data_17784
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
NMR structure of the PhyRSL-NepR complex from Sphingomonas sp. Fr1
;
_BMRB_accession_number 17784
_BMRB_flat_file_name bmr17784.str
_Entry_type original
_Submission_date 2011-07-18
_Accession_date 2011-07-18
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'NMR structure of the PhyRSL-NepR complex from Sphingomonas sp. Fr1'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Campagne Sebastien . .
2 Damberger Fred F. .
3 Vorholt Julia A. .
4 Allain Frederic H-T .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 2
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 1163
"13C chemical shifts" 831
"15N chemical shifts" 212
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2014-02-26 update BMRB 'update entry citation'
2012-04-18 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Structural basis for sigma factor mimicry in the general stress response of Alphaproteobacteria.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 22550171
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Campagne Sebastien . .
2 Damberger Fred F. .
3 Kaczmarczyk Andreas . .
4 Francez-Charlot Anne . .
5 Allain 'Frederic H-T' . .
6 Vorholt Julia A. .
stop_
_Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.'
_Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America'
_Journal_volume 109
_Journal_issue 21
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first E1405
_Page_last E1414
_Year 2012
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'PhyRSL-NepR complex'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
PhyR_sigma_like_domain $PhyR_sigma_like_domain
NepR_anti_sigma_factor $NepR_anti_sigma_factor
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_PhyR_sigma_like_domain
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common PhyR_sigma_like_domain
_Molecular_mass 17336.539
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 157
_Mol_residue_sequence
;
MSLGQQLAPHLPFLRRYGRA
LTGSQNQGDKYVRATLEAIV
AAPDQFPRDVDPRLGLYRMF
QGIWASANADGEAQTSQSDA
EGTEAVARARLARMTPLSRQ
ALLLTAMEGFSPEDAAYLIE
VDTSEVETLVTEALAEIEKQ
TRALELVPRGSHHHHHH
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1 MET 2 2 SER 3 3 LEU 4 4 GLY 5 5 GLN
6 6 GLN 7 7 LEU 8 8 ALA 9 9 PRO 10 10 HIS
11 11 LEU 12 12 PRO 13 13 PHE 14 14 LEU 15 15 ARG
16 16 ARG 17 17 TYR 18 18 GLY 19 19 ARG 20 20 ALA
21 21 LEU 22 22 THR 23 23 GLY 24 24 SER 25 25 GLN
26 26 ASN 27 27 GLN 28 28 GLY 29 29 ASP 30 30 LYS
31 31 TYR 32 32 VAL 33 33 ARG 34 34 ALA 35 35 THR
36 36 LEU 37 37 GLU 38 38 ALA 39 39 ILE 40 40 VAL
41 41 ALA 42 42 ALA 43 43 PRO 44 44 ASP 45 45 GLN
46 46 PHE 47 47 PRO 48 48 ARG 49 49 ASP 50 50 VAL
51 51 ASP 52 52 PRO 53 53 ARG 54 54 LEU 55 55 GLY
56 56 LEU 57 57 TYR 58 58 ARG 59 59 MET 60 60 PHE
61 61 GLN 62 62 GLY 63 63 ILE 64 64 TRP 65 65 ALA
66 66 SER 67 67 ALA 68 68 ASN 69 69 ALA 70 70 ASP
71 71 GLY 72 72 GLU 73 73 ALA 74 74 GLN 75 75 THR
76 76 SER 77 77 GLN 78 78 SER 79 79 ASP 80 80 ALA
81 81 GLU 82 82 GLY 83 83 THR 84 84 GLU 85 85 ALA
86 86 VAL 87 87 ALA 88 88 ARG 89 89 ALA 90 90 ARG
91 91 LEU 92 92 ALA 93 93 ARG 94 94 MET 95 95 THR
96 96 PRO 97 97 LEU 98 98 SER 99 99 ARG 100 100 GLN
101 101 ALA 102 102 LEU 103 103 LEU 104 104 LEU 105 105 THR
106 106 ALA 107 107 MET 108 108 GLU 109 109 GLY 110 110 PHE
111 111 SER 112 112 PRO 113 113 GLU 114 114 ASP 115 115 ALA
116 116 ALA 117 117 TYR 118 118 LEU 119 119 ILE 120 120 GLU
121 121 VAL 122 122 ASP 123 123 THR 124 124 SER 125 125 GLU
126 126 VAL 127 127 GLU 128 128 THR 129 129 LEU 130 130 VAL
131 131 THR 132 132 GLU 133 133 ALA 134 134 LEU 135 135 ALA
136 136 GLU 137 137 ILE 138 138 GLU 139 139 LYS 140 140 GLN
141 141 THR 142 142 ARG 143 143 ALA 144 144 LEU 145 145 GLU
146 146 LEU 147 147 VAL 148 148 PRO 149 149 ARG 150 150 GLY
151 151 SER 152 152 HIS 153 153 HIS 154 154 HIS 155 155 HIS
156 156 HIS 157 157 HIS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-11-04
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 2LFW "Nmr Structure Of The Phyrsl-Nepr Complex From Sphingomonas Sp. Fr1" 100.00 157 100.00 100.00 8.77e-109
GB AET62591 "PhyR [Sphingomonas sp. Fr1]" 93.63 269 97.96 98.64 1.10e-95
GB KIU26946 "Phyllosphere-induced regulator PhyR [Sphingomonas taxi]" 93.63 269 97.28 97.96 8.14e-95
REF WP_017979560 "two-component response regulator [Sphingomonas melonis]" 93.63 269 97.96 98.64 1.10e-95
REF WP_043060725 "Phyllosphere-induced regulator PhyR [Sphingomonas taxi]" 93.63 269 97.28 97.96 8.14e-95
stop_
save_
save_NepR_anti_sigma_factor
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common NepR_anti_sigma_factor
_Molecular_mass 6923.098
_Mol_thiol_state 'not present'
_Details .
_Residue_count 62
_Mol_residue_sequence
;
MLDLPGNKDKKASSKKSPAK
VQSKDRDMGAALRSAYQKTI
EEQVPDEMLDLLNKLALELV
PR
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1 MET 2 2 LEU 3 3 ASP 4 4 LEU 5 5 PRO
6 6 GLY 7 7 ASN 8 8 LYS 9 9 ASP 10 10 LYS
11 11 LYS 12 12 ALA 13 13 SER 14 14 SER 15 15 LYS
16 16 LYS 17 17 SER 18 18 PRO 19 19 ALA 20 20 LYS
21 21 VAL 22 22 GLN 23 23 SER 24 24 LYS 25 25 ASP
26 26 ARG 27 27 ASP 28 28 MET 29 29 GLY 30 30 ALA
31 31 ALA 32 32 LEU 33 33 ARG 34 34 SER 35 35 ALA
36 36 TYR 37 37 GLN 38 38 LYS 39 39 THR 40 40 ILE
41 41 GLU 42 42 GLU 43 43 GLN 44 44 VAL 45 45 PRO
46 46 ASP 47 47 GLU 48 48 MET 49 49 LEU 50 50 ASP
51 51 LEU 52 52 LEU 53 53 ASN 54 54 LYS 55 55 LEU
56 56 ALA 57 57 LEU 58 58 GLU 59 59 LEU 60 60 VAL
61 61 PRO 62 62 ARG
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-06-15
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 2LFW "Nmr Structure Of The Phyrsl-Nepr Complex From Sphingomonas Sp. Fr1" 100.00 62 100.00 100.00 2.55e-34
GB AET62590 "NepR [Sphingomonas sp. Fr1]" 90.32 56 100.00 100.00 7.75e-30
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Details
$PhyR_sigma_like_domain 'Sphingomonas sp. Fr1' 907061 Bacteria . Sphingomonas 'Sphingomonas sp. Fr1' 'Alphaproteobacteria living in the phyllosphere'
$NepR_anti_sigma_factor 'Sphingomonas sp. Fr1' 907061 Bacteria . Sphingomonas 'Sphingomonas sp. Fr1' 'Alphaproteobacteria living in the phyllosphere'
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Variant
_Vector_name
$PhyR_sigma_like_domain 'recombinant technology' . Escherichia coli BL21 DE3 pET26bII-PhyRSL
$NepR_anti_sigma_factor 'recombinant technology' . Escherichia coli BL21 DE3 pET26bII-NepR
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
$PhyR_sigma_like_domain 0.8 mM '[U-100% 13C; U-100% 15N]'
$NepR_anti_sigma_factor 0.8 mM 'natural abundance'
'sodium chloride' 50 mM 'natural abundance'
'sodium phosphate' 10 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$PhyR_sigma_like_domain 0.8 mM 'natural abundance'
$NepR_anti_sigma_factor 0.8 mM '[U-100% 13C; U-100% 15N]'
'sodium chloride' 50 mM 'natural abundance'
'sodium phosphate' 10 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CARA
_Saveframe_category software
_Name CARA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Keller and Wuthrich' . www.nmr.ch
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_UNIO
_Saveframe_category software
_Name UNIO
_Version 10
loop_
_Vendor
_Address
_Electronic_address
'(Torsten Herrmann)' . .
stop_
loop_
_Task
'peak picking'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 3
loop_
_Vendor
_Address
_Electronic_address
'CYANA (Peter Guntert)' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_AMBER
_Saveframe_category software
_Name AMBER
_Version 8
loop_
_Vendor
_Address
_Electronic_address
'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_Molmol
_Saveframe_category software
_Name Molmol
_Version 2.2K
loop_
_Vendor
_Address
_Electronic_address
'Koradi, Billeter and Wuthrich' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_Pymol
_Saveframe_category software
_Name PyMol
_Version 1.3
loop_
_Vendor
_Address
_Electronic_address
'Schrodinger, LLC.' . www.pymol.org
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 500
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 700
_Details .
save_
save_spectrometer_4
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 900
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-15N_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_2
save_
save_3D_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_aliphatic_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aliphatic'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_aromatic_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aromatic'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_HNCO_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_2
save_
save_3D_HNCACB_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_2
save_
save_3D_CBCA(CO)NH_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_2
save_
save_3D_HCCH-TOCSY_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_2
save_
save_3D_1H-15N_NOESY_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_2
save_
save_3D_1H-13C_NOESY_aliphatic_15
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aliphatic'
_Sample_label $sample_2
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.06 . M
pH 6.8 . pH
pressure 1 . atm
temperature 303 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D 1H-15N NOESY'
'3D 1H-13C NOESY aliphatic'
'3D 1H-13C NOESY aromatic'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name PhyR_sigma_like_domain
_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 3 3 LEU HA H 4.235 0.020 1
2 3 3 LEU HB2 H 1.447 0.020 2
3 3 3 LEU HB3 H 1.581 0.020 2
4 3 3 LEU HG H 1.224 0.020 1
5 3 3 LEU HD1 H 0.487 0.020 1
6 3 3 LEU HD2 H 0.478 0.020 1
7 3 3 LEU CA C 57.884 0.3 1
8 3 3 LEU CB C 41.701 0.3 1
9 3 3 LEU CG C 26.874 0.3 1
10 3 3 LEU CD1 C 25.094 0.3 1
11 3 3 LEU CD2 C 22.331 0.3 1
12 4 4 GLY H H 8.541 0.020 1
13 4 4 GLY HA2 H 3.521 0.020 2
14 4 4 GLY HA3 H 4.048 0.020 2
15 4 4 GLY CA C 48.394 0.3 1
16 4 4 GLY N N 104.534 0.3 1
17 5 5 GLN H H 7.472 0.020 1
18 5 5 GLN HA H 4.078 0.020 1
19 5 5 GLN HB2 H 2.101 0.020 2
20 5 5 GLN HB3 H 2.157 0.020 2
21 5 5 GLN HG2 H 2.340 0.020 2
22 5 5 GLN HG3 H 2.390 0.020 2
23 5 5 GLN HE21 H 6.890 0.020 1
24 5 5 GLN HE22 H 7.542 0.020 1
25 5 5 GLN C C 178.736 0.3 1
26 5 5 GLN CA C 58.262 0.3 1
27 5 5 GLN CB C 28.675 0.3 1
28 5 5 GLN CG C 34.211 0.3 1
29 5 5 GLN N N 118.346 0.3 1
30 5 5 GLN NE2 N 113.997 0.3 1
31 6 6 GLN H H 7.763 0.020 1
32 6 6 GLN HA H 4.164 0.020 1
33 6 6 GLN HB2 H 2.329 0.020 2
34 6 6 GLN HB3 H 2.093 0.020 2
35 6 6 GLN HG2 H 2.439 0.020 2
36 6 6 GLN HG3 H 2.615 0.020 2
