data_5166
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of hemolysin expression modulating protein Hha
;
_BMRB_accession_number 5166
_BMRB_flat_file_name bmr5166.str
_Entry_type new
_Submission_date 2001-10-09
_Accession_date 2001-10-09
_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 Yee A. . .
2 Chang X. . .
3 Pineda-Lucena A. . .
4 Wu B. . .
5 Semesi A. . .
6 Le B. . .
7 Ramelot T. . .
8 Lee G. M. .
9 Bhattacharyya S. . .
10 Gutierrez P. . .
11 Denisov A. . .
12 Lee C. H. .
13 Cort J. R. .
14 Kozlov G. . .
15 Liao J. . .
16 Finak G. . .
17 Chen L. . .
18 Wishart D. . .
19 Lee W. . .
20 McIntosh L. P. .
21 Gehring K. . .
22 Kennedy M. A. .
23 Edwards A. M. .
24 Arrowsmith C. H. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 364
"13C chemical shifts" 236
"15N chemical shifts" 66
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-07-15 update BMRB 'added time domain data'
2001-10-18 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'An NMR Approach to Structural Proteomics'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code 21843898
_PubMed_ID 11854485
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Yee A. . .
2 Chang X. . .
3 Pineda-Lucena A. . .
4 Wu B. . .
5 Semesi A. . .
6 Le B. . .
7 Ramelot T. . .
8 Lee G. M. .
9 Bhattacharyya S. . .
10 Gutierrez P. . .
11 Denisov A. . .
12 Lee C. H. .
13 Cort J. R. .
14 Kozlov G. . .
15 Liao J. . .
16 Finak G. . .
17 Chen L. . .
18 Wishart D. . .
19 Lee W. . .
20 McIntosh L. P. .
21 Gehring K. . .
22 Kennedy M. A. .
23 Edwards A. M. .
24 Arrowsmith C. H. .
stop_
_Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.'
_Journal_volume 99
_Journal_issue 4
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 1825
_Page_last 1830
_Year 2002
_Details .
loop_
_Keyword
Hha
'hemolysin expression modulating protein'
'structural genomics'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_Hha
_Saveframe_category molecular_system
_Mol_system_name 'hemolysin expression modulating protein Hha'
_Abbreviation_common Hha
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'hemolysin expression modulating protein Hha' $Hha
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all free'
loop_
_Biological_function
'hemolysin expression modulating protein'
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_Hha
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'hemolysin expression modulating protein'
_Abbreviation_common Hha
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 72
_Mol_residue_sequence
;
MSEKPLTKTDYLMRLRRCQT
IDTLERVIEKNKYELSDNEL
AVFYSAADHRLAELTMNKLY
DKIPSSVWKFIR
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 SER 3 GLU 4 LYS 5 PRO
6 LEU 7 THR 8 LYS 9 THR 10 ASP
11 TYR 12 LEU 13 MET 14 ARG 15 LEU
16 ARG 17 ARG 18 CYS 19 GLN 20 THR
21 ILE 22 ASP 23 THR 24 LEU 25 GLU
26 ARG 27 VAL 28 ILE 29 GLU 30 LYS
31 ASN 32 LYS 33 TYR 34 GLU 35 LEU
36 SER 37 ASP 38 ASN 39 GLU 40 LEU
41 ALA 42 VAL 43 PHE 44 TYR 45 SER
46 ALA 47 ALA 48 ASP 49 HIS 50 ARG
51 LEU 52 ALA 53 GLU 54 LEU 55 THR
56 MET 57 ASN 58 LYS 59 LEU 60 TYR
61 ASP 62 LYS 63 ILE 64 PRO 65 SER
66 SER 67 VAL 68 TRP 69 LYS 70 PHE
71 ILE 72 ARG
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
PDB 1JW2 "Solution Structure Of Hemolysin Expression Modulating Protein Hha From Escherichia Coli. Ontario Centre For Structural Proteomi" 100.00 72 100.00 100.00 1.77e-44
DBJ BAB33936 "haemolysin expression modulating protein [Escherichia coli O157:H7 str. Sakai]" 100.00 72 100.00 100.00 1.77e-44
DBJ BAE76239 "modulator of gene expression, with H-NS [Escherichia coli str. K-12 substr. W3110]" 100.00 72 100.00 100.00 1.77e-44
DBJ BAG76009 "haemolysin expression modulating protein [Escherichia coli SE11]" 100.00 72 100.00 100.00 1.77e-44
DBJ BAH62096 "haemolysin expression modulating protein [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 100.00 72 97.22 100.00 2.00e-43
DBJ BAI23833 "gene expression modulator Hha [Escherichia coli O26:H11 str. 11368]" 100.00 72 100.00 100.00 1.77e-44
EMBL CAA41043 "Hha protein [Escherichia coli]" 100.00 72 100.00 100.00 1.77e-44
EMBL CAD04958 "haemolysin expression modulating protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 72 98.61 100.00 8.19e-44
EMBL CAP74993 "Hemolysin expression-modulating protein [Escherichia coli LF82]" 100.00 72 100.00 100.00 1.77e-44
EMBL CAQ30933 "haemolysin expression modulating protein [Escherichia coli BL21(DE3)]" 100.00 72 100.00 100.00 1.77e-44
EMBL CAQ90052 "modulator of gene expression, with H-NS [Escherichia fergusonii ATCC 35469]" 100.00 72 98.61 100.00 8.19e-44
GB AAB40215 "Hha protein [Escherichia coli]" 100.00 139 100.00 100.00 2.65e-44
GB AAC73562 "modulator of gene expression, with H-NS [Escherichia coli str. K-12 substr. MG1655]" 100.00 72 100.00 100.00 1.77e-44
GB AAF67181 "Hha [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 72 98.61 100.00 8.19e-44
GB AAG10072 "Hha [Escherichia coli]" 100.00 72 100.00 100.00 1.77e-44
GB AAG54809 "haemolysin expression modulating protein [Escherichia coli O157:H7 str. EDL933]" 100.00 72 100.00 100.00 1.77e-44
PIR AD0561 "haemolysin expression modulating protein [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 72 98.61 100.00 8.19e-44
REF NP_286201 "hemolysin expression-modulating protein [Escherichia coli O157:H7 str. EDL933]" 100.00 72 100.00 100.00 1.77e-44
REF NP_308540 "hemolysin expression-modulating protein [Escherichia coli O157:H7 str. Sakai]" 100.00 72 100.00 100.00 1.77e-44
REF NP_414993 "modulator of gene expression, with H-NS [Escherichia coli str. K-12 substr. MG1655]" 100.00 72 100.00 100.00 1.77e-44
REF NP_455070 "hemolysin expression modulating protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 72 98.61 100.00 8.19e-44
REF NP_459468 "hemolysin expression-modulating protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 72 98.61 100.00 8.19e-44
SP P0ACE3 "RecName: Full=Hemolysin expression-modulating protein Hha [Escherichia coli K-12]" 100.00 72 100.00 100.00 1.77e-44
SP P0ACE4 "RecName: Full=Hemolysin expression-modulating protein Hha [Escherichia coli CFT073]" 100.00 72 100.00 100.00 1.77e-44
SP P0ACE5 "RecName: Full=Hemolysin expression-modulating protein Hha [Escherichia coli O157:H7]" 100.00 72 100.00 100.00 1.77e-44
SP P0ACE6 "RecName: Full=Hemolysin expression-modulating protein Hha [Shigella flexneri]" 100.00 72 100.00 100.00 1.77e-44
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$Hha '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_name
$Hha 'recombinant technology' . . . . .
