HA H 4.246 0.01 1
139 . 13 PRO CB C 32.045 0.2 1
140 . 13 PRO HB2 H 1.998 0.01 1
141 . 13 PRO HB3 H 2.453 0.01 1
142 . 13 PRO CG C 28.309 0.2 1
143 . 13 PRO HG2 H 2.265 0.01 1
144 . 13 PRO HG3 H 2.265 0.01 1
145 . 13 PRO CD C 50.832 0.2 1
146 . 13 PRO HD2 H 3.965 0.01 1
147 . 13 PRO HD3 H 3.965 0.01 1
148 . 13 PRO C C 178.910 0.2 1
149 . 14 ALA N N 118.285 0.2 1
150 . 14 ALA H H 8.020 0.01 1
151 . 14 ALA CA C 55.539 0.2 1
152 . 14 ALA HA H 4.189 0.01 1
153 . 14 ALA CB C 18.820 0.2 1
154 . 14 ALA HB H 1.452 0.01 1
155 . 14 ALA C C 180.932 0.2 1
156 . 15 ILE N N 120.043 0.2 1
157 . 15 ILE H H 7.560 0.01 1
158 . 15 ILE CA C 65.700 0.2 1
159 . 15 ILE HA H 3.760 0.01 1
160 . 15 ILE CB C 38.783 0.2 1
161 . 15 ILE HB H 1.865 0.01 1
162 . 15 ILE CG1 C 30.858 0.2 1
163 . 15 ILE HG12 H 1.776 0.01 1
164 . 15 ILE HG13 H 1.776 0.01 1
165 . 15 ILE CD1 C 14.531 0.2 1
166 . 15 ILE HD1 H 0.910 0.01 1
167 . 15 ILE CG2 C 17.809 0.2 1
168 . 15 ILE HG2 H 0.790 0.01 1
169 . 15 ILE C C 177.682 0.2 1
170 . 16 ARG N N 118.552 0.2 1
171 . 16 ARG H H 8.028 0.01 1
172 . 16 ARG CA C 60.886 0.2 1
173 . 16 ARG HA H 3.669 0.01 1
174 . 16 ARG CB C 30.244 0.2 1
175 . 16 ARG HB2 H 1.844 0.01 1
176 . 16 ARG HB3 H 1.844 0.01 1
177 . 16 ARG CG C 28.801 0.2 1
178 . 16 ARG HG2 H 1.671 0.01 2
179 . 16 ARG HG3 H 1.462 0.01 2
180 . 16 ARG CD C 43.463 0.2 1
181 . 16 ARG HD2 H 3.293 0.01 2
182 . 16 ARG HD3 H 3.188 0.01 2
183 . 16 ARG NE N 84.489 0.2 1
184 . 16 ARG HE H 7.481 0.01 1
185 . 16 ARG C C 178.469 0.2 1
186 . 17 GLN N N 117.905 0.2 1
187 . 17 GLN H H 8.477 0.01 1
188 . 17 GLN CA C 58.461 0.2 1
189 . 17 GLN HA H 3.950 0.01 1
190 . 17 GLN CB C 28.753 0.2 1
191 . 17 GLN HB2 H 2.205 0.01 1
192 . 17 GLN HB3 H 2.096 0.01 1
193 . 17 GLN CG C 33.875 0.2 1
194 . 17 GLN HG2 H 2.424 0.01 1
195 . 17 GLN HG3 H 2.424 0.01 1
196 . 17 GLN NE2 N 114.617 0.2 1
197 . 17 GLN HE21 H 7.770 0.01 1
198 . 17 GLN HE22 H 6.814 0.01 1
199 . 17 GLN C C 177.434 0.2 1
200 . 18 HIS N N 118.907 0.2 1
201 . 18 HIS H H 7.969 0.01 1
202 . 18 HIS CA C 60.424 0.2 1
203 . 18 HIS HA H 4.249 0.01 1
204 . 18 HIS CB C 30.748 0.2 1
205 . 18 HIS HB2 H 3.223 0.01 1
206 . 18 HIS HB3 H 3.223 0.01 1
207 . 18 HIS CD2 C 118.116 0.2 1
208 . 18 HIS HD2 H 6.472 0.01 1
209 . 18 HIS CE1 C 138.809 0.2 1
210 . 18 HIS HE1 H 7.936 0.01 1
211 . 18 HIS C C 177.988 0.2 1
212 . 19 VAL N N 116.780 0.2 1
213 . 19 VAL H H 8.156 0.01 1
214 . 19 VAL CA C 67.518 0.2 1
215 . 19 VAL HA H 3.260 0.01 1
216 . 19 VAL CB C 31.833 0.2 1
217 . 19 VAL HB H 2.148 0.01 1
218 . 19 VAL CG2 C 23.824 0.2 1
219 . 19 VAL HG2 H 1.085 0.01 1
220 . 19 VAL CG1 C 22.659 0.2 1
221 . 19 VAL HG1 H 0.855 0.01 1
222 . 19 VAL C C 177.147 0.2 1
223 . 20 ALA N N 121.436 0.2 1
224 . 20 ALA H H 8.272 0.01 1
225 . 20 ALA CA C 56.056 0.2 1
226 . 20 ALA HA H 3.910 0.01 1
227 . 20 ALA CB C 18.397 0.2 1
228 . 20 ALA HB H 1.479 0.01 1
229 . 20 ALA C C 180.711 0.2 1
230 . 21 ASP N N 118.717 0.2 1
231 . 21 ASP H H 8.531 0.01 1
232 . 21 ASP CA C 57.428 0.2 1
233 . 21 ASP HA H 4.329 0.01 1
234 . 21 ASP CB C 40.891 0.2 1
235 . 21 ASP HB2 H 2.559 0.01 1
236 . 21 ASP HB3 H 2.765 0.01 1
237 . 21 ASP C C 179.102 0.2 1
238 . 22 ARG N N 117.983 0.2 1
239 . 22 ARG H H 7.738 0.01 1
240 . 22 ARG CA C 57.514 0.2 1
241 . 22 ARG HA H 4.068 0.01 1
242 . 22 ARG CB C 29.457 0.2 1
243 . 22 ARG HB2 H 1.760 0.01 1
244 . 22 ARG HB3 H 1.760 0.01 1
245 . 22 ARG CG C 26.699 0.2 1
246 . 22 ARG HG2 H 1.523 0.01 2
247 . 22 ARG HG3 H 1.439 0.01 2
248 . 22 ARG CD C 42.467 0.2 1
249 . 22 ARG HD2 H 3.001 0.01 1
250 . 22 ARG HD3 H 3.001 0.01 1
251 . 22 ARG NE N 83.883 0.2 1
252 . 22 ARG HE H 7.209 0.01 1
253 . 22 ARG C C 179.696 0.2 1
254 . 23 LEU N N 119.677 0.2 1
255 . 23 LEU H H 8.471 0.01 1
256 . 23 LEU CA C 57.594 0.2 1
257 . 23 LEU HA H 3.959 0.01 1
258 . 23 LEU CB C 41.657 0.2 1
259 . 23 LEU HB2 H 1.396 0.01 2
260 . 23 LEU HB3 H 1.767 0.01 2
261 . 23 LEU CG C 27.160 0.2 1
262 . 23 LEU HG H 1.738 0.01 1
263 . 23 LEU CD1 C 26.316 0.2 1
264 . 23 LEU HD1 H 0.718 0.01 1
265 . 23 LEU CD2 C 23.593 0.2 1
266 . 23 LEU HD2 H 0.667 0.01 1
267 . 23 LEU C C 179.214 0.2 1
268 . 24 ALA N N 120.787 0.2 1
269 . 24 ALA H H 7.786 0.01 1
270 . 24 ALA CA C 54.812 0.2 1
271 . 24 ALA HA H 4.117 0.01 1
272 . 24 ALA CB C 18.361 0.2 1
273 . 24 ALA HB H 1.508 0.01 1
274 . 24 ALA C C 179.881 0.2 1
275 . 25 LYS N N 115.677 0.2 1
276 . 25 LYS H H 7.239 0.01 1
277 . 25 LYS CA C 57.890 0.2 1
278 . 25 LYS HA H 4.142 0.01 1
279 . 25 LYS CB C 32.462 0.2 1
280 . 25 LYS HB2 H 1.876 0.01 2
281 . 25 LYS HB3 H 1.955 0.01 2
282 . 25 LYS CG C 25.364 0.2 1
283 . 25 LYS HG2 H 1.568 0.01 1
284 . 25 LYS HG3 H 1.568 0.01 1
285 . 25 LYS CD C 29.147 0.2 1
286 . 25 LYS HD2 H 1.673 0.01 1
287 . 25 LYS HD3 H 1.673 0.01 1
288 . 25 LYS CE C 42.237 0.2 1
289 . 25 LYS C C 178.147 0.2 1
290 . 26 LEU N N 118.881 0.2 1
291 . 26 LEU H H 7.621 0.01 1
292 . 26 LEU CA C 55.691 0.2 1
293 . 26 LEU HA H 4.430 0.01 1
294 . 26 LEU CB C 41.308 0.2 1
295 . 26 LEU HB2 H 1.662 0.01 2
296 . 26 LEU HB3 H 1.940 0.01 2
297 . 26 LEU CG C 27.779 0.2 1
298 . 26 LEU HG H 1.800 0.01 1
299 . 26 LEU CD1 C 26.111 0.2 1
300 . 26 LEU HD1 H 0.842 0.01 1
301 . 26 LEU CD2 C 23.786 0.2 1
302 . 26 LEU HD2 H 0.808 0.01 1
303 . 26 LEU C C 177.961 0.2 1
304 . 27 GLU N N 120.364 0.2 1
305 . 27 GLU H H 7.818 0.01 1
306 . 27 GLU CA C 58.696 0.2 1