37 6 6 GLN HE21 H 6.751 0.020 1
38 6 6 GLN HE22 H 7.365 0.020 1
39 6 6 GLN C C 178.107 0.3 1
40 6 6 GLN CA C 58.020 0.3 1
41 6 6 GLN CB C 29.312 0.3 1
42 6 6 GLN CG C 34.668 0.3 1
43 6 6 GLN N N 116.814 0.3 1
44 6 6 GLN NE2 N 110.696 0.3 1
45 7 7 LEU H H 7.862 0.020 1
46 7 7 LEU HA H 4.388 0.020 1
47 7 7 LEU HB2 H 1.870 0.020 2
48 7 7 LEU HB3 H 1.258 0.020 2
49 7 7 LEU HG H 1.225 0.020 1
50 7 7 LEU HD1 H 0.883 0.020 1
51 7 7 LEU HD2 H 0.553 0.020 1
52 7 7 LEU CA C 56.178 0.3 1
53 7 7 LEU CB C 42.617 0.3 1
54 7 7 LEU CG C 26.877 0.3 1
55 7 7 LEU CD1 C 25.107 0.3 1
56 7 7 LEU CD2 C 25.409 0.3 1
57 7 7 LEU N N 114.580 0.3 1
58 8 8 ALA H H 7.544 0.020 1
59 8 8 ALA HA H 3.962 0.020 1
60 8 8 ALA HB H 1.475 0.020 1
61 8 8 ALA C C 176.382 0.3 1
62 8 8 ALA CA C 57.476 0.3 1
63 8 8 ALA CB C 16.184 0.3 1
64 8 8 ALA N N 120.448 0.3 1
65 9 9 PRO HA H 4.317 0.020 1
66 9 9 PRO HB2 H 1.095 0.020 2
67 9 9 PRO HB3 H 2.218 0.020 2
68 9 9 PRO HG2 H 1.587 0.020 2
69 9 9 PRO HG3 H 1.843 0.020 2
70 9 9 PRO HD2 H 3.308 0.020 2
71 9 9 PRO HD3 H 3.677 0.020 2
72 9 9 PRO CA C 64.927 0.3 1
73 9 9 PRO CB C 31.338 0.3 1
74 9 9 PRO CG C 27.621 0.3 1
75 9 9 PRO CD C 50.742 0.3 1
76 10 10 HIS H H 7.425 0.020 1
77 10 10 HIS HA H 5.146 0.020 1
78 10 10 HIS HB2 H 3.121 0.020 2
79 10 10 HIS HB3 H 3.413 0.020 2
80 10 10 HIS HD2 H 7.268 0.020 1
81 10 10 HIS HE1 H 7.820 0.020 1
82 10 10 HIS CA C 56.129 0.3 1
83 10 10 HIS CB C 32.435 0.3 1
84 10 10 HIS CD2 C 118.114 0.3 1
85 10 10 HIS CE1 C 139.872 0.3 1
86 10 10 HIS N N 112.097 0.3 1
87 11 11 LEU H H 7.647 0.020 1
88 11 11 LEU HA H 4.189 0.020 1
89 11 11 LEU HB2 H 1.600 0.020 2
90 11 11 LEU HB3 H 1.902 0.020 2
91 11 11 LEU HG H 1.844 0.020 1
92 11 11 LEU HD1 H 0.969 0.020 1
93 11 11 LEU HD2 H 0.903 0.020 1
94 11 11 LEU CA C 58.569 0.3 1
95 11 11 LEU CB C 40.271 0.3 1
96 11 11 LEU CG C 27.463 0.3 1
97 11 11 LEU CD1 C 25.992 0.3 1
98 11 11 LEU CD2 C 24.659 0.3 1
99 11 11 LEU N N 121.080 0.3 1
100 12 12 PRO HA H 4.084 0.020 1
101 12 12 PRO HB2 H 2.418 0.020 1
102 12 12 PRO HB3 H 2.418 0.020 1
103 12 12 PRO HG2 H 2.010 0.020 2
104 12 12 PRO HG3 H 1.725 0.020 2
105 12 12 PRO HD2 H 3.643 0.020 2
106 12 12 PRO HD3 H 3.549 0.020 2
107 12 12 PRO CA C 66.539 0.3 1
108 12 12 PRO CB C 31.831 0.3 1
109 12 12 PRO CG C 28.770 0.3 1
110 12 12 PRO CD C 50.338 0.3 1
111 13 13 PHE H H 6.473 0.020 1
112 13 13 PHE HA H 4.033 0.020 1
113 13 13 PHE HB2 H 3.308 0.020 2
114 13 13 PHE HB3 H 3.605 0.020 2
115 13 13 PHE HD1 H 7.397 0.020 1
116 13 13 PHE HD2 H 7.397 0.020 1
117 13 13 PHE HE1 H 7.487 0.020 1
118 13 13 PHE HE2 H 7.487 0.020 1
119 13 13 PHE HZ H 7.353 0.020 1
120 13 13 PHE C C 176.783 0.3 1
121 13 13 PHE CA C 59.796 0.3 1
122 13 13 PHE CB C 37.968 0.3 1
123 13 13 PHE CD2 C 131.683 0.3 1
124 13 13 PHE CE2 C 131.803 0.3 1
125 13 13 PHE CZ C 129.991 0.3 1
126 13 13 PHE N N 114.105 0.3 1
127 14 14 LEU H H 8.040 0.020 1
128 14 14 LEU HA H 3.782 0.020 1
129 14 14 LEU HB2 H 1.787 0.020 2
130 14 14 LEU HB3 H 1.045 0.020 2
131 14 14 LEU HG H 1.205 0.020 1
132 14 14 LEU HD1 H -0.278 0.020 1
133 14 14 LEU HD2 H 0.789 0.020 1
134 14 14 LEU C C 179.161 0.3 1
135 14 14 LEU CA C 57.467 0.3 1
136 14 14 LEU CB C 41.541 0.3 1
137 14 14 LEU CG C 25.398 0.3 1
138 14 14 LEU CD1 C 20.443 0.3 1
139 14 14 LEU CD2 C 25.724 0.3 1
140 14 14 LEU N N 121.148 0.3 1
141 15 15 ARG H H 8.376 0.020 1
142 15 15 ARG HA H 3.746 0.020 1
143 15 15 ARG HB2 H 1.854 0.020 1
144 15 15 ARG HB3 H 1.854 0.020 1
145 15 15 ARG HG2 H 1.370 0.020 1
146 15 15 ARG HG3 H 1.370 0.020 1
147 15 15 ARG HD2 H 3.152 0.020 1
148 15 15 ARG HD3 H 3.152 0.020 1
149 15 15 ARG C C 179.179 0.3 1
150 15 15 ARG CA C 60.118 0.3 1
151 15 15 ARG CB C 29.859 0.3 1
152 15 15 ARG CG C 28.606 0.3 1
153 15 15 ARG CD C 43.389 0.3 1
154 15 15 ARG N N 115.281 0.3 1
155 16 16 ARG H H 7.693 0.020 1
156 16 16 ARG HA H 3.719 0.020 1
157 16 16 ARG HB2 H 0.989 0.020 1
158 16 16 ARG HB3 H 0.989 0.020 1
159 16 16 ARG HG2 H 1.484 0.020 1
160 16 16 ARG HG3 H 1.484 0.020 1
161 16 16 ARG HD2 H 2.832 0.020 1
162 16 16 ARG HD3 H 2.832 0.020 1
163 16 16 ARG C C 175.941 0.3 1
164 16 16 ARG CA C 60.450 0.3 1
165 16 16 ARG CB C 31.762 0.3 1
166 16 16 ARG CD C 43.644 0.3 1
167 16 16 ARG N N 123.463 0.3 1
168 17 17 TYR H H 8.322 0.020 1
169 17 17 TYR HA H 3.975 0.020 1
170 17 17 TYR HB2 H 3.234 0.020 2
171 17 17 TYR HB3 H 2.631 0.020 2
172 17 17 TYR HD1 H 7.090 0.020 1
173 17 17 TYR HD2 H 7.090 0.020 1
174 17 17 TYR HE1 H 6.378 0.020 1
175 17 17 TYR HE2 H 6.378 0.020 1
176 17 17 TYR C C 176.839 0.3 1
177 17 17 TYR CA C 60.964 0.3 1
178 17 17 TYR CB C 37.796 0.3 1
179 17 17 TYR CD2 C 133.135 0.3 1
180 17 17 TYR CE2 C 117.674 0.3 1
181 17 17 TYR N N 120.481 0.3 1
182 18 18 GLY H H 8.817 0.020 1
183 18 18 GLY HA2 H 3.234 0.020 2
184 18 18 GLY HA3 H 3.303 0.020 2
185 18 18 GLY C C 176.036 0.3 1
186 18 18 GLY CA C 47.410 0.3 1
187 18 18 GLY N N 103.076 0.3 1
188 19 19 ARG H H 8.068 0.020 1
189 19 19 ARG HA H 3.856 0.020 1
190 19 19 ARG HB2 H 1.849 0.020 1
191 19 19 ARG HB3 H 1.849 0.020 1
192 19 19 ARG HG2 H 1.380 0.020 1
193 19 19 ARG HG3 H 1.380 0.020 1
194 19 19 ARG HD2 H 3.133 0.020 1
195 19 19 ARG HD3 H 3.133 0.020 1
196 19 19 ARG C C 177.606 0.3 1
197 19 19 ARG CA C 58.654 0.3 1
198 19 19 ARG CB C 30.302 0.3 1
199 19 19 ARG CG C 28.580 0.3 1
200 19 19 ARG CD C 44.845 0.3 1
201 19 19 ARG N N 124.437 0.3 1
202 20 20 ALA H H 7.935 0.020 1
203 20 20 ALA HA H 3.588 0.020 1
204 20 20 ALA HB H 0.759 0.020 1
205 20 20 ALA C C 178.872 0.3 1
206 20 20 ALA CA C 54.500 0.3 1
207 20 20 ALA CB C 19.598 0.3 1
208 20 20 ALA N N 122.909 0.3 1
209 21 21 LEU H H 8.336 0.020 1
210 21 21 LEU HA H 3.467 0.020 1
211 21 21 LEU HB2 H 0.968 0.020 2
212 21 21 LEU HB3 H 0.647 0.020 2
213 21 21 LEU HG H 0.572 0.020 1
214 21 21 LEU HD1 H 0.141 0.020 1
215 21 21 LEU HD2 H -0.358 0.020 1
216 21 21 LEU C C 178.410 0.3 1
217 21 21 LEU CA C 57.502 0.3 1
218 21 21 LEU CB C 42.797 0.3 1
219 21 21 LEU CG C 26.199 0.3 1
220 21 21 LEU CD1 C 23.031 0.3 1
221 21 21 LEU CD2 C 23.460 0.3 1
222 21 21 LEU N N 116.531 0.3 1
223 22 22 THR H H 7.310 0.020 1
224 22 22 THR HA H 4.368 0.020 1
225 22 22 THR HB H 4.291 0.020 1
226 22 22 THR HG2 H 1.312 0.020 1
227 22 22 THR C C 176.560 0.3 1
228 22 22 THR CA C 62.661 0.3 1
229 22 22 THR CB C 70.699 0.3 1
230 22 22 THR CG2 C 21.030 0.3 1
231 22 22 THR N N 103.627 0.3 1
232 23 23 GLY H H 7.852 0.020 1
233 23 23 GLY HA2 H 4.413 0.020 2
234 23 23 GLY HA3 H 3.879 0.020 2
235 23 23 GLY C C 173.769 0.3 1
236 23 23 GLY CA C 45.598 0.3 1
237 23 23 GLY N N 110.841 0.3 1
238 24 24 SER H H 8.015 0.020 1
239 24 24 SER HA H 4.812 0.020 1
240 24 24 SER HB2 H 3.820 0.020 2
241 24 24 SER HB3 H 4.069 0.020 2
242 24 24 SER C C 173.970 0.3 1
243 24 24 SER CA C 56.693 0.3 1
244 24 24 SER CB C 65.646 0.3 1
245 24 24 SER N N 112.602 0.3 1
246 25 25 GLN H H 8.093 0.020 1
247 25 25 GLN HA H 4.088 0.020 1
248 25 25 GLN HB2 H 2.095 0.020 2
249 25 25 GLN HB3 H 2.113 0.020 2
250 25 25 GLN HG2 H 2.246 0.020 2
251 25 25 GLN HG3 H 2.330 0.020 2
252 25 25 GLN C C 177.179 0.3 1
253 25 25 GLN CA C 58.860 0.3 1
254 25 25 GLN CB C 29.428 0.3 1
255 25 25 GLN CG C 35.899 0.3 1
256 25 25 GLN N N 121.189 0.3 1
257 26 26 ASN H H 8.532 0.020 1
258 26 26 ASN HA H 4.348 0.020 1
259 26 26 ASN HB2 H 2.661 0.020 2
260 26 26 ASN HB3 H 2.770 0.020 2
261 26 26 ASN HD21 H 6.946 0.020 1
262 26 26 ASN HD22 H 7.680 0.020 1
263 26 26 ASN C C 178.085 0.3 1
264 26 26 ASN CA C 56.589 0.3 1
265 26 26 ASN CB C 38.632 0.3 1
266 26 26 ASN N N 116.217 0.3 1
267 26 26 ASN ND2 N 112.841 0.3 1
268 27 27 GLN H H 7.927 0.020 1
269 27 27 GLN HA H 4.026 0.020 1
270 27 27 GLN HB2 H 2.139 0.020 2
271 27 27 GLN HB3 H 2.100 0.020 2
272 27 27 GLN HG2 H 2.439 0.020 2
273 27 27 GLN HG3 H 2.385 0.020 2
274 27 27 GLN HE21 H 7.002 0.020 1
275 27 27 GLN HE22 H 7.269 0.020 1
276 27 27 GLN C C 178.054 0.3 1
277 27 27 GLN CA C 58.241 0.3 1
278 27 27 GLN CB C 28.406 0.3 1
279 27 27 GLN CG C 33.892 0.3 1
280 27 27 GLN N N 118.881 0.3 1
281 27 27 GLN NE2 N 111.850 0.3 1
282 28 28 GLY H H 8.400 0.020 1
283 28 28 GLY HA2 H 3.479 0.020 2
284 28 28 GLY HA3 H 3.728 0.020 2
285 28 28 GLY C C 176.245 0.3 1
286 28 28 GLY CA C 48.489 0.3 1
287 28 28 GLY N N 108.114 0.3 1
288 29 29 ASP H H 8.523 0.020 1
289 29 29 ASP HA H 4.361 0.020 1
290 29 29 ASP HB2 H 2.414 0.020 2
291 29 29 ASP HB3 H 2.814 0.020 2
292 29 29 ASP C C 178.784 0.3 1
293 29 29 ASP CA C 56.667 0.3 1
294 29 29 ASP CB C 39.538 0.3 1
295 29 29 ASP N N 119.935 0.3 1
296 30 30 LYS H H 7.590 0.020 1
297 30 30 LYS HA H 3.907 0.020 1
298 30 30 LYS HB2 H 1.784 0.020 1
299 30 30 LYS HB3 H 1.784 0.020 1
300 30 30 LYS HG2 H 0.834 0.020 2
301 30 30 LYS HG3 H 1.344 0.020 2
302 30 30 LYS HD2 H 1.356 0.020 2
303 30 30 LYS HD3 H 1.446 0.020 2
304 30 30 LYS HE2 H 2.684 0.020 2
305 30 30 LYS HE3 H 2.748 0.020 2
306 30 30 LYS C C 179.817 0.3 1
307 30 30 LYS CA C 59.891 0.3 1
308 30 30 LYS CB C 31.560 0.3 1
309 30 30 LYS CG C 24.546 0.3 1
310 30 30 LYS CD C 29.443 0.3 1
311 30 30 LYS CE C 42.037 0.3 1
312 30 30 LYS N N 122.655 0.3 1
313 31 31 TYR H H 7.584 0.020 1
314 31 31 TYR HA H 4.384 0.020 1
315 31 31 TYR HB2 H 2.826 0.020 2
316 31 31 TYR HB3 H 3.043 0.020 2
317 31 31 TYR HD1 H 7.096 0.020 1
318 31 31 TYR HD2 H 7.096 0.020 1
319 31 31 TYR HE1 H 6.804 0.020 1
320 31 31 TYR HE2 H 6.804 0.020 1
321 31 31 TYR C C 179.531 0.3 1
322 31 31 TYR CA C 61.325 0.3 1
323 31 31 TYR CB C 38.495 0.3 1
324 31 31 TYR CD1 C 132.171 0.3 1
325 31 31 TYR CE1 C 118.310 0.3 1
326 31 31 TYR N N 117.853 0.3 1
327 32 32 VAL H H 8.986 0.020 1
328 32 32 VAL HA H 3.757 0.020 1
329 32 32 VAL HB H 2.346 0.020 1
330 32 32 VAL HG1 H 1.063 0.020 1
331 32 32 VAL HG2 H 0.984 0.020 1
332 32 32 VAL CA C 68.656 0.3 1
333 32 32 VAL CB C 31.623 0.3 1
334 32 32 VAL CG1 C 23.622 0.3 1
335 32 32 VAL CG2 C 23.162 0.3 1
336 32 32 VAL N N 125.473 0.3 1
337 33 33 ARG H H 9.005 0.020 1
338 33 33 ARG HA H 3.751 0.020 1
339 33 33 ARG HB2 H 1.934 0.020 2
340 33 33 ARG HB3 H 1.891 0.020 2
341 33 33 ARG HG2 H 1.373 0.020 2
342 33 33 ARG HG3 H 1.623 0.020 2
343 33 33 ARG HD2 H 3.153 0.020 1
344 33 33 ARG HD3 H 3.153 0.020 1
345 33 33 ARG C C 177.769 0.3 1
346 33 33 ARG CA C 61.340 0.3 1
347 33 33 ARG CB C 29.711 0.3 1
348 33 33 ARG CG C 28.529 0.3 1
349 33 33 ARG CD C 43.226 0.3 1
350 33 33 ARG N N 120.469 0.3 1
351 34 34 ALA H H 8.077 0.020 1
352 34 34 ALA HA H 4.211 0.020 1
353 34 34 ALA HB H 1.544 0.020 1
354 34 34 ALA C C 180.630 0.3 1
355 34 34 ALA CA C 55.021 0.3 1
356 34 34 ALA CB C 18.111 0.3 1
357 34 34 ALA N N 119.091 0.3 1