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
$Hha 2 mM '[U-15N; U-13C]'
NaCl 150 mM .
stop_
save_
############################
# Computer software used #
############################
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 2000.02.14
loop_
_Task
processing
stop_
_Details Delagio
save_
save_Sparky
_Saveframe_category software
_Name Sparky
_Version 3.95
loop_
_Task
'data analysis'
stop_
_Details Goddard
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version 1.0
loop_
_Task
'structure solution'
stop_
_Details Brunger
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 500
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_CN_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CN NOESY'
_Sample_label .
save_
save_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-13C HSQC'
_Sample_label .
save_
save_CBCACONH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACONH
_Sample_label .
save_
save_CCC_TOCSY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name 'CCC TOCSY'
_Sample_label .
save_
save_HCCH_TOCSY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name 'HCCH TOCSY'
_Sample_label .
save_
save_HCC_TOCSY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name 'HCC TOCSY'
_Sample_label .
save_
save_HNCACB_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label .
save_
save_1H-15N_HSQC_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N HSQC'
_Sample_label .
save_
save_NMR_spectrometer_expt_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CN NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-13C HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_3
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACONH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_4
_Saveframe_category NMR_applied_experiment
_Experiment_name 'CCC TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_5
_Saveframe_category NMR_applied_experiment
_Experiment_name 'HCCH TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_6
_Saveframe_category NMR_applied_experiment
_Experiment_name 'HCC TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.5 0.2 n/a
temperature 298 1 K
'ionic strength' 150 . mM
pressure 1 . atm
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 internal direct spherical internal parallel 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_chemical_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'hemolysin expression modulating protein Hha'
_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 MET CA C 56.012 0.041 1
2 . 1 MET CB C 33.311 0.070 1
3 . 1 MET CE C 17.530 0.000 1
4 . 1 MET CG C 32.432 0.028 1
5 . 1 MET HA H 4.570 0.004 1
6 . 1 MET HB2 H 2.109 0.026 1
7 . 1 MET HB3 H 2.182 0.011 1
8 . 1 MET HE H 2.180 0.000 1
9 . 1 MET HG2 H 2.539 0.018 1
10 . 1 MET HG3 H 2.594 0.010 1
11 . 2 SER CA C 59.071 0.000 1
12 . 2 SER CB C 64.288 0.000 1
13 . 3 GLU CA C 57.211 0.060 1
14 . 3 GLU CB C 30.772 0.025 1
15 . 3 GLU CG C 36.901 0.084 1
16 . 3 GLU H H 8.456 0.008 1
17 . 3 GLU HA H 4.387 0.005 1
18 . 3 GLU HB2 H 2.074 0.025 1
19 . 3 GLU HG2 H 2.379 0.015 1
20 . 3 GLU N N 123.269 0.044 1
21 . 4 LYS CA C 54.512 0.024 1
22 . 4 LYS CB C 33.304 0.000 1
23 . 4 LYS H H 8.154 0.006 1
24 . 4 LYS HA H 4.724 0.016 1
25 . 4 LYS HB2 H 1.865 0.027 1
26 . 4 LYS N N 123.416 0.040 1
27 . 5 PRO CA C 63.295 0.065 1
28 . 5 PRO CB C 32.425 0.000 1
29 . 5 PRO CD C 51.146 0.054 1
30 . 5 PRO CG C 28.058 0.097 1
31 . 5 PRO HA H 4.549 0.023 1