307 . 27 GLU HA H 4.117 0.01 1
308 . 27 GLU CB C 30.003 0.2 1
309 . 27 GLU HB2 H 2.020 0.01 2
310 . 27 GLU HB3 H 2.079 0.01 2
311 . 27 GLU HG2 H 2.272 0.01 2
312 . 27 GLU HG3 H 2.372 0.01 2
313 . 27 GLU C C 177.730 0.2 1
314 . 28 LYS H H 7.942 0.01 1
315 . 28 LYS CA C 57.963 0.2 1
316 . 28 LYS HA H 4.043 0.01 1
317 . 28 LYS CB C 32.005 0.2 1
318 . 28 LYS HB2 H 1.456 0.01 2
319 . 28 LYS HB3 H 1.519 0.01 2
320 . 28 LYS CG C 24.533 0.2 1
321 . 28 LYS HG2 H 1.052 0.01 2
322 . 28 LYS HG3 H 0.892 0.01 2
323 . 28 LYS CD C 29.319 0.2 1
324 . 28 LYS HD2 H 1.413 0.01 1
325 . 28 LYS HD3 H 1.413 0.01 1
326 . 28 LYS CE C 42.208 0.2 1
327 . 28 LYS HE2 H 2.717 0.01 1
328 . 28 LYS HE3 H 2.717 0.01 1
329 . 28 LYS C C 177.300 0.2 1
330 . 29 TRP N N 118.349 0.2 1
331 . 29 TRP H H 7.699 0.01 1
332 . 29 TRP CA C 58.003 0.2 1
333 . 29 TRP HA H 4.670 0.01 1
334 . 29 TRP CB C 29.783 0.2 1
335 . 29 TRP HB2 H 3.193 0.01 1
336 . 29 TRP HB3 H 3.476 0.01 1
337 . 29 TRP CD1 C 127.294 0.2 1
338 . 29 TRP HD1 H 7.273 0.01 1
339 . 29 TRP NE1 N 129.569 0.2 1
340 . 29 TRP HE1 H 10.450 0.01 1
341 . 29 TRP CZ2 C 114.752 0.2 1
342 . 29 TRP HZ2 H 7.449 0.01 1
343 . 29 TRP CH2 C 124.655 0.2 1
344 . 29 TRP HH2 H 7.140 0.01 1
345 . 29 TRP CZ3 C 121.842 0.2 1
346 . 29 TRP HZ3 H 6.989 0.01 1
347 . 29 TRP CE3 C 120.866 0.2 1
348 . 29 TRP HE3 H 7.474 0.01 1
349 . 29 TRP C C 176.769 0.2 1
350 . 30 GLN N N 117.710 0.2 1
351 . 30 GLN H H 7.942 0.01 1
352 . 30 GLN CA C 57.950 0.2 1
353 . 30 GLN HA H 4.007 0.01 1
354 . 30 GLN CB C 28.533 0.2 1
355 . 30 GLN HB2 H 2.104 0.01 1
356 . 30 GLN HB3 H 2.104 0.01 1
357 . 30 GLN CG C 33.989 0.2 1
358 . 30 GLN HG2 H 2.716 0.01 1
359 . 30 GLN HG3 H 2.716 0.01 1
360 . 30 GLN C C 176.472 0.2 1
361 . 31 THR N N 112.470 0.2 1
362 . 31 THR H H 7.952 0.01 1
363 . 31 THR CA C 63.191 0.2 1
364 . 31 THR HA H 4.209 0.01 1
365 . 31 THR CB C 69.636 0.2 1
366 . 31 THR HB H 4.112 0.01 1
367 . 31 THR CG2 C 21.905 0.2 1
368 . 31 THR HG2 H 1.147 0.01 1
369 . 31 THR C C 174.481 0.2 1
370 . 32 HIS CA C 56.550 0.2 1
371 . 32 HIS HA H 4.639 0.01 1
372 . 32 HIS CB C 30.500 0.2 1
373 . 32 HIS HB2 H 3.181 0.01 2
374 . 32 HIS HB3 H 3.115 0.01 2
375 . 32 HIS CD2 C 119.486 0.2 1
376 . 32 HIS HD2 H 7.128 0.01 1
377 . 32 HIS CE1 C 137.782 0.2 1
378 . 32 HIS HE1 H 8.251 0.01 1
379 . 32 HIS C C 173.800 0.2 1
380 . 33 LEU N N 121.040 0.2 1
381 . 33 LEU H H 8.006 0.01 1
382 . 33 LEU CA C 54.367 0.2 1
383 . 33 LEU HA H 4.448 0.01 1
384 . 33 LEU CB C 41.708 0.2 1
385 . 33 LEU HB2 H 1.277 0.01 2
386 . 33 LEU HB3 H 1.871 0.01 2
387 . 33 LEU HG H 1.810 0.01 1
388 . 33 LEU CD1 C 26.464 0.2 1
389 . 33 LEU HD1 H 0.897 0.01 1
390 . 33 LEU CD2 C 23.615 0.2 1
391 . 33 LEU HD2 H 0.772 0.01 1
392 . 34 ILE N N 122.700 0.2 1
393 . 34 ILE H H 8.180 0.01 1
394 . 34 ILE CA C 61.378 0.2 1
395 . 34 ILE HA H 4.068 0.01 1
396 . 34 ILE CB C 39.004 0.2 1
397 . 34 ILE HB H 1.671 0.01 1
398 . 34 ILE CG1 C 27.392 0.2 1
399 . 34 ILE HG12 H 1.387 0.01 2
400 . 34 ILE HG13 H 0.968 0.01 2
401 . 34 ILE CD1 C 13.389 0.2 1
402 . 34 ILE HD1 H 0.681 0.01 1
403 . 34 ILE CG2 C 17.850 0.2 1
404 . 34 ILE HG2 H 0.847 0.01 1
405 . 34 ILE C C 175.096 0.2 1
406 . 35 ASN N N 122.026 0.2 1
407 . 35 ASN H H 8.782 0.01 1
408 . 35 ASN CA C 53.062 0.2 1
409 . 35 ASN HA H 4.794 0.01 1
410 . 35 ASN CB C 38.913 0.2 1
411 . 35 ASN HB2 H 2.803 0.01 1
412 . 35 ASN HB3 H 2.924 0.01 1
413 . 35 ASN C C 172.388 0.2 1
414 . 36 PRO CA C 64.110 0.2 1
415 . 36 PRO HA H 4.560 0.01 1
416 . 36 PRO CB C 32.443 0.2 1
417 . 36 PRO HB2 H 1.743 0.01 1
418 . 36 PRO HB3 H 1.895 0.01 1
419 . 36 PRO CG C 28.145 0.2 1
420 . 36 PRO HG2 H 1.846 0.01 2
421 . 36 PRO HG3 H 2.128 0.01 2
422 . 36 PRO CD C 50.457 0.2 1
423 . 36 PRO HD2 H 3.751 0.01 2
424 . 36 PRO HD3 H 3.553 0.01 2
425 . 36 PRO C C 175.824 0.2 1
426 . 37 HIS N N 122.188 0.2 1
427 . 37 HIS H H 8.540 0.01 1
428 . 37 HIS CA C 54.151 0.2 1
429 . 37 HIS HA H 5.570 0.01 1
430 . 37 HIS CB C 31.020 0.2 1
431 . 37 HIS HB2 H 3.326 0.01 2
432 . 37 HIS HB3 H 3.181 0.01 2
433 . 37 HIS CD2 C 119.732 0.2 1
434 . 37 HIS HD2 H 7.141 0.01 1
435 . 37 HIS CE1 C 137.210 0.2 1
436 . 37 HIS HE1 H 8.268 0.01 1
437 . 37 HIS C C 174.005 0.2 1
438 . 38 ILE N N 127.163 0.2 1
439 . 38 ILE H H 8.927 0.01 1
440 . 38 ILE CA C 59.629 0.2 1
441 . 38 ILE HA H 5.069 0.01 1
442 . 38 ILE CB C 40.426 0.2 1
443 . 38 ILE HB H 1.797 0.01 1
444 . 38 ILE CG1 C 28.799 0.2 1
445 . 38 ILE HG12 H 1.473 0.01 2
446 . 38 ILE HG13 H 1.153 0.01 2
447 . 38 ILE CD1 C 13.571 0.2 1
448 . 38 ILE HD1 H 0.753 0.01 1
449 . 38 ILE CG2 C 17.499 0.2 1
450 . 38 ILE HG2 H 0.813 0.01 1
451 . 38 ILE C C 174.136 0.2 1
452 . 39 ILE N N 127.777 0.2 1
453 . 39 ILE H H 9.183 0.01 1
454 . 39 ILE CA C 60.383 0.2 1
455 . 39 ILE HA H 4.929 0.01 1
456 . 39 ILE CB C 41.018 0.2 1
457 . 39 ILE HB H 1.696 0.01 1
458 . 39 ILE CG1 C 28.031 0.2 1
459 . 39 ILE HG12 H 0.833 0.01 2
460 . 39 ILE HG13 H 1.179 0.01 2
461 . 39 ILE CD1 C 14.277 0.2 1
462 . 39 ILE HD1 H 0.667 0.01 1
463 . 39 ILE CG2 C 18.381 0.2 1
464 . 39 ILE HG2 H 0.858 0.01 1
465 . 39 ILE C C 176.050 0.2 1
466 . 40 LEU N N 128.877 0.2 1
467 . 40 LEU H H 8.789 0.01 1
468 . 40 LEU CA C 53.457 0.2 1
469 . 40 LEU HA H 5.477 0.01 1
470 . 40 LEU CB C 45.407 0.2 1
471 . 40 LEU HB2 H 1.535 0.01 1
472 . 40 LEU HB3 H 1.656 0.01 1
473 . 40 LEU CG C 27.804 0.2 1
474 . 40 LEU HG H 1.656 0.01 1