358 35 35 THR H H 8.025 0.020 1
359 35 35 THR HA H 3.829 0.020 1
360 35 35 THR HB H 4.699 0.020 1
361 35 35 THR HG2 H 1.218 0.020 1
362 35 35 THR CA C 67.861 0.3 1
363 35 35 THR CG2 C 21.545 0.3 1
364 35 35 THR N N 118.003 0.3 1
365 36 36 LEU H H 7.895 0.020 1
366 36 36 LEU HA H 3.951 0.020 1
367 36 36 LEU HB2 H 2.133 0.020 2
368 36 36 LEU HB3 H 2.171 0.020 2
369 36 36 LEU HG H 1.249 0.020 1
370 36 36 LEU HD1 H 0.939 0.020 1
371 36 36 LEU HD2 H 0.739 0.020 1
372 36 36 LEU C C 178.916 0.3 1
373 36 36 LEU CA C 58.135 0.3 1
374 36 36 LEU CB C 42.746 0.3 1
375 36 36 LEU CD1 C 25.992 0.3 1
376 36 36 LEU CD2 C 21.930 0.3 1
377 36 36 LEU N N 119.513 0.3 1
378 37 37 GLU H H 8.873 0.020 1
379 37 37 GLU HA H 3.785 0.020 1
380 37 37 GLU HB2 H 2.112 0.020 2
381 37 37 GLU HB3 H 1.954 0.020 2
382 37 37 GLU HG2 H 2.179 0.020 2
383 37 37 GLU HG3 H 2.486 0.020 2
384 37 37 GLU C C 179.101 0.3 1
385 37 37 GLU CA C 59.911 0.3 1
386 37 37 GLU CB C 29.563 0.3 1
387 37 37 GLU CG C 37.646 0.3 1
388 37 37 GLU N N 117.827 0.3 1
389 38 38 ALA H H 7.893 0.020 1
390 38 38 ALA HA H 4.159 0.020 1
391 38 38 ALA HB H 1.557 0.020 1
392 38 38 ALA C C 180.366 0.3 1
393 38 38 ALA CA C 54.851 0.3 1
394 38 38 ALA CB C 17.989 0.3 1
395 38 38 ALA N N 122.279 0.3 1
396 39 39 ILE H H 7.745 0.020 1
397 39 39 ILE HA H 3.681 0.020 1
398 39 39 ILE HB H 1.870 0.020 1
399 39 39 ILE HG12 H 1.099 0.020 2
400 39 39 ILE HG13 H 1.066 0.020 2
401 39 39 ILE HG2 H 0.868 0.020 1
402 39 39 ILE HD1 H 0.915 0.020 1
403 39 39 ILE C C 178.388 0.3 1
404 39 39 ILE CA C 65.333 0.3 1
405 39 39 ILE CB C 38.262 0.3 1
406 39 39 ILE CG1 C 29.426 0.3 1
407 39 39 ILE CG2 C 19.136 0.3 1
408 39 39 ILE CD1 C 14.885 0.3 1
409 39 39 ILE N N 119.315 0.3 1
410 40 40 VAL H H 8.050 0.020 1
411 40 40 VAL HA H 3.418 0.020 1
412 40 40 VAL HB H 2.037 0.020 1
413 40 40 VAL HG1 H 0.885 0.020 1
414 40 40 VAL HG2 H 0.978 0.020 1
415 40 40 VAL CA C 65.945 0.3 1
416 40 40 VAL CB C 31.826 0.3 1
417 40 40 VAL CG1 C 21.850 0.3 1
418 40 40 VAL CG2 C 24.523 0.3 1
419 40 40 VAL N N 116.986 0.3 1
420 41 41 ALA H H 7.744 0.020 1
421 41 41 ALA HA H 4.099 0.020 1
422 41 41 ALA HB H 1.430 0.020 1
423 41 41 ALA C C 178.390 0.3 1
424 41 41 ALA CA C 53.964 0.3 1
425 41 41 ALA CB C 18.634 0.3 1
426 41 41 ALA N N 118.296 0.3 1
427 42 42 ALA H H 7.299 0.020 1
428 42 42 ALA HA H 4.782 0.020 1
429 42 42 ALA HB H 1.260 0.020 1
430 42 42 ALA C C 173.901 0.3 1
431 42 42 ALA CA C 50.302 0.3 1
432 42 42 ALA CB C 18.645 0.3 1
433 42 42 ALA N N 117.703 0.3 1
434 43 43 PRO HA H 4.392 0.020 1
435 43 43 PRO HB2 H 2.119 0.020 2
436 43 43 PRO HB3 H 1.917 0.020 2
437 43 43 PRO HG2 H 2.018 0.020 2
438 43 43 PRO HG3 H 2.115 0.020 2
439 43 43 PRO HD2 H 3.647 0.020 2
440 43 43 PRO HD3 H 3.769 0.020 2
441 43 43 PRO C C 178.548 0.3 1
442 43 43 PRO CA C 65.879 0.3 1
443 43 43 PRO CB C 31.465 0.3 1
444 43 43 PRO CG C 27.320 0.3 1
445 43 43 PRO CD C 49.689 0.3 1
446 44 44 ASP H H 8.634 0.020 1
447 44 44 ASP HA H 4.412 0.020 1
448 44 44 ASP HB2 H 2.673 0.020 1
449 44 44 ASP HB3 H 2.673 0.020 1
450 44 44 ASP C C 176.871 0.3 1
451 44 44 ASP CA C 55.344 0.3 1
452 44 44 ASP CB C 39.858 0.3 1
453 44 44 ASP N N 114.966 0.3 1
454 45 45 GLN H H 8.033 0.020 1
455 45 45 GLN HA H 4.235 0.020 1
456 45 45 GLN HB2 H 2.048 0.020 2
457 45 45 GLN HB3 H 2.292 0.020 2
458 45 45 GLN HG2 H 2.339 0.020 2
459 45 45 GLN HG3 H 2.382 0.020 2
460 45 45 GLN HE21 H 7.483 0.020 1
461 45 45 GLN HE22 H 6.766 0.020 1
462 45 45 GLN C C 175.904 0.3 1
463 45 45 GLN CA C 55.561 0.3 1
464 45 45 GLN CB C 28.658 0.3 1
465 45 45 GLN CG C 34.268 0.3 1
466 45 45 GLN N N 116.921 0.3 1
467 45 45 GLN NE2 N 113.011 0.3 1
468 46 46 PHE H H 7.585 0.020 1
469 46 46 PHE HA H 4.629 0.020 1
470 46 46 PHE HB2 H 2.976 0.020 2
471 46 46 PHE HB3 H 3.119 0.020 2
472 46 46 PHE HD1 H 7.162 0.020 1
473 46 46 PHE HD2 H 7.162 0.020 1
474 46 46 PHE HE1 H 7.214 0.020 1
475 46 46 PHE HE2 H 7.214 0.020 1
476 46 46 PHE HZ H 7.713 0.020 1
477 46 46 PHE C C 174.130 0.3 1
478 46 46 PHE CA C 57.140 0.3 1
479 46 46 PHE CB C 39.942 0.3 1
480 46 46 PHE CD1 C 132.748 0.3 1
481 46 46 PHE CE1 C 130.493 0.3 1
482 46 46 PHE CZ C 130.037 0.3 1
483 46 46 PHE N N 123.776 0.3 1
484 47 47 PRO HA H 4.175 0.020 1
485 47 47 PRO HB2 H 1.572 0.020 2
486 47 47 PRO HB3 H 2.193 0.020 2
487 47 47 PRO HG2 H 1.738 0.020 2
488 47 47 PRO HG3 H 1.606 0.020 2
489 47 47 PRO HD2 H 3.660 0.020 1
490 47 47 PRO HD3 H 3.660 0.020 1
491 47 47 PRO CA C 63.683 0.3 1
492 47 47 PRO CB C 32.240 0.3 1
493 47 47 PRO CG C 27.460 0.3 1
494 47 47 PRO CD C 50.153 0.3 1
495 48 48 ARG H H 8.397 0.020 1
496 48 48 ARG HA H 4.534 0.020 1
497 48 48 ARG HB2 H 1.746 0.020 2
498 48 48 ARG HB3 H 2.040 0.020 2
499 48 48 ARG HG2 H 1.803 0.020 1
500 48 48 ARG HG3 H 1.803 0.020 1
501 48 48 ARG HD2 H 3.270 0.020 1
502 48 48 ARG HD3 H 3.270 0.020 1
503 48 48 ARG C C 176.717 0.3 1
504 48 48 ARG CA C 55.417 0.3 1
505 48 48 ARG CB C 31.500 0.3 1
506 48 48 ARG CG C 27.472 0.3 1
507 48 48 ARG CD C 43.310 0.3 1
508 48 48 ARG N N 120.350 0.3 1
509 49 49 ASP H H 8.859 0.020 1
510 49 49 ASP HA H 4.466 0.020 1
511 49 49 ASP HB2 H 2.621 0.020 2
512 49 49 ASP HB3 H 2.793 0.020 2
513 49 49 ASP C C 176.643 0.3 1
514 49 49 ASP CA C 54.379 0.3 1
515 49 49 ASP CB C 39.773 0.3 1
516 49 49 ASP N N 117.000 0.3 1
517 50 50 VAL H H 6.858 0.020 1
518 50 50 VAL HA H 4.413 0.020 1
519 50 50 VAL HB H 1.958 0.020 1
520 50 50 VAL HG1 H 0.413 0.020 1
521 50 50 VAL HG2 H 0.419 0.020 1
522 50 50 VAL C C 174.834 0.3 1
523 50 50 VAL CA C 58.241 0.3 1
524 50 50 VAL CB C 36.198 0.3 1
525 50 50 VAL CG1 C 21.218 0.3 1
526 50 50 VAL CG2 C 17.418 0.3 1
527 50 50 VAL N N 109.001 0.3 1
528 51 51 ASP H H 8.446 0.020 1
529 51 51 ASP HA H 4.671 0.020 1
530 51 51 ASP HB2 H 2.533 0.020 2
531 51 51 ASP HB3 H 2.779 0.020 2
532 51 51 ASP CA C 52.875 0.3 1
533 51 51 ASP CB C 42.077 0.3 1
534 51 51 ASP N N 122.884 0.3 1
535 52 52 PRO HA H 4.164 0.020 1
536 52 52 PRO HB2 H 2.500 0.020 2
537 52 52 PRO HB3 H 2.092 0.020 2
538 52 52 PRO HG2 H 2.283 0.020 2
539 52 52 PRO HG3 H 2.129 0.020 2
540 52 52 PRO HD2 H 3.877 0.020 2
541 52 52 PRO HD3 H 3.943 0.020 2
542 52 52 PRO CA C 66.381 0.3 1
543 52 52 PRO CB C 31.991 0.3 1
544 52 52 PRO CG C 28.016 0.3 1
545 52 52 PRO CD C 50.802 0.3 1
546 53 53 ARG H H 8.267 0.020 1
547 53 53 ARG HA H 3.531 0.020 1
548 53 53 ARG HB2 H 1.294 0.020 1
549 53 53 ARG HB3 H 1.294 0.020 1
550 53 53 ARG HG2 H 0.639 0.020 2
551 53 53 ARG HG3 H 0.670 0.020 2
552 53 53 ARG HD2 H 2.842 0.020 2
553 53 53 ARG HD3 H 2.934 0.020 2
554 53 53 ARG C C 177.871 0.3 1
555 53 53 ARG CA C 60.878 0.3 1
556 53 53 ARG CB C 28.693 0.3 1
557 53 53 ARG CG C 29.897 0.3 1
558 53 53 ARG CD C 43.316 0.3 1
559 53 53 ARG N N 116.712 0.3 1
560 54 54 LEU H H 7.271 0.020 1
561 54 54 LEU HA H 3.925 0.020 1
562 54 54 LEU HB2 H 1.688 0.020 1
563 54 54 LEU HB3 H 1.688 0.020 1
564 54 54 LEU HG H 1.474 0.020 1
565 54 54 LEU HD1 H 0.671 0.020 1
566 54 54 LEU HD2 H 0.531 0.020 1
567 54 54 LEU C C 179.465 0.3 1
568 54 54 LEU CA C 57.904 0.3 1
569 54 54 LEU CB C 42.014 0.3 1
570 54 54 LEU CG C 26.863 0.3 1
571 54 54 LEU CD1 C 25.459 0.3 1
572 54 54 LEU CD2 C 25.373 0.3 1
573 54 54 LEU N N 119.611 0.3 1
574 55 55 GLY H H 8.587 0.020 1
575 55 55 GLY HA2 H 3.137 0.020 2
576 55 55 GLY HA3 H 3.317 0.020 2
577 55 55 GLY C C 174.527 0.3 1
578 55 55 GLY CA C 47.516 0.3 1
579 55 55 GLY N N 104.780 0.3 1
580 56 56 LEU H H 8.587 0.020 1
581 56 56 LEU HA H 4.223 0.020 1
582 56 56 LEU HB2 H 1.969 0.020 2
583 56 56 LEU HB3 H 2.475 0.020 2
584 56 56 LEU HG H 1.055 0.020 1
585 56 56 LEU HD1 H 0.845 0.020 1
586 56 56 LEU HD2 H 0.977 0.020 1
587 56 56 LEU C C 178.380 0.3 1
588 56 56 LEU CA C 58.688 0.3 1
589 56 56 LEU CB C 41.927 0.3 1
590 56 56 LEU CG C 26.591 0.3 1
591 56 56 LEU CD1 C 23.177 0.3 1
592 56 56 LEU CD2 C 22.203 0.3 1
593 56 56 LEU N N 122.670 0.3 1
594 57 57 TYR H H 8.391 0.020 1
595 57 57 TYR HA H 4.127 0.020 1
596 57 57 TYR HB2 H 2.469 0.020 2
597 57 57 TYR HB3 H 2.974 0.020 2
598 57 57 TYR HD1 H 7.085 0.020 1
599 57 57 TYR HD2 H 7.085 0.020 1
600 57 57 TYR HE1 H 6.377 0.020 1
601 57 57 TYR HE2 H 6.377 0.020 1
602 57 57 TYR C C 178.233 0.3 1
603 57 57 TYR CA C 62.229 0.3 1
604 57 57 TYR CB C 38.330 0.3 1
605 57 57 TYR CD1 C 133.136 0.3 1
606 57 57 TYR CE1 C 117.772 0.3 1
607 57 57 TYR N N 118.074 0.3 1
608 58 58 ARG H H 8.720 0.020 1
609 58 58 ARG HA H 3.888 0.020 1
610 58 58 ARG HB2 H 2.168 0.020 2
611 58 58 ARG HB3 H 1.851 0.020 2
612 58 58 ARG HG2 H 1.377 0.020 2
613 58 58 ARG HG3 H 1.732 0.020 2
614 58 58 ARG HD2 H 2.479 0.020 2
615 58 58 ARG HD3 H 2.897 0.020 2
616 58 58 ARG C C 178.748 0.3 1
617 58 58 ARG CA C 58.620 0.3 1
618 58 58 ARG CB C 29.564 0.3 1
619 58 58 ARG CG C 26.119 0.3 1
620 58 58 ARG CD C 42.896 0.3 1
621 58 58 ARG N N 122.671 0.3 1
622 59 59 MET H H 8.136 0.020 1
623 59 59 MET HA H 4.368 0.020 1
624 59 59 MET HB2 H 2.134 0.020 2
625 59 59 MET HB3 H 2.291 0.020 2
626 59 59 MET HG2 H 2.663 0.020 2
627 59 59 MET HG3 H 2.714 0.020 2
628 59 59 MET HE H 2.023 0.020 1
629 59 59 MET C C 178.847 0.3 1
630 59 59 MET CA C 57.633 0.3 1
631 59 59 MET CB C 31.313 0.3 1
632 59 59 MET CG C 32.244 0.3 1
633 59 59 MET CE C 16.357 0.3 1
634 59 59 MET N N 119.386 0.3 1
635 60 60 PHE H H 8.179 0.020 1
636 60 60 PHE HA H 4.126 0.020 1
637 60 60 PHE HB2 H 3.012 0.020 2
638 60 60 PHE HB3 H 3.413 0.020 2
639 60 60 PHE HD1 H 7.107 0.020 1
640 60 60 PHE HD2 H 7.107 0.020 1
641 60 60 PHE HE1 H 6.907 0.020 1
642 60 60 PHE HE2 H 6.907 0.020 1
643 60 60 PHE HZ H 6.648 0.020 1
644 60 60 PHE C C 176.922 0.3 1
645 60 60 PHE CA C 60.675 0.3 1
646 60 60 PHE CB C 39.762 0.3 1
647 60 60 PHE CD2 C 131.812 0.3 1
648 60 60 PHE CE2 C 130.966 0.3 1
649 60 60 PHE N N 121.169 0.3 1
650 61 61 GLN H H 8.786 0.020 1
651 61 61 GLN HA H 4.035 0.020 1
652 61 61 GLN HB2 H 2.540 0.020 2
653 61 61 GLN HB3 H 2.329 0.020 2
654 61 61 GLN HG2 H 2.509 0.020 2
655 61 61 GLN HG3 H 2.750 0.020 2
656 61 61 GLN HE21 H 6.863 0.020 1
657 61 61 GLN HE22 H 6.969 0.020 1
658 61 61 GLN C C 178.983 0.3 1
659 61 61 GLN CA C 58.655 0.3 1
660 61 61 GLN CB C 29.423 0.3 1
661 61 61 GLN CG C 35.532 0.3 1
662 61 61 GLN N N 119.284 0.3 1
663 61 61 GLN NE2 N 106.854 0.3 1
664 62 62 GLY H H 7.882 0.020 1
665 62 62 GLY HA2 H 3.920 0.020 2
666 62 62 GLY HA3 H 3.994 0.020 2
667 62 62 GLY CA C 47.233 0.3 1
668 62 62 GLY N N 105.192 0.3 1
669 63 63 ILE H H 7.531 0.020 1
670 63 63 ILE HA H 3.746 0.020 1
671 63 63 ILE HB H 2.044 0.020 1
672 63 63 ILE HG12 H 0.740 0.020 2
673 63 63 ILE HG13 H 1.467 0.020 2