32 . 5 PRO HB2 H 2.044 0.001 1
33 . 5 PRO HD2 H 3.783 0.029 1
34 . 5 PRO HD3 H 3.940 0.014 1
35 . 5 PRO HG2 H 2.149 0.008 1
36 . 6 LEU CA C 55.754 0.148 1
37 . 6 LEU CB C 42.751 0.063 1
38 . 6 LEU CD1 C 23.684 0.108 1
39 . 6 LEU CD2 C 25.496 0.063 1
40 . 6 LEU CG C 28.140 0.101 1
41 . 6 LEU H H 8.527 0.039 1
42 . 6 LEU HA H 4.556 0.016 1
43 . 6 LEU HB2 H 1.141 0.011 1
44 . 6 LEU HB3 H 1.570 0.015 1
45 . 6 LEU HD1 H 0.731 0.008 1
46 . 6 LEU HD2 H 0.803 0.013 1
47 . 6 LEU HG H 1.745 0.008 1
48 . 6 LEU N N 123.913 0.051 1
49 . 7 THR CA C 60.689 0.073 1
50 . 7 THR CB C 72.757 0.095 1
51 . 7 THR CG2 C 22.282 0.070 1
52 . 7 THR H H 9.126 0.050 1
53 . 7 THR HA H 4.819 0.013 1
54 . 7 THR HB H 4.724 0.000 1
55 . 7 THR HG2 H 1.433 0.005 1
56 . 7 THR N N 113.152 0.135 1
57 . 8 LYS CA C 61.349 0.064 1
58 . 8 LYS CB C 32.939 0.144 1
59 . 8 LYS CD C 30.475 0.133 1
60 . 8 LYS CE C 42.580 0.000 1
61 . 8 LYS CG C 25.570 0.090 1
62 . 8 LYS H H 9.131 0.041 1
63 . 8 LYS HA H 4.061 0.017 1
64 . 8 LYS HB2 H 2.224 0.003 1
65 . 8 LYS HB3 H 2.044 0.021 1
66 . 8 LYS HD2 H 1.932 0.003 1
67 . 8 LYS HE2 H 2.974 0.015 1
68 . 8 LYS HG2 H 1.328 0.013 1
69 . 8 LYS HG3 H 1.602 0.020 1
70 . 8 LYS N N 121.619 0.074 1
71 . 9 THR CA C 67.163 0.064 1
72 . 9 THR CB C 68.963 0.079 1
73 . 9 THR CG2 C 22.780 0.069 1
74 . 9 THR H H 8.041 0.038 1
75 . 9 THR HA H 3.902 0.013 1
76 . 9 THR HB H 4.139 0.006 1
77 . 9 THR HG2 H 1.332 0.030 1
78 . 9 THR N N 113.944 0.134 1
79 . 10 ASP CA C 58.469 0.073 1
80 . 10 ASP CB C 42.148 0.072 1
81 . 10 ASP H H 7.583 0.052 1
82 . 10 ASP HA H 4.447 0.013 1
83 . 10 ASP HB2 H 2.527 0.012 1
84 . 10 ASP HB3 H 2.864 0.013 1
85 . 10 ASP N N 122.302 0.104 1
86 . 11 TYR CA C 62.819 0.104 1
87 . 11 TYR CB C 39.398 0.054 1
88 . 11 TYR H H 7.946 0.066 1
89 . 11 TYR HA H 4.425 0.011 1
90 . 11 TYR HB2 H 3.009 0.016 1
91 . 11 TYR HB3 H 2.923 0.017 1
92 . 11 TYR HD1 H 7.192 0.057 1
93 . 11 TYR HE1 H 6.773 0.102 1
94 . 11 TYR N N 117.829 0.054 1
95 . 12 LEU CA C 58.858 0.082 1
96 . 12 LEU CB C 42.457 0.063 1
97 . 12 LEU CD1 C 25.459 0.103 1
98 . 12 LEU CD2 C 23.563 0.050 1
99 . 12 LEU CG C 27.811 0.026 1
100 . 12 LEU H H 9.095 0.052 1
101 . 12 LEU HA H 4.047 0.014 1
102 . 12 LEU HB2 H 1.413 0.005 1
103 . 12 LEU HB3 H 2.101 0.013 1
104 . 12 LEU HD1 H 0.499 0.009 1
105 . 12 LEU HD2 H 0.947 0.010 1
106 . 12 LEU HG H 1.502 0.010 1
107 . 12 LEU N N 122.347 0.096 1
108 . 13 MET CA C 58.668 0.098 1
109 . 13 MET CB C 32.268 0.087 1
110 . 13 MET CE C 18.087 0.074 1
111 . 13 MET CG C 32.813 0.050 1
112 . 13 MET H H 8.329 0.046 1
113 . 13 MET HA H 4.368 0.015 1
114 . 13 MET HB2 H 2.376 0.006 1
115 . 13 MET HB3 H 2.199 0.007 1
116 . 13 MET HE H 2.199 0.002 1
117 . 13 MET HG2 H 2.959 0.010 1
118 . 13 MET HG3 H 2.917 0.009 1
119 . 13 MET N N 116.612 0.078 1
120 . 14 ARG CA C 59.546 0.054 1
121 . 14 ARG CB C 30.581 0.036 1
122 . 14 ARG CD C 44.371 0.053 1
123 . 14 ARG CG C 28.080 0.000 1
124 . 14 ARG H H 7.297 0.055 1
125 . 14 ARG HA H 4.366 0.024 1
126 . 14 ARG HB2 H 2.308 0.007 1
127 . 14 ARG HB3 H 2.255 0.018 1
128 . 14 ARG HD3 H 3.302 0.030 1
129 . 14 ARG HG2 H 2.032 0.013 1
130 . 14 ARG N N 118.232 0.043 1
131 . 15 LEU CA C 57.292 0.021 1
132 . 15 LEU CB C 41.736 0.031 1
133 . 15 LEU CD1 C 25.815 0.062 1
134 . 15 LEU CD2 C 22.902 0.034 1
135 . 15 LEU CG C 26.403 0.111 1
136 . 15 LEU H H 8.580 0.052 1
137 . 15 LEU HA H 4.596 0.018 1
138 . 15 LEU HB2 H 1.545 0.019 1
139 . 15 LEU HB3 H 2.024 0.034 1
140 . 15 LEU HD1 H 0.604 0.014 1