475 . 40 LEU CD1 C 25.682 0.2 1
476 . 40 LEU HD1 H 0.827 0.01 1
477 . 40 LEU CD2 C 24.970 0.2 1
478 . 40 LEU HD2 H 0.822 0.01 1
479 . 40 LEU C C 176.081 0.2 1
480 . 41 SER N N 120.370 0.2 1
481 . 41 SER H H 9.607 0.01 1
482 . 41 SER CA C 57.540 0.2 1
483 . 41 SER HA H 5.131 0.01 1
484 . 41 SER CB C 65.888 0.2 1
485 . 41 SER HB2 H 3.839 0.01 2
486 . 41 SER HB3 H 3.749 0.01 2
487 . 41 SER C C 172.159 0.2 1
488 . 42 LYS N N 123.511 0.2 1
489 . 42 LYS H H 8.305 0.01 1
490 . 42 LYS CA C 55.707 0.2 1
491 . 42 LYS HA H 4.435 0.01 1
492 . 42 LYS CB C 34.915 0.2 1
493 . 42 LYS HB2 H 1.451 0.01 2
494 . 42 LYS HB3 H 1.709 0.01 2
495 . 42 LYS CG C 25.088 0.2 1
496 . 42 LYS HG2 H 1.007 0.01 2
497 . 42 LYS HG3 H 0.757 0.01 2
498 . 42 LYS CD C 28.914 0.2 1
499 . 42 LYS HD2 H 1.443 0.01 2
500 . 42 LYS HD3 H 1.200 0.01 2
501 . 42 LYS CE C 42.547 0.2 1
502 . 42 LYS HE2 H 2.762 0.01 1
503 . 42 LYS HE3 H 2.762 0.01 1
504 . 42 LYS C C 174.826 0.2 1
505 . 43 GLU N N 127.385 0.2 1
506 . 43 GLU H H 8.485 0.01 1
507 . 43 GLU CA C 54.248 0.2 1
508 . 43 GLU HA H 4.767 0.01 1
509 . 43 GLU CB C 30.260 0.2 1
510 . 43 GLU HB2 H 1.733 0.01 2
511 . 43 GLU HB3 H 2.187 0.01 2
512 . 43 GLU CG C 35.939 0.2 1
513 . 43 GLU HG2 H 2.089 0.01 1
514 . 43 GLU HG3 H 2.089 0.01 1
515 . 43 GLU C C 175.250 0.2 1
516 . 44 PRO CA C 66.541 0.2 1
517 . 44 PRO HA H 4.142 0.01 1
518 . 44 PRO CB C 31.924 0.2 1
519 . 44 PRO HB2 H 1.805 0.01 1
520 . 44 PRO HB3 H 2.341 0.01 1
521 . 44 PRO CG C 28.461 0.2 1
522 . 44 PRO HG2 H 1.951 0.01 2
523 . 44 PRO HG3 H 2.158 0.01 2
524 . 44 PRO CD C 50.724 0.2 1
525 . 44 PRO HD2 H 3.770 0.01 1
526 . 44 PRO HD3 H 3.770 0.01 1
527 . 44 PRO C C 178.089 0.2 1
528 . 45 GLN N N 110.882 0.2 1
529 . 45 GLN H H 8.054 0.01 1
530 . 45 GLN CA C 56.200 0.2 1
531 . 45 GLN HA H 4.330 0.01 1
532 . 45 GLN CB C 28.610 0.2 1
533 . 45 GLN HB2 H 1.927 0.01 2
534 . 45 GLN HB3 H 2.126 0.01 2
535 . 45 GLN CG C 34.263 0.2 1
536 . 45 GLN HG2 H 2.290 0.01 1
537 . 45 GLN HG3 H 2.290 0.01 1
538 . 45 GLN NE2 N 112.436 0.2 1
539 . 45 GLN HE21 H 7.490 0.01 1
540 . 45 GLN HE22 H 6.885 0.01 1
541 . 45 GLN C C 175.587 0.2 1
542 . 46 GLY N N 107.621 0.2 1
543 . 46 GLY H H 7.433 0.01 1
544 . 46 GLY CA C 45.794 0.2 1
545 . 46 GLY HA2 H 3.751 0.01 2
546 . 46 GLY HA3 H 4.191 0.01 2
547 . 46 GLY C C 171.343 0.2 1
548 . 47 PHE N N 118.332 0.2 1
549 . 47 PHE H H 8.607 0.01 1
550 . 47 PHE CA C 58.388 0.2 1
551 . 47 PHE HA H 5.050 0.01 1
552 . 47 PHE CB C 42.395 0.2 1
553 . 47 PHE HB2 H 2.849 0.01 2
554 . 47 PHE HB3 H 2.829 0.01 2
555 . 47 PHE CD1 C 131.979 0.2 1
556 . 47 PHE HD1 H 7.205 0.01 1
557 . 47 PHE CE1 C 131.952 0.2 1
558 . 47 PHE HE1 H 7.504 0.01 1
559 . 47 PHE CZ C 130.135 0.2 1
560 . 47 PHE HZ H 7.404 0.01 1
561 . 47 PHE CE2 C 131.952 0.2 1
562 . 47 PHE HE2 H 7.504 0.01 1
563 . 47 PHE CD2 C 131.979 0.2 1
564 . 47 PHE HD2 H 7.205 0.01 1
565 . 47 PHE C C 175.502 0.2 1
566 . 48 VAL N N 121.015 0.2 1
567 . 48 VAL H H 8.858 0.01 1
568 . 48 VAL CA C 61.510 0.2 1
569 . 48 VAL HA H 4.780 0.01 1
570 . 48 VAL CB C 34.969 0.2 1
571 . 48 VAL HB H 1.923 0.01 1
572 . 48 VAL CG2 C 21.552 0.2 1
573 . 48 VAL HG2 H 0.753 0.01 1
574 . 48 VAL CG1 C 22.102 0.2 1
575 . 48 VAL HG1 H 0.876 0.01 1
576 . 48 VAL C C 174.147 0.2 1
577 . 49 ALA N N 130.862 0.2 1
578 . 49 ALA H H 9.436 0.01 1
579 . 49 ALA CA C 49.964 0.2 1
580 . 49 ALA HA H 5.400 0.01 1
581 . 49 ALA CB C 21.846 0.2 1
582 . 49 ALA HB H 1.089 0.01 1
583 . 49 ALA C C 174.216 0.2 1
584 . 50 ASP N N 123.709 0.2 1
585 . 50 ASP H H 9.118 0.01 1
586 . 50 ASP CA C 53.840 0.2 1
587 . 50 ASP HA H 5.554 0.01 1
588 . 50 ASP CB C 45.975 0.2 1
589 . 50 ASP HB2 H 2.487 0.01 1
590 . 50 ASP HB3 H 2.726 0.01 1
591 . 50 ASP C C 175.266 0.2 1
592 . 51 ALA N N 119.812 0.2 1
593 . 51 ALA H H 8.746 0.01 1
594 . 51 ALA CA C 51.583 0.2 1
595 . 51 ALA HA H 5.518 0.01 1
596 . 51 ALA CB C 25.273 0.2 1
597 . 51 ALA HB H 1.324 0.01 1
598 . 51 ALA C C 176.374 0.2 1
599 . 52 THR N N 115.269 0.2 1
600 . 52 THR H H 8.433 0.01 1
601 . 52 THR CA C 61.909 0.2 1
602 . 52 THR HA H 5.174 0.01 1
603 . 52 THR CB C 71.413 0.2 1
604 . 52 THR HB H 3.990 0.01 1
605 . 52 THR CG2 C 21.831 0.2 1
606 . 52 THR HG2 H 1.145 0.01 1
607 . 52 THR C C 174.586 0.2 1
608 . 53 ILE N N 124.467 0.2 1
609 . 53 ILE H H 9.288 0.01 1
610 . 53 ILE CA C 60.543 0.2 1
611 . 53 ILE HA H 4.457 0.01 1
612 . 53 ILE CB C 42.057 0.2 1
613 . 53 ILE HB H 1.799 0.01 1
614 . 53 ILE CG1 C 27.297 0.2 1
615 . 53 ILE HG12 H 1.513 0.01 2
616 . 53 ILE HG13 H 0.989 0.01 2
617 . 53 ILE CD1 C 14.934 0.2 1
618 . 53 ILE HD1 H 0.762 0.01 1
619 . 53 ILE CG2 C 18.706 0.2 1
620 . 53 ILE HG2 H 0.907 0.01 1
621 . 53 ILE C C 174.162 0.2 1
622 . 54 ASN N N 126.219 0.2 1
623 . 54 ASN H H 8.712 0.01 1
624 . 54 ASN CA C 54.304 0.2 1
625 . 54 ASN HA H 4.933 0.01 1
626 . 54 ASN CB C 39.654 0.2 1
627 . 54 ASN HB2 H 2.768 0.01 1
628 . 54 ASN HB3 H 2.768 0.01 1
629 . 54 ASN ND2 N 111.537 0.2 1
630 . 54 ASN HD21 H 7.408 0.01 1
631 . 54 ASN HD22 H 6.805 0.01 1
632 . 54 ASN C C 173.834 0.2 1
633 . 55 THR N N 114.324 0.2 1
634 . 55 THR H H 7.838 0.01 1
635 . 55 THR CA C 60.232 0.2 1
636 . 55 THR HA H 5.279 0.01 1
637 . 55 THR CB C 70.421 0.2 1
638 . 55 THR HB H 4.502 0.01 1
639 . 55 THR CG2 C 21.889 0.2 1
640 . 55 THR HG2 H 1.219 0.01 1
641 . 55 THR C C 174.405 0.2 1
642 . 56 PRO CA C 65.005 0.2 1