674 63 63 ILE HG2 H 0.851 0.020 1
675 63 63 ILE HD1 H 0.738 0.020 1
676 63 63 ILE C C 178.549 0.3 1
677 63 63 ILE CA C 62.724 0.3 1
678 63 63 ILE CB C 36.600 0.3 1
679 63 63 ILE CG1 C 28.637 0.3 1
680 63 63 ILE CG2 C 17.513 0.3 1
681 63 63 ILE CD1 C 11.251 0.3 1
682 63 63 ILE N N 124.898 0.3 1
683 64 64 TRP H H 8.719 0.020 1
684 64 64 TRP HA H 3.448 0.020 1
685 64 64 TRP HB2 H 2.207 0.020 2
686 64 64 TRP HB3 H 2.871 0.020 2
687 64 64 TRP HD1 H 6.651 0.020 1
688 64 64 TRP HE1 H 9.800 0.020 1
689 64 64 TRP HE3 H 7.119 0.020 1
690 64 64 TRP HZ2 H 7.243 0.020 1
691 64 64 TRP HZ3 H 6.752 0.020 1
692 64 64 TRP HH2 H 6.925 0.020 1
693 64 64 TRP C C 178.053 0.3 1
694 64 64 TRP CA C 60.765 0.3 1
695 64 64 TRP CB C 28.512 0.3 1
696 64 64 TRP CD1 C 127.357 0.3 1
697 64 64 TRP CE3 C 119.833 0.3 1
698 64 64 TRP CZ2 C 113.851 0.3 1
699 64 64 TRP CZ3 C 121.720 0.3 1
700 64 64 TRP CH2 C 123.721 0.3 1
701 64 64 TRP N N 122.035 0.3 1
702 64 64 TRP NE1 N 128.051 0.3 1
703 65 65 ALA H H 8.518 0.020 1
704 65 65 ALA HA H 3.586 0.020 1
705 65 65 ALA HB H 1.471 0.020 1
706 65 65 ALA C C 180.275 0.3 1
707 65 65 ALA CA C 54.704 0.3 1
708 65 65 ALA CB C 18.102 0.3 1
709 65 65 ALA N N 119.840 0.3 1
710 66 66 SER H H 7.435 0.020 1
711 66 66 SER HA H 4.156 0.020 1
712 66 66 SER HB2 H 3.851 0.020 2
713 66 66 SER HB3 H 3.889 0.020 2
714 66 66 SER C C 175.194 0.3 1
715 66 66 SER CA C 60.077 0.3 1
716 66 66 SER CB C 63.332 0.3 1
717 66 66 SER N N 111.793 0.3 1
718 67 67 ALA H H 7.367 0.020 1
719 67 67 ALA HA H 4.158 0.020 1
720 67 67 ALA HB H 1.194 0.020 1
721 67 67 ALA C C 177.940 0.3 1
722 67 67 ALA CA C 53.136 0.3 1
723 67 67 ALA CB C 19.077 0.3 1
724 67 67 ALA N N 123.331 0.3 1
725 68 68 ASN H H 7.561 0.020 1
726 68 68 ASN HA H 4.393 0.020 1
727 68 68 ASN HB2 H 1.929 0.020 2
728 68 68 ASN HB3 H 2.367 0.020 2
729 68 68 ASN HD21 H 5.854 0.020 1
730 68 68 ASN HD22 H 6.833 0.020 1
731 68 68 ASN C C 175.253 0.3 1
732 68 68 ASN CA C 53.533 0.3 1
733 68 68 ASN CB C 38.521 0.3 1
734 68 68 ASN N N 116.184 0.3 1
735 68 68 ASN ND2 N 112.132 0.3 1
736 69 69 ALA H H 7.717 0.020 1
737 69 69 ALA HA H 4.110 0.020 1
738 69 69 ALA HB H 1.217 0.020 1
739 69 69 ALA C C 177.945 0.3 1
740 69 69 ALA CA C 53.558 0.3 1
741 69 69 ALA CB C 18.899 0.3 1
742 69 69 ALA N N 123.512 0.3 1
743 70 70 ASP H H 8.083 0.020 1
744 70 70 ASP HA H 4.594 0.020 1
745 70 70 ASP HB2 H 2.577 0.020 2
746 70 70 ASP HB3 H 2.698 0.020 2
747 70 70 ASP C C 176.717 0.3 1
748 70 70 ASP CA C 54.541 0.3 1
749 70 70 ASP CB C 41.151 0.3 1
750 70 70 ASP N N 118.059 0.3 1
751 71 71 GLY H H 7.943 0.020 1
752 71 71 GLY HA2 H 3.879 0.020 2
753 71 71 GLY HA3 H 3.974 0.020 2
754 71 71 GLY C C 174.205 0.3 1
755 71 71 GLY CA C 45.419 0.3 1
756 71 71 GLY N N 108.461 0.3 1
757 72 72 GLU H H 8.131 0.020 1
758 72 72 GLU HA H 4.296 0.020 1
759 72 72 GLU HB2 H 2.046 0.020 2
760 72 72 GLU HB3 H 1.915 0.020 2
761 72 72 GLU HG2 H 2.211 0.020 2
762 72 72 GLU HG3 H 2.257 0.020 2
763 72 72 GLU C C 176.563 0.3 1
764 72 72 GLU CA C 56.432 0.3 1
765 72 72 GLU CB C 30.443 0.3 1
766 72 72 GLU CG C 36.259 0.3 1
767 72 72 GLU N N 120.519 0.3 1
768 73 73 ALA H H 8.251 0.020 1
769 73 73 ALA HA H 4.297 0.020 1
770 73 73 ALA HB H 1.336 0.020 1
771 73 73 ALA C C 177.768 0.3 1
772 73 73 ALA CA C 52.609 0.3 1
773 73 73 ALA CB C 19.015 0.3 1
774 73 73 ALA N N 125.291 0.3 1
775 74 74 GLN H H 8.353 0.020 1
776 74 74 GLN HA H 4.409 0.020 1
777 74 74 GLN HB2 H 2.135 0.020 2
778 74 74 GLN HB3 H 1.984 0.020 2
779 74 74 GLN HG2 H 2.370 0.020 1
780 74 74 GLN HG3 H 2.370 0.020 1
781 74 74 GLN HE21 H 6.825 0.020 1
782 74 74 GLN HE22 H 7.526 0.020 1
783 74 74 GLN C C 176.325 0.3 1
784 74 74 GLN CA C 55.800 0.3 1
785 74 74 GLN CB C 29.411 0.3 1
786 74 74 GLN CG C 33.809 0.3 1
787 74 74 GLN N N 119.622 0.3 1
788 74 74 GLN NE2 N 112.188 0.3 1
789 75 75 THR H H 8.203 0.020 1
790 75 75 THR HA H 4.411 0.020 1
791 75 75 THR HB H 4.243 0.020 1
792 75 75 THR HG2 H 1.199 0.020 1
793 75 75 THR C C 174.499 0.3 1
794 75 75 THR CA C 61.662 0.3 1
795 75 75 THR CB C 69.929 0.3 1
796 75 75 THR CG2 C 21.564 0.3 1
797 75 75 THR N N 115.042 0.3 1
798 76 76 SER H H 8.351 0.020 1
799 76 76 SER HA H 4.471 0.020 1
800 76 76 SER HB2 H 3.884 0.020 2
801 76 76 SER HB3 H 3.836 0.020 2
802 76 76 SER C C 174.494 0.3 1
803 76 76 SER CA C 58.361 0.3 1
804 76 76 SER CB C 63.915 0.3 1
805 76 76 SER N N 117.951 0.3 1
806 77 77 GLN H H 8.451 0.020 1
807 77 77 GLN HA H 4.405 0.020 1
808 77 77 GLN HB2 H 2.139 0.020 2
809 77 77 GLN HB3 H 1.978 0.020 2
810 77 77 GLN HG2 H 2.372 0.020 1
811 77 77 GLN HG3 H 2.372 0.020 1
812 77 77 GLN HE21 H 6.831 0.020 1
813 77 77 GLN HE22 H 7.475 0.020 1
814 77 77 GLN C C 175.964 0.3 1
815 77 77 GLN CA C 55.818 0.3 1
816 77 77 GLN CB C 29.414 0.3 1
817 77 77 GLN CG C 33.834 0.3 1
818 77 77 GLN N N 122.561 0.3 1
819 77 77 GLN NE2 N 112.414 0.3 1
820 78 78 SER H H 8.362 0.020 1
821 78 78 SER HA H 4.471 0.020 1
822 78 78 SER HB2 H 3.862 0.020 2
823 78 78 SER HB3 H 3.830 0.020 2
824 78 78 SER C C 174.388 0.3 1
825 78 78 SER CA C 58.309 0.3 1
826 78 78 SER CB C 64.014 0.3 1
827 78 78 SER N N 116.941 0.3 1
828 79 79 ASP H H 8.372 0.020 1
829 79 79 ASP HA H 4.632 0.020 1
830 79 79 ASP HB2 H 2.688 0.020 1
831 79 79 ASP HB3 H 2.688 0.020 1
832 79 79 ASP C C 176.035 0.3 1
833 79 79 ASP CA C 54.279 0.3 1
834 79 79 ASP CB C 41.061 0.3 1
835 79 79 ASP N N 122.491 0.3 1
836 80 80 ALA H H 8.141 0.020 1
837 80 80 ALA HA H 4.299 0.020 1
838 80 80 ALA HB H 1.319 0.020 1
839 80 80 ALA C C 177.238 0.3 1
840 80 80 ALA CA C 52.541 0.3 1
841 80 80 ALA CB C 19.484 0.3 1
842 80 80 ALA N N 123.649 0.3 1
843 81 81 GLU H H 8.313 0.020 1
844 81 81 GLU HA H 4.383 0.020 1
845 81 81 GLU HB2 H 1.944 0.020 2
846 81 81 GLU HB3 H 2.069 0.020 2
847 81 81 GLU HG2 H 2.248 0.020 1
848 81 81 GLU HG3 H 2.248 0.020 1
849 81 81 GLU C C 176.912 0.3 1
850 81 81 GLU CA C 56.000 0.3 1
851 81 81 GLU CB C 31.218 0.3 1
852 81 81 GLU CG C 36.348 0.3 1
853 81 81 GLU N N 119.246 0.3 1
854 82 82 GLY H H 8.424 0.020 1
855 82 82 GLY HA2 H 3.933 0.020 2
856 82 82 GLY HA3 H 4.124 0.020 2
857 82 82 GLY C C 175.179 0.3 1
858 82 82 GLY CA C 45.641 0.3 1
859 82 82 GLY N N 109.355 0.3 1
860 83 83 THR H H 8.272 0.020 1
861 83 83 THR HA H 4.066 0.020 1
862 83 83 THR HB H 4.205 0.020 1
863 83 83 THR HG2 H 1.215 0.020 1
864 83 83 THR C C 176.124 0.3 1
865 83 83 THR CA C 63.998 0.3 1
866 83 83 THR CB C 69.002 0.3 1
867 83 83 THR CG2 C 22.130 0.3 1
868 83 83 THR N N 114.452 0.3 1
869 84 84 GLU H H 8.680 0.020 1
870 84 84 GLU HA H 3.920 0.020 1
871 84 84 GLU HB2 H 1.962 0.020 2
872 84 84 GLU HB3 H 1.984 0.020 2
873 84 84 GLU HG2 H 2.199 0.020 1
874 84 84 GLU HG3 H 2.199 0.020 1
875 84 84 GLU C C 177.003 0.3 1
876 84 84 GLU CA C 58.507 0.3 1
877 84 84 GLU CB C 28.843 0.3 1
878 84 84 GLU CG C 36.110 0.3 1
879 84 84 GLU N N 122.854 0.3 1
880 85 85 ALA H H 7.790 0.020 1
881 85 85 ALA HA H 3.972 0.020 1
882 85 85 ALA HB H 1.351 0.020 1
883 85 85 ALA C C 179.960 0.3 1
884 85 85 ALA CA C 54.795 0.3 1
885 85 85 ALA CB C 18.426 0.3 1
886 85 85 ALA N N 121.628 0.3 1
887 86 86 VAL H H 7.721 0.020 1
888 86 86 VAL HA H 3.707 0.020 1
889 86 86 VAL HB H 2.035 0.020 1
890 86 86 VAL HG1 H 0.957 0.020 1
891 86 86 VAL HG2 H 0.875 0.020 1
892 86 86 VAL C C 177.659 0.3 1
893 86 86 VAL CA C 65.410 0.3 1
894 86 86 VAL CB C 31.753 0.3 1
895 86 86 VAL CG1 C 22.144 0.3 1
896 86 86 VAL CG2 C 20.971 0.3 1
897 86 86 VAL N N 118.470 0.3 1
898 87 87 ALA H H 7.864 0.020 1
899 87 87 ALA HA H 3.999 0.020 1
900 87 87 ALA HB H 1.374 0.020 1
901 87 87 ALA C C 179.414 0.3 1
902 87 87 ALA CA C 55.075 0.3 1
903 87 87 ALA CB C 18.109 0.3 1
904 87 87 ALA N N 122.747 0.3 1
905 88 88 ARG H H 8.294 0.020 1
906 88 88 ARG HA H 4.022 0.020 1
907 88 88 ARG HB2 H 1.867 0.020 2
908 88 88 ARG HB3 H 1.954 0.020 2
909 88 88 ARG HG2 H 1.636 0.020 2
910 88 88 ARG HG3 H 1.780 0.020 2
911 88 88 ARG HD2 H 3.120 0.020 2
912 88 88 ARG HD3 H 3.173 0.020 2
913 88 88 ARG C C 178.564 0.3 1
914 88 88 ARG CA C 58.902 0.3 1
915 88 88 ARG CB C 30.143 0.3 1
916 88 88 ARG CG C 27.332 0.3 1
917 88 88 ARG CD C 43.356 0.3 1
918 88 88 ARG N N 116.481 0.3 1
919 89 89 ALA H H 7.863 0.020 1
920 89 89 ALA HA H 4.159 0.020 1
921 89 89 ALA HB H 1.484 0.020 1
922 89 89 ALA C C 179.693 0.3 1
923 89 89 ALA CA C 54.490 0.3 1
924 89 89 ALA CB C 18.279 0.3 1
925 89 89 ALA N N 121.255 0.3 1
926 90 90 ARG H H 7.869 0.020 1
927 90 90 ARG HA H 4.152 0.020 1
928 90 90 ARG HB2 H 1.694 0.020 2
929 90 90 ARG HB3 H 1.948 0.020 2
930 90 90 ARG HG2 H 1.838 0.020 1
931 90 90 ARG HG3 H 1.838 0.020 1
932 90 90 ARG HD2 H 3.099 0.020 1
933 90 90 ARG HD3 H 3.099 0.020 1
934 90 90 ARG C C 178.476 0.3 1
935 90 90 ARG CA C 58.249 0.3 1
936 90 90 ARG CB C 29.557 0.3 1
937 90 90 ARG CG C 27.545 0.3 1
938 90 90 ARG CD C 43.508 0.3 1
939 90 90 ARG N N 116.570 0.3 1
940 91 91 LEU H H 8.051 0.020 1
941 91 91 LEU HA H 4.213 0.020 1
942 91 91 LEU HB2 H 1.448 0.020 2
943 91 91 LEU HB3 H 1.932 0.020 2
944 91 91 LEU HG H 1.590 0.020 1
945 91 91 LEU HD1 H 0.884 0.020 1
946 91 91 LEU HD2 H 0.978 0.020 1
947 91 91 LEU C C 179.399 0.3 1
948 91 91 LEU CA C 57.384 0.3 1
949 91 91 LEU CB C 42.139 0.3 1
950 91 91 LEU CG C 25.102 0.3 1
951 91 91 LEU CD1 C 23.478 0.3 1
952 91 91 LEU CD2 C 24.523 0.3 1
953 91 91 LEU N N 118.295 0.3 1
954 92 92 ALA H H 7.931 0.020 1
955 92 92 ALA HA H 4.088 0.020 1
956 92 92 ALA HB H 1.468 0.020 1
957 92 92 ALA C C 178.190 0.3 1
958 92 92 ALA CA C 54.269 0.3 1
959 92 92 ALA CB C 18.855 0.3 1
960 92 92 ALA N N 120.491 0.3 1
961 93 93 ARG H H 7.448 0.020 1
962 93 93 ARG HA H 4.304 0.020 1
963 93 93 ARG HB2 H 2.026 0.020 2
964 93 93 ARG HB3 H 1.772 0.020 2
965 93 93 ARG HG2 H 1.679 0.020 2
966 93 93 ARG HG3 H 1.762 0.020 2
967 93 93 ARG HD2 H 3.205 0.020 1
968 93 93 ARG HD3 H 3.205 0.020 1
969 93 93 ARG CA C 56.024 0.3 1
970 93 93 ARG CB C 30.506 0.3 1
971 93 93 ARG CG C 27.186 0.3 1
972 93 93 ARG CD C 43.297 0.3 1
973 93 93 ARG N N 114.593 0.3 1
974 94 94 MET H H 7.392 0.020 1
975 94 94 MET HA H 4.553 0.020 1
976 94 94 MET HB2 H 2.198 0.020 2
977 94 94 MET HB3 H 2.032 0.020 2
978 94 94 MET HG2 H 2.642 0.020 2
979 94 94 MET HG3 H 2.732 0.020 2
980 94 94 MET HE H 2.015 0.020 1
981 94 94 MET C C 176.559 0.3 1
982 94 94 MET CA C 55.393 0.3 1
983 94 94 MET CB C 34.235 0.3 1
984 94 94 MET CG C 32.535 0.3 1
985 94 94 MET CE C 17.916 0.3 1
986 94 94 MET N N 118.509 0.3 1
987 95 95 THR H H 8.707 0.020 1
988 95 95 THR HA H 4.539 0.020 1
989 95 95 THR HB H 4.647 0.020 1
990 95 95 THR HG2 H 1.446 0.020 1
991 95 95 THR C C 173.772 0.3 1