141 . 15 LEU HD2 H 1.103 0.021 1
142 . 15 LEU HG H 2.223 0.014 1
143 . 15 LEU N N 120.748 0.047 1
144 . 16 ARG CA C 59.344 0.021 1
145 . 16 ARG CB C 29.690 0.013 1
146 . 16 ARG CD C 43.989 0.000 1
147 . 16 ARG CG C 30.202 0.000 1
148 . 16 ARG H H 8.517 0.025 1
149 . 16 ARG HA H 4.105 0.021 1
150 . 16 ARG N N 123.443 0.070 1
151 . 17 ARG CA C 57.691 0.078 1
152 . 17 ARG CB C 30.666 0.067 1
153 . 17 ARG CD C 44.060 0.078 1
154 . 17 ARG CG C 28.292 0.071 1
155 . 17 ARG H H 7.458 0.039 1
156 . 17 ARG HA H 4.408 0.012 1
157 . 17 ARG HB2 H 2.244 0.005 1
158 . 17 ARG HB3 H 2.065 0.028 1
159 . 17 ARG HD3 H 3.419 0.016 1
160 . 17 ARG HG2 H 1.978 0.008 1
161 . 17 ARG N N 115.999 0.091 1
162 . 18 CYS CA C 59.613 0.032 1
163 . 18 CYS CB C 28.019 0.061 1
164 . 18 CYS H H 7.840 0.044 1
165 . 18 CYS HA H 4.519 0.015 1
166 . 18 CYS HB2 H 3.402 0.015 1
167 . 18 CYS HB3 H 3.016 0.009 1
168 . 18 CYS N N 118.743 0.127 1
169 . 19 GLN CA C 56.786 0.049 1
170 . 19 GLN CB C 30.447 0.035 1
171 . 19 GLN CG C 34.237 0.150 1
172 . 19 GLN H H 8.353 0.000 1
173 . 19 GLN HA H 4.420 0.012 1
174 . 19 GLN HB2 H 2.147 0.018 1
175 . 19 GLN HE21 H 7.589 0.050 1
176 . 19 GLN HE22 H 6.867 0.048 1
177 . 19 GLN HG2 H 2.514 0.013 1
178 . 19 GLN HG3 H 2.608 0.021 1
179 . 19 GLN NE2 N 112.608 0.038 1
180 . 20 THR CA C 58.997 0.093 1
181 . 20 THR CB C 73.498 0.031 1
182 . 20 THR CG2 C 22.656 0.036 1
183 . 20 THR H H 7.331 0.032 1
184 . 20 THR HA H 4.990 0.022 1
185 . 20 THR HB H 4.807 0.019 1
186 . 20 THR HG2 H 1.394 0.009 1
187 . 20 THR N N 106.345 0.089 1
188 . 21 ILE CA C 65.761 0.059 1
189 . 21 ILE CB C 38.183 0.061 1
190 . 21 ILE CD1 C 13.603 0.132 1
191 . 21 ILE CG1 C 31.267 0.163 1
192 . 21 ILE CG2 C 17.984 0.069 1
193 . 21 ILE H H 9.293 0.056 1
194 . 21 ILE HA H 3.798 0.016 1
195 . 21 ILE HB H 2.008 0.014 1
196 . 21 ILE HD1 H 1.029 0.005 1
197 . 21 ILE HG12 H 1.163 0.020 1
198 . 21 ILE HG13 H 1.894 0.008 1
199 . 21 ILE HG2 H 1.074 0.018 1
200 . 21 ILE N N 124.698 0.096 1
201 . 22 ASP CA C 58.036 0.039 1
202 . 22 ASP CB C 41.371 0.152 1
203 . 22 ASP H H 8.520 0.038 1
204 . 22 ASP HA H 4.567 0.016 1
205 . 22 ASP HB2 H 2.798 0.019 1
206 . 22 ASP N N 119.083 0.109 1
207 . 23 THR CA C 66.595 0.079 1
208 . 23 THR CB C 69.472 0.097 1
209 . 23 THR CG2 C 23.667 0.074 1
210 . 23 THR H H 7.832 0.036 1
211 . 23 THR HA H 4.177 0.016 1
212 . 23 THR HB H 4.396 0.009 1
213 . 23 THR HG2 H 1.565 0.018 1
214 . 23 THR N N 114.258 0.102 1
215 . 24 LEU CA C 59.123 0.059 1
216 . 24 LEU CB C 42.423 0.044 1
217 . 24 LEU CD1 C 27.162 0.119 1
218 . 24 LEU CD2 C 25.478 0.032 1
219 . 24 LEU CG C 27.477 0.055 1
220 . 24 LEU H H 7.955 0.037 1
221 . 24 LEU HA H 4.645 0.012 1
222 . 24 LEU HB2 H 2.437 0.011 1
223 . 24 LEU HB3 H 1.430 0.008 1
224 . 24 LEU HD1 H 1.122 0.008 1
225 . 24 LEU HD2 H 1.209 0.007 1
226 . 24 LEU HG H 1.881 0.007 1
227 . 24 LEU N N 124.247 0.076 1
228 . 25 GLU CA C 60.757 0.107 1
229 . 25 GLU CB C 29.885 0.039 1
230 . 25 GLU CG C 37.432 0.118 1
231 . 25 GLU H H 8.978 0.052 1
232 . 25 GLU HA H 4.108 0.011 1
233 . 25 GLU HB2 H 2.411 0.008 1
234 . 25 GLU HB3 H 2.247 0.037 1
235 . 25 GLU HG2 H 2.381 0.011 1
236 . 25 GLU HG3 H 2.752 0.015 1
237 . 25 GLU N N 118.138 0.076 1
238 . 26 ARG CA C 59.949 0.103 1
239 . 26 ARG CB C 30.777 0.050 1
240 . 26 ARG CD C 44.091 0.116 1
241 . 26 ARG CG C 28.157 0.194 1
242 . 26 ARG H H 7.709 0.041 1
243 . 26 ARG HA H 4.328 0.015 1
244 . 26 ARG HB2 H 2.170 0.016 1
245 . 26 ARG HB3 H 2.215 0.002 1