643 . 56 PRO HA H 4.434 0.01 1
644 . 56 PRO CB C 32.366 0.2 1
645 . 56 PRO HB2 H 1.812 0.01 1
646 . 56 PRO HB3 H 2.477 0.01 1
647 . 56 PRO CG C 28.316 0.2 1
648 . 56 PRO HG2 H 1.957 0.01 2
649 . 56 PRO HG3 H 2.051 0.01 2
650 . 56 PRO CD C 51.328 0.2 1
651 . 56 PRO HD2 H 3.690 0.01 1
652 . 56 PRO HD3 H 4.051 0.01 1
653 . 56 PRO C C 176.564 0.2 1
654 . 57 ASN N N 112.251 0.2 1
655 . 57 ASN H H 7.865 0.01 1
656 . 57 ASN CA C 52.780 0.2 1
657 . 57 ASN HA H 4.981 0.01 1
658 . 57 ASN CB C 40.509 0.2 1
659 . 57 ASN HB2 H 2.431 0.01 1
660 . 57 ASN HB3 H 2.998 0.01 1
661 . 57 ASN ND2 N 112.539 0.2 1
662 . 57 ASN HD21 H 7.616 0.01 1
663 . 57 ASN HD22 H 6.980 0.01 1
664 . 57 ASN C C 174.031 0.2 1
665 . 58 GLY N N 108.351 0.2 1
666 . 58 GLY H H 7.461 0.01 1
667 . 58 GLY CA C 44.690 0.2 1
668 . 58 GLY HA2 H 3.904 0.01 2
669 . 58 GLY HA3 H 4.502 0.01 2
670 . 58 GLY C C 173.403 0.2 1
671 . 59 VAL N N 121.467 0.2 1
672 . 59 VAL H H 8.452 0.01 1
673 . 59 VAL CA C 62.636 0.2 1
674 . 59 VAL HA H 4.593 0.01 1
675 . 59 VAL CB C 33.573 0.2 1
676 . 59 VAL HB H 1.958 0.01 1
677 . 59 VAL CG2 C 21.957 0.2 1
678 . 59 VAL HG2 H 0.972 0.01 1
679 . 59 VAL CG1 C 21.595 0.2 1
680 . 59 VAL HG1 H 0.855 0.01 1
681 . 59 VAL C C 175.638 0.2 1
682 . 60 LEU N N 128.827 0.2 1
683 . 60 LEU H H 9.150 0.01 1
684 . 60 LEU CA C 54.030 0.2 1
685 . 60 LEU HA H 4.715 0.01 1
686 . 60 LEU CB C 44.293 0.2 1
687 . 60 LEU HB2 H 1.604 0.01 2
688 . 60 LEU HB3 H 1.399 0.01 2
689 . 60 LEU CG C 27.201 0.2 1
690 . 60 LEU HG H 1.622 0.01 1
691 . 60 LEU CD1 C 26.096 0.2 1
692 . 60 LEU HD1 H 0.752 0.01 1
693 . 60 LEU CD2 C 24.321 0.2 1
694 . 60 LEU HD2 H 0.757 0.01 1
695 . 60 LEU C C 175.280 0.2 1
696 . 61 VAL N N 120.806 0.2 1
697 . 61 VAL H H 8.263 0.01 1
698 . 61 VAL CA C 60.359 0.2 1
699 . 61 VAL HA H 5.098 0.01 1
700 . 61 VAL CB C 35.187 0.2 1
701 . 61 VAL HB H 1.990 0.01 1
702 . 61 VAL CG2 C 20.943 0.2 1
703 . 61 VAL HG2 H 0.921 0.01 1
704 . 61 VAL CG1 C 21.600 0.2 1
705 . 61 VAL HG1 H 0.921 0.01 1
706 . 61 VAL C C 175.630 0.2 1
707 . 62 ALA N N 125.287 0.2 1
708 . 62 ALA H H 8.413 0.01 1
709 . 62 ALA CA C 51.609 0.2 1
710 . 62 ALA HA H 4.738 0.01 1
711 . 62 ALA CB C 24.150 0.2 1
712 . 62 ALA HB H 1.296 0.01 1
713 . 62 ALA C C 174.719 0.2 1
714 . 63 SER N N 113.283 0.2 1
715 . 63 SER H H 7.986 0.01 1
716 . 63 SER CA C 57.408 0.2 1
717 . 63 SER HA H 5.656 0.01 1
718 . 63 SER CB C 66.357 0.2 1
719 . 63 SER HB2 H 3.646 0.01 1
720 . 63 SER HB3 H 3.646 0.01 1
721 . 63 SER C C 173.749 0.2 1
722 . 64 GLY N N 112.751 0.2 1
723 . 64 GLY H H 9.431 0.01 1
724 . 64 GLY CA C 44.528 0.2 1
725 . 64 GLY HA2 H 3.832 0.01 1
726 . 64 GLY HA3 H 4.703 0.01 1
727 . 64 GLY C C 171.615 0.2 1
728 . 65 LYS N N 121.847 0.2 1
729 . 65 LYS H H 8.458 0.01 1
730 . 65 LYS CA C 55.454 0.2 1
731 . 65 LYS HA H 5.576 0.01 1
732 . 65 LYS CB C 36.288 0.2 1
733 . 65 LYS HB2 H 1.788 0.01 1
734 . 65 LYS HB3 H 1.788 0.01 1
735 . 65 LYS CG C 25.018 0.2 1
736 . 65 LYS HG2 H 1.324 0.01 1
737 . 65 LYS HG3 H 1.324 0.01 1
738 . 65 LYS CD C 29.932 0.2 1
739 . 65 LYS HD2 H 1.573 0.01 1
740 . 65 LYS HD3 H 1.573 0.01 1
741 . 65 LYS CE C 42.418 0.2 1
742 . 65 LYS HE2 H 2.828 0.01 1
743 . 65 LYS HE3 H 2.828 0.01 1
744 . 65 LYS C C 175.299 0.2 1
745 . 66 HIS N N 122.627 0.2 1
746 . 66 HIS H H 8.607 0.01 1
747 . 66 HIS CA C 59.657 0.2 1
748 . 66 HIS HA H 4.374 0.01 1
749 . 66 HIS CB C 33.191 0.2 1
750 . 66 HIS HB2 H 3.212 0.01 1
751 . 66 HIS HB3 H 3.073 0.01 1
752 . 66 HIS CD2 C 118.854 0.2 1
753 . 66 HIS HD2 H 7.317 0.01 1
754 . 66 HIS CE1 C 137.570 0.2 1
755 . 66 HIS HE1 H 7.858 0.01 1
756 . 66 HIS C C 173.667 0.2 1
757 . 67 GLU N N 124.877 0.2 1
758 . 67 GLU H H 7.966 0.01 1
759 . 67 GLU CA C 60.240 0.2 1
760 . 67 GLU HA H 4.305 0.01 1
761 . 67 GLU CB C 30.039 0.2 1
762 . 67 GLU HB2 H 2.028 0.01 1
763 . 67 GLU HB3 H 2.028 0.01 1
764 . 67 GLU CG C 36.650 0.2 1
765 . 67 GLU HG2 H 2.324 0.01 1
766 . 67 GLU HG3 H 2.324 0.01 1
767 . 67 GLU C C 176.244 0.2 1
768 . 68 ASP N N 124.722 0.2 1
769 . 68 ASP H H 11.740 0.01 1
770 . 68 ASP CA C 53.464 0.2 1
771 . 68 ASP HA H 5.079 0.01 1
772 . 68 ASP CB C 43.963 0.2 1
773 . 68 ASP HB2 H 2.866 0.01 1
774 . 68 ASP HB3 H 3.146 0.01 1
775 . 68 ASP C C 176.246 0.2 1
776 . 69 MET N N 127.581 0.2 1
777 . 69 MET H H 8.353 0.01 1
778 . 69 MET CA C 60.305 0.2 1
779 . 69 MET HA H 3.140 0.01 1
780 . 69 MET CB C 32.629 0.2 1
781 . 69 MET HB2 H 0.303 0.01 1
782 . 69 MET HB3 H 1.068 0.01 1
783 . 69 MET CG C 30.596 0.2 1
784 . 69 MET HG2 H 1.508 0.01 2
785 . 69 MET HG3 H 1.624 0.01 2
786 . 69 MET CE C 17.179 0.2 1
787 . 69 MET HE H 1.448 0.01 1
788 . 69 MET C C 177.330 0.2 1
789 . 70 TYR N N 116.771 0.2 1
790 . 70 TYR H H 8.110 0.01 1
791 . 70 TYR CA C 61.880 0.2 1
792 . 70 TYR HA H 3.820 0.01 1
793 . 70 TYR CB C 36.250 0.2 1
794 . 70 TYR HB2 H 2.929 0.01 1
795 . 70 TYR HB3 H 2.604 0.01 1
796 . 70 TYR CD1 C 131.867 0.2 1
797 . 70 TYR HD1 H 6.598 0.01 1
798 . 70 TYR CE1 C 117.984 0.2 1
799 . 70 TYR HE1 H 6.426 0.01 1
800 . 70 TYR CE2 C 117.984 0.2 1
801 . 70 TYR HE2 H 6.426 0.01 1
802 . 70 TYR CD2 C 131.867 0.2 1
803 . 70 TYR HD2 H 6.598 0.01 1
804 . 70 TYR C C 178.650 0.2 1
805 . 71 THR N N 119.213 0.2 1
806 . 71 THR H H 8.126 0.01 1
807 . 71 THR CA C 67.329 0.2 1
808 . 71 THR HA H 3.792 0.01 1
809 . 71 THR CB C 68.072 0.2 1
810 . 71 THR HB H 3.867 0.01 1
811 . 71 THR CG2 C 20.914 0.2 1