992 95 95 THR CA C 60.392 0.3 1
993 95 95 THR CB C 68.067 0.3 1
994 95 95 THR CG2 C 22.191 0.3 1
995 95 95 THR N N 114.581 0.3 1
996 96 96 PRO HA H 4.588 0.020 1
997 96 96 PRO HB2 H 1.954 0.020 2
998 96 96 PRO HB3 H 2.291 0.020 2
999 96 96 PRO HG2 H 2.242 0.020 2
1000 96 96 PRO HG3 H 2.150 0.020 2
1001 96 96 PRO HD2 H 3.926 0.020 1
1002 96 96 PRO HD3 H 3.926 0.020 1
1003 96 96 PRO CA C 66.116 0.3 1
1004 96 96 PRO CB C 32.251 0.3 1
1005 96 96 PRO CG C 27.845 0.3 1
1006 96 96 PRO CD C 50.174 0.3 1
1007 97 97 LEU H H 8.446 0.020 1
1008 97 97 LEU HA H 4.179 0.020 1
1009 97 97 LEU HB2 H 1.568 0.020 2
1010 97 97 LEU HB3 H 1.686 0.020 2
1011 97 97 LEU HG H 0.974 0.020 1
1012 97 97 LEU HD1 H 0.900 0.020 1
1013 97 97 LEU HD2 H 0.851 0.020 1
1014 97 97 LEU C C 178.696 0.3 1
1015 97 97 LEU CA C 58.228 0.3 1
1016 97 97 LEU CB C 42.118 0.3 1
1017 97 97 LEU CG C 26.897 0.3 1
1018 97 97 LEU CD1 C 24.393 0.3 1
1019 97 97 LEU CD2 C 24.647 0.3 1
1020 97 97 LEU N N 117.653 0.3 1
1021 98 98 SER H H 7.606 0.020 1
1022 98 98 SER HA H 4.063 0.020 1
1023 98 98 SER HB2 H 3.863 0.020 1
1024 98 98 SER HB3 H 3.863 0.020 1
1025 98 98 SER C C 177.476 0.3 1
1026 98 98 SER CA C 62.594 0.3 1
1027 98 98 SER CB C 62.761 0.3 1
1028 98 98 SER N N 115.237 0.3 1
1029 100 100 GLN H H 8.114 0.020 1
1030 100 100 GLN HA H 3.894 0.020 1
1031 100 100 GLN HB2 H 2.027 0.020 2
1032 100 100 GLN HB3 H 1.920 0.020 2
1033 100 100 GLN HG2 H 2.319 0.020 2
1034 100 100 GLN HG3 H 2.393 0.020 2
1035 100 100 GLN HE21 H 6.288 0.020 1
1036 100 100 GLN HE22 H 6.987 0.020 1
1037 100 100 GLN C C 177.312 0.3 1
1038 100 100 GLN CA C 59.961 0.3 1
1039 100 100 GLN CB C 30.287 0.3 1
1040 100 100 GLN CG C 35.784 0.3 1
1041 100 100 GLN N N 116.092 0.3 1
1042 100 100 GLN NE2 N 108.170 0.3 1
1043 101 101 ALA H H 8.219 0.020 1
1044 101 101 ALA HA H 3.717 0.020 1
1045 101 101 ALA HB H 1.394 0.020 1
1046 101 101 ALA C C 179.839 0.3 1
1047 101 101 ALA CA C 56.245 0.3 1
1048 101 101 ALA CB C 19.015 0.3 1
1049 101 101 ALA N N 119.600 0.3 1
1050 102 102 LEU H H 8.467 0.020 1
1051 102 102 LEU HA H 3.992 0.020 1
1052 102 102 LEU HB2 H 1.494 0.020 1
1053 102 102 LEU HB3 H 1.494 0.020 1
1054 102 102 LEU HG H 1.420 0.020 1
1055 102 102 LEU HD1 H 0.834 0.020 1
1056 102 102 LEU HD2 H 0.884 0.020 1
1057 102 102 LEU C C 177.775 0.3 1
1058 102 102 LEU CA C 58.090 0.3 1
1059 102 102 LEU CB C 41.880 0.3 1
1060 102 102 LEU CG C 27.179 0.3 1
1061 102 102 LEU CD1 C 26.304 0.3 1
1062 102 102 LEU CD2 C 23.833 0.3 1
1063 102 102 LEU N N 118.335 0.3 1
1064 103 103 LEU H H 8.661 0.020 1
1065 103 103 LEU HA H 4.022 0.020 1
1066 103 103 LEU HB2 H 1.902 0.020 2
1067 103 103 LEU HB3 H 1.926 0.020 2
1068 103 103 LEU HG H 1.412 0.020 1
1069 103 103 LEU HD1 H 0.835 0.020 1
1070 103 103 LEU HD2 H 0.674 0.020 1
1071 103 103 LEU C C 180.134 0.3 1
1072 103 103 LEU CA C 58.211 0.3 1
1073 103 103 LEU CB C 42.174 0.3 1
1074 103 103 LEU CG C 27.326 0.3 1
1075 103 103 LEU CD1 C 26.338 0.3 1
1076 103 103 LEU CD2 C 25.534 0.3 1
1077 103 103 LEU N N 116.545 0.3 1
1078 104 104 LEU H H 9.043 0.020 1
1079 104 104 LEU HA H 3.895 0.020 1
1080 104 104 LEU HB2 H 1.903 0.020 2
1081 104 104 LEU HB3 H 1.866 0.020 2
1082 104 104 LEU HD1 H 0.604 0.020 1
1083 104 104 LEU HD2 H 0.168 0.020 1
1084 104 104 LEU C C 177.169 0.3 1
1085 104 104 LEU CA C 57.934 0.3 1
1086 104 104 LEU CB C 42.610 0.3 1
1087 104 104 LEU CD1 C 26.432 0.3 1
1088 104 104 LEU CD2 C 21.959 0.3 1
1089 104 104 LEU N N 117.610 0.3 1
1090 105 105 THR H H 7.253 0.020 1
1091 105 105 THR HA H 4.932 0.020 1
1092 105 105 THR HB H 4.027 0.020 1
1093 105 105 THR HG2 H 1.021 0.020 1
1094 105 105 THR C C 176.239 0.3 1
1095 105 105 THR CA C 61.398 0.3 1
1096 105 105 THR CB C 69.252 0.3 1
1097 105 105 THR CG2 C 20.835 0.3 1
1098 105 105 THR N N 105.604 0.3 1
1099 106 106 ALA H H 8.555 0.020 1
1100 106 106 ALA HA H 4.268 0.020 1
1101 106 106 ALA HB H 1.344 0.020 1
1102 106 106 ALA C C 177.922 0.3 1
1103 106 106 ALA CA C 54.531 0.3 1
1104 106 106 ALA CB C 18.565 0.3 1
1105 106 106 ALA N N 124.411 0.3 1
1106 107 107 MET H H 7.167 0.020 1
1107 107 107 MET HA H 4.277 0.020 1
1108 107 107 MET HB2 H 2.136 0.020 2
1109 107 107 MET HB3 H 2.213 0.020 2
1110 107 107 MET HG2 H 2.416 0.020 1
1111 107 107 MET HG3 H 2.416 0.020 1
1112 107 107 MET HE H 2.319 0.020 1
1113 107 107 MET C C 177.201 0.3 1
1114 107 107 MET CA C 58.804 0.3 1
1115 107 107 MET CB C 34.074 0.3 1
1116 107 107 MET CG C 33.783 0.3 1
1117 107 107 MET CE C 17.270 0.3 1
1118 107 107 MET N N 114.098 0.3 1
1119 108 108 GLU H H 8.292 0.020 1
1120 108 108 GLU HA H 3.882 0.020 1
1121 108 108 GLU HB2 H 1.964 0.020 1
1122 108 108 GLU HB3 H 1.964 0.020 1
1123 108 108 GLU HG2 H 2.363 0.020 1
1124 108 108 GLU HG3 H 2.363 0.020 1
1125 108 108 GLU C C 177.508 0.3 1
1126 108 108 GLU CA C 56.268 0.3 1
1127 108 108 GLU CB C 30.219 0.3 1
1128 108 108 GLU CG C 33.904 0.3 1
1129 108 108 GLU N N 112.646 0.3 1
1130 109 109 GLY H H 6.709 0.020 1
1131 109 109 GLY HA2 H 3.643 0.020 2
1132 109 109 GLY HA3 H 3.695 0.020 2
1133 109 109 GLY CA C 46.196 0.3 1
1134 109 109 GLY N N 104.766 0.3 1
1135 110 110 PHE H H 8.304 0.020 1
1136 110 110 PHE HA H 4.531 0.020 1
1137 110 110 PHE HB2 H 2.966 0.020 1
1138 110 110 PHE HB3 H 2.966 0.020 1
1139 110 110 PHE HD1 H 7.151 0.020 1
1140 110 110 PHE HD2 H 7.151 0.020 1
1141 110 110 PHE HE1 H 6.335 0.020 1
1142 110 110 PHE HE2 H 6.335 0.020 1
1143 110 110 PHE HZ H 5.698 0.020 1
1144 110 110 PHE C C 176.324 0.3 1
1145 110 110 PHE CA C 59.275 0.3 1
1146 110 110 PHE CB C 38.296 0.3 1
1147 110 110 PHE CD1 C 131.330 0.3 1
1148 110 110 PHE CE1 C 131.031 0.3 1
1149 110 110 PHE CZ C 128.060 0.3 1
1150 110 110 PHE N N 119.474 0.3 1
1151 111 111 SER H H 9.382 0.020 1
1152 111 111 SER HA H 4.524 0.020 1
1153 111 111 SER HB2 H 4.067 0.020 1
1154 111 111 SER HB3 H 4.067 0.020 1
1155 111 111 SER CA C 55.986 0.3 1
1156 111 111 SER CB C 62.544 0.3 1
1157 111 111 SER N N 118.645 0.3 1
1158 112 112 PRO HA H 3.998 0.020 1
1159 112 112 PRO HB2 H 1.889 0.020 2
1160 112 112 PRO HB3 H 2.169 0.020 2
1161 112 112 PRO HD2 H 3.611 0.020 1
1162 112 112 PRO HD3 H 3.611 0.020 1
1163 112 112 PRO CA C 66.492 0.3 1
1164 112 112 PRO CB C 31.558 0.3 1
1165 112 112 PRO CD C 50.843 0.3 1
1166 113 113 GLU H H 8.779 0.020 1
1167 113 113 GLU HA H 4.083 0.020 1
1168 113 113 GLU HB2 H 1.967 0.020 2
1169 113 113 GLU HB3 H 1.860 0.020 2
1170 113 113 GLU HG2 H 2.401 0.020 2
1171 113 113 GLU HG3 H 2.259 0.020 2
1172 113 113 GLU C C 179.203 0.3 1
1173 113 113 GLU CA C 59.923 0.3 1
1174 113 113 GLU CB C 28.823 0.3 1
1175 113 113 GLU CG C 36.862 0.3 1
1176 113 113 GLU N N 115.662 0.3 1
1177 114 114 ASP H H 7.846 0.020 1
1178 114 114 ASP HA H 4.423 0.020 1
1179 114 114 ASP HB2 H 2.402 0.020 2
1180 114 114 ASP HB3 H 2.985 0.020 2
1181 114 114 ASP CA C 56.877 0.3 1
1182 114 114 ASP CB C 40.109 0.3 1
1183 114 114 ASP N N 123.512 0.3 1
1184 115 115 ALA H H 8.922 0.020 1
1185 115 115 ALA HA H 3.646 0.020 1
1186 115 115 ALA HB H 1.179 0.020 1
1187 115 115 ALA C C 178.162 0.3 1
1188 115 115 ALA CA C 55.078 0.3 1
1189 115 115 ALA CB C 17.851 0.3 1
1190 115 115 ALA N N 121.791 0.3 1
1191 116 116 ALA H H 8.399 0.020 1
1192 116 116 ALA HA H 3.610 0.020 1
1193 116 116 ALA HB H 1.504 0.020 1
1194 116 116 ALA C C 179.685 0.3 1
1195 116 116 ALA CA C 55.636 0.3 1
1196 116 116 ALA CB C 18.007 0.3 1
1197 116 116 ALA N N 120.275 0.3 1
1198 117 117 TYR H H 7.168 0.020 1
1199 117 117 TYR HA H 4.186 0.020 1
1200 117 117 TYR HB2 H 3.174 0.020 2
1201 117 117 TYR HB3 H 3.272 0.020 2
1202 117 117 TYR HD1 H 6.894 0.020 1
1203 117 117 TYR HD2 H 6.894 0.020 1
1204 117 117 TYR HE1 H 6.491 0.020 1
1205 117 117 TYR HE2 H 6.491 0.020 1
1206 117 117 TYR C C 177.179 0.3 1
1207 117 117 TYR CA C 59.929 0.3 1
1208 117 117 TYR CB C 37.733 0.3 1
1209 117 117 TYR CD2 C 133.184 0.3 1
1210 117 117 TYR CE2 C 118.034 0.3 1
1211 117 117 TYR N N 118.295 0.3 1
1212 118 118 LEU H H 7.595 0.020 1
1213 118 118 LEU HA H 3.589 0.020 1
1214 118 118 LEU HB2 H 1.701 0.020 2
1215 118 118 LEU HB3 H 1.487 0.020 2
1216 118 118 LEU HG H 1.736 0.020 1
1217 118 118 LEU HD1 H -0.222 0.020 1
1218 118 118 LEU HD2 H 0.650 0.020 1
1219 118 118 LEU C C 178.388 0.3 1
1220 118 118 LEU CA C 57.680 0.3 1
1221 118 118 LEU CB C 42.281 0.3 1
1222 118 118 LEU CG C 26.121 0.3 1
1223 118 118 LEU CD1 C 25.965 0.3 1
1224 118 118 LEU CD2 C 24.039 0.3 1
1225 118 118 LEU N N 117.458 0.3 1
1226 119 119 ILE H H 7.964 0.020 1
1227 119 119 ILE HA H 4.159 0.020 1
1228 119 119 ILE HB H 1.848 0.020 1
1229 119 119 ILE HG12 H 1.368 0.020 2
1230 119 119 ILE HG13 H 1.048 0.020 2
1231 119 119 ILE HG2 H 0.719 0.020 1
1232 119 119 ILE HD1 H 0.574 0.020 1
1233 119 119 ILE C C 174.157 0.3 1
1234 119 119 ILE CA C 61.204 0.3 1
1235 119 119 ILE CB C 38.122 0.3 1
1236 119 119 ILE CG1 C 26.614 0.3 1
1237 119 119 ILE CG2 C 18.345 0.3 1
1238 119 119 ILE CD1 C 13.576 0.3 1
1239 119 119 ILE N N 111.908 0.3 1
1240 120 120 GLU H H 7.710 0.020 1
1241 120 120 GLU HA H 3.791 0.020 1
1242 120 120 GLU HB2 H 2.051 0.020 2
1243 120 120 GLU HB3 H 2.141 0.020 2
1244 120 120 GLU HG2 H 1.892 0.020 2
1245 120 120 GLU HG3 H 1.990 0.020 2
1246 120 120 GLU C C 175.575 0.3 1
1247 120 120 GLU CA C 57.315 0.3 1
1248 120 120 GLU CB C 26.716 0.3 1
1249 120 120 GLU CG C 36.881 0.3 1
1250 120 120 GLU N N 118.108 0.3 1
1251 121 121 VAL H H 7.638 0.020 1
1252 121 121 VAL HA H 4.674 0.020 1
1253 121 121 VAL HB H 2.285 0.020 1
1254 121 121 VAL HG1 H 0.797 0.020 1
1255 121 121 VAL HG2 H 0.604 0.020 1
1256 121 121 VAL C C 174.543 0.3 1
1257 121 121 VAL CA C 58.523 0.3 1
1258 121 121 VAL CB C 34.907 0.3 1
1259 121 121 VAL CG1 C 21.656 0.3 1
1260 121 121 VAL CG2 C 18.320 0.3 1
1261 121 121 VAL N N 110.769 0.3 1
1262 122 122 ASP H H 8.439 0.020 1
1263 122 122 ASP HA H 4.715 0.020 1
1264 122 122 ASP HB2 H 2.739 0.020 2
1265 122 122 ASP HB3 H 2.651 0.020 2
1266 122 122 ASP C C 178.242 0.3 1
1267 122 122 ASP CA C 54.115 0.3 1
1268 122 122 ASP CB C 42.831 0.3 1
1269 122 122 ASP N N 118.514 0.3 1
1270 123 123 THR H H 8.475 0.020 1
1271 123 123 THR HA H 3.587 0.020 1
1272 123 123 THR HB H 4.043 0.020 1
1273 123 123 THR HG2 H 1.103 0.020 1
1274 123 123 THR C C 176.517 0.3 1
1275 123 123 THR CA C 67.116 0.3 1
1276 123 123 THR CB C 68.163 0.3 1
1277 123 123 THR CG2 C 22.994 0.3 1
1278 123 123 THR N N 118.509 0.3 1
1279 124 124 SER H H 8.469 0.020 1
1280 124 124 SER HA H 4.191 0.020 1
1281 124 124 SER HB2 H 3.906 0.020 1
1282 124 124 SER HB3 H 3.906 0.020 1
1283 124 124 SER C C 176.250 0.3 1
1284 124 124 SER CA C 61.223 0.3 1
1285 124 124 SER CB C 62.415 0.3 1