246 . 26 ARG HD3 H 3.382 0.021 1
247 . 26 ARG HG2 H 2.039 0.009 1
248 . 26 ARG HG3 H 1.913 0.000 1
249 . 26 ARG N N 119.878 0.076 1
250 . 27 VAL CA C 67.308 0.076 1
251 . 27 VAL CB C 32.416 0.104 1
252 . 27 VAL CG1 C 22.874 0.044 1
253 . 27 VAL CG2 C 24.567 0.069 1
254 . 27 VAL H H 8.206 0.034 1
255 . 27 VAL HA H 3.884 0.022 1
256 . 27 VAL HB H 2.510 0.020 1
257 . 27 VAL HG1 H 1.154 0.014 1
258 . 27 VAL HG2 H 1.231 0.015 1
259 . 27 VAL N N 122.878 0.056 1
260 . 28 ILE CA C 67.227 0.076 1
261 . 28 ILE CB C 38.835 0.058 1
262 . 28 ILE CD1 C 15.715 0.061 1
263 . 28 ILE CG1 C 29.485 0.062 1
264 . 28 ILE CG2 C 18.270 0.096 1
265 . 28 ILE H H 8.955 0.059 1
266 . 28 ILE HA H 3.963 0.021 1
267 . 28 ILE HB H 2.225 0.022 1
268 . 28 ILE HD1 H 1.057 0.013 1
269 . 28 ILE HG12 H 1.078 0.012 1
270 . 28 ILE HG13 H 1.124 0.036 1
271 . 28 ILE HG2 H 1.250 0.006 1
272 . 28 ILE N N 124.129 0.049 1
273 . 29 GLU CA C 59.863 0.025 1
274 . 29 GLU CB C 30.016 0.048 1
275 . 29 GLU CG C 36.475 0.086 1
276 . 29 GLU H H 7.980 0.037 1
277 . 29 GLU HA H 4.082 0.012 1
278 . 29 GLU HB2 H 2.312 0.020 1
279 . 29 GLU HG2 H 2.563 0.015 1
280 . 29 GLU N N 118.666 0.093 1
281 . 30 LYS CA C 59.253 0.083 1
282 . 30 LYS CB C 33.470 0.100 1
283 . 30 LYS CD C 30.420 0.000 1
284 . 30 LYS CE C 42.734 0.000 1
285 . 30 LYS CG C 25.429 0.000 1
286 . 30 LYS H H 7.670 0.041 1
287 . 30 LYS HA H 4.313 0.012 1
288 . 30 LYS HB2 H 2.067 0.018 1
289 . 30 LYS HD2 H 1.645 0.011 1
290 . 30 LYS HG2 H 1.571 0.016 1
291 . 30 LYS HG3 H 1.621 0.000 1
292 . 30 LYS N N 117.031 0.051 1
293 . 31 ASN CA C 57.024 0.035 1
294 . 31 ASN CB C 39.603 0.115 1
295 . 31 ASN H H 7.966 0.075 1
296 . 31 ASN HA H 4.281 0.021 1
297 . 31 ASN HB2 H 2.143 0.013 1
298 . 31 ASN HB3 H 1.564 0.010 1
299 . 31 ASN N N 117.227 0.031 1
300 . 32 LYS CA C 59.866 0.038 1
301 . 32 LYS CB C 32.343 0.059 1
302 . 32 LYS CD C 30.461 0.012 1
303 . 32 LYS CE C 42.620 0.043 1
304 . 32 LYS CG C 25.019 0.000 1
305 . 32 LYS H H 8.333 0.049 1
306 . 32 LYS HA H 3.943 0.017 1
307 . 32 LYS HB2 H 1.763 0.025 1
308 . 32 LYS HD2 H 1.709 0.005 1
309 . 32 LYS HE2 H 3.029 0.024 1
310 . 32 LYS HG2 H 1.260 0.014 1
311 . 32 LYS N N 120.050 0.061 1
312 . 33 TYR CA C 59.258 0.052 1
313 . 33 TYR CB C 39.148 0.043 1
314 . 33 TYR H H 7.116 0.040 1
315 . 33 TYR HA H 4.717 0.016 1
316 . 33 TYR HB2 H 3.022 0.016 1
317 . 33 TYR HB3 H 3.439 0.016 1
318 . 33 TYR HD1 H 7.056 0.000 1
319 . 33 TYR N N 114.984 0.140 1
320 . 34 GLU CA C 57.342 0.052 1
321 . 34 GLU CB C 32.711 0.029 1
322 . 34 GLU CG C 36.658 0.064 1
323 . 34 GLU H H 7.545 0.050 1
324 . 34 GLU HA H 4.506 0.016 1
325 . 34 GLU HB2 H 1.947 0.012 1
326 . 34 GLU HG2 H 2.311 0.024 1
327 . 34 GLU HG3 H 2.478 0.019 1
328 . 34 GLU N N 118.005 0.052 1
329 . 35 LEU CA C 54.753 0.043 1
330 . 35 LEU CB C 43.854 0.033 1
331 . 35 LEU CD1 C 26.220 0.063 1
332 . 35 LEU CD2 C 22.925 0.057 1
333 . 35 LEU CG C 27.115 0.205 1
334 . 35 LEU H H 7.518 0.073 1
335 . 35 LEU HA H 4.649 0.009 1
336 . 35 LEU HB2 H 1.636 0.022 1
337 . 35 LEU HB3 H 1.493 0.015 1
338 . 35 LEU HD1 H 0.413 0.010 1
339 . 35 LEU HD2 H 0.874 0.024 1
340 . 35 LEU HG H 1.767 0.011 1
341 . 35 LEU N N 119.504 0.076 1
342 . 36 SER CA C 58.216 0.030 1
343 . 36 SER CB C 65.420 0.065 1
344 . 36 SER H H 8.747 0.040 1
345 . 36 SER HA H 4.675 0.015 1
346 . 36 SER HB2 H 4.351 0.007 1
347 . 36 SER HB3 H 4.159 0.008 1
348 . 36 SER N N 116.991 0.248 1
349 . 37 ASP CA C 58.575 0.069 1
350 . 37 ASP CB C 40.730 0.001 1
351 . 37 ASP H H 8.894 0.007 1