812 . 71 THR HG2 H 0.518 0.01 1
813 . 71 THR C C 176.019 0.2 1
814 . 72 ALA N N 125.534 0.2 1
815 . 72 ALA H H 8.263 0.01 1
816 . 72 ALA CA C 56.659 0.2 1
817 . 72 ALA HA H 3.712 0.01 1
818 . 72 ALA CB C 17.664 0.2 1
819 . 72 ALA HB H 1.468 0.01 1
820 . 72 ALA C C 179.373 0.2 1
821 . 73 ILE N N 116.165 0.2 1
822 . 73 ILE H H 7.625 0.01 1
823 . 73 ILE CA C 65.502 0.2 1
824 . 73 ILE HA H 3.382 0.01 1
825 . 73 ILE CB C 38.315 0.2 1
826 . 73 ILE HB H 1.993 0.01 1
827 . 73 ILE CG1 C 29.990 0.2 1
828 . 73 ILE HG12 H 0.707 0.01 2
829 . 73 ILE HG13 H 1.828 0.01 2
830 . 73 ILE CD1 C 13.920 0.2 1
831 . 73 ILE HD1 H 0.710 0.01 1
832 . 73 ILE CG2 C 18.263 0.2 1
833 . 73 ILE HG2 H 0.885 0.01 1
834 . 73 ILE C C 176.990 0.2 1
835 . 74 ASN N N 120.539 0.2 1
836 . 74 ASN H H 8.471 0.01 1
837 . 74 ASN CA C 56.718 0.2 1
838 . 74 ASN HA H 4.269 0.01 1
839 . 74 ASN CB C 37.969 0.2 1
840 . 74 ASN HB2 H 2.894 0.01 2
841 . 74 ASN HB3 H 2.992 0.01 2
842 . 74 ASN C C 178.236 0.2 1
843 . 75 GLU N N 120.457 0.2 1
844 . 75 GLU H H 8.680 0.01 1
845 . 75 GLU CA C 59.464 0.2 1
846 . 75 GLU HA H 4.156 0.01 1
847 . 75 GLU CB C 29.776 0.2 1
848 . 75 GLU HB2 H 2.214 0.01 1
849 . 75 GLU HB3 H 2.214 0.01 1
850 . 75 GLU CG C 36.877 0.2 1
851 . 75 GLU HG2 H 2.440 0.01 1
852 . 75 GLU HG3 H 2.440 0.01 1
853 . 75 GLU C C 178.934 0.2 1
854 . 76 LEU N N 121.030 0.2 1
855 . 76 LEU H H 7.879 0.01 1
856 . 76 LEU CA C 58.880 0.2 1
857 . 76 LEU HA H 3.854 0.01 1
858 . 76 LEU CB C 41.055 0.2 1
859 . 76 LEU HB2 H 1.616 0.01 1
860 . 76 LEU HB3 H 2.365 0.01 1
861 . 76 LEU CG C 27.711 0.2 1
862 . 76 LEU HG H 1.309 0.01 1
863 . 76 LEU CD1 C 24.031 0.2 1
864 . 76 LEU HD1 H 0.865 0.01 1
865 . 76 LEU CD2 C 26.012 0.2 1
866 . 76 LEU HD2 H 0.744 0.01 1
867 . 76 LEU C C 177.895 0.2 1
868 . 77 ILE N N 118.047 0.2 1
869 . 77 ILE H H 8.198 0.01 1
870 . 77 ILE CA C 64.440 0.2 1
871 . 77 ILE HA H 3.527 0.01 1
872 . 77 ILE CB C 36.169 0.2 1
873 . 77 ILE HB H 2.065 0.01 1
874 . 77 ILE CG1 C 29.026 0.2 1
875 . 77 ILE HG12 H 1.462 0.01 1
876 . 77 ILE HG13 H 1.462 0.01 1
877 . 77 ILE CD1 C 11.470 0.2 1
878 . 77 ILE HD1 H 0.647 0.01 1
879 . 77 ILE CG2 C 18.389 0.2 1
880 . 77 ILE HG2 H 0.899 0.01 1
881 . 77 ILE C C 177.724 0.2 1
882 . 78 ASN N N 119.344 0.2 1
883 . 78 ASN H H 8.363 0.01 1
884 . 78 ASN CA C 56.590 0.2 1
885 . 78 ASN HA H 4.504 0.01 1
886 . 78 ASN CB C 38.383 0.2 1
887 . 78 ASN HB2 H 2.861 0.01 2
888 . 78 ASN HB3 H 3.033 0.01 2
889 . 78 ASN ND2 N 111.390 0.2 1
890 . 78 ASN HD21 H 7.585 0.01 1
891 . 78 ASN HD22 H 6.824 0.01 1
892 . 78 ASN C C 178.633 0.2 1
893 . 79 LYS N N 120.431 0.2 1
894 . 79 LYS H H 8.133 0.01 1
895 . 79 LYS CA C 60.339 0.2 1
896 . 79 LYS HA H 4.047 0.01 1
897 . 79 LYS CB C 33.191 0.2 1
898 . 79 LYS HB2 H 2.094 0.01 1
899 . 79 LYS HB3 H 1.938 0.01 1
900 . 79 LYS CG C 26.611 0.2 1
901 . 79 LYS HG2 H 1.833 0.01 2
902 . 79 LYS HG3 H 1.569 0.01 2
903 . 79 LYS CD C 30.104 0.2 1
904 . 79 LYS CE C 42.958 0.2 1
905 . 79 LYS HE2 H 3.154 0.01 1
906 . 79 LYS HE3 H 3.154 0.01 1
907 . 79 LYS C C 179.984 0.2 1
908 . 80 LEU N N 120.738 0.2 1
909 . 80 LEU H H 8.343 0.01 1
910 . 80 LEU CA C 58.359 0.2 1
911 . 80 LEU HA H 3.884 0.01 1
912 . 80 LEU CB C 42.394 0.2 1
913 . 80 LEU HB2 H 2.025 0.01 1
914 . 80 LEU HB3 H 1.189 0.01 1
915 . 80 LEU CG C 26.167 0.2 1
916 . 80 LEU HG H 1.760 0.01 1
917 . 80 LEU CD1 C 25.682 0.2 1
918 . 80 LEU HD1 H 0.632 0.01 1
919 . 80 LEU CD2 C 23.829 0.2 1
920 . 80 LEU HD2 H 0.621 0.01 1
921 . 80 LEU C C 178.452 0.2 1
922 . 81 GLU N N 119.485 0.2 1
923 . 81 GLU H H 8.633 0.01 1
924 . 81 GLU CA C 60.641 0.2 1
925 . 81 GLU HA H 3.584 0.01 1
926 . 81 GLU CB C 29.852 0.2 1
927 . 81 GLU HB2 H 2.225 0.01 2
928 . 81 GLU HB3 H 2.119 0.01 2
929 . 81 GLU CG C 36.951 0.2 1
930 . 81 GLU HG2 H 2.148 0.01 2
931 . 81 GLU HG3 H 2.323 0.01 2
932 . 81 GLU C C 178.426 0.2 1
933 . 82 ARG N N 117.614 0.2 1
934 . 82 ARG H H 7.725 0.01 1
935 . 82 ARG CA C 59.645 0.2 1
936 . 82 ARG HA H 4.070 0.01 1
937 . 82 ARG CB C 30.537 0.2 1
938 . 82 ARG HB2 H 1.992 0.01 1
939 . 82 ARG HB3 H 1.992 0.01 1
940 . 82 ARG CG C 28.013 0.2 1
941 . 82 ARG HG2 H 1.892 0.01 2
942 . 82 ARG HG3 H 1.727 0.01 2
943 . 82 ARG CD C 44.023 0.2 1
944 . 82 ARG HD2 H 3.270 0.01 1
945 . 82 ARG HD3 H 3.270 0.01 1
946 . 82 ARG C C 179.688 0.2 1
947 . 83 GLN N N 118.399 0.2 1
948 . 83 GLN H H 7.909 0.01 1
949 . 83 GLN CA C 59.099 0.2 1
950 . 83 GLN HA H 4.073 0.01 1
951 . 83 GLN CB C 29.800 0.2 1
952 . 83 GLN HB2 H 2.140 0.01 1
953 . 83 GLN HB3 H 2.140 0.01 1
954 . 83 GLN CG C 34.818 0.2 1
955 . 83 GLN HG2 H 2.435 0.01 2
956 . 83 GLN HG3 H 2.582 0.01 2
957 . 83 GLN NE2 N 109.047 0.2 1
958 . 83 GLN HE21 H 7.045 0.01 1
959 . 83 GLN HE22 H 7.045 0.01 1
960 . 83 GLN C C 178.954 0.2 1
961 . 84 LEU N N 121.230 0.2 1
962 . 84 LEU H H 8.425 0.01 1
963 . 84 LEU CA C 58.069 0.2 1
964 . 84 LEU HA H 3.810 0.01 1
965 . 84 LEU CB C 41.043 0.2 1
966 . 84 LEU HB2 H 1.380 0.01 1
967 . 84 LEU HB3 H 1.380 0.01 1
968 . 84 LEU CG C 27.063 0.2 1
969 . 84 LEU HG H 1.522 0.01 1
970 . 84 LEU CD1 C 25.724 0.2 1
971 . 84 LEU HD1 H 0.664 0.01 1
972 . 84 LEU CD2 C 24.483 0.2 1
973 . 84 LEU HD2 H 0.722 0.01 1
974 . 84 LEU C C 178.918 0.2 1
975 . 85 ASN N N 117.367 0.2 1
976 . 85 ASN H H 7.966 0.01 1
977 . 85 ASN CA C 56.125 0.2 1
978 . 85 ASN HA H 4.408 0.01 1
979 . 85 ASN CB C 39.004 0.2 1