1286 124 124 SER N N 115.600 0.3 1
1287 125 125 GLU H H 7.658 0.020 1
1288 125 125 GLU HA H 4.258 0.020 1
1289 125 125 GLU HB2 H 2.190 0.020 2
1290 125 125 GLU HB3 H 2.043 0.020 2
1291 125 125 GLU HG2 H 2.295 0.020 2
1292 125 125 GLU HG3 H 2.217 0.020 2
1293 125 125 GLU C C 178.344 0.3 1
1294 125 125 GLU CA C 58.119 0.3 1
1295 125 125 GLU CB C 29.569 0.3 1
1296 125 125 GLU CG C 36.587 0.3 1
1297 125 125 GLU N N 122.460 0.3 1
1298 126 126 VAL H H 7.615 0.020 1
1299 126 126 VAL HA H 3.328 0.020 1
1300 126 126 VAL HB H 2.253 0.020 1
1301 126 126 VAL HG1 H 0.890 0.020 1
1302 126 126 VAL HG2 H 0.858 0.020 1
1303 126 126 VAL C C 177.025 0.3 1
1304 126 126 VAL CA C 67.909 0.3 1
1305 126 126 VAL CB C 31.310 0.3 1
1306 126 126 VAL CG1 C 23.358 0.3 1
1307 126 126 VAL CG2 C 21.371 0.3 1
1308 126 126 VAL N N 119.223 0.3 1
1309 127 127 GLU H H 7.890 0.020 1
1310 127 127 GLU HA H 4.002 0.020 1
1311 127 127 GLU HB2 H 2.028 0.020 2
1312 127 127 GLU HB3 H 2.148 0.020 2
1313 127 127 GLU HG2 H 2.149 0.020 2
1314 127 127 GLU HG3 H 2.342 0.020 2
1315 127 127 GLU C C 179.487 0.3 1
1316 127 127 GLU CA C 59.853 0.3 1
1317 127 127 GLU CB C 29.248 0.3 1
1318 127 127 GLU CG C 36.262 0.3 1
1319 127 127 GLU N N 116.926 0.3 1
1320 128 128 THR H H 7.698 0.020 1
1321 128 128 THR HA H 3.939 0.020 1
1322 128 128 THR HB H 4.256 0.020 1
1323 128 128 THR HG2 H 1.231 0.020 1
1324 128 128 THR C C 176.124 0.3 1
1325 128 128 THR CA C 66.483 0.3 1
1326 128 128 THR CB C 68.625 0.3 1
1327 128 128 THR CG2 C 22.143 0.3 1
1328 128 128 THR N N 116.864 0.3 1
1329 129 129 LEU H H 8.439 0.020 1
1330 129 129 LEU HA H 4.022 0.020 1
1331 129 129 LEU HB2 H 1.691 0.020 2
1332 129 129 LEU HB3 H 1.555 0.020 2
1333 129 129 LEU HG H 1.639 0.020 1
1334 129 129 LEU HD1 H 0.708 0.020 1
1335 129 129 LEU HD2 H 0.789 0.020 1
1336 129 129 LEU CA C 57.996 0.3 1
1337 129 129 LEU CB C 42.173 0.3 1
1338 129 129 LEU CG C 26.827 0.3 1
1339 129 129 LEU CD1 C 26.008 0.3 1
1340 129 129 LEU CD2 C 22.761 0.3 1
1341 129 129 LEU N N 122.842 0.3 1
1342 130 130 VAL H H 8.448 0.020 1
1343 130 130 VAL HA H 3.473 0.020 1
1344 130 130 VAL HB H 2.163 0.020 1
1345 130 130 VAL HG1 H 0.915 0.020 1
1346 130 130 VAL HG2 H 0.923 0.020 1
1347 130 130 VAL C C 177.491 0.3 1
1348 130 130 VAL CA C 67.591 0.3 1
1349 130 130 VAL CB C 31.490 0.3 1
1350 130 130 VAL CG1 C 23.930 0.3 1
1351 130 130 VAL CG2 C 21.532 0.3 1
1352 130 130 VAL N N 119.665 0.3 1
1353 131 131 THR H H 8.180 0.020 1
1354 131 131 THR HA H 3.839 0.020 1
1355 131 131 THR HB H 4.369 0.020 1
1356 131 131 THR HG2 H 1.269 0.020 1
1357 131 131 THR CA C 67.282 0.3 1
1358 131 131 THR CB C 68.490 0.3 1
1359 131 131 THR CG2 C 21.831 0.3 1
1360 131 131 THR N N 116.355 0.3 1
1361 132 132 GLU H H 8.317 0.020 1
1362 132 132 GLU HA H 4.086 0.020 1
1363 132 132 GLU HB2 H 2.200 0.020 2
1364 132 132 GLU HB3 H 2.148 0.020 2
1365 132 132 GLU HG2 H 2.247 0.020 2
1366 132 132 GLU HG3 H 2.478 0.020 2
1367 132 132 GLU C C 177.003 0.3 1
1368 132 132 GLU CA C 59.452 0.3 1
1369 132 132 GLU CB C 29.247 0.3 1
1370 132 132 GLU CG C 36.414 0.3 1
1371 132 132 GLU N N 121.882 0.3 1
1372 133 133 ALA H H 8.125 0.020 1
1373 133 133 ALA HA H 4.179 0.020 1
1374 133 133 ALA HB H 1.632 0.020 1
1375 133 133 ALA C C 180.131 0.3 1
1376 133 133 ALA CA C 55.354 0.3 1
1377 133 133 ALA CB C 19.886 0.3 1
1378 133 133 ALA N N 123.361 0.3 1
1379 134 134 LEU H H 8.497 0.020 1
1380 134 134 LEU HA H 3.998 0.020 1
1381 134 134 LEU HB2 H 1.494 0.020 2
1382 134 134 LEU HB3 H 1.925 0.020 2
1383 134 134 LEU HG H 1.887 0.020 1
1384 134 134 LEU HD1 H 0.806 0.020 1
1385 134 134 LEU HD2 H 0.851 0.020 1
1386 134 134 LEU C C 179.663 0.3 1
1387 134 134 LEU CA C 57.583 0.3 1
1388 134 134 LEU CB C 41.334 0.3 1
1389 134 134 LEU CG C 26.774 0.3 1
1390 134 134 LEU CD1 C 22.946 0.3 1
1391 134 134 LEU CD2 C 25.898 0.3 1
1392 134 134 LEU N N 116.750 0.3 1
1393 135 135 ALA H H 8.027 0.020 1
1394 135 135 ALA HA H 4.207 0.020 1
1395 135 135 ALA HB H 1.539 0.020 1
1396 135 135 ALA C C 180.454 0.3 1
1397 135 135 ALA CA C 54.831 0.3 1
1398 135 135 ALA CB C 17.922 0.3 1
1399 135 135 ALA N N 122.299 0.3 1
1400 136 136 GLU H H 7.943 0.020 1
1401 136 136 GLU HA H 4.184 0.020 1
1402 136 136 GLU HB2 H 2.229 0.020 2
1403 136 136 GLU HB3 H 2.172 0.020 2
1404 136 136 GLU HG2 H 2.304 0.020 2
1405 136 136 GLU HG3 H 2.389 0.020 2
1406 136 136 GLU C C 179.003 0.3 1
1407 136 136 GLU CA C 58.546 0.3 1
1408 136 136 GLU CB C 29.330 0.3 1
1409 136 136 GLU CG C 35.766 0.3 1
1410 136 136 GLU N N 119.193 0.3 1
1411 137 137 ILE H H 7.908 0.020 1
1412 137 137 ILE HA H 3.712 0.020 1
1413 137 137 ILE HB H 1.968 0.020 1
1414 137 137 ILE HG12 H 1.733 0.020 2
1415 137 137 ILE HG13 H 1.052 0.020 2
1416 137 137 ILE HG2 H 0.901 0.020 1
1417 137 137 ILE HD1 H 0.808 0.020 1
1418 137 137 ILE C C 177.681 0.3 1
1419 137 137 ILE CA C 64.879 0.3 1
1420 137 137 ILE CB C 37.929 0.3 1
1421 137 137 ILE CG1 C 29.274 0.3 1
1422 137 137 ILE CG2 C 17.424 0.3 1
1423 137 137 ILE CD1 C 13.505 0.3 1
1424 137 137 ILE N N 119.392 0.3 1
1425 139 139 LYS H H 7.849 0.020 1
1426 139 139 LYS HA H 4.028 0.020 1
1427 139 139 LYS HB2 H 1.922 0.020 1
1428 139 139 LYS HB3 H 1.922 0.020 1
1429 139 139 LYS HG2 H 1.411 0.020 2
1430 139 139 LYS HG3 H 1.585 0.020 2
1431 139 139 LYS HD2 H 1.700 0.020 1
1432 139 139 LYS HD3 H 1.700 0.020 1
1433 139 139 LYS HE2 H 2.933 0.020 1
1434 139 139 LYS HE3 H 2.933 0.020 1
1435 139 139 LYS C C 178.523 0.3 1
1436 139 139 LYS CA C 58.839 0.3 1
1437 139 139 LYS CB C 32.704 0.3 1
1438 139 139 LYS CG C 25.131 0.3 1
1439 139 139 LYS CD C 29.539 0.3 1
1440 139 139 LYS CE C 42.097 0.3 1
1441 139 139 LYS N N 119.181 0.3 1
1442 140 140 GLN H H 8.051 0.020 1
1443 140 140 GLN HA H 4.223 0.020 1
1444 140 140 GLN HB2 H 2.097 0.020 2
1445 140 140 GLN HB3 H 2.194 0.020 2
1446 140 140 GLN HG2 H 2.439 0.020 2
1447 140 140 GLN HG3 H 2.528 0.020 2
1448 140 140 GLN HE21 H 6.832 0.020 1
1449 140 140 GLN HE22 H 7.705 0.020 1
1450 140 140 GLN C C 176.396 0.3 1
1451 140 140 GLN CA C 57.173 0.3 1
1452 140 140 GLN CB C 29.214 0.3 1
1453 140 140 GLN CG C 33.765 0.3 1
1454 140 140 GLN N N 118.425 0.3 1
1455 140 140 GLN NE2 N 111.445 0.3 1
1456 141 141 THR H H 8.129 0.020 1
1457 141 141 THR HA H 4.102 0.020 1
1458 141 141 THR HB H 4.272 0.020 1
1459 141 141 THR HG2 H 1.195 0.020 1
1460 141 141 THR C C 175.531 0.3 1
1461 141 141 THR CA C 64.179 0.3 1
1462 141 141 THR CB C 69.315 0.3 1
1463 141 141 THR CG2 C 21.547 0.3 1
1464 141 141 THR N N 114.618 0.3 1
1465 142 142 ARG H H 8.087 0.020 1
1466 142 142 ARG HA H 4.210 0.020 1
1467 142 142 ARG HB2 H 1.825 0.020 1
1468 142 142 ARG HB3 H 1.825 0.020 1
1469 142 142 ARG HG2 H 1.644 0.020 2
1470 142 142 ARG HG3 H 1.704 0.020 2
1471 142 142 ARG HD2 H 3.167 0.020 1
1472 142 142 ARG HD3 H 3.167 0.020 1
1473 142 142 ARG C C 176.918 0.3 1
1474 142 142 ARG CA C 57.224 0.3 1
1475 142 142 ARG CB C 30.317 0.3 1
1476 142 142 ARG CG C 27.178 0.3 1
1477 142 142 ARG CD C 43.362 0.3 1
1478 142 142 ARG N N 121.998 0.3 1
1479 143 143 ALA H H 7.923 0.020 1
1480 143 143 ALA HA H 4.207 0.020 1
1481 143 143 ALA HB H 1.407 0.020 1
1482 143 143 ALA C C 178.376 0.3 1
1483 143 143 ALA CA C 53.303 0.3 1
1484 143 143 ALA CB C 18.612 0.3 1
1485 143 143 ALA N N 122.684 0.3 1
1486 144 144 LEU H H 7.876 0.020 1
1487 144 144 LEU HA H 4.234 0.020 1
1488 144 144 LEU HB2 H 1.576 0.020 2
1489 144 144 LEU HB3 H 1.698 0.020 2
1490 144 144 LEU HG H 1.678 0.020 1
1491 144 144 LEU HD1 H 0.891 0.020 1
1492 144 144 LEU HD2 H 0.838 0.020 1
1493 144 144 LEU C C 177.683 0.3 1
1494 144 144 LEU CA C 55.597 0.3 1
1495 144 144 LEU CB C 42.169 0.3 1
1496 144 144 LEU CG C 26.913 0.3 1
1497 144 144 LEU CD1 C 25.093 0.3 1
1498 144 144 LEU CD2 C 23.329 0.3 1
1499 144 144 LEU N N 119.264 0.3 1
1500 145 145 GLU H H 8.010 0.020 1
1501 145 145 GLU HA H 4.213 0.020 1
1502 145 145 GLU HB2 H 1.962 0.020 2
1503 145 145 GLU HB3 H 2.014 0.020 2
1504 145 145 GLU HG2 H 2.198 0.020 2
1505 145 145 GLU HG3 H 2.284 0.020 2
1506 145 145 GLU C C 176.378 0.3 1
1507 145 145 GLU CA C 56.713 0.3 1
1508 145 145 GLU CB C 30.119 0.3 1
1509 145 145 GLU CG C 36.351 0.3 1
1510 145 145 GLU N N 119.841 0.3 1
1511 146 146 LEU H H 7.962 0.020 1
1512 146 146 LEU HA H 4.297 0.020 1
1513 146 146 LEU HB2 H 1.562 0.020 2
1514 146 146 LEU HB3 H 1.648 0.020 2
1515 146 146 LEU HG H 1.595 0.020 1
1516 146 146 LEU HD1 H 0.884 0.020 1
1517 146 146 LEU HD2 H 0.825 0.020 1
1518 146 146 LEU C C 176.918 0.3 1
1519 146 146 LEU CA C 55.151 0.3 1
1520 146 146 LEU CB C 42.301 0.3 1
1521 146 146 LEU CG C 26.928 0.3 1
1522 146 146 LEU CD1 C 25.106 0.3 1
1523 146 146 LEU CD2 C 23.169 0.3 1
1524 146 146 LEU N N 121.776 0.3 1
1525 147 147 VAL H H 7.815 0.020 1
1526 147 147 VAL HA H 4.353 0.020 1
1527 147 147 VAL HB H 2.037 0.020 1
1528 147 147 VAL HG1 H 0.908 0.020 1
1529 147 147 VAL HG2 H 0.901 0.020 1
1530 147 147 VAL C C 174.160 0.3 1
1531 147 147 VAL CA C 59.838 0.3 1
1532 147 147 VAL CB C 32.598 0.3 1
1533 147 147 VAL CG1 C 21.005 0.3 1
1534 147 147 VAL CG2 C 20.510 0.3 1
1535 147 147 VAL N N 121.369 0.3 1
1536 148 148 PRO HA H 4.376 0.020 1
1537 148 148 PRO HB2 H 1.851 0.020 2
1538 148 148 PRO HB3 H 2.250 0.020 2
1539 148 148 PRO HG2 H 1.927 0.020 2
1540 148 148 PRO HG3 H 2.012 0.020 2
1541 148 148 PRO HD2 H 3.620 0.020 2
1542 148 148 PRO HD3 H 3.830 0.020 2
1543 148 148 PRO CA C 63.103 0.3 1
1544 148 148 PRO CB C 32.014 0.3 1
1545 148 148 PRO CG C 27.393 0.3 1
1546 148 148 PRO CD C 50.935 0.3 1
1547 149 149 ARG H H 8.445 0.020 1
1548 149 149 ARG HA H 4.378 0.020 1
1549 149 149 ARG HB2 H 1.761 0.020 2
1550 149 149 ARG HB3 H 1.831 0.020 2
1551 149 149 ARG HD2 H 3.165 0.020 1
1552 149 149 ARG HD3 H 3.165 0.020 1
1553 149 149 ARG C C 176.995 0.3 1
1554 149 149 ARG CA C 56.347 0.3 1
1555 149 149 ARG CB C 30.784 0.3 1
1556 149 149 ARG CD C 43.325 0.3 1
1557 149 149 ARG N N 121.846 0.3 1
1558 150 150 GLY H H 8.439 0.020 1
1559 150 150 GLY HA2 H 3.952 0.020 1
1560 150 150 GLY HA3 H 3.952 0.020 1
1561 150 150 GLY C C 174.014 0.3 1
1562 150 150 GLY CA C 45.088 0.3 1
1563 150 150 GLY N N 109.882 0.3 1
1564 151 151 SER H H 8.149 0.020 1
1565 151 151 SER HA H 4.454 0.020 1
1566 151 151 SER HB2 H 3.821 0.020 1
1567 151 151 SER HB3 H 3.821 0.020 1
1568 151 151 SER C C 174.617 0.3 1
1569 151 151 SER CA C 58.269 0.3 1
1570 151 151 SER CB C 63.863 0.3 1
1571 151 151 SER N N 115.455 0.3 1
1572 152 152 HIS H H 8.099 0.020 1
1573 152 152 HIS HA H 4.065 0.020 1
1574 152 152 HIS HB2 H 2.015 0.020 1
1575 152 152 HIS HB3 H 2.015 0.020 1
1576 152 152 HIS C C 175.965 0.3 1