352 . 37 ASP HA H 4.439 0.010 1
353 . 37 ASP HB2 H 2.843 0.012 1
354 . 37 ASP N N 121.559 0.018 1
355 . 38 ASN CA C 56.643 0.099 1
356 . 38 ASN CB C 38.639 0.062 1
357 . 38 ASN H H 8.739 0.000 1
358 . 38 ASN HA H 4.654 0.018 1
359 . 38 ASN HB2 H 2.955 0.011 1
360 . 39 GLU CA C 59.187 0.085 1
361 . 39 GLU CB C 31.381 0.051 1
362 . 39 GLU CG C 37.658 0.122 1
363 . 39 GLU H H 7.684 0.042 1
364 . 39 GLU HA H 4.340 0.016 1
365 . 39 GLU HB2 H 2.382 0.015 1
366 . 39 GLU HG2 H 2.535 0.012 1
367 . 39 GLU N N 120.909 0.072 1
368 . 40 LEU CA C 57.918 0.069 1
369 . 40 LEU CB C 41.772 0.053 1
370 . 40 LEU CD1 C 24.703 0.086 1
371 . 40 LEU CD2 C 25.107 0.028 1
372 . 40 LEU CG C 27.128 0.136 1
373 . 40 LEU H H 8.613 0.049 1
374 . 40 LEU HA H 3.864 0.019 1
375 . 40 LEU HB2 H 1.695 0.004 1
376 . 40 LEU HB3 H 1.612 0.016 1
377 . 40 LEU HD1 H 0.797 0.024 1
378 . 40 LEU HD2 H 0.862 0.004 1
379 . 40 LEU HG H 1.512 0.006 1
380 . 40 LEU N N 120.797 0.074 1
381 . 41 ALA CA C 56.005 0.025 1
382 . 41 ALA CB C 18.697 0.073 1
383 . 41 ALA H H 7.590 0.053 1
384 . 41 ALA HA H 4.356 0.012 1
385 . 41 ALA HB H 1.684 0.011 1
386 . 41 ALA N N 119.246 0.049 1
387 . 42 VAL CA C 66.283 0.064 1
388 . 42 VAL CB C 32.435 0.071 1
389 . 42 VAL CG1 C 22.443 0.109 1
390 . 42 VAL H H 7.346 0.042 1
391 . 42 VAL HA H 3.937 0.017 1
392 . 42 VAL HB H 2.499 0.011 1
393 . 42 VAL HG1 H 1.303 0.013 1
394 . 42 VAL HG2 H 1.358 0.018 1
395 . 42 VAL N N 119.438 0.087 1
396 . 43 PHE CA C 62.656 0.099 1
397 . 43 PHE CB C 39.432 0.120 1
398 . 43 PHE H H 8.545 0.047 1
399 . 43 PHE HA H 3.386 0.010 1
400 . 43 PHE HB2 H 2.801 0.014 1
401 . 43 PHE HB3 H 2.085 0.012 1
402 . 43 PHE HD1 H 6.642 0.019 1
403 . 43 PHE HE1 H 7.232 0.006 1
404 . 43 PHE N N 124.099 0.126 1
405 . 44 TYR CA C 60.327 0.169 1
406 . 44 TYR CB C 37.341 0.085 1
407 . 44 TYR H H 9.421 0.056 1
408 . 44 TYR HA H 4.305 0.009 1
409 . 44 TYR HB2 H 3.173 0.015 1
410 . 44 TYR HB3 H 3.257 0.017 1
411 . 44 TYR HD1 H 7.241 0.014 1
412 . 44 TYR HE1 H 6.856 0.014 1
413 . 44 TYR N N 119.233 0.124 1
414 . 45 SER CA C 62.242 0.123 1
415 . 45 SER CB C 63.403 0.086 1
416 . 45 SER H H 7.659 0.045 1
417 . 45 SER HA H 4.584 0.019 1
418 . 45 SER HB2 H 4.275 0.010 1
419 . 45 SER N N 115.833 0.129 1
420 . 46 ALA CA C 55.347 0.043 1
421 . 46 ALA CB C 20.165 0.041 1
422 . 46 ALA H H 7.644 0.043 1
423 . 46 ALA HA H 4.173 0.029 1
424 . 46 ALA HB H 1.600 0.009 1
425 . 46 ALA N N 126.666 0.133 1
426 . 47 ALA CA C 56.025 0.050 1
427 . 47 ALA CB C 17.611 0.045 1
428 . 47 ALA H H 8.779 0.047 1
429 . 47 ALA HA H 3.872 0.013 1
430 . 47 ALA HB H 1.246 0.008 1
431 . 47 ALA N N 123.736 0.065 1
432 . 48 ASP CA C 57.871 0.030 1
433 . 48 ASP CB C 40.785 0.056 1
434 . 48 ASP H H 8.719 0.045 1
435 . 48 ASP HA H 4.666 0.020 1
436 . 48 ASP HB2 H 2.941 0.025 1
437 . 48 ASP HB3 H 3.010 0.000 1
438 . 48 ASP N N 120.797 0.083 1
439 . 49 HIS CA C 59.552 0.067 1
440 . 49 HIS CB C 32.381 0.077 1
441 . 49 HIS H H 7.403 0.044 1
442 . 49 HIS HA H 4.200 0.017 1
443 . 49 HIS HB2 H 3.330 0.012 1
444 . 49 HIS HB3 H 3.805 0.011 1
445 . 49 HIS N N 120.671 0.118 1
446 . 50 ARG CA C 57.473 0.129 1
447 . 50 ARG CB C 28.979 0.051 1
448 . 50 ARG CD C 43.876 0.029 1
449 . 50 ARG H H 8.953 0.066 1
450 . 50 ARG HA H 4.450 0.009 1
451 . 50 ARG HB2 H 2.266 0.006 1
452 . 50 ARG HD2 H 3.119 0.006 1
453 . 50 ARG HD3 H 3.205 0.002 1
454 . 50 ARG HG2 H 1.824 0.027 1
455 . 50 ARG N N 119.330 0.094 1
456 . 51 LEU CA C 59.107 0.061 1