980 . 85 ASN HB2 H 2.784 0.01 1
981 . 85 ASN HB3 H 2.784 0.01 1
982 . 85 ASN ND2 N 112.422 0.2 1
983 . 85 ASN HD21 H 7.490 0.01 1
984 . 85 ASN HD22 H 6.962 0.01 1
985 . 85 ASN C C 177.524 0.2 1
986 . 86 LYS N N 119.168 0.2 1
987 . 86 LYS H H 7.570 0.01 1
988 . 86 LYS CA C 58.761 0.2 1
989 . 86 LYS HA H 4.153 0.01 1
990 . 86 LYS CB C 32.780 0.2 1
991 . 86 LYS HB2 H 1.946 0.01 1
992 . 86 LYS HB3 H 1.946 0.01 1
993 . 86 LYS CG C 25.383 0.2 1
994 . 86 LYS HG2 H 1.610 0.01 2
995 . 86 LYS HG3 H 1.475 0.01 2
996 . 86 LYS CD C 29.701 0.2 1
997 . 86 LYS HD2 H 1.719 0.01 1
998 . 86 LYS HD3 H 1.719 0.01 1
999 . 86 LYS CE C 42.393 0.2 1
1000 . 86 LYS HE2 H 3.004 0.01 1
1001 . 86 LYS HE3 H 3.004 0.01 1
1002 . 86 LYS C C 178.659 0.2 1
1003 . 87 LEU N N 119.596 0.2 1
1004 . 87 LEU H H 7.816 0.01 1
1005 . 87 LEU CA C 56.939 0.2 1
1006 . 87 LEU HA H 4.149 0.01 1
1007 . 87 LEU CB C 42.529 0.2 1
1008 . 87 LEU HB2 H 1.584 0.01 2
1009 . 87 LEU HB3 H 1.809 0.01 2
1010 . 87 LEU CG C 26.810 0.2 1
1011 . 87 LEU HG H 1.782 0.01 1
1012 . 87 LEU CD1 C 25.585 0.2 1
1013 . 87 LEU HD1 H 0.851 0.01 1
1014 . 87 LEU CD2 C 23.675 0.2 1
1015 . 87 LEU HD2 H 0.852 0.01 1
1016 . 87 LEU C C 178.443 0.2 1
1017 . 88 GLN N N 117.647 0.2 1
1018 . 88 GLN H H 7.854 0.01 1
1019 . 88 GLN CA C 56.958 0.2 1
1020 . 88 GLN HA H 4.200 0.01 1
1021 . 88 GLN CB C 29.466 0.2 1
1022 . 88 GLN HB2 H 2.080 0.01 1
1023 . 88 GLN HB3 H 2.080 0.01 1
1024 . 88 GLN CG C 34.187 0.2 1
1025 . 88 GLN HG2 H 2.367 0.01 1
1026 . 88 GLN HG3 H 2.367 0.01 1
1027 . 88 GLN NE2 N 111.419 0.2 1
1028 . 88 GLN HE21 H 7.367 0.01 1
1029 . 88 GLN HE22 H 6.822 0.01 1
1030 . 88 GLN C C 176.466 0.2 1
1031 . 89 HIS N N 117.764 0.2 1
1032 . 89 HIS H H 8.025 0.01 1
1033 . 89 HIS CA C 56.211 0.2 1
1034 . 89 HIS HA H 4.664 0.01 1
1035 . 89 HIS CB C 29.250 0.2 1
1036 . 89 HIS HB2 H 3.178 0.01 2
1037 . 89 HIS HB3 H 3.310 0.01 2
1038 . 89 HIS CD2 C 120.440 0.2 1
1039 . 89 HIS HD2 H 7.312 0.01 1
1040 . 89 HIS CE1 C 136.922 0.2 1
1041 . 89 HIS HE1 H 8.433 0.01 1
1042 . 89 HIS C C 175.051 0.2 1
1043 . 90 LYS N N 122.073 0.2 1
1044 . 90 LYS H H 8.141 0.01 1
1045 . 90 LYS CA C 57.476 0.2 1
1046 . 90 LYS HA H 4.283 0.01 1
1047 . 90 LYS CB C 33.147 0.2 1
1048 . 90 LYS HB2 H 1.858 0.01 1
1049 . 90 LYS HB3 H 1.858 0.01 1
1050 . 90 LYS CG C 25.108 0.2 1
1051 . 90 LYS HG2 H 1.464 0.01 1
1052 . 90 LYS HG3 H 1.464 0.01 1
1053 . 90 LYS CD C 29.629 0.2 1
1054 . 90 LYS HD2 H 1.697 0.01 1
1055 . 90 LYS HD3 H 1.697 0.01 1
1056 . 90 LYS CE C 42.429 0.2 1
1057 . 90 LYS HE2 H 3.002 0.01 1
1058 . 90 LYS HE3 H 3.002 0.01 1
1059 . 90 LYS C C 177.404 0.2 1
1060 . 91 GLY N N 109.960 0.2 1
1061 . 91 GLY H H 8.446 0.01 1
1062 . 91 GLY CA C 45.805 0.2 1
1063 . 91 GLY HA2 H 3.969 0.01 1
1064 . 91 GLY HA3 H 3.969 0.01 1
1065 . 91 GLY C C 174.488 0.2 1
1066 . 92 GLU N N 120.709 0.2 1
1067 . 92 GLU H H 8.113 0.01 1
1068 . 92 GLU CA C 56.784 0.2 1
1069 . 92 GLU HA H 4.270 0.01 1
1070 . 92 GLU CB C 30.782 0.2 1
1071 . 92 GLU HB2 H 1.983 0.01 2
1072 . 92 GLU HB3 H 2.080 0.01 2
1073 . 92 GLU CG C 36.484 0.2 1
1074 . 92 GLU HG2 H 2.299 0.01 1
1075 . 92 GLU HG3 H 2.299 0.01 1
1076 . 92 GLU C C 176.668 0.2 1
1077 . 93 ALA N N 124.995 0.2 1
1078 . 93 ALA H H 8.311 0.01 1
1079 . 93 ALA CA C 53.065 0.2 1
1080 . 93 ALA HA H 4.294 0.01 1
1081 . 93 ALA CB C 19.387 0.2 1
1082 . 93 ALA HB H 1.389 0.01 1
1083 . 93 ALA C C 177.997 0.2 1
1084 . 94 ARG N N 120.209 0.2 1
1085 . 94 ARG H H 8.236 0.01 1
1086 . 94 ARG CA C 56.510 0.2 1
1087 . 94 ARG HA H 4.294 0.01 1
1088 . 94 ARG CB C 31.054 0.2 1
1089 . 94 ARG HB2 H 1.781 0.01 2
1090 . 94 ARG HB3 H 1.855 0.01 2
1091 . 94 ARG CG C 27.453 0.2 1
1092 . 94 ARG HG2 H 1.637 0.01 1
1093 . 94 ARG HG3 H 1.637 0.01 1
1094 . 94 ARG CD C 43.614 0.2 1
1095 . 94 ARG HD2 H 3.206 0.01 1
1096 . 94 ARG HD3 H 3.206 0.01 1
1097 . 94 ARG NE N 84.918 0.2 1
1098 . 94 ARG HE H 7.237 0.01 1
1099 . 94 ARG C C 176.569 0.2 1
1100 . 95 ARG N N 122.310 0.2 1
1101 . 95 ARG H H 8.273 0.01 1
1102 . 95 ARG CA C 56.437 0.2 1
1103 . 95 ARG HA H 4.327 0.01 1
1104 . 95 ARG CB C 31.195 0.2 1
1105 . 95 ARG HB2 H 1.771 0.01 2
1106 . 95 ARG HB3 H 1.857 0.01 2
1107 . 95 ARG CG C 27.460 0.2 1
1108 . 95 ARG HG2 H 1.644 0.01 1
1109 . 95 ARG HG3 H 1.644 0.01 1
1110 . 95 ARG CD C 43.625 0.2 1
1111 . 95 ARG HD2 H 3.205 0.01 1
1112 . 95 ARG HD3 H 3.205 0.01 1
1113 . 95 ARG NE N 84.918 0.2 1
1114 . 95 ARG HE H 7.237 0.01 1
1115 . 95 ARG C C 176.183 0.2 1
1116 . 96 ALA N N 125.227 0.2 1
1117 . 96 ALA H H 8.289 0.01 1
1118 . 96 ALA CA C 52.703 0.2 1
1119 . 96 ALA HA H 4.310 0.01 1
1120 . 96 ALA CB C 19.708 0.2 1
1121 . 96 ALA HB H 1.403 0.01 1
1122 . 96 ALA C C 177.640 0.2 1
1123 . 97 ALA N N 123.363 0.2 1
1124 . 97 ALA H H 8.286 0.01 1
1125 . 97 ALA CA C 52.978 0.2 1
1126 . 97 ALA HA H 4.360 0.01 1
1127 . 97 ALA CB C 19.591 0.2 1
1128 . 97 ALA HB H 1.427 0.01 1
1129 . 97 ALA C C 178.075 0.2 1
1130 . 98 THR N N 112.229 0.2 1
1131 . 98 THR H H 8.031 0.01 1
1132 . 98 THR CA C 61.981 0.2 1
1133 . 98 THR HA H 4.372 0.01 1
1134 . 98 THR CB C 70.053 0.2 1
1135 . 98 THR HB H 4.271 0.01 1
1136 . 98 THR CG2 C 21.917 0.2 1
1137 . 98 THR HG2 H 1.221 0.01 1
1138 . 98 THR C C 174.645 0.2 1
1139 . 99 SER N N 117.781 0.2 1
1140 . 99 SER H H 8.219 0.01 1
1141 . 99 SER CA C 58.466 0.2 1
1142 . 99 SER HA H 4.517 0.01 1
1143 . 99 SER CB C 64.247 0.2 1