1577 152 152 HIS CA C 62.285 0.3 1
1578 152 152 HIS CB C 32.655 0.3 1
1579 152 152 HIS N N 121.149 0.3 1
1580 153 153 HIS H H 8.348 0.020 1
1581 153 153 HIS HA H 4.524 0.020 1
1582 153 153 HIS HB2 H 2.935 0.020 2
1583 153 153 HIS HB3 H 3.010 0.020 2
1584 153 153 HIS C C 176.028 0.3 1
1585 153 153 HIS CA C 56.388 0.3 1
1586 153 153 HIS CB C 30.514 0.3 1
1587 153 153 HIS N N 123.763 0.3 1
stop_
save_
save_assigned_chem_shift_list_1_2
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D 1H-15N NOESY'
'3D 1H-13C NOESY aliphatic'
'3D 1H-13C NOESY aromatic'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name NepR_anti_sigma_factor
_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 3 3 ASP H H 8.360 0.020 1
2 3 3 ASP HA H 4.586 0.020 1
3 3 3 ASP HB2 H 2.497 0.020 2
4 3 3 ASP HB3 H 2.634 0.020 2
5 3 3 ASP C C 175.426 0.3 1
6 3 3 ASP CA C 53.846 0.3 1
7 3 3 ASP CB C 41.124 0.3 1
8 3 3 ASP N N 122.013 0.3 1
9 4 4 LEU H H 8.107 0.020 1
10 4 4 LEU HA H 4.593 0.020 1
11 4 4 LEU HB2 H 1.526 0.020 2
12 4 4 LEU HB3 H 1.565 0.020 2
13 4 4 LEU HD1 H 0.918 0.020 1
14 4 4 LEU HD2 H 0.888 0.020 1
15 4 4 LEU CA C 52.936 0.3 1
16 4 4 LEU CB C 41.770 0.3 1
17 4 4 LEU N N 123.673 0.3 1
18 5 5 PRO HA H 4.367 0.020 1
19 5 5 PRO HB2 H 2.274 0.020 1
20 5 5 PRO HB3 H 2.274 0.020 1
21 5 5 PRO HG2 H 1.990 0.020 2
22 5 5 PRO HG3 H 2.018 0.020 2
23 5 5 PRO HD2 H 3.800 0.020 2
24 5 5 PRO HD3 H 3.639 0.020 2
25 5 5 PRO CA C 63.531 0.3 1
26 5 5 PRO CB C 31.807 0.3 1
27 5 5 PRO CG C 27.372 0.3 1
28 5 5 PRO CD C 50.566 0.3 1
29 6 6 GLY H H 8.412 0.020 1
30 6 6 GLY HA2 H 3.923 0.020 1
31 6 6 GLY HA3 H 3.923 0.020 1
32 6 6 GLY C C 174.204 0.3 1
33 6 6 GLY CA C 45.368 0.3 1
34 6 6 GLY N N 108.470 0.3 1
35 7 7 ASN H H 8.173 0.020 1
36 7 7 ASN HA H 4.655 0.020 1
37 7 7 ASN HB2 H 2.775 0.020 2
38 7 7 ASN HB3 H 2.823 0.020 2
39 7 7 ASN HD21 H 7.625 0.020 1
40 7 7 ASN HD22 H 6.918 0.020 1
41 7 7 ASN C C 175.692 0.3 1
42 7 7 ASN CA C 53.475 0.3 1
43 7 7 ASN CB C 38.900 0.3 1
44 7 7 ASN N N 118.687 0.3 1
45 7 7 ASN ND2 N 112.644 0.3 1
46 8 8 LYS H H 8.279 0.020 1
47 8 8 LYS C C 176.401 0.3 1
48 8 8 LYS CA C 56.785 0.3 1
49 8 8 LYS CB C 32.645 0.3 1
50 8 8 LYS N N 121.405 0.3 1
51 9 9 ASP H H 8.203 0.020 1
52 9 9 ASP HA H 4.546 0.020 1
53 9 9 ASP HB2 H 2.593 0.020 2
54 9 9 ASP HB3 H 2.685 0.020 2
55 9 9 ASP C C 176.380 0.3 1
56 9 9 ASP CA C 54.393 0.3 1
57 9 9 ASP CB C 41.121 0.3 1
58 9 9 ASP N N 120.472 0.3 1
59 10 10 LYS H H 8.134 0.020 1
60 10 10 LYS HA H 4.234 0.020 1
61 10 10 LYS HB2 H 1.830 0.020 1
62 10 10 LYS HB3 H 1.830 0.020 1
63 10 10 LYS C C 176.819 0.3 1
64 10 10 LYS CA C 56.434 0.3 1
65 10 10 LYS CB C 32.708 0.3 1
66 10 10 LYS N N 121.832 0.3 1
67 11 11 LYS H H 8.248 0.020 1
68 11 11 LYS HA H 4.216 0.020 1
69 11 11 LYS C C 176.659 0.3 1
70 11 11 LYS CA C 56.667 0.3 1
71 11 11 LYS CB C 32.704 0.3 1
72 11 11 LYS N N 121.835 0.3 1
73 12 12 ALA H H 8.216 0.020 1
74 12 12 ALA HA H 4.289 0.020 1
75 12 12 ALA HB H 1.381 0.020 1
76 12 12 ALA C C 177.932 0.3 1
77 12 12 ALA CA C 52.578 0.3 1
78 12 12 ALA CB C 19.255 0.3 1
79 12 12 ALA N N 124.879 0.3 1
80 13 13 SER H H 8.236 0.020 1
81 13 13 SER HA H 4.437 0.020 1
82 13 13 SER HB2 H 3.888 0.020 2
83 13 13 SER HB3 H 3.843 0.020 2
84 13 13 SER C C 174.743 0.3 1
85 13 13 SER CA C 58.371 0.3 1
86 13 13 SER CB C 63.783 0.3 1
87 13 13 SER N N 114.878 0.3 1
88 15 15 LYS H H 8.219 0.020 1
89 15 15 LYS HA H 4.237 0.020 1
90 15 15 LYS HB2 H 1.753 0.020 2
91 15 15 LYS HB3 H 1.829 0.020 2
92 15 15 LYS HG2 H 1.388 0.020 2
93 15 15 LYS HG3 H 1.426 0.020 2
94 15 15 LYS HD2 H 1.651 0.020 1
95 15 15 LYS HD3 H 1.651 0.020 1
96 15 15 LYS C C 176.334 0.3 1
97 15 15 LYS CA C 56.543 0.3 1
98 15 15 LYS CB C 32.769 0.3 1
99 15 15 LYS CG C 24.700 0.3 1
100 15 15 LYS CD C 29.025 0.3 1
101 15 15 LYS N N 123.130 0.3 1
102 16 16 LYS H H 8.256 0.020 1
103 16 16 LYS C C 176.341 0.3 1
104 16 16 LYS CA C 55.883 0.3 1
105 16 16 LYS CB C 33.040 0.3 1
106 16 16 LYS N N 122.779 0.3 1
107 17 17 SER H H 8.331 0.020 1
108 17 17 SER HA H 4.325 0.020 1
109 17 17 SER HB2 H 3.845 0.020 2
110 17 17 SER HB3 H 3.791 0.020 2
111 17 17 SER C C 172.585 0.3 1
112 17 17 SER CA C 55.976 0.3 1
113 17 17 SER CB C 63.318 0.3 1
114 17 17 SER N N 119.025 0.3 1
115 18 18 PRO HA H 4.400 0.020 1
116 18 18 PRO HB2 H 1.904 0.020 2
117 18 18 PRO HB3 H 2.275 0.020 2
118 18 18 PRO HG2 H 1.993 0.020 1
119 18 18 PRO HG3 H 1.993 0.020 1
120 18 18 PRO HD2 H 3.674 0.020 2
121 18 18 PRO HD3 H 3.778 0.020 2
122 18 18 PRO CA C 63.136 0.3 1
123 18 18 PRO CB C 31.987 0.3 1
124 18 18 PRO CG C 27.281 0.3 1
125 18 18 PRO CD C 50.778 0.3 1
126 19 19 ALA H H 8.269 0.020 1
127 19 19 ALA HA H 4.236 0.020 1
128 19 19 ALA HB H 1.337 0.020 1
129 19 19 ALA C C 177.651 0.3 1
130 19 19 ALA CA C 52.376 0.3 1
131 19 19 ALA CB C 19.176 0.3 1
132 19 19 ALA N N 124.279 0.3 1
133 20 20 LYS H H 8.248 0.020 1
134 20 20 LYS HA H 4.298 0.020 1
135 20 20 LYS HB2 H 1.709 0.020 2
136 20 20 LYS HB3 H 1.773 0.020 2
137 20 20 LYS HG2 H 1.381 0.020 2
138 20 20 LYS HG3 H 1.428 0.020 2
139 20 20 LYS HD2 H 1.645 0.020 1
140 20 20 LYS HD3 H 1.645 0.020 1
141 20 20 LYS HE2 H 2.950 0.020 1
142 20 20 LYS HE3 H 2.950 0.020 1
143 20 20 LYS C C 176.473 0.3 1
144 20 20 LYS CA C 56.169 0.3 1
145 20 20 LYS CB C 32.979 0.3 1
146 20 20 LYS CG C 29.000 0.3 1
147 20 20 LYS CD C 28.995 0.3 1
148 20 20 LYS CE C 42.026 0.3 1
149 20 20 LYS N N 120.932 0.3 1
150 21 21 VAL H H 8.125 0.020 1
151 21 21 VAL HA H 4.070 0.020 1
152 21 21 VAL HB H 2.013 0.020 1
153 21 21 VAL HG1 H 0.890 0.020 1
154 21 21 VAL HG2 H 0.905 0.020 1
155 21 21 VAL C C 175.993 0.3 1
156 21 21 VAL CA C 62.129 0.3 1
157 21 21 VAL CB C 32.790 0.3 1
158 21 21 VAL CG1 C 21.112 0.3 1
159 21 21 VAL CG2 C 20.577 0.3 1
160 21 21 VAL N N 121.877 0.3 1
161 22 22 GLN H H 8.517 0.020 1
162 22 22 GLN HA H 4.369 0.020 1
163 22 22 GLN HB2 H 1.952 0.020 2
164 22 22 GLN HB3 H 2.081 0.020 2
165 22 22 GLN HG2 H 2.339 0.020 1
166 22 22 GLN HG3 H 2.339 0.020 1
167 22 22 GLN HE21 H 7.538 0.020 1
168 22 22 GLN HE22 H 6.818 0.020 1
169 22 22 GLN C C 175.871 0.3 1
170 22 22 GLN CA C 55.548 0.3 1
171 22 22 GLN CB C 29.585 0.3 1
172 22 22 GLN CG C 33.705 0.3 1
173 22 22 GLN N N 124.587 0.3 1
174 22 22 GLN NE2 N 112.252 0.3 1
175 23 23 SER H H 8.397 0.020 1
176 23 23 SER HA H 4.396 0.020 1
177 23 23 SER HB2 H 3.890 0.020 2
178 23 23 SER HB3 H 3.826 0.020 2
179 23 23 SER C C 174.940 0.3 1
180 23 23 SER CA C 58.344 0.3 1
181 23 23 SER CB C 63.719 0.3 1
182 23 23 SER N N 117.746 0.3 1
183 24 24 LYS H H 8.483 0.020 1
184 24 24 LYS HA H 4.273 0.020 1
185 24 24 LYS HB2 H 1.747 0.020 2
186 24 24 LYS HB3 H 1.832 0.020 2
187 24 24 LYS HG2 H 1.382 0.020 2
188 24 24 LYS HG3 H 1.427 0.020 2
189 24 24 LYS HD2 H 1.644 0.020 1
190 24 24 LYS HD3 H 1.644 0.020 1
191 24 24 LYS HE2 H 2.657 0.020 1
192 24 24 LYS HE3 H 2.657 0.020 1
193 24 24 LYS C C 176.597 0.3 1
194 24 24 LYS CA C 57.039 0.3 1
195 24 24 LYS CB C 32.618 0.3 1
196 24 24 LYS CG C 24.659 0.3 1
197 24 24 LYS CD C 24.671 0.3 1
198 24 24 LYS N N 123.103 0.3 1
199 25 25 ASP H H 8.314 0.020 1
200 25 25 ASP HA H 4.436 0.020 1
201 25 25 ASP HB2 H 2.595 0.020 2
202 25 25 ASP HB3 H 2.595 0.020 2
203 25 25 ASP C C 176.404 0.3 1
204 25 25 ASP CA C 55.057 0.3 1
205 25 25 ASP CB C 40.908 0.3 1
206 25 25 ASP N N 119.685 0.3 1
207 26 26 ARG H H 8.049 0.020 1
208 26 26 ARG HA H 4.200 0.020 1
209 26 26 ARG HB2 H 1.852 0.020 2
210 26 26 ARG HB3 H 1.771 0.020 2
211 26 26 ARG HG2 H 1.622 0.020 2
212 26 26 ARG HG3 H 1.558 0.020 2
213 26 26 ARG HD2 H 3.150 0.020 1
214 26 26 ARG HD3 H 3.150 0.020 1
215 26 26 ARG C C 176.240 0.3 1
216 26 26 ARG CA C 56.717 0.3 1
217 26 26 ARG CB C 30.282 0.3 1
218 26 26 ARG CG C 27.044 0.3 1
219 26 26 ARG CD C 43.314 0.3 1
220 26 26 ARG N N 120.347 0.3 1
221 27 27 ASP H H 8.126 0.020 1
222 27 27 ASP HA H 4.591 0.020 1
223 27 27 ASP HB2 H 2.785 0.020 2
224 27 27 ASP HB3 H 2.685 0.020 2
225 27 27 ASP C C 177.118 0.3 1
226 27 27 ASP CA C 54.541 0.3 1
227 27 27 ASP CB C 41.077 0.3 1
228 27 27 ASP N N 120.620 0.3 1
229 28 28 MET H H 8.607 0.020 1
230 28 28 MET HA H 4.392 0.020 1
231 28 28 MET HB2 H 1.895 0.020 2
232 28 28 MET HB3 H 2.130 0.020 2
233 28 28 MET HG2 H 2.472 0.020 2
234 28 28 MET HG3 H 2.530 0.020 2
235 28 28 MET HE H 1.989 0.020 1
236 28 28 MET C C 178.263 0.3 1
237 28 28 MET CA C 56.829 0.3 1
238 28 28 MET CB C 31.520 0.3 1
239 28 28 MET CG C 32.072 0.3 1
240 28 28 MET CE C 16.796 0.3 1
241 28 28 MET N N 122.891 0.3 1
242 29 29 GLY H H 8.641 0.020 1
243 29 29 GLY HA2 H 3.953 0.020 2
244 29 29 GLY HA3 H 3.324 0.020 2
245 29 29 GLY C C 175.260 0.3 1
246 29 29 GLY CA C 48.237 0.3 1
247 29 29 GLY N N 107.365 0.3 1
248 30 30 ALA H H 7.972 0.020 1
249 30 30 ALA HA H 3.971 0.020 1
250 30 30 ALA HB H 1.435 0.020 1
251 30 30 ALA C C 180.548 0.3 1
252 30 30 ALA CA C 54.957 0.3 1
253 30 30 ALA CB C 18.068 0.3 1
254 30 30 ALA N N 123.752 0.3 1
255 31 31 ALA H H 7.939 0.020 1
256 31 31 ALA HA H 4.098 0.020 1
257 31 31 ALA HB H 1.482 0.020 1
258 31 31 ALA C C 181.104 0.3 1
259 31 31 ALA CA C 55.114 0.3 1
260 31 31 ALA CB C 18.059 0.3 1
261 31 31 ALA N N 121.802 0.3 1
262 32 32 LEU H H 8.307 0.020 1
263 32 32 LEU HA H 4.009 0.020 1
264 32 32 LEU HB2 H 1.742 0.020 2
265 32 32 LEU HB3 H 1.925 0.020 2
266 32 32 LEU HD1 H 0.913 0.020 1
267 32 32 LEU HD2 H 0.828 0.020 1
268 32 32 LEU C C 178.190 0.3 1
269 32 32 LEU CA C 57.940 0.3 1
270 32 32 LEU CB C 41.814 0.3 1
271 32 32 LEU CD1 C 22.748 0.3 1
272 32 32 LEU CD2 C 26.106 0.3 1
273 32 32 LEU N N 119.688 0.3 1
274 33 33 ARG H H 8.423 0.020 1
275 33 33 ARG HA H 3.838 0.020 1
276 33 33 ARG HB2 H 1.858 0.020 2
277 33 33 ARG HB3 H 2.021 0.020 2
278 33 33 ARG HG2 H 1.457 0.020 1
279 33 33 ARG HG3 H 1.457 0.020 1
280 33 33 ARG HD2 H 2.488 0.020 1
281 33 33 ARG HD3 H 2.488 0.020 1
282 33 33 ARG C C 180.166 0.3 1
283 33 33 ARG CA C 61.569 0.3 1
284 33 33 ARG CB C 30.611 0.3 1
285 33 33 ARG N N 116.246 0.3 1
286 34 34 SER H H 8.117 0.020 1
287 34 34 SER HA H 4.252 0.020 1
288 34 34 SER HB2 H 3.932 0.020 2
289 34 34 SER HB3 H 3.960 0.020 2
290 34 34 SER C C 176.666 0.3 1
291 34 34 SER CA C 61.557 0.3 1
292 34 34 SER CB C 62.846 0.3 1
293 34 34 SER N N 113.170 0.3 1
294 35 35 ALA H H 7.705 0.020 1
295 35 35 ALA HA H 3.933 0.020 1
296 35 35 ALA HB H 1.050 0.020 1
297 35 35 ALA C C 178.921 0.3 1
298 35 35 ALA CA C 54.458 0.3 1
299 35 35 ALA CB C 17.949 0.3 1
300 35 35 ALA N N 122.963 0.3 1
301 36 36 TYR H H 7.203 0.020 1
302 36 36 TYR HA H 3.929 0.020 1
303 36 36 TYR HB2 H 2.917 0.020 2
304 36 36 TYR HB3 H 2.979 0.020 2