457 . 51 LEU CB C 41.891 0.066 1
458 . 51 LEU CD1 C 26.099 0.066 1
459 . 51 LEU CD2 C 24.120 0.030 1
460 . 51 LEU CG C 28.076 0.011 1
461 . 51 LEU H H 8.924 0.042 1
462 . 51 LEU HA H 4.118 0.010 1
463 . 51 LEU HB2 H 1.839 0.014 1
464 . 51 LEU HB3 H 2.366 0.011 1
465 . 51 LEU HD1 H 1.114 0.023 1
466 . 51 LEU HD2 H 1.106 0.013 1
467 . 51 LEU HG H 1.656 0.018 1
468 . 51 LEU N N 122.271 0.116 1
469 . 52 ALA CA C 56.514 0.059 1
470 . 52 ALA CB C 18.415 0.079 1
471 . 52 ALA H H 8.151 0.041 1
472 . 52 ALA HA H 3.916 0.017 1
473 . 52 ALA HB H 1.242 0.018 1
474 . 52 ALA N N 125.585 0.122 1
475 . 53 GLU CA C 60.270 0.124 1
476 . 53 GLU CB C 31.306 0.104 1
477 . 53 GLU CG C 37.676 0.000 1
478 . 53 GLU H H 8.080 0.056 1
479 . 53 GLU HA H 4.415 0.013 1
480 . 53 GLU HB2 H 2.240 0.009 1
481 . 53 GLU HB3 H 2.696 0.021 1
482 . 53 GLU N N 118.189 0.128 1
483 . 54 LEU CA C 57.544 0.070 1
484 . 54 LEU CB C 43.572 0.051 1
485 . 54 LEU CD1 C 23.992 0.067 1
486 . 54 LEU CD2 C 27.647 0.100 1
487 . 54 LEU H H 8.748 0.045 1
488 . 54 LEU HA H 4.317 0.008 1
489 . 54 LEU HB2 H 1.474 0.015 1
490 . 54 LEU HB3 H 2.058 0.019 1
491 . 54 LEU HD1 H 0.896 0.010 1
492 . 54 LEU HD2 H 0.774 0.008 1
493 . 54 LEU HG H 1.772 0.011 1
494 . 54 LEU N N 119.065 0.103 1
495 . 55 THR CA C 67.415 0.070 1
496 . 55 THR CB C 69.428 0.073 1
497 . 55 THR CG2 C 21.418 0.075 1
498 . 55 THR H H 8.333 0.031 1
499 . 55 THR HA H 4.070 0.031 1
500 . 55 THR HB H 4.380 0.014 1
501 . 55 THR HG2 H 1.404 0.012 1
502 . 55 THR N N 117.483 0.107 1
503 . 56 MET CA C 54.252 0.046 1
504 . 56 MET CB C 31.761 0.080 1
505 . 56 MET CE C 16.083 0.038 1
506 . 56 MET CG C 32.311 0.110 1
507 . 56 MET H H 7.949 0.045 1
508 . 56 MET HA H 4.757 0.014 1
509 . 56 MET HB2 H 2.218 0.025 1
510 . 56 MET HE H 1.989 0.007 1
511 . 56 MET HG2 H 2.724 0.021 1
512 . 56 MET HG3 H 3.180 0.013 1
513 . 56 MET N N 116.938 0.092 1
514 . 57 ASN CA C 54.254 0.060 1
515 . 57 ASN CB C 37.729 0.093 1
516 . 57 ASN H H 8.176 0.037 1
517 . 57 ASN HA H 4.466 0.012 1
518 . 57 ASN HB2 H 3.362 0.012 1
519 . 57 ASN HB3 H 2.796 0.011 1
520 . 57 ASN HD21 H 7.646 0.008 1
521 . 57 ASN HD22 H 6.939 0.008 1
522 . 57 ASN N N 118.934 0.109 1
523 . 57 ASN ND2 N 106.779 0.049 1
524 . 58 LYS CA C 55.585 0.061 1
525 . 58 LYS CB C 36.912 0.067 1
526 . 58 LYS CD C 29.300 0.073 1
527 . 58 LYS CE C 42.605 0.102 1
528 . 58 LYS CG C 24.251 0.195 1
529 . 58 LYS H H 8.049 0.032 1
530 . 58 LYS HA H 4.418 0.010 1
531 . 58 LYS HB2 H 1.338 0.019 1
532 . 58 LYS HB3 H 1.285 0.010 1
533 . 58 LYS HD2 H 1.631 0.010 1
534 . 58 LYS HE2 H 2.968 0.013 1
535 . 58 LYS HG2 H 1.097 0.009 1
536 . 58 LYS N N 118.082 0.069 1
537 . 59 LEU CA C 54.277 0.067 1
538 . 59 LEU CB C 43.011 0.153 1
539 . 59 LEU CD1 C 23.572 0.041 1
540 . 59 LEU CD2 C 25.932 0.030 1
541 . 59 LEU CG C 27.004 0.000 1
542 . 59 LEU H H 7.633 0.049 1
543 . 59 LEU HA H 4.480 0.011 1
544 . 59 LEU HB2 H 1.299 0.008 1
545 . 59 LEU HB3 H 1.667 0.017 1
546 . 59 LEU HD1 H 0.851 0.011 1
547 . 59 LEU HD2 H 0.920 0.011 1
548 . 59 LEU HG H 1.692 0.002 1
549 . 59 LEU N N 118.329 0.055 1
550 . 60 TYR CA C 57.777 0.000 1
551 . 60 TYR CB C 43.534 0.037 1
552 . 60 TYR H H 9.858 0.040 1
553 . 60 TYR HA H 4.907 0.007 1
554 . 60 TYR HB2 H 2.292 0.016 1
555 . 60 TYR HB3 H 2.896 0.006 1
556 . 60 TYR HD1 H 7.093 0.044 1
557 . 60 TYR N N 121.003 0.092 1
558 . 61 ASP CA C 56.581 0.000 1
559 . 61 ASP CB C 41.254 0.038 1
560 . 61 ASP HA H 4.894 0.018 1
561 . 61 ASP HB2 H 2.837 0.013 1
562 . 61 ASP HB3 H 2.913 0.006 1