1144 . 99 SER HB2 H 3.880 0.01 1
1145 . 99 SER HB3 H 3.880 0.01 1
1146 . 99 SER C C 174.607 0.2 1
1147 . 100 VAL N N 121.644 0.2 1
1148 . 100 VAL H H 8.072 0.01 1
1149 . 100 VAL CA C 62.784 0.2 1
1150 . 100 VAL HA H 4.089 0.01 1
1151 . 100 VAL CB C 32.880 0.2 1
1152 . 100 VAL HB H 2.082 0.01 1
1153 . 100 VAL CG2 C 20.795 0.2 1
1154 . 100 VAL HG2 H 0.922 0.01 1
1155 . 100 VAL CG1 C 21.542 0.2 1
1156 . 100 VAL HG1 H 0.922 0.01 1
1157 . 100 VAL C C 176.232 0.2 1
1158 . 101 LYS N N 124.331 0.2 1
1159 . 101 LYS H H 8.262 0.01 1
1160 . 101 LYS CA C 56.693 0.2 1
1161 . 101 LYS HA H 4.269 0.01 1
1162 . 101 LYS CB C 33.270 0.2 1
1163 . 101 LYS HB2 H 1.787 0.01 1
1164 . 101 LYS HB3 H 1.787 0.01 1
1165 . 101 LYS CG C 24.969 0.2 1
1166 . 101 LYS HG2 H 1.365 0.01 1
1167 . 101 LYS HG3 H 1.365 0.01 1
1168 . 101 LYS CD C 30.665 0.2 1
1169 . 101 LYS HD2 H 1.621 0.01 1
1170 . 101 LYS HD3 H 1.621 0.01 1
1171 . 101 LYS HE2 H 3.000 0.01 1
1172 . 101 LYS HE3 H 3.000 0.01 1
1173 . 101 LYS C C 176.297 0.2 1
1174 . 102 ASP N N 121.388 0.2 1
1175 . 102 ASP H H 8.156 0.01 1
1176 . 102 ASP CA C 54.610 0.2 1
1177 . 102 ASP HA H 4.564 0.01 1
1178 . 102 ASP CB C 41.722 0.2 1
1179 . 102 ASP HB2 H 2.655 0.01 2
1180 . 102 ASP HB3 H 2.732 0.01 2
1181 . 102 ASP C C 176.122 0.2 1
1182 . 103 ALA N N 124.123 0.2 1
1183 . 103 ALA H H 8.192 0.01 1
1184 . 103 ALA CA C 53.284 0.2 1
1185 . 103 ALA HA H 4.224 0.01 1
1186 . 103 ALA CB C 19.524 0.2 1
1187 . 103 ALA HB H 1.345 0.01 1
1188 . 103 ALA C C 177.527 0.2 1
1189 . 104 ASN N N 116.569 0.2 1
1190 . 104 ASN H H 8.349 0.01 1
1191 . 104 ASN CA C 53.561 0.2 1
1192 . 104 ASN HA H 4.650 0.01 1
1193 . 104 ASN CB C 39.273 0.2 1
1194 . 104 ASN HB2 H 2.710 0.01 1
1195 . 104 ASN HB3 H 2.710 0.01 1
1196 . 104 ASN ND2 N 113.336 0.2 1
1197 . 104 ASN HD21 H 6.854 0.01 2
1198 . 104 ASN HD22 H 7.596 0.01 2
1199 . 104 ASN C C 174.804 0.2 1
1200 . 105 PHE N N 120.680 0.2 1
1201 . 105 PHE H H 7.949 0.01 1
1202 . 105 PHE CA C 58.261 0.2 1
1203 . 105 PHE HA H 4.598 0.01 1
1204 . 105 PHE CB C 39.965 0.2 1
1205 . 105 PHE HB2 H 3.091 0.01 1
1206 . 105 PHE HB3 H 3.091 0.01 1
1207 . 105 PHE CD1 C 132.047 0.2 1
1208 . 105 PHE HD1 H 7.219 0.01 1
1209 . 105 PHE CE1 C 131.524 0.2 1
1210 . 105 PHE HE1 H 7.325 0.01 1
1211 . 105 PHE CZ C 129.914 0.2 1
1212 . 105 PHE HZ H 7.282 0.01 1
1213 . 105 PHE CE2 C 131.524 0.2 1
1214 . 105 PHE HE2 H 7.325 0.01 1
1215 . 105 PHE CD2 C 132.047 0.2 1
1216 . 105 PHE HD2 H 7.219 0.01 1
1217 . 105 PHE C C 175.264 0.2 1
1218 . 106 VAL N N 123.113 0.2 1
1219 . 106 VAL H H 7.896 0.01 1
1220 . 106 VAL CA C 62.262 0.2 1
1221 . 106 VAL HA H 4.040 0.01 1
1222 . 106 VAL CB C 33.444 0.2 1
1223 . 106 VAL HB H 1.981 0.01 1
1224 . 106 VAL CG2 C 20.971 0.2 1
1225 . 106 VAL HG2 H 0.879 0.01 1
1226 . 106 VAL CG1 C 21.439 0.2 1
1227 . 106 VAL HG1 H 0.879 0.01 1
1228 . 106 VAL C C 175.385 0.2 1
1229 . 107 GLU N N 124.642 0.2 1
1230 . 107 GLU H H 8.290 0.01 1
1231 . 107 GLU CA C 56.668 0.2 1
1232 . 107 GLU HA H 4.226 0.01 1
1233 . 107 GLU CB C 30.750 0.2 1
1234 . 107 GLU HB2 H 1.921 0.01 2
1235 . 107 GLU HB3 H 2.041 0.01 2
1236 . 107 GLU CG C 36.345 0.2 1
1237 . 107 GLU HG2 H 2.285 0.01 1
1238 . 107 GLU HG3 H 2.285 0.01 1
1239 . 107 GLU C C 176.135 0.2 1
1240 . 108 GLU N N 122.756 0.2 1
1241 . 108 GLU H H 8.384 0.01 1
1242 . 108 GLU CA C 56.536 0.2 1
1243 . 108 GLU HA H 4.336 0.01 1
1244 . 108 GLU CB C 30.667 0.2 1
1245 . 108 GLU HB2 H 2.034 0.01 2
1246 . 108 GLU HB3 H 1.927 0.01 2
1247 . 108 GLU CG C 36.281 0.2 1
1248 . 108 GLU HG2 H 2.267 0.01 1
1249 . 108 GLU HG3 H 2.267 0.01 1
1250 . 108 GLU C C 176.177 0.2 1
1251 . 109 VAL N N 121.475 0.2 1
1252 . 109 VAL H H 8.176 0.01 1
1253 . 109 VAL CA C 62.278 0.2 1
1254 . 109 VAL HA H 4.151 0.01 1
1255 . 109 VAL CB C 33.370 0.2 1
1256 . 109 VAL HB H 2.057 0.01 1
1257 . 109 VAL CG2 C 20.818 0.2 1
1258 . 109 VAL HG2 H 0.914 0.01 1
1259 . 109 VAL CG1 C 21.584 0.2 1
1260 . 109 VAL HG1 H 0.914 0.01 1
1261 . 109 VAL C C 175.989 0.2 1
1262 . 110 GLU N N 125.081 0.2 1
1263 . 110 GLU H H 8.461 0.01 1
1264 . 110 GLU CA C 56.567 0.2 1
1265 . 110 GLU HA H 4.365 0.01 1
1266 . 110 GLU CB C 30.750 0.2 1
1267 . 110 GLU HB2 H 2.052 0.01 2
1268 . 110 GLU HB3 H 1.928 0.01 2
1269 . 110 GLU CG C 36.345 0.2 1
1270 . 110 GLU HG2 H 2.282 0.01 1
1271 . 110 GLU HG3 H 2.282 0.01 1
1272 . 110 GLU C C 176.195 0.2 1
1273 . 111 GLU N N 122.972 0.2 1
1274 . 111 GLU H H 8.391 0.01 1
1275 . 111 GLU CA C 56.718 0.2 1
1276 . 111 GLU HA H 4.328 0.01 1
1277 . 111 GLU CB C 30.965 0.2 1
1278 . 111 GLU HB2 H 2.078 0.01 2
1279 . 111 GLU HB3 H 1.932 0.01 2
1280 . 111 GLU CG C 36.320 0.2 1
1281 . 111 GLU HG2 H 2.289 0.01 1
1282 . 111 GLU HG3 H 2.289 0.01 1
1283 . 111 GLU C C 175.521 0.2 1
1284 . 112 GLU N N 127.263 0.2 1
1285 . 112 GLU H H 8.037 0.01 1
1286 . 112 GLU CA C 58.274 0.2 1
1287 . 112 GLU HA H 4.127 0.01 1
1288 . 112 GLU CB C 31.096 0.2 1
1289 . 112 GLU HB2 H 2.059 0.01 2
1290 . 112 GLU HB3 H 1.913 0.01 2
1291 . 112 GLU HG2 H 2.250 0.01 1
1292 . 112 GLU HG3 H 2.250 0.01 1
1293 . 112 GLU C C 181.097 0.2 1
stop_
save_
########################
# Coupling constants #
########################
save_3JHNHA
_Saveframe_category coupling_constants
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $Ex-cond_1
_Spectrometer_frequency_1H 600
_Mol_system_component_name 'Protein Yfia'
_Text_data_format .