305 36 36 TYR HD1 H 7.101 0.020 1
306 36 36 TYR HD2 H 7.101 0.020 1
307 36 36 TYR HE1 H 6.566 0.020 1
308 36 36 TYR HE2 H 6.566 0.020 1
309 36 36 TYR C C 175.716 0.3 1
310 36 36 TYR CA C 57.752 0.3 1
311 36 36 TYR CB C 38.555 0.3 1
312 36 36 TYR N N 112.831 0.3 1
313 37 37 GLN H H 7.208 0.020 1
314 37 37 GLN HA H 4.158 0.020 1
315 37 37 GLN HB2 H 2.494 0.020 2
316 37 37 GLN HB3 H 1.934 0.020 2
317 37 37 GLN HG2 H 2.454 0.020 2
318 37 37 GLN HG3 H 2.266 0.020 2
319 37 37 GLN HE21 H 7.890 0.020 1
320 37 37 GLN HE22 H 6.723 0.020 1
321 37 37 GLN C C 177.510 0.3 1
322 37 37 GLN CA C 58.648 0.3 1
323 37 37 GLN CB C 28.301 0.3 1
324 37 37 GLN CG C 32.605 0.3 1
325 37 37 GLN N N 121.418 0.3 1
326 37 37 GLN NE2 N 112.080 0.3 1
327 38 38 LYS H H 8.443 0.020 1
328 38 38 LYS HA H 3.985 0.020 1
329 38 38 LYS HB2 H 1.807 0.020 2
330 38 38 LYS HB3 H 1.825 0.020 2
331 38 38 LYS HG2 H 1.539 0.020 2
332 38 38 LYS HG3 H 1.470 0.020 2
333 38 38 LYS HD2 H 1.675 0.020 1
334 38 38 LYS HD3 H 1.675 0.020 1
335 38 38 LYS HE2 H 2.968 0.020 1
336 38 38 LYS HE3 H 2.968 0.020 1
337 38 38 LYS C C 179.007 0.3 1
338 38 38 LYS CA C 59.160 0.3 1
339 38 38 LYS CB C 31.695 0.3 1
340 38 38 LYS CG C 25.051 0.3 1
341 38 38 LYS CD C 28.720 0.3 1
342 38 38 LYS CE C 42.088 0.3 1
343 38 38 LYS N N 117.107 0.3 1
344 39 39 THR H H 7.610 0.020 1
345 39 39 THR HA H 3.800 0.020 1
346 39 39 THR HB H 3.996 0.020 1
347 39 39 THR HG2 H 1.072 0.020 1
348 39 39 THR C C 175.621 0.3 1
349 39 39 THR CA C 67.238 0.3 1
350 39 39 THR CB C 69.537 0.3 1
351 39 39 THR CG2 C 22.503 0.3 1
352 39 39 THR N N 113.151 0.3 1
353 40 40 ILE H H 7.132 0.020 1
354 40 40 ILE HA H 3.749 0.020 1
355 40 40 ILE HB H 1.899 0.020 1
356 40 40 ILE HG12 H 1.475 0.020 2
357 40 40 ILE HG13 H 1.290 0.020 2
358 40 40 ILE HG2 H 0.683 0.020 1
359 40 40 ILE HD1 H 0.569 0.020 1
360 40 40 ILE C C 176.415 0.3 1
361 40 40 ILE CA C 61.895 0.3 1
362 40 40 ILE CB C 36.414 0.3 1
363 40 40 ILE CG1 C 27.284 0.3 1
364 40 40 ILE CG2 C 18.774 0.3 1
365 40 40 ILE CD1 C 13.178 0.3 1
366 40 40 ILE N N 114.958 0.3 1
367 41 41 GLU H H 7.117 0.020 1
368 41 41 GLU HA H 4.127 0.020 1
369 41 41 GLU HB2 H 1.902 0.020 2
370 41 41 GLU HB3 H 2.117 0.020 2
371 41 41 GLU HG2 H 2.387 0.020 1
372 41 41 GLU HG3 H 2.387 0.020 1
373 41 41 GLU C C 176.616 0.3 1
374 41 41 GLU CA C 56.205 0.3 1
375 41 41 GLU CB C 30.398 0.3 1
376 41 41 GLU CG C 36.510 0.3 1
377 41 41 GLU N N 118.462 0.3 1
378 42 42 GLU H H 7.057 0.020 1
379 42 42 GLU HA H 4.138 0.020 1
380 42 42 GLU HB2 H 1.985 0.020 1
381 42 42 GLU HB3 H 1.985 0.020 1
382 42 42 GLU HG2 H 2.416 0.020 2
383 42 42 GLU HG3 H 2.480 0.020 2
384 42 42 GLU C C 176.811 0.3 1
385 42 42 GLU CA C 56.154 0.3 1
386 42 42 GLU CB C 30.896 0.3 1
387 42 42 GLU CG C 36.385 0.3 1
388 42 42 GLU N N 120.052 0.3 1
389 43 43 GLN H H 8.557 0.020 1
390 43 43 GLN HA H 4.114 0.020 1
391 43 43 GLN HB2 H 1.961 0.020 2
392 43 43 GLN HB3 H 1.916 0.020 2
393 43 43 GLN HG2 H 2.364 0.020 1
394 43 43 GLN HG3 H 2.364 0.020 1
395 43 43 GLN HE21 H 7.717 0.020 1
396 43 43 GLN HE22 H 6.824 0.020 1
397 43 43 GLN C C 176.198 0.3 1
398 43 43 GLN CA C 55.861 0.3 1
399 43 43 GLN CB C 28.830 0.3 1
400 43 43 GLN CG C 33.659 0.3 1
401 43 43 GLN N N 123.751 0.3 1
402 43 43 GLN NE2 N 113.215 0.3 1
403 44 44 VAL H H 8.584 0.020 1
404 44 44 VAL HA H 3.938 0.020 1
405 44 44 VAL HB H 1.949 0.020 1
406 44 44 VAL HG1 H 0.959 0.020 1
407 44 44 VAL HG2 H 0.761 0.020 1
408 44 44 VAL C C 173.781 0.3 1
409 44 44 VAL CA C 61.374 0.3 1
410 44 44 VAL CB C 32.050 0.3 1
411 44 44 VAL CG1 C 22.218 0.3 1
412 44 44 VAL CG2 C 22.425 0.3 1
413 44 44 VAL N N 126.691 0.3 1
414 45 45 PRO HA H 4.329 0.020 1
415 45 45 PRO HB2 H 2.550 0.020 2
416 45 45 PRO HB3 H 2.537 0.020 2
417 45 45 PRO HG2 H 2.073 0.020 2
418 45 45 PRO HG3 H 1.951 0.020 2
419 45 45 PRO HD2 H 3.955 0.020 2
420 45 45 PRO HD3 H 3.743 0.020 2
421 45 45 PRO C C 177.782 0.3 1
422 45 45 PRO CA C 63.158 0.3 1
423 45 45 PRO CB C 33.342 0.3 1
424 45 45 PRO CG C 28.010 0.3 1
425 45 45 PRO CD C 51.255 0.3 1
426 46 46 ASP H H 8.856 0.020 1
427 46 46 ASP HA H 4.220 0.020 1
428 46 46 ASP HB2 H 2.538 0.020 2
429 46 46 ASP HB3 H 2.673 0.020 2
430 46 46 ASP C C 177.904 0.3 1
431 46 46 ASP CA C 58.082 0.3 1
432 46 46 ASP CB C 40.505 0.3 1
433 46 46 ASP N N 125.229 0.3 1
434 47 47 GLU H H 9.414 0.020 1
435 47 47 GLU HA H 4.140 0.020 1
436 47 47 GLU HB2 H 1.953 0.020 1
437 47 47 GLU HB3 H 1.953 0.020 1
438 47 47 GLU HG2 H 2.240 0.020 2
439 47 47 GLU HG3 H 2.280 0.020 2
440 47 47 GLU C C 179.690 0.3 1
441 47 47 GLU CA C 59.409 0.3 1
442 47 47 GLU CB C 28.722 0.3 1
443 47 47 GLU CG C 36.230 0.3 1
444 47 47 GLU N N 116.850 0.3 1
445 48 48 MET H H 7.424 0.020 1
446 48 48 MET HA H 4.040 0.020 1
447 48 48 MET HB2 H 1.579 0.020 1
448 48 48 MET HB3 H 1.579 0.020 1
449 48 48 MET HG2 H 2.582 0.020 1
450 48 48 MET HG3 H 2.582 0.020 1
451 48 48 MET HE H 2.131 0.020 1
452 48 48 MET C C 177.155 0.3 1
453 48 48 MET CA C 59.219 0.3 1
454 48 48 MET CB C 31.918 0.3 1
455 48 48 MET CG C 35.282 0.3 1
456 48 48 MET CE C 18.714 0.3 1
457 48 48 MET N N 115.509 0.3 1
458 49 49 LEU H H 7.509 0.020 1
459 49 49 LEU HA H 3.883 0.020 1
460 49 49 LEU HB2 H 1.510 0.020 2
461 49 49 LEU HB3 H 1.871 0.020 2
462 49 49 LEU HG H 0.905 0.020 1
463 49 49 LEU HD1 H 0.869 0.020 1
464 49 49 LEU HD2 H 0.768 0.020 1
465 49 49 LEU C C 179.486 0.3 1
466 49 49 LEU CA C 57.948 0.3 1
467 49 49 LEU CB C 40.524 0.3 1
468 49 49 LEU CG C 25.294 0.3 1
469 49 49 LEU CD1 C 23.472 0.3 1
470 49 49 LEU CD2 C 22.491 0.3 1
471 49 49 LEU N N 120.007 0.3 1
472 50 50 ASP H H 8.412 0.020 1
473 50 50 ASP HA H 4.331 0.020 1
474 50 50 ASP HB2 H 2.539 0.020 2
475 50 50 ASP HB3 H 2.660 0.020 2
476 50 50 ASP C C 178.881 0.3 1
477 50 50 ASP CA C 57.361 0.3 1
478 50 50 ASP CB C 40.975 0.3 1
479 50 50 ASP N N 118.443 0.3 1
480 51 51 LEU H H 6.918 0.020 1
481 51 51 LEU HA H 3.986 0.020 1
482 51 51 LEU HB2 H 1.193 0.020 2
483 51 51 LEU HB3 H 2.034 0.020 2
484 51 51 LEU HG H 1.933 0.020 1
485 51 51 LEU HD1 H 0.984 0.020 1
486 51 51 LEU HD2 H 0.872 0.020 1
487 51 51 LEU C C 178.678 0.3 1
488 51 51 LEU CA C 58.075 0.3 1
489 51 51 LEU CB C 42.422 0.3 1
490 51 51 LEU CG C 27.317 0.3 1
491 51 51 LEU CD1 C 27.138 0.3 1
492 51 51 LEU CD2 C 23.863 0.3 1
493 51 51 LEU N N 118.483 0.3 1
494 52 52 LEU H H 7.700 0.020 1
495 52 52 LEU HA H 3.876 0.020 1
496 52 52 LEU HB2 H 1.975 0.020 2
497 52 52 LEU HB3 H 1.376 0.020 2
498 52 52 LEU HG H 1.825 0.020 1
499 52 52 LEU HD1 H 0.876 0.020 1
500 52 52 LEU HD2 H 0.732 0.020 1
501 52 52 LEU C C 180.304 0.3 1
502 52 52 LEU CA C 58.043 0.3 1
503 52 52 LEU CB C 40.890 0.3 1
504 52 52 LEU CG C 26.206 0.3 1
505 52 52 LEU CD1 C 23.615 0.3 1
506 52 52 LEU CD2 C 25.747 0.3 1
507 52 52 LEU N N 116.807 0.3 1
508 53 53 ASN H H 8.103 0.020 1
509 53 53 ASN HA H 4.434 0.020 1
510 53 53 ASN HB2 H 2.928 0.020 2
511 53 53 ASN HB3 H 2.844 0.020 2
512 53 53 ASN HD21 H 7.699 0.020 1
513 53 53 ASN HD22 H 6.783 0.020 1
514 53 53 ASN C C 177.479 0.3 1
515 53 53 ASN CA C 55.288 0.3 1
516 53 53 ASN CB C 37.923 0.3 1
517 53 53 ASN N N 117.281 0.3 1
518 53 53 ASN ND2 N 112.248 0.3 1
519 54 54 LYS H H 7.549 0.020 1
520 54 54 LYS HA H 4.198 0.020 1
521 54 54 LYS HB2 H 1.689 0.020 2
522 54 54 LYS HB3 H 1.614 0.020 2
523 54 54 LYS HG2 H 1.509 0.020 2
524 54 54 LYS HG3 H 1.727 0.020 2
525 54 54 LYS HE2 H 2.931 0.020 1
526 54 54 LYS HE3 H 2.931 0.020 1
527 54 54 LYS C C 177.907 0.3 1
528 54 54 LYS CA C 57.932 0.3 1
529 54 54 LYS CB C 32.590 0.3 1
530 54 54 LYS CG C 25.773 0.3 1
531 54 54 LYS CE C 42.181 0.3 1
532 54 54 LYS N N 118.878 0.3 1
533 55 55 LEU H H 7.461 0.020 1
534 55 55 LEU HA H 4.496 0.020 1
535 55 55 LEU HB2 H 1.886 0.020 2
536 55 55 LEU HB3 H 1.385 0.020 2
537 55 55 LEU HG H 1.791 0.020 1
538 55 55 LEU HD1 H 0.766 0.020 1
539 55 55 LEU HD2 H 0.736 0.020 1
540 55 55 LEU C C 176.584 0.3 1
541 55 55 LEU CA C 53.840 0.3 1
542 55 55 LEU CB C 40.800 0.3 1
543 55 55 LEU CG C 25.408 0.3 1
544 55 55 LEU CD1 C 23.875 0.3 1
545 55 55 LEU N N 120.666 0.3 1
546 56 56 ALA H H 7.630 0.020 1
547 56 56 ALA HA H 4.374 0.020 1
548 56 56 ALA HB H 1.437 0.020 1
549 56 56 ALA C C 177.003 0.3 1
550 56 56 ALA CA C 52.737 0.3 1
551 56 56 ALA CB C 18.967 0.3 1
552 56 56 ALA N N 124.628 0.3 1
553 57 57 LEU H H 7.573 0.020 1
554 57 57 LEU HA H 4.348 0.020 1
555 57 57 LEU HB2 H 1.749 0.020 2
556 57 57 LEU HB3 H 1.614 0.020 2
557 57 57 LEU HD1 H 0.890 0.020 1
558 57 57 LEU C C 175.812 0.3 1
559 57 57 LEU CA C 55.147 0.3 1
560 57 57 LEU CB C 42.248 0.3 1
561 57 57 LEU CD1 C 24.320 0.3 1
562 57 57 LEU N N 119.043 0.3 1
563 58 58 GLU H H 8.292 0.020 1
564 58 58 GLU HA H 4.431 0.020 1
565 58 58 GLU HB2 H 1.851 0.020 2
566 58 58 GLU HB3 H 2.007 0.020 2
567 58 58 GLU HG2 H 2.252 0.020 2
568 58 58 GLU HG3 H 2.290 0.020 2
569 58 58 GLU C C 176.211 0.3 1
570 58 58 GLU CA C 55.288 0.3 1
571 58 58 GLU CB C 30.453 0.3 1
572 58 58 GLU CG C 35.593 0.3 1
573 58 58 GLU N N 120.784 0.3 1
574 59 59 LEU H H 8.569 0.020 1
575 59 59 LEU HA H 4.440 0.020 1
576 59 59 LEU HB2 H 1.575 0.020 2
577 59 59 LEU HB3 H 1.624 0.020 2
578 59 59 LEU HD2 H 0.958 0.020 1
579 59 59 LEU C C 176.758 0.3 1
580 59 59 LEU CA C 55.124 0.3 1
581 59 59 LEU CB C 42.304 0.3 1
582 59 59 LEU CD2 C 25.265 0.3 1
583 59 59 LEU N N 124.198 0.3 1
584 60 60 VAL H H 8.087 0.020 1
585 60 60 VAL HA H 4.429 0.020 1
586 60 60 VAL HB H 2.083 0.020 1
587 60 60 VAL HG1 H 0.940 0.020 1
588 60 60 VAL HG2 H 0.976 0.020 1
589 60 60 VAL C C 174.215 0.3 1
590 60 60 VAL CA C 59.799 0.3 1
591 60 60 VAL CB C 32.682 0.3 1
592 60 60 VAL CG1 C 20.360 0.3 1
593 60 60 VAL CG2 C 21.058 0.3 1
594 60 60 VAL N N 122.364 0.3 1
595 61 61 PRO HA H 4.414 0.020 1
596 61 61 PRO HB2 H 2.286 0.020 1
597 61 61 PRO HB3 H 2.286 0.020 1
598 61 61 PRO HG2 H 1.981 0.020 2
599 61 61 PRO HG3 H 2.053 0.020 2
600 61 61 PRO HD2 H 3.685 0.020 2
601 61 61 PRO HD3 H 3.858 0.020 2
602 61 61 PRO CA C 63.324 0.3 1
603 61 61 PRO CB C 32.053 0.3 1
604 61 61 PRO CG C 27.357 0.3 1
605 61 61 PRO CD C 51.081 0.3 1
606 62 62 ARG H H 7.951 0.020 1
607 62 62 ARG HA H 4.151 0.020 1
608 62 62 ARG HB2 H 1.700 0.020 1
609 62 62 ARG HB3 H 1.700 0.020 1
610 62 62 ARG HG2 H 1.621 0.020 1
611 62 62 ARG HG3 H 1.621 0.020 1
612 62 62 ARG HD2 H 3.183 0.020 1
613 62 62 ARG HD3 H 3.183 0.020 1
614 62 62 ARG C C 181.116 0.3 1
615 62 62 ARG CA C 57.397 0.3 1
616 62 62 ARG CB C 31.671 0.3 1
617 62 62 ARG CG C 27.235 0.3 1
618 62 62 ARG CD C 43.528 0.3 1
619 62 62 ARG N N 126.605 0.3 1
stop_
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