563 . 62 LYS CA C 55.440 0.061 1
564 . 62 LYS CB C 35.334 0.056 1
565 . 62 LYS CD C 29.828 0.009 1
566 . 62 LYS CE C 42.682 0.081 1
567 . 62 LYS CG C 25.079 0.170 1
568 . 62 LYS H H 7.749 0.027 1
569 . 62 LYS HA H 4.644 0.006 1
570 . 62 LYS HB2 H 1.831 0.014 1
571 . 62 LYS HD2 H 1.817 0.005 1
572 . 62 LYS HE2 H 3.129 0.011 1
573 . 62 LYS HG2 H 1.464 0.018 1
574 . 62 LYS HG3 H 1.517 0.013 1
575 . 62 LYS N N 119.463 0.087 1
576 . 63 ILE CA C 58.258 0.054 1
577 . 63 ILE CB C 37.271 0.038 1
578 . 63 ILE CD1 C 11.144 0.046 1
579 . 63 ILE CG1 C 27.531 0.034 1
580 . 63 ILE CG2 C 15.760 0.060 1
581 . 63 ILE H H 8.900 0.056 1
582 . 63 ILE HA H 3.541 0.018 1
583 . 63 ILE HB H 1.644 0.013 1
584 . 63 ILE HD1 H 0.021 0.010 1
585 . 63 ILE HG12 H 0.675 0.012 1
586 . 63 ILE HG13 H 0.885 0.011 1
587 . 63 ILE HG2 H -0.242 0.014 1
588 . 63 ILE N N 127.903 0.113 1
589 . 64 PRO CA C 62.962 0.017 1
590 . 64 PRO CB C 32.986 0.034 1
591 . 64 PRO CD C 51.400 0.064 1
592 . 64 PRO CG C 27.993 0.040 1
593 . 64 PRO HA H 4.623 0.012 1
594 . 64 PRO HB2 H 1.979 0.021 1
595 . 64 PRO HB3 H 2.588 0.008 1
596 . 64 PRO HD2 H 2.729 0.015 1
597 . 64 PRO HD3 H 3.764 0.019 1
598 . 64 PRO HG2 H 2.074 0.005 1
599 . 66 SER CA C 61.083 0.071 1
600 . 66 SER CB C 62.585 0.112 1
601 . 66 SER HA H 4.233 0.013 1
602 . 66 SER HB2 H 4.053 0.006 1
603 . 67 VAL CA C 65.854 0.035 1
604 . 67 VAL CB C 31.706 0.020 1
605 . 67 VAL CG1 C 21.554 0.057 1
606 . 67 VAL CG2 C 23.205 0.051 1
607 . 67 VAL H H 7.312 0.051 1
608 . 67 VAL HA H 3.959 0.016 1
609 . 67 VAL HB H 1.844 0.012 1
610 . 67 VAL HG1 H 0.710 0.011 1
611 . 67 VAL HG2 H 0.978 0.023 1
612 . 67 VAL N N 124.213 0.110 1
613 . 68 TRP CA C 59.899 0.107 1
614 . 68 TRP CB C 30.398 0.049 1
615 . 68 TRP CD1 C 127.700 0.000 1
616 . 68 TRP CE3 C 120.110 0.000 1
617 . 68 TRP H H 7.262 0.032 1
618 . 68 TRP HA H 4.716 0.010 1
619 . 68 TRP HB2 H 3.266 0.044 1
620 . 68 TRP HB3 H 3.439 0.019 1
621 . 68 TRP HD1 H 7.215 0.020 1
622 . 68 TRP HE1 H 10.065 0.061 1
623 . 68 TRP HE3 H 7.512 0.016 1
624 . 68 TRP HZ2 H 7.473 0.022 1
625 . 68 TRP HZ3 H 7.094 0.028 1
626 . 68 TRP N N 119.538 0.111 1
627 . 68 TRP NE1 N 129.495 0.082 1
628 . 69 LYS CA C 59.449 0.093 1
629 . 69 LYS CB C 32.714 0.045 1
630 . 69 LYS CD C 29.863 0.105 1
631 . 69 LYS CE C 42.599 0.104 1
632 . 69 LYS CG C 25.423 0.081 1
633 . 69 LYS H H 7.951 0.050 1
634 . 69 LYS HA H 4.162 0.018 1
635 . 69 LYS HB2 H 1.902 0.014 1
636 . 69 LYS HD2 H 1.740 0.002 1
637 . 69 LYS HE2 H 3.037 0.044 1
638 . 69 LYS HG2 H 1.472 0.017 1
639 . 69 LYS N N 117.523 0.108 1
640 . 70 PHE CA C 60.282 0.135 1
641 . 70 PHE CB C 39.824 0.054 1
642 . 70 PHE H H 7.632 0.047 1
643 . 70 PHE HA H 4.547 0.011 1
644 . 70 PHE HB2 H 3.394 0.012 1
645 . 70 PHE HD1 H 7.410 0.014 1
646 . 70 PHE N N 119.520 0.093 1
647 . 71 ILE CA C 63.755 0.063 1
648 . 71 ILE CB C 39.243 0.087 1
649 . 71 ILE CD1 C 14.184 0.084 1
650 . 71 ILE CG1 C 28.721 0.072 1
651 . 71 ILE CG2 C 18.154 0.059 1
652 . 71 ILE H H 8.140 0.047 1
653 . 71 ILE HA H 3.964 0.015 1
654 . 71 ILE HB H 2.104 0.014 1
655 . 71 ILE HD1 H 0.866 0.014 1
656 . 71 ILE HG12 H 1.822 0.011 1
657 . 71 ILE HG13 H 1.445 0.011 1
658 . 71 ILE HG2 H 1.080 0.017 1
659 . 71 ILE N N 118.094 0.095 1
660 . 72 ARG CA C 57.250 0.000 1
661 . 72 ARG CB C 31.353 0.040 1
662 . 72 ARG H H 8.351 0.023 1
663 . 72 ARG HA H 4.427 0.008 1
664 . 72 ARG HB2 H 1.952 0.021 1
665 . 72 ARG HD3 H 3.118 0.037 1
666 . 72 ARG N N 119.523 0.094 1
stop_
save_