_Text_data .
loop_
_Coupling_constant_ID
_Coupling_constant_code
_Atom_one_residue_seq_code
_Atom_one_residue_label
_Atom_one_name
_Atom_two_residue_seq_code
_Atom_two_residue_label
_Atom_two_name
_Coupling_constant_value
_Coupling_constant_min_value
_Coupling_constant_max_value
_Coupling_constant_value_error
1 3JHNHA 3 ASN H 3 ASN HA 9.4 . . 0.1
2 3JHNHA 5 THR H 5 THR HA 10.1 . . 0.3
3 3JHNHA 6 SER H 6 SER HA 6.2 . . 0.9
4 3JHNHA 7 LYS H 7 LYS HA 9.6 . . 1.2
5 3JHNHA 8 GLN H 8 GLN HA 9.3 . . 0.6
6 3JHNHA 11 ILE H 11 ILE HA 9.1 . . 0.1
7 3JHNHA 15 ILE H 15 ILE HA 6.2 . . 0.3
8 3JHNHA 17 GLN H 17 GLN HA 4.7 . . 0.3
9 3JHNHA 18 HIS H 18 HIS HA 3.7 . . 0.4
10 3JHNHA 19 VAL H 19 VAL HA 4.5 . . 0.5
11 3JHNHA 20 ALA H 20 ALA HA 3.1 . . 0.7
12 3JHNHA 21 ASP H 21 ASP HA 4.2 . . 0.3
13 3JHNHA 22 ARG H 22 ARG HA 6.7 . . 0.2
14 3JHNHA 23 LEU H 23 LEU HA 5.4 . . 0.3
15 3JHNHA 24 ALA H 24 ALA HA 4.0 . . 1.2
16 3JHNHA 25 LYS H 25 LYS HA 6.6 . . 0.2
17 3JHNHA 26 LEU H 26 LEU HA 6.8 . . 1.1
18 3JHNHA 29 TRP H 29 TRP HA 7.5 . . 0.5
19 3JHNHA 31 THR H 31 THR HA 6.7 . . 1.4
20 3JHNHA 35 ASN H 35 ASN HA 7.4 . . 2.5
21 3JHNHA 37 HIS H 37 HIS HA 9.3 . . 0.1
22 3JHNHA 38 ILE H 38 ILE HA 10.5 . . 0.8
23 3JHNHA 39 ILE H 39 ILE HA 10.0 . . 0.1
24 3JHNHA 40 LEU H 40 LEU HA 10.4 . . 0.1
25 3JHNHA 41 SER H 41 SER HA 9.9 . . 0.1
26 3JHNHA 43 GLU H 43 GLU HA 9.8 . . 0.1
27 3JHNHA 45 GLN H 45 GLN HA 8.1 . . 0.1
28 3JHNHA 47 PHE H 47 PHE HA 9.5 . . 0.1
29 3JHNHA 48 VAL H 48 VAL HA 10.4 . . 0.1
30 3JHNHA 49 ALA H 49 ALA HA 10.2 . . 0.1
31 3JHNHA 50 ASP H 50 ASP HA 9.6 . . 0.1
32 3JHNHA 51 ALA H 51 ALA HA 8.9 . . 0.1
33 3JHNHA 52 THR H 52 THR HA 8.7 . . 0.4
34 3JHNHA 53 ILE H 53 ILE HA 10.2 . . 0.1
35 3JHNHA 54 ASN H 54 ASN HA 8.4 . . 0.2
36 3JHNHA 55 THR H 55 THR HA 9.6 . . 0.1
37 3JHNHA 57 ASN H 57 ASN HA 10.2 . . 0.1
38 3JHNHA 60 LEU H 60 LEU HA 9.7 . . 0.1
39 3JHNHA 61 VAL H 61 VAL HA 9.2 . . 0.1
40 3JHNHA 62 ALA H 62 ALA HA 7.6 . . 0.1
41 3JHNHA 63 SER H 63 SER HA 8.8 . . 0.1
42 3JHNHA 66 HIS H 66 HIS HA 5.4 . . 0.2
43 3JHNHA 67 GLU H 67 GLU HA 4.0 . . 0.6
44 3JHNHA 68 ASP H 68 ASP HA 9.2 . . 0.6
45 3JHNHA 69 MET H 69 MET HA 2.3 . . 1.3
46 3JHNHA 70 TYR H 70 TYR HA 5.2 . . 0.2
47 3JHNHA 71 THR H 71 THR HA 4.9 . . 0.4
48 3JHNHA 72 ALA H 72 ALA HA 4.4 . . 0.9
49 3JHNHA 73 ILE H 73 ILE HA 4.5 . . 0.5
50 3JHNHA 74 ASN H 74 ASN HA 4.8 . . 0.4
51 3JHNHA 75 GLU H 75 GLU HA 4.9 . . 0.3
52 3JHNHA 76 LEU H 76 LEU HA 3.5 . . 0.8
53 3JHNHA 78 ASN H 78 ASN HA 3.7 . . 0.4
54 3JHNHA 80 LEU H 80 LEU HA 4.6 . . 0.5
55 3JHNHA 81 GLU H 81 GLU HA 3.2 . . 0.8
56 3JHNHA 82 ARG H 82 ARG HA 4.9 . . 0.3
57 3JHNHA 83 GLN H 83 GLN HA 6.3 . . 0.4
58 3JHNHA 84 LEU H 84 LEU HA 4.8 . . 0.8
59 3JHNHA 85 ASN H 85 ASN HA 4.5 . . 0.5
60 3JHNHA 86 LYS H 86 LYS HA 5.9 . . 0.2
61 3JHNHA 87 LEU H 87 LEU HA 5.5 . . 0.2
62 3JHNHA 88 GLN H 88 GLN HA 6.5 . . 0.1
63 3JHNHA 89 HIS H 89 HIS HA 7.5 . . 0.4
64 3JHNHA 90 LYS H 90 LYS HA 5.6 . . 0.2
65 3JHNHA 94 ARG H 94 ARG HA 7.7 . . 0.1
66 3JHNHA 95 ARG H 95 ARG HA 7.9 . . 0.1
67 3JHNHA 98 THR H 98 THR HA 8.9 . . 0.1
68 3JHNHA 100 VAL H 100 VAL HA 7.8 . . 0.1
69 3JHNHA 101 LYS H 101 LYS HA 7.6 . . 0.2
70 3JHNHA 103 ALA H 103 ALA HA 6.3 . . 0.1
71 3JHNHA 104 ASN H 104 ASN HA 9.1 . . 0.2
72 3JHNHA 105 PHE H 105 PHE HA 7.5 . . 0.2
73 3JHNHA 106 VAL H 106 VAL HA 8.9 . . 0.2
74 3JHNHA 110 GLU H 110 GLU HA 7.6 . . 0.2
75 3JHNHA 112 GLU H 112 GLU HA 8.3 . . 0.2
stop_
